USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 665 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 21 MET CE :methyl 173:sc= -0.138 (180deg=-0.238) USER MOD Set 1.2: A 57 CYS SG : rot -75:sc= 0.724 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.561! F(o=-1.1,f=-0.56!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0721 X(o=-0.072,f=-0.5) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0204) USER MOD Single : A 41 MET CE :methyl 151:sc= -0.0216 (180deg=-0.486) USER MOD Single : A 46 SER OG : rot 180:sc= -0.522 USER MOD Single : A 52 THR OG1 : rot -95:sc= 1.18 USER MOD Single : A 62 ASN : amide:sc= 0.111 X(o=0.11,f=-0.094) USER MOD Single : A 66 GLN : amide:sc= -2.42! C(o=-2.4!,f=-4!) USER MOD Single : A 71 ASN : amide:sc= -0.378 K(o=-0.38,f=-3.3!) USER MOD Single : A 78 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-3.4) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00387 USER MOD Single : A 80 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.024) USER MOD Single : A 82 GLN : amide:sc= -8.57! C(o=-8.6!,f=-12!) USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= -0.0105 (180deg=-0.159) USER MOD Single : A 99 MET CE :methyl 174:sc= 0 (180deg=-0.062) USER MOD ----------------------------------------------------------------- ATOM 171 N LEU A 16 3.919 -8.349 -15.980 1.00 0.00 N ATOM 172 CA LEU A 16 3.614 -7.869 -14.636 1.00 0.00 C ATOM 173 C LEU A 16 2.109 -7.729 -14.437 1.00 0.00 C ATOM 174 O LEU A 16 1.362 -7.518 -15.393 1.00 0.00 O ATOM 175 CB LEU A 16 4.300 -6.525 -14.385 1.00 0.00 C ATOM 176 CG LEU A 16 5.732 -6.592 -13.853 1.00 0.00 C ATOM 177 CD1 LEU A 16 5.741 -7.039 -12.400 1.00 0.00 C ATOM 178 CD2 LEU A 16 6.575 -7.529 -14.706 1.00 0.00 C ATOM 0 HA LEU A 16 3.990 -8.601 -13.921 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.306 -5.963 -15.319 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.696 -5.958 -13.676 1.00 0.00 H new ATOM 0 HG LEU A 16 6.166 -5.594 -13.908 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.768 -7.081 -12.039 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.173 -6.330 -11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.288 -8.027 -12.321 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.591 -7.564 -14.313 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.142 -8.529 -14.684 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.596 -7.166 -15.733 1.00 0.00 H new ATOM 190 N VAL A 17 1.669 -7.847 -13.188 1.00 0.00 N ATOM 191 CA VAL A 17 0.252 -7.730 -12.862 1.00 0.00 C ATOM 192 C VAL A 17 -0.063 -6.364 -12.263 1.00 0.00 C ATOM 193 O VAL A 17 0.772 -5.763 -11.585 1.00 0.00 O ATOM 194 CB VAL A 17 -0.188 -8.826 -11.874 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.634 -8.613 -11.450 1.00 0.00 C ATOM 196 CG2 VAL A 17 -0.002 -10.204 -12.490 1.00 0.00 C ATOM 0 H VAL A 17 2.273 -8.023 -12.385 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.299 -7.850 -13.795 1.00 0.00 H new ATOM 0 HB VAL A 17 0.439 -8.763 -10.985 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.928 -9.397 -10.752 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.732 -7.641 -10.966 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.279 -8.648 -12.328 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.318 -10.966 -11.778 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.603 -10.282 -13.396 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.049 -10.353 -12.738 1.00 0.00 H new ATOM 206 N LEU A 18 -1.273 -5.878 -12.517 1.00 0.00 N ATOM 207 CA LEU A 18 -1.701 -4.582 -12.002 1.00 0.00 C ATOM 208 C LEU A 18 -3.034 -4.699 -11.271 1.00 0.00 C ATOM 209 O LEU A 18 -3.951 -5.375 -11.738 1.00 0.00 O ATOM 210 CB LEU A 18 -1.819 -3.571 -13.144 1.00 0.00 C ATOM 211 CG LEU A 18 -2.418 -2.213 -12.778 1.00 0.00 C ATOM 212 CD1 LEU A 18 -1.326 -1.245 -12.350 1.00 0.00 C ATOM 213 CD2 LEU A 18 -3.206 -1.645 -13.950 1.00 0.00 C ATOM 0 H LEU A 18 -1.975 -6.362 -13.077 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.949 -4.234 -11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.826 -3.407 -13.562 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.427 -4.013 -13.933 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.100 -2.353 -11.939 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.772 -0.284 -12.093 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.804 -1.646 -11.481 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.618 -1.110 -13.168 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.625 -0.678 -13.672 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.544 -1.521 -14.807 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.013 -2.329 -14.211 1.00 0.00 H new ATOM 225 N ILE A 19 -3.135 -4.035 -10.125 1.00 0.00 N ATOM 226 CA ILE A 19 -4.358 -4.062 -9.332 1.00 0.00 C ATOM 227 C ILE A 19 -5.158 -2.776 -9.510 1.00 0.00 C ATOM 228 O ILE A 19 -4.705 -1.694 -9.135 1.00 0.00 O ATOM 229 CB ILE A 19 -4.054 -4.261 -7.835 1.00 0.00 C ATOM 230 CG1 ILE A 19 -3.083 -5.427 -7.640 1.00 0.00 C ATOM 231 CG2 ILE A 19 -5.341 -4.501 -7.060 1.00 0.00 C ATOM 232 CD1 ILE A 19 -3.737 -6.785 -7.763 1.00 0.00 C ATOM 0 H ILE A 19 -2.385 -3.472 -9.725 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.947 -4.906 -9.690 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.586 -3.355 -7.451 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.283 -5.350 -8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.620 -5.343 -6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.109 -4.640 -6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.002 -3.642 -7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.835 -5.394 -7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.989 -7.564 -7.613 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.518 -6.882 -7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.176 -6.889 -8.755 1.00 0.00 H new ATOM 244 N ARG A 20 -6.350 -2.902 -10.083 1.00 0.00 N ATOM 245 CA ARG A 20 -7.214 -1.750 -10.311 1.00 0.00 C ATOM 246 C ARG A 20 -8.489 -1.854 -9.480 1.00 0.00 C ATOM 247 O ARG A 20 -9.152 -2.891 -9.469 1.00 0.00 O ATOM 248 CB ARG A 20 -7.567 -1.635 -11.795 1.00 0.00 C ATOM 249 CG ARG A 20 -6.383 -1.273 -12.677 1.00 0.00 C ATOM 250 CD ARG A 20 -6.836 -0.797 -14.048 1.00 0.00 C ATOM 251 NE ARG A 20 -7.104 -1.910 -14.954 1.00 0.00 N ATOM 252 CZ ARG A 20 -7.400 -1.757 -16.240 1.00 0.00 C ATOM 253 NH1 ARG A 20 -7.464 -0.543 -16.769 1.00 0.00 N ATOM 254 NH2 ARG A 20 -7.631 -2.820 -17.000 1.00 0.00 N ATOM 0 H ARG A 20 -6.740 -3.790 -10.398 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.673 -0.855 -10.004 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.986 -2.582 -12.135 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.344 -0.881 -11.917 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.794 -0.492 -12.196 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.732 -2.140 -12.788 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.736 -0.191 -13.942 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.069 -0.155 -14.480 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.062 -2.858 -14.579 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.286 0.276 -16.188 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.691 -0.428 -17.757 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.581 -3.756 -16.597 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.858 -2.701 -17.987 1.00 0.00 H new ATOM 268 N MET A 21 -8.826 -0.772 -8.785 1.00 0.00 N ATOM 269 CA MET A 21 -10.022 -0.742 -7.951 1.00 0.00 C ATOM 270 C MET A 21 -10.379 0.689 -7.563 1.00 0.00 C ATOM 271 O MET A 21 -9.503 1.546 -7.440 1.00 0.00 O ATOM 272 CB MET A 21 -9.815 -1.588 -6.693 1.00 0.00 C ATOM 273 CG MET A 21 -8.835 -0.976 -5.704 1.00 0.00 C ATOM 274 SD MET A 21 -7.121 -1.385 -6.082 1.00 0.00 S ATOM 275 CE MET A 21 -6.679 -2.355 -4.643 1.00 0.00 C ATOM 0 H MET A 21 -8.288 0.095 -8.783 1.00 0.00 H new ATOM 0 HA MET A 21 -10.847 -1.159 -8.528 1.00 0.00 H new ATOM 0 HB2 MET A 21 -10.776 -1.731 -6.199 1.00 0.00 H new ATOM 0 HB3 MET A 21 -9.456 -2.575 -6.984 1.00 0.00 H new ATOM 0 HG2 MET A 21 -8.954 0.107 -5.703 1.00 0.00 H new ATOM 0 HG3 MET A 21 -9.074 -1.324 -4.699 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.688 -2.785 -4.785 1.00 0.00 H new ATOM 0 HE2 MET A 21 -6.674 -1.715 -3.761 1.00 0.00 H new ATOM 0 HE3 MET A 21 -7.406 -3.156 -4.507 1.00 0.00 H new ATOM 285 N LYS A 22 -11.669 0.942 -7.370 1.00 0.00 N ATOM 286 CA LYS A 22 -12.142 2.269 -6.995 1.00 0.00 C ATOM 287 C LYS A 22 -12.128 2.443 -5.479 1.00 0.00 C ATOM 288 O LYS A 22 -12.199 1.477 -4.719 1.00 0.00 O ATOM 289 CB LYS A 22 -13.555 2.500 -7.533 1.00 0.00 C ATOM 290 CG LYS A 22 -14.650 2.067 -6.573 1.00 0.00 C ATOM 291 CD LYS A 22 -15.976 1.874 -7.289 1.00 0.00 C ATOM 292 CE LYS A 22 -16.136 0.447 -7.791 1.00 0.00 C ATOM 293 NZ LYS A 22 -16.645 -0.461 -6.726 1.00 0.00 N ATOM 0 H LYS A 22 -12.407 0.244 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.469 3.005 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.680 3.559 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.671 1.958 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.360 1.136 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.765 2.816 -5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.795 2.117 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.041 2.566 -8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.822 0.435 -8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.176 0.080 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.740 -1.424 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.978 -0.469 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.573 -0.125 -6.398 1.00 0.00 H new ATOM 307 N PRO A 23 -12.036 3.703 -5.028 1.00 0.00 N ATOM 308 CA PRO A 23 -12.013 4.032 -3.600 1.00 0.00 C ATOM 309 C PRO A 23 -13.359 3.785 -2.927 1.00 0.00 C ATOM 310 O PRO A 23 -14.398 3.754 -3.587 1.00 0.00 O ATOM 311 CB PRO A 23 -11.674 5.525 -3.586 1.00 0.00 C ATOM 312 CG PRO A 23 -12.144 6.032 -4.905 1.00 0.00 C ATOM 313 CD PRO A 23 -11.948 4.902 -5.878 1.00 0.00 C ATOM 0 HA PRO A 23 -11.303 3.414 -3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.174 6.037 -2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.604 5.687 -3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.192 6.329 -4.858 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.577 6.912 -5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.714 4.902 -6.654 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.984 4.968 -6.382 1.00 0.00 H new ATOM 321 N ASP A 24 -13.333 3.611 -1.610 1.00 0.00 N ATOM 322 CA ASP A 24 -14.552 3.368 -0.847 1.00 0.00 C ATOM 323 C ASP A 24 -15.307 4.670 -0.600 1.00 0.00 C ATOM 324 O ASP A 24 -14.814 5.753 -0.914 1.00 0.00 O ATOM 325 CB ASP A 24 -14.219 2.696 0.486 1.00 0.00 C ATOM 326 CG ASP A 24 -15.455 2.191 1.205 1.00 0.00 C ATOM 327 OD1 ASP A 24 -16.310 1.566 0.544 1.00 0.00 O ATOM 328 OD2 ASP A 24 -15.567 2.421 2.427 1.00 0.00 O ATOM 0 H ASP A 24 -12.482 3.634 -1.049 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.190 2.704 -1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.539 1.863 0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.694 3.405 1.126 1.00 0.00 H new ATOM 333 N GLU A 25 -16.505 4.556 -0.036 1.00 0.00 N ATOM 334 CA GLU A 25 -17.328 5.725 0.251 1.00 0.00 C ATOM 335 C GLU A 25 -16.503 6.820 0.921 1.00 0.00 C ATOM 336 O GLU A 25 -16.580 7.988 0.543 1.00 0.00 O ATOM 337 CB GLU A 25 -18.507 5.339 1.147 1.00 0.00 C ATOM 338 CG GLU A 25 -19.689 6.288 1.040 1.00 0.00 C ATOM 339 CD GLU A 25 -20.556 6.282 2.284 1.00 0.00 C ATOM 340 OE1 GLU A 25 -19.998 6.167 3.396 1.00 0.00 O ATOM 341 OE2 GLU A 25 -21.792 6.394 2.146 1.00 0.00 O ATOM 0 H GLU A 25 -16.927 3.667 0.231 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.710 6.109 -0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.835 4.333 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -18.170 5.307 2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.323 7.299 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.295 6.011 0.178 1.00 0.00 H new ATOM 348 N ASN A 26 -15.715 6.432 1.919 1.00 0.00 N ATOM 349 CA ASN A 26 -14.877 7.380 2.643 1.00 0.00 C ATOM 350 C ASN A 26 -13.580 7.649 1.885 1.00 0.00 C ATOM 351 O ASN A 26 -12.880 8.624 2.157 1.00 0.00 O ATOM 352 CB ASN A 26 -14.561 6.849 4.042 1.00 0.00 C ATOM 353 CG ASN A 26 -14.022 7.927 4.963 1.00 0.00 C ATOM 354 OD1 ASN A 26 -14.085 7.678 6.265 1.00 0.00 O flip ATOM 355 ND2 ASN A 26 -13.554 8.970 4.507 1.00 0.00 N flip ATOM 0 H ASN A 26 -15.640 5.468 2.244 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.427 8.317 2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.464 6.421 4.478 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -13.831 6.043 3.965 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -13.526 9.118 3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -13.194 9.686 5.138 1.00 0.00 H new ATOM 362 N GLY A 27 -13.267 6.778 0.931 1.00 0.00 N ATOM 363 CA GLY A 27 -12.056 6.939 0.147 1.00 0.00 C ATOM 364 C GLY A 27 -10.915 6.084 0.662 1.00 0.00 C ATOM 365 O GLY A 27 -9.760 6.510 0.657 1.00 0.00 O ATOM 0 H GLY A 27 -13.830 5.963 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.262 6.678 -0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.755 7.987 0.159 1.00 0.00 H new ATOM 369 N ARG A 28 -11.238 4.875 1.109 1.00 0.00 N ATOM 370 CA ARG A 28 -10.231 3.959 1.632 1.00 0.00 C ATOM 371 C ARG A 28 -10.331 2.596 0.953 1.00 0.00 C ATOM 372 O ARG A 28 -11.262 2.338 0.190 1.00 0.00 O ATOM 373 CB ARG A 28 -10.393 3.800 3.145 1.00 0.00 C ATOM 374 CG ARG A 28 -10.606 5.116 3.877 1.00 0.00 C ATOM 375 CD ARG A 28 -10.288 4.987 5.358 1.00 0.00 C ATOM 376 NE ARG A 28 -10.434 6.259 6.061 1.00 0.00 N ATOM 377 CZ ARG A 28 -10.359 6.381 7.382 1.00 0.00 C ATOM 378 NH1 ARG A 28 -10.138 5.314 8.138 1.00 0.00 N ATOM 379 NH2 ARG A 28 -10.502 7.572 7.949 1.00 0.00 N ATOM 0 H ARG A 28 -12.189 4.507 1.120 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.248 4.380 1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.239 3.142 3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.506 3.310 3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.975 5.886 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.639 5.440 3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.949 4.246 5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.269 4.620 5.480 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.603 7.099 5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.025 4.397 7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.081 5.410 9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.670 8.395 7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.444 7.664 8.963 1.00 0.00 H new ATOM 393 N PHE A 29 -9.365 1.728 1.236 1.00 0.00 N ATOM 394 CA PHE A 29 -9.343 0.392 0.652 1.00 0.00 C ATOM 395 C PHE A 29 -9.393 -0.677 1.739 1.00 0.00 C ATOM 396 O PHE A 29 -9.385 -0.369 2.930 1.00 0.00 O ATOM 397 CB PHE A 29 -8.088 0.208 -0.204 1.00 0.00 C ATOM 398 CG PHE A 29 -7.911 1.274 -1.246 1.00 0.00 C ATOM 399 CD1 PHE A 29 -7.299 2.477 -0.929 1.00 0.00 C ATOM 400 CD2 PHE A 29 -8.356 1.075 -2.543 1.00 0.00 C ATOM 401 CE1 PHE A 29 -7.136 3.460 -1.886 1.00 0.00 C ATOM 402 CE2 PHE A 29 -8.195 2.055 -3.505 1.00 0.00 C ATOM 403 CZ PHE A 29 -7.583 3.249 -3.176 1.00 0.00 C ATOM 0 H PHE A 29 -8.588 1.926 1.866 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.224 0.283 0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.213 0.198 0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.132 -0.764 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.946 2.648 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.834 0.143 -2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.659 4.393 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.547 1.887 -4.512 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.454 4.016 -3.926 1.00 0.00 H new ATOM 413 N GLY A 30 -9.446 -1.938 1.319 1.00 0.00 N ATOM 414 CA GLY A 30 -9.498 -3.035 2.267 1.00 0.00 C ATOM 415 C GLY A 30 -8.288 -3.943 2.170 1.00 0.00 C ATOM 416 O GLY A 30 -8.410 -5.115 1.813 1.00 0.00 O ATOM 0 H GLY A 30 -9.454 -2.219 0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.567 -2.634 3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.402 -3.619 2.093 1.00 0.00 H new ATOM 420 N PHE A 31 -7.117 -3.401 2.487 1.00 0.00 N ATOM 421 CA PHE A 31 -5.879 -4.170 2.431 1.00 0.00 C ATOM 422 C PHE A 31 -4.757 -3.450 3.173 1.00 0.00 C ATOM 423 O PHE A 31 -4.573 -2.243 3.022 1.00 0.00 O ATOM 424 CB PHE A 31 -5.469 -4.412 0.976 1.00 0.00 C ATOM 425 CG PHE A 31 -4.849 -3.212 0.320 1.00 0.00 C ATOM 426 CD1 PHE A 31 -3.527 -2.877 0.567 1.00 0.00 C ATOM 427 CD2 PHE A 31 -5.588 -2.418 -0.542 1.00 0.00 C ATOM 428 CE1 PHE A 31 -2.953 -1.773 -0.036 1.00 0.00 C ATOM 429 CE2 PHE A 31 -5.019 -1.314 -1.148 1.00 0.00 C ATOM 430 CZ PHE A 31 -3.701 -0.990 -0.893 1.00 0.00 C ATOM 0 H PHE A 31 -6.999 -2.433 2.785 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.055 -5.130 2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.763 -5.242 0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.347 -4.715 0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.939 -3.485 1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.620 -2.665 -0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.921 -1.523 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.605 -0.705 -1.821 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.256 -0.126 -1.363 1.00 0.00 H new ATOM 440 N ASN A 32 -4.011 -4.200 3.977 1.00 0.00 N ATOM 441 CA ASN A 32 -2.908 -3.634 4.745 1.00 0.00 C ATOM 442 C ASN A 32 -1.564 -4.048 4.153 1.00 0.00 C ATOM 443 O ASN A 32 -1.482 -4.999 3.375 1.00 0.00 O ATOM 444 CB ASN A 32 -2.993 -4.082 6.206 1.00 0.00 C ATOM 445 CG ASN A 32 -3.841 -3.148 7.048 1.00 0.00 C ATOM 446 OD1 ASN A 32 -3.318 -2.314 7.787 1.00 0.00 O ATOM 447 ND2 ASN A 32 -5.157 -3.286 6.940 1.00 0.00 N ATOM 0 H ASN A 32 -4.150 -5.201 4.114 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.987 -2.548 4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.411 -5.088 6.251 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.989 -4.135 6.626 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.779 -2.687 7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.546 -3.991 6.314 1.00 0.00 H new ATOM 454 N VAL A 33 -0.512 -3.326 4.526 1.00 0.00 N ATOM 455 CA VAL A 33 0.829 -3.618 4.033 1.00 0.00 C ATOM 456 C VAL A 33 1.855 -3.549 5.158 1.00 0.00 C ATOM 457 O VAL A 33 1.594 -2.979 6.218 1.00 0.00 O ATOM 458 CB VAL A 33 1.242 -2.641 2.916 1.00 0.00 C ATOM 459 CG1 VAL A 33 0.294 -2.754 1.731 1.00 0.00 C ATOM 460 CG2 VAL A 33 1.282 -1.215 3.444 1.00 0.00 C ATOM 0 H VAL A 33 -0.562 -2.535 5.168 1.00 0.00 H new ATOM 0 HA VAL A 33 0.804 -4.630 3.629 1.00 0.00 H new ATOM 0 HB VAL A 33 2.243 -2.906 2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.601 -2.057 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.321 -3.771 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.720 -2.516 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.576 -0.538 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.295 -0.935 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.004 -1.148 4.257 1.00 0.00 H new ATOM 470 N LYS A 34 3.025 -4.133 4.922 1.00 0.00 N ATOM 471 CA LYS A 34 4.094 -4.136 5.914 1.00 0.00 C ATOM 472 C LYS A 34 5.462 -4.128 5.240 1.00 0.00 C ATOM 473 O LYS A 34 5.593 -4.499 4.074 1.00 0.00 O ATOM 474 CB LYS A 34 3.969 -5.361 6.823 1.00 0.00 C ATOM 475 CG LYS A 34 3.853 -6.672 6.065 1.00 0.00 C ATOM 476 CD LYS A 34 4.071 -7.866 6.979 1.00 0.00 C ATOM 477 CE LYS A 34 4.146 -9.165 6.191 1.00 0.00 C ATOM 478 NZ LYS A 34 4.486 -10.324 7.062 1.00 0.00 N ATOM 0 H LYS A 34 3.257 -4.611 4.051 1.00 0.00 H new ATOM 0 HA LYS A 34 4.000 -3.232 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.838 -5.406 7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.094 -5.241 7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.868 -6.741 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.585 -6.692 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.992 -7.729 7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.258 -7.925 7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.190 -9.348 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.895 -9.070 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.527 -11.190 6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.410 -10.162 7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.758 -10.431 7.797 1.00 0.00 H new ATOM 492 N GLY A 35 6.480 -3.703 5.983 1.00 0.00 N ATOM 493 CA GLY A 35 7.825 -3.655 5.440 1.00 0.00 C ATOM 494 C GLY A 35 8.196 -2.277 4.931 1.00 0.00 C ATOM 495 O GLY A 35 7.491 -1.302 5.186 1.00 0.00 O ATOM 0 H GLY A 35 6.397 -3.391 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.535 -3.958 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.911 -4.375 4.626 1.00 0.00 H new ATOM 499 N GLY A 36 9.310 -2.194 4.209 1.00 0.00 N ATOM 500 CA GLY A 36 9.756 -0.920 3.676 1.00 0.00 C ATOM 501 C GLY A 36 11.254 -0.730 3.804 1.00 0.00 C ATOM 502 O GLY A 36 11.916 -1.448 4.554 1.00 0.00 O ATOM 0 H GLY A 36 9.911 -2.987 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.473 -0.850 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.244 -0.112 4.199 1.00 0.00 H new ATOM 506 N TYR A 37 11.791 0.237 3.069 1.00 0.00 N ATOM 507 CA TYR A 37 13.222 0.517 3.101 1.00 0.00 C ATOM 508 C TYR A 37 13.731 0.588 4.537 1.00 0.00 C ATOM 509 O TYR A 37 14.900 0.312 4.808 1.00 0.00 O ATOM 510 CB TYR A 37 13.523 1.829 2.375 1.00 0.00 C ATOM 511 CG TYR A 37 14.996 2.167 2.321 1.00 0.00 C ATOM 512 CD1 TYR A 37 15.663 2.636 3.446 1.00 0.00 C ATOM 513 CD2 TYR A 37 15.720 2.018 1.145 1.00 0.00 C ATOM 514 CE1 TYR A 37 17.008 2.946 3.401 1.00 0.00 C ATOM 515 CE2 TYR A 37 17.066 2.325 1.091 1.00 0.00 C ATOM 516 CZ TYR A 37 17.705 2.789 2.221 1.00 0.00 C ATOM 517 OH TYR A 37 19.045 3.097 2.171 1.00 0.00 O ATOM 0 H TYR A 37 11.257 0.840 2.444 1.00 0.00 H new ATOM 0 HA TYR A 37 13.737 -0.298 2.592 1.00 0.00 H new ATOM 0 HB2 TYR A 37 13.135 1.769 1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 37 12.991 2.640 2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.120 2.760 4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.222 1.656 0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.511 3.309 4.285 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.614 2.202 0.169 1.00 0.00 H new ATOM 0 HH TYR A 37 19.386 2.929 1.268 1.00 0.00 H new ATOM 527 N ASP A 38 12.845 0.961 5.454 1.00 0.00 N ATOM 528 CA ASP A 38 13.202 1.068 6.864 1.00 0.00 C ATOM 529 C ASP A 38 13.555 -0.300 7.441 1.00 0.00 C ATOM 530 O ASP A 38 14.502 -0.431 8.215 1.00 0.00 O ATOM 531 CB ASP A 38 12.052 1.689 7.658 1.00 0.00 C ATOM 532 CG ASP A 38 12.164 1.420 9.146 1.00 0.00 C ATOM 533 OD1 ASP A 38 13.250 1.664 9.713 1.00 0.00 O ATOM 534 OD2 ASP A 38 11.166 0.967 9.743 1.00 0.00 O ATOM 0 H ASP A 38 11.874 1.194 5.246 1.00 0.00 H new ATOM 0 HA ASP A 38 14.077 1.713 6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.036 2.765 7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.105 1.293 7.290 1.00 0.00 H new ATOM 539 N GLN A 39 12.785 -1.313 7.059 1.00 0.00 N ATOM 540 CA GLN A 39 13.015 -2.670 7.540 1.00 0.00 C ATOM 541 C GLN A 39 13.767 -3.496 6.501 1.00 0.00 C ATOM 542 O GLN A 39 13.756 -4.726 6.543 1.00 0.00 O ATOM 543 CB GLN A 39 11.686 -3.346 7.880 1.00 0.00 C ATOM 544 CG GLN A 39 11.124 -2.937 9.232 1.00 0.00 C ATOM 545 CD GLN A 39 11.944 -3.470 10.391 1.00 0.00 C ATOM 546 OE1 GLN A 39 12.391 -4.617 10.374 1.00 0.00 O ATOM 547 NE2 GLN A 39 12.147 -2.637 11.405 1.00 0.00 N ATOM 0 H GLN A 39 11.997 -1.220 6.418 1.00 0.00 H new ATOM 0 HA GLN A 39 13.625 -2.610 8.441 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.957 -3.106 7.105 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.823 -4.427 7.865 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.084 -1.849 9.290 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.100 -3.299 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.758 -1.695 11.377 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.692 -2.939 12.212 1.00 0.00 H new ATOM 556 N LYS A 40 14.421 -2.811 5.569 1.00 0.00 N ATOM 557 CA LYS A 40 15.180 -3.480 4.519 1.00 0.00 C ATOM 558 C LYS A 40 14.405 -4.669 3.960 1.00 0.00 C ATOM 559 O LYS A 40 14.995 -5.654 3.518 1.00 0.00 O ATOM 560 CB LYS A 40 16.533 -3.947 5.058 1.00 0.00 C ATOM 561 CG LYS A 40 17.619 -2.889 4.976 1.00 0.00 C ATOM 562 CD LYS A 40 18.033 -2.624 3.539 1.00 0.00 C ATOM 563 CE LYS A 40 18.552 -1.206 3.360 1.00 0.00 C ATOM 564 NZ LYS A 40 19.782 -0.960 4.163 1.00 0.00 N ATOM 0 H LYS A 40 14.441 -1.792 5.519 1.00 0.00 H new ATOM 0 HA LYS A 40 15.344 -2.765 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.414 -4.254 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.852 -4.827 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.262 -1.964 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 40 18.486 -3.212 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.805 -3.335 3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.182 -2.787 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.765 -1.027 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.779 -0.496 3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.143 -0.006 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.557 -1.039 5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.506 -1.663 3.913 1.00 0.00 H new ATOM 578 N MET A 41 13.080 -4.569 3.983 1.00 0.00 N ATOM 579 CA MET A 41 12.225 -5.636 3.476 1.00 0.00 C ATOM 580 C MET A 41 11.225 -5.095 2.458 1.00 0.00 C ATOM 581 O MET A 41 10.824 -3.932 2.504 1.00 0.00 O ATOM 582 CB MET A 41 11.480 -6.313 4.628 1.00 0.00 C ATOM 583 CG MET A 41 10.252 -5.547 5.092 1.00 0.00 C ATOM 584 SD MET A 41 9.203 -6.517 6.192 1.00 0.00 S ATOM 585 CE MET A 41 8.051 -7.230 5.020 1.00 0.00 C ATOM 0 H MET A 41 12.575 -3.761 4.347 1.00 0.00 H new ATOM 0 HA MET A 41 12.860 -6.371 2.981 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.178 -7.313 4.316 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.162 -6.434 5.470 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.568 -4.638 5.605 1.00 0.00 H new ATOM 0 HG3 MET A 41 9.672 -5.237 4.223 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.698 -8.190 5.395 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.203 -6.558 4.888 1.00 0.00 H new ATOM 0 HE3 MET A 41 8.550 -7.376 4.062 1.00 0.00 H new ATOM 595 N PRO A 42 10.813 -5.956 1.516 1.00 0.00 N ATOM 596 CA PRO A 42 9.855 -5.586 0.470 1.00 0.00 C ATOM 597 C PRO A 42 8.451 -5.365 1.021 1.00 0.00 C ATOM 598 O PRO A 42 8.132 -5.799 2.128 1.00 0.00 O ATOM 599 CB PRO A 42 9.876 -6.793 -0.472 1.00 0.00 C ATOM 600 CG PRO A 42 10.304 -7.935 0.384 1.00 0.00 C ATOM 601 CD PRO A 42 11.249 -7.358 1.401 1.00 0.00 C ATOM 0 HA PRO A 42 10.121 -4.646 -0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.893 -6.972 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.568 -6.637 -1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.447 -8.402 0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.794 -8.706 -0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.180 -7.880 2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 42 12.286 -7.431 1.073 1.00 0.00 H new ATOM 609 N VAL A 43 7.614 -4.687 0.242 1.00 0.00 N ATOM 610 CA VAL A 43 6.243 -4.409 0.652 1.00 0.00 C ATOM 611 C VAL A 43 5.298 -5.512 0.190 1.00 0.00 C ATOM 612 O VAL A 43 5.169 -5.773 -1.006 1.00 0.00 O ATOM 613 CB VAL A 43 5.753 -3.060 0.093 1.00 0.00 C ATOM 614 CG1 VAL A 43 4.343 -2.761 0.580 1.00 0.00 C ATOM 615 CG2 VAL A 43 6.708 -1.943 0.483 1.00 0.00 C ATOM 0 H VAL A 43 7.862 -4.320 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 43 6.240 -4.365 1.741 1.00 0.00 H new ATOM 0 HB VAL A 43 5.730 -3.124 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.013 -1.804 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.668 -3.549 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.336 -2.716 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.346 -0.997 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.765 -1.876 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.699 -2.154 0.080 1.00 0.00 H new ATOM 625 N ILE A 44 4.637 -6.156 1.147 1.00 0.00 N ATOM 626 CA ILE A 44 3.702 -7.231 0.838 1.00 0.00 C ATOM 627 C ILE A 44 2.441 -7.124 1.690 1.00 0.00 C ATOM 628 O ILE A 44 2.503 -6.770 2.867 1.00 0.00 O ATOM 629 CB ILE A 44 4.341 -8.614 1.058 1.00 0.00 C ATOM 630 CG1 ILE A 44 5.666 -8.714 0.301 1.00 0.00 C ATOM 631 CG2 ILE A 44 3.388 -9.714 0.616 1.00 0.00 C ATOM 632 CD1 ILE A 44 6.834 -8.101 1.042 1.00 0.00 C ATOM 0 H ILE A 44 4.732 -5.952 2.142 1.00 0.00 H new ATOM 0 HA ILE A 44 3.437 -7.126 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 44 4.542 -8.740 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.883 -9.763 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.561 -8.221 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.854 -10.686 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.467 -9.652 1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.159 -9.593 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.740 -8.209 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.639 -7.043 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.966 -8.609 1.997 1.00 0.00 H new ATOM 644 N VAL A 45 1.298 -7.434 1.087 1.00 0.00 N ATOM 645 CA VAL A 45 0.022 -7.376 1.790 1.00 0.00 C ATOM 646 C VAL A 45 0.058 -8.215 3.063 1.00 0.00 C ATOM 647 O VAL A 45 0.496 -9.365 3.048 1.00 0.00 O ATOM 648 CB VAL A 45 -1.134 -7.865 0.898 1.00 0.00 C ATOM 649 CG1 VAL A 45 -2.414 -8.001 1.708 1.00 0.00 C ATOM 650 CG2 VAL A 45 -1.335 -6.922 -0.278 1.00 0.00 C ATOM 0 H VAL A 45 1.229 -7.728 0.113 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.148 -6.332 2.051 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.875 -8.848 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.219 -8.348 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.261 -8.720 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.681 -7.033 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.156 -7.283 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.571 -5.924 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.422 -6.882 -0.872 1.00 0.00 H new ATOM 660 N SER A 46 -0.406 -7.631 4.163 1.00 0.00 N ATOM 661 CA SER A 46 -0.425 -8.324 5.446 1.00 0.00 C ATOM 662 C SER A 46 -1.775 -8.994 5.682 1.00 0.00 C ATOM 663 O SER A 46 -1.855 -10.211 5.850 1.00 0.00 O ATOM 664 CB SER A 46 -0.123 -7.345 6.582 1.00 0.00 C ATOM 665 OG SER A 46 -1.225 -6.487 6.822 1.00 0.00 O ATOM 0 H SER A 46 -0.774 -6.680 4.192 1.00 0.00 H new ATOM 0 HA SER A 46 0.345 -9.095 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.115 -7.899 7.490 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.756 -6.752 6.331 1.00 0.00 H new ATOM 0 HG SER A 46 -1.008 -5.872 7.553 1.00 0.00 H new ATOM 671 N ARG A 47 -2.833 -8.191 5.693 1.00 0.00 N ATOM 672 CA ARG A 47 -4.180 -8.705 5.910 1.00 0.00 C ATOM 673 C ARG A 47 -5.166 -8.078 4.928 1.00 0.00 C ATOM 674 O ARG A 47 -5.007 -6.927 4.522 1.00 0.00 O ATOM 675 CB ARG A 47 -4.629 -8.430 7.346 1.00 0.00 C ATOM 676 CG ARG A 47 -5.874 -9.202 7.753 1.00 0.00 C ATOM 677 CD ARG A 47 -5.530 -10.609 8.216 1.00 0.00 C ATOM 678 NE ARG A 47 -6.583 -11.184 9.048 1.00 0.00 N ATOM 679 CZ ARG A 47 -7.724 -11.663 8.563 1.00 0.00 C ATOM 680 NH1 ARG A 47 -7.957 -11.636 7.258 1.00 0.00 N ATOM 681 NH2 ARG A 47 -8.634 -12.171 9.385 1.00 0.00 N ATOM 0 H ARG A 47 -2.784 -7.182 5.554 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.162 -9.782 5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.816 -8.683 8.027 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.820 -7.363 7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.388 -8.670 8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.563 -9.253 6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.366 -11.246 7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.596 -10.588 8.777 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.435 -11.220 10.057 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.260 -11.247 6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.834 -12.004 6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.458 -12.194 10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.509 -12.538 9.012 1.00 0.00 H new ATOM 695 N VAL A 48 -6.185 -8.844 4.550 1.00 0.00 N ATOM 696 CA VAL A 48 -7.196 -8.363 3.616 1.00 0.00 C ATOM 697 C VAL A 48 -8.594 -8.787 4.054 1.00 0.00 C ATOM 698 O VAL A 48 -8.940 -9.967 4.005 1.00 0.00 O ATOM 699 CB VAL A 48 -6.937 -8.885 2.190 1.00 0.00 C ATOM 700 CG1 VAL A 48 -7.976 -8.337 1.224 1.00 0.00 C ATOM 701 CG2 VAL A 48 -5.532 -8.521 1.737 1.00 0.00 C ATOM 0 H VAL A 48 -6.332 -9.799 4.876 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.133 -7.275 3.614 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.021 -9.972 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.777 -8.716 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.970 -8.653 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.927 -7.248 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.366 -8.898 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.417 -7.437 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.804 -8.967 2.415 1.00 0.00 H new ATOM 711 N ALA A 49 -9.393 -7.816 4.484 1.00 0.00 N ATOM 712 CA ALA A 49 -10.754 -8.087 4.929 1.00 0.00 C ATOM 713 C ALA A 49 -11.702 -8.227 3.742 1.00 0.00 C ATOM 714 O ALA A 49 -11.527 -7.597 2.699 1.00 0.00 O ATOM 715 CB ALA A 49 -11.234 -6.986 5.863 1.00 0.00 C ATOM 0 H ALA A 49 -9.121 -6.834 4.534 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.751 -9.032 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.252 -7.202 6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.579 -6.936 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.215 -6.030 5.339 1.00 0.00 H new ATOM 721 N PRO A 50 -12.730 -9.074 3.902 1.00 0.00 N ATOM 722 CA PRO A 50 -13.726 -9.316 2.854 1.00 0.00 C ATOM 723 C PRO A 50 -14.628 -8.110 2.621 1.00 0.00 C ATOM 724 O PRO A 50 -14.453 -7.062 3.242 1.00 0.00 O ATOM 725 CB PRO A 50 -14.537 -10.493 3.401 1.00 0.00 C ATOM 726 CG PRO A 50 -14.380 -10.407 4.880 1.00 0.00 C ATOM 727 CD PRO A 50 -13.000 -9.859 5.118 1.00 0.00 C ATOM 0 HA PRO A 50 -13.261 -9.513 1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.585 -10.421 3.109 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.164 -11.443 3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.139 -9.757 5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.496 -11.387 5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.963 -9.238 6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.269 -10.656 5.252 1.00 0.00 H new ATOM 735 N GLY A 51 -15.595 -8.264 1.722 1.00 0.00 N ATOM 736 CA GLY A 51 -16.511 -7.178 1.423 1.00 0.00 C ATOM 737 C GLY A 51 -15.803 -5.847 1.270 1.00 0.00 C ATOM 738 O GLY A 51 -16.232 -4.838 1.831 1.00 0.00 O ATOM 0 H GLY A 51 -15.761 -9.121 1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.052 -7.406 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.252 -7.102 2.219 1.00 0.00 H new ATOM 742 N THR A 52 -14.712 -5.843 0.510 1.00 0.00 N ATOM 743 CA THR A 52 -13.940 -4.627 0.287 1.00 0.00 C ATOM 744 C THR A 52 -13.630 -4.436 -1.193 1.00 0.00 C ATOM 745 O THR A 52 -13.583 -5.390 -1.970 1.00 0.00 O ATOM 746 CB THR A 52 -12.619 -4.647 1.079 1.00 0.00 C ATOM 747 OG1 THR A 52 -11.978 -5.919 0.930 1.00 0.00 O ATOM 748 CG2 THR A 52 -12.867 -4.368 2.554 1.00 0.00 C ATOM 0 H THR A 52 -14.343 -6.669 0.038 1.00 0.00 H new ATOM 0 HA THR A 52 -14.552 -3.796 0.637 1.00 0.00 H new ATOM 0 HB THR A 52 -11.971 -3.865 0.682 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.223 -6.499 1.681 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.919 -4.387 3.092 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.328 -3.387 2.666 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.532 -5.130 2.962 1.00 0.00 H new ATOM 756 N PRO A 53 -13.411 -3.176 -1.595 1.00 0.00 N ATOM 757 CA PRO A 53 -13.100 -2.831 -2.985 1.00 0.00 C ATOM 758 C PRO A 53 -11.714 -3.308 -3.404 1.00 0.00 C ATOM 759 O PRO A 53 -11.278 -3.066 -4.529 1.00 0.00 O ATOM 760 CB PRO A 53 -13.164 -1.301 -2.994 1.00 0.00 C ATOM 761 CG PRO A 53 -12.877 -0.902 -1.588 1.00 0.00 C ATOM 762 CD PRO A 53 -13.451 -1.990 -0.723 1.00 0.00 C ATOM 0 HA PRO A 53 -13.788 -3.304 -3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.433 -0.878 -3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.144 -0.948 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.805 -0.798 -1.423 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.331 0.061 -1.355 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.862 -2.137 0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.468 -1.758 -0.407 1.00 0.00 H new ATOM 770 N ALA A 54 -11.026 -3.988 -2.492 1.00 0.00 N ATOM 771 CA ALA A 54 -9.690 -4.501 -2.769 1.00 0.00 C ATOM 772 C ALA A 54 -9.706 -6.018 -2.922 1.00 0.00 C ATOM 773 O ALA A 54 -8.840 -6.595 -3.580 1.00 0.00 O ATOM 774 CB ALA A 54 -8.728 -4.089 -1.665 1.00 0.00 C ATOM 0 H ALA A 54 -11.372 -4.196 -1.555 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.350 -4.071 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.734 -4.479 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.686 -3.001 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.073 -4.491 -0.713 1.00 0.00 H new ATOM 780 N ASP A 55 -10.695 -6.659 -2.309 1.00 0.00 N ATOM 781 CA ASP A 55 -10.824 -8.110 -2.377 1.00 0.00 C ATOM 782 C ASP A 55 -11.746 -8.521 -3.520 1.00 0.00 C ATOM 783 O ASP A 55 -11.541 -9.556 -4.156 1.00 0.00 O ATOM 784 CB ASP A 55 -11.357 -8.659 -1.053 1.00 0.00 C ATOM 785 CG ASP A 55 -10.860 -10.062 -0.765 1.00 0.00 C ATOM 786 OD1 ASP A 55 -11.375 -11.014 -1.389 1.00 0.00 O ATOM 787 OD2 ASP A 55 -9.956 -10.209 0.083 1.00 0.00 O ATOM 0 H ASP A 55 -11.419 -6.197 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.835 -8.529 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.056 -7.997 -0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.447 -8.661 -1.076 1.00 0.00 H new ATOM 792 N LEU A 56 -12.762 -7.705 -3.777 1.00 0.00 N ATOM 793 CA LEU A 56 -13.717 -7.984 -4.843 1.00 0.00 C ATOM 794 C LEU A 56 -13.166 -7.545 -6.196 1.00 0.00 C ATOM 795 O LEU A 56 -13.675 -7.945 -7.244 1.00 0.00 O ATOM 796 CB LEU A 56 -15.043 -7.273 -4.566 1.00 0.00 C ATOM 797 CG LEU A 56 -15.649 -7.500 -3.180 1.00 0.00 C ATOM 798 CD1 LEU A 56 -16.541 -6.332 -2.790 1.00 0.00 C ATOM 799 CD2 LEU A 56 -16.430 -8.805 -3.146 1.00 0.00 C ATOM 0 H LEU A 56 -12.946 -6.844 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.887 -9.060 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.894 -6.202 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.768 -7.594 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.837 -7.568 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.963 -6.511 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.952 -5.415 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.348 -6.232 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.854 -8.950 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.234 -8.767 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.763 -9.635 -3.380 1.00 0.00 H new ATOM 811 N CYS A 57 -12.123 -6.723 -6.166 1.00 0.00 N ATOM 812 CA CYS A 57 -11.501 -6.231 -7.390 1.00 0.00 C ATOM 813 C CYS A 57 -10.674 -7.326 -8.058 1.00 0.00 C ATOM 814 O CYS A 57 -10.294 -8.308 -7.420 1.00 0.00 O ATOM 815 CB CYS A 57 -10.617 -5.021 -7.087 1.00 0.00 C ATOM 816 SG CYS A 57 -8.932 -5.444 -6.584 1.00 0.00 S ATOM 0 H CYS A 57 -11.690 -6.383 -5.307 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.293 -5.930 -8.075 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.572 -4.387 -7.972 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.084 -4.433 -6.297 1.00 0.00 H new ATOM 0 HG CYS A 57 -8.941 -5.882 -5.360 1.00 0.00 H new ATOM 822 N VAL A 58 -10.400 -7.150 -9.346 1.00 0.00 N ATOM 823 CA VAL A 58 -9.619 -8.123 -10.101 1.00 0.00 C ATOM 824 C VAL A 58 -8.414 -7.465 -10.763 1.00 0.00 C ATOM 825 O VAL A 58 -8.500 -6.370 -11.319 1.00 0.00 O ATOM 826 CB VAL A 58 -10.473 -8.810 -11.183 1.00 0.00 C ATOM 827 CG1 VAL A 58 -9.623 -9.765 -12.008 1.00 0.00 C ATOM 828 CG2 VAL A 58 -11.648 -9.541 -10.550 1.00 0.00 C ATOM 0 H VAL A 58 -10.707 -6.343 -9.889 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.275 -8.873 -9.389 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.868 -8.044 -11.850 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.243 -10.241 -12.767 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.819 -9.211 -12.492 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.197 -10.528 -11.357 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.241 -10.021 -11.329 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.276 -10.298 -9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.270 -8.829 -10.008 1.00 0.00 H new ATOM 838 N PRO A 59 -7.260 -8.147 -10.704 1.00 0.00 N ATOM 839 CA PRO A 59 -7.145 -9.452 -10.045 1.00 0.00 C ATOM 840 C PRO A 59 -7.275 -9.348 -8.529 1.00 0.00 C ATOM 841 O PRO A 59 -6.779 -8.402 -7.917 1.00 0.00 O ATOM 842 CB PRO A 59 -5.740 -9.921 -10.430 1.00 0.00 C ATOM 843 CG PRO A 59 -4.983 -8.667 -10.703 1.00 0.00 C ATOM 844 CD PRO A 59 -5.980 -7.698 -11.276 1.00 0.00 C ATOM 0 HA PRO A 59 -7.936 -10.136 -10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.280 -10.494 -9.625 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.765 -10.567 -11.307 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.537 -8.274 -9.789 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.168 -8.848 -11.403 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.751 -6.671 -10.992 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.993 -7.732 -12.365 1.00 0.00 H new ATOM 852 N ARG A 60 -7.945 -10.327 -7.929 1.00 0.00 N ATOM 853 CA ARG A 60 -8.140 -10.345 -6.485 1.00 0.00 C ATOM 854 C ARG A 60 -6.822 -10.105 -5.755 1.00 0.00 C ATOM 855 O ARG A 60 -5.819 -10.767 -6.028 1.00 0.00 O ATOM 856 CB ARG A 60 -8.742 -11.682 -6.047 1.00 0.00 C ATOM 857 CG ARG A 60 -9.030 -11.761 -4.556 1.00 0.00 C ATOM 858 CD ARG A 60 -9.151 -13.203 -4.088 1.00 0.00 C ATOM 859 NE ARG A 60 -8.739 -13.363 -2.696 1.00 0.00 N ATOM 860 CZ ARG A 60 -8.527 -14.542 -2.123 1.00 0.00 C ATOM 861 NH1 ARG A 60 -8.686 -15.659 -2.820 1.00 0.00 N ATOM 862 NH2 ARG A 60 -8.154 -14.606 -0.851 1.00 0.00 N ATOM 0 H ARG A 60 -8.362 -11.118 -8.421 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.830 -9.541 -6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.668 -11.852 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.058 -12.486 -6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.233 -11.264 -4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.954 -11.226 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.183 -13.535 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.538 -13.843 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.607 -12.523 -2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.972 -15.613 -3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.523 -16.564 -2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.030 -13.749 -0.312 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.992 -15.512 -0.412 1.00 0.00 H new ATOM 876 N LEU A 61 -6.831 -9.156 -4.826 1.00 0.00 N ATOM 877 CA LEU A 61 -5.635 -8.828 -4.056 1.00 0.00 C ATOM 878 C LEU A 61 -5.545 -9.686 -2.799 1.00 0.00 C ATOM 879 O LEU A 61 -6.207 -9.412 -1.799 1.00 0.00 O ATOM 880 CB LEU A 61 -5.641 -7.346 -3.676 1.00 0.00 C ATOM 881 CG LEU A 61 -4.357 -6.812 -3.039 1.00 0.00 C ATOM 882 CD1 LEU A 61 -3.280 -6.613 -4.095 1.00 0.00 C ATOM 883 CD2 LEU A 61 -4.630 -5.509 -2.301 1.00 0.00 C ATOM 0 H LEU A 61 -7.652 -8.600 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.764 -9.035 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.848 -6.762 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.466 -7.172 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.999 -7.547 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.374 -6.233 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.065 -7.566 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.629 -5.898 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.706 -5.143 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.012 -4.767 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.368 -5.682 -1.518 1.00 0.00 H new ATOM 895 N ASN A 62 -4.718 -10.726 -2.857 1.00 0.00 N ATOM 896 CA ASN A 62 -4.539 -11.624 -1.722 1.00 0.00 C ATOM 897 C ASN A 62 -3.171 -11.421 -1.077 1.00 0.00 C ATOM 898 O ASN A 62 -2.275 -10.827 -1.676 1.00 0.00 O ATOM 899 CB ASN A 62 -4.695 -13.079 -2.167 1.00 0.00 C ATOM 900 CG ASN A 62 -3.793 -13.425 -3.337 1.00 0.00 C ATOM 901 OD1 ASN A 62 -4.231 -13.447 -4.487 1.00 0.00 O ATOM 902 ND2 ASN A 62 -2.526 -13.698 -3.047 1.00 0.00 N ATOM 0 H ASN A 62 -4.162 -10.967 -3.677 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.306 -11.393 -0.983 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.468 -13.739 -1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.733 -13.262 -2.445 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.872 -13.938 -3.792 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.206 -13.668 -2.079 1.00 0.00 H new ATOM 909 N GLU A 63 -3.020 -11.918 0.146 1.00 0.00 N ATOM 910 CA GLU A 63 -1.761 -11.790 0.871 1.00 0.00 C ATOM 911 C GLU A 63 -0.599 -12.329 0.042 1.00 0.00 C ATOM 912 O GLU A 63 -0.750 -13.293 -0.707 1.00 0.00 O ATOM 913 CB GLU A 63 -1.838 -12.535 2.206 1.00 0.00 C ATOM 914 CG GLU A 63 -2.955 -12.046 3.112 1.00 0.00 C ATOM 915 CD GLU A 63 -3.383 -13.089 4.125 1.00 0.00 C ATOM 916 OE1 GLU A 63 -2.515 -13.861 4.585 1.00 0.00 O ATOM 917 OE2 GLU A 63 -4.586 -13.135 4.459 1.00 0.00 O ATOM 0 H GLU A 63 -3.752 -12.412 0.655 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.588 -10.731 1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.978 -13.598 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.886 -12.429 2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.626 -11.149 3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.814 -11.762 2.503 1.00 0.00 H new ATOM 924 N GLY A 64 0.563 -11.697 0.182 1.00 0.00 N ATOM 925 CA GLY A 64 1.734 -12.125 -0.560 1.00 0.00 C ATOM 926 C GLY A 64 2.038 -11.220 -1.737 1.00 0.00 C ATOM 927 O GLY A 64 3.190 -11.097 -2.153 1.00 0.00 O ATOM 0 H GLY A 64 0.714 -10.897 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.595 -12.148 0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.581 -13.143 -0.918 1.00 0.00 H new ATOM 931 N ASP A 65 1.003 -10.585 -2.275 1.00 0.00 N ATOM 932 CA ASP A 65 1.165 -9.687 -3.413 1.00 0.00 C ATOM 933 C ASP A 65 2.163 -8.579 -3.092 1.00 0.00 C ATOM 934 O ASP A 65 1.788 -7.516 -2.598 1.00 0.00 O ATOM 935 CB ASP A 65 -0.183 -9.078 -3.804 1.00 0.00 C ATOM 936 CG ASP A 65 -1.184 -10.126 -4.250 1.00 0.00 C ATOM 937 OD1 ASP A 65 -0.753 -11.163 -4.796 1.00 0.00 O ATOM 938 OD2 ASP A 65 -2.398 -9.908 -4.054 1.00 0.00 O ATOM 0 H ASP A 65 0.043 -10.675 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 65 1.550 -10.267 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.590 -8.529 -2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.033 -8.357 -4.608 1.00 0.00 H new ATOM 943 N GLN A 66 3.436 -8.837 -3.376 1.00 0.00 N ATOM 944 CA GLN A 66 4.489 -7.861 -3.116 1.00 0.00 C ATOM 945 C GLN A 66 4.389 -6.684 -4.080 1.00 0.00 C ATOM 946 O GLN A 66 4.532 -6.846 -5.292 1.00 0.00 O ATOM 947 CB GLN A 66 5.864 -8.520 -3.237 1.00 0.00 C ATOM 948 CG GLN A 66 7.020 -7.561 -3.005 1.00 0.00 C ATOM 949 CD GLN A 66 8.346 -8.275 -2.833 1.00 0.00 C ATOM 950 OE1 GLN A 66 8.533 -9.042 -1.888 1.00 0.00 O ATOM 951 NE2 GLN A 66 9.275 -8.028 -3.749 1.00 0.00 N ATOM 0 H GLN A 66 3.763 -9.712 -3.786 1.00 0.00 H new ATOM 0 HA GLN A 66 4.361 -7.487 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.931 -9.337 -2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.961 -8.960 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.090 -6.872 -3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.817 -6.961 -2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.077 -7.385 -4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.187 -8.481 -3.686 1.00 0.00 H new ATOM 960 N VAL A 67 4.143 -5.497 -3.534 1.00 0.00 N ATOM 961 CA VAL A 67 4.026 -4.291 -4.345 1.00 0.00 C ATOM 962 C VAL A 67 5.383 -3.861 -4.889 1.00 0.00 C ATOM 963 O VAL A 67 6.268 -3.459 -4.134 1.00 0.00 O ATOM 964 CB VAL A 67 3.416 -3.129 -3.538 1.00 0.00 C ATOM 965 CG1 VAL A 67 3.309 -1.880 -4.399 1.00 0.00 C ATOM 966 CG2 VAL A 67 2.056 -3.523 -2.983 1.00 0.00 C ATOM 0 H VAL A 67 4.021 -5.345 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 67 3.364 -4.532 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 67 4.075 -2.907 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.876 -1.070 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.302 -1.589 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.673 -2.085 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.639 -2.691 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.386 -3.773 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.167 -4.388 -2.329 1.00 0.00 H new ATOM 976 N VAL A 68 5.540 -3.946 -6.206 1.00 0.00 N ATOM 977 CA VAL A 68 6.790 -3.564 -6.853 1.00 0.00 C ATOM 978 C VAL A 68 6.843 -2.060 -7.101 1.00 0.00 C ATOM 979 O VAL A 68 7.775 -1.381 -6.668 1.00 0.00 O ATOM 980 CB VAL A 68 6.976 -4.300 -8.193 1.00 0.00 C ATOM 981 CG1 VAL A 68 8.302 -3.918 -8.833 1.00 0.00 C ATOM 982 CG2 VAL A 68 6.887 -5.805 -7.991 1.00 0.00 C ATOM 0 H VAL A 68 4.817 -4.276 -6.846 1.00 0.00 H new ATOM 0 HA VAL A 68 7.596 -3.847 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 68 6.174 -3.998 -8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.416 -4.448 -9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.322 -2.843 -9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.120 -4.189 -8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.021 -6.309 -8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.666 -6.126 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.910 -6.060 -7.580 1.00 0.00 H new ATOM 992 N LEU A 69 5.837 -1.545 -7.799 1.00 0.00 N ATOM 993 CA LEU A 69 5.767 -0.120 -8.104 1.00 0.00 C ATOM 994 C LEU A 69 4.340 0.398 -7.962 1.00 0.00 C ATOM 995 O LEU A 69 3.380 -0.298 -8.296 1.00 0.00 O ATOM 996 CB LEU A 69 6.279 0.143 -9.521 1.00 0.00 C ATOM 997 CG LEU A 69 7.735 -0.239 -9.791 1.00 0.00 C ATOM 998 CD1 LEU A 69 8.028 -0.205 -11.283 1.00 0.00 C ATOM 999 CD2 LEU A 69 8.678 0.689 -9.039 1.00 0.00 C ATOM 0 H LEU A 69 5.058 -2.093 -8.165 1.00 0.00 H new ATOM 0 HA LEU A 69 6.398 0.411 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.646 -0.402 -10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.156 1.204 -9.739 1.00 0.00 H new ATOM 0 HG LEU A 69 7.896 -1.256 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.069 -0.480 -11.456 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.376 -0.911 -11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.849 0.800 -11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.710 0.402 -9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.515 1.716 -9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.485 0.614 -7.969 1.00 0.00 H new ATOM 1011 N ILE A 70 4.208 1.624 -7.466 1.00 0.00 N ATOM 1012 CA ILE A 70 2.898 2.236 -7.283 1.00 0.00 C ATOM 1013 C ILE A 70 2.697 3.401 -8.246 1.00 0.00 C ATOM 1014 O ILE A 70 3.490 4.341 -8.274 1.00 0.00 O ATOM 1015 CB ILE A 70 2.708 2.739 -5.840 1.00 0.00 C ATOM 1016 CG1 ILE A 70 2.495 1.559 -4.890 1.00 0.00 C ATOM 1017 CG2 ILE A 70 1.534 3.704 -5.766 1.00 0.00 C ATOM 1018 CD1 ILE A 70 2.395 1.964 -3.436 1.00 0.00 C ATOM 0 H ILE A 70 4.992 2.212 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 70 2.157 1.464 -7.490 1.00 0.00 H new ATOM 0 HB ILE A 70 3.609 3.270 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.584 1.033 -5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.319 0.856 -5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.412 4.051 -4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.723 4.557 -6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.625 3.196 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.244 1.077 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.315 2.464 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.553 2.644 -3.305 1.00 0.00 H new ATOM 1030 N ASN A 71 1.628 3.333 -9.034 1.00 0.00 N ATOM 1031 CA ASN A 71 1.322 4.384 -9.998 1.00 0.00 C ATOM 1032 C ASN A 71 2.531 4.686 -10.877 1.00 0.00 C ATOM 1033 O ASN A 71 2.778 5.835 -11.240 1.00 0.00 O ATOM 1034 CB ASN A 71 0.874 5.655 -9.274 1.00 0.00 C ATOM 1035 CG ASN A 71 -0.502 5.512 -8.652 1.00 0.00 C ATOM 1036 OD1 ASN A 71 -1.170 4.492 -8.824 1.00 0.00 O ATOM 1037 ND2 ASN A 71 -0.932 6.537 -7.926 1.00 0.00 N ATOM 0 H ASN A 71 0.960 2.562 -9.024 1.00 0.00 H new ATOM 0 HA ASN A 71 0.511 4.032 -10.635 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.597 5.901 -8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.867 6.487 -9.978 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.850 6.499 -7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.344 7.362 -7.811 1.00 0.00 H new ATOM 1044 N GLY A 72 3.284 3.643 -11.217 1.00 0.00 N ATOM 1045 CA GLY A 72 4.459 3.817 -12.052 1.00 0.00 C ATOM 1046 C GLY A 72 5.514 4.683 -11.393 1.00 0.00 C ATOM 1047 O GLY A 72 6.178 5.478 -12.058 1.00 0.00 O ATOM 0 H GLY A 72 3.101 2.682 -10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.886 2.841 -12.281 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.164 4.267 -13.000 1.00 0.00 H new ATOM 1051 N ARG A 73 5.669 4.530 -10.082 1.00 0.00 N ATOM 1052 CA ARG A 73 6.650 5.306 -9.333 1.00 0.00 C ATOM 1053 C ARG A 73 7.421 4.416 -8.362 1.00 0.00 C ATOM 1054 O ARG A 73 6.944 3.353 -7.967 1.00 0.00 O ATOM 1055 CB ARG A 73 5.960 6.436 -8.567 1.00 0.00 C ATOM 1056 CG ARG A 73 5.494 7.579 -9.455 1.00 0.00 C ATOM 1057 CD ARG A 73 4.528 8.496 -8.722 1.00 0.00 C ATOM 1058 NE ARG A 73 5.222 9.422 -7.831 1.00 0.00 N ATOM 1059 CZ ARG A 73 4.673 10.533 -7.352 1.00 0.00 C ATOM 1060 NH1 ARG A 73 3.428 10.854 -7.677 1.00 0.00 N ATOM 1061 NH2 ARG A 73 5.369 11.324 -6.546 1.00 0.00 N ATOM 0 H ARG A 73 5.128 3.876 -9.517 1.00 0.00 H new ATOM 0 HA ARG A 73 7.356 5.736 -10.044 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.102 6.030 -8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.647 6.827 -7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.357 8.153 -9.793 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.010 7.176 -10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.943 9.061 -9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.825 7.895 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 73 6.181 9.204 -7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.890 10.247 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.008 11.707 -7.308 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.327 11.079 -6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.947 12.177 -6.179 1.00 0.00 H new ATOM 1075 N ASP A 74 8.615 4.859 -7.984 1.00 0.00 N ATOM 1076 CA ASP A 74 9.453 4.103 -7.059 1.00 0.00 C ATOM 1077 C ASP A 74 8.893 4.169 -5.642 1.00 0.00 C ATOM 1078 O ASP A 74 8.633 5.251 -5.116 1.00 0.00 O ATOM 1079 CB ASP A 74 10.885 4.640 -7.081 1.00 0.00 C ATOM 1080 CG ASP A 74 10.995 6.021 -6.466 1.00 0.00 C ATOM 1081 OD1 ASP A 74 10.005 6.779 -6.529 1.00 0.00 O ATOM 1082 OD2 ASP A 74 12.072 6.344 -5.922 1.00 0.00 O ATOM 0 H ASP A 74 9.025 5.737 -8.303 1.00 0.00 H new ATOM 0 HA ASP A 74 9.459 3.061 -7.380 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.536 3.952 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.241 4.675 -8.111 1.00 0.00 H new ATOM 1087 N ILE A 75 8.709 3.004 -5.030 1.00 0.00 N ATOM 1088 CA ILE A 75 8.180 2.929 -3.673 1.00 0.00 C ATOM 1089 C ILE A 75 9.154 2.216 -2.742 1.00 0.00 C ATOM 1090 O ILE A 75 9.324 2.607 -1.588 1.00 0.00 O ATOM 1091 CB ILE A 75 6.824 2.199 -3.637 1.00 0.00 C ATOM 1092 CG1 ILE A 75 6.965 0.788 -4.212 1.00 0.00 C ATOM 1093 CG2 ILE A 75 5.776 2.989 -4.407 1.00 0.00 C ATOM 1094 CD1 ILE A 75 7.355 -0.249 -3.182 1.00 0.00 C ATOM 0 H ILE A 75 8.918 2.099 -5.452 1.00 0.00 H new ATOM 0 HA ILE A 75 8.040 3.955 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 75 6.499 2.118 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.020 0.495 -4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.713 0.801 -5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.824 2.460 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.660 3.975 -3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.092 3.099 -5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.436 -1.225 -3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.315 0.020 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.595 -0.290 -2.401 1.00 0.00 H new ATOM 1106 N ALA A 76 9.793 1.169 -3.252 1.00 0.00 N ATOM 1107 CA ALA A 76 10.754 0.403 -2.468 1.00 0.00 C ATOM 1108 C ALA A 76 11.798 1.317 -1.835 1.00 0.00 C ATOM 1109 O ALA A 76 12.232 1.089 -0.706 1.00 0.00 O ATOM 1110 CB ALA A 76 11.427 -0.649 -3.337 1.00 0.00 C ATOM 0 H ALA A 76 9.663 0.831 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 76 10.213 -0.098 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.142 -1.213 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.673 -1.328 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.949 -0.161 -4.160 1.00 0.00 H new ATOM 1116 N GLU A 77 12.197 2.350 -2.571 1.00 0.00 N ATOM 1117 CA GLU A 77 13.192 3.296 -2.081 1.00 0.00 C ATOM 1118 C GLU A 77 12.599 4.202 -1.006 1.00 0.00 C ATOM 1119 O GLU A 77 13.326 4.808 -0.217 1.00 0.00 O ATOM 1120 CB GLU A 77 13.735 4.142 -3.234 1.00 0.00 C ATOM 1121 CG GLU A 77 14.877 3.482 -3.989 1.00 0.00 C ATOM 1122 CD GLU A 77 15.618 4.451 -4.889 1.00 0.00 C ATOM 1123 OE1 GLU A 77 16.067 5.503 -4.388 1.00 0.00 O ATOM 1124 OE2 GLU A 77 15.749 4.157 -6.096 1.00 0.00 O ATOM 0 H GLU A 77 11.847 2.552 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 77 14.011 2.727 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.924 4.354 -3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.076 5.100 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.577 3.048 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.484 2.662 -4.590 1.00 0.00 H new ATOM 1131 N HIS A 78 11.273 4.290 -0.981 1.00 0.00 N ATOM 1132 CA HIS A 78 10.580 5.123 -0.003 1.00 0.00 C ATOM 1133 C HIS A 78 10.283 4.333 1.268 1.00 0.00 C ATOM 1134 O HIS A 78 10.382 3.106 1.288 1.00 0.00 O ATOM 1135 CB HIS A 78 9.280 5.667 -0.595 1.00 0.00 C ATOM 1136 CG HIS A 78 9.485 6.519 -1.809 1.00 0.00 C ATOM 1137 ND1 HIS A 78 8.538 7.408 -2.274 1.00 0.00 N ATOM 1138 CD2 HIS A 78 10.537 6.617 -2.655 1.00 0.00 C ATOM 1139 CE1 HIS A 78 8.999 8.014 -3.353 1.00 0.00 C ATOM 1140 NE2 HIS A 78 10.210 7.552 -3.606 1.00 0.00 N ATOM 0 H HIS A 78 10.657 3.795 -1.626 1.00 0.00 H new ATOM 0 HA HIS A 78 11.231 5.959 0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.630 4.831 -0.854 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.761 6.251 0.165 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.462 6.063 -2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.475 8.761 -3.931 1.00 0.00 H new ATOM 0 HE2 HIS A 78 10.805 7.842 -4.382 1.00 0.00 H new ATOM 1149 N THR A 79 9.919 5.046 2.330 1.00 0.00 N ATOM 1150 CA THR A 79 9.609 4.413 3.606 1.00 0.00 C ATOM 1151 C THR A 79 8.161 3.939 3.647 1.00 0.00 C ATOM 1152 O THR A 79 7.382 4.211 2.733 1.00 0.00 O ATOM 1153 CB THR A 79 9.857 5.374 4.784 1.00 0.00 C ATOM 1154 OG1 THR A 79 9.202 6.624 4.543 1.00 0.00 O ATOM 1155 CG2 THR A 79 11.346 5.607 4.988 1.00 0.00 C ATOM 0 H THR A 79 9.832 6.062 2.331 1.00 0.00 H new ATOM 0 HA THR A 79 10.272 3.553 3.702 1.00 0.00 H new ATOM 0 HB THR A 79 9.450 4.919 5.687 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.363 7.229 5.297 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.496 6.289 5.825 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.837 4.657 5.201 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.773 6.042 4.085 1.00 0.00 H new ATOM 1163 N HIS A 80 7.806 3.229 4.714 1.00 0.00 N ATOM 1164 CA HIS A 80 6.450 2.718 4.875 1.00 0.00 C ATOM 1165 C HIS A 80 5.430 3.851 4.803 1.00 0.00 C ATOM 1166 O HIS A 80 4.447 3.769 4.066 1.00 0.00 O ATOM 1167 CB HIS A 80 6.315 1.979 6.207 1.00 0.00 C ATOM 1168 CG HIS A 80 4.915 1.545 6.512 1.00 0.00 C ATOM 1169 ND1 HIS A 80 4.459 0.263 6.292 1.00 0.00 N ATOM 1170 CD2 HIS A 80 3.867 2.232 7.025 1.00 0.00 C ATOM 1171 CE1 HIS A 80 3.192 0.179 6.656 1.00 0.00 C ATOM 1172 NE2 HIS A 80 2.808 1.361 7.104 1.00 0.00 N ATOM 0 H HIS A 80 8.439 2.995 5.479 1.00 0.00 H new ATOM 0 HA HIS A 80 6.252 2.022 4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.964 1.103 6.194 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.669 2.626 7.010 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.864 3.272 7.318 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.575 -0.705 6.597 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.877 1.590 7.452 1.00 0.00 H new ATOM 1181 N ASP A 81 5.671 4.906 5.573 1.00 0.00 N ATOM 1182 CA ASP A 81 4.774 6.056 5.596 1.00 0.00 C ATOM 1183 C ASP A 81 4.500 6.561 4.183 1.00 0.00 C ATOM 1184 O ASP A 81 3.360 6.551 3.721 1.00 0.00 O ATOM 1185 CB ASP A 81 5.371 7.179 6.446 1.00 0.00 C ATOM 1186 CG ASP A 81 5.647 6.743 7.871 1.00 0.00 C ATOM 1187 OD1 ASP A 81 6.019 5.567 8.071 1.00 0.00 O ATOM 1188 OD2 ASP A 81 5.491 7.577 8.787 1.00 0.00 O ATOM 0 H ASP A 81 6.479 4.989 6.189 1.00 0.00 H new ATOM 0 HA ASP A 81 3.829 5.739 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.299 7.523 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.686 8.027 6.455 1.00 0.00 H new ATOM 1193 N GLN A 82 5.554 7.002 3.503 1.00 0.00 N ATOM 1194 CA GLN A 82 5.426 7.512 2.143 1.00 0.00 C ATOM 1195 C GLN A 82 4.487 6.637 1.320 1.00 0.00 C ATOM 1196 O GLN A 82 3.550 7.132 0.693 1.00 0.00 O ATOM 1197 CB GLN A 82 6.798 7.581 1.471 1.00 0.00 C ATOM 1198 CG GLN A 82 6.913 8.689 0.436 1.00 0.00 C ATOM 1199 CD GLN A 82 5.745 8.709 -0.529 1.00 0.00 C ATOM 1200 OE1 GLN A 82 5.262 7.662 -0.960 1.00 0.00 O ATOM 1201 NE2 GLN A 82 5.283 9.905 -0.874 1.00 0.00 N ATOM 0 H GLN A 82 6.505 7.016 3.871 1.00 0.00 H new ATOM 0 HA GLN A 82 5.004 8.516 2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.561 7.729 2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.007 6.624 0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.976 9.651 0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.840 8.563 -0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.713 10.747 -0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.498 9.981 -1.520 1.00 0.00 H new ATOM 1210 N VAL A 83 4.744 5.333 1.325 1.00 0.00 N ATOM 1211 CA VAL A 83 3.921 4.388 0.579 1.00 0.00 C ATOM 1212 C VAL A 83 2.450 4.522 0.958 1.00 0.00 C ATOM 1213 O VAL A 83 1.576 4.570 0.093 1.00 0.00 O ATOM 1214 CB VAL A 83 4.373 2.936 0.822 1.00 0.00 C ATOM 1215 CG1 VAL A 83 3.346 1.958 0.272 1.00 0.00 C ATOM 1216 CG2 VAL A 83 5.739 2.693 0.200 1.00 0.00 C ATOM 0 H VAL A 83 5.516 4.907 1.838 1.00 0.00 H new ATOM 0 HA VAL A 83 4.044 4.626 -0.478 1.00 0.00 H new ATOM 0 HB VAL A 83 4.454 2.774 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.682 0.937 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.389 2.118 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.230 2.117 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.043 1.662 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.687 2.873 -0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.468 3.370 0.646 1.00 0.00 H new ATOM 1226 N VAL A 84 2.183 4.581 2.259 1.00 0.00 N ATOM 1227 CA VAL A 84 0.818 4.711 2.755 1.00 0.00 C ATOM 1228 C VAL A 84 0.124 5.923 2.143 1.00 0.00 C ATOM 1229 O VAL A 84 -1.102 5.958 2.028 1.00 0.00 O ATOM 1230 CB VAL A 84 0.787 4.836 4.289 1.00 0.00 C ATOM 1231 CG1 VAL A 84 -0.634 5.072 4.778 1.00 0.00 C ATOM 1232 CG2 VAL A 84 1.383 3.595 4.937 1.00 0.00 C ATOM 0 H VAL A 84 2.894 4.541 2.989 1.00 0.00 H new ATOM 0 HA VAL A 84 0.287 3.805 2.461 1.00 0.00 H new ATOM 0 HB VAL A 84 1.392 5.695 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.635 5.158 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.021 5.992 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.265 4.235 4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.353 3.701 6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.807 2.718 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.417 3.476 4.613 1.00 0.00 H new ATOM 1242 N LEU A 85 0.916 6.915 1.750 1.00 0.00 N ATOM 1243 CA LEU A 85 0.378 8.130 1.149 1.00 0.00 C ATOM 1244 C LEU A 85 0.100 7.925 -0.337 1.00 0.00 C ATOM 1245 O LEU A 85 -0.947 8.329 -0.845 1.00 0.00 O ATOM 1246 CB LEU A 85 1.353 9.293 1.341 1.00 0.00 C ATOM 1247 CG LEU A 85 1.218 10.073 2.649 1.00 0.00 C ATOM 1248 CD1 LEU A 85 1.661 9.220 3.828 1.00 0.00 C ATOM 1249 CD2 LEU A 85 2.025 11.361 2.587 1.00 0.00 C ATOM 0 H LEU A 85 1.932 6.902 1.837 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.562 8.366 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.369 8.903 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.225 9.989 0.512 1.00 0.00 H new ATOM 0 HG LEU A 85 0.168 10.332 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.558 9.792 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.040 8.326 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.703 8.930 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.917 11.903 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.076 11.124 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.660 11.980 1.767 1.00 0.00 H new ATOM 1261 N PHE A 86 1.042 7.293 -1.028 1.00 0.00 N ATOM 1262 CA PHE A 86 0.899 7.033 -2.456 1.00 0.00 C ATOM 1263 C PHE A 86 -0.497 6.504 -2.775 1.00 0.00 C ATOM 1264 O PHE A 86 -1.021 6.725 -3.867 1.00 0.00 O ATOM 1265 CB PHE A 86 1.955 6.029 -2.922 1.00 0.00 C ATOM 1266 CG PHE A 86 3.235 6.672 -3.374 1.00 0.00 C ATOM 1267 CD1 PHE A 86 3.213 7.768 -4.221 1.00 0.00 C ATOM 1268 CD2 PHE A 86 4.459 6.181 -2.952 1.00 0.00 C ATOM 1269 CE1 PHE A 86 4.390 8.361 -4.639 1.00 0.00 C ATOM 1270 CE2 PHE A 86 5.639 6.770 -3.366 1.00 0.00 C ATOM 1271 CZ PHE A 86 5.604 7.862 -4.210 1.00 0.00 C ATOM 0 H PHE A 86 1.913 6.951 -0.622 1.00 0.00 H new ATOM 0 HA PHE A 86 1.043 7.974 -2.987 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.173 5.338 -2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.546 5.437 -3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.266 8.163 -4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.492 5.327 -2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 86 4.360 9.214 -5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.587 6.377 -3.030 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.524 8.325 -4.534 1.00 0.00 H new ATOM 1281 N ILE A 87 -1.092 5.805 -1.814 1.00 0.00 N ATOM 1282 CA ILE A 87 -2.426 5.246 -1.992 1.00 0.00 C ATOM 1283 C ILE A 87 -3.501 6.302 -1.757 1.00 0.00 C ATOM 1284 O ILE A 87 -4.360 6.530 -2.609 1.00 0.00 O ATOM 1285 CB ILE A 87 -2.671 4.060 -1.040 1.00 0.00 C ATOM 1286 CG1 ILE A 87 -1.487 3.091 -1.082 1.00 0.00 C ATOM 1287 CG2 ILE A 87 -3.962 3.344 -1.406 1.00 0.00 C ATOM 1288 CD1 ILE A 87 -1.332 2.271 0.179 1.00 0.00 C ATOM 0 H ILE A 87 -0.671 5.613 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.485 4.894 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.767 4.443 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.609 2.418 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.571 3.657 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.121 2.509 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.798 4.039 -1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.894 2.970 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.474 1.607 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.178 2.936 1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.232 1.678 0.340 1.00 0.00 H new ATOM 1300 N LYS A 88 -3.446 6.945 -0.596 1.00 0.00 N ATOM 1301 CA LYS A 88 -4.412 7.980 -0.248 1.00 0.00 C ATOM 1302 C LYS A 88 -4.467 9.058 -1.326 1.00 0.00 C ATOM 1303 O LYS A 88 -5.546 9.491 -1.730 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.053 8.610 1.100 1.00 0.00 C ATOM 1305 CG LYS A 88 -4.402 7.736 2.292 1.00 0.00 C ATOM 1306 CD LYS A 88 -4.201 8.475 3.604 1.00 0.00 C ATOM 1307 CE LYS A 88 -4.495 7.581 4.799 1.00 0.00 C ATOM 1308 NZ LYS A 88 -5.911 7.119 4.811 1.00 0.00 N ATOM 0 H LYS A 88 -2.742 6.767 0.121 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.395 7.514 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.985 8.825 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.572 9.564 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -5.439 7.409 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.783 6.839 2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.175 8.839 3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.851 9.349 3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.831 6.717 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.282 8.124 5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.123 6.672 5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.543 7.933 4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.058 6.429 4.047 1.00 0.00 H new ATOM 1322 N ALA A 89 -3.297 9.486 -1.788 1.00 0.00 N ATOM 1323 CA ALA A 89 -3.212 10.510 -2.822 1.00 0.00 C ATOM 1324 C ALA A 89 -4.280 10.302 -3.890 1.00 0.00 C ATOM 1325 O ALA A 89 -4.885 11.259 -4.372 1.00 0.00 O ATOM 1326 CB ALA A 89 -1.826 10.512 -3.451 1.00 0.00 C ATOM 0 H ALA A 89 -2.395 9.139 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.388 11.479 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.777 11.282 -4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.079 10.718 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.628 9.538 -3.898 1.00 0.00 H new ATOM 1429 N GLU A 97 -8.119 7.261 -9.465 1.00 0.00 N ATOM 1430 CA GLU A 97 -8.076 5.807 -9.559 1.00 0.00 C ATOM 1431 C GLU A 97 -6.919 5.243 -8.739 1.00 0.00 C ATOM 1432 O GLU A 97 -6.144 5.991 -8.142 1.00 0.00 O ATOM 1433 CB GLU A 97 -7.940 5.371 -11.019 1.00 0.00 C ATOM 1434 CG GLU A 97 -6.589 5.700 -11.630 1.00 0.00 C ATOM 1435 CD GLU A 97 -6.557 7.073 -12.271 1.00 0.00 C ATOM 1436 OE1 GLU A 97 -7.186 7.246 -13.336 1.00 0.00 O ATOM 1437 OE2 GLU A 97 -5.903 7.976 -11.708 1.00 0.00 O ATOM 0 HA GLU A 97 -9.010 5.415 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.107 4.296 -11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.722 5.852 -11.607 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.822 5.646 -10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.340 4.948 -12.379 1.00 0.00 H new ATOM 1444 N LEU A 98 -6.809 3.919 -8.714 1.00 0.00 N ATOM 1445 CA LEU A 98 -5.748 3.253 -7.967 1.00 0.00 C ATOM 1446 C LEU A 98 -5.023 2.235 -8.842 1.00 0.00 C ATOM 1447 O LEU A 98 -5.654 1.425 -9.520 1.00 0.00 O ATOM 1448 CB LEU A 98 -6.323 2.562 -6.730 1.00 0.00 C ATOM 1449 CG LEU A 98 -5.385 2.445 -5.529 1.00 0.00 C ATOM 1450 CD1 LEU A 98 -4.234 1.501 -5.840 1.00 0.00 C ATOM 1451 CD2 LEU A 98 -4.859 3.816 -5.127 1.00 0.00 C ATOM 0 H LEU A 98 -7.442 3.286 -9.203 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.030 4.010 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.215 3.105 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.643 1.560 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.949 2.034 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.577 1.430 -4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.628 0.513 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.671 1.882 -6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.193 3.713 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.312 4.255 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.695 4.463 -4.861 1.00 0.00 H new ATOM 1463 N MET A 99 -3.695 2.281 -8.819 1.00 0.00 N ATOM 1464 CA MET A 99 -2.885 1.360 -9.607 1.00 0.00 C ATOM 1465 C MET A 99 -1.745 0.787 -8.771 1.00 0.00 C ATOM 1466 O MET A 99 -0.966 1.530 -8.172 1.00 0.00 O ATOM 1467 CB MET A 99 -2.322 2.069 -10.840 1.00 0.00 C ATOM 1468 CG MET A 99 -3.359 2.321 -11.922 1.00 0.00 C ATOM 1469 SD MET A 99 -2.692 3.239 -13.324 1.00 0.00 S ATOM 1470 CE MET A 99 -3.224 2.208 -14.688 1.00 0.00 C ATOM 0 H MET A 99 -3.157 2.946 -8.263 1.00 0.00 H new ATOM 0 HA MET A 99 -3.524 0.538 -9.930 1.00 0.00 H new ATOM 0 HB2 MET A 99 -1.888 3.021 -10.535 1.00 0.00 H new ATOM 0 HB3 MET A 99 -1.513 1.469 -11.256 1.00 0.00 H new ATOM 0 HG2 MET A 99 -3.753 1.367 -12.272 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.196 2.874 -11.496 1.00 0.00 H new ATOM 0 HE1 MET A 99 -2.980 2.698 -15.631 1.00 0.00 H new ATOM 0 HE2 MET A 99 -2.715 1.245 -14.637 1.00 0.00 H new ATOM 0 HE3 MET A 99 -4.301 2.052 -14.628 1.00 0.00 H new ATOM 1480 N LEU A 100 -1.652 -0.538 -8.734 1.00 0.00 N ATOM 1481 CA LEU A 100 -0.606 -1.211 -7.971 1.00 0.00 C ATOM 1482 C LEU A 100 0.079 -2.282 -8.814 1.00 0.00 C ATOM 1483 O LEU A 100 -0.560 -3.233 -9.266 1.00 0.00 O ATOM 1484 CB LEU A 100 -1.195 -1.838 -6.707 1.00 0.00 C ATOM 1485 CG LEU A 100 -2.148 -0.956 -5.900 1.00 0.00 C ATOM 1486 CD1 LEU A 100 -3.052 -1.809 -5.024 1.00 0.00 C ATOM 1487 CD2 LEU A 100 -1.366 0.039 -5.054 1.00 0.00 C ATOM 0 H LEU A 100 -2.288 -1.168 -9.223 1.00 0.00 H new ATOM 0 HA LEU A 100 0.139 -0.468 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.726 -2.747 -6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.373 -2.138 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.774 -0.398 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.723 -1.164 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.638 -2.481 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.444 -2.395 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.060 0.659 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.715 -0.501 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.762 0.673 -5.703 1.00 0.00 H new ATOM 1499 N LEU A 101 1.381 -2.123 -9.018 1.00 0.00 N ATOM 1500 CA LEU A 101 2.155 -3.078 -9.804 1.00 0.00 C ATOM 1501 C LEU A 101 2.754 -4.159 -8.911 1.00 0.00 C ATOM 1502 O LEU A 101 3.764 -3.938 -8.243 1.00 0.00 O ATOM 1503 CB LEU A 101 3.266 -2.358 -10.569 1.00 0.00 C ATOM 1504 CG LEU A 101 4.016 -3.192 -11.608 1.00 0.00 C ATOM 1505 CD1 LEU A 101 3.139 -3.444 -12.825 1.00 0.00 C ATOM 1506 CD2 LEU A 101 5.310 -2.502 -12.014 1.00 0.00 C ATOM 0 H LEU A 101 1.924 -1.342 -8.650 1.00 0.00 H new ATOM 0 HA LEU A 101 1.482 -3.554 -10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.832 -1.493 -11.071 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.989 -1.978 -9.847 1.00 0.00 H new ATOM 0 HG LEU A 101 4.266 -4.154 -11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.690 -4.039 -13.553 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.241 -3.982 -12.521 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.857 -2.492 -13.274 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.830 -3.110 -12.754 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.083 -1.526 -12.442 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.945 -2.375 -11.137 1.00 0.00 H new ATOM 1518 N VAL A 102 2.127 -5.331 -8.906 1.00 0.00 N ATOM 1519 CA VAL A 102 2.600 -6.449 -8.098 1.00 0.00 C ATOM 1520 C VAL A 102 3.360 -7.459 -8.949 1.00 0.00 C ATOM 1521 O VAL A 102 3.196 -7.507 -10.168 1.00 0.00 O ATOM 1522 CB VAL A 102 1.433 -7.163 -7.390 1.00 0.00 C ATOM 1523 CG1 VAL A 102 0.704 -6.205 -6.461 1.00 0.00 C ATOM 1524 CG2 VAL A 102 0.476 -7.760 -8.412 1.00 0.00 C ATOM 0 H VAL A 102 1.290 -5.531 -9.453 1.00 0.00 H new ATOM 0 HA VAL A 102 3.272 -6.035 -7.346 1.00 0.00 H new ATOM 0 HB VAL A 102 1.839 -7.975 -6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.117 -6.728 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.397 -5.830 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.308 -5.369 -7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.343 -8.261 -7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.075 -6.966 -9.042 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.009 -8.481 -9.032 1.00 0.00 H new ATOM 1534 N ARG A 103 4.190 -8.267 -8.298 1.00 0.00 N ATOM 1535 CA ARG A 103 4.976 -9.278 -8.996 1.00 0.00 C ATOM 1536 C ARG A 103 4.434 -10.677 -8.717 1.00 0.00 C ATOM 1537 O ARG A 103 4.587 -11.222 -7.624 1.00 0.00 O ATOM 1538 CB ARG A 103 6.444 -9.195 -8.572 1.00 0.00 C ATOM 1539 CG ARG A 103 7.403 -9.821 -9.572 1.00 0.00 C ATOM 1540 CD ARG A 103 8.779 -10.039 -8.963 1.00 0.00 C ATOM 1541 NE ARG A 103 8.886 -11.337 -8.302 1.00 0.00 N ATOM 1542 CZ ARG A 103 10.025 -11.828 -7.828 1.00 0.00 C ATOM 1543 NH1 ARG A 103 11.148 -11.133 -7.940 1.00 0.00 N ATOM 1544 NH2 ARG A 103 10.042 -13.017 -7.239 1.00 0.00 N ATOM 0 H ARG A 103 4.336 -8.242 -7.289 1.00 0.00 H new ATOM 0 HA ARG A 103 4.902 -9.085 -10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.714 -8.149 -8.429 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.564 -9.690 -7.608 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.001 -10.774 -9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.489 -9.177 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.536 -9.966 -9.743 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.986 -9.247 -8.243 1.00 0.00 H new ATOM 0 HE ARG A 103 8.040 -11.897 -8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.139 -10.218 -8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.021 -11.513 -7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.180 -13.554 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.917 -13.393 -6.875 1.00 0.00 H new ATOM 1558 N PRO A 104 3.785 -11.272 -9.728 1.00 0.00 N ATOM 1559 CA PRO A 104 3.206 -12.614 -9.616 1.00 0.00 C ATOM 1560 C PRO A 104 4.274 -13.700 -9.533 1.00 0.00 C ATOM 1561 O PRO A 104 5.353 -13.569 -10.109 1.00 0.00 O ATOM 1562 CB PRO A 104 2.395 -12.760 -10.906 1.00 0.00 C ATOM 1563 CG PRO A 104 3.052 -11.837 -11.873 1.00 0.00 C ATOM 1564 CD PRO A 104 3.565 -10.681 -11.059 1.00 0.00 C ATOM 0 HA PRO A 104 2.613 -12.728 -8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 104 2.409 -13.788 -11.268 1.00 0.00 H new ATOM 0 HB3 PRO A 104 1.350 -12.491 -10.749 1.00 0.00 H new ATOM 0 HG2 PRO A 104 3.866 -12.337 -12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 104 2.345 -11.498 -12.630 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.487 -10.274 -11.475 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.844 -9.864 -11.022 1.00 0.00 H new