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= -0.525 K(o=-0.075,f=-2.9) USER MOD Set 1.2: A 33 TYR OH : rot -6:sc= 0.449 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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.434 USER MOD Single : A 37 MET CE :methyl -134:sc= -0.261 (180deg=-1.59!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 41 LYS NZ :NH3+ -130:sc= -0.198 (180deg=-0.798) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.428 USER MOD Single : A 48 THR OG1 : rot 63:sc= 0.97 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.028) 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 3.153 3.606 -0.195 1.00 0.00 N ATOM 182 CA ARG A 15 3.336 2.180 0.047 1.00 0.00 C ATOM 183 C ARG A 15 3.835 1.929 1.467 1.00 0.00 C ATOM 184 O ARG A 15 4.739 2.613 1.949 1.00 0.00 O ATOM 185 CB ARG A 15 4.324 1.593 -0.963 1.00 0.00 C ATOM 186 CG ARG A 15 3.662 1.062 -2.224 1.00 0.00 C ATOM 187 CD ARG A 15 4.589 1.166 -3.425 1.00 0.00 C ATOM 188 NE ARG A 15 4.948 2.550 -3.721 1.00 0.00 N ATOM 189 CZ ARG A 15 5.532 2.932 -4.851 1.00 0.00 C ATOM 190 NH1 ARG A 15 5.821 2.039 -5.787 1.00 0.00 N ATOM 191 NH2 ARG A 15 5.828 4.211 -5.047 1.00 0.00 N ATOM 0 HA ARG A 15 2.370 1.690 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.048 2.360 -1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.880 0.785 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.374 0.022 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.747 1.621 -2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.494 0.589 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.105 0.723 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 15 4.739 3.262 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.595 1.055 -5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.270 2.336 -6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.607 4.901 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.277 4.503 -5.915 1.00 0.00 H new ATOM 205 N LEU A 16 3.239 0.945 2.133 1.00 0.00 N ATOM 206 CA LEU A 16 3.622 0.604 3.498 1.00 0.00 C ATOM 207 C LEU A 16 4.324 -0.749 3.545 1.00 0.00 C ATOM 208 O LEU A 16 3.869 -1.716 2.935 1.00 0.00 O ATOM 209 CB LEU A 16 2.389 0.583 4.404 1.00 0.00 C ATOM 210 CG LEU A 16 2.597 0.013 5.807 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.629 0.831 6.569 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.279 -0.028 6.567 1.00 0.00 C ATOM 0 H LEU A 16 2.489 0.370 1.749 1.00 0.00 H new ATOM 0 HA LEU A 16 4.316 1.365 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.016 1.603 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.610 0.003 3.910 1.00 0.00 H new ATOM 0 HG LEU A 16 2.971 -1.007 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.763 0.410 7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.579 0.808 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.285 1.862 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.446 -0.437 7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.876 0.981 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.569 -0.658 6.031 1.00 0.00 H new ATOM 224 N GLU A 17 5.433 -0.810 4.275 1.00 0.00 N ATOM 225 CA GLU A 17 6.197 -2.046 4.401 1.00 0.00 C ATOM 226 C GLU A 17 5.480 -3.037 5.313 1.00 0.00 C ATOM 227 O GLU A 17 5.051 -2.688 6.414 1.00 0.00 O ATOM 228 CB GLU A 17 7.596 -1.753 4.948 1.00 0.00 C ATOM 229 CG GLU A 17 8.650 -2.746 4.486 1.00 0.00 C ATOM 230 CD GLU A 17 9.805 -2.866 5.460 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.612 -1.916 5.542 1.00 0.00 O ATOM 232 OE2 GLU A 17 9.903 -3.908 6.140 1.00 0.00 O ATOM 0 H GLU A 17 5.822 -0.019 4.788 1.00 0.00 H new ATOM 0 HA GLU A 17 6.288 -2.490 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.894 -0.750 4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.559 -1.756 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.188 -3.725 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.031 -2.439 3.512 1.00 0.00 H new ATOM 239 N HIS A 18 5.352 -4.276 4.847 1.00 0.00 N ATOM 240 CA HIS A 18 4.687 -5.319 5.620 1.00 0.00 C ATOM 241 C HIS A 18 5.548 -6.576 5.689 1.00 0.00 C ATOM 242 O HIS A 18 5.788 -7.231 4.675 1.00 0.00 O ATOM 243 CB HIS A 18 3.327 -5.650 5.005 1.00 0.00 C ATOM 244 CG HIS A 18 2.562 -6.688 5.766 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.594 -6.377 6.698 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.625 -8.040 5.728 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.097 -7.492 7.202 1.00 0.00 C ATOM 248 NE2 HIS A 18 1.705 -8.516 6.630 1.00 0.00 N ATOM 0 H HIS A 18 5.700 -4.582 3.938 1.00 0.00 H new ATOM 0 HA HIS A 18 4.537 -4.947 6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.731 -4.739 4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.475 -5.997 3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.277 -8.634 5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.325 -7.556 7.954 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.521 -9.500 6.826 1.00 0.00 H new ATOM 257 N GLN A 19 6.009 -6.906 6.891 1.00 0.00 N ATOM 258 CA GLN A 19 6.845 -8.085 7.091 1.00 0.00 C ATOM 259 C GLN A 19 6.141 -9.342 6.591 1.00 0.00 C ATOM 260 O GLN A 19 5.436 -10.013 7.346 1.00 0.00 O ATOM 261 CB GLN A 19 7.200 -8.239 8.571 1.00 0.00 C ATOM 262 CG GLN A 19 8.401 -9.138 8.817 1.00 0.00 C ATOM 263 CD GLN A 19 8.752 -9.253 10.288 1.00 0.00 C ATOM 264 OE1 GLN A 19 8.659 -10.330 10.877 1.00 0.00 O ATOM 265 NE2 GLN A 19 9.157 -8.140 10.889 1.00 0.00 N ATOM 0 H GLN A 19 5.818 -6.375 7.741 1.00 0.00 H new ATOM 0 HA GLN A 19 7.762 -7.951 6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.401 -7.254 8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.339 -8.643 9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.195 -10.131 8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.260 -8.748 8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.219 -7.269 10.362 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.406 -8.156 11.878 1.00 0.00 H new ATOM 274 N LEU A 20 6.336 -9.656 5.315 1.00 0.00 N ATOM 275 CA LEU A 20 5.720 -10.833 4.714 1.00 0.00 C ATOM 276 C LEU A 20 6.164 -12.105 5.428 1.00 0.00 C ATOM 277 O LEU A 20 7.348 -12.438 5.444 1.00 0.00 O ATOM 278 CB LEU A 20 6.077 -10.918 3.229 1.00 0.00 C ATOM 279 CG LEU A 20 5.076 -11.656 2.338 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.837 -10.804 2.108 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.720 -12.034 1.012 1.00 0.00 C ATOM 0 H LEU A 20 6.916 -9.112 4.677 1.00 0.00 H new ATOM 0 HA LEU A 20 4.639 -10.739 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.195 -9.904 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.046 -11.409 3.136 1.00 0.00 H new ATOM 0 HG LEU A 20 4.773 -12.572 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.136 -11.345 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.364 -10.584 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.122 -9.871 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.994 -12.558 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.052 -11.132 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.576 -12.683 1.195 1.00 0.00 H new ATOM 293 N GLU A 21 5.204 -12.813 6.016 1.00 0.00 N ATOM 294 CA GLU A 21 5.498 -14.050 6.731 1.00 0.00 C ATOM 295 C GLU A 21 5.355 -15.258 5.809 1.00 0.00 C ATOM 296 O GLU A 21 4.605 -15.241 4.833 1.00 0.00 O ATOM 297 CB GLU A 21 4.567 -14.201 7.936 1.00 0.00 C ATOM 298 CG GLU A 21 4.687 -13.071 8.944 1.00 0.00 C ATOM 299 CD GLU A 21 4.244 -13.480 10.335 1.00 0.00 C ATOM 300 OE1 GLU A 21 4.394 -14.670 10.680 1.00 0.00 O ATOM 301 OE2 GLU A 21 3.748 -12.608 11.079 1.00 0.00 O ATOM 0 H GLU A 21 4.218 -12.552 6.011 1.00 0.00 H new ATOM 0 HA GLU A 21 6.529 -14.002 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.537 -14.254 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.783 -15.146 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.722 -12.731 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.086 -12.225 8.609 1.00 0.00 H new ATOM 308 N PRO A 22 6.093 -16.333 6.125 1.00 0.00 N ATOM 309 CA PRO A 22 6.067 -17.570 5.339 1.00 0.00 C ATOM 310 C PRO A 22 4.744 -18.316 5.476 1.00 0.00 C ATOM 311 O PRO A 22 4.566 -19.393 4.909 1.00 0.00 O ATOM 312 CB PRO A 22 7.210 -18.394 5.936 1.00 0.00 C ATOM 313 CG PRO A 22 7.356 -17.886 7.329 1.00 0.00 C ATOM 314 CD PRO A 22 7.009 -16.423 7.274 1.00 0.00 C ATOM 0 HA PRO A 22 6.175 -17.377 4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.978 -19.459 5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.131 -18.263 5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.693 -18.419 8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.373 -18.033 7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.532 -16.088 8.195 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.895 -15.805 7.131 1.00 0.00 H new ATOM 322 N GLY A 23 3.817 -17.735 6.232 1.00 0.00 N ATOM 323 CA GLY A 23 2.522 -18.359 6.429 1.00 0.00 C ATOM 324 C GLY A 23 1.373 -17.406 6.167 1.00 0.00 C ATOM 325 O GLY A 23 0.266 -17.604 6.668 1.00 0.00 O ATOM 0 H GLY A 23 3.940 -16.843 6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.433 -19.221 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.454 -18.733 7.451 1.00 0.00 H new ATOM 329 N ASP A 24 1.635 -16.367 5.382 1.00 0.00 N ATOM 330 CA ASP A 24 0.615 -15.378 5.055 1.00 0.00 C ATOM 331 C ASP A 24 0.051 -15.620 3.658 1.00 0.00 C ATOM 332 O ASP A 24 0.563 -16.450 2.905 1.00 0.00 O ATOM 333 CB ASP A 24 1.194 -13.966 5.146 1.00 0.00 C ATOM 334 CG ASP A 24 1.077 -13.381 6.540 1.00 0.00 C ATOM 335 OD1 ASP A 24 0.026 -13.586 7.184 1.00 0.00 O ATOM 336 OD2 ASP A 24 2.036 -12.718 6.988 1.00 0.00 O ATOM 0 H ASP A 24 2.546 -16.188 4.960 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.195 -15.477 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.243 -13.987 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.677 -13.318 4.439 1.00 0.00 H new ATOM 341 N THR A 25 -1.008 -14.892 3.318 1.00 0.00 N ATOM 342 CA THR A 25 -1.643 -15.029 2.013 1.00 0.00 C ATOM 343 C THR A 25 -2.044 -13.670 1.452 1.00 0.00 C ATOM 344 O THR A 25 -2.223 -12.707 2.198 1.00 0.00 O ATOM 345 CB THR A 25 -2.890 -15.930 2.087 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.773 -15.461 3.112 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.499 -17.373 2.369 1.00 0.00 C ATOM 0 H THR A 25 -1.444 -14.201 3.929 1.00 0.00 H new ATOM 0 HA THR A 25 -0.910 -15.490 1.351 1.00 0.00 H new ATOM 0 HB THR A 25 -3.398 -15.889 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.564 -16.038 3.152 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.396 -17.990 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.850 -17.737 1.572 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.970 -17.427 3.321 1.00 0.00 H new ATOM 355 N LEU A 26 -2.185 -13.598 0.133 1.00 0.00 N ATOM 356 CA LEU A 26 -2.566 -12.356 -0.530 1.00 0.00 C ATOM 357 C LEU A 26 -3.941 -11.889 -0.062 1.00 0.00 C ATOM 358 O LEU A 26 -4.136 -10.715 0.250 1.00 0.00 O ATOM 359 CB LEU A 26 -2.569 -12.544 -2.048 1.00 0.00 C ATOM 360 CG LEU A 26 -1.197 -12.660 -2.712 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.318 -13.323 -4.076 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.548 -11.290 -2.839 1.00 0.00 C ATOM 0 H LEU A 26 -2.041 -14.386 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.833 -11.593 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.141 -13.442 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.098 -11.703 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.562 -13.284 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.331 -13.397 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.740 -14.321 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.970 -12.726 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.428 -11.392 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.181 -10.642 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.425 -10.852 -1.848 1.00 0.00 H new ATOM 374 N ALA A 27 -4.890 -12.818 -0.013 1.00 0.00 N ATOM 375 CA ALA A 27 -6.246 -12.502 0.422 1.00 0.00 C ATOM 376 C ALA A 27 -6.243 -11.861 1.805 1.00 0.00 C ATOM 377 O ALA A 27 -7.117 -11.058 2.129 1.00 0.00 O ATOM 378 CB ALA A 27 -7.106 -13.758 0.421 1.00 0.00 C ATOM 0 H ALA A 27 -4.746 -13.795 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.669 -11.784 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.115 -13.508 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.143 -14.173 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.676 -14.494 1.101 1.00 0.00 H new ATOM 384 N GLY A 28 -5.256 -12.223 2.619 1.00 0.00 N ATOM 385 CA GLY A 28 -5.159 -11.674 3.959 1.00 0.00 C ATOM 386 C GLY A 28 -4.819 -10.197 3.956 1.00 0.00 C ATOM 387 O GLY A 28 -5.554 -9.382 4.517 1.00 0.00 O ATOM 0 H GLY A 28 -4.521 -12.887 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.105 -11.825 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.397 -12.218 4.517 1.00 0.00 H new ATOM 391 N LEU A 29 -3.702 -9.849 3.327 1.00 0.00 N ATOM 392 CA LEU A 29 -3.264 -8.460 3.256 1.00 0.00 C ATOM 393 C LEU A 29 -4.310 -7.594 2.561 1.00 0.00 C ATOM 394 O LEU A 29 -4.619 -6.492 3.014 1.00 0.00 O ATOM 395 CB LEU A 29 -1.930 -8.362 2.513 1.00 0.00 C ATOM 396 CG LEU A 29 -0.815 -9.282 3.012 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.381 -9.228 2.074 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.403 -8.902 4.427 1.00 0.00 C ATOM 0 H LEU A 29 -3.083 -10.510 2.858 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.134 -8.094 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.107 -8.577 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.578 -7.332 2.573 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.193 -10.304 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.164 -9.889 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.077 -9.549 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.760 -8.207 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.391 -9.567 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.044 -7.873 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.261 -8.993 5.093 1.00 0.00 H new ATOM 410 N ALA A 30 -4.854 -8.101 1.459 1.00 0.00 N ATOM 411 CA ALA A 30 -5.869 -7.377 0.705 1.00 0.00 C ATOM 412 C ALA A 30 -6.907 -6.758 1.634 1.00 0.00 C ATOM 413 O ALA A 30 -7.064 -5.538 1.683 1.00 0.00 O ATOM 414 CB ALA A 30 -6.540 -8.302 -0.299 1.00 0.00 C ATOM 0 H ALA A 30 -4.608 -9.011 1.069 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.377 -6.568 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.296 -7.748 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.793 -8.691 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.012 -9.131 0.229 1.00 0.00 H new ATOM 420 N LEU A 31 -7.615 -7.608 2.371 1.00 0.00 N ATOM 421 CA LEU A 31 -8.640 -7.144 3.300 1.00 0.00 C ATOM 422 C LEU A 31 -8.012 -6.430 4.492 1.00 0.00 C ATOM 423 O LEU A 31 -8.455 -5.352 4.888 1.00 0.00 O ATOM 424 CB LEU A 31 -9.487 -8.323 3.785 1.00 0.00 C ATOM 425 CG LEU A 31 -10.049 -9.238 2.696 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.228 -10.652 3.228 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.369 -8.693 2.171 1.00 0.00 C ATOM 0 H LEU A 31 -7.498 -8.621 2.343 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.280 -6.436 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.881 -8.926 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.320 -7.931 4.368 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.338 -9.269 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.629 -11.289 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.264 -11.042 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.919 -10.639 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.754 -9.357 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.088 -8.632 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.211 -7.699 1.752 1.00 0.00 H new ATOM 439 N LYS A 32 -6.975 -7.037 5.060 1.00 0.00 N ATOM 440 CA LYS A 32 -6.282 -6.459 6.205 1.00 0.00 C ATOM 441 C LYS A 32 -6.255 -4.937 6.112 1.00 0.00 C ATOM 442 O LYS A 32 -6.450 -4.241 7.109 1.00 0.00 O ATOM 443 CB LYS A 32 -4.854 -7.001 6.290 1.00 0.00 C ATOM 444 CG LYS A 32 -4.170 -6.709 7.615 1.00 0.00 C ATOM 445 CD LYS A 32 -2.674 -6.962 7.538 1.00 0.00 C ATOM 446 CE LYS A 32 -2.360 -8.451 7.530 1.00 0.00 C ATOM 447 NZ LYS A 32 -2.341 -9.021 8.905 1.00 0.00 N ATOM 0 H LYS A 32 -6.596 -7.930 4.745 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.825 -6.741 7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.874 -8.079 6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.262 -6.570 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.350 -5.672 7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.606 -7.333 8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.272 -6.499 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.180 -6.489 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.103 -8.976 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.393 -8.616 7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.124 -10.037 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.614 -8.538 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.272 -8.887 9.349 1.00 0.00 H new ATOM 461 N TYR A 33 -6.012 -4.426 4.910 1.00 0.00 N ATOM 462 CA TYR A 33 -5.958 -2.986 4.688 1.00 0.00 C ATOM 463 C TYR A 33 -7.240 -2.489 4.026 1.00 0.00 C ATOM 464 O TYR A 33 -8.033 -1.777 4.640 1.00 0.00 O ATOM 465 CB TYR A 33 -4.750 -2.628 3.820 1.00 0.00 C ATOM 466 CG TYR A 33 -3.422 -2.886 4.495 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.842 -4.148 4.472 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.747 -1.867 5.156 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.629 -4.388 5.088 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.533 -2.097 5.774 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.978 -3.360 5.737 1.00 0.00 C ATOM 472 OH TYR A 33 0.231 -3.594 6.351 1.00 0.00 O ATOM 0 H TYR A 33 -5.849 -4.988 4.074 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.858 -2.497 5.657 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.795 -3.202 2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.810 -1.575 3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.348 -4.955 3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.179 -0.878 5.187 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.193 -5.376 5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.021 -1.293 6.283 1.00 0.00 H new ATOM 0 HH TYR A 33 0.437 -4.551 6.313 1.00 0.00 H new ATOM 482 N GLY A 34 -7.435 -2.871 2.767 1.00 0.00 N ATOM 483 CA GLY A 34 -8.621 -2.456 2.041 1.00 0.00 C ATOM 484 C GLY A 34 -8.397 -2.410 0.543 1.00 0.00 C ATOM 485 O GLY A 34 -8.922 -1.534 -0.144 1.00 0.00 O ATOM 0 H GLY A 34 -6.793 -3.460 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.438 -3.143 2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.930 -1.471 2.389 1.00 0.00 H new ATOM 489 N VAL A 35 -7.613 -3.355 0.034 1.00 0.00 N ATOM 490 CA VAL A 35 -7.320 -3.419 -1.393 1.00 0.00 C ATOM 491 C VAL A 35 -7.507 -4.834 -1.930 1.00 0.00 C ATOM 492 O VAL A 35 -7.691 -5.781 -1.165 1.00 0.00 O ATOM 493 CB VAL A 35 -5.883 -2.954 -1.692 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.671 -1.528 -1.207 1.00 0.00 C ATOM 495 CG2 VAL A 35 -4.874 -3.898 -1.055 1.00 0.00 C ATOM 0 H VAL A 35 -7.169 -4.087 0.589 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.022 -2.749 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.732 -2.971 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.650 -1.217 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.370 -0.863 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.841 -1.480 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.864 -3.554 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.023 -3.915 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.012 -4.902 -1.456 1.00 0.00 H new ATOM 505 N THR A 36 -7.458 -4.971 -3.251 1.00 0.00 N ATOM 506 CA THR A 36 -7.622 -6.270 -3.892 1.00 0.00 C ATOM 507 C THR A 36 -6.271 -6.910 -4.190 1.00 0.00 C ATOM 508 O THR A 36 -5.349 -6.245 -4.662 1.00 0.00 O ATOM 509 CB THR A 36 -8.423 -6.153 -5.202 1.00 0.00 C ATOM 510 OG1 THR A 36 -7.536 -5.893 -6.296 1.00 0.00 O ATOM 511 CG2 THR A 36 -9.457 -5.042 -5.107 1.00 0.00 C ATOM 0 H THR A 36 -7.306 -4.198 -3.899 1.00 0.00 H new ATOM 0 HA THR A 36 -8.173 -6.900 -3.194 1.00 0.00 H new ATOM 0 HB THR A 36 -8.942 -7.097 -5.371 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.052 -5.821 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.010 -4.979 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.148 -5.257 -4.292 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.955 -4.093 -4.917 1.00 0.00 H new ATOM 519 N MET A 37 -6.161 -8.205 -3.913 1.00 0.00 N ATOM 520 CA MET A 37 -4.922 -8.936 -4.154 1.00 0.00 C ATOM 521 C MET A 37 -4.292 -8.514 -5.478 1.00 0.00 C ATOM 522 O MET A 37 -3.078 -8.330 -5.566 1.00 0.00 O ATOM 523 CB MET A 37 -5.186 -10.443 -4.159 1.00 0.00 C ATOM 524 CG MET A 37 -5.811 -10.954 -2.871 1.00 0.00 C ATOM 525 SD MET A 37 -6.862 -12.396 -3.134 1.00 0.00 S ATOM 526 CE MET A 37 -5.653 -13.603 -3.671 1.00 0.00 C ATOM 0 H MET A 37 -6.915 -8.770 -3.522 1.00 0.00 H new ATOM 0 HA MET A 37 -4.227 -8.699 -3.348 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.844 -10.686 -4.994 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.246 -10.968 -4.331 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.021 -11.209 -2.164 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.400 -10.158 -2.417 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.030 -14.131 -4.547 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.722 -13.097 -3.926 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.470 -14.317 -2.868 1.00 0.00 H new ATOM 536 N GLU A 38 -5.124 -8.364 -6.504 1.00 0.00 N ATOM 537 CA GLU A 38 -4.646 -7.966 -7.822 1.00 0.00 C ATOM 538 C GLU A 38 -3.963 -6.602 -7.764 1.00 0.00 C ATOM 539 O GLU A 38 -2.847 -6.435 -8.255 1.00 0.00 O ATOM 540 CB GLU A 38 -5.806 -7.925 -8.819 1.00 0.00 C ATOM 541 CG GLU A 38 -5.363 -7.989 -10.271 1.00 0.00 C ATOM 542 CD GLU A 38 -5.114 -9.408 -10.744 1.00 0.00 C ATOM 543 OE1 GLU A 38 -4.017 -9.940 -10.471 1.00 0.00 O ATOM 544 OE2 GLU A 38 -6.015 -9.987 -11.386 1.00 0.00 O ATOM 0 H GLU A 38 -6.132 -8.512 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.917 -8.705 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.478 -8.759 -8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.377 -7.010 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.125 -7.529 -10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.452 -7.404 -10.395 1.00 0.00 H new ATOM 551 N GLN A 39 -4.643 -5.632 -7.162 1.00 0.00 N ATOM 552 CA GLN A 39 -4.103 -4.283 -7.041 1.00 0.00 C ATOM 553 C GLN A 39 -2.673 -4.314 -6.510 1.00 0.00 C ATOM 554 O GLN A 39 -1.752 -3.808 -7.151 1.00 0.00 O ATOM 555 CB GLN A 39 -4.983 -3.439 -6.117 1.00 0.00 C ATOM 556 CG GLN A 39 -6.195 -2.840 -6.813 1.00 0.00 C ATOM 557 CD GLN A 39 -5.901 -1.492 -7.440 1.00 0.00 C ATOM 558 OE1 GLN A 39 -4.767 -1.210 -7.831 1.00 0.00 O ATOM 559 NE2 GLN A 39 -6.923 -0.650 -7.541 1.00 0.00 N ATOM 0 H GLN A 39 -5.568 -5.755 -6.751 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.094 -3.833 -8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.321 -4.057 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.383 -2.634 -5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.543 -3.527 -7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.006 -2.732 -6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.846 -0.925 -7.204 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.785 0.272 -7.956 1.00 0.00 H new ATOM 568 N ILE A 40 -2.496 -4.912 -5.337 1.00 0.00 N ATOM 569 CA ILE A 40 -1.178 -5.010 -4.721 1.00 0.00 C ATOM 570 C ILE A 40 -0.157 -5.585 -5.697 1.00 0.00 C ATOM 571 O ILE A 40 0.867 -4.963 -5.979 1.00 0.00 O ATOM 572 CB ILE A 40 -1.212 -5.886 -3.455 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.216 -5.324 -2.446 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.175 -5.976 -2.836 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.492 -6.254 -1.286 1.00 0.00 C ATOM 0 H ILE A 40 -3.248 -5.336 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.883 -3.998 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.530 -6.890 -3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.839 -4.377 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.153 -5.109 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.135 -6.598 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.866 -6.417 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.519 -4.977 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.212 -5.791 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.899 -7.193 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.565 -6.450 -0.748 1.00 0.00 H new ATOM 587 N LYS A 41 -0.444 -6.777 -6.210 1.00 0.00 N ATOM 588 CA LYS A 41 0.447 -7.437 -7.157 1.00 0.00 C ATOM 589 C LYS A 41 0.752 -6.526 -8.342 1.00 0.00 C ATOM 590 O LYS A 41 1.895 -6.116 -8.544 1.00 0.00 O ATOM 591 CB LYS A 41 -0.178 -8.743 -7.651 1.00 0.00 C ATOM 592 CG LYS A 41 -0.453 -9.744 -6.542 1.00 0.00 C ATOM 593 CD LYS A 41 -1.620 -10.654 -6.889 1.00 0.00 C ATOM 594 CE LYS A 41 -1.156 -11.895 -7.636 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.821 -11.595 -9.055 1.00 0.00 N ATOM 0 H LYS A 41 -1.287 -7.306 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 41 1.382 -7.661 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.112 -8.517 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.487 -9.199 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.438 -10.346 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.668 -9.212 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.136 -10.950 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.339 -10.108 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.282 -12.314 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.937 -12.654 -7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.302 -12.276 -9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.134 -10.631 -9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.207 -11.668 -9.192 1.00 0.00 H new ATOM 609 N ARG A 42 -0.278 -6.213 -9.122 1.00 0.00 N ATOM 610 CA ARG A 42 -0.119 -5.351 -10.287 1.00 0.00 C ATOM 611 C ARG A 42 0.696 -4.109 -9.938 1.00 0.00 C ATOM 612 O ARG A 42 1.542 -3.671 -10.716 1.00 0.00 O ATOM 613 CB ARG A 42 -1.488 -4.939 -10.833 1.00 0.00 C ATOM 614 CG ARG A 42 -1.422 -4.258 -12.190 1.00 0.00 C ATOM 615 CD ARG A 42 -2.811 -4.007 -12.756 1.00 0.00 C ATOM 616 NE ARG A 42 -2.763 -3.301 -14.033 1.00 0.00 N ATOM 617 CZ ARG A 42 -2.386 -3.869 -15.173 1.00 0.00 C ATOM 618 NH1 ARG A 42 -2.027 -5.145 -15.195 1.00 0.00 N ATOM 619 NH2 ARG A 42 -2.369 -3.160 -16.295 1.00 0.00 N ATOM 0 H ARG A 42 -1.231 -6.543 -8.968 1.00 0.00 H new ATOM 0 HA ARG A 42 0.417 -5.912 -11.053 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.120 -5.824 -10.910 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.966 -4.266 -10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.889 -3.312 -12.098 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.853 -4.878 -12.882 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.326 -4.959 -12.887 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.394 -3.425 -12.042 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.034 -2.318 -14.051 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.040 -5.693 -14.335 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.738 -5.578 -16.072 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.646 -2.178 -16.282 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.079 -3.597 -17.170 1.00 0.00 H new ATOM 633 N ALA A 43 0.434 -3.548 -8.762 1.00 0.00 N ATOM 634 CA ALA A 43 1.144 -2.358 -8.309 1.00 0.00 C ATOM 635 C ALA A 43 2.641 -2.625 -8.185 1.00 0.00 C ATOM 636 O ALA A 43 3.459 -1.726 -8.373 1.00 0.00 O ATOM 637 CB ALA A 43 0.580 -1.881 -6.978 1.00 0.00 C ATOM 0 H ALA A 43 -0.264 -3.898 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 43 1.001 -1.575 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.120 -0.992 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.477 -1.641 -7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.693 -2.668 -6.232 1.00 0.00 H new ATOM 643 N ASN A 44 2.991 -3.868 -7.868 1.00 0.00 N ATOM 644 CA ASN A 44 4.390 -4.253 -7.719 1.00 0.00 C ATOM 645 C ASN A 44 4.743 -5.397 -8.664 1.00 0.00 C ATOM 646 O ASN A 44 5.681 -6.154 -8.414 1.00 0.00 O ATOM 647 CB ASN A 44 4.675 -4.663 -6.273 1.00 0.00 C ATOM 648 CG ASN A 44 4.173 -3.641 -5.271 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.271 -2.435 -5.497 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.632 -4.121 -4.157 1.00 0.00 N ATOM 0 H ASN A 44 2.326 -4.625 -7.710 1.00 0.00 H new ATOM 0 HA ASN A 44 5.008 -3.392 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.205 -5.626 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.749 -4.799 -6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.277 -3.482 -3.446 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.572 -5.129 -4.012 1.00 0.00 H new ATOM 657 N ARG A 45 3.985 -5.517 -9.749 1.00 0.00 N ATOM 658 CA ARG A 45 4.218 -6.569 -10.731 1.00 0.00 C ATOM 659 C ARG A 45 4.733 -7.837 -10.057 1.00 0.00 C ATOM 660 O ARG A 45 5.676 -8.468 -10.537 1.00 0.00 O ATOM 661 CB ARG A 45 5.218 -6.097 -11.788 1.00 0.00 C ATOM 662 CG ARG A 45 5.143 -6.879 -13.089 1.00 0.00 C ATOM 663 CD ARG A 45 6.382 -6.661 -13.943 1.00 0.00 C ATOM 664 NE ARG A 45 6.315 -7.394 -15.204 1.00 0.00 N ATOM 665 CZ ARG A 45 7.286 -7.389 -16.110 1.00 0.00 C ATOM 666 NH1 ARG A 45 8.393 -6.692 -15.895 1.00 0.00 N ATOM 667 NH2 ARG A 45 7.151 -8.082 -17.233 1.00 0.00 N ATOM 0 H ARG A 45 3.204 -4.899 -9.970 1.00 0.00 H new ATOM 0 HA ARG A 45 3.268 -6.796 -11.216 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.042 -5.042 -11.997 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.227 -6.177 -11.383 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.033 -7.941 -12.870 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.257 -6.575 -13.647 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.498 -5.597 -14.148 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.265 -6.976 -13.387 1.00 0.00 H new ATOM 0 HE ARG A 45 5.476 -7.940 -15.400 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.500 -6.158 -15.032 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.138 -6.690 -16.592 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.301 -8.620 -17.401 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.898 -8.077 -17.928 1.00 0.00 H new ATOM 681 N LEU A 46 4.110 -8.204 -8.943 1.00 0.00 N ATOM 682 CA LEU A 46 4.506 -9.397 -8.203 1.00 0.00 C ATOM 683 C LEU A 46 4.112 -10.663 -8.958 1.00 0.00 C ATOM 684 O LEU A 46 4.721 -11.718 -8.781 1.00 0.00 O ATOM 685 CB LEU A 46 3.862 -9.397 -6.815 1.00 0.00 C ATOM 686 CG LEU A 46 4.638 -8.670 -5.716 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.824 -8.618 -4.432 1.00 0.00 C ATOM 688 CD2 LEU A 46 5.979 -9.347 -5.472 1.00 0.00 C ATOM 0 H LEU A 46 3.329 -7.693 -8.532 1.00 0.00 H new ATOM 0 HA LEU A 46 5.591 -9.383 -8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.874 -8.944 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.715 -10.431 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 46 4.824 -7.648 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.393 -8.097 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.890 -8.087 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.606 -9.632 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.517 -8.816 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.815 -10.380 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.567 -9.331 -6.390 1.00 0.00 H new ATOM 700 N TYR A 47 3.091 -10.549 -9.801 1.00 0.00 N ATOM 701 CA TYR A 47 2.616 -11.684 -10.583 1.00 0.00 C ATOM 702 C TYR A 47 3.763 -12.336 -11.348 1.00 0.00 C ATOM 703 O TYR A 47 4.240 -11.803 -12.351 1.00 0.00 O ATOM 704 CB TYR A 47 1.526 -11.237 -11.558 1.00 0.00 C ATOM 705 CG TYR A 47 2.009 -10.247 -12.594 1.00 0.00 C ATOM 706 CD1 TYR A 47 1.981 -8.880 -12.344 1.00 0.00 C ATOM 707 CD2 TYR A 47 2.493 -10.678 -13.823 1.00 0.00 C ATOM 708 CE1 TYR A 47 2.421 -7.972 -13.287 1.00 0.00 C ATOM 709 CE2 TYR A 47 2.937 -9.777 -14.772 1.00 0.00 C ATOM 710 CZ TYR A 47 2.898 -8.425 -14.500 1.00 0.00 C ATOM 711 OH TYR A 47 3.337 -7.525 -15.443 1.00 0.00 O ATOM 0 H TYR A 47 2.577 -9.682 -9.960 1.00 0.00 H new ATOM 0 HA TYR A 47 2.199 -12.419 -9.894 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.123 -12.113 -12.065 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.707 -10.790 -10.994 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.609 -8.522 -11.396 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.523 -11.735 -14.040 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.392 -6.913 -13.076 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.312 -10.129 -15.721 1.00 0.00 H new ATOM 0 HH TYR A 47 3.641 -8.008 -16.239 1.00 0.00 H new ATOM 721 N THR A 48 4.202 -13.496 -10.869 1.00 0.00 N ATOM 722 CA THR A 48 5.293 -14.223 -11.506 1.00 0.00 C ATOM 723 C THR A 48 4.970 -15.708 -11.622 1.00 0.00 C ATOM 724 O THR A 48 4.101 -16.221 -10.917 1.00 0.00 O ATOM 725 CB THR A 48 6.610 -14.055 -10.726 1.00 0.00 C ATOM 726 OG1 THR A 48 6.435 -14.481 -9.370 1.00 0.00 O ATOM 727 CG2 THR A 48 7.073 -12.606 -10.752 1.00 0.00 C ATOM 0 H THR A 48 3.818 -13.952 -10.041 1.00 0.00 H new ATOM 0 HA THR A 48 5.414 -13.801 -12.504 1.00 0.00 H new ATOM 0 HB THR A 48 7.371 -14.672 -11.204 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.212 -15.435 -9.353 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.005 -12.512 -10.195 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.234 -12.294 -11.784 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.312 -11.973 -10.296 1.00 0.00 H new ATOM 735 N ASN A 49 5.675 -16.395 -12.514 1.00 0.00 N ATOM 736 CA ASN A 49 5.463 -17.823 -12.722 1.00 0.00 C ATOM 737 C ASN A 49 5.447 -18.569 -11.392 1.00 0.00 C ATOM 738 O ASN A 49 4.714 -19.544 -11.224 1.00 0.00 O ATOM 739 CB ASN A 49 6.556 -18.395 -13.628 1.00 0.00 C ATOM 740 CG ASN A 49 6.372 -17.995 -15.079 1.00 0.00 C ATOM 741 OD1 ASN A 49 5.342 -18.284 -15.689 1.00 0.00 O ATOM 742 ND2 ASN A 49 7.373 -17.326 -15.639 1.00 0.00 N ATOM 0 H ASN A 49 6.399 -15.986 -13.105 1.00 0.00 H new ATOM 0 HA ASN A 49 4.495 -17.956 -13.204 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.530 -18.051 -13.280 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.556 -19.482 -13.551 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.307 -17.030 -16.613 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.208 -17.108 -15.095 1.00 0.00 H new ATOM 749 N ASP A 50 6.260 -18.105 -10.449 1.00 0.00 N ATOM 750 CA ASP A 50 6.338 -18.727 -9.132 1.00 0.00 C ATOM 751 C ASP A 50 5.600 -17.891 -8.091 1.00 0.00 C ATOM 752 O ASP A 50 5.413 -16.687 -8.267 1.00 0.00 O ATOM 753 CB ASP A 50 7.799 -18.909 -8.717 1.00 0.00 C ATOM 754 CG ASP A 50 8.397 -20.195 -9.252 1.00 0.00 C ATOM 755 OD1 ASP A 50 8.769 -20.225 -10.444 1.00 0.00 O ATOM 756 OD2 ASP A 50 8.493 -21.172 -8.479 1.00 0.00 O ATOM 0 H ASP A 50 6.874 -17.300 -10.572 1.00 0.00 H new ATOM 0 HA ASP A 50 5.860 -19.705 -9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.384 -18.063 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.868 -18.905 -7.629 1.00 0.00 H new ATOM 761 N SER A 51 5.183 -18.537 -7.008 1.00 0.00 N ATOM 762 CA SER A 51 4.461 -17.854 -5.941 1.00 0.00 C ATOM 763 C SER A 51 5.115 -16.515 -5.614 1.00 0.00 C ATOM 764 O SER A 51 6.225 -16.228 -6.062 1.00 0.00 O ATOM 765 CB SER A 51 4.412 -18.730 -4.687 1.00 0.00 C ATOM 766 OG SER A 51 3.706 -19.934 -4.933 1.00 0.00 O ATOM 0 H SER A 51 5.333 -19.533 -6.846 1.00 0.00 H new ATOM 0 HA SER A 51 3.444 -17.668 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.426 -18.960 -4.360 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.932 -18.183 -3.876 1.00 0.00 H new ATOM 0 HG SER A 51 3.690 -20.477 -4.117 1.00 0.00 H new ATOM 772 N ILE A 52 4.418 -15.700 -4.829 1.00 0.00 N ATOM 773 CA ILE A 52 4.930 -14.392 -4.441 1.00 0.00 C ATOM 774 C ILE A 52 5.952 -14.513 -3.315 1.00 0.00 C ATOM 775 O ILE A 52 6.833 -13.665 -3.168 1.00 0.00 O ATOM 776 CB ILE A 52 3.795 -13.454 -3.988 1.00 0.00 C ATOM 777 CG1 ILE A 52 2.949 -14.127 -2.905 1.00 0.00 C ATOM 778 CG2 ILE A 52 2.929 -13.060 -5.176 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.331 -13.152 -1.928 1.00 0.00 C ATOM 0 H ILE A 52 3.498 -15.923 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 52 5.411 -13.968 -5.323 1.00 0.00 H new ATOM 0 HB ILE A 52 4.236 -12.550 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.156 -14.704 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.571 -14.834 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.131 -12.397 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.541 -12.546 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.494 -13.955 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.746 -13.699 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.119 -12.592 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.682 -12.461 -2.465 1.00 0.00 H new ATOM 791 N PHE A 53 5.830 -15.574 -2.525 1.00 0.00 N ATOM 792 CA PHE A 53 6.744 -15.808 -1.413 1.00 0.00 C ATOM 793 C PHE A 53 8.193 -15.609 -1.849 1.00 0.00 C ATOM 794 O PHE A 53 9.075 -15.373 -1.022 1.00 0.00 O ATOM 795 CB PHE A 53 6.556 -17.222 -0.859 1.00 0.00 C ATOM 796 CG PHE A 53 5.333 -17.371 0.000 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.313 -16.873 1.293 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.204 -18.011 -0.484 1.00 0.00 C ATOM 799 CE1 PHE A 53 4.190 -17.008 2.086 1.00 0.00 C ATOM 800 CE2 PHE A 53 3.077 -18.149 0.304 1.00 0.00 C ATOM 801 CZ PHE A 53 3.070 -17.648 1.591 1.00 0.00 C ATOM 0 H PHE A 53 5.107 -16.286 -2.634 1.00 0.00 H new ATOM 0 HA PHE A 53 6.516 -15.085 -0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.494 -17.924 -1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.435 -17.495 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.186 -16.373 1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.204 -18.407 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.187 -16.614 3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.202 -18.648 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.191 -17.756 2.209 1.00 0.00 H new ATOM 811 N LEU A 54 8.431 -15.706 -3.152 1.00 0.00 N ATOM 812 CA LEU A 54 9.773 -15.538 -3.699 1.00 0.00 C ATOM 813 C LEU A 54 10.482 -14.355 -3.047 1.00 0.00 C ATOM 814 O LEU A 54 11.691 -14.394 -2.814 1.00 0.00 O ATOM 815 CB LEU A 54 9.705 -15.334 -5.214 1.00 0.00 C ATOM 816 CG LEU A 54 9.181 -16.518 -6.027 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.734 -16.062 -7.407 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.245 -17.600 -6.141 1.00 0.00 C ATOM 0 H LEU A 54 7.713 -15.900 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 54 10.342 -16.443 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.071 -14.471 -5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.704 -15.086 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 54 8.319 -16.937 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.364 -16.918 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.939 -15.323 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.578 -15.617 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.854 -18.435 -6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.126 -17.193 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.518 -17.948 -5.145 1.00 0.00 H new ATOM 830 N LYS A 55 9.723 -13.305 -2.752 1.00 0.00 N ATOM 831 CA LYS A 55 10.277 -12.112 -2.124 1.00 0.00 C ATOM 832 C LYS A 55 10.289 -12.253 -0.605 1.00 0.00 C ATOM 833 O LYS A 55 9.718 -13.195 -0.054 1.00 0.00 O ATOM 834 CB LYS A 55 9.467 -10.877 -2.525 1.00 0.00 C ATOM 835 CG LYS A 55 9.316 -10.710 -4.027 1.00 0.00 C ATOM 836 CD LYS A 55 10.595 -10.191 -4.662 1.00 0.00 C ATOM 837 CE LYS A 55 10.717 -8.682 -4.518 1.00 0.00 C ATOM 838 NZ LYS A 55 12.070 -8.195 -4.904 1.00 0.00 N ATOM 0 H LYS A 55 8.721 -13.256 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 55 11.304 -11.994 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.477 -10.940 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.948 -9.989 -2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.049 -11.667 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.499 -10.020 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.455 -10.673 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.613 -10.459 -5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.965 -8.196 -5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.510 -8.398 -3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.112 -7.162 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.786 -8.639 -4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.258 -8.443 -5.896 1.00 0.00 H new ATOM 852 N LYS A 56 10.942 -11.311 0.067 1.00 0.00 N ATOM 853 CA LYS A 56 11.027 -11.328 1.523 1.00 0.00 C ATOM 854 C LYS A 56 9.956 -10.435 2.140 1.00 0.00 C ATOM 855 O LYS A 56 9.203 -10.865 3.016 1.00 0.00 O ATOM 856 CB LYS A 56 12.414 -10.870 1.979 1.00 0.00 C ATOM 857 CG LYS A 56 13.447 -11.983 1.995 1.00 0.00 C ATOM 858 CD LYS A 56 14.618 -11.642 2.902 1.00 0.00 C ATOM 859 CE LYS A 56 15.694 -12.716 2.849 1.00 0.00 C ATOM 860 NZ LYS A 56 16.609 -12.528 1.689 1.00 0.00 N ATOM 0 H LYS A 56 11.421 -10.525 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 56 10.861 -12.351 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.760 -10.074 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.336 -10.444 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.981 -12.909 2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.809 -12.160 0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.044 -10.684 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.265 -11.529 3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.271 -12.698 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.224 -13.698 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.328 -13.280 1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.062 -12.571 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.077 -11.602 1.762 1.00 0.00 H new ATOM 874 N THR A 57 9.891 -9.190 1.679 1.00 0.00 N ATOM 875 CA THR A 57 8.912 -8.237 2.186 1.00 0.00 C ATOM 876 C THR A 57 8.132 -7.591 1.046 1.00 0.00 C ATOM 877 O THR A 57 8.650 -7.425 -0.059 1.00 0.00 O ATOM 878 CB THR A 57 9.584 -7.133 3.023 1.00 0.00 C ATOM 879 OG1 THR A 57 10.813 -7.617 3.576 1.00 0.00 O ATOM 880 CG2 THR A 57 8.666 -6.668 4.143 1.00 0.00 C ATOM 0 H THR A 57 10.505 -8.818 0.955 1.00 0.00 H new ATOM 0 HA THR A 57 8.225 -8.797 2.821 1.00 0.00 H new ATOM 0 HB THR A 57 9.789 -6.286 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.235 -6.908 4.105 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.163 -5.888 4.720 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.744 -6.273 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.433 -7.510 4.795 1.00 0.00 H new ATOM 888 N LEU A 58 6.884 -7.228 1.321 1.00 0.00 N ATOM 889 CA LEU A 58 6.032 -6.599 0.318 1.00 0.00 C ATOM 890 C LEU A 58 5.487 -5.267 0.824 1.00 0.00 C ATOM 891 O LEU A 58 5.475 -5.007 2.027 1.00 0.00 O ATOM 892 CB LEU A 58 4.875 -7.528 -0.053 1.00 0.00 C ATOM 893 CG LEU A 58 5.243 -8.765 -0.872 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.993 -9.428 -1.430 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.200 -8.395 -1.996 1.00 0.00 C ATOM 0 H LEU A 58 6.440 -7.358 2.230 1.00 0.00 H new ATOM 0 HA LEU A 58 6.637 -6.410 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.390 -7.857 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.138 -6.952 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 58 5.743 -9.476 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.275 -10.307 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.343 -9.729 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.464 -8.724 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.451 -9.288 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.726 -7.665 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.109 -7.967 -1.574 1.00 0.00 H new ATOM 907 N TYR A 59 5.036 -4.428 -0.102 1.00 0.00 N ATOM 908 CA TYR A 59 4.490 -3.123 0.250 1.00 0.00 C ATOM 909 C TYR A 59 2.984 -3.079 0.008 1.00 0.00 C ATOM 910 O TYR A 59 2.471 -3.733 -0.900 1.00 0.00 O ATOM 911 CB TYR A 59 5.180 -2.023 -0.558 1.00 0.00 C ATOM 912 CG TYR A 59 6.601 -2.360 -0.948 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.521 -2.785 0.003 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.024 -2.254 -2.267 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.821 -3.093 -0.349 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.322 -2.561 -2.628 1.00 0.00 C ATOM 917 CZ TYR A 59 9.217 -2.980 -1.666 1.00 0.00 C ATOM 918 OH TYR A 59 10.510 -3.287 -2.021 1.00 0.00 O ATOM 0 H TYR A 59 5.038 -4.629 -1.102 1.00 0.00 H new ATOM 0 HA TYR A 59 4.674 -2.955 1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.601 -1.829 -1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.181 -1.102 0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.215 -2.876 1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.326 -1.926 -3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.524 -3.421 0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.634 -2.473 -3.658 1.00 0.00 H new ATOM 0 HH TYR A 59 10.624 -3.156 -2.985 1.00 0.00 H new ATOM 928 N ILE A 60 2.282 -2.303 0.826 1.00 0.00 N ATOM 929 CA ILE A 60 0.836 -2.171 0.701 1.00 0.00 C ATOM 930 C ILE A 60 0.447 -0.757 0.283 1.00 0.00 C ATOM 931 O ILE A 60 0.760 0.225 0.957 1.00 0.00 O ATOM 932 CB ILE A 60 0.122 -2.519 2.020 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.479 -3.940 2.459 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.384 -2.369 1.863 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.068 -5.001 1.463 1.00 0.00 C ATOM 0 H ILE A 60 2.691 -1.756 1.583 1.00 0.00 H new ATOM 0 HA ILE A 60 0.521 -2.875 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 60 0.458 -1.826 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.555 -4.002 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.001 -4.147 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.875 -2.619 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.621 -1.340 1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.737 -3.041 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.352 -5.983 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.012 -4.966 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.567 -4.819 0.511 1.00 0.00 H new ATOM 947 N PRO A 61 -0.254 -0.648 -0.856 1.00 0.00 N ATOM 948 CA PRO A 61 -0.704 0.641 -1.388 1.00 0.00 C ATOM 949 C PRO A 61 -1.802 1.269 -0.537 1.00 0.00 C ATOM 950 O PRO A 61 -2.896 0.717 -0.412 1.00 0.00 O ATOM 951 CB PRO A 61 -1.242 0.284 -2.776 1.00 0.00 C ATOM 952 CG PRO A 61 -1.633 -1.150 -2.673 1.00 0.00 C ATOM 953 CD PRO A 61 -0.663 -1.776 -1.710 1.00 0.00 C ATOM 0 HA PRO A 61 0.099 1.378 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.094 0.909 -3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.484 0.434 -3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.658 -1.250 -2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.586 -1.638 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.130 -2.571 -1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.189 -2.218 -2.228 1.00 0.00 H new ATOM 961 N ILE A 62 -1.504 2.425 0.046 1.00 0.00 N ATOM 962 CA ILE A 62 -2.467 3.128 0.884 1.00 0.00 C ATOM 963 C ILE A 62 -3.348 4.054 0.052 1.00 0.00 C ATOM 964 O ILE A 62 -2.889 5.081 -0.450 1.00 0.00 O ATOM 965 CB ILE A 62 -1.765 3.953 1.979 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.764 3.083 2.741 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.790 4.550 2.932 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.124 3.866 3.682 1.00 0.00 C ATOM 0 H ILE A 62 -0.603 2.895 -0.047 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.088 2.367 1.356 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.220 4.769 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.309 2.330 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.139 2.550 2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.278 5.130 3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.467 5.200 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.360 3.749 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.808 3.185 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.696 4.601 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.492 4.378 4.422 1.00 0.00 H new