USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 410 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 18 HIS : no HD1:sc= -1.04 X(o=-1.6,f=-2) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 1.3: A 33 TYR OH : rot 180:sc= -0.556 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -133:sc= -1.12 (180deg=-3.95!) USER MOD Single : A 39 GLN : amide:sc= -2.76! C(o=-2.8!,f=-7.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 79:sc= 0.991 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ARG A 15 2.951 3.543 -0.043 1.00 0.00 N ATOM 182 CA ARG A 15 3.235 2.127 0.156 1.00 0.00 C ATOM 183 C ARG A 15 3.736 1.867 1.574 1.00 0.00 C ATOM 184 O ARG A 15 4.590 2.593 2.085 1.00 0.00 O ATOM 185 CB ARG A 15 4.272 1.645 -0.859 1.00 0.00 C ATOM 186 CG ARG A 15 3.663 1.115 -2.147 1.00 0.00 C ATOM 187 CD ARG A 15 4.585 1.345 -3.335 1.00 0.00 C ATOM 188 NE ARG A 15 5.880 0.694 -3.157 1.00 0.00 N ATOM 189 CZ ARG A 15 6.874 0.784 -4.033 1.00 0.00 C ATOM 190 NH1 ARG A 15 6.723 1.494 -5.143 1.00 0.00 N ATOM 191 NH2 ARG A 15 8.023 0.163 -3.801 1.00 0.00 N ATOM 0 HA ARG A 15 2.308 1.572 0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.945 2.469 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.877 0.861 -0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.460 0.049 -2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.706 1.605 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.111 0.967 -4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.734 2.415 -3.476 1.00 0.00 H new ATOM 0 HE ARG A 15 6.029 0.140 -2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.841 1.973 -5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.489 1.561 -5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.144 -0.384 -2.949 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.786 0.233 -4.475 1.00 0.00 H new ATOM 205 N LEU A 16 3.199 0.828 2.204 1.00 0.00 N ATOM 206 CA LEU A 16 3.591 0.472 3.563 1.00 0.00 C ATOM 207 C LEU A 16 4.325 -0.865 3.586 1.00 0.00 C ATOM 208 O LEU A 16 3.879 -1.838 2.979 1.00 0.00 O ATOM 209 CB LEU A 16 2.360 0.407 4.470 1.00 0.00 C ATOM 210 CG LEU A 16 2.560 -0.271 5.825 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.527 0.529 6.684 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.227 -0.442 6.538 1.00 0.00 C ATOM 0 H LEU A 16 2.491 0.218 1.796 1.00 0.00 H new ATOM 0 HA LEU A 16 4.267 1.243 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.007 1.424 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.568 -0.119 3.937 1.00 0.00 H new ATOM 0 HG LEU A 16 2.988 -1.259 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.657 0.031 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.490 0.600 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.128 1.530 6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.389 -0.926 7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.771 0.535 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.565 -1.058 5.929 1.00 0.00 H new ATOM 224 N GLU A 17 5.450 -0.905 4.292 1.00 0.00 N ATOM 225 CA GLU A 17 6.244 -2.123 4.394 1.00 0.00 C ATOM 226 C GLU A 17 5.569 -3.137 5.314 1.00 0.00 C ATOM 227 O GLU A 17 5.154 -2.804 6.425 1.00 0.00 O ATOM 228 CB GLU A 17 7.647 -1.802 4.913 1.00 0.00 C ATOM 229 CG GLU A 17 8.707 -2.790 4.454 1.00 0.00 C ATOM 230 CD GLU A 17 9.854 -2.915 5.438 1.00 0.00 C ATOM 231 OE1 GLU A 17 9.591 -2.918 6.659 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.014 -3.010 4.987 1.00 0.00 O ATOM 0 H GLU A 17 5.832 -0.108 4.802 1.00 0.00 H new ATOM 0 HA GLU A 17 6.324 -2.558 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.927 -0.802 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.627 -1.784 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.248 -3.768 4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.097 -2.475 3.486 1.00 0.00 H new ATOM 239 N HIS A 18 5.463 -4.376 4.844 1.00 0.00 N ATOM 240 CA HIS A 18 4.839 -5.439 5.623 1.00 0.00 C ATOM 241 C HIS A 18 5.731 -6.676 5.667 1.00 0.00 C ATOM 242 O HIS A 18 5.978 -7.310 4.641 1.00 0.00 O ATOM 243 CB HIS A 18 3.475 -5.799 5.033 1.00 0.00 C ATOM 244 CG HIS A 18 2.798 -6.933 5.740 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.711 -6.760 6.571 1.00 0.00 N ATOM 246 CD2 HIS A 18 3.058 -8.261 5.734 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.332 -7.932 7.047 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.133 -8.860 6.554 1.00 0.00 N ATOM 0 H HIS A 18 5.801 -4.668 3.927 1.00 0.00 H new ATOM 0 HA HIS A 18 4.701 -5.076 6.642 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.829 -4.922 5.069 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.600 -6.059 3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.846 -8.757 5.187 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.508 -8.103 7.724 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.074 -9.859 6.750 1.00 0.00 H new ATOM 257 N GLN A 19 6.211 -7.012 6.860 1.00 0.00 N ATOM 258 CA GLN A 19 7.076 -8.172 7.035 1.00 0.00 C ATOM 259 C GLN A 19 6.402 -9.437 6.514 1.00 0.00 C ATOM 260 O GLN A 19 5.826 -10.208 7.283 1.00 0.00 O ATOM 261 CB GLN A 19 7.440 -8.345 8.511 1.00 0.00 C ATOM 262 CG GLN A 19 8.641 -9.249 8.740 1.00 0.00 C ATOM 263 CD GLN A 19 9.353 -8.954 10.045 1.00 0.00 C ATOM 264 OE1 GLN A 19 8.815 -9.192 11.127 1.00 0.00 O ATOM 265 NE2 GLN A 19 10.571 -8.433 9.950 1.00 0.00 N ATOM 0 H GLN A 19 6.016 -6.498 7.719 1.00 0.00 H new ATOM 0 HA GLN A 19 7.987 -8.004 6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.645 -7.366 8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.581 -8.754 9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.314 -10.289 8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.342 -9.132 7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.978 -8.252 9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.099 -8.214 10.795 1.00 0.00 H new ATOM 274 N LEU A 20 6.478 -9.645 5.204 1.00 0.00 N ATOM 275 CA LEU A 20 5.876 -10.818 4.580 1.00 0.00 C ATOM 276 C LEU A 20 6.244 -12.089 5.338 1.00 0.00 C ATOM 277 O LEU A 20 7.381 -12.554 5.272 1.00 0.00 O ATOM 278 CB LEU A 20 6.325 -10.931 3.122 1.00 0.00 C ATOM 279 CG LEU A 20 5.361 -11.648 2.176 1.00 0.00 C ATOM 280 CD1 LEU A 20 4.168 -10.761 1.857 1.00 0.00 C ATOM 281 CD2 LEU A 20 6.077 -12.062 0.899 1.00 0.00 C ATOM 0 H LEU A 20 6.950 -9.017 4.554 1.00 0.00 H new ATOM 0 HA LEU A 20 4.793 -10.700 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.499 -9.926 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.282 -11.452 3.097 1.00 0.00 H new ATOM 0 HG LEU A 20 4.996 -12.547 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.493 -11.288 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.641 -10.515 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.514 -9.844 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.376 -12.571 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.470 -11.177 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.898 -12.735 1.144 1.00 0.00 H new ATOM 293 N GLU A 21 5.274 -12.646 6.056 1.00 0.00 N ATOM 294 CA GLU A 21 5.497 -13.864 6.825 1.00 0.00 C ATOM 295 C GLU A 21 5.511 -15.088 5.914 1.00 0.00 C ATOM 296 O GLU A 21 4.915 -15.098 4.837 1.00 0.00 O ATOM 297 CB GLU A 21 4.414 -14.024 7.895 1.00 0.00 C ATOM 298 CG GLU A 21 4.538 -13.031 9.039 1.00 0.00 C ATOM 299 CD GLU A 21 5.955 -12.926 9.569 1.00 0.00 C ATOM 300 OE1 GLU A 21 6.493 -13.954 10.032 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.526 -11.817 9.521 1.00 0.00 O ATOM 0 H GLU A 21 4.327 -12.273 6.121 1.00 0.00 H new ATOM 0 HA GLU A 21 6.469 -13.783 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.435 -13.909 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.459 -15.036 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.207 -12.049 8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.872 -13.330 9.849 1.00 0.00 H new ATOM 308 N PRO A 22 6.208 -16.146 6.356 1.00 0.00 N ATOM 309 CA PRO A 22 6.317 -17.395 5.596 1.00 0.00 C ATOM 310 C PRO A 22 4.999 -18.160 5.546 1.00 0.00 C ATOM 311 O PRO A 22 4.924 -19.249 4.979 1.00 0.00 O ATOM 312 CB PRO A 22 7.369 -18.191 6.372 1.00 0.00 C ATOM 313 CG PRO A 22 7.297 -17.659 7.762 1.00 0.00 C ATOM 314 CD PRO A 22 6.942 -16.204 7.631 1.00 0.00 C ATOM 0 HA PRO A 22 6.581 -17.217 4.554 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.156 -19.260 6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.363 -18.054 5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.547 -18.193 8.346 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.249 -17.783 8.277 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.327 -15.864 8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.831 -15.573 7.612 1.00 0.00 H new ATOM 322 N GLY A 23 3.961 -17.582 6.143 1.00 0.00 N ATOM 323 CA GLY A 23 2.660 -18.225 6.155 1.00 0.00 C ATOM 324 C GLY A 23 1.533 -17.256 5.857 1.00 0.00 C ATOM 325 O GLY A 23 0.374 -17.527 6.171 1.00 0.00 O ATOM 0 H GLY A 23 3.998 -16.680 6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.648 -19.029 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.493 -18.683 7.130 1.00 0.00 H new ATOM 329 N ASP A 24 1.873 -16.123 5.252 1.00 0.00 N ATOM 330 CA ASP A 24 0.880 -15.110 4.913 1.00 0.00 C ATOM 331 C ASP A 24 0.296 -15.364 3.526 1.00 0.00 C ATOM 332 O ASP A 24 0.844 -16.141 2.743 1.00 0.00 O ATOM 333 CB ASP A 24 1.504 -13.715 4.969 1.00 0.00 C ATOM 334 CG ASP A 24 1.391 -13.085 6.343 1.00 0.00 C ATOM 335 OD1 ASP A 24 0.536 -13.536 7.135 1.00 0.00 O ATOM 336 OD2 ASP A 24 2.159 -12.142 6.628 1.00 0.00 O ATOM 0 H ASP A 24 2.828 -15.883 4.986 1.00 0.00 H new ATOM 0 HA ASP A 24 0.073 -15.169 5.644 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.555 -13.779 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.016 -13.072 4.236 1.00 0.00 H new ATOM 341 N THR A 25 -0.820 -14.705 3.230 1.00 0.00 N ATOM 342 CA THR A 25 -1.479 -14.861 1.939 1.00 0.00 C ATOM 343 C THR A 25 -1.893 -13.511 1.367 1.00 0.00 C ATOM 344 O THR A 25 -2.070 -12.540 2.104 1.00 0.00 O ATOM 345 CB THR A 25 -2.724 -15.763 2.050 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.611 -15.251 3.050 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.329 -17.190 2.396 1.00 0.00 C ATOM 0 H THR A 25 -1.286 -14.058 3.866 1.00 0.00 H new ATOM 0 HA THR A 25 -0.758 -15.330 1.270 1.00 0.00 H new ATOM 0 HB THR A 25 -3.230 -15.768 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.400 -15.828 3.114 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.224 -17.808 2.469 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.677 -17.586 1.617 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.802 -17.201 3.350 1.00 0.00 H new ATOM 355 N LEU A 26 -2.047 -13.455 0.048 1.00 0.00 N ATOM 356 CA LEU A 26 -2.442 -12.222 -0.624 1.00 0.00 C ATOM 357 C LEU A 26 -3.798 -11.737 -0.121 1.00 0.00 C ATOM 358 O LEU A 26 -3.943 -10.587 0.291 1.00 0.00 O ATOM 359 CB LEU A 26 -2.493 -12.437 -2.137 1.00 0.00 C ATOM 360 CG LEU A 26 -1.147 -12.641 -2.833 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.333 -13.372 -4.153 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.453 -11.305 -3.054 1.00 0.00 C ATOM 0 H LEU A 26 -1.904 -14.249 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.698 -11.459 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.119 -13.306 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.986 -11.577 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.516 -13.253 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.364 -13.508 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.786 -14.346 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.982 -12.787 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.503 -11.470 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.080 -10.668 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.284 -10.819 -2.093 1.00 0.00 H new ATOM 374 N ALA A 27 -4.787 -12.624 -0.156 1.00 0.00 N ATOM 375 CA ALA A 27 -6.130 -12.288 0.300 1.00 0.00 C ATOM 376 C ALA A 27 -6.095 -11.634 1.677 1.00 0.00 C ATOM 377 O ALA A 27 -6.788 -10.649 1.925 1.00 0.00 O ATOM 378 CB ALA A 27 -7.005 -13.532 0.326 1.00 0.00 C ATOM 0 H ALA A 27 -4.683 -13.580 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.557 -11.572 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.005 -13.266 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.065 -13.955 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.572 -14.267 1.005 1.00 0.00 H new ATOM 384 N GLY A 28 -5.282 -12.191 2.571 1.00 0.00 N ATOM 385 CA GLY A 28 -5.173 -11.649 3.913 1.00 0.00 C ATOM 386 C GLY A 28 -4.830 -10.172 3.915 1.00 0.00 C ATOM 387 O GLY A 28 -5.591 -9.351 4.430 1.00 0.00 O ATOM 0 H GLY A 28 -4.698 -13.007 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.115 -11.801 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.408 -12.197 4.462 1.00 0.00 H new ATOM 391 N LEU A 29 -3.681 -9.832 3.341 1.00 0.00 N ATOM 392 CA LEU A 29 -3.237 -8.444 3.281 1.00 0.00 C ATOM 393 C LEU A 29 -4.294 -7.563 2.623 1.00 0.00 C ATOM 394 O LEU A 29 -4.702 -6.544 3.181 1.00 0.00 O ATOM 395 CB LEU A 29 -1.920 -8.342 2.509 1.00 0.00 C ATOM 396 CG LEU A 29 -0.776 -9.220 3.017 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.432 -9.105 2.100 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.404 -8.841 4.442 1.00 0.00 C ATOM 0 H LEU A 29 -3.040 -10.499 2.911 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.081 -8.094 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.112 -8.597 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.590 -7.303 2.528 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.111 -10.257 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.236 -9.737 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.158 -9.427 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.768 -8.069 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.412 -9.477 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.088 -7.798 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.268 -8.976 5.092 1.00 0.00 H new ATOM 410 N ALA A 30 -4.736 -7.963 1.435 1.00 0.00 N ATOM 411 CA ALA A 30 -5.748 -7.212 0.704 1.00 0.00 C ATOM 412 C ALA A 30 -6.814 -6.665 1.647 1.00 0.00 C ATOM 413 O ALA A 30 -6.952 -5.451 1.807 1.00 0.00 O ATOM 414 CB ALA A 30 -6.386 -8.088 -0.364 1.00 0.00 C ATOM 0 H ALA A 30 -4.409 -8.803 0.959 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.259 -6.366 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.140 -7.514 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.620 -8.426 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.855 -8.952 0.107 1.00 0.00 H new ATOM 420 N LEU A 31 -7.566 -7.566 2.270 1.00 0.00 N ATOM 421 CA LEU A 31 -8.620 -7.173 3.198 1.00 0.00 C ATOM 422 C LEU A 31 -8.036 -6.477 4.423 1.00 0.00 C ATOM 423 O LEU A 31 -8.506 -5.415 4.831 1.00 0.00 O ATOM 424 CB LEU A 31 -9.429 -8.397 3.630 1.00 0.00 C ATOM 425 CG LEU A 31 -9.889 -9.328 2.507 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.050 -10.749 3.025 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.192 -8.828 1.901 1.00 0.00 C ATOM 0 H LEU A 31 -7.465 -8.574 2.149 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.279 -6.472 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.828 -8.976 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.309 -8.053 4.173 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.127 -9.332 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.378 -11.397 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.095 -11.106 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.793 -10.763 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.505 -9.502 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.962 -8.795 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.044 -7.828 1.493 1.00 0.00 H new ATOM 439 N LYS A 32 -7.006 -7.081 5.006 1.00 0.00 N ATOM 440 CA LYS A 32 -6.354 -6.520 6.182 1.00 0.00 C ATOM 441 C LYS A 32 -6.343 -4.995 6.123 1.00 0.00 C ATOM 442 O LYS A 32 -6.503 -4.324 7.142 1.00 0.00 O ATOM 443 CB LYS A 32 -4.921 -7.046 6.297 1.00 0.00 C ATOM 444 CG LYS A 32 -4.280 -6.775 7.647 1.00 0.00 C ATOM 445 CD LYS A 32 -2.772 -6.637 7.530 1.00 0.00 C ATOM 446 CE LYS A 32 -2.210 -5.730 8.614 1.00 0.00 C ATOM 447 NZ LYS A 32 -0.817 -6.105 8.984 1.00 0.00 N ATOM 0 H LYS A 32 -6.605 -7.961 4.682 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.920 -6.829 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.922 -8.120 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.312 -6.590 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.698 -5.863 8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.520 -7.586 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.309 -7.621 7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.517 -6.235 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.228 -4.696 8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.847 -5.782 9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.482 -5.485 9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.798 -7.094 9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.197 -5.998 8.156 1.00 0.00 H new ATOM 461 N TYR A 33 -6.155 -4.456 4.923 1.00 0.00 N ATOM 462 CA TYR A 33 -6.123 -3.011 4.731 1.00 0.00 C ATOM 463 C TYR A 33 -7.421 -2.516 4.102 1.00 0.00 C ATOM 464 O TYR A 33 -8.135 -1.700 4.683 1.00 0.00 O ATOM 465 CB TYR A 33 -4.934 -2.619 3.852 1.00 0.00 C ATOM 466 CG TYR A 33 -3.595 -2.791 4.532 1.00 0.00 C ATOM 467 CD1 TYR A 33 -3.044 -1.768 5.294 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.880 -3.976 4.412 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.820 -1.921 5.917 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.656 -4.138 5.032 1.00 0.00 C ATOM 471 CZ TYR A 33 -1.130 -3.108 5.783 1.00 0.00 C ATOM 472 OH TYR A 33 0.089 -3.264 6.401 1.00 0.00 O ATOM 0 H TYR A 33 -6.023 -4.998 4.069 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.013 -2.542 5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.951 -3.221 2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.046 -1.579 3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.581 -0.837 5.401 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.288 -4.785 3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.406 -1.116 6.506 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.114 -5.066 4.929 1.00 0.00 H new ATOM 0 HH TYR A 33 0.442 -4.158 6.208 1.00 0.00 H new ATOM 482 N GLY A 34 -7.721 -3.018 2.907 1.00 0.00 N ATOM 483 CA GLY A 34 -8.933 -2.617 2.217 1.00 0.00 C ATOM 484 C GLY A 34 -8.745 -2.536 0.715 1.00 0.00 C ATOM 485 O GLY A 34 -9.337 -1.684 0.053 1.00 0.00 O ATOM 0 H GLY A 34 -7.146 -3.695 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.728 -3.328 2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.257 -1.646 2.592 1.00 0.00 H new ATOM 489 N VAL A 35 -7.917 -3.425 0.175 1.00 0.00 N ATOM 490 CA VAL A 35 -7.652 -3.451 -1.258 1.00 0.00 C ATOM 491 C VAL A 35 -7.792 -4.863 -1.817 1.00 0.00 C ATOM 492 O VAL A 35 -7.981 -5.823 -1.070 1.00 0.00 O ATOM 493 CB VAL A 35 -6.242 -2.922 -1.578 1.00 0.00 C ATOM 494 CG1 VAL A 35 -6.064 -1.513 -1.034 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.182 -3.857 -1.016 1.00 0.00 C ATOM 0 H VAL A 35 -7.418 -4.137 0.709 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.391 -2.802 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.124 -2.885 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.062 -1.156 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.801 -0.851 -1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.202 -1.520 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.192 -3.468 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.296 -3.928 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.298 -4.846 -1.459 1.00 0.00 H new ATOM 505 N THR A 36 -7.698 -4.982 -3.138 1.00 0.00 N ATOM 506 CA THR A 36 -7.815 -6.276 -3.799 1.00 0.00 C ATOM 507 C THR A 36 -6.443 -6.842 -4.145 1.00 0.00 C ATOM 508 O THR A 36 -5.595 -6.144 -4.700 1.00 0.00 O ATOM 509 CB THR A 36 -8.656 -6.177 -5.085 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.768 -7.466 -5.699 1.00 0.00 O ATOM 511 CG2 THR A 36 -8.032 -5.195 -6.065 1.00 0.00 C ATOM 0 H THR A 36 -7.541 -4.198 -3.771 1.00 0.00 H new ATOM 0 HA THR A 36 -8.315 -6.944 -3.098 1.00 0.00 H new ATOM 0 HB THR A 36 -9.649 -5.817 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.306 -7.394 -6.515 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.643 -5.142 -6.966 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.976 -4.208 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.029 -5.530 -6.327 1.00 0.00 H new ATOM 519 N MET A 37 -6.231 -8.112 -3.815 1.00 0.00 N ATOM 520 CA MET A 37 -4.961 -8.772 -4.094 1.00 0.00 C ATOM 521 C MET A 37 -4.405 -8.333 -5.445 1.00 0.00 C ATOM 522 O MET A 37 -3.234 -7.972 -5.555 1.00 0.00 O ATOM 523 CB MET A 37 -5.136 -10.292 -4.072 1.00 0.00 C ATOM 524 CG MET A 37 -5.686 -10.821 -2.757 1.00 0.00 C ATOM 525 SD MET A 37 -6.657 -12.326 -2.966 1.00 0.00 S ATOM 526 CE MET A 37 -5.424 -13.433 -3.647 1.00 0.00 C ATOM 0 H MET A 37 -6.922 -8.704 -3.354 1.00 0.00 H new ATOM 0 HA MET A 37 -4.252 -8.483 -3.318 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.806 -10.584 -4.881 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.173 -10.763 -4.270 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.859 -11.019 -2.075 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.306 -10.055 -2.292 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.839 -13.952 -4.511 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.550 -12.859 -3.954 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.132 -14.162 -2.891 1.00 0.00 H new ATOM 536 N GLU A 38 -5.253 -8.366 -6.468 1.00 0.00 N ATOM 537 CA GLU A 38 -4.844 -7.971 -7.811 1.00 0.00 C ATOM 538 C GLU A 38 -4.125 -6.626 -7.788 1.00 0.00 C ATOM 539 O GLU A 38 -3.032 -6.485 -8.337 1.00 0.00 O ATOM 540 CB GLU A 38 -6.059 -7.897 -8.737 1.00 0.00 C ATOM 541 CG GLU A 38 -5.720 -8.098 -10.204 1.00 0.00 C ATOM 542 CD GLU A 38 -6.907 -8.577 -11.017 1.00 0.00 C ATOM 543 OE1 GLU A 38 -8.054 -8.276 -10.627 1.00 0.00 O ATOM 544 OE2 GLU A 38 -6.688 -9.254 -12.044 1.00 0.00 O ATOM 0 H GLU A 38 -6.226 -8.662 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.154 -8.725 -8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.783 -8.653 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.540 -6.927 -8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.354 -7.159 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.910 -8.822 -10.290 1.00 0.00 H new ATOM 551 N GLN A 39 -4.747 -5.640 -7.149 1.00 0.00 N ATOM 552 CA GLN A 39 -4.167 -4.305 -7.055 1.00 0.00 C ATOM 553 C GLN A 39 -2.726 -4.371 -6.560 1.00 0.00 C ATOM 554 O GLN A 39 -1.801 -3.950 -7.256 1.00 0.00 O ATOM 555 CB GLN A 39 -5.001 -3.429 -6.118 1.00 0.00 C ATOM 556 CG GLN A 39 -6.194 -2.776 -6.798 1.00 0.00 C ATOM 557 CD GLN A 39 -7.077 -2.018 -5.825 1.00 0.00 C ATOM 558 OE1 GLN A 39 -7.087 -2.304 -4.627 1.00 0.00 O ATOM 559 NE2 GLN A 39 -7.823 -1.047 -6.337 1.00 0.00 N ATOM 0 H GLN A 39 -5.652 -5.740 -6.689 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.169 -3.864 -8.052 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.355 -4.037 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.363 -2.652 -5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.839 -2.092 -7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.786 -3.542 -7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.782 -0.845 -7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.437 -0.502 -5.731 1.00 0.00 H new ATOM 568 N ILE A 40 -2.543 -4.901 -5.355 1.00 0.00 N ATOM 569 CA ILE A 40 -1.214 -5.022 -4.769 1.00 0.00 C ATOM 570 C ILE A 40 -0.231 -5.639 -5.758 1.00 0.00 C ATOM 571 O ILE A 40 0.847 -5.094 -6.000 1.00 0.00 O ATOM 572 CB ILE A 40 -1.240 -5.877 -3.488 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.179 -5.255 -2.452 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.163 -6.022 -2.919 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.516 -6.183 -1.307 1.00 0.00 C ATOM 0 H ILE A 40 -3.298 -5.253 -4.766 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.887 -4.013 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.613 -6.870 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.719 -4.351 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.102 -4.951 -2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.128 -6.629 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.806 -6.505 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.562 -5.036 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.185 -5.675 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.005 -7.076 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.601 -6.467 -0.787 1.00 0.00 H new ATOM 587 N LYS A 41 -0.609 -6.777 -6.329 1.00 0.00 N ATOM 588 CA LYS A 41 0.237 -7.468 -7.295 1.00 0.00 C ATOM 589 C LYS A 41 0.597 -6.548 -8.457 1.00 0.00 C ATOM 590 O LYS A 41 1.748 -6.133 -8.598 1.00 0.00 O ATOM 591 CB LYS A 41 -0.471 -8.719 -7.820 1.00 0.00 C ATOM 592 CG LYS A 41 -0.778 -9.743 -6.741 1.00 0.00 C ATOM 593 CD LYS A 41 -1.990 -10.585 -7.101 1.00 0.00 C ATOM 594 CE LYS A 41 -1.609 -11.761 -7.986 1.00 0.00 C ATOM 595 NZ LYS A 41 -2.724 -12.159 -8.890 1.00 0.00 N ATOM 0 H LYS A 41 -1.497 -7.241 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 41 1.157 -7.764 -6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.402 -8.423 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.151 -9.185 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.086 -10.391 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.956 -9.233 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.463 -10.952 -6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.725 -9.965 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.734 -11.499 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.327 -12.609 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.425 -12.964 -9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.551 -12.433 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.976 -11.358 -9.504 1.00 0.00 H new ATOM 609 N ARG A 42 -0.393 -6.233 -9.286 1.00 0.00 N ATOM 610 CA ARG A 42 -0.179 -5.363 -10.435 1.00 0.00 C ATOM 611 C ARG A 42 0.641 -4.137 -10.044 1.00 0.00 C ATOM 612 O ARG A 42 1.514 -3.697 -10.792 1.00 0.00 O ATOM 613 CB ARG A 42 -1.520 -4.925 -11.027 1.00 0.00 C ATOM 614 CG ARG A 42 -2.352 -6.076 -11.568 1.00 0.00 C ATOM 615 CD ARG A 42 -3.248 -5.627 -12.711 1.00 0.00 C ATOM 616 NE ARG A 42 -2.531 -5.576 -13.982 1.00 0.00 N ATOM 617 CZ ARG A 42 -2.141 -6.657 -14.649 1.00 0.00 C ATOM 618 NH1 ARG A 42 -2.399 -7.865 -14.169 1.00 0.00 N ATOM 619 NH2 ARG A 42 -1.492 -6.530 -15.800 1.00 0.00 N ATOM 0 H ARG A 42 -1.351 -6.568 -9.183 1.00 0.00 H new ATOM 0 HA ARG A 42 0.376 -5.925 -11.186 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.093 -4.403 -10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.337 -4.211 -11.830 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.692 -6.872 -11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.963 -6.492 -10.767 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.093 -6.310 -12.799 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.657 -4.642 -12.486 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.318 -4.661 -14.379 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.898 -7.967 -13.285 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.098 -8.693 -14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.292 -5.602 -16.173 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.193 -7.360 -16.311 1.00 0.00 H new ATOM 633 N ALA A 43 0.354 -3.590 -8.868 1.00 0.00 N ATOM 634 CA ALA A 43 1.065 -2.417 -8.376 1.00 0.00 C ATOM 635 C ALA A 43 2.561 -2.689 -8.264 1.00 0.00 C ATOM 636 O ALA A 43 3.381 -1.796 -8.473 1.00 0.00 O ATOM 637 CB ALA A 43 0.503 -1.984 -7.030 1.00 0.00 C ATOM 0 H ALA A 43 -0.367 -3.941 -8.237 1.00 0.00 H new ATOM 0 HA ALA A 43 0.922 -1.609 -9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.044 -1.107 -6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.554 -1.739 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.616 -2.795 -6.311 1.00 0.00 H new ATOM 643 N ASN A 44 2.910 -3.928 -7.933 1.00 0.00 N ATOM 644 CA ASN A 44 4.308 -4.317 -7.792 1.00 0.00 C ATOM 645 C ASN A 44 4.647 -5.477 -8.723 1.00 0.00 C ATOM 646 O ASN A 44 5.616 -6.203 -8.500 1.00 0.00 O ATOM 647 CB ASN A 44 4.607 -4.707 -6.343 1.00 0.00 C ATOM 648 CG ASN A 44 4.119 -3.668 -5.352 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.194 -2.466 -5.608 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.616 -4.128 -4.212 1.00 0.00 N ATOM 0 H ASN A 44 2.243 -4.680 -7.757 1.00 0.00 H new ATOM 0 HA ASN A 44 4.926 -3.462 -8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.136 -5.665 -6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.681 -4.845 -6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.272 -3.476 -3.507 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.573 -5.133 -4.042 1.00 0.00 H new ATOM 657 N ARG A 45 3.842 -5.645 -9.767 1.00 0.00 N ATOM 658 CA ARG A 45 4.055 -6.717 -10.732 1.00 0.00 C ATOM 659 C ARG A 45 4.651 -7.947 -10.055 1.00 0.00 C ATOM 660 O ARG A 45 5.601 -8.548 -10.559 1.00 0.00 O ATOM 661 CB ARG A 45 4.978 -6.243 -11.857 1.00 0.00 C ATOM 662 CG ARG A 45 6.410 -6.000 -11.408 1.00 0.00 C ATOM 663 CD ARG A 45 7.155 -5.105 -12.385 1.00 0.00 C ATOM 664 NE ARG A 45 7.810 -5.873 -13.441 1.00 0.00 N ATOM 665 CZ ARG A 45 7.184 -6.313 -14.526 1.00 0.00 C ATOM 666 NH1 ARG A 45 5.893 -6.063 -14.698 1.00 0.00 N ATOM 667 NH2 ARG A 45 7.849 -7.006 -15.442 1.00 0.00 N ATOM 0 H ARG A 45 3.036 -5.052 -9.966 1.00 0.00 H new ATOM 0 HA ARG A 45 3.088 -6.989 -11.155 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.977 -6.987 -12.654 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.578 -5.322 -12.280 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.410 -5.541 -10.420 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.931 -6.953 -11.316 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.458 -4.396 -12.832 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.901 -4.521 -11.845 1.00 0.00 H new ATOM 0 HE ARG A 45 8.803 -6.083 -13.339 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.378 -5.531 -13.996 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.415 -6.402 -15.533 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.842 -7.201 -15.313 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.367 -7.344 -16.275 1.00 0.00 H new ATOM 681 N LEU A 46 4.088 -8.316 -8.910 1.00 0.00 N ATOM 682 CA LEU A 46 4.564 -9.475 -8.162 1.00 0.00 C ATOM 683 C LEU A 46 4.232 -10.771 -8.895 1.00 0.00 C ATOM 684 O LEU A 46 4.798 -11.824 -8.603 1.00 0.00 O ATOM 685 CB LEU A 46 3.945 -9.494 -6.763 1.00 0.00 C ATOM 686 CG LEU A 46 4.724 -8.757 -5.674 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.897 -8.655 -4.402 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.047 -9.458 -5.398 1.00 0.00 C ATOM 0 H LEU A 46 3.302 -7.830 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 46 5.648 -9.398 -8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.947 -9.061 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.824 -10.533 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 46 4.937 -7.748 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.468 -8.127 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.977 -8.109 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.653 -9.656 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.589 -8.920 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.856 -10.479 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.645 -9.478 -6.309 1.00 0.00 H new ATOM 700 N TYR A 47 3.312 -10.684 -9.850 1.00 0.00 N ATOM 701 CA TYR A 47 2.904 -11.849 -10.626 1.00 0.00 C ATOM 702 C TYR A 47 4.115 -12.551 -11.233 1.00 0.00 C ATOM 703 O TYR A 47 4.717 -12.063 -12.190 1.00 0.00 O ATOM 704 CB TYR A 47 1.932 -11.437 -11.732 1.00 0.00 C ATOM 705 CG TYR A 47 2.587 -10.669 -12.858 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.725 -9.288 -12.795 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.067 -11.324 -13.985 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.322 -8.582 -13.822 1.00 0.00 C ATOM 709 CE2 TYR A 47 3.667 -10.627 -15.016 1.00 0.00 C ATOM 710 CZ TYR A 47 3.792 -9.256 -14.930 1.00 0.00 C ATOM 711 OH TYR A 47 4.388 -8.557 -15.955 1.00 0.00 O ATOM 0 H TYR A 47 2.835 -9.819 -10.105 1.00 0.00 H new ATOM 0 HA TYR A 47 2.403 -12.545 -9.953 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.459 -12.330 -12.140 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.140 -10.826 -11.299 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.359 -8.757 -11.928 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.969 -12.397 -14.057 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.420 -7.508 -13.758 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.036 -11.153 -15.884 1.00 0.00 H new ATOM 0 HH TYR A 47 4.664 -9.180 -16.659 1.00 0.00 H new ATOM 721 N THR A 48 4.467 -13.703 -10.669 1.00 0.00 N ATOM 722 CA THR A 48 5.606 -14.473 -11.153 1.00 0.00 C ATOM 723 C THR A 48 5.255 -15.952 -11.279 1.00 0.00 C ATOM 724 O THR A 48 4.295 -16.426 -10.673 1.00 0.00 O ATOM 725 CB THR A 48 6.822 -14.324 -10.220 1.00 0.00 C ATOM 726 OG1 THR A 48 6.480 -14.750 -8.896 1.00 0.00 O ATOM 727 CG2 THR A 48 7.303 -12.881 -10.185 1.00 0.00 C ATOM 0 H THR A 48 3.980 -14.123 -9.877 1.00 0.00 H new ATOM 0 HA THR A 48 5.861 -14.077 -12.136 1.00 0.00 H new ATOM 0 HB THR A 48 7.627 -14.950 -10.606 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.496 -15.729 -8.853 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.163 -12.800 -9.520 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.591 -12.569 -11.189 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.501 -12.239 -9.821 1.00 0.00 H new ATOM 735 N ASN A 49 6.041 -16.676 -12.070 1.00 0.00 N ATOM 736 CA ASN A 49 5.813 -18.102 -12.275 1.00 0.00 C ATOM 737 C ASN A 49 5.655 -18.825 -10.941 1.00 0.00 C ATOM 738 O ASN A 49 4.824 -19.723 -10.805 1.00 0.00 O ATOM 739 CB ASN A 49 6.970 -18.715 -13.067 1.00 0.00 C ATOM 740 CG ASN A 49 6.846 -18.467 -14.557 1.00 0.00 C ATOM 741 OD1 ASN A 49 7.468 -17.553 -15.099 1.00 0.00 O ATOM 742 ND2 ASN A 49 6.040 -19.281 -15.228 1.00 0.00 N ATOM 0 H ASN A 49 6.841 -16.299 -12.579 1.00 0.00 H new ATOM 0 HA ASN A 49 4.890 -18.220 -12.843 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.912 -18.299 -12.709 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.005 -19.789 -12.882 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.917 -19.162 -16.234 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.544 -20.026 -14.738 1.00 0.00 H new ATOM 749 N ASP A 50 6.456 -18.427 -9.960 1.00 0.00 N ATOM 750 CA ASP A 50 6.405 -19.035 -8.636 1.00 0.00 C ATOM 751 C ASP A 50 5.691 -18.121 -7.645 1.00 0.00 C ATOM 752 O ASP A 50 5.630 -16.907 -7.839 1.00 0.00 O ATOM 753 CB ASP A 50 7.817 -19.344 -8.137 1.00 0.00 C ATOM 754 CG ASP A 50 8.386 -20.607 -8.755 1.00 0.00 C ATOM 755 OD1 ASP A 50 7.646 -21.609 -8.846 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.571 -20.592 -9.149 1.00 0.00 O ATOM 0 H ASP A 50 7.149 -17.685 -10.057 1.00 0.00 H new ATOM 0 HA ASP A 50 5.844 -19.966 -8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.472 -18.504 -8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.801 -19.449 -7.052 1.00 0.00 H new ATOM 761 N SER A 51 5.153 -18.712 -6.583 1.00 0.00 N ATOM 762 CA SER A 51 4.439 -17.951 -5.564 1.00 0.00 C ATOM 763 C SER A 51 5.156 -16.638 -5.265 1.00 0.00 C ATOM 764 O SER A 51 6.332 -16.473 -5.590 1.00 0.00 O ATOM 765 CB SER A 51 4.304 -18.776 -4.283 1.00 0.00 C ATOM 766 OG SER A 51 3.296 -19.763 -4.415 1.00 0.00 O ATOM 0 H SER A 51 5.198 -19.715 -6.406 1.00 0.00 H new ATOM 0 HA SER A 51 3.444 -17.722 -5.946 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.256 -19.253 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.066 -18.118 -3.447 1.00 0.00 H new ATOM 0 HG SER A 51 3.231 -20.277 -3.583 1.00 0.00 H new ATOM 772 N ILE A 52 4.440 -15.709 -4.642 1.00 0.00 N ATOM 773 CA ILE A 52 5.007 -14.411 -4.298 1.00 0.00 C ATOM 774 C ILE A 52 6.031 -14.540 -3.175 1.00 0.00 C ATOM 775 O ILE A 52 6.916 -13.697 -3.028 1.00 0.00 O ATOM 776 CB ILE A 52 3.914 -13.415 -3.869 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.075 -14.003 -2.732 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.031 -13.054 -5.054 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.496 -12.957 -1.805 1.00 0.00 C ATOM 0 H ILE A 52 3.466 -15.831 -4.365 1.00 0.00 H new ATOM 0 HA ILE A 52 5.499 -14.033 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 52 4.394 -12.505 -3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.261 -14.590 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.693 -14.689 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.263 -12.349 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.639 -12.598 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.557 -13.955 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.914 -13.445 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.305 -12.385 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.851 -12.285 -2.372 1.00 0.00 H new ATOM 791 N PHE A 53 5.905 -15.601 -2.385 1.00 0.00 N ATOM 792 CA PHE A 53 6.820 -15.842 -1.276 1.00 0.00 C ATOM 793 C PHE A 53 8.269 -15.652 -1.715 1.00 0.00 C ATOM 794 O PHE A 53 9.157 -15.435 -0.889 1.00 0.00 O ATOM 795 CB PHE A 53 6.623 -17.254 -0.721 1.00 0.00 C ATOM 796 CG PHE A 53 5.356 -17.417 0.067 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.252 -16.905 1.351 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.268 -18.084 -0.474 1.00 0.00 C ATOM 799 CE1 PHE A 53 4.086 -17.054 2.079 1.00 0.00 C ATOM 800 CE2 PHE A 53 3.100 -18.234 0.249 1.00 0.00 C ATOM 801 CZ PHE A 53 3.010 -17.720 1.528 1.00 0.00 C ATOM 0 H PHE A 53 5.178 -16.308 -2.492 1.00 0.00 H new ATOM 0 HA PHE A 53 6.599 -15.118 -0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.621 -17.964 -1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.472 -17.508 -0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.091 -16.384 1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.334 -18.491 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.017 -16.650 3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.258 -18.753 -0.186 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.099 -17.839 2.096 1.00 0.00 H new ATOM 811 N LEU A 54 8.501 -15.737 -3.020 1.00 0.00 N ATOM 812 CA LEU A 54 9.842 -15.576 -3.571 1.00 0.00 C ATOM 813 C LEU A 54 10.560 -14.398 -2.921 1.00 0.00 C ATOM 814 O LEU A 54 11.747 -14.477 -2.605 1.00 0.00 O ATOM 815 CB LEU A 54 9.772 -15.373 -5.085 1.00 0.00 C ATOM 816 CG LEU A 54 9.352 -16.592 -5.907 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.791 -16.160 -7.254 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.528 -17.539 -6.096 1.00 0.00 C ATOM 0 H LEU A 54 7.778 -15.917 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 54 10.407 -16.484 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.073 -14.563 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.751 -15.045 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 54 8.569 -17.121 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.497 -17.041 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.921 -15.522 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.552 -15.607 -7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.211 -18.401 -6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.332 -17.021 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.885 -17.875 -5.122 1.00 0.00 H new ATOM 830 N LYS A 55 9.831 -13.304 -2.722 1.00 0.00 N ATOM 831 CA LYS A 55 10.396 -12.110 -2.106 1.00 0.00 C ATOM 832 C LYS A 55 10.427 -12.243 -0.587 1.00 0.00 C ATOM 833 O LYS A 55 9.912 -13.212 -0.028 1.00 0.00 O ATOM 834 CB LYS A 55 9.584 -10.874 -2.503 1.00 0.00 C ATOM 835 CG LYS A 55 9.593 -10.595 -3.996 1.00 0.00 C ATOM 836 CD LYS A 55 9.469 -9.109 -4.286 1.00 0.00 C ATOM 837 CE LYS A 55 9.647 -8.813 -5.768 1.00 0.00 C ATOM 838 NZ LYS A 55 11.079 -8.611 -6.125 1.00 0.00 N ATOM 0 H LYS A 55 8.847 -13.221 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 55 11.419 -11.997 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.554 -11.005 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.980 -10.005 -1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.516 -10.976 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.771 -11.129 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.492 -8.753 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.217 -8.562 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.239 -9.636 -6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.078 -7.922 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.158 -8.412 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.462 -7.809 -5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.618 -9.471 -5.898 1.00 0.00 H new ATOM 852 N LYS A 56 11.033 -11.264 0.076 1.00 0.00 N ATOM 853 CA LYS A 56 11.129 -11.270 1.531 1.00 0.00 C ATOM 854 C LYS A 56 10.086 -10.346 2.149 1.00 0.00 C ATOM 855 O LYS A 56 9.340 -10.744 3.045 1.00 0.00 O ATOM 856 CB LYS A 56 12.531 -10.842 1.972 1.00 0.00 C ATOM 857 CG LYS A 56 13.509 -11.997 2.097 1.00 0.00 C ATOM 858 CD LYS A 56 14.796 -11.566 2.781 1.00 0.00 C ATOM 859 CE LYS A 56 14.612 -11.439 4.285 1.00 0.00 C ATOM 860 NZ LYS A 56 14.641 -12.765 4.962 1.00 0.00 N ATOM 0 H LYS A 56 11.465 -10.456 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 56 10.940 -12.286 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.924 -10.121 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.460 -10.331 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.048 -12.806 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.737 -12.391 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.582 -12.291 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.125 -10.611 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.398 -10.805 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.663 -10.945 4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.512 -12.635 5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.875 -13.362 4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.556 -13.226 4.784 1.00 0.00 H new ATOM 874 N THR A 57 10.037 -9.108 1.665 1.00 0.00 N ATOM 875 CA THR A 57 9.084 -8.128 2.170 1.00 0.00 C ATOM 876 C THR A 57 8.296 -7.490 1.032 1.00 0.00 C ATOM 877 O THR A 57 8.815 -7.306 -0.070 1.00 0.00 O ATOM 878 CB THR A 57 9.791 -7.020 2.973 1.00 0.00 C ATOM 879 OG1 THR A 57 11.021 -7.515 3.515 1.00 0.00 O ATOM 880 CG2 THR A 57 8.901 -6.516 4.100 1.00 0.00 C ATOM 0 H THR A 57 10.646 -8.761 0.924 1.00 0.00 H new ATOM 0 HA THR A 57 8.399 -8.663 2.827 1.00 0.00 H new ATOM 0 HB THR A 57 10.000 -6.191 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.465 -6.804 4.022 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.422 -5.734 4.653 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.979 -6.112 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.664 -7.340 4.773 1.00 0.00 H new ATOM 888 N LEU A 58 7.040 -7.155 1.304 1.00 0.00 N ATOM 889 CA LEU A 58 6.179 -6.536 0.301 1.00 0.00 C ATOM 890 C LEU A 58 5.625 -5.207 0.804 1.00 0.00 C ATOM 891 O LEU A 58 5.651 -4.926 2.003 1.00 0.00 O ATOM 892 CB LEU A 58 5.028 -7.476 -0.062 1.00 0.00 C ATOM 893 CG LEU A 58 5.411 -8.737 -0.839 1.00 0.00 C ATOM 894 CD1 LEU A 58 4.168 -9.518 -1.235 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.231 -8.376 -2.069 1.00 0.00 C ATOM 0 H LEU A 58 6.595 -7.301 2.210 1.00 0.00 H new ATOM 0 HA LEU A 58 6.779 -6.345 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.528 -7.778 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.301 -6.917 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 58 6.021 -9.368 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.460 -10.411 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.620 -9.808 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.532 -8.895 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.495 -9.285 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.646 -7.724 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.140 -7.860 -1.761 1.00 0.00 H new ATOM 907 N TYR A 59 5.122 -4.394 -0.118 1.00 0.00 N ATOM 908 CA TYR A 59 4.561 -3.095 0.232 1.00 0.00 C ATOM 909 C TYR A 59 3.053 -3.073 0.006 1.00 0.00 C ATOM 910 O TYR A 59 2.539 -3.739 -0.894 1.00 0.00 O ATOM 911 CB TYR A 59 5.227 -1.990 -0.591 1.00 0.00 C ATOM 912 CG TYR A 59 6.651 -2.308 -0.991 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.612 -2.606 -0.033 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.034 -2.310 -2.326 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.914 -2.896 -0.394 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.333 -2.600 -2.696 1.00 0.00 C ATOM 917 CZ TYR A 59 9.269 -2.891 -1.727 1.00 0.00 C ATOM 918 OH TYR A 59 10.564 -3.181 -2.090 1.00 0.00 O ATOM 0 H TYR A 59 5.091 -4.612 -1.114 1.00 0.00 H new ATOM 0 HA TYR A 59 4.754 -2.918 1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.637 -1.812 -1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.218 -1.064 -0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.337 -2.611 1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.304 -2.081 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.649 -3.125 0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.614 -2.599 -3.739 1.00 0.00 H new ATOM 0 HH TYR A 59 10.648 -3.136 -3.065 1.00 0.00 H new ATOM 928 N ILE A 60 2.349 -2.303 0.828 1.00 0.00 N ATOM 929 CA ILE A 60 0.900 -2.192 0.718 1.00 0.00 C ATOM 930 C ILE A 60 0.485 -0.783 0.308 1.00 0.00 C ATOM 931 O ILE A 60 0.793 0.201 0.980 1.00 0.00 O ATOM 932 CB ILE A 60 0.205 -2.554 2.044 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.569 -3.980 2.463 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.303 -2.405 1.910 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.149 -5.031 1.460 1.00 0.00 C ATOM 0 H ILE A 60 2.759 -1.746 1.578 1.00 0.00 H new ATOM 0 HA ILE A 60 0.588 -2.898 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 60 0.551 -1.868 2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.647 -4.042 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.101 -4.198 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.780 -2.664 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.545 -1.374 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.666 -3.070 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.439 -6.017 1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.932 -4.997 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.637 -4.838 0.505 1.00 0.00 H new ATOM 947 N PRO A 61 -0.231 -0.682 -0.821 1.00 0.00 N ATOM 948 CA PRO A 61 -0.706 0.602 -1.346 1.00 0.00 C ATOM 949 C PRO A 61 -1.802 1.212 -0.480 1.00 0.00 C ATOM 950 O PRO A 61 -2.883 0.640 -0.336 1.00 0.00 O ATOM 951 CB PRO A 61 -1.255 0.239 -2.728 1.00 0.00 C ATOM 952 CG PRO A 61 -1.625 -1.200 -2.623 1.00 0.00 C ATOM 953 CD PRO A 61 -0.634 -1.814 -1.673 1.00 0.00 C ATOM 0 HA PRO A 61 0.086 1.351 -1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.119 0.852 -2.984 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.508 0.400 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.644 -1.315 -2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.584 -1.686 -3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.082 -2.617 -1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.218 -2.242 -2.202 1.00 0.00 H new ATOM 961 N ILE A 62 -1.517 2.375 0.095 1.00 0.00 N ATOM 962 CA ILE A 62 -2.481 3.063 0.946 1.00 0.00 C ATOM 963 C ILE A 62 -3.374 3.990 0.127 1.00 0.00 C ATOM 964 O ILE A 62 -2.887 4.870 -0.584 1.00 0.00 O ATOM 965 CB ILE A 62 -1.778 3.884 2.043 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.698 3.042 2.727 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.791 4.383 3.062 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.118 3.814 3.741 1.00 0.00 C ATOM 0 H ILE A 62 -0.627 2.861 -0.013 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.093 2.293 1.416 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.301 4.748 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.170 2.193 3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.030 2.636 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.279 4.961 3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.528 5.013 2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.293 3.532 3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.864 3.155 4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.618 4.647 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.539 4.197 4.522 1.00 0.00 H new