USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=9 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 Single : A 21 MET CE :methyl 179:sc= -3.46! (180deg=-3.49!) USER MOD Single : A 22 LYS NZ :NH3+ -169:sc=-0.000652 (180deg=-0.0702) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 32 ASN : amide:sc= -0.206 K(o=-0.21,f=-2.2!) 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= -2.34! C(o=-2.3!,f=-4.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 179:sc= 0 (180deg=-0.000146) USER MOD Single : A 46 SER OG : rot 161:sc= -1.27 USER MOD Single : A 52 THR OG1 : rot -134:sc= 1.15 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 62 ASN : amide:sc= 0.149 K(o=0.15,f=-5.9!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0.363 K(o=0.36,f=-6.4!) USER MOD Single : A 78 HIS : no HD1:sc= -0.767 K(o=-0.77,f=-1.7!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.24) USER MOD Single : A 82 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -119:sc= -0.726 (180deg=-3.33!) USER MOD ----------------------------------------------------------------- ATOM 171 N LEU A 16 4.213 -9.790 -15.520 1.00 0.00 N ATOM 172 CA LEU A 16 3.745 -9.358 -14.208 1.00 0.00 C ATOM 173 C LEU A 16 2.241 -9.105 -14.222 1.00 0.00 C ATOM 174 O LEU A 16 1.666 -8.774 -15.259 1.00 0.00 O ATOM 175 CB LEU A 16 4.483 -8.090 -13.774 1.00 0.00 C ATOM 176 CG LEU A 16 5.831 -8.301 -13.084 1.00 0.00 C ATOM 177 CD1 LEU A 16 5.643 -9.004 -11.749 1.00 0.00 C ATOM 178 CD2 LEU A 16 6.770 -9.095 -13.979 1.00 0.00 C ATOM 0 HA LEU A 16 3.954 -10.155 -13.495 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.642 -7.467 -14.654 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.836 -7.530 -13.099 1.00 0.00 H new ATOM 0 HG LEU A 16 6.278 -7.325 -12.897 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.613 -9.146 -11.273 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.007 -8.397 -11.104 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.174 -9.974 -11.912 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.724 -9.235 -13.471 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.329 -10.067 -14.198 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.931 -8.552 -14.910 1.00 0.00 H new ATOM 190 N VAL A 17 1.609 -9.262 -13.063 1.00 0.00 N ATOM 191 CA VAL A 17 0.172 -9.047 -12.941 1.00 0.00 C ATOM 192 C VAL A 17 -0.137 -7.607 -12.549 1.00 0.00 C ATOM 193 O VAL A 17 0.650 -6.956 -11.861 1.00 0.00 O ATOM 194 CB VAL A 17 -0.450 -9.996 -11.899 1.00 0.00 C ATOM 195 CG1 VAL A 17 0.035 -9.646 -10.501 1.00 0.00 C ATOM 196 CG2 VAL A 17 -1.969 -9.945 -11.973 1.00 0.00 C ATOM 0 H VAL A 17 2.069 -9.537 -12.195 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.264 -9.256 -13.918 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.131 -11.014 -12.124 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.415 -10.327 -9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.120 -9.738 -10.459 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.252 -8.622 -10.262 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.392 -10.621 -11.230 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.309 -8.929 -11.774 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.295 -10.249 -12.968 1.00 0.00 H new ATOM 206 N LEU A 18 -1.289 -7.114 -12.991 1.00 0.00 N ATOM 207 CA LEU A 18 -1.704 -5.749 -12.686 1.00 0.00 C ATOM 208 C LEU A 18 -2.950 -5.742 -11.806 1.00 0.00 C ATOM 209 O LEU A 18 -3.823 -6.600 -11.942 1.00 0.00 O ATOM 210 CB LEU A 18 -1.975 -4.977 -13.979 1.00 0.00 C ATOM 211 CG LEU A 18 -2.460 -3.536 -13.811 1.00 0.00 C ATOM 212 CD1 LEU A 18 -1.280 -2.591 -13.652 1.00 0.00 C ATOM 213 CD2 LEU A 18 -3.321 -3.122 -14.995 1.00 0.00 C ATOM 0 H LEU A 18 -1.952 -7.639 -13.561 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.895 -5.262 -12.142 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.059 -4.964 -14.570 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.720 -5.525 -14.557 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.068 -3.480 -12.908 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.644 -1.571 -13.534 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.703 -2.874 -12.772 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.645 -2.649 -14.536 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.657 -2.094 -14.859 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.737 -3.194 -15.912 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.187 -3.781 -15.063 1.00 0.00 H new ATOM 225 N ILE A 19 -3.026 -4.768 -10.906 1.00 0.00 N ATOM 226 CA ILE A 19 -4.167 -4.649 -10.006 1.00 0.00 C ATOM 227 C ILE A 19 -4.925 -3.348 -10.249 1.00 0.00 C ATOM 228 O ILE A 19 -4.351 -2.261 -10.182 1.00 0.00 O ATOM 229 CB ILE A 19 -3.728 -4.706 -8.531 1.00 0.00 C ATOM 230 CG1 ILE A 19 -3.038 -6.038 -8.232 1.00 0.00 C ATOM 231 CG2 ILE A 19 -4.926 -4.507 -7.614 1.00 0.00 C ATOM 232 CD1 ILE A 19 -4.003 -7.172 -7.962 1.00 0.00 C ATOM 0 H ILE A 19 -2.312 -4.050 -10.780 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.823 -5.494 -10.214 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.016 -3.901 -8.348 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.402 -6.306 -9.076 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.385 -5.914 -7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.600 -4.550 -6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.379 -3.536 -7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.659 -5.293 -7.797 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.444 -8.085 -7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.622 -6.925 -7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.639 -7.324 -8.834 1.00 0.00 H new ATOM 244 N ARG A 20 -6.218 -3.467 -10.531 1.00 0.00 N ATOM 245 CA ARG A 20 -7.056 -2.301 -10.784 1.00 0.00 C ATOM 246 C ARG A 20 -8.223 -2.246 -9.802 1.00 0.00 C ATOM 247 O ARG A 20 -8.856 -3.263 -9.519 1.00 0.00 O ATOM 248 CB ARG A 20 -7.584 -2.327 -12.219 1.00 0.00 C ATOM 249 CG ARG A 20 -6.621 -1.730 -13.233 1.00 0.00 C ATOM 250 CD ARG A 20 -7.096 -1.967 -14.658 1.00 0.00 C ATOM 251 NE ARG A 20 -6.621 -3.242 -15.189 1.00 0.00 N ATOM 252 CZ ARG A 20 -6.503 -3.500 -16.486 1.00 0.00 C ATOM 253 NH1 ARG A 20 -6.823 -2.575 -17.381 1.00 0.00 N ATOM 254 NH2 ARG A 20 -6.063 -4.684 -16.892 1.00 0.00 N ATOM 0 H ARG A 20 -6.708 -4.359 -10.590 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.445 -1.409 -10.645 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.800 -3.358 -12.499 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.527 -1.781 -12.260 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.521 -0.659 -13.055 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.632 -2.169 -13.100 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.185 -1.947 -14.685 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.746 -1.156 -15.296 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.366 -3.975 -14.527 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.161 -1.663 -17.073 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.731 -2.776 -18.377 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.815 -5.398 -16.207 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.973 -4.880 -17.889 1.00 0.00 H new ATOM 268 N MET A 21 -8.500 -1.053 -9.286 1.00 0.00 N ATOM 269 CA MET A 21 -9.591 -0.867 -8.336 1.00 0.00 C ATOM 270 C MET A 21 -9.969 0.607 -8.226 1.00 0.00 C ATOM 271 O MET A 21 -9.161 1.489 -8.515 1.00 0.00 O ATOM 272 CB MET A 21 -9.197 -1.409 -6.961 1.00 0.00 C ATOM 273 CG MET A 21 -8.125 -0.584 -6.267 1.00 0.00 C ATOM 274 SD MET A 21 -6.456 -1.079 -6.734 1.00 0.00 S ATOM 275 CE MET A 21 -6.115 -2.330 -5.499 1.00 0.00 C ATOM 0 H MET A 21 -7.985 -0.201 -9.509 1.00 0.00 H new ATOM 0 HA MET A 21 -10.456 -1.420 -8.701 1.00 0.00 H new ATOM 0 HB2 MET A 21 -10.083 -1.446 -6.327 1.00 0.00 H new ATOM 0 HB3 MET A 21 -8.841 -2.433 -7.072 1.00 0.00 H new ATOM 0 HG2 MET A 21 -8.269 0.469 -6.510 1.00 0.00 H new ATOM 0 HG3 MET A 21 -8.240 -0.681 -5.187 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.121 -2.746 -5.667 1.00 0.00 H new ATOM 0 HE2 MET A 21 -6.158 -1.882 -4.506 1.00 0.00 H new ATOM 0 HE3 MET A 21 -6.858 -3.125 -5.571 1.00 0.00 H new ATOM 285 N LYS A 22 -11.202 0.866 -7.805 1.00 0.00 N ATOM 286 CA LYS A 22 -11.688 2.233 -7.655 1.00 0.00 C ATOM 287 C LYS A 22 -12.053 2.524 -6.203 1.00 0.00 C ATOM 288 O LYS A 22 -12.465 1.640 -5.451 1.00 0.00 O ATOM 289 CB LYS A 22 -12.905 2.465 -8.553 1.00 0.00 C ATOM 290 CG LYS A 22 -14.087 1.571 -8.221 1.00 0.00 C ATOM 291 CD LYS A 22 -15.046 1.454 -9.393 1.00 0.00 C ATOM 292 CE LYS A 22 -15.995 2.641 -9.456 1.00 0.00 C ATOM 293 NZ LYS A 22 -17.049 2.564 -8.407 1.00 0.00 N ATOM 0 H LYS A 22 -11.884 0.147 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.889 2.911 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.214 3.507 -8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.616 2.300 -9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.728 0.580 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.616 1.972 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.480 1.389 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.620 0.532 -9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.429 3.565 -9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.463 2.680 -10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.779 3.281 -8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.481 1.618 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.624 2.739 -7.474 1.00 0.00 H new ATOM 307 N PRO A 23 -11.900 3.794 -5.796 1.00 0.00 N ATOM 308 CA PRO A 23 -12.209 4.231 -4.432 1.00 0.00 C ATOM 309 C PRO A 23 -13.707 4.216 -4.144 1.00 0.00 C ATOM 310 O PRO A 23 -14.523 4.424 -5.042 1.00 0.00 O ATOM 311 CB PRO A 23 -11.670 5.663 -4.387 1.00 0.00 C ATOM 312 CG PRO A 23 -11.692 6.120 -5.805 1.00 0.00 C ATOM 313 CD PRO A 23 -11.413 4.900 -6.638 1.00 0.00 C ATOM 0 HA PRO A 23 -11.769 3.572 -3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.290 6.300 -3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.661 5.694 -3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.659 6.554 -6.060 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.941 6.891 -5.978 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.936 4.938 -7.594 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.351 4.799 -6.859 1.00 0.00 H new ATOM 321 N ASP A 24 -14.060 3.970 -2.888 1.00 0.00 N ATOM 322 CA ASP A 24 -15.460 3.929 -2.481 1.00 0.00 C ATOM 323 C ASP A 24 -15.958 5.323 -2.110 1.00 0.00 C ATOM 324 O ASP A 24 -15.232 6.307 -2.243 1.00 0.00 O ATOM 325 CB ASP A 24 -15.643 2.977 -1.299 1.00 0.00 C ATOM 326 CG ASP A 24 -15.431 3.663 0.036 1.00 0.00 C ATOM 327 OD1 ASP A 24 -14.262 3.933 0.386 1.00 0.00 O ATOM 328 OD2 ASP A 24 -16.433 3.932 0.731 1.00 0.00 O ATOM 0 H ASP A 24 -13.396 3.796 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 24 -16.047 3.565 -3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.646 2.552 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.943 2.147 -1.393 1.00 0.00 H new ATOM 333 N GLU A 25 -17.202 5.397 -1.644 1.00 0.00 N ATOM 334 CA GLU A 25 -17.797 6.670 -1.256 1.00 0.00 C ATOM 335 C GLU A 25 -16.869 7.441 -0.322 1.00 0.00 C ATOM 336 O GLU A 25 -16.548 8.603 -0.569 1.00 0.00 O ATOM 337 CB GLU A 25 -19.148 6.440 -0.575 1.00 0.00 C ATOM 338 CG GLU A 25 -20.190 5.815 -1.487 1.00 0.00 C ATOM 339 CD GLU A 25 -21.476 5.479 -0.758 1.00 0.00 C ATOM 340 OE1 GLU A 25 -21.846 6.228 0.170 1.00 0.00 O ATOM 341 OE2 GLU A 25 -22.114 4.466 -1.116 1.00 0.00 O ATOM 0 H GLU A 25 -17.816 4.591 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.949 7.261 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.003 5.796 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -19.526 7.393 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -20.409 6.501 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.781 4.908 -1.932 1.00 0.00 H new ATOM 348 N ASN A 26 -16.442 6.786 0.753 1.00 0.00 N ATOM 349 CA ASN A 26 -15.552 7.410 1.725 1.00 0.00 C ATOM 350 C ASN A 26 -14.181 7.681 1.112 1.00 0.00 C ATOM 351 O ASN A 26 -13.411 8.493 1.623 1.00 0.00 O ATOM 352 CB ASN A 26 -15.404 6.517 2.958 1.00 0.00 C ATOM 353 CG ASN A 26 -16.648 6.516 3.824 1.00 0.00 C ATOM 354 OD1 ASN A 26 -17.086 7.562 4.303 1.00 0.00 O ATOM 355 ND2 ASN A 26 -17.225 5.337 4.030 1.00 0.00 N ATOM 0 H ASN A 26 -16.698 5.823 0.973 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.991 8.362 2.024 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.185 5.498 2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -14.553 6.857 3.549 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.065 5.274 4.605 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.828 4.495 3.613 1.00 0.00 H new ATOM 362 N GLY A 27 -13.884 6.995 0.013 1.00 0.00 N ATOM 363 CA GLY A 27 -12.606 7.176 -0.652 1.00 0.00 C ATOM 364 C GLY A 27 -11.485 6.420 0.032 1.00 0.00 C ATOM 365 O GLY A 27 -10.387 6.949 0.206 1.00 0.00 O ATOM 0 H GLY A 27 -14.505 6.317 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.687 6.842 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.361 8.238 -0.679 1.00 0.00 H new ATOM 369 N ARG A 28 -11.761 5.180 0.421 1.00 0.00 N ATOM 370 CA ARG A 28 -10.767 4.351 1.093 1.00 0.00 C ATOM 371 C ARG A 28 -10.839 2.909 0.600 1.00 0.00 C ATOM 372 O ARG A 28 -11.918 2.398 0.299 1.00 0.00 O ATOM 373 CB ARG A 28 -10.974 4.395 2.608 1.00 0.00 C ATOM 374 CG ARG A 28 -10.329 5.598 3.276 1.00 0.00 C ATOM 375 CD ARG A 28 -10.640 5.641 4.764 1.00 0.00 C ATOM 376 NE ARG A 28 -9.912 4.614 5.505 1.00 0.00 N ATOM 377 CZ ARG A 28 -8.657 4.756 5.917 1.00 0.00 C ATOM 378 NH1 ARG A 28 -7.994 5.876 5.661 1.00 0.00 N ATOM 379 NH2 ARG A 28 -8.062 3.777 6.586 1.00 0.00 N ATOM 0 H ARG A 28 -12.664 4.727 0.283 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.780 4.749 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.043 4.402 2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.568 3.484 3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.249 5.562 3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.684 6.513 2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.384 6.624 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.711 5.506 4.915 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.393 3.740 5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.448 6.631 5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.031 5.982 5.979 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.568 2.914 6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.098 3.887 6.902 1.00 0.00 H new ATOM 393 N PHE A 29 -9.684 2.257 0.520 1.00 0.00 N ATOM 394 CA PHE A 29 -9.616 0.874 0.062 1.00 0.00 C ATOM 395 C PHE A 29 -9.594 -0.089 1.245 1.00 0.00 C ATOM 396 O PHE A 29 -9.682 0.325 2.400 1.00 0.00 O ATOM 397 CB PHE A 29 -8.373 0.662 -0.805 1.00 0.00 C ATOM 398 CG PHE A 29 -8.355 1.513 -2.043 1.00 0.00 C ATOM 399 CD1 PHE A 29 -8.999 1.096 -3.196 1.00 0.00 C ATOM 400 CD2 PHE A 29 -7.692 2.730 -2.054 1.00 0.00 C ATOM 401 CE1 PHE A 29 -8.984 1.876 -4.337 1.00 0.00 C ATOM 402 CE2 PHE A 29 -7.674 3.515 -3.191 1.00 0.00 C ATOM 403 CZ PHE A 29 -8.320 3.087 -4.335 1.00 0.00 C ATOM 0 H PHE A 29 -8.782 2.664 0.766 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.505 0.670 -0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.485 0.878 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.316 -0.387 -1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.519 0.150 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.183 3.069 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.491 1.539 -5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.155 4.462 -3.186 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.306 3.698 -5.225 1.00 0.00 H new ATOM 413 N GLY A 30 -9.476 -1.380 0.947 1.00 0.00 N ATOM 414 CA GLY A 30 -9.446 -2.383 1.995 1.00 0.00 C ATOM 415 C GLY A 30 -8.263 -3.323 1.865 1.00 0.00 C ATOM 416 O GLY A 30 -8.422 -4.483 1.484 1.00 0.00 O ATOM 0 H GLY A 30 -9.401 -1.748 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.408 -1.889 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.370 -2.961 1.967 1.00 0.00 H new ATOM 420 N PHE A 31 -7.074 -2.821 2.180 1.00 0.00 N ATOM 421 CA PHE A 31 -5.859 -3.622 2.093 1.00 0.00 C ATOM 422 C PHE A 31 -4.709 -2.949 2.836 1.00 0.00 C ATOM 423 O PHE A 31 -4.440 -1.764 2.643 1.00 0.00 O ATOM 424 CB PHE A 31 -5.473 -3.846 0.629 1.00 0.00 C ATOM 425 CG PHE A 31 -4.954 -2.611 -0.049 1.00 0.00 C ATOM 426 CD1 PHE A 31 -3.634 -2.220 0.109 1.00 0.00 C ATOM 427 CD2 PHE A 31 -5.786 -1.840 -0.845 1.00 0.00 C ATOM 428 CE1 PHE A 31 -3.153 -1.084 -0.515 1.00 0.00 C ATOM 429 CE2 PHE A 31 -5.311 -0.703 -1.471 1.00 0.00 C ATOM 430 CZ PHE A 31 -3.993 -0.324 -1.305 1.00 0.00 C ATOM 0 H PHE A 31 -6.926 -1.863 2.498 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.056 -4.586 2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.713 -4.626 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.343 -4.212 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.973 -2.810 0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.818 -2.131 -0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.122 -0.791 -0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.970 -0.111 -2.089 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.620 0.565 -1.792 1.00 0.00 H new ATOM 440 N ASN A 32 -4.034 -3.714 3.688 1.00 0.00 N ATOM 441 CA ASN A 32 -2.913 -3.192 4.462 1.00 0.00 C ATOM 442 C ASN A 32 -1.589 -3.742 3.940 1.00 0.00 C ATOM 443 O ASN A 32 -1.551 -4.784 3.287 1.00 0.00 O ATOM 444 CB ASN A 32 -3.079 -3.548 5.941 1.00 0.00 C ATOM 445 CG ASN A 32 -3.902 -2.521 6.694 1.00 0.00 C ATOM 446 OD1 ASN A 32 -4.220 -1.455 6.165 1.00 0.00 O ATOM 447 ND2 ASN A 32 -4.251 -2.837 7.936 1.00 0.00 N ATOM 0 H ASN A 32 -4.244 -4.697 3.860 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.903 -2.107 4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.556 -4.524 6.026 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.096 -3.632 6.404 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.805 -2.185 8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.965 -3.732 8.334 1.00 0.00 H new ATOM 454 N VAL A 33 -0.504 -3.033 4.235 1.00 0.00 N ATOM 455 CA VAL A 33 0.823 -3.450 3.797 1.00 0.00 C ATOM 456 C VAL A 33 1.828 -3.377 4.942 1.00 0.00 C ATOM 457 O VAL A 33 1.555 -2.781 5.984 1.00 0.00 O ATOM 458 CB VAL A 33 1.328 -2.582 2.630 1.00 0.00 C ATOM 459 CG1 VAL A 33 0.376 -2.671 1.447 1.00 0.00 C ATOM 460 CG2 VAL A 33 1.502 -1.138 3.077 1.00 0.00 C ATOM 0 H VAL A 33 -0.518 -2.168 4.775 1.00 0.00 H new ATOM 0 HA VAL A 33 0.734 -4.483 3.460 1.00 0.00 H new ATOM 0 HB VAL A 33 2.300 -2.960 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.749 -2.051 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.307 -3.706 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.611 -2.320 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.860 -0.539 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.545 -0.746 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.226 -1.094 3.890 1.00 0.00 H new ATOM 470 N LYS A 34 2.991 -3.986 4.741 1.00 0.00 N ATOM 471 CA LYS A 34 4.039 -3.989 5.755 1.00 0.00 C ATOM 472 C LYS A 34 5.418 -4.088 5.111 1.00 0.00 C ATOM 473 O LYS A 34 5.639 -4.902 4.215 1.00 0.00 O ATOM 474 CB LYS A 34 3.833 -5.153 6.727 1.00 0.00 C ATOM 475 CG LYS A 34 3.934 -6.519 6.070 1.00 0.00 C ATOM 476 CD LYS A 34 3.667 -7.637 7.064 1.00 0.00 C ATOM 477 CE LYS A 34 3.687 -9.000 6.389 1.00 0.00 C ATOM 478 NZ LYS A 34 3.488 -10.106 7.366 1.00 0.00 N ATOM 0 H LYS A 34 3.232 -4.484 3.884 1.00 0.00 H new ATOM 0 HA LYS A 34 3.981 -3.050 6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.575 -5.086 7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.853 -5.056 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.220 -6.583 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.927 -6.644 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.418 -7.610 7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.699 -7.479 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.906 -9.041 5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.638 -9.137 5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.508 -11.018 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.248 -10.083 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.569 -9.990 7.839 1.00 0.00 H new ATOM 492 N GLY A 35 6.345 -3.255 5.576 1.00 0.00 N ATOM 493 CA GLY A 35 7.691 -3.267 5.035 1.00 0.00 C ATOM 494 C GLY A 35 7.988 -2.043 4.192 1.00 0.00 C ATOM 495 O GLY A 35 7.074 -1.397 3.680 1.00 0.00 O ATOM 0 H GLY A 35 6.187 -2.573 6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.408 -3.323 5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.828 -4.163 4.430 1.00 0.00 H new ATOM 499 N GLY A 36 9.270 -1.721 4.049 1.00 0.00 N ATOM 500 CA GLY A 36 9.661 -0.565 3.262 1.00 0.00 C ATOM 501 C GLY A 36 11.162 -0.478 3.068 1.00 0.00 C ATOM 502 O GLY A 36 11.872 -1.474 3.204 1.00 0.00 O ATOM 0 H GLY A 36 10.045 -2.239 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.174 -0.610 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.308 0.342 3.753 1.00 0.00 H new ATOM 506 N TYR A 37 11.646 0.717 2.747 1.00 0.00 N ATOM 507 CA TYR A 37 13.072 0.930 2.529 1.00 0.00 C ATOM 508 C TYR A 37 13.814 1.049 3.856 1.00 0.00 C ATOM 509 O TYR A 37 14.987 0.689 3.959 1.00 0.00 O ATOM 510 CB TYR A 37 13.298 2.189 1.690 1.00 0.00 C ATOM 511 CG TYR A 37 14.733 2.666 1.689 1.00 0.00 C ATOM 512 CD1 TYR A 37 15.646 2.181 0.761 1.00 0.00 C ATOM 513 CD2 TYR A 37 15.175 3.601 2.616 1.00 0.00 C ATOM 514 CE1 TYR A 37 16.958 2.614 0.757 1.00 0.00 C ATOM 515 CE2 TYR A 37 16.485 4.041 2.619 1.00 0.00 C ATOM 516 CZ TYR A 37 17.373 3.543 1.687 1.00 0.00 C ATOM 517 OH TYR A 37 18.679 3.978 1.686 1.00 0.00 O ATOM 0 H TYR A 37 11.072 1.552 2.632 1.00 0.00 H new ATOM 0 HA TYR A 37 13.465 0.067 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.989 1.992 0.664 1.00 0.00 H new ATOM 0 HB3 TYR A 37 12.659 2.987 2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.325 1.453 0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 37 14.483 3.991 3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.655 2.226 0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 37 16.812 4.770 3.346 1.00 0.00 H new ATOM 0 HH TYR A 37 18.806 4.633 2.404 1.00 0.00 H new ATOM 527 N ASP A 38 13.121 1.556 4.870 1.00 0.00 N ATOM 528 CA ASP A 38 13.712 1.722 6.193 1.00 0.00 C ATOM 529 C ASP A 38 13.921 0.370 6.868 1.00 0.00 C ATOM 530 O ASP A 38 14.921 0.155 7.552 1.00 0.00 O ATOM 531 CB ASP A 38 12.823 2.610 7.065 1.00 0.00 C ATOM 532 CG ASP A 38 13.611 3.360 8.120 1.00 0.00 C ATOM 533 OD1 ASP A 38 14.072 4.484 7.830 1.00 0.00 O ATOM 534 OD2 ASP A 38 13.766 2.823 9.237 1.00 0.00 O ATOM 0 H ASP A 38 12.150 1.859 4.801 1.00 0.00 H new ATOM 0 HA ASP A 38 14.683 2.202 6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.297 3.325 6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.065 1.995 7.550 1.00 0.00 H new ATOM 539 N GLN A 39 12.969 -0.537 6.672 1.00 0.00 N ATOM 540 CA GLN A 39 13.048 -1.867 7.264 1.00 0.00 C ATOM 541 C GLN A 39 13.795 -2.828 6.346 1.00 0.00 C ATOM 542 O GLN A 39 13.736 -4.045 6.522 1.00 0.00 O ATOM 543 CB GLN A 39 11.645 -2.405 7.552 1.00 0.00 C ATOM 544 CG GLN A 39 10.867 -1.569 8.555 1.00 0.00 C ATOM 545 CD GLN A 39 10.203 -0.363 7.921 1.00 0.00 C ATOM 546 OE1 GLN A 39 9.513 -0.481 6.908 1.00 0.00 O ATOM 547 NE2 GLN A 39 10.407 0.807 8.515 1.00 0.00 N ATOM 0 H GLN A 39 12.135 -0.375 6.108 1.00 0.00 H new ATOM 0 HA GLN A 39 13.598 -1.787 8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.084 -2.452 6.618 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.726 -3.425 7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.107 -2.191 9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.541 -1.235 9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.986 0.859 9.353 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.985 1.653 8.133 1.00 0.00 H new ATOM 556 N LYS A 40 14.499 -2.274 5.365 1.00 0.00 N ATOM 557 CA LYS A 40 15.260 -3.081 4.418 1.00 0.00 C ATOM 558 C LYS A 40 14.459 -4.302 3.978 1.00 0.00 C ATOM 559 O LYS A 40 15.028 -5.345 3.654 1.00 0.00 O ATOM 560 CB LYS A 40 16.584 -3.525 5.044 1.00 0.00 C ATOM 561 CG LYS A 40 17.620 -2.417 5.125 1.00 0.00 C ATOM 562 CD LYS A 40 19.031 -2.976 5.192 1.00 0.00 C ATOM 563 CE LYS A 40 20.032 -1.915 5.624 1.00 0.00 C ATOM 564 NZ LYS A 40 21.295 -2.517 6.131 1.00 0.00 N ATOM 0 H LYS A 40 14.559 -1.268 5.205 1.00 0.00 H new ATOM 0 HA LYS A 40 15.467 -2.468 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.392 -3.906 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.992 -4.351 4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.527 -1.766 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.429 -1.803 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.060 -3.811 5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 40 19.314 -3.369 4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 40 20.254 -1.261 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.589 -1.293 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.950 -1.761 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 21.087 -3.121 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 21.732 -3.090 5.381 1.00 0.00 H new ATOM 578 N MET A 41 13.137 -4.165 3.966 1.00 0.00 N ATOM 579 CA MET A 41 12.259 -5.257 3.562 1.00 0.00 C ATOM 580 C MET A 41 11.240 -4.782 2.532 1.00 0.00 C ATOM 581 O MET A 41 10.863 -3.610 2.491 1.00 0.00 O ATOM 582 CB MET A 41 11.539 -5.837 4.780 1.00 0.00 C ATOM 583 CG MET A 41 10.294 -5.060 5.178 1.00 0.00 C ATOM 584 SD MET A 41 9.304 -5.920 6.415 1.00 0.00 S ATOM 585 CE MET A 41 8.400 -7.073 5.384 1.00 0.00 C ATOM 0 H MET A 41 12.650 -3.309 4.231 1.00 0.00 H new ATOM 0 HA MET A 41 12.872 -6.035 3.107 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.261 -6.870 4.570 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.229 -5.858 5.624 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.588 -4.085 5.567 1.00 0.00 H new ATOM 0 HG3 MET A 41 9.685 -4.879 4.292 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.755 -7.691 6.009 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.791 -6.521 4.668 1.00 0.00 H new ATOM 0 HE3 MET A 41 9.103 -7.710 4.847 1.00 0.00 H new ATOM 595 N PRO A 42 10.782 -5.711 1.680 1.00 0.00 N ATOM 596 CA PRO A 42 9.799 -5.410 0.634 1.00 0.00 C ATOM 597 C PRO A 42 8.417 -5.112 1.206 1.00 0.00 C ATOM 598 O PRO A 42 8.094 -5.522 2.320 1.00 0.00 O ATOM 599 CB PRO A 42 9.767 -6.692 -0.202 1.00 0.00 C ATOM 600 CG PRO A 42 10.199 -7.766 0.735 1.00 0.00 C ATOM 601 CD PRO A 42 11.187 -7.126 1.671 1.00 0.00 C ATOM 0 HA PRO A 42 10.069 -4.520 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.768 -6.885 -0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.436 -6.622 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.348 -8.171 1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.654 -8.596 0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.138 -7.564 2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 42 12.211 -7.248 1.319 1.00 0.00 H new ATOM 609 N VAL A 43 7.605 -4.395 0.435 1.00 0.00 N ATOM 610 CA VAL A 43 6.257 -4.043 0.864 1.00 0.00 C ATOM 611 C VAL A 43 5.244 -5.086 0.405 1.00 0.00 C ATOM 612 O VAL A 43 4.815 -5.083 -0.749 1.00 0.00 O ATOM 613 CB VAL A 43 5.837 -2.664 0.323 1.00 0.00 C ATOM 614 CG1 VAL A 43 4.431 -2.313 0.785 1.00 0.00 C ATOM 615 CG2 VAL A 43 6.831 -1.597 0.757 1.00 0.00 C ATOM 0 H VAL A 43 7.858 -4.047 -0.490 1.00 0.00 H new ATOM 0 HA VAL A 43 6.271 -4.009 1.953 1.00 0.00 H new ATOM 0 HB VAL A 43 5.835 -2.706 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.153 -1.335 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.730 -3.064 0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.401 -2.288 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.519 -0.629 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.867 -1.554 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.820 -1.843 0.371 1.00 0.00 H new ATOM 625 N ILE A 44 4.867 -5.977 1.316 1.00 0.00 N ATOM 626 CA ILE A 44 3.903 -7.025 1.005 1.00 0.00 C ATOM 627 C ILE A 44 2.613 -6.839 1.797 1.00 0.00 C ATOM 628 O ILE A 44 2.639 -6.433 2.959 1.00 0.00 O ATOM 629 CB ILE A 44 4.477 -8.423 1.301 1.00 0.00 C ATOM 630 CG1 ILE A 44 5.613 -8.749 0.329 1.00 0.00 C ATOM 631 CG2 ILE A 44 3.381 -9.475 1.214 1.00 0.00 C ATOM 632 CD1 ILE A 44 6.971 -8.292 0.813 1.00 0.00 C ATOM 0 H ILE A 44 5.214 -5.994 2.275 1.00 0.00 H new ATOM 0 HA ILE A 44 3.686 -6.948 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 44 4.879 -8.427 2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.639 -9.826 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.403 -8.282 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.802 -10.458 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.602 -9.250 1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.953 -9.472 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.728 -8.556 0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.962 -7.211 0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.203 -8.779 1.760 1.00 0.00 H new ATOM 644 N VAL A 45 1.486 -7.141 1.161 1.00 0.00 N ATOM 645 CA VAL A 45 0.185 -7.010 1.806 1.00 0.00 C ATOM 646 C VAL A 45 0.151 -7.763 3.131 1.00 0.00 C ATOM 647 O VAL A 45 0.495 -8.943 3.195 1.00 0.00 O ATOM 648 CB VAL A 45 -0.946 -7.533 0.901 1.00 0.00 C ATOM 649 CG1 VAL A 45 -2.268 -7.548 1.653 1.00 0.00 C ATOM 650 CG2 VAL A 45 -1.051 -6.691 -0.361 1.00 0.00 C ATOM 0 H VAL A 45 1.448 -7.478 0.199 1.00 0.00 H new ATOM 0 HA VAL A 45 0.029 -5.947 1.991 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.710 -8.556 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.055 -7.920 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.184 -8.198 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.514 -6.537 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.855 -7.075 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.263 -5.656 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.110 -6.737 -0.909 1.00 0.00 H new ATOM 660 N SER A 46 -0.267 -7.073 4.188 1.00 0.00 N ATOM 661 CA SER A 46 -0.343 -7.676 5.513 1.00 0.00 C ATOM 662 C SER A 46 -1.689 -8.364 5.720 1.00 0.00 C ATOM 663 O SER A 46 -1.756 -9.582 5.890 1.00 0.00 O ATOM 664 CB SER A 46 -0.130 -6.613 6.593 1.00 0.00 C ATOM 665 OG SER A 46 -1.212 -5.698 6.628 1.00 0.00 O ATOM 0 H SER A 46 -0.558 -6.096 4.152 1.00 0.00 H new ATOM 0 HA SER A 46 0.445 -8.425 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.025 -7.094 7.565 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.799 -6.076 6.401 1.00 0.00 H new ATOM 0 HG SER A 46 -1.217 -5.230 7.489 1.00 0.00 H new ATOM 671 N ARG A 47 -2.759 -7.576 5.705 1.00 0.00 N ATOM 672 CA ARG A 47 -4.103 -8.108 5.892 1.00 0.00 C ATOM 673 C ARG A 47 -5.089 -7.445 4.934 1.00 0.00 C ATOM 674 O ARG A 47 -4.920 -6.285 4.557 1.00 0.00 O ATOM 675 CB ARG A 47 -4.561 -7.899 7.337 1.00 0.00 C ATOM 676 CG ARG A 47 -5.726 -8.788 7.741 1.00 0.00 C ATOM 677 CD ARG A 47 -5.291 -10.236 7.904 1.00 0.00 C ATOM 678 NE ARG A 47 -4.833 -10.520 9.261 1.00 0.00 N ATOM 679 CZ ARG A 47 -4.135 -11.602 9.590 1.00 0.00 C ATOM 680 NH1 ARG A 47 -3.817 -12.496 8.664 1.00 0.00 N ATOM 681 NH2 ARG A 47 -3.754 -11.791 10.847 1.00 0.00 N ATOM 0 H ARG A 47 -2.721 -6.566 5.565 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.077 -9.176 5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.722 -8.088 8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.847 -6.856 7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.153 -8.428 8.677 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.511 -8.725 6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.124 -10.895 7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.490 -10.456 7.198 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.061 -9.851 9.997 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.108 -12.354 7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.281 -13.326 8.919 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.997 -11.105 11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.218 -12.622 11.098 1.00 0.00 H new ATOM 695 N VAL A 48 -6.118 -8.190 4.543 1.00 0.00 N ATOM 696 CA VAL A 48 -7.131 -7.675 3.629 1.00 0.00 C ATOM 697 C VAL A 48 -8.533 -8.046 4.098 1.00 0.00 C ATOM 698 O VAL A 48 -8.869 -9.224 4.214 1.00 0.00 O ATOM 699 CB VAL A 48 -6.921 -8.209 2.200 1.00 0.00 C ATOM 700 CG1 VAL A 48 -8.031 -7.723 1.280 1.00 0.00 C ATOM 701 CG2 VAL A 48 -5.557 -7.792 1.670 1.00 0.00 C ATOM 0 H VAL A 48 -6.272 -9.152 4.845 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.029 -6.590 3.622 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.956 -9.298 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.866 -8.110 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.993 -8.077 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.031 -6.633 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.426 -8.178 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.490 -6.704 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.777 -8.195 2.316 1.00 0.00 H new ATOM 711 N ALA A 49 -9.349 -7.032 4.366 1.00 0.00 N ATOM 712 CA ALA A 49 -10.717 -7.251 4.820 1.00 0.00 C ATOM 713 C ALA A 49 -11.656 -7.482 3.642 1.00 0.00 C ATOM 714 O ALA A 49 -11.485 -6.918 2.561 1.00 0.00 O ATOM 715 CB ALA A 49 -11.192 -6.069 5.653 1.00 0.00 C ATOM 0 H ALA A 49 -9.086 -6.050 4.277 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.729 -8.147 5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.215 -6.246 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.543 -5.952 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.158 -5.162 5.050 1.00 0.00 H new ATOM 721 N PRO A 50 -12.672 -8.332 3.851 1.00 0.00 N ATOM 722 CA PRO A 50 -13.658 -8.658 2.817 1.00 0.00 C ATOM 723 C PRO A 50 -14.578 -7.482 2.502 1.00 0.00 C ATOM 724 O PRO A 50 -14.476 -6.421 3.116 1.00 0.00 O ATOM 725 CB PRO A 50 -14.455 -9.809 3.436 1.00 0.00 C ATOM 726 CG PRO A 50 -14.307 -9.624 4.907 1.00 0.00 C ATOM 727 CD PRO A 50 -12.937 -9.041 5.115 1.00 0.00 C ATOM 0 HA PRO A 50 -13.185 -8.911 1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.502 -9.772 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.066 -10.776 3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.078 -8.958 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.411 -10.573 5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.914 -8.363 5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.195 -9.817 5.304 1.00 0.00 H new ATOM 735 N GLY A 51 -15.476 -7.680 1.542 1.00 0.00 N ATOM 736 CA GLY A 51 -16.400 -6.627 1.163 1.00 0.00 C ATOM 737 C GLY A 51 -15.695 -5.325 0.839 1.00 0.00 C ATOM 738 O GLY A 51 -16.207 -4.243 1.130 1.00 0.00 O ATOM 0 H GLY A 51 -15.580 -8.550 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.977 -6.949 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.109 -6.461 1.974 1.00 0.00 H new ATOM 742 N THR A 52 -14.515 -5.427 0.236 1.00 0.00 N ATOM 743 CA THR A 52 -13.737 -4.249 -0.125 1.00 0.00 C ATOM 744 C THR A 52 -13.413 -4.239 -1.615 1.00 0.00 C ATOM 745 O THR A 52 -13.349 -5.281 -2.267 1.00 0.00 O ATOM 746 CB THR A 52 -12.423 -4.176 0.675 1.00 0.00 C ATOM 747 OG1 THR A 52 -11.740 -5.434 0.611 1.00 0.00 O ATOM 748 CG2 THR A 52 -12.693 -3.814 2.128 1.00 0.00 C ATOM 0 H THR A 52 -14.077 -6.314 -0.013 1.00 0.00 H new ATOM 0 HA THR A 52 -14.349 -3.380 0.117 1.00 0.00 H new ATOM 0 HB THR A 52 -11.798 -3.400 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.430 -5.684 1.507 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.750 -3.768 2.673 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.187 -2.843 2.175 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.336 -4.570 2.578 1.00 0.00 H new ATOM 756 N PRO A 53 -13.201 -3.035 -2.167 1.00 0.00 N ATOM 757 CA PRO A 53 -12.878 -2.861 -3.586 1.00 0.00 C ATOM 758 C PRO A 53 -11.484 -3.373 -3.931 1.00 0.00 C ATOM 759 O PRO A 53 -11.036 -3.263 -5.072 1.00 0.00 O ATOM 760 CB PRO A 53 -12.956 -1.346 -3.785 1.00 0.00 C ATOM 761 CG PRO A 53 -12.686 -0.773 -2.436 1.00 0.00 C ATOM 762 CD PRO A 53 -13.260 -1.751 -1.449 1.00 0.00 C ATOM 0 HA PRO A 53 -13.554 -3.424 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.222 -1.004 -4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.936 -1.045 -4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.616 -0.639 -2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.150 0.208 -2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.679 -1.779 -0.527 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.282 -1.491 -1.174 1.00 0.00 H new ATOM 770 N ALA A 54 -10.802 -3.934 -2.937 1.00 0.00 N ATOM 771 CA ALA A 54 -9.460 -4.465 -3.136 1.00 0.00 C ATOM 772 C ALA A 54 -9.451 -5.987 -3.036 1.00 0.00 C ATOM 773 O ALA A 54 -8.476 -6.638 -3.413 1.00 0.00 O ATOM 774 CB ALA A 54 -8.498 -3.862 -2.123 1.00 0.00 C ATOM 0 H ALA A 54 -11.158 -4.032 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.133 -4.191 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.499 -4.268 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.474 -2.779 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.831 -4.107 -1.114 1.00 0.00 H new ATOM 780 N ASP A 55 -10.542 -6.548 -2.526 1.00 0.00 N ATOM 781 CA ASP A 55 -10.660 -7.994 -2.377 1.00 0.00 C ATOM 782 C ASP A 55 -11.634 -8.568 -3.401 1.00 0.00 C ATOM 783 O ASP A 55 -11.751 -9.785 -3.548 1.00 0.00 O ATOM 784 CB ASP A 55 -11.121 -8.346 -0.962 1.00 0.00 C ATOM 785 CG ASP A 55 -10.640 -9.714 -0.520 1.00 0.00 C ATOM 786 OD1 ASP A 55 -9.410 -9.904 -0.412 1.00 0.00 O ATOM 787 OD2 ASP A 55 -11.493 -10.596 -0.284 1.00 0.00 O ATOM 0 H ASP A 55 -11.357 -6.023 -2.209 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.678 -8.434 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.754 -7.592 -0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.210 -8.316 -0.920 1.00 0.00 H new ATOM 792 N LEU A 56 -12.331 -7.684 -4.107 1.00 0.00 N ATOM 793 CA LEU A 56 -13.297 -8.103 -5.117 1.00 0.00 C ATOM 794 C LEU A 56 -12.780 -7.805 -6.521 1.00 0.00 C ATOM 795 O LEU A 56 -13.119 -8.502 -7.478 1.00 0.00 O ATOM 796 CB LEU A 56 -14.636 -7.398 -4.894 1.00 0.00 C ATOM 797 CG LEU A 56 -15.202 -7.466 -3.475 1.00 0.00 C ATOM 798 CD1 LEU A 56 -16.126 -6.287 -3.212 1.00 0.00 C ATOM 799 CD2 LEU A 56 -15.936 -8.780 -3.256 1.00 0.00 C ATOM 0 H LEU A 56 -12.245 -6.673 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.440 -9.179 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.522 -6.349 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.369 -7.828 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.372 -7.415 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.519 -6.352 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.570 -5.356 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -16.952 -6.306 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.332 -8.811 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.757 -8.861 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.246 -9.611 -3.402 1.00 0.00 H new ATOM 811 N CYS A 57 -11.958 -6.768 -6.635 1.00 0.00 N ATOM 812 CA CYS A 57 -11.393 -6.379 -7.922 1.00 0.00 C ATOM 813 C CYS A 57 -10.688 -7.557 -8.585 1.00 0.00 C ATOM 814 O CYS A 57 -10.253 -8.492 -7.913 1.00 0.00 O ATOM 815 CB CYS A 57 -10.413 -5.218 -7.742 1.00 0.00 C ATOM 816 SG CYS A 57 -9.216 -5.463 -6.410 1.00 0.00 S ATOM 0 H CYS A 57 -11.668 -6.182 -5.852 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.211 -6.058 -8.568 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.874 -5.063 -8.677 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.978 -4.307 -7.545 1.00 0.00 H new ATOM 0 HG CYS A 57 -8.430 -4.430 -6.337 1.00 0.00 H new ATOM 822 N VAL A 58 -10.579 -7.506 -9.909 1.00 0.00 N ATOM 823 CA VAL A 58 -9.927 -8.570 -10.664 1.00 0.00 C ATOM 824 C VAL A 58 -8.698 -8.048 -11.400 1.00 0.00 C ATOM 825 O VAL A 58 -8.767 -7.095 -12.176 1.00 0.00 O ATOM 826 CB VAL A 58 -10.891 -9.206 -11.684 1.00 0.00 C ATOM 827 CG1 VAL A 58 -10.236 -10.398 -12.365 1.00 0.00 C ATOM 828 CG2 VAL A 58 -12.189 -9.616 -11.005 1.00 0.00 C ATOM 0 H VAL A 58 -10.934 -6.739 -10.481 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.620 -9.328 -9.943 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.126 -8.465 -12.448 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.931 -10.835 -13.082 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.336 -10.070 -12.885 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.971 -11.144 -11.616 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.858 -10.063 -11.740 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.976 -10.341 -10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.664 -8.738 -10.568 1.00 0.00 H new ATOM 838 N PRO A 59 -7.545 -8.686 -11.152 1.00 0.00 N ATOM 839 CA PRO A 59 -7.451 -9.822 -10.229 1.00 0.00 C ATOM 840 C PRO A 59 -7.647 -9.405 -8.775 1.00 0.00 C ATOM 841 O PRO A 59 -7.665 -8.216 -8.458 1.00 0.00 O ATOM 842 CB PRO A 59 -6.028 -10.341 -10.450 1.00 0.00 C ATOM 843 CG PRO A 59 -5.267 -9.162 -10.948 1.00 0.00 C ATOM 844 CD PRO A 59 -6.244 -8.349 -11.752 1.00 0.00 C ATOM 0 HA PRO A 59 -8.225 -10.566 -10.418 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.599 -10.727 -9.525 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.012 -11.156 -11.173 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.863 -8.580 -10.120 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.421 -9.474 -11.561 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.033 -7.282 -11.681 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.210 -8.611 -12.810 1.00 0.00 H new ATOM 852 N ARG A 60 -7.791 -10.391 -7.896 1.00 0.00 N ATOM 853 CA ARG A 60 -7.986 -10.126 -6.476 1.00 0.00 C ATOM 854 C ARG A 60 -6.649 -9.902 -5.777 1.00 0.00 C ATOM 855 O ARG A 60 -5.669 -10.597 -6.050 1.00 0.00 O ATOM 856 CB ARG A 60 -8.730 -11.288 -5.816 1.00 0.00 C ATOM 857 CG ARG A 60 -8.476 -11.405 -4.322 1.00 0.00 C ATOM 858 CD ARG A 60 -9.462 -12.355 -3.661 1.00 0.00 C ATOM 859 NE ARG A 60 -9.059 -12.703 -2.301 1.00 0.00 N ATOM 860 CZ ARG A 60 -9.694 -13.600 -1.554 1.00 0.00 C ATOM 861 NH1 ARG A 60 -10.754 -14.235 -2.032 1.00 0.00 N ATOM 862 NH2 ARG A 60 -9.266 -13.862 -0.325 1.00 0.00 N ATOM 0 H ARG A 60 -7.776 -11.381 -8.142 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.584 -9.220 -6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.800 -11.166 -5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.435 -12.219 -6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.459 -11.758 -4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.553 -10.420 -3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.450 -11.895 -3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.546 -13.263 -4.258 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.246 -12.232 -1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.085 -14.036 -2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.239 -14.923 -1.456 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.450 -13.375 0.046 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.753 -14.550 0.249 1.00 0.00 H new ATOM 876 N LEU A 61 -6.615 -8.928 -4.874 1.00 0.00 N ATOM 877 CA LEU A 61 -5.398 -8.611 -4.135 1.00 0.00 C ATOM 878 C LEU A 61 -5.273 -9.486 -2.891 1.00 0.00 C ATOM 879 O LEU A 61 -5.657 -9.082 -1.795 1.00 0.00 O ATOM 880 CB LEU A 61 -5.389 -7.135 -3.736 1.00 0.00 C ATOM 881 CG LEU A 61 -4.066 -6.593 -3.195 1.00 0.00 C ATOM 882 CD1 LEU A 61 -3.005 -6.591 -4.285 1.00 0.00 C ATOM 883 CD2 LEU A 61 -4.254 -5.193 -2.628 1.00 0.00 C ATOM 0 H LEU A 61 -7.417 -8.344 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.546 -8.810 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.672 -6.543 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.159 -6.979 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.730 -7.246 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.070 -6.202 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.850 -7.609 -4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.334 -5.961 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.302 -4.824 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.614 -4.528 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.981 -5.224 -1.817 1.00 0.00 H new ATOM 895 N ASN A 62 -4.731 -10.686 -3.071 1.00 0.00 N ATOM 896 CA ASN A 62 -4.553 -11.618 -1.963 1.00 0.00 C ATOM 897 C ASN A 62 -3.239 -11.352 -1.234 1.00 0.00 C ATOM 898 O ASN A 62 -2.269 -10.888 -1.833 1.00 0.00 O ATOM 899 CB ASN A 62 -4.584 -13.060 -2.472 1.00 0.00 C ATOM 900 CG ASN A 62 -3.559 -13.312 -3.561 1.00 0.00 C ATOM 901 OD1 ASN A 62 -3.500 -12.585 -4.553 1.00 0.00 O ATOM 902 ND2 ASN A 62 -2.745 -14.345 -3.379 1.00 0.00 N ATOM 0 H ASN A 62 -4.408 -11.036 -3.973 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.374 -11.470 -1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.400 -13.740 -1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.579 -13.286 -2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.034 -14.563 -4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.830 -14.920 -2.541 1.00 0.00 H new ATOM 909 N GLU A 63 -3.216 -11.651 0.061 1.00 0.00 N ATOM 910 CA GLU A 63 -2.021 -11.444 0.871 1.00 0.00 C ATOM 911 C GLU A 63 -0.796 -12.063 0.202 1.00 0.00 C ATOM 912 O GLU A 63 -0.861 -13.167 -0.336 1.00 0.00 O ATOM 913 CB GLU A 63 -2.212 -12.045 2.265 1.00 0.00 C ATOM 914 CG GLU A 63 -2.993 -11.150 3.212 1.00 0.00 C ATOM 915 CD GLU A 63 -4.490 -11.383 3.132 1.00 0.00 C ATOM 916 OE1 GLU A 63 -4.967 -11.818 2.064 1.00 0.00 O ATOM 917 OE2 GLU A 63 -5.183 -11.129 4.140 1.00 0.00 O ATOM 0 H GLU A 63 -4.010 -12.037 0.571 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.859 -10.370 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.729 -13.000 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.234 -12.253 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.656 -11.326 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.778 -10.107 2.980 1.00 0.00 H new ATOM 924 N GLY A 64 0.319 -11.340 0.239 1.00 0.00 N ATOM 925 CA GLY A 64 1.543 -11.833 -0.367 1.00 0.00 C ATOM 926 C GLY A 64 1.945 -11.034 -1.591 1.00 0.00 C ATOM 927 O GLY A 64 3.133 -10.848 -1.855 1.00 0.00 O ATOM 0 H GLY A 64 0.397 -10.422 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.348 -11.798 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.411 -12.878 -0.646 1.00 0.00 H new ATOM 931 N ASP A 65 0.955 -10.563 -2.340 1.00 0.00 N ATOM 932 CA ASP A 65 1.212 -9.780 -3.543 1.00 0.00 C ATOM 933 C ASP A 65 2.158 -8.621 -3.246 1.00 0.00 C ATOM 934 O ASP A 65 1.722 -7.529 -2.884 1.00 0.00 O ATOM 935 CB ASP A 65 -0.100 -9.248 -4.121 1.00 0.00 C ATOM 936 CG ASP A 65 -0.869 -10.309 -4.885 1.00 0.00 C ATOM 937 OD1 ASP A 65 -0.239 -11.044 -5.674 1.00 0.00 O ATOM 938 OD2 ASP A 65 -2.099 -10.403 -4.694 1.00 0.00 O ATOM 0 H ASP A 65 -0.033 -10.710 -2.136 1.00 0.00 H new ATOM 0 HA ASP A 65 1.685 -10.433 -4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.721 -8.865 -3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.112 -8.409 -4.784 1.00 0.00 H new ATOM 943 N GLN A 66 3.455 -8.868 -3.400 1.00 0.00 N ATOM 944 CA GLN A 66 4.463 -7.845 -3.146 1.00 0.00 C ATOM 945 C GLN A 66 4.322 -6.687 -4.128 1.00 0.00 C ATOM 946 O GLN A 66 4.376 -6.879 -5.342 1.00 0.00 O ATOM 947 CB GLN A 66 5.866 -8.446 -3.245 1.00 0.00 C ATOM 948 CG GLN A 66 6.968 -7.488 -2.822 1.00 0.00 C ATOM 949 CD GLN A 66 8.328 -7.892 -3.357 1.00 0.00 C ATOM 950 OE1 GLN A 66 9.044 -8.679 -2.737 1.00 0.00 O ATOM 951 NE2 GLN A 66 8.693 -7.352 -4.514 1.00 0.00 N ATOM 0 H GLN A 66 3.832 -9.767 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 66 4.310 -7.462 -2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.914 -9.340 -2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.045 -8.762 -4.273 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.727 -6.485 -3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.008 -7.444 -1.734 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.068 -6.704 -4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.598 -7.585 -4.923 1.00 0.00 H new ATOM 960 N VAL A 67 4.140 -5.483 -3.593 1.00 0.00 N ATOM 961 CA VAL A 67 3.992 -4.293 -4.423 1.00 0.00 C ATOM 962 C VAL A 67 5.349 -3.774 -4.886 1.00 0.00 C ATOM 963 O VAL A 67 6.249 -3.549 -4.077 1.00 0.00 O ATOM 964 CB VAL A 67 3.256 -3.171 -3.667 1.00 0.00 C ATOM 965 CG1 VAL A 67 2.885 -2.042 -4.617 1.00 0.00 C ATOM 966 CG2 VAL A 67 2.020 -3.720 -2.971 1.00 0.00 C ATOM 0 H VAL A 67 4.092 -5.306 -2.590 1.00 0.00 H new ATOM 0 HA VAL A 67 3.402 -4.584 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 67 3.925 -2.769 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.366 -1.258 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.790 -1.632 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.233 -2.426 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.512 -2.914 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.346 -4.149 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.315 -4.491 -2.260 1.00 0.00 H new ATOM 976 N VAL A 68 5.488 -3.584 -6.194 1.00 0.00 N ATOM 977 CA VAL A 68 6.735 -3.090 -6.766 1.00 0.00 C ATOM 978 C VAL A 68 6.631 -1.609 -7.113 1.00 0.00 C ATOM 979 O VAL A 68 7.604 -0.863 -6.998 1.00 0.00 O ATOM 980 CB VAL A 68 7.122 -3.876 -8.033 1.00 0.00 C ATOM 981 CG1 VAL A 68 8.469 -3.407 -8.561 1.00 0.00 C ATOM 982 CG2 VAL A 68 7.143 -5.370 -7.746 1.00 0.00 C ATOM 0 H VAL A 68 4.753 -3.765 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 68 7.508 -3.231 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 68 6.372 -3.687 -8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.726 -3.973 -9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.415 -2.346 -8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.233 -3.565 -7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.418 -5.911 -8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.871 -5.580 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.154 -5.691 -7.418 1.00 0.00 H new ATOM 992 N LEU A 69 5.444 -1.188 -7.537 1.00 0.00 N ATOM 993 CA LEU A 69 5.212 0.206 -7.900 1.00 0.00 C ATOM 994 C LEU A 69 3.754 0.592 -7.670 1.00 0.00 C ATOM 995 O LEU A 69 2.840 -0.130 -8.068 1.00 0.00 O ATOM 996 CB LEU A 69 5.589 0.441 -9.364 1.00 0.00 C ATOM 997 CG LEU A 69 7.074 0.316 -9.703 1.00 0.00 C ATOM 998 CD1 LEU A 69 7.272 0.227 -11.209 1.00 0.00 C ATOM 999 CD2 LEU A 69 7.854 1.490 -9.130 1.00 0.00 C ATOM 0 H LEU A 69 4.628 -1.792 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 69 5.839 0.832 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.036 -0.268 -9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.255 1.439 -9.649 1.00 0.00 H new ATOM 0 HG LEU A 69 7.453 -0.601 -9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.335 0.139 -11.432 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.747 -0.647 -11.594 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.876 1.126 -11.682 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.909 1.383 -9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.473 2.420 -9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.740 1.509 -8.046 1.00 0.00 H new ATOM 1011 N ILE A 70 3.546 1.737 -7.027 1.00 0.00 N ATOM 1012 CA ILE A 70 2.200 2.221 -6.747 1.00 0.00 C ATOM 1013 C ILE A 70 1.822 3.366 -7.681 1.00 0.00 C ATOM 1014 O ILE A 70 2.297 4.490 -7.525 1.00 0.00 O ATOM 1015 CB ILE A 70 2.065 2.696 -5.289 1.00 0.00 C ATOM 1016 CG1 ILE A 70 2.307 1.533 -4.325 1.00 0.00 C ATOM 1017 CG2 ILE A 70 0.691 3.307 -5.056 1.00 0.00 C ATOM 1018 CD1 ILE A 70 2.378 1.955 -2.874 1.00 0.00 C ATOM 0 H ILE A 70 4.292 2.346 -6.691 1.00 0.00 H new ATOM 0 HA ILE A 70 1.523 1.383 -6.911 1.00 0.00 H new ATOM 0 HB ILE A 70 2.818 3.461 -5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.508 0.801 -4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.238 1.035 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.611 3.638 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.554 4.160 -5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.078 2.562 -5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.551 1.079 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.195 2.664 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.438 2.426 -2.586 1.00 0.00 H new ATOM 1030 N ASN A 71 0.963 3.072 -8.651 1.00 0.00 N ATOM 1031 CA ASN A 71 0.519 4.077 -9.610 1.00 0.00 C ATOM 1032 C ASN A 71 1.696 4.610 -10.422 1.00 0.00 C ATOM 1033 O ASN A 71 1.781 5.805 -10.701 1.00 0.00 O ATOM 1034 CB ASN A 71 -0.178 5.230 -8.886 1.00 0.00 C ATOM 1035 CG ASN A 71 -1.661 4.978 -8.692 1.00 0.00 C ATOM 1036 OD1 ASN A 71 -2.295 4.290 -9.492 1.00 0.00 O ATOM 1037 ND2 ASN A 71 -2.222 5.536 -7.625 1.00 0.00 N ATOM 0 H ASN A 71 0.560 2.146 -8.794 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.188 3.605 -10.293 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.292 5.383 -7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.040 6.149 -9.455 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.217 5.402 -7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.658 6.099 -6.988 1.00 0.00 H new ATOM 1044 N GLY A 72 2.602 3.713 -10.801 1.00 0.00 N ATOM 1045 CA GLY A 72 3.761 4.112 -11.578 1.00 0.00 C ATOM 1046 C GLY A 72 4.692 5.024 -10.804 1.00 0.00 C ATOM 1047 O GLY A 72 5.131 6.053 -11.317 1.00 0.00 O ATOM 0 H GLY A 72 2.554 2.718 -10.584 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.307 3.223 -11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.430 4.620 -12.484 1.00 0.00 H new ATOM 1051 N ARG A 73 4.992 4.647 -9.565 1.00 0.00 N ATOM 1052 CA ARG A 73 5.874 5.441 -8.718 1.00 0.00 C ATOM 1053 C ARG A 73 6.845 4.545 -7.955 1.00 0.00 C ATOM 1054 O ARG A 73 6.433 3.615 -7.262 1.00 0.00 O ATOM 1055 CB ARG A 73 5.055 6.278 -7.735 1.00 0.00 C ATOM 1056 CG ARG A 73 5.888 7.264 -6.932 1.00 0.00 C ATOM 1057 CD ARG A 73 6.018 8.598 -7.651 1.00 0.00 C ATOM 1058 NE ARG A 73 6.759 9.576 -6.859 1.00 0.00 N ATOM 1059 CZ ARG A 73 6.713 10.886 -7.079 1.00 0.00 C ATOM 1060 NH1 ARG A 73 5.966 11.371 -8.061 1.00 0.00 N ATOM 1061 NH2 ARG A 73 7.415 11.713 -6.315 1.00 0.00 N ATOM 0 H ARG A 73 4.637 3.797 -9.126 1.00 0.00 H new ATOM 0 HA ARG A 73 6.450 6.108 -9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.291 6.826 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.535 5.610 -7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.429 7.419 -5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.879 6.846 -6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.522 8.448 -8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.025 8.989 -7.873 1.00 0.00 H new ATOM 0 HE ARG A 73 7.343 9.235 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.425 10.738 -8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.933 12.377 -8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.991 11.344 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.379 12.718 -6.484 1.00 0.00 H new ATOM 1075 N ASP A 74 8.136 4.832 -8.088 1.00 0.00 N ATOM 1076 CA ASP A 74 9.166 4.053 -7.410 1.00 0.00 C ATOM 1077 C ASP A 74 9.007 4.144 -5.896 1.00 0.00 C ATOM 1078 O ASP A 74 9.593 5.015 -5.252 1.00 0.00 O ATOM 1079 CB ASP A 74 10.556 4.541 -7.820 1.00 0.00 C ATOM 1080 CG ASP A 74 10.989 3.992 -9.165 1.00 0.00 C ATOM 1081 OD1 ASP A 74 10.306 4.279 -10.171 1.00 0.00 O ATOM 1082 OD2 ASP A 74 12.011 3.277 -9.213 1.00 0.00 O ATOM 0 H ASP A 74 8.494 5.598 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 74 9.053 3.010 -7.707 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.559 5.630 -7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.280 4.246 -7.060 1.00 0.00 H new ATOM 1087 N ILE A 75 8.212 3.240 -5.334 1.00 0.00 N ATOM 1088 CA ILE A 75 7.977 3.218 -3.896 1.00 0.00 C ATOM 1089 C ILE A 75 8.939 2.264 -3.196 1.00 0.00 C ATOM 1090 O ILE A 75 9.101 2.313 -1.977 1.00 0.00 O ATOM 1091 CB ILE A 75 6.530 2.803 -3.568 1.00 0.00 C ATOM 1092 CG1 ILE A 75 6.321 1.318 -3.874 1.00 0.00 C ATOM 1093 CG2 ILE A 75 5.544 3.655 -4.352 1.00 0.00 C ATOM 1094 CD1 ILE A 75 6.670 0.408 -2.718 1.00 0.00 C ATOM 0 H ILE A 75 7.720 2.513 -5.853 1.00 0.00 H new ATOM 0 HA ILE A 75 8.147 4.232 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 75 6.353 2.964 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.280 1.156 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.928 1.044 -4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.526 3.350 -4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.681 4.704 -4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.718 3.523 -5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.498 -0.629 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.719 0.541 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.045 0.655 -1.859 1.00 0.00 H new ATOM 1106 N ALA A 76 9.576 1.396 -3.976 1.00 0.00 N ATOM 1107 CA ALA A 76 10.525 0.433 -3.432 1.00 0.00 C ATOM 1108 C ALA A 76 11.576 1.125 -2.571 1.00 0.00 C ATOM 1109 O ALA A 76 12.175 0.506 -1.691 1.00 0.00 O ATOM 1110 CB ALA A 76 11.190 -0.345 -4.557 1.00 0.00 C ATOM 0 H ALA A 76 9.452 1.340 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 76 9.976 -0.264 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.896 -1.061 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.431 -0.878 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.720 0.345 -5.213 1.00 0.00 H new ATOM 1116 N GLU A 77 11.795 2.410 -2.830 1.00 0.00 N ATOM 1117 CA GLU A 77 12.776 3.184 -2.078 1.00 0.00 C ATOM 1118 C GLU A 77 12.108 3.947 -0.938 1.00 0.00 C ATOM 1119 O GLU A 77 12.728 4.213 0.093 1.00 0.00 O ATOM 1120 CB GLU A 77 13.504 4.161 -3.003 1.00 0.00 C ATOM 1121 CG GLU A 77 14.371 3.479 -4.048 1.00 0.00 C ATOM 1122 CD GLU A 77 15.769 3.180 -3.542 1.00 0.00 C ATOM 1123 OE1 GLU A 77 16.606 4.106 -3.530 1.00 0.00 O ATOM 1124 OE2 GLU A 77 16.025 2.020 -3.157 1.00 0.00 O ATOM 0 H GLU A 77 11.307 2.937 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 77 13.500 2.490 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.768 4.788 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.128 4.822 -2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.895 2.549 -4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.437 4.115 -4.931 1.00 0.00 H new ATOM 1131 N HIS A 78 10.840 4.298 -1.130 1.00 0.00 N ATOM 1132 CA HIS A 78 10.088 5.030 -0.118 1.00 0.00 C ATOM 1133 C HIS A 78 9.922 4.194 1.147 1.00 0.00 C ATOM 1134 O HIS A 78 9.739 2.978 1.082 1.00 0.00 O ATOM 1135 CB HIS A 78 8.716 5.430 -0.663 1.00 0.00 C ATOM 1136 CG HIS A 78 8.781 6.431 -1.774 1.00 0.00 C ATOM 1137 ND1 HIS A 78 7.825 6.520 -2.765 1.00 0.00 N ATOM 1138 CD2 HIS A 78 9.694 7.392 -2.048 1.00 0.00 C ATOM 1139 CE1 HIS A 78 8.149 7.490 -3.600 1.00 0.00 C ATOM 1140 NE2 HIS A 78 9.278 8.036 -3.188 1.00 0.00 N ATOM 0 H HIS A 78 10.312 4.087 -1.977 1.00 0.00 H new ATOM 0 HA HIS A 78 10.648 5.931 0.135 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.201 4.537 -1.019 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.117 5.840 0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.584 7.612 -1.477 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.586 7.787 -4.472 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.763 8.810 -3.642 1.00 0.00 H new ATOM 1149 N THR A 79 9.989 4.854 2.299 1.00 0.00 N ATOM 1150 CA THR A 79 9.849 4.172 3.580 1.00 0.00 C ATOM 1151 C THR A 79 8.414 3.707 3.801 1.00 0.00 C ATOM 1152 O THR A 79 7.472 4.291 3.264 1.00 0.00 O ATOM 1153 CB THR A 79 10.268 5.082 4.750 1.00 0.00 C ATOM 1154 OG1 THR A 79 9.335 6.159 4.891 1.00 0.00 O ATOM 1155 CG2 THR A 79 11.665 5.641 4.528 1.00 0.00 C ATOM 0 H THR A 79 10.139 5.860 2.371 1.00 0.00 H new ATOM 0 HA THR A 79 10.509 3.305 3.550 1.00 0.00 H new ATOM 0 HB THR A 79 10.274 4.485 5.662 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.607 6.732 5.638 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.939 6.280 5.367 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.377 4.820 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.682 6.224 3.607 1.00 0.00 H new ATOM 1163 N HIS A 80 8.254 2.653 4.595 1.00 0.00 N ATOM 1164 CA HIS A 80 6.933 2.110 4.888 1.00 0.00 C ATOM 1165 C HIS A 80 5.962 3.223 5.272 1.00 0.00 C ATOM 1166 O HIS A 80 4.837 3.277 4.774 1.00 0.00 O ATOM 1167 CB HIS A 80 7.019 1.081 6.016 1.00 0.00 C ATOM 1168 CG HIS A 80 5.714 0.841 6.709 1.00 0.00 C ATOM 1169 ND1 HIS A 80 4.677 0.135 6.136 1.00 0.00 N ATOM 1170 CD2 HIS A 80 5.280 1.216 7.935 1.00 0.00 C ATOM 1171 CE1 HIS A 80 3.661 0.087 6.980 1.00 0.00 C ATOM 1172 NE2 HIS A 80 4.001 0.735 8.079 1.00 0.00 N ATOM 0 H HIS A 80 9.023 2.158 5.047 1.00 0.00 H new ATOM 0 HA HIS A 80 6.561 1.620 3.988 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.384 0.138 5.609 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.753 1.417 6.748 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.836 1.787 8.664 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.714 -0.400 6.801 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.410 0.858 8.901 1.00 0.00 H new ATOM 1181 N ASP A 81 6.403 4.106 6.160 1.00 0.00 N ATOM 1182 CA ASP A 81 5.573 5.218 6.610 1.00 0.00 C ATOM 1183 C ASP A 81 5.001 5.985 5.422 1.00 0.00 C ATOM 1184 O ASP A 81 3.785 6.055 5.244 1.00 0.00 O ATOM 1185 CB ASP A 81 6.385 6.161 7.499 1.00 0.00 C ATOM 1186 CG ASP A 81 6.679 5.563 8.861 1.00 0.00 C ATOM 1187 OD1 ASP A 81 7.306 4.484 8.913 1.00 0.00 O ATOM 1188 OD2 ASP A 81 6.283 6.175 9.875 1.00 0.00 O ATOM 0 H ASP A 81 7.331 4.074 6.583 1.00 0.00 H new ATOM 0 HA ASP A 81 4.744 4.810 7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.324 6.405 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.839 7.096 7.626 1.00 0.00 H new ATOM 1193 N GLN A 82 5.885 6.559 4.614 1.00 0.00 N ATOM 1194 CA GLN A 82 5.467 7.323 3.444 1.00 0.00 C ATOM 1195 C GLN A 82 4.564 6.487 2.543 1.00 0.00 C ATOM 1196 O GLN A 82 3.392 6.811 2.349 1.00 0.00 O ATOM 1197 CB GLN A 82 6.689 7.802 2.658 1.00 0.00 C ATOM 1198 CG GLN A 82 7.556 8.789 3.424 1.00 0.00 C ATOM 1199 CD GLN A 82 6.845 10.099 3.698 1.00 0.00 C ATOM 1200 OE1 GLN A 82 6.778 10.975 2.836 1.00 0.00 O ATOM 1201 NE2 GLN A 82 6.309 10.241 4.905 1.00 0.00 N ATOM 0 H GLN A 82 6.895 6.510 4.747 1.00 0.00 H new ATOM 0 HA GLN A 82 4.904 8.190 3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.294 6.939 2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.355 8.268 1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.861 8.341 4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.465 8.985 2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.388 9.489 5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.818 11.102 5.147 1.00 0.00 H new ATOM 1210 N VAL A 83 5.118 5.411 1.993 1.00 0.00 N ATOM 1211 CA VAL A 83 4.362 4.528 1.112 1.00 0.00 C ATOM 1212 C VAL A 83 2.915 4.400 1.573 1.00 0.00 C ATOM 1213 O VAL A 83 1.987 4.773 0.854 1.00 0.00 O ATOM 1214 CB VAL A 83 4.995 3.125 1.046 1.00 0.00 C ATOM 1215 CG1 VAL A 83 4.020 2.128 0.439 1.00 0.00 C ATOM 1216 CG2 VAL A 83 6.293 3.164 0.254 1.00 0.00 C ATOM 0 H VAL A 83 6.087 5.130 2.142 1.00 0.00 H new ATOM 0 HA VAL A 83 4.385 4.976 0.119 1.00 0.00 H new ATOM 0 HB VAL A 83 5.225 2.800 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.484 1.143 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.119 2.081 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.757 2.445 -0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.727 2.165 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.090 3.509 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.993 3.846 0.736 1.00 0.00 H new ATOM 1226 N VAL A 84 2.728 3.869 2.778 1.00 0.00 N ATOM 1227 CA VAL A 84 1.393 3.692 3.336 1.00 0.00 C ATOM 1228 C VAL A 84 0.516 4.908 3.059 1.00 0.00 C ATOM 1229 O VAL A 84 -0.627 4.775 2.619 1.00 0.00 O ATOM 1230 CB VAL A 84 1.448 3.449 4.856 1.00 0.00 C ATOM 1231 CG1 VAL A 84 0.083 3.684 5.485 1.00 0.00 C ATOM 1232 CG2 VAL A 84 1.946 2.043 5.153 1.00 0.00 C ATOM 0 H VAL A 84 3.484 3.554 3.386 1.00 0.00 H new ATOM 0 HA VAL A 84 0.961 2.817 2.851 1.00 0.00 H new ATOM 0 HB VAL A 84 2.150 4.159 5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.142 3.507 6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.229 4.712 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.643 3.001 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.979 1.889 6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.271 1.315 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.946 1.916 4.738 1.00 0.00 H new ATOM 1242 N LEU A 85 1.057 6.093 3.318 1.00 0.00 N ATOM 1243 CA LEU A 85 0.324 7.335 3.096 1.00 0.00 C ATOM 1244 C LEU A 85 0.109 7.580 1.606 1.00 0.00 C ATOM 1245 O LEU A 85 -0.997 7.905 1.173 1.00 0.00 O ATOM 1246 CB LEU A 85 1.078 8.513 3.715 1.00 0.00 C ATOM 1247 CG LEU A 85 0.771 8.809 5.183 1.00 0.00 C ATOM 1248 CD1 LEU A 85 1.041 7.584 6.043 1.00 0.00 C ATOM 1249 CD2 LEU A 85 1.589 9.996 5.670 1.00 0.00 C ATOM 0 H LEU A 85 2.001 6.220 3.682 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.651 7.244 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.147 8.325 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.858 9.407 3.131 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.286 9.062 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.817 7.814 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.411 6.759 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.089 7.299 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.358 10.192 6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.651 9.772 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.345 10.875 5.073 1.00 0.00 H new ATOM 1261 N PHE A 86 1.173 7.421 0.825 1.00 0.00 N ATOM 1262 CA PHE A 86 1.100 7.624 -0.617 1.00 0.00 C ATOM 1263 C PHE A 86 -0.173 7.007 -1.190 1.00 0.00 C ATOM 1264 O PHE A 86 -0.866 7.626 -1.998 1.00 0.00 O ATOM 1265 CB PHE A 86 2.327 7.018 -1.301 1.00 0.00 C ATOM 1266 CG PHE A 86 2.637 7.638 -2.634 1.00 0.00 C ATOM 1267 CD1 PHE A 86 2.816 9.007 -2.752 1.00 0.00 C ATOM 1268 CD2 PHE A 86 2.749 6.851 -3.769 1.00 0.00 C ATOM 1269 CE1 PHE A 86 3.102 9.580 -3.976 1.00 0.00 C ATOM 1270 CE2 PHE A 86 3.035 7.419 -4.996 1.00 0.00 C ATOM 1271 CZ PHE A 86 3.211 8.785 -5.100 1.00 0.00 C ATOM 0 H PHE A 86 2.096 7.152 1.167 1.00 0.00 H new ATOM 0 HA PHE A 86 1.079 8.697 -0.807 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.191 7.132 -0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.167 5.948 -1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.731 9.634 -1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.611 5.782 -3.694 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.240 10.648 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.121 6.795 -5.873 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.433 9.230 -6.058 1.00 0.00 H new ATOM 1281 N ILE A 87 -0.473 5.784 -0.766 1.00 0.00 N ATOM 1282 CA ILE A 87 -1.661 5.083 -1.236 1.00 0.00 C ATOM 1283 C ILE A 87 -2.930 5.844 -0.867 1.00 0.00 C ATOM 1284 O ILE A 87 -3.830 6.009 -1.690 1.00 0.00 O ATOM 1285 CB ILE A 87 -1.742 3.660 -0.653 1.00 0.00 C ATOM 1286 CG1 ILE A 87 -0.501 2.854 -1.043 1.00 0.00 C ATOM 1287 CG2 ILE A 87 -3.006 2.962 -1.134 1.00 0.00 C ATOM 1288 CD1 ILE A 87 -0.266 1.645 -0.165 1.00 0.00 C ATOM 0 H ILE A 87 0.090 5.258 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.581 5.019 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.780 3.730 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.600 2.528 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.374 3.503 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.049 1.957 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.880 3.528 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.996 2.900 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.630 1.121 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.135 1.966 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.123 0.975 -0.231 1.00 0.00 H new ATOM 1300 N LYS A 88 -2.994 6.309 0.376 1.00 0.00 N ATOM 1301 CA LYS A 88 -4.151 7.057 0.855 1.00 0.00 C ATOM 1302 C LYS A 88 -4.291 8.379 0.109 1.00 0.00 C ATOM 1303 O LYS A 88 -5.387 8.928 0.000 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.029 7.317 2.358 1.00 0.00 C ATOM 1305 CG LYS A 88 -4.611 6.208 3.217 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.582 5.129 3.508 1.00 0.00 C ATOM 1307 CE LYS A 88 -2.699 5.504 4.688 1.00 0.00 C ATOM 1308 NZ LYS A 88 -3.312 5.112 5.987 1.00 0.00 N ATOM 0 H LYS A 88 -2.258 6.181 1.070 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.042 6.459 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.977 7.447 2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.533 8.253 2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.976 6.627 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.469 5.766 2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.090 4.187 3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.963 4.968 2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.728 5.019 4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.521 6.579 4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.679 5.385 6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.227 5.594 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.459 4.083 6.005 1.00 0.00 H new ATOM 1322 N ALA A 89 -3.174 8.885 -0.404 1.00 0.00 N ATOM 1323 CA ALA A 89 -3.174 10.141 -1.143 1.00 0.00 C ATOM 1324 C ALA A 89 -4.244 10.140 -2.230 1.00 0.00 C ATOM 1325 O ALA A 89 -4.901 11.153 -2.469 1.00 0.00 O ATOM 1326 CB ALA A 89 -1.802 10.396 -1.751 1.00 0.00 C ATOM 0 H ALA A 89 -2.258 8.444 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.405 10.944 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.817 11.337 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.057 10.450 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.549 9.583 -2.431 1.00 0.00 H new ATOM 1429 N GLU A 97 -8.775 6.411 -10.860 1.00 0.00 N ATOM 1430 CA GLU A 97 -8.603 4.990 -10.577 1.00 0.00 C ATOM 1431 C GLU A 97 -7.227 4.718 -9.976 1.00 0.00 C ATOM 1432 O GLU A 97 -6.344 5.577 -10.002 1.00 0.00 O ATOM 1433 CB GLU A 97 -8.786 4.168 -11.854 1.00 0.00 C ATOM 1434 CG GLU A 97 -9.006 2.686 -11.597 1.00 0.00 C ATOM 1435 CD GLU A 97 -9.423 1.933 -12.846 1.00 0.00 C ATOM 1436 OE1 GLU A 97 -8.801 2.153 -13.906 1.00 0.00 O ATOM 1437 OE2 GLU A 97 -10.371 1.125 -12.762 1.00 0.00 O ATOM 0 HA GLU A 97 -9.362 4.695 -9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.636 4.562 -12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.906 4.292 -12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.088 2.249 -11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.772 2.564 -10.831 1.00 0.00 H new ATOM 1444 N LEU A 98 -7.051 3.517 -9.436 1.00 0.00 N ATOM 1445 CA LEU A 98 -5.783 3.130 -8.828 1.00 0.00 C ATOM 1446 C LEU A 98 -5.166 1.944 -9.562 1.00 0.00 C ATOM 1447 O LEU A 98 -5.848 0.965 -9.863 1.00 0.00 O ATOM 1448 CB LEU A 98 -5.987 2.781 -7.353 1.00 0.00 C ATOM 1449 CG LEU A 98 -4.803 3.058 -6.427 1.00 0.00 C ATOM 1450 CD1 LEU A 98 -5.289 3.402 -5.027 1.00 0.00 C ATOM 1451 CD2 LEU A 98 -3.864 1.861 -6.388 1.00 0.00 C ATOM 0 H LEU A 98 -7.770 2.795 -9.407 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.100 3.976 -8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.848 3.338 -6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.238 1.723 -7.282 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.253 3.913 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.432 3.596 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.920 4.290 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.863 2.567 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.027 2.077 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.403 0.988 -6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.488 1.660 -7.391 1.00 0.00 H new ATOM 1463 N MET A 99 -3.871 2.039 -9.847 1.00 0.00 N ATOM 1464 CA MET A 99 -3.162 0.971 -10.543 1.00 0.00 C ATOM 1465 C MET A 99 -1.886 0.591 -9.799 1.00 0.00 C ATOM 1466 O MET A 99 -1.002 1.424 -9.597 1.00 0.00 O ATOM 1467 CB MET A 99 -2.824 1.402 -11.972 1.00 0.00 C ATOM 1468 CG MET A 99 -2.732 0.242 -12.950 1.00 0.00 C ATOM 1469 SD MET A 99 -2.362 0.780 -14.631 1.00 0.00 S ATOM 1470 CE MET A 99 -3.931 0.469 -15.438 1.00 0.00 C ATOM 0 H MET A 99 -3.292 2.844 -9.607 1.00 0.00 H new ATOM 0 HA MET A 99 -3.814 0.098 -10.579 1.00 0.00 H new ATOM 0 HB2 MET A 99 -3.583 2.102 -12.321 1.00 0.00 H new ATOM 0 HB3 MET A 99 -1.875 1.938 -11.966 1.00 0.00 H new ATOM 0 HG2 MET A 99 -1.959 -0.450 -12.616 1.00 0.00 H new ATOM 0 HG3 MET A 99 -3.674 -0.307 -12.947 1.00 0.00 H new ATOM 0 HE1 MET A 99 -3.791 -0.258 -16.238 1.00 0.00 H new ATOM 0 HE2 MET A 99 -4.642 0.076 -14.711 1.00 0.00 H new ATOM 0 HE3 MET A 99 -4.316 1.399 -15.856 1.00 0.00 H new ATOM 1480 N LEU A 100 -1.797 -0.671 -9.394 1.00 0.00 N ATOM 1481 CA LEU A 100 -0.629 -1.162 -8.671 1.00 0.00 C ATOM 1482 C LEU A 100 0.078 -2.259 -9.460 1.00 0.00 C ATOM 1483 O LEU A 100 -0.519 -2.897 -10.329 1.00 0.00 O ATOM 1484 CB LEU A 100 -1.040 -1.691 -7.296 1.00 0.00 C ATOM 1485 CG LEU A 100 -1.930 -0.769 -6.461 1.00 0.00 C ATOM 1486 CD1 LEU A 100 -2.796 -1.581 -5.511 1.00 0.00 C ATOM 1487 CD2 LEU A 100 -1.084 0.233 -5.690 1.00 0.00 C ATOM 0 H LEU A 100 -2.520 -1.373 -9.554 1.00 0.00 H new ATOM 0 HA LEU A 100 0.063 -0.330 -8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.561 -2.638 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.136 -1.904 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.585 -0.218 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.423 -0.909 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.428 -2.259 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.159 -2.159 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.734 0.881 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.404 -0.300 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.507 0.837 -6.390 1.00 0.00 H new ATOM 1499 N LEU A 101 1.352 -2.476 -9.151 1.00 0.00 N ATOM 1500 CA LEU A 101 2.140 -3.498 -9.830 1.00 0.00 C ATOM 1501 C LEU A 101 2.640 -4.546 -8.841 1.00 0.00 C ATOM 1502 O LEU A 101 3.558 -4.291 -8.061 1.00 0.00 O ATOM 1503 CB LEU A 101 3.326 -2.859 -10.555 1.00 0.00 C ATOM 1504 CG LEU A 101 3.818 -3.585 -11.807 1.00 0.00 C ATOM 1505 CD1 LEU A 101 2.654 -3.909 -12.729 1.00 0.00 C ATOM 1506 CD2 LEU A 101 4.860 -2.748 -12.534 1.00 0.00 C ATOM 0 H LEU A 101 1.861 -1.958 -8.435 1.00 0.00 H new ATOM 0 HA LEU A 101 1.498 -3.990 -10.560 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.050 -1.842 -10.834 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.157 -2.783 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 101 4.283 -4.522 -11.501 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.024 -4.426 -13.615 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.943 -4.549 -12.206 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.159 -2.985 -13.028 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.199 -3.280 -13.423 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.421 -1.795 -12.828 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.708 -2.568 -11.873 1.00 0.00 H new ATOM 1518 N VAL A 102 2.032 -5.728 -8.880 1.00 0.00 N ATOM 1519 CA VAL A 102 2.417 -6.816 -7.990 1.00 0.00 C ATOM 1520 C VAL A 102 2.942 -8.011 -8.777 1.00 0.00 C ATOM 1521 O VAL A 102 2.685 -8.139 -9.975 1.00 0.00 O ATOM 1522 CB VAL A 102 1.233 -7.271 -7.115 1.00 0.00 C ATOM 1523 CG1 VAL A 102 0.642 -6.090 -6.360 1.00 0.00 C ATOM 1524 CG2 VAL A 102 0.174 -7.955 -7.966 1.00 0.00 C ATOM 0 H VAL A 102 1.270 -5.956 -9.519 1.00 0.00 H new ATOM 0 HA VAL A 102 3.209 -6.433 -7.346 1.00 0.00 H new ATOM 0 HB VAL A 102 1.600 -7.992 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.193 -6.431 -5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.406 -5.649 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.289 -5.343 -7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.655 -8.270 -7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.191 -7.259 -8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.608 -8.827 -8.455 1.00 0.00 H new ATOM 1534 N ARG A 103 3.677 -8.884 -8.097 1.00 0.00 N ATOM 1535 CA ARG A 103 4.239 -10.069 -8.734 1.00 0.00 C ATOM 1536 C ARG A 103 3.465 -11.321 -8.332 1.00 0.00 C ATOM 1537 O ARG A 103 3.247 -11.593 -7.151 1.00 0.00 O ATOM 1538 CB ARG A 103 5.714 -10.226 -8.357 1.00 0.00 C ATOM 1539 CG ARG A 103 6.344 -11.506 -8.882 1.00 0.00 C ATOM 1540 CD ARG A 103 7.766 -11.677 -8.371 1.00 0.00 C ATOM 1541 NE ARG A 103 8.691 -10.742 -9.005 1.00 0.00 N ATOM 1542 CZ ARG A 103 9.989 -10.690 -8.726 1.00 0.00 C ATOM 1543 NH1 ARG A 103 10.512 -11.516 -7.830 1.00 0.00 N ATOM 1544 NH2 ARG A 103 10.767 -9.812 -9.346 1.00 0.00 N ATOM 0 H ARG A 103 3.897 -8.793 -7.105 1.00 0.00 H new ATOM 0 HA ARG A 103 4.158 -9.943 -9.814 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.272 -9.372 -8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.807 -10.204 -7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.741 -12.361 -8.577 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.347 -11.491 -9.972 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.784 -11.528 -7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.098 -12.698 -8.558 1.00 0.00 H new ATOM 0 HE ARG A 103 8.321 -10.094 -9.700 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.917 -12.194 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.509 -11.474 -7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.369 -9.176 -10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.763 -9.773 -9.131 1.00 0.00 H new ATOM 1558 N PRO A 104 3.038 -12.101 -9.336 1.00 0.00 N ATOM 1559 CA PRO A 104 2.282 -13.337 -9.112 1.00 0.00 C ATOM 1560 C PRO A 104 3.137 -14.436 -8.491 1.00 0.00 C ATOM 1561 O PRO A 104 4.340 -14.513 -8.737 1.00 0.00 O ATOM 1562 CB PRO A 104 1.834 -13.739 -10.520 1.00 0.00 C ATOM 1563 CG PRO A 104 2.841 -13.121 -11.428 1.00 0.00 C ATOM 1564 CD PRO A 104 3.263 -11.838 -10.767 1.00 0.00 C ATOM 0 HA PRO A 104 1.458 -13.190 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 104 1.811 -14.823 -10.634 1.00 0.00 H new ATOM 0 HB3 PRO A 104 0.830 -13.374 -10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 104 3.694 -13.784 -11.573 1.00 0.00 H new ATOM 0 HG3 PRO A 104 2.414 -12.931 -12.413 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.308 -11.604 -10.973 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.672 -10.992 -11.118 1.00 0.00 H new