USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 SER OG : rot 180:sc= -0.282 USER MOD Set 1.2: A 91 HIS : no HE2:sc= -2.44 X(o=-2.7,f=-2.9!) USER MOD Single : A 19 THR OG1 : rot -160:sc= -0.693 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 80:sc= 0.461 USER MOD Single : A 29 GLN : amide:sc= -2.41 K(o=-2.4,f=-0.31!) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.54) USER MOD Single : A 44 MET CE :methyl -150:sc= -4.8! (180deg=-5.82!) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0124 K(o=-0.012,f=-0.78) USER MOD Single : A 61 GLN : amide:sc= 0.00447 X(o=0.0045,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -126:sc= 0.0785 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0795 X(o=-0.079,f=0) USER MOD Single : A 81 SER OG : rot -100:sc= -2.28 USER MOD Single : A 82 GLN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 83 THR OG1 : rot 102:sc= 0.457 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 17 -6.050 9.099 3.332 1.00 0.00 N ATOM 187 CA PHE A 17 -6.532 8.104 2.381 1.00 0.00 C ATOM 188 C PHE A 17 -6.705 6.746 3.055 1.00 0.00 C ATOM 189 O PHE A 17 -7.724 6.078 2.876 1.00 0.00 O ATOM 190 CB PHE A 17 -5.565 7.983 1.203 1.00 0.00 C ATOM 191 CG PHE A 17 -5.282 9.292 0.521 1.00 0.00 C ATOM 192 CD1 PHE A 17 -4.266 10.117 0.973 1.00 0.00 C ATOM 193 CD2 PHE A 17 -6.033 9.694 -0.571 1.00 0.00 C ATOM 194 CE1 PHE A 17 -4.003 11.322 0.347 1.00 0.00 C ATOM 195 CE2 PHE A 17 -5.775 10.898 -1.201 1.00 0.00 C ATOM 196 CZ PHE A 17 -4.759 11.712 -0.740 1.00 0.00 C ATOM 0 HA PHE A 17 -7.504 8.432 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.626 7.556 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.978 7.285 0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.672 9.816 1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.829 9.061 -0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.207 11.957 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.367 11.201 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.556 12.653 -1.230 1.00 0.00 H new ATOM 206 N ILE A 18 -5.703 6.345 3.830 1.00 0.00 N ATOM 207 CA ILE A 18 -5.744 5.067 4.532 1.00 0.00 C ATOM 208 C ILE A 18 -5.515 5.256 6.028 1.00 0.00 C ATOM 209 O ILE A 18 -4.571 5.929 6.442 1.00 0.00 O ATOM 210 CB ILE A 18 -4.687 4.090 3.982 1.00 0.00 C ATOM 211 CG1 ILE A 18 -4.766 4.025 2.455 1.00 0.00 C ATOM 212 CG2 ILE A 18 -4.879 2.707 4.587 1.00 0.00 C ATOM 213 CD1 ILE A 18 -3.733 3.109 1.835 1.00 0.00 C ATOM 0 H ILE A 18 -4.853 6.886 3.988 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.736 4.647 4.368 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.698 4.453 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.761 3.687 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.640 5.029 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.125 2.028 4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.778 2.767 5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.872 2.334 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.848 3.112 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.734 3.459 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.872 2.096 2.212 1.00 0.00 H new ATOM 225 N THR A 19 -6.384 4.654 6.834 1.00 0.00 N ATOM 226 CA THR A 19 -6.275 4.755 8.285 1.00 0.00 C ATOM 227 C THR A 19 -5.685 3.478 8.876 1.00 0.00 C ATOM 228 O THR A 19 -5.319 2.557 8.147 1.00 0.00 O ATOM 229 CB THR A 19 -7.648 5.030 8.902 1.00 0.00 C ATOM 230 OG1 THR A 19 -8.579 4.035 8.517 1.00 0.00 O ATOM 231 CG2 THR A 19 -8.221 6.374 8.510 1.00 0.00 C ATOM 0 H THR A 19 -7.170 4.092 6.508 1.00 0.00 H new ATOM 0 HA THR A 19 -5.607 5.584 8.518 1.00 0.00 H new ATOM 0 HB THR A 19 -7.488 5.023 9.980 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.490 4.374 8.640 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.195 6.506 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.549 7.166 8.839 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.333 6.420 7.427 1.00 0.00 H new ATOM 239 N LYS A 20 -5.596 3.432 10.201 1.00 0.00 N ATOM 240 CA LYS A 20 -5.049 2.268 10.889 1.00 0.00 C ATOM 241 C LYS A 20 -6.085 1.151 10.977 1.00 0.00 C ATOM 242 O LYS A 20 -5.744 -0.030 10.911 1.00 0.00 O ATOM 243 CB LYS A 20 -4.580 2.655 12.293 1.00 0.00 C ATOM 244 CG LYS A 20 -3.695 1.608 12.948 1.00 0.00 C ATOM 245 CD LYS A 20 -2.312 1.573 12.319 1.00 0.00 C ATOM 246 CE LYS A 20 -1.520 0.360 12.780 1.00 0.00 C ATOM 247 NZ LYS A 20 -0.834 0.606 14.079 1.00 0.00 N ATOM 0 H LYS A 20 -5.895 4.186 10.819 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.197 1.904 10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.035 3.597 12.238 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.452 2.828 12.924 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.606 1.821 14.013 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.162 0.627 12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.405 1.556 11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.770 2.483 12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.189 -0.495 12.879 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.781 0.100 12.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.305 -0.245 14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.176 1.405 13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.541 0.829 14.808 1.00 0.00 H new ATOM 261 N GLU A 21 -7.349 1.532 11.126 1.00 0.00 N ATOM 262 CA GLU A 21 -8.434 0.561 11.222 1.00 0.00 C ATOM 263 C GLU A 21 -8.559 -0.244 9.933 1.00 0.00 C ATOM 264 O GLU A 21 -8.952 -1.411 9.954 1.00 0.00 O ATOM 265 CB GLU A 21 -9.754 1.270 11.525 1.00 0.00 C ATOM 266 CG GLU A 21 -10.052 2.430 10.587 1.00 0.00 C ATOM 267 CD GLU A 21 -11.534 2.595 10.317 1.00 0.00 C ATOM 268 OE1 GLU A 21 -12.106 1.748 9.600 1.00 0.00 O ATOM 269 OE2 GLU A 21 -12.124 3.574 10.822 1.00 0.00 O ATOM 0 H GLU A 21 -7.648 2.506 11.183 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.203 -0.126 12.036 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.567 0.547 11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.731 1.639 12.550 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.660 3.351 11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.530 2.273 9.643 1.00 0.00 H new ATOM 276 N LYS A 22 -8.225 0.385 8.812 1.00 0.00 N ATOM 277 CA LYS A 22 -8.301 -0.274 7.513 1.00 0.00 C ATOM 278 C LYS A 22 -7.184 -1.302 7.358 1.00 0.00 C ATOM 279 O LYS A 22 -7.404 -2.398 6.843 1.00 0.00 O ATOM 280 CB LYS A 22 -8.217 0.760 6.388 1.00 0.00 C ATOM 281 CG LYS A 22 -9.572 1.284 5.942 1.00 0.00 C ATOM 282 CD LYS A 22 -9.440 2.595 5.182 1.00 0.00 C ATOM 283 CE LYS A 22 -10.772 3.322 5.087 1.00 0.00 C ATOM 284 NZ LYS A 22 -11.388 3.179 3.739 1.00 0.00 N ATOM 0 H LYS A 22 -7.899 1.351 8.776 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.258 -0.792 7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.604 1.598 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.710 0.314 5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.060 0.543 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.211 1.430 6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.711 3.234 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.059 2.399 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.454 2.930 5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.625 4.379 5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.294 3.689 3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.749 3.576 3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.552 2.172 3.537 1.00 0.00 H new ATOM 298 N LYS A 23 -5.987 -0.940 7.807 1.00 0.00 N ATOM 299 CA LYS A 23 -4.836 -1.831 7.718 1.00 0.00 C ATOM 300 C LYS A 23 -5.017 -3.048 8.619 1.00 0.00 C ATOM 301 O LYS A 23 -4.631 -4.161 8.260 1.00 0.00 O ATOM 302 CB LYS A 23 -3.556 -1.085 8.101 1.00 0.00 C ATOM 303 CG LYS A 23 -2.991 -0.230 6.979 1.00 0.00 C ATOM 304 CD LYS A 23 -1.739 0.510 7.421 1.00 0.00 C ATOM 305 CE LYS A 23 -2.069 1.634 8.391 1.00 0.00 C ATOM 306 NZ LYS A 23 -0.846 2.200 9.023 1.00 0.00 N ATOM 0 H LYS A 23 -5.789 -0.036 8.236 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.754 -2.174 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.760 -0.450 8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.802 -1.809 8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.759 -0.861 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.743 0.488 6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.050 -0.189 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.230 0.919 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.603 2.424 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.738 1.260 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.114 2.963 9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.349 1.453 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.219 2.581 8.286 1.00 0.00 H new ATOM 320 N ASP A 24 -5.607 -2.828 9.789 1.00 0.00 N ATOM 321 CA ASP A 24 -5.839 -3.907 10.743 1.00 0.00 C ATOM 322 C ASP A 24 -6.725 -4.990 10.136 1.00 0.00 C ATOM 323 O ASP A 24 -6.418 -6.180 10.226 1.00 0.00 O ATOM 324 CB ASP A 24 -6.485 -3.359 12.017 1.00 0.00 C ATOM 325 CG ASP A 24 -6.166 -4.202 13.235 1.00 0.00 C ATOM 326 OD1 ASP A 24 -5.928 -5.417 13.070 1.00 0.00 O ATOM 327 OD2 ASP A 24 -6.153 -3.648 14.355 1.00 0.00 O ATOM 0 H ASP A 24 -5.933 -1.913 10.100 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.875 -4.350 10.993 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.142 -2.338 12.185 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.566 -3.314 11.883 1.00 0.00 H new ATOM 332 N THR A 25 -7.824 -4.572 9.518 1.00 0.00 N ATOM 333 CA THR A 25 -8.756 -5.507 8.896 1.00 0.00 C ATOM 334 C THR A 25 -8.060 -6.343 7.827 1.00 0.00 C ATOM 335 O THR A 25 -8.436 -7.490 7.579 1.00 0.00 O ATOM 336 CB THR A 25 -9.935 -4.750 8.281 1.00 0.00 C ATOM 337 OG1 THR A 25 -10.469 -3.818 9.203 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.062 -5.658 7.841 1.00 0.00 C ATOM 0 H THR A 25 -8.092 -3.591 9.434 1.00 0.00 H new ATOM 0 HA THR A 25 -9.127 -6.179 9.670 1.00 0.00 H new ATOM 0 HB THR A 25 -9.530 -4.247 7.403 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.910 -3.013 9.215 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.866 -5.059 7.414 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.694 -6.358 7.091 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.439 -6.212 8.700 1.00 0.00 H new ATOM 346 N VAL A 26 -7.045 -5.762 7.195 1.00 0.00 N ATOM 347 CA VAL A 26 -6.298 -6.454 6.151 1.00 0.00 C ATOM 348 C VAL A 26 -5.450 -7.579 6.736 1.00 0.00 C ATOM 349 O VAL A 26 -5.452 -8.699 6.228 1.00 0.00 O ATOM 350 CB VAL A 26 -5.383 -5.485 5.378 1.00 0.00 C ATOM 351 CG1 VAL A 26 -4.730 -6.190 4.199 1.00 0.00 C ATOM 352 CG2 VAL A 26 -6.164 -4.265 4.914 1.00 0.00 C ATOM 0 H VAL A 26 -6.721 -4.814 7.388 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.032 -6.875 5.463 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.595 -5.147 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.088 -5.489 3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.132 -7.026 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.501 -6.561 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.500 -3.593 4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.976 -4.580 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.576 -3.746 5.779 1.00 0.00 H new ATOM 362 N LEU A 27 -4.723 -7.271 7.806 1.00 0.00 N ATOM 363 CA LEU A 27 -3.869 -8.256 8.459 1.00 0.00 C ATOM 364 C LEU A 27 -4.693 -9.211 9.318 1.00 0.00 C ATOM 365 O LEU A 27 -4.334 -10.376 9.487 1.00 0.00 O ATOM 366 CB LEU A 27 -2.816 -7.557 9.319 1.00 0.00 C ATOM 367 CG LEU A 27 -2.161 -6.335 8.676 1.00 0.00 C ATOM 368 CD1 LEU A 27 -1.172 -5.692 9.635 1.00 0.00 C ATOM 369 CD2 LEU A 27 -1.472 -6.724 7.377 1.00 0.00 C ATOM 0 H LEU A 27 -4.709 -6.347 8.239 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.369 -8.836 7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.280 -7.250 10.256 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.037 -8.277 9.570 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.939 -5.606 8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.716 -4.824 9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.694 -5.378 10.539 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.396 -6.412 9.895 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.011 -5.843 6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.705 -7.471 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.206 -7.138 6.686 1.00 0.00 H new ATOM 381 N ARG A 28 -5.797 -8.709 9.860 1.00 0.00 N ATOM 382 CA ARG A 28 -6.671 -9.518 10.702 1.00 0.00 C ATOM 383 C ARG A 28 -7.198 -10.728 9.937 1.00 0.00 C ATOM 384 O ARG A 28 -7.444 -11.784 10.519 1.00 0.00 O ATOM 385 CB ARG A 28 -7.840 -8.677 11.217 1.00 0.00 C ATOM 386 CG ARG A 28 -8.536 -9.280 12.426 1.00 0.00 C ATOM 387 CD ARG A 28 -9.956 -8.757 12.570 1.00 0.00 C ATOM 388 NE ARG A 28 -10.717 -8.892 11.330 1.00 0.00 N ATOM 389 CZ ARG A 28 -11.834 -8.217 11.069 1.00 0.00 C ATOM 390 NH1 ARG A 28 -12.322 -7.359 11.957 1.00 0.00 N ATOM 391 NH2 ARG A 28 -12.464 -8.398 9.917 1.00 0.00 N ATOM 0 H ARG A 28 -6.108 -7.746 9.732 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.087 -9.874 11.551 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.475 -7.683 11.476 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.567 -8.551 10.415 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.555 -10.366 12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.969 -9.048 13.327 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.463 -9.300 13.368 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.928 -7.708 12.866 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.372 -9.541 10.623 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.840 -7.214 12.844 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.178 -6.844 11.752 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.093 -9.055 9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.320 -7.881 9.717 1.00 0.00 H new ATOM 405 N GLN A 29 -7.369 -10.566 8.628 1.00 0.00 N ATOM 406 CA GLN A 29 -7.867 -11.646 7.784 1.00 0.00 C ATOM 407 C GLN A 29 -6.745 -12.610 7.413 1.00 0.00 C ATOM 408 O GLN A 29 -6.974 -13.806 7.237 1.00 0.00 O ATOM 409 CB GLN A 29 -8.506 -11.076 6.515 1.00 0.00 C ATOM 410 CG GLN A 29 -9.811 -10.340 6.769 1.00 0.00 C ATOM 411 CD GLN A 29 -10.792 -10.483 5.623 1.00 0.00 C ATOM 412 OE1 GLN A 29 -11.833 -11.127 5.758 1.00 0.00 O ATOM 413 NE2 GLN A 29 -10.465 -9.882 4.486 1.00 0.00 N ATOM 0 H GLN A 29 -7.170 -9.698 8.130 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.621 -12.195 8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.801 -10.395 6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.688 -11.890 5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.267 -10.721 7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.602 -9.283 6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.592 -9.359 4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.087 -9.943 3.680 1.00 0.00 H new ATOM 422 N VAL A 30 -5.531 -12.080 7.295 1.00 0.00 N ATOM 423 CA VAL A 30 -4.373 -12.893 6.945 1.00 0.00 C ATOM 424 C VAL A 30 -3.889 -13.703 8.142 1.00 0.00 C ATOM 425 O VAL A 30 -3.486 -14.858 8.000 1.00 0.00 O ATOM 426 CB VAL A 30 -3.213 -12.023 6.423 1.00 0.00 C ATOM 427 CG1 VAL A 30 -2.080 -12.896 5.904 1.00 0.00 C ATOM 428 CG2 VAL A 30 -3.703 -11.074 5.340 1.00 0.00 C ATOM 0 H VAL A 30 -5.325 -11.091 7.437 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.690 -13.573 6.155 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.830 -11.427 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.271 -12.263 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.711 -13.530 6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.446 -13.521 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.870 -10.468 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.114 -11.650 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.476 -10.424 5.749 1.00 0.00 H new ATOM 438 N ARG A 31 -3.929 -13.091 9.321 1.00 0.00 N ATOM 439 CA ARG A 31 -3.494 -13.756 10.544 1.00 0.00 C ATOM 440 C ARG A 31 -4.325 -15.008 10.809 1.00 0.00 C ATOM 441 O ARG A 31 -3.831 -15.985 11.372 1.00 0.00 O ATOM 442 CB ARG A 31 -3.597 -12.800 11.734 1.00 0.00 C ATOM 443 CG ARG A 31 -2.305 -12.053 12.030 1.00 0.00 C ATOM 444 CD ARG A 31 -2.519 -10.946 13.052 1.00 0.00 C ATOM 445 NE ARG A 31 -1.628 -11.082 14.202 1.00 0.00 N ATOM 446 CZ ARG A 31 -1.848 -11.915 15.218 1.00 0.00 C ATOM 447 NH1 ARG A 31 -2.924 -12.693 15.227 1.00 0.00 N ATOM 448 NH2 ARG A 31 -0.989 -11.971 16.226 1.00 0.00 N ATOM 0 H ARG A 31 -4.258 -12.135 9.455 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.453 -14.054 10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.389 -12.076 11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.891 -13.365 12.619 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.557 -12.753 12.402 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.911 -11.626 11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.354 -9.978 12.578 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.555 -10.962 13.392 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.787 -10.505 14.228 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.587 -12.655 14.453 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.087 -13.329 16.008 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.160 -11.376 16.223 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.157 -12.609 17.004 1.00 0.00 H new ATOM 462 N LEU A 32 -5.589 -14.971 10.401 1.00 0.00 N ATOM 463 CA LEU A 32 -6.488 -16.102 10.594 1.00 0.00 C ATOM 464 C LEU A 32 -6.191 -17.213 9.592 1.00 0.00 C ATOM 465 O LEU A 32 -5.765 -18.305 9.967 1.00 0.00 O ATOM 466 CB LEU A 32 -7.944 -15.653 10.459 1.00 0.00 C ATOM 467 CG LEU A 32 -8.576 -15.106 11.741 1.00 0.00 C ATOM 468 CD1 LEU A 32 -9.563 -13.996 11.418 1.00 0.00 C ATOM 469 CD2 LEU A 32 -9.260 -16.222 12.516 1.00 0.00 C ATOM 0 H LEU A 32 -6.014 -14.170 9.934 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.327 -16.493 11.599 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.001 -14.885 9.688 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.538 -16.498 10.112 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.785 -14.690 12.365 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.002 -13.619 12.342 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.044 -13.185 10.906 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.351 -14.386 10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.704 -15.815 13.425 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.040 -16.668 11.899 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.527 -16.984 12.780 1.00 0.00 H new ATOM 481 N ASP A 33 -6.418 -16.925 8.314 1.00 0.00 N ATOM 482 CA ASP A 33 -6.176 -17.899 7.255 1.00 0.00 C ATOM 483 C ASP A 33 -5.106 -17.397 6.289 1.00 0.00 C ATOM 484 O ASP A 33 -5.418 -16.763 5.280 1.00 0.00 O ATOM 485 CB ASP A 33 -7.470 -18.189 6.495 1.00 0.00 C ATOM 486 CG ASP A 33 -8.290 -19.286 7.145 1.00 0.00 C ATOM 487 OD1 ASP A 33 -8.398 -19.288 8.390 1.00 0.00 O ATOM 488 OD2 ASP A 33 -8.823 -20.143 6.411 1.00 0.00 O ATOM 0 H ASP A 33 -6.769 -16.025 7.987 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.820 -18.820 7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.067 -17.278 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.230 -18.477 5.471 1.00 0.00 H new ATOM 493 N PRO A 34 -3.824 -17.676 6.584 1.00 0.00 N ATOM 494 CA PRO A 34 -2.707 -17.250 5.733 1.00 0.00 C ATOM 495 C PRO A 34 -2.899 -17.666 4.278 1.00 0.00 C ATOM 496 O PRO A 34 -2.995 -18.853 3.969 1.00 0.00 O ATOM 497 CB PRO A 34 -1.501 -17.970 6.340 1.00 0.00 C ATOM 498 CG PRO A 34 -1.877 -18.205 7.761 1.00 0.00 C ATOM 499 CD PRO A 34 -3.363 -18.428 7.766 1.00 0.00 C ATOM 0 HA PRO A 34 -2.603 -16.165 5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.299 -18.908 5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.598 -17.364 6.264 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.351 -19.070 8.165 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.609 -17.350 8.382 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.611 -19.487 7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.822 -18.057 8.683 1.00 0.00 H new ATOM 507 N CYS A 35 -2.955 -16.680 3.388 1.00 0.00 N ATOM 508 CA CYS A 35 -3.137 -16.944 1.966 1.00 0.00 C ATOM 509 C CYS A 35 -1.890 -16.556 1.177 1.00 0.00 C ATOM 510 O CYS A 35 -1.122 -17.417 0.748 1.00 0.00 O ATOM 511 CB CYS A 35 -4.350 -16.179 1.435 1.00 0.00 C ATOM 512 SG CYS A 35 -5.903 -17.099 1.533 1.00 0.00 S ATOM 0 H CYS A 35 -2.877 -15.691 3.627 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.307 -18.013 1.839 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.454 -15.250 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.167 -15.905 0.396 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.870 -16.369 1.063 1.00 0.00 H new ATOM 518 N ASP A 36 -1.694 -15.255 0.990 1.00 0.00 N ATOM 519 CA ASP A 36 -0.540 -14.753 0.253 1.00 0.00 C ATOM 520 C ASP A 36 -0.523 -13.228 0.244 1.00 0.00 C ATOM 521 O ASP A 36 -1.530 -12.584 0.542 1.00 0.00 O ATOM 522 CB ASP A 36 -0.552 -15.282 -1.181 1.00 0.00 C ATOM 523 CG ASP A 36 0.845 -15.462 -1.742 1.00 0.00 C ATOM 524 OD1 ASP A 36 1.716 -15.981 -1.013 1.00 0.00 O ATOM 525 OD2 ASP A 36 1.069 -15.085 -2.912 1.00 0.00 O ATOM 0 H ASP A 36 -2.320 -14.529 1.339 1.00 0.00 H new ATOM 0 HA ASP A 36 0.361 -15.107 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.078 -16.236 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.109 -14.593 -1.815 1.00 0.00 H new ATOM 530 N LEU A 37 0.626 -12.655 -0.099 1.00 0.00 N ATOM 531 CA LEU A 37 0.772 -11.205 -0.147 1.00 0.00 C ATOM 532 C LEU A 37 1.730 -10.788 -1.260 1.00 0.00 C ATOM 533 O LEU A 37 2.337 -9.718 -1.199 1.00 0.00 O ATOM 534 CB LEU A 37 1.276 -10.679 1.198 1.00 0.00 C ATOM 535 CG LEU A 37 0.531 -11.216 2.423 1.00 0.00 C ATOM 536 CD1 LEU A 37 1.273 -10.850 3.699 1.00 0.00 C ATOM 537 CD2 LEU A 37 -0.892 -10.678 2.458 1.00 0.00 C ATOM 0 H LEU A 37 1.469 -13.172 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.207 -10.774 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.333 -10.929 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.204 -9.591 1.196 1.00 0.00 H new ATOM 0 HG LEU A 37 0.486 -12.303 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.730 -11.239 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.273 -11.282 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.348 -9.765 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.408 -11.069 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.868 -9.589 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.421 -10.989 1.557 1.00 0.00 H new ATOM 549 N GLN A 38 1.862 -11.636 -2.275 1.00 0.00 N ATOM 550 CA GLN A 38 2.749 -11.350 -3.399 1.00 0.00 C ATOM 551 C GLN A 38 2.014 -10.580 -4.495 1.00 0.00 C ATOM 552 O GLN A 38 2.484 -9.536 -4.949 1.00 0.00 O ATOM 553 CB GLN A 38 3.325 -12.649 -3.967 1.00 0.00 C ATOM 554 CG GLN A 38 4.809 -12.568 -4.280 1.00 0.00 C ATOM 555 CD GLN A 38 5.648 -12.245 -3.059 1.00 0.00 C ATOM 556 OE1 GLN A 38 6.044 -13.137 -2.310 1.00 0.00 O ATOM 557 NE2 GLN A 38 5.923 -10.962 -2.854 1.00 0.00 N ATOM 0 H GLN A 38 1.367 -12.525 -2.343 1.00 0.00 H new ATOM 0 HA GLN A 38 3.567 -10.729 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.156 -13.455 -3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.784 -12.910 -4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.139 -13.517 -4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.974 -11.806 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.574 -10.256 -3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.484 -10.683 -2.049 1.00 0.00 H new ATOM 566 N PRO A 39 0.849 -11.084 -4.940 1.00 0.00 N ATOM 567 CA PRO A 39 0.057 -10.431 -5.989 1.00 0.00 C ATOM 568 C PRO A 39 -0.210 -8.962 -5.682 1.00 0.00 C ATOM 569 O PRO A 39 -0.382 -8.148 -6.591 1.00 0.00 O ATOM 570 CB PRO A 39 -1.252 -11.223 -5.993 1.00 0.00 C ATOM 571 CG PRO A 39 -0.884 -12.564 -5.461 1.00 0.00 C ATOM 572 CD PRO A 39 0.210 -12.323 -4.457 1.00 0.00 C ATOM 0 HA PRO A 39 0.573 -10.432 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.007 -10.743 -5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.668 -11.296 -6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.742 -13.048 -4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.542 -13.221 -6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.188 -12.204 -3.449 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.916 -13.153 -4.424 1.00 0.00 H new ATOM 580 N ILE A 40 -0.245 -8.628 -4.396 1.00 0.00 N ATOM 581 CA ILE A 40 -0.492 -7.257 -3.969 1.00 0.00 C ATOM 582 C ILE A 40 0.763 -6.403 -4.102 1.00 0.00 C ATOM 583 O ILE A 40 0.683 -5.194 -4.321 1.00 0.00 O ATOM 584 CB ILE A 40 -0.980 -7.203 -2.508 1.00 0.00 C ATOM 585 CG1 ILE A 40 -2.105 -8.216 -2.284 1.00 0.00 C ATOM 586 CG2 ILE A 40 -1.448 -5.798 -2.157 1.00 0.00 C ATOM 587 CD1 ILE A 40 -2.546 -8.318 -0.841 1.00 0.00 C ATOM 0 H ILE A 40 -0.105 -9.289 -3.632 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.270 -6.860 -4.621 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.148 -7.462 -1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.961 -7.938 -2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.773 -9.197 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.790 -5.776 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.622 -5.098 -2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.268 -5.512 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.345 -9.054 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.702 -8.626 -0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.909 -7.348 -0.502 1.00 0.00 H new ATOM 599 N PHE A 41 1.924 -7.036 -3.966 1.00 0.00 N ATOM 600 CA PHE A 41 3.196 -6.330 -4.070 1.00 0.00 C ATOM 601 C PHE A 41 3.665 -6.259 -5.520 1.00 0.00 C ATOM 602 O PHE A 41 4.076 -5.201 -5.997 1.00 0.00 O ATOM 603 CB PHE A 41 4.257 -7.022 -3.210 1.00 0.00 C ATOM 604 CG PHE A 41 4.489 -6.349 -1.888 1.00 0.00 C ATOM 605 CD1 PHE A 41 5.243 -5.188 -1.810 1.00 0.00 C ATOM 606 CD2 PHE A 41 3.954 -6.876 -0.724 1.00 0.00 C ATOM 607 CE1 PHE A 41 5.457 -4.566 -0.595 1.00 0.00 C ATOM 608 CE2 PHE A 41 4.166 -6.259 0.494 1.00 0.00 C ATOM 609 CZ PHE A 41 4.919 -5.102 0.559 1.00 0.00 C ATOM 0 H PHE A 41 2.010 -8.036 -3.784 1.00 0.00 H new ATOM 0 HA PHE A 41 3.049 -5.313 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.955 -8.054 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.196 -7.054 -3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.668 -4.765 -2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.364 -7.780 -0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.045 -3.661 -0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.744 -6.680 1.394 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.086 -4.618 1.510 1.00 0.00 H new ATOM 619 N ASP A 42 3.606 -7.390 -6.213 1.00 0.00 N ATOM 620 CA ASP A 42 4.029 -7.454 -7.609 1.00 0.00 C ATOM 621 C ASP A 42 3.228 -6.487 -8.477 1.00 0.00 C ATOM 622 O ASP A 42 3.669 -6.103 -9.561 1.00 0.00 O ATOM 623 CB ASP A 42 3.878 -8.880 -8.142 1.00 0.00 C ATOM 624 CG ASP A 42 5.159 -9.681 -8.020 1.00 0.00 C ATOM 625 OD1 ASP A 42 6.171 -9.279 -8.634 1.00 0.00 O ATOM 626 OD2 ASP A 42 5.152 -10.710 -7.313 1.00 0.00 O ATOM 0 H ASP A 42 3.270 -8.275 -5.833 1.00 0.00 H new ATOM 0 HA ASP A 42 5.078 -7.161 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.082 -9.387 -7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.574 -8.844 -9.188 1.00 0.00 H new ATOM 631 N ASP A 43 2.048 -6.098 -8.001 1.00 0.00 N ATOM 632 CA ASP A 43 1.192 -5.180 -8.745 1.00 0.00 C ATOM 633 C ASP A 43 1.320 -3.754 -8.215 1.00 0.00 C ATOM 634 O ASP A 43 1.138 -2.788 -8.957 1.00 0.00 O ATOM 635 CB ASP A 43 -0.267 -5.635 -8.667 1.00 0.00 C ATOM 636 CG ASP A 43 -1.178 -4.806 -9.550 1.00 0.00 C ATOM 637 OD1 ASP A 43 -1.276 -5.112 -10.757 1.00 0.00 O ATOM 638 OD2 ASP A 43 -1.794 -3.849 -9.035 1.00 0.00 O ATOM 0 H ASP A 43 1.664 -6.403 -7.107 1.00 0.00 H new ATOM 0 HA ASP A 43 1.516 -5.189 -9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.334 -6.682 -8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.610 -5.571 -7.634 1.00 0.00 H new ATOM 643 N MET A 44 1.628 -3.627 -6.929 1.00 0.00 N ATOM 644 CA MET A 44 1.774 -2.316 -6.304 1.00 0.00 C ATOM 645 C MET A 44 3.211 -1.808 -6.405 1.00 0.00 C ATOM 646 O MET A 44 3.466 -0.614 -6.248 1.00 0.00 O ATOM 647 CB MET A 44 1.345 -2.379 -4.837 1.00 0.00 C ATOM 648 CG MET A 44 -0.157 -2.525 -4.649 1.00 0.00 C ATOM 649 SD MET A 44 -1.087 -1.176 -5.402 1.00 0.00 S ATOM 650 CE MET A 44 -0.274 0.244 -4.675 1.00 0.00 C ATOM 0 H MET A 44 1.781 -4.414 -6.299 1.00 0.00 H new ATOM 0 HA MET A 44 1.130 -1.618 -6.838 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.847 -3.219 -4.356 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.680 -1.474 -4.330 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.483 -3.471 -5.081 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.383 -2.567 -3.584 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.986 1.064 -4.584 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.105 -0.020 -3.687 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.556 0.553 -5.311 1.00 0.00 H new ATOM 660 N LEU A 45 4.149 -2.717 -6.663 1.00 0.00 N ATOM 661 CA LEU A 45 5.557 -2.353 -6.781 1.00 0.00 C ATOM 662 C LEU A 45 5.752 -1.220 -7.786 1.00 0.00 C ATOM 663 O LEU A 45 6.677 -0.417 -7.659 1.00 0.00 O ATOM 664 CB LEU A 45 6.386 -3.569 -7.200 1.00 0.00 C ATOM 665 CG LEU A 45 6.901 -4.430 -6.046 1.00 0.00 C ATOM 666 CD1 LEU A 45 7.311 -5.805 -6.549 1.00 0.00 C ATOM 667 CD2 LEU A 45 8.068 -3.745 -5.350 1.00 0.00 C ATOM 0 H LEU A 45 3.958 -3.710 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 45 5.896 -2.006 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.781 -4.193 -7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.239 -3.224 -7.785 1.00 0.00 H new ATOM 0 HG LEU A 45 6.095 -4.555 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.675 -6.404 -5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.451 -6.298 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.102 -5.700 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.422 -4.372 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.877 -3.589 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.742 -2.783 -4.955 1.00 0.00 H new ATOM 679 N HIS A 46 4.877 -1.163 -8.784 1.00 0.00 N ATOM 680 CA HIS A 46 4.955 -0.129 -9.809 1.00 0.00 C ATOM 681 C HIS A 46 4.645 1.245 -9.221 1.00 0.00 C ATOM 682 O HIS A 46 5.162 2.261 -9.687 1.00 0.00 O ATOM 683 CB HIS A 46 3.986 -0.438 -10.951 1.00 0.00 C ATOM 684 CG HIS A 46 4.342 0.240 -12.238 1.00 0.00 C ATOM 685 ND1 HIS A 46 5.424 -0.108 -13.016 1.00 0.00 N ATOM 686 CD2 HIS A 46 3.733 1.268 -12.882 1.00 0.00 C ATOM 687 CE1 HIS A 46 5.440 0.701 -14.083 1.00 0.00 C ATOM 688 NE2 HIS A 46 4.434 1.553 -14.051 1.00 0.00 N ATOM 0 H HIS A 46 4.106 -1.820 -8.905 1.00 0.00 H new ATOM 0 HA HIS A 46 5.973 -0.116 -10.199 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.960 -1.516 -11.113 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.981 -0.135 -10.656 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.846 1.783 -12.542 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.181 0.661 -14.868 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.215 2.272 -14.740 1.00 0.00 H new ATOM 696 N PHE A 47 3.800 1.267 -8.196 1.00 0.00 N ATOM 697 CA PHE A 47 3.420 2.516 -7.546 1.00 0.00 C ATOM 698 C PHE A 47 4.506 2.979 -6.581 1.00 0.00 C ATOM 699 O PHE A 47 4.770 4.175 -6.454 1.00 0.00 O ATOM 700 CB PHE A 47 2.098 2.342 -6.798 1.00 0.00 C ATOM 701 CG PHE A 47 0.930 2.067 -7.702 1.00 0.00 C ATOM 702 CD1 PHE A 47 0.756 0.814 -8.270 1.00 0.00 C ATOM 703 CD2 PHE A 47 0.006 3.060 -7.984 1.00 0.00 C ATOM 704 CE1 PHE A 47 -0.317 0.558 -9.101 1.00 0.00 C ATOM 705 CE2 PHE A 47 -1.070 2.809 -8.816 1.00 0.00 C ATOM 706 CZ PHE A 47 -1.232 1.556 -9.374 1.00 0.00 C ATOM 0 H PHE A 47 3.365 0.435 -7.798 1.00 0.00 H new ATOM 0 HA PHE A 47 3.297 3.276 -8.317 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.197 1.522 -6.086 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.895 3.243 -6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.468 0.029 -8.060 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.127 4.041 -7.549 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.441 -0.422 -9.537 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.783 3.592 -9.029 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.072 1.357 -10.022 1.00 0.00 H new ATOM 716 N LEU A 48 5.133 2.023 -5.901 1.00 0.00 N ATOM 717 CA LEU A 48 6.191 2.334 -4.946 1.00 0.00 C ATOM 718 C LEU A 48 7.475 2.732 -5.666 1.00 0.00 C ATOM 719 O LEU A 48 7.649 2.445 -6.850 1.00 0.00 O ATOM 720 CB LEU A 48 6.454 1.131 -4.037 1.00 0.00 C ATOM 721 CG LEU A 48 5.203 0.471 -3.457 1.00 0.00 C ATOM 722 CD1 LEU A 48 5.454 -1.003 -3.183 1.00 0.00 C ATOM 723 CD2 LEU A 48 4.767 1.184 -2.185 1.00 0.00 C ATOM 0 H LEU A 48 4.927 1.028 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 48 5.862 3.176 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.012 0.384 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.093 1.450 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 48 4.400 0.551 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.552 -1.455 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.719 -1.506 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.271 -1.106 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.875 0.702 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.568 1.135 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.545 2.227 -2.410 1.00 0.00 H new ATOM 735 N ASN A 49 8.371 3.395 -4.942 1.00 0.00 N ATOM 736 CA ASN A 49 9.641 3.834 -5.510 1.00 0.00 C ATOM 737 C ASN A 49 10.814 3.155 -4.807 1.00 0.00 C ATOM 738 O ASN A 49 10.651 2.566 -3.739 1.00 0.00 O ATOM 739 CB ASN A 49 9.775 5.354 -5.402 1.00 0.00 C ATOM 740 CG ASN A 49 9.280 6.068 -6.644 1.00 0.00 C ATOM 741 OD1 ASN A 49 8.420 5.561 -7.365 1.00 0.00 O ATOM 742 ND2 ASN A 49 9.825 7.252 -6.903 1.00 0.00 N ATOM 0 H ASN A 49 8.241 3.640 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 49 9.658 3.550 -6.562 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.213 5.705 -4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.820 5.612 -5.230 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.534 7.778 -7.727 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.535 7.634 -6.278 1.00 0.00 H new ATOM 749 N PRO A 50 12.017 3.230 -5.402 1.00 0.00 N ATOM 750 CA PRO A 50 13.221 2.620 -4.827 1.00 0.00 C ATOM 751 C PRO A 50 13.450 3.043 -3.379 1.00 0.00 C ATOM 752 O PRO A 50 13.883 2.244 -2.549 1.00 0.00 O ATOM 753 CB PRO A 50 14.348 3.140 -5.721 1.00 0.00 C ATOM 754 CG PRO A 50 13.689 3.452 -7.019 1.00 0.00 C ATOM 755 CD PRO A 50 12.300 3.914 -6.677 1.00 0.00 C ATOM 0 HA PRO A 50 13.151 1.533 -4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.817 4.026 -5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.132 2.393 -5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.236 4.225 -7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.661 2.573 -7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.252 4.998 -6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.583 3.637 -7.450 1.00 0.00 H new ATOM 763 N GLU A 51 13.157 4.306 -3.085 1.00 0.00 N ATOM 764 CA GLU A 51 13.332 4.837 -1.737 1.00 0.00 C ATOM 765 C GLU A 51 12.291 4.257 -0.784 1.00 0.00 C ATOM 766 O GLU A 51 12.602 3.916 0.357 1.00 0.00 O ATOM 767 CB GLU A 51 13.237 6.365 -1.753 1.00 0.00 C ATOM 768 CG GLU A 51 14.580 7.060 -1.595 1.00 0.00 C ATOM 769 CD GLU A 51 14.747 7.705 -0.233 1.00 0.00 C ATOM 770 OE1 GLU A 51 14.594 6.995 0.783 1.00 0.00 O ATOM 771 OE2 GLU A 51 15.030 8.920 -0.182 1.00 0.00 O ATOM 0 H GLU A 51 12.798 4.980 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 51 14.321 4.546 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.781 6.683 -2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.574 6.688 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.380 6.336 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.684 7.821 -2.368 1.00 0.00 H new ATOM 778 N GLU A 52 11.054 4.151 -1.260 1.00 0.00 N ATOM 779 CA GLU A 52 9.966 3.614 -0.449 1.00 0.00 C ATOM 780 C GLU A 52 10.172 2.127 -0.178 1.00 0.00 C ATOM 781 O GLU A 52 9.833 1.629 0.895 1.00 0.00 O ATOM 782 CB GLU A 52 8.624 3.836 -1.148 1.00 0.00 C ATOM 783 CG GLU A 52 8.322 5.297 -1.435 1.00 0.00 C ATOM 784 CD GLU A 52 6.951 5.501 -2.049 1.00 0.00 C ATOM 785 OE1 GLU A 52 6.646 4.827 -3.056 1.00 0.00 O ATOM 786 OE2 GLU A 52 6.183 6.333 -1.523 1.00 0.00 O ATOM 0 H GLU A 52 10.780 4.430 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 52 9.963 4.141 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.616 3.281 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.828 3.424 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.389 5.867 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.080 5.695 -2.109 1.00 0.00 H new ATOM 793 N LEU A 53 10.729 1.425 -1.159 1.00 0.00 N ATOM 794 CA LEU A 53 10.980 -0.005 -1.027 1.00 0.00 C ATOM 795 C LEU A 53 12.020 -0.281 0.054 1.00 0.00 C ATOM 796 O LEU A 53 12.001 -1.332 0.694 1.00 0.00 O ATOM 797 CB LEU A 53 11.450 -0.586 -2.362 1.00 0.00 C ATOM 798 CG LEU A 53 10.378 -0.660 -3.450 1.00 0.00 C ATOM 799 CD1 LEU A 53 11.017 -0.833 -4.819 1.00 0.00 C ATOM 800 CD2 LEU A 53 9.409 -1.798 -3.166 1.00 0.00 C ATOM 0 H LEU A 53 11.015 1.823 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 53 10.046 -0.485 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.279 0.017 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.838 -1.589 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 53 9.820 0.277 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.238 -0.884 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.671 0.014 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.600 -1.754 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.653 -1.836 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.954 -2.742 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.925 -1.632 -2.203 1.00 0.00 H new ATOM 812 N ARG A 54 12.926 0.670 0.254 1.00 0.00 N ATOM 813 CA ARG A 54 13.975 0.529 1.258 1.00 0.00 C ATOM 814 C ARG A 54 13.377 0.334 2.648 1.00 0.00 C ATOM 815 O ARG A 54 13.904 -0.429 3.458 1.00 0.00 O ATOM 816 CB ARG A 54 14.885 1.759 1.252 1.00 0.00 C ATOM 817 CG ARG A 54 16.023 1.679 2.257 1.00 0.00 C ATOM 818 CD ARG A 54 16.229 3.004 2.973 1.00 0.00 C ATOM 819 NE ARG A 54 17.613 3.183 3.405 1.00 0.00 N ATOM 820 CZ ARG A 54 18.138 2.593 4.477 1.00 0.00 C ATOM 821 NH1 ARG A 54 17.399 1.782 5.225 1.00 0.00 N ATOM 822 NH2 ARG A 54 19.405 2.811 4.800 1.00 0.00 N ATOM 0 H ARG A 54 12.955 1.547 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 54 14.564 -0.353 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.302 1.887 0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.286 2.645 1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.810 0.899 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.942 1.394 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.947 3.822 2.310 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.569 3.054 3.839 1.00 0.00 H new ATOM 0 HE ARG A 54 18.213 3.796 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.424 1.609 4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.806 1.333 6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.978 3.431 4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.807 2.359 5.621 1.00 0.00 H new ATOM 836 N VAL A 55 12.276 1.027 2.916 1.00 0.00 N ATOM 837 CA VAL A 55 11.608 0.929 4.209 1.00 0.00 C ATOM 838 C VAL A 55 10.899 -0.412 4.363 1.00 0.00 C ATOM 839 O VAL A 55 10.772 -0.935 5.470 1.00 0.00 O ATOM 840 CB VAL A 55 10.584 2.063 4.399 1.00 0.00 C ATOM 841 CG1 VAL A 55 10.045 2.064 5.821 1.00 0.00 C ATOM 842 CG2 VAL A 55 11.206 3.408 4.056 1.00 0.00 C ATOM 0 H VAL A 55 11.827 1.662 2.256 1.00 0.00 H new ATOM 0 HA VAL A 55 12.382 1.016 4.971 1.00 0.00 H new ATOM 0 HB VAL A 55 9.750 1.891 3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.323 2.872 5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.558 1.111 6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.867 2.210 6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.467 4.197 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.060 3.591 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.537 3.402 3.018 1.00 0.00 H new ATOM 852 N ILE A 56 10.439 -0.966 3.246 1.00 0.00 N ATOM 853 CA ILE A 56 9.743 -2.246 3.258 1.00 0.00 C ATOM 854 C ILE A 56 10.727 -3.409 3.179 1.00 0.00 C ATOM 855 O ILE A 56 10.473 -4.487 3.717 1.00 0.00 O ATOM 856 CB ILE A 56 8.744 -2.354 2.089 1.00 0.00 C ATOM 857 CG1 ILE A 56 7.869 -1.102 2.020 1.00 0.00 C ATOM 858 CG2 ILE A 56 7.886 -3.601 2.240 1.00 0.00 C ATOM 859 CD1 ILE A 56 6.867 -1.127 0.886 1.00 0.00 C ATOM 0 H ILE A 56 10.536 -0.548 2.321 1.00 0.00 H new ATOM 0 HA ILE A 56 9.197 -2.299 4.200 1.00 0.00 H new ATOM 0 HB ILE A 56 9.304 -2.433 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.335 -0.989 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.509 -0.227 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.185 -3.664 1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.525 -4.484 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.332 -3.550 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.281 -0.208 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.395 -1.208 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.203 -1.983 1.006 1.00 0.00 H new ATOM 871 N GLU A 57 11.849 -3.183 2.505 1.00 0.00 N ATOM 872 CA GLU A 57 12.871 -4.212 2.353 1.00 0.00 C ATOM 873 C GLU A 57 13.400 -4.659 3.713 1.00 0.00 C ATOM 874 O GLU A 57 13.759 -5.822 3.899 1.00 0.00 O ATOM 875 CB GLU A 57 14.022 -3.693 1.488 1.00 0.00 C ATOM 876 CG GLU A 57 14.007 -4.232 0.068 1.00 0.00 C ATOM 877 CD GLU A 57 14.933 -3.467 -0.857 1.00 0.00 C ATOM 878 OE1 GLU A 57 14.489 -2.453 -1.435 1.00 0.00 O ATOM 879 OE2 GLU A 57 16.102 -3.880 -1.003 1.00 0.00 O ATOM 0 H GLU A 57 12.074 -2.296 2.055 1.00 0.00 H new ATOM 0 HA GLU A 57 12.416 -5.072 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.978 -2.604 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.968 -3.960 1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.298 -5.282 0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.991 -4.187 -0.323 1.00 0.00 H new ATOM 886 N GLU A 58 13.445 -3.728 4.660 1.00 0.00 N ATOM 887 CA GLU A 58 13.931 -4.027 6.003 1.00 0.00 C ATOM 888 C GLU A 58 13.063 -5.087 6.673 1.00 0.00 C ATOM 889 O GLU A 58 13.549 -5.886 7.474 1.00 0.00 O ATOM 890 CB GLU A 58 13.956 -2.755 6.854 1.00 0.00 C ATOM 891 CG GLU A 58 15.317 -2.083 6.901 1.00 0.00 C ATOM 892 CD GLU A 58 15.830 -1.897 8.317 1.00 0.00 C ATOM 893 OE1 GLU A 58 15.048 -1.437 9.175 1.00 0.00 O ATOM 894 OE2 GLU A 58 17.012 -2.213 8.566 1.00 0.00 O ATOM 0 H GLU A 58 13.151 -2.761 4.523 1.00 0.00 H new ATOM 0 HA GLU A 58 14.945 -4.417 5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.225 -2.049 6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.646 -3.001 7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.032 -2.680 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.255 -1.111 6.411 1.00 0.00 H new ATOM 901 N ILE A 59 11.776 -5.089 6.341 1.00 0.00 N ATOM 902 CA ILE A 59 10.840 -6.052 6.912 1.00 0.00 C ATOM 903 C ILE A 59 11.014 -7.431 6.277 1.00 0.00 C ATOM 904 O ILE A 59 10.707 -7.621 5.101 1.00 0.00 O ATOM 905 CB ILE A 59 9.382 -5.594 6.723 1.00 0.00 C ATOM 906 CG1 ILE A 59 9.214 -4.146 7.188 1.00 0.00 C ATOM 907 CG2 ILE A 59 8.434 -6.512 7.481 1.00 0.00 C ATOM 908 CD1 ILE A 59 7.974 -3.475 6.637 1.00 0.00 C ATOM 0 H ILE A 59 11.357 -4.435 5.680 1.00 0.00 H new ATOM 0 HA ILE A 59 11.060 -6.115 7.978 1.00 0.00 H new ATOM 0 HB ILE A 59 9.136 -5.646 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.176 -4.125 8.277 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.091 -3.572 6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.408 -6.174 7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.537 -7.531 7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.678 -6.490 8.543 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.919 -2.451 7.008 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.019 -3.465 5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.089 -4.025 6.958 1.00 0.00 H new ATOM 920 N PRO A 60 11.511 -8.418 7.047 1.00 0.00 N ATOM 921 CA PRO A 60 11.719 -9.778 6.542 1.00 0.00 C ATOM 922 C PRO A 60 10.408 -10.534 6.352 1.00 0.00 C ATOM 923 O PRO A 60 10.207 -11.202 5.337 1.00 0.00 O ATOM 924 CB PRO A 60 12.559 -10.435 7.638 1.00 0.00 C ATOM 925 CG PRO A 60 12.191 -9.705 8.881 1.00 0.00 C ATOM 926 CD PRO A 60 11.907 -8.288 8.463 1.00 0.00 C ATOM 0 HA PRO A 60 12.193 -9.781 5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.338 -11.499 7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 60 13.625 -10.347 7.427 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.318 -10.155 9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.001 -9.742 9.609 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.112 -7.844 9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.785 -7.652 8.577 1.00 0.00 H new ATOM 934 N GLN A 61 9.519 -10.424 7.333 1.00 0.00 N ATOM 935 CA GLN A 61 8.227 -11.098 7.274 1.00 0.00 C ATOM 936 C GLN A 61 7.327 -10.459 6.221 1.00 0.00 C ATOM 937 O GLN A 61 7.481 -9.283 5.887 1.00 0.00 O ATOM 938 CB GLN A 61 7.540 -11.053 8.640 1.00 0.00 C ATOM 939 CG GLN A 61 8.200 -11.941 9.682 1.00 0.00 C ATOM 940 CD GLN A 61 7.193 -12.712 10.514 1.00 0.00 C ATOM 941 OE1 GLN A 61 7.317 -13.923 10.695 1.00 0.00 O ATOM 942 NE2 GLN A 61 6.188 -12.012 11.024 1.00 0.00 N ATOM 0 H GLN A 61 9.669 -9.874 8.179 1.00 0.00 H new ATOM 0 HA GLN A 61 8.402 -12.137 6.996 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.535 -10.025 9.001 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.499 -11.355 8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.868 -12.644 9.184 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.815 -11.327 10.340 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.124 -11.009 10.849 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.479 -12.477 11.592 1.00 0.00 H new ATOM 951 N ALA A 62 6.387 -11.241 5.700 1.00 0.00 N ATOM 952 CA ALA A 62 5.461 -10.752 4.685 1.00 0.00 C ATOM 953 C ALA A 62 4.255 -10.072 5.325 1.00 0.00 C ATOM 954 O ALA A 62 3.754 -9.068 4.818 1.00 0.00 O ATOM 955 CB ALA A 62 5.010 -11.895 3.789 1.00 0.00 C ATOM 0 H ALA A 62 6.246 -12.216 5.964 1.00 0.00 H new ATOM 0 HA ALA A 62 5.983 -10.012 4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.319 -11.516 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.877 -12.336 3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.510 -12.654 4.391 1.00 0.00 H new ATOM 961 N GLU A 63 3.794 -10.626 6.441 1.00 0.00 N ATOM 962 CA GLU A 63 2.646 -10.075 7.152 1.00 0.00 C ATOM 963 C GLU A 63 2.911 -8.635 7.580 1.00 0.00 C ATOM 964 O GLU A 63 2.001 -7.805 7.601 1.00 0.00 O ATOM 965 CB GLU A 63 2.320 -10.932 8.377 1.00 0.00 C ATOM 966 CG GLU A 63 0.831 -11.132 8.599 1.00 0.00 C ATOM 967 CD GLU A 63 0.524 -12.385 9.396 1.00 0.00 C ATOM 968 OE1 GLU A 63 0.539 -12.314 10.643 1.00 0.00 O ATOM 969 OE2 GLU A 63 0.269 -13.438 8.774 1.00 0.00 O ATOM 0 H GLU A 63 4.198 -11.457 6.873 1.00 0.00 H new ATOM 0 HA GLU A 63 1.792 -10.082 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.797 -11.906 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.752 -10.465 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.425 -10.265 9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.328 -11.187 7.634 1.00 0.00 H new ATOM 976 N ASP A 64 4.162 -8.345 7.923 1.00 0.00 N ATOM 977 CA ASP A 64 4.546 -7.006 8.352 1.00 0.00 C ATOM 978 C ASP A 64 4.811 -6.102 7.152 1.00 0.00 C ATOM 979 O ASP A 64 4.638 -4.886 7.228 1.00 0.00 O ATOM 980 CB ASP A 64 5.788 -7.068 9.243 1.00 0.00 C ATOM 981 CG ASP A 64 5.469 -7.541 10.648 1.00 0.00 C ATOM 982 OD1 ASP A 64 5.449 -8.770 10.869 1.00 0.00 O ATOM 983 OD2 ASP A 64 5.239 -6.683 11.525 1.00 0.00 O ATOM 0 H ASP A 64 4.927 -9.020 7.912 1.00 0.00 H new ATOM 0 HA ASP A 64 3.718 -6.586 8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.520 -7.739 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.247 -6.081 9.291 1.00 0.00 H new ATOM 988 N LYS A 65 5.233 -6.704 6.043 1.00 0.00 N ATOM 989 CA LYS A 65 5.521 -5.952 4.827 1.00 0.00 C ATOM 990 C LYS A 65 4.292 -5.178 4.359 1.00 0.00 C ATOM 991 O LYS A 65 4.392 -4.018 3.959 1.00 0.00 O ATOM 992 CB LYS A 65 6.000 -6.896 3.721 1.00 0.00 C ATOM 993 CG LYS A 65 7.481 -6.759 3.404 1.00 0.00 C ATOM 994 CD LYS A 65 8.176 -8.111 3.378 1.00 0.00 C ATOM 995 CE LYS A 65 9.159 -8.212 2.222 1.00 0.00 C ATOM 996 NZ LYS A 65 8.628 -9.049 1.111 1.00 0.00 N ATOM 0 H LYS A 65 5.383 -7.710 5.962 1.00 0.00 H new ATOM 0 HA LYS A 65 6.312 -5.236 5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.794 -7.924 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.424 -6.704 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.603 -6.268 2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.955 -6.120 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.703 -8.268 4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.431 -8.902 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.383 -7.213 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.097 -8.637 2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.328 -9.092 0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.438 -10.010 1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.746 -8.630 0.752 1.00 0.00 H new ATOM 1010 N LEU A 66 3.134 -5.828 4.413 1.00 0.00 N ATOM 1011 CA LEU A 66 1.887 -5.199 3.994 1.00 0.00 C ATOM 1012 C LEU A 66 1.566 -3.991 4.868 1.00 0.00 C ATOM 1013 O LEU A 66 1.047 -2.984 4.387 1.00 0.00 O ATOM 1014 CB LEU A 66 0.738 -6.208 4.056 1.00 0.00 C ATOM 1015 CG LEU A 66 -0.427 -5.923 3.108 1.00 0.00 C ATOM 1016 CD1 LEU A 66 0.052 -5.904 1.665 1.00 0.00 C ATOM 1017 CD2 LEU A 66 -1.529 -6.956 3.293 1.00 0.00 C ATOM 0 H LEU A 66 3.033 -6.788 4.742 1.00 0.00 H new ATOM 0 HA LEU A 66 2.008 -4.858 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.133 -7.199 3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.357 -6.239 5.077 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.834 -4.940 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.791 -5.700 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.806 -5.127 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.485 -6.872 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.350 -6.738 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.135 -7.950 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.892 -6.921 4.320 1.00 0.00 H new ATOM 1029 N ASP A 67 1.879 -4.100 6.155 1.00 0.00 N ATOM 1030 CA ASP A 67 1.625 -3.017 7.099 1.00 0.00 C ATOM 1031 C ASP A 67 2.377 -1.753 6.695 1.00 0.00 C ATOM 1032 O ASP A 67 1.923 -0.640 6.954 1.00 0.00 O ATOM 1033 CB ASP A 67 2.034 -3.439 8.511 1.00 0.00 C ATOM 1034 CG ASP A 67 1.129 -2.849 9.575 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -0.079 -2.682 9.302 1.00 0.00 O ATOM 1036 OD2 ASP A 67 1.627 -2.555 10.682 1.00 0.00 O ATOM 0 H ASP A 67 2.309 -4.927 6.568 1.00 0.00 H new ATOM 0 HA ASP A 67 0.557 -2.800 7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.014 -4.526 8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.061 -3.126 8.698 1.00 0.00 H new ATOM 1041 N ARG A 68 3.532 -1.934 6.062 1.00 0.00 N ATOM 1042 CA ARG A 68 4.347 -0.807 5.623 1.00 0.00 C ATOM 1043 C ARG A 68 3.899 -0.309 4.253 1.00 0.00 C ATOM 1044 O ARG A 68 3.964 0.886 3.965 1.00 0.00 O ATOM 1045 CB ARG A 68 5.823 -1.207 5.575 1.00 0.00 C ATOM 1046 CG ARG A 68 6.773 -0.063 5.891 1.00 0.00 C ATOM 1047 CD ARG A 68 7.238 -0.108 7.338 1.00 0.00 C ATOM 1048 NE ARG A 68 6.465 0.793 8.189 1.00 0.00 N ATOM 1049 CZ ARG A 68 6.866 1.203 9.390 1.00 0.00 C ATOM 1050 NH1 ARG A 68 8.030 0.798 9.884 1.00 0.00 N ATOM 1051 NH2 ARG A 68 6.102 2.024 10.099 1.00 0.00 N ATOM 0 H ARG A 68 3.924 -2.850 5.842 1.00 0.00 H new ATOM 0 HA ARG A 68 4.219 0.002 6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.995 -2.017 6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.053 -1.597 4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.637 -0.113 5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.277 0.888 5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.151 -1.127 7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.293 0.162 7.388 1.00 0.00 H new ATOM 0 HE ARG A 68 5.566 1.127 7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.623 0.169 9.342 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.331 1.116 10.805 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.208 2.340 9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.409 2.339 11.020 1.00 0.00 H new ATOM 1065 N LEU A 69 3.447 -1.233 3.412 1.00 0.00 N ATOM 1066 CA LEU A 69 2.989 -0.888 2.071 1.00 0.00 C ATOM 1067 C LEU A 69 1.827 0.098 2.128 1.00 0.00 C ATOM 1068 O LEU A 69 1.653 0.922 1.230 1.00 0.00 O ATOM 1069 CB LEU A 69 2.567 -2.149 1.313 1.00 0.00 C ATOM 1070 CG LEU A 69 2.264 -1.940 -0.172 1.00 0.00 C ATOM 1071 CD1 LEU A 69 3.552 -1.793 -0.964 1.00 0.00 C ATOM 1072 CD2 LEU A 69 1.434 -3.095 -0.712 1.00 0.00 C ATOM 0 H LEU A 69 3.388 -2.227 3.635 1.00 0.00 H new ATOM 0 HA LEU A 69 3.817 -0.415 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.359 -2.892 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.682 -2.565 1.794 1.00 0.00 H new ATOM 0 HG LEU A 69 1.688 -1.021 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.316 -1.645 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.111 -0.934 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.154 -2.694 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.227 -2.931 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.985 -4.027 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.494 -3.155 -0.163 1.00 0.00 H new ATOM 1084 N PHE A 70 1.032 0.008 3.189 1.00 0.00 N ATOM 1085 CA PHE A 70 -0.115 0.892 3.363 1.00 0.00 C ATOM 1086 C PHE A 70 0.292 2.187 4.061 1.00 0.00 C ATOM 1087 O PHE A 70 -0.343 3.227 3.880 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.209 0.189 4.168 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.961 -0.847 3.382 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.288 -1.887 2.759 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -3.340 -0.784 3.268 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -1.977 -2.842 2.037 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -4.035 -1.736 2.546 1.00 0.00 C ATOM 1094 CZ PHE A 70 -3.352 -2.767 1.930 1.00 0.00 C ATOM 0 H PHE A 70 1.161 -0.668 3.942 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.501 1.141 2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.759 -0.285 5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.913 0.935 4.537 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.213 -1.951 2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.879 0.019 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.441 -3.647 1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.110 -1.674 2.464 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.892 -3.513 1.366 1.00 0.00 H new ATOM 1104 N GLU A 71 1.352 2.118 4.860 1.00 0.00 N ATOM 1105 CA GLU A 71 1.840 3.286 5.586 1.00 0.00 C ATOM 1106 C GLU A 71 2.379 4.341 4.624 1.00 0.00 C ATOM 1107 O GLU A 71 2.145 5.536 4.803 1.00 0.00 O ATOM 1108 CB GLU A 71 2.930 2.876 6.579 1.00 0.00 C ATOM 1109 CG GLU A 71 2.717 3.429 7.978 1.00 0.00 C ATOM 1110 CD GLU A 71 3.528 4.683 8.238 1.00 0.00 C ATOM 1111 OE1 GLU A 71 4.741 4.679 7.939 1.00 0.00 O ATOM 1112 OE2 GLU A 71 2.951 5.670 8.741 1.00 0.00 O ATOM 0 H GLU A 71 1.889 1.266 5.021 1.00 0.00 H new ATOM 0 HA GLU A 71 1.003 3.718 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.973 1.788 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.896 3.216 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.659 3.649 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.986 2.668 8.711 1.00 0.00 H new ATOM 1119 N ILE A 72 3.103 3.892 3.604 1.00 0.00 N ATOM 1120 CA ILE A 72 3.676 4.798 2.616 1.00 0.00 C ATOM 1121 C ILE A 72 2.613 5.293 1.640 1.00 0.00 C ATOM 1122 O ILE A 72 2.438 6.498 1.456 1.00 0.00 O ATOM 1123 CB ILE A 72 4.809 4.121 1.822 1.00 0.00 C ATOM 1124 CG1 ILE A 72 5.796 3.444 2.775 1.00 0.00 C ATOM 1125 CG2 ILE A 72 5.524 5.138 0.945 1.00 0.00 C ATOM 1126 CD1 ILE A 72 6.826 2.588 2.071 1.00 0.00 C ATOM 0 H ILE A 72 3.307 2.906 3.440 1.00 0.00 H new ATOM 0 HA ILE A 72 4.084 5.646 3.166 1.00 0.00 H new ATOM 0 HB ILE A 72 4.374 3.358 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.309 4.209 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.241 2.825 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.322 4.643 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.814 5.578 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.949 5.923 1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.492 2.140 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.323 1.800 1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.407 3.206 1.386 1.00 0.00 H new ATOM 1138 N ILE A 73 1.908 4.356 1.016 1.00 0.00 N ATOM 1139 CA ILE A 73 0.863 4.698 0.058 1.00 0.00 C ATOM 1140 C ILE A 73 -0.330 5.349 0.751 1.00 0.00 C ATOM 1141 O ILE A 73 -1.067 6.124 0.140 1.00 0.00 O ATOM 1142 CB ILE A 73 0.379 3.454 -0.714 1.00 0.00 C ATOM 1143 CG1 ILE A 73 1.571 2.691 -1.297 1.00 0.00 C ATOM 1144 CG2 ILE A 73 -0.589 3.857 -1.817 1.00 0.00 C ATOM 1145 CD1 ILE A 73 1.177 1.437 -2.045 1.00 0.00 C ATOM 0 H ILE A 73 2.041 3.354 1.156 1.00 0.00 H new ATOM 0 HA ILE A 73 1.300 5.406 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.145 2.797 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.119 3.349 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.252 2.424 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.921 2.968 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.451 4.360 -1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.089 4.533 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.071 0.947 -2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.655 0.759 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.521 1.699 -2.875 1.00 0.00 H new ATOM 1157 N GLY A 74 -0.517 5.029 2.027 1.00 0.00 N ATOM 1158 CA GLY A 74 -1.624 5.593 2.779 1.00 0.00 C ATOM 1159 C GLY A 74 -1.614 7.109 2.785 1.00 0.00 C ATOM 1160 O GLY A 74 -2.658 7.742 2.946 1.00 0.00 O ATOM 0 H GLY A 74 0.078 4.390 2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.564 5.241 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.583 5.229 3.806 1.00 0.00 H new ATOM 1164 N VAL A 75 -0.434 7.694 2.612 1.00 0.00 N ATOM 1165 CA VAL A 75 -0.294 9.146 2.599 1.00 0.00 C ATOM 1166 C VAL A 75 0.295 9.631 1.278 1.00 0.00 C ATOM 1167 O VAL A 75 1.108 10.556 1.251 1.00 0.00 O ATOM 1168 CB VAL A 75 0.593 9.635 3.759 1.00 0.00 C ATOM 1169 CG1 VAL A 75 -0.063 9.338 5.098 1.00 0.00 C ATOM 1170 CG2 VAL A 75 1.974 8.999 3.680 1.00 0.00 C ATOM 0 H VAL A 75 0.440 7.185 2.479 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.294 9.562 2.719 1.00 0.00 H new ATOM 0 HB VAL A 75 0.710 10.715 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.580 9.691 5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.026 9.846 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.214 8.263 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.587 9.356 4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.879 7.915 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.446 9.270 2.736 1.00 0.00 H new ATOM 1180 N LYS A 76 -0.122 9.003 0.183 1.00 0.00 N ATOM 1181 CA LYS A 76 0.365 9.371 -1.141 1.00 0.00 C ATOM 1182 C LYS A 76 -0.725 10.075 -1.944 1.00 0.00 C ATOM 1183 O LYS A 76 -0.637 11.273 -2.211 1.00 0.00 O ATOM 1184 CB LYS A 76 0.851 8.130 -1.894 1.00 0.00 C ATOM 1185 CG LYS A 76 2.135 8.355 -2.673 1.00 0.00 C ATOM 1186 CD LYS A 76 2.384 7.237 -3.672 1.00 0.00 C ATOM 1187 CE LYS A 76 2.840 5.962 -2.981 1.00 0.00 C ATOM 1188 NZ LYS A 76 3.481 5.012 -3.932 1.00 0.00 N ATOM 0 H LYS A 76 -0.796 8.237 0.187 1.00 0.00 H new ATOM 0 HA LYS A 76 1.201 10.059 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.006 7.320 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.071 7.804 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.081 9.308 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.975 8.420 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.471 7.041 -4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.140 7.552 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.544 6.211 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.985 5.480 -2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.011 4.087 -3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.393 5.379 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.487 4.906 -3.692 1.00 0.00 H new ATOM 1202 N SER A 77 -1.750 9.322 -2.329 1.00 0.00 N ATOM 1203 CA SER A 77 -2.857 9.871 -3.101 1.00 0.00 C ATOM 1204 C SER A 77 -3.924 8.812 -3.354 1.00 0.00 C ATOM 1205 O SER A 77 -3.673 7.615 -3.202 1.00 0.00 O ATOM 1206 CB SER A 77 -2.351 10.431 -4.433 1.00 0.00 C ATOM 1207 OG SER A 77 -3.031 11.625 -4.777 1.00 0.00 O ATOM 0 H SER A 77 -1.836 8.328 -2.118 1.00 0.00 H new ATOM 0 HA SER A 77 -3.304 10.679 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.281 10.625 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.492 9.690 -5.219 1.00 0.00 H new ATOM 0 HG SER A 77 -2.688 11.963 -5.631 1.00 0.00 H new ATOM 1213 N GLN A 78 -5.115 9.257 -3.740 1.00 0.00 N ATOM 1214 CA GLN A 78 -6.220 8.346 -4.014 1.00 0.00 C ATOM 1215 C GLN A 78 -5.902 7.442 -5.201 1.00 0.00 C ATOM 1216 O GLN A 78 -6.382 6.312 -5.278 1.00 0.00 O ATOM 1217 CB GLN A 78 -7.502 9.135 -4.287 1.00 0.00 C ATOM 1218 CG GLN A 78 -8.758 8.278 -4.271 1.00 0.00 C ATOM 1219 CD GLN A 78 -9.976 9.020 -4.786 1.00 0.00 C ATOM 1220 OE1 GLN A 78 -10.980 9.149 -4.086 1.00 0.00 O ATOM 1221 NE2 GLN A 78 -9.892 9.513 -6.016 1.00 0.00 N ATOM 0 H GLN A 78 -5.340 10.243 -3.870 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.367 7.719 -3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.600 9.923 -3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.418 9.624 -5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.595 7.389 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.948 7.937 -3.253 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.040 9.382 -6.561 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.680 10.023 -6.416 1.00 0.00 H new ATOM 1230 N GLU A 79 -5.090 7.948 -6.124 1.00 0.00 N ATOM 1231 CA GLU A 79 -4.709 7.185 -7.308 1.00 0.00 C ATOM 1232 C GLU A 79 -3.954 5.917 -6.919 1.00 0.00 C ATOM 1233 O GLU A 79 -4.017 4.906 -7.620 1.00 0.00 O ATOM 1234 CB GLU A 79 -3.848 8.044 -8.238 1.00 0.00 C ATOM 1235 CG GLU A 79 -4.614 8.612 -9.421 1.00 0.00 C ATOM 1236 CD GLU A 79 -4.093 9.969 -9.854 1.00 0.00 C ATOM 1237 OE1 GLU A 79 -3.065 10.012 -10.560 1.00 0.00 O ATOM 1238 OE2 GLU A 79 -4.714 10.989 -9.485 1.00 0.00 O ATOM 0 H GLU A 79 -4.683 8.882 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.619 6.895 -7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.418 8.866 -7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.017 7.444 -8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.549 7.918 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.669 8.698 -9.159 1.00 0.00 H new ATOM 1245 N ALA A 80 -3.238 5.978 -5.801 1.00 0.00 N ATOM 1246 CA ALA A 80 -2.469 4.835 -5.323 1.00 0.00 C ATOM 1247 C ALA A 80 -3.153 4.168 -4.134 1.00 0.00 C ATOM 1248 O ALA A 80 -3.254 2.943 -4.072 1.00 0.00 O ATOM 1249 CB ALA A 80 -1.061 5.267 -4.948 1.00 0.00 C ATOM 0 H ALA A 80 -3.174 6.806 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.412 4.105 -6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.498 4.404 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.565 5.689 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.109 6.018 -4.160 1.00 0.00 H new ATOM 1255 N SER A 81 -3.621 4.982 -3.194 1.00 0.00 N ATOM 1256 CA SER A 81 -4.294 4.469 -2.005 1.00 0.00 C ATOM 1257 C SER A 81 -5.525 3.653 -2.385 1.00 0.00 C ATOM 1258 O SER A 81 -5.871 2.683 -1.711 1.00 0.00 O ATOM 1259 CB SER A 81 -4.696 5.623 -1.084 1.00 0.00 C ATOM 1260 OG SER A 81 -5.521 5.168 -0.025 1.00 0.00 O ATOM 0 H SER A 81 -3.547 5.999 -3.232 1.00 0.00 H new ATOM 0 HA SER A 81 -3.598 3.817 -1.477 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.802 6.095 -0.676 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.224 6.384 -1.659 1.00 0.00 H new ATOM 0 HG SER A 81 -6.458 5.364 -0.233 1.00 0.00 H new ATOM 1266 N GLN A 82 -6.185 4.055 -3.467 1.00 0.00 N ATOM 1267 CA GLN A 82 -7.379 3.361 -3.936 1.00 0.00 C ATOM 1268 C GLN A 82 -7.020 2.017 -4.560 1.00 0.00 C ATOM 1269 O GLN A 82 -7.611 0.989 -4.230 1.00 0.00 O ATOM 1270 CB GLN A 82 -8.130 4.225 -4.951 1.00 0.00 C ATOM 1271 CG GLN A 82 -9.495 3.673 -5.327 1.00 0.00 C ATOM 1272 CD GLN A 82 -10.611 4.241 -4.472 1.00 0.00 C ATOM 1273 OE1 GLN A 82 -11.403 5.065 -4.931 1.00 0.00 O ATOM 1274 NE2 GLN A 82 -10.680 3.803 -3.221 1.00 0.00 N ATOM 0 H GLN A 82 -5.913 4.857 -4.035 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.024 3.179 -3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.253 5.228 -4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.525 4.321 -5.853 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.696 3.895 -6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.483 2.588 -5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.003 3.120 -2.882 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.410 4.150 -2.599 1.00 0.00 H new ATOM 1283 N THR A 83 -6.048 2.032 -5.466 1.00 0.00 N ATOM 1284 CA THR A 83 -5.609 0.814 -6.138 1.00 0.00 C ATOM 1285 C THR A 83 -5.091 -0.209 -5.131 1.00 0.00 C ATOM 1286 O THR A 83 -5.364 -1.403 -5.249 1.00 0.00 O ATOM 1287 CB THR A 83 -4.520 1.136 -7.162 1.00 0.00 C ATOM 1288 OG1 THR A 83 -4.976 2.098 -8.094 1.00 0.00 O ATOM 1289 CG2 THR A 83 -4.055 -0.075 -7.942 1.00 0.00 C ATOM 0 H THR A 83 -5.549 2.874 -5.752 1.00 0.00 H new ATOM 0 HA THR A 83 -6.468 0.385 -6.654 1.00 0.00 H new ATOM 0 HB THR A 83 -3.681 1.518 -6.580 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.602 2.975 -7.868 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.282 0.223 -8.651 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.650 -0.817 -7.254 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.898 -0.505 -8.484 1.00 0.00 H new ATOM 1297 N LEU A 84 -4.341 0.268 -4.143 1.00 0.00 N ATOM 1298 CA LEU A 84 -3.782 -0.605 -3.116 1.00 0.00 C ATOM 1299 C LEU A 84 -4.888 -1.342 -2.365 1.00 0.00 C ATOM 1300 O LEU A 84 -4.906 -2.572 -2.316 1.00 0.00 O ATOM 1301 CB LEU A 84 -2.936 0.206 -2.133 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.340 -0.594 -0.974 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -1.007 -1.204 -1.375 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -2.175 0.290 0.253 1.00 0.00 C ATOM 0 H LEU A 84 -4.106 1.254 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.148 -1.343 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.123 0.680 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.552 1.006 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.026 -1.404 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.599 -1.769 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.153 -1.870 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.312 -0.411 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.750 -0.295 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.509 1.120 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.147 0.679 0.554 1.00 0.00 H new ATOM 1316 N LEU A 85 -5.807 -0.581 -1.779 1.00 0.00 N ATOM 1317 CA LEU A 85 -6.915 -1.160 -1.027 1.00 0.00 C ATOM 1318 C LEU A 85 -7.751 -2.085 -1.907 1.00 0.00 C ATOM 1319 O LEU A 85 -8.358 -3.039 -1.420 1.00 0.00 O ATOM 1320 CB LEU A 85 -7.799 -0.054 -0.448 1.00 0.00 C ATOM 1321 CG LEU A 85 -7.137 0.804 0.632 1.00 0.00 C ATOM 1322 CD1 LEU A 85 -7.806 2.167 0.714 1.00 0.00 C ATOM 1323 CD2 LEU A 85 -7.189 0.099 1.979 1.00 0.00 C ATOM 0 H LEU A 85 -5.806 0.439 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.496 -1.748 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.120 0.597 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.697 -0.509 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.091 0.951 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.322 2.764 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.716 2.675 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.860 2.041 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.714 0.724 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.228 -0.079 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.663 -0.853 1.912 1.00 0.00 H new ATOM 1335 N ASP A 86 -7.781 -1.798 -3.205 1.00 0.00 N ATOM 1336 CA ASP A 86 -8.545 -2.605 -4.148 1.00 0.00 C ATOM 1337 C ASP A 86 -7.765 -3.849 -4.562 1.00 0.00 C ATOM 1338 O ASP A 86 -8.337 -4.927 -4.727 1.00 0.00 O ATOM 1339 CB ASP A 86 -8.904 -1.777 -5.385 1.00 0.00 C ATOM 1340 CG ASP A 86 -10.377 -1.869 -5.734 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -11.003 -2.897 -5.401 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -10.904 -0.914 -6.341 1.00 0.00 O ATOM 0 H ASP A 86 -7.285 -1.013 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.462 -2.924 -3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.639 -0.734 -5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.310 -2.119 -6.233 1.00 0.00 H new ATOM 1347 N SER A 87 -6.455 -3.694 -4.729 1.00 0.00 N ATOM 1348 CA SER A 87 -5.596 -4.805 -5.125 1.00 0.00 C ATOM 1349 C SER A 87 -5.690 -5.954 -4.126 1.00 0.00 C ATOM 1350 O SER A 87 -5.529 -7.119 -4.488 1.00 0.00 O ATOM 1351 CB SER A 87 -4.144 -4.336 -5.247 1.00 0.00 C ATOM 1352 OG SER A 87 -3.522 -4.895 -6.390 1.00 0.00 O ATOM 0 H SER A 87 -5.965 -2.809 -4.596 1.00 0.00 H new ATOM 0 HA SER A 87 -5.938 -5.166 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.114 -3.248 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.590 -4.620 -4.352 1.00 0.00 H new ATOM 0 HG SER A 87 -2.596 -4.579 -6.446 1.00 0.00 H new ATOM 1358 N VAL A 88 -5.952 -5.618 -2.868 1.00 0.00 N ATOM 1359 CA VAL A 88 -6.066 -6.622 -1.816 1.00 0.00 C ATOM 1360 C VAL A 88 -7.188 -7.610 -2.120 1.00 0.00 C ATOM 1361 O VAL A 88 -6.964 -8.818 -2.187 1.00 0.00 O ATOM 1362 CB VAL A 88 -6.326 -5.971 -0.444 1.00 0.00 C ATOM 1363 CG1 VAL A 88 -6.285 -7.017 0.661 1.00 0.00 C ATOM 1364 CG2 VAL A 88 -5.317 -4.864 -0.177 1.00 0.00 C ATOM 0 H VAL A 88 -6.090 -4.658 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.116 -7.155 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.322 -5.528 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.471 -6.538 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.051 -7.771 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.304 -7.492 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.517 -4.416 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.310 -5.280 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.400 -4.101 -0.951 1.00 0.00 H new ATOM 1374 N TYR A 89 -8.397 -7.088 -2.302 1.00 0.00 N ATOM 1375 CA TYR A 89 -9.554 -7.924 -2.598 1.00 0.00 C ATOM 1376 C TYR A 89 -9.550 -8.365 -4.059 1.00 0.00 C ATOM 1377 O TYR A 89 -10.045 -9.441 -4.393 1.00 0.00 O ATOM 1378 CB TYR A 89 -10.847 -7.169 -2.283 1.00 0.00 C ATOM 1379 CG TYR A 89 -10.873 -6.561 -0.900 1.00 0.00 C ATOM 1380 CD1 TYR A 89 -10.874 -7.366 0.233 1.00 0.00 C ATOM 1381 CD2 TYR A 89 -10.892 -5.183 -0.725 1.00 0.00 C ATOM 1382 CE1 TYR A 89 -10.896 -6.815 1.501 1.00 0.00 C ATOM 1383 CE2 TYR A 89 -10.914 -4.625 0.539 1.00 0.00 C ATOM 1384 CZ TYR A 89 -10.916 -5.444 1.648 1.00 0.00 C ATOM 1385 OH TYR A 89 -10.937 -4.891 2.908 1.00 0.00 O ATOM 0 H TYR A 89 -8.600 -6.090 -2.250 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.498 -8.814 -1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.985 -6.378 -3.021 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.690 -7.852 -2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -10.857 -8.440 0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.890 -4.537 -1.591 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.898 -7.455 2.371 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.930 -3.552 0.658 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.948 -3.914 2.836 1.00 0.00 H new ATOM 1395 N SER A 90 -8.990 -7.526 -4.924 1.00 0.00 N ATOM 1396 CA SER A 90 -8.923 -7.830 -6.349 1.00 0.00 C ATOM 1397 C SER A 90 -8.022 -9.034 -6.608 1.00 0.00 C ATOM 1398 O SER A 90 -8.239 -9.789 -7.556 1.00 0.00 O ATOM 1399 CB SER A 90 -8.409 -6.618 -7.127 1.00 0.00 C ATOM 1400 OG SER A 90 -8.706 -6.734 -8.507 1.00 0.00 O ATOM 0 H SER A 90 -8.576 -6.631 -4.664 1.00 0.00 H new ATOM 0 HA SER A 90 -9.930 -8.072 -6.690 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.861 -5.709 -6.730 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.332 -6.525 -6.990 1.00 0.00 H new ATOM 0 HG SER A 90 -8.368 -5.946 -8.982 1.00 0.00 H new ATOM 1406 N HIS A 91 -7.012 -9.205 -5.763 1.00 0.00 N ATOM 1407 CA HIS A 91 -6.080 -10.318 -5.904 1.00 0.00 C ATOM 1408 C HIS A 91 -6.525 -11.512 -5.068 1.00 0.00 C ATOM 1409 O HIS A 91 -6.483 -12.654 -5.525 1.00 0.00 O ATOM 1410 CB HIS A 91 -4.672 -9.886 -5.488 1.00 0.00 C ATOM 1411 CG HIS A 91 -3.915 -9.188 -6.573 1.00 0.00 C ATOM 1412 ND1 HIS A 91 -3.353 -9.829 -7.655 1.00 0.00 N ATOM 1413 CD2 HIS A 91 -3.633 -7.869 -6.733 1.00 0.00 C ATOM 1414 CE1 HIS A 91 -2.759 -8.903 -8.420 1.00 0.00 C ATOM 1415 NE2 HIS A 91 -2.900 -7.697 -7.905 1.00 0.00 N ATOM 0 H HIS A 91 -6.817 -8.588 -4.974 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.067 -10.617 -6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.744 -9.226 -4.624 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.110 -10.765 -5.172 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -3.384 -10.831 -7.841 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.930 -7.079 -6.059 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.233 -9.116 -9.339 1.00 0.00 H new ATOM 1423 N LEU A 92 -6.955 -11.241 -3.839 1.00 0.00 N ATOM 1424 CA LEU A 92 -7.409 -12.293 -2.938 1.00 0.00 C ATOM 1425 C LEU A 92 -8.904 -12.161 -2.656 1.00 0.00 C ATOM 1426 O LEU A 92 -9.307 -11.523 -1.682 1.00 0.00 O ATOM 1427 CB LEU A 92 -6.625 -12.242 -1.626 1.00 0.00 C ATOM 1428 CG LEU A 92 -5.124 -12.511 -1.757 1.00 0.00 C ATOM 1429 CD1 LEU A 92 -4.381 -11.991 -0.536 1.00 0.00 C ATOM 1430 CD2 LEU A 92 -4.863 -13.997 -1.948 1.00 0.00 C ATOM 0 H LEU A 92 -6.998 -10.301 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.232 -13.253 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -6.764 -11.259 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -7.051 -12.972 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.755 -11.982 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.315 -12.191 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.541 -10.917 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.754 -12.492 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.791 -14.169 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.247 -14.547 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.364 -14.341 -2.853 1.00 0.00 H new ATOM 1442 N PRO A 93 -9.750 -12.765 -3.508 1.00 0.00 N ATOM 1443 CA PRO A 93 -11.208 -12.712 -3.345 1.00 0.00 C ATOM 1444 C PRO A 93 -11.685 -13.508 -2.135 1.00 0.00 C ATOM 1445 O PRO A 93 -12.735 -13.217 -1.562 1.00 0.00 O ATOM 1446 CB PRO A 93 -11.734 -13.338 -4.638 1.00 0.00 C ATOM 1447 CG PRO A 93 -10.632 -14.223 -5.109 1.00 0.00 C ATOM 1448 CD PRO A 93 -9.354 -13.548 -4.693 1.00 0.00 C ATOM 0 HA PRO A 93 -11.562 -11.695 -3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.648 -13.905 -4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.972 -12.575 -5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.712 -15.216 -4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.671 -14.353 -6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.576 -14.273 -4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.961 -12.909 -5.484 1.00 0.00 H new ATOM 1456 N ASP A 94 -10.907 -14.515 -1.751 1.00 0.00 N ATOM 1457 CA ASP A 94 -11.251 -15.355 -0.609 1.00 0.00 C ATOM 1458 C ASP A 94 -11.286 -14.538 0.681 1.00 0.00 C ATOM 1459 O ASP A 94 -11.981 -14.894 1.632 1.00 0.00 O ATOM 1460 CB ASP A 94 -10.246 -16.501 -0.474 1.00 0.00 C ATOM 1461 CG ASP A 94 -10.901 -17.798 -0.043 1.00 0.00 C ATOM 1462 OD1 ASP A 94 -11.737 -18.324 -0.808 1.00 0.00 O ATOM 1463 OD2 ASP A 94 -10.579 -18.289 1.060 1.00 0.00 O ATOM 0 H ASP A 94 -10.034 -14.769 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 94 -12.245 -15.768 -0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.741 -16.652 -1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.481 -16.225 0.251 1.00 0.00 H new ATOM 1468 N LEU A 95 -10.532 -13.442 0.705 1.00 0.00 N ATOM 1469 CA LEU A 95 -10.479 -12.578 1.880 1.00 0.00 C ATOM 1470 C LEU A 95 -11.868 -12.072 2.252 1.00 0.00 C ATOM 1471 O LEU A 95 -12.190 -11.917 3.430 1.00 0.00 O ATOM 1472 CB LEU A 95 -9.543 -11.394 1.626 1.00 0.00 C ATOM 1473 CG LEU A 95 -8.054 -11.739 1.608 1.00 0.00 C ATOM 1474 CD1 LEU A 95 -7.216 -10.484 1.416 1.00 0.00 C ATOM 1475 CD2 LEU A 95 -7.659 -12.454 2.892 1.00 0.00 C ATOM 0 H LEU A 95 -9.951 -13.132 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.094 -13.166 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.807 -10.940 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.717 -10.641 2.395 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.866 -12.408 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.159 -10.750 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.480 -10.011 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.407 -9.790 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.596 -12.693 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.863 -11.808 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.235 -13.374 2.988 1.00 0.00 H new