USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 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= -3.07! C(o=-3.1!,f=-4.3!) USER MOD Set 1.2: A 33 TYR OH : rot 30:sc= 0 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+ -171:sc= 0 (180deg=-0.0387) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0453 USER MOD Single : A 37 MET CE :methyl 149:sc= 0 (180deg=-0.268) USER MOD Single : A 39 GLN : amide:sc= -0.405 K(o=-0.41,f=-2.7!) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc=-0.00402 (180deg=-0.705) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 49 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.72) 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+ -153:sc=-0.00175 (180deg=-0.375) 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 3.147 3.640 -0.126 1.00 0.00 N ATOM 182 CA ARG A 15 3.352 2.215 0.106 1.00 0.00 C ATOM 183 C ARG A 15 3.823 1.960 1.535 1.00 0.00 C ATOM 184 O ARG A 15 4.644 2.705 2.072 1.00 0.00 O ATOM 185 CB ARG A 15 4.375 1.658 -0.886 1.00 0.00 C ATOM 186 CG ARG A 15 3.753 1.136 -2.171 1.00 0.00 C ATOM 187 CD ARG A 15 4.702 1.288 -3.351 1.00 0.00 C ATOM 188 NE ARG A 15 4.724 2.655 -3.862 1.00 0.00 N ATOM 189 CZ ARG A 15 3.689 3.233 -4.462 1.00 0.00 C ATOM 190 NH1 ARG A 15 2.555 2.564 -4.625 1.00 0.00 N ATOM 191 NH2 ARG A 15 3.786 4.481 -4.901 1.00 0.00 N ATOM 0 HA ARG A 15 2.399 1.707 -0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.094 2.440 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.931 0.852 -0.408 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.489 0.086 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.828 1.676 -2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.708 0.998 -3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.402 0.608 -4.148 1.00 0.00 H new ATOM 0 HE ARG A 15 5.581 3.197 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.476 1.604 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.762 3.010 -5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.656 4.999 -4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.990 4.923 -5.361 1.00 0.00 H new ATOM 205 N LEU A 16 3.297 0.903 2.145 1.00 0.00 N ATOM 206 CA LEU A 16 3.663 0.549 3.512 1.00 0.00 C ATOM 207 C LEU A 16 4.372 -0.801 3.554 1.00 0.00 C ATOM 208 O LEU A 16 3.918 -1.769 2.947 1.00 0.00 O ATOM 209 CB LEU A 16 2.418 0.512 4.401 1.00 0.00 C ATOM 210 CG LEU A 16 2.593 -0.138 5.773 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.745 0.507 6.527 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.305 -0.039 6.578 1.00 0.00 C ATOM 0 H LEU A 16 2.616 0.277 1.715 1.00 0.00 H new ATOM 0 HA LEU A 16 4.348 1.310 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.070 1.535 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.630 -0.020 3.867 1.00 0.00 H new ATOM 0 HG LEU A 16 2.827 -1.192 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.854 0.031 7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.666 0.384 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.542 1.569 6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.448 -0.507 7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.041 1.010 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.503 -0.549 6.045 1.00 0.00 H new ATOM 224 N GLU A 17 5.487 -0.856 4.276 1.00 0.00 N ATOM 225 CA GLU A 17 6.257 -2.088 4.398 1.00 0.00 C ATOM 226 C GLU A 17 5.551 -3.083 5.315 1.00 0.00 C ATOM 227 O GLU A 17 5.207 -2.759 6.453 1.00 0.00 O ATOM 228 CB GLU A 17 7.658 -1.789 4.934 1.00 0.00 C ATOM 229 CG GLU A 17 8.713 -2.778 4.468 1.00 0.00 C ATOM 230 CD GLU A 17 9.854 -2.924 5.456 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.774 -2.080 5.427 1.00 0.00 O ATOM 232 OE2 GLU A 17 9.827 -3.881 6.257 1.00 0.00 O ATOM 0 H GLU A 17 5.877 -0.062 4.785 1.00 0.00 H new ATOM 0 HA GLU A 17 6.342 -2.532 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.950 -0.786 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.628 -1.789 6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.248 -3.751 4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.110 -2.454 3.506 1.00 0.00 H new ATOM 239 N HIS A 18 5.338 -4.294 4.812 1.00 0.00 N ATOM 240 CA HIS A 18 4.674 -5.337 5.586 1.00 0.00 C ATOM 241 C HIS A 18 5.534 -6.596 5.653 1.00 0.00 C ATOM 242 O HIS A 18 5.755 -7.261 4.641 1.00 0.00 O ATOM 243 CB HIS A 18 3.313 -5.668 4.972 1.00 0.00 C ATOM 244 CG HIS A 18 2.568 -6.738 5.708 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.651 -6.470 6.703 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.607 -8.086 5.588 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.160 -7.606 7.164 1.00 0.00 C ATOM 248 NE2 HIS A 18 1.723 -8.602 6.504 1.00 0.00 N ATOM 0 H HIS A 18 5.615 -4.578 3.872 1.00 0.00 H new ATOM 0 HA HIS A 18 4.527 -4.964 6.600 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.705 -4.764 4.949 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.457 -5.982 3.938 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.219 -8.650 4.900 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.423 -7.704 7.948 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.532 -9.593 6.651 1.00 0.00 H new ATOM 257 N GLN A 19 6.015 -6.915 6.850 1.00 0.00 N ATOM 258 CA GLN A 19 6.852 -8.092 7.047 1.00 0.00 C ATOM 259 C GLN A 19 6.131 -9.356 6.588 1.00 0.00 C ATOM 260 O GLN A 19 5.429 -10.001 7.368 1.00 0.00 O ATOM 261 CB GLN A 19 7.247 -8.223 8.519 1.00 0.00 C ATOM 262 CG GLN A 19 8.565 -7.545 8.858 1.00 0.00 C ATOM 263 CD GLN A 19 8.689 -7.213 10.332 1.00 0.00 C ATOM 264 OE1 GLN A 19 9.316 -7.949 11.095 1.00 0.00 O ATOM 265 NE2 GLN A 19 8.090 -6.101 10.741 1.00 0.00 N ATOM 0 H GLN A 19 5.840 -6.375 7.697 1.00 0.00 H new ATOM 0 HA GLN A 19 7.753 -7.970 6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.458 -7.795 9.138 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.315 -9.280 8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.389 -8.195 8.565 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.659 -6.629 8.274 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.581 -5.521 10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.139 -5.827 11.722 1.00 0.00 H new ATOM 274 N LEU A 20 6.308 -9.704 5.318 1.00 0.00 N ATOM 275 CA LEU A 20 5.673 -10.890 4.755 1.00 0.00 C ATOM 276 C LEU A 20 6.056 -12.139 5.543 1.00 0.00 C ATOM 277 O LEU A 20 7.237 -12.444 5.705 1.00 0.00 O ATOM 278 CB LEU A 20 6.072 -11.058 3.287 1.00 0.00 C ATOM 279 CG LEU A 20 5.042 -11.738 2.385 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.866 -10.810 2.124 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.684 -12.171 1.075 1.00 0.00 C ATOM 0 H LEU A 20 6.886 -9.182 4.659 1.00 0.00 H new ATOM 0 HA LEU A 20 4.593 -10.759 4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.291 -10.073 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.997 -11.633 3.246 1.00 0.00 H new ATOM 0 HG LEU A 20 4.670 -12.627 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.143 -11.311 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.391 -10.550 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.220 -9.903 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.936 -12.653 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.084 -11.298 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.492 -12.873 1.280 1.00 0.00 H new ATOM 293 N GLU A 21 5.049 -12.857 6.029 1.00 0.00 N ATOM 294 CA GLU A 21 5.281 -14.074 6.799 1.00 0.00 C ATOM 295 C GLU A 21 5.254 -15.303 5.896 1.00 0.00 C ATOM 296 O GLU A 21 4.727 -15.275 4.783 1.00 0.00 O ATOM 297 CB GLU A 21 4.230 -14.214 7.902 1.00 0.00 C ATOM 298 CG GLU A 21 4.627 -13.549 9.209 1.00 0.00 C ATOM 299 CD GLU A 21 3.609 -13.772 10.311 1.00 0.00 C ATOM 300 OE1 GLU A 21 3.377 -14.943 10.677 1.00 0.00 O ATOM 301 OE2 GLU A 21 3.044 -12.775 10.806 1.00 0.00 O ATOM 0 H GLU A 21 4.065 -12.618 5.904 1.00 0.00 H new ATOM 0 HA GLU A 21 6.268 -14.002 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.291 -13.782 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.046 -15.273 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.594 -13.936 9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.750 -12.479 9.045 1.00 0.00 H new ATOM 308 N PRO A 22 5.834 -16.409 6.384 1.00 0.00 N ATOM 309 CA PRO A 22 5.890 -17.670 5.638 1.00 0.00 C ATOM 310 C PRO A 22 4.520 -18.328 5.509 1.00 0.00 C ATOM 311 O PRO A 22 4.302 -19.162 4.632 1.00 0.00 O ATOM 312 CB PRO A 22 6.824 -18.541 6.482 1.00 0.00 C ATOM 313 CG PRO A 22 6.709 -17.992 7.863 1.00 0.00 C ATOM 314 CD PRO A 22 6.481 -16.514 7.703 1.00 0.00 C ATOM 0 HA PRO A 22 6.233 -17.523 4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.527 -19.589 6.447 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.850 -18.488 6.119 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.884 -18.458 8.401 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.615 -18.187 8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.846 -16.117 8.495 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.417 -15.957 7.737 1.00 0.00 H new ATOM 322 N GLY A 23 3.600 -17.946 6.390 1.00 0.00 N ATOM 323 CA GLY A 23 2.263 -18.509 6.356 1.00 0.00 C ATOM 324 C GLY A 23 1.203 -17.468 6.055 1.00 0.00 C ATOM 325 O GLY A 23 0.072 -17.568 6.532 1.00 0.00 O ATOM 0 H GLY A 23 3.757 -17.257 7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.222 -19.294 5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.045 -18.978 7.315 1.00 0.00 H new ATOM 329 N ASP A 24 1.568 -16.467 5.263 1.00 0.00 N ATOM 330 CA ASP A 24 0.640 -15.402 4.899 1.00 0.00 C ATOM 331 C ASP A 24 0.099 -15.612 3.488 1.00 0.00 C ATOM 332 O ASP A 24 0.683 -16.346 2.690 1.00 0.00 O ATOM 333 CB ASP A 24 1.329 -14.040 4.997 1.00 0.00 C ATOM 334 CG ASP A 24 1.191 -13.419 6.373 1.00 0.00 C ATOM 335 OD1 ASP A 24 0.892 -14.161 7.332 1.00 0.00 O ATOM 336 OD2 ASP A 24 1.381 -12.191 6.491 1.00 0.00 O ATOM 0 H ASP A 24 2.500 -16.370 4.860 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.196 -15.428 5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.386 -14.153 4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.903 -13.366 4.253 1.00 0.00 H new ATOM 341 N THR A 25 -1.021 -14.963 3.186 1.00 0.00 N ATOM 342 CA THR A 25 -1.642 -15.079 1.873 1.00 0.00 C ATOM 343 C THR A 25 -2.105 -13.720 1.361 1.00 0.00 C ATOM 344 O THR A 25 -2.583 -12.885 2.130 1.00 0.00 O ATOM 345 CB THR A 25 -2.846 -16.040 1.905 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.817 -15.579 2.851 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.404 -17.449 2.271 1.00 0.00 C ATOM 0 H THR A 25 -1.517 -14.351 3.834 1.00 0.00 H new ATOM 0 HA THR A 25 -0.884 -15.479 1.199 1.00 0.00 H new ATOM 0 HB THR A 25 -3.291 -16.062 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.579 -16.195 2.864 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.271 -18.110 2.287 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.687 -17.809 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.937 -17.439 3.256 1.00 0.00 H new ATOM 355 N LEU A 26 -1.961 -13.504 0.058 1.00 0.00 N ATOM 356 CA LEU A 26 -2.365 -12.245 -0.558 1.00 0.00 C ATOM 357 C LEU A 26 -3.751 -11.824 -0.078 1.00 0.00 C ATOM 358 O LEU A 26 -3.948 -10.694 0.365 1.00 0.00 O ATOM 359 CB LEU A 26 -2.358 -12.375 -2.082 1.00 0.00 C ATOM 360 CG LEU A 26 -1.031 -12.064 -2.776 1.00 0.00 C ATOM 361 CD1 LEU A 26 -0.907 -12.857 -4.068 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.909 -10.572 -3.049 1.00 0.00 C ATOM 0 H LEU A 26 -1.568 -14.184 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.650 -11.478 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.651 -13.392 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.121 -11.711 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.217 -12.359 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.043 -12.623 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.949 -13.923 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.726 -12.593 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.041 -10.369 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.728 -10.252 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.952 -10.025 -2.107 1.00 0.00 H new ATOM 374 N ALA A 27 -4.707 -12.743 -0.169 1.00 0.00 N ATOM 375 CA ALA A 27 -6.073 -12.469 0.260 1.00 0.00 C ATOM 376 C ALA A 27 -6.094 -11.796 1.628 1.00 0.00 C ATOM 377 O ALA A 27 -6.875 -10.875 1.865 1.00 0.00 O ATOM 378 CB ALA A 27 -6.885 -13.756 0.290 1.00 0.00 C ATOM 0 H ALA A 27 -4.561 -13.683 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.523 -11.785 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.903 -13.537 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.907 -14.196 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.428 -14.459 0.987 1.00 0.00 H new ATOM 384 N GLY A 28 -5.232 -12.262 2.526 1.00 0.00 N ATOM 385 CA GLY A 28 -5.169 -11.693 3.859 1.00 0.00 C ATOM 386 C GLY A 28 -4.823 -10.217 3.844 1.00 0.00 C ATOM 387 O GLY A 28 -5.592 -9.386 4.331 1.00 0.00 O ATOM 0 H GLY A 28 -4.576 -13.024 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.129 -11.833 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.425 -12.231 4.446 1.00 0.00 H new ATOM 391 N LEU A 29 -3.663 -9.889 3.287 1.00 0.00 N ATOM 392 CA LEU A 29 -3.215 -8.502 3.212 1.00 0.00 C ATOM 393 C LEU A 29 -4.256 -7.631 2.516 1.00 0.00 C ATOM 394 O LEU A 29 -4.625 -6.569 3.017 1.00 0.00 O ATOM 395 CB LEU A 29 -1.882 -8.416 2.468 1.00 0.00 C ATOM 396 CG LEU A 29 -0.753 -9.294 3.009 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.393 -9.366 2.011 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.262 -8.765 4.349 1.00 0.00 C ATOM 0 H LEU A 29 -3.015 -10.564 2.881 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.081 -8.133 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.053 -8.681 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.547 -7.379 2.482 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.142 -10.301 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.187 -9.995 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.033 -9.791 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.781 -8.364 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.541 -9.402 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.109 -7.748 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.085 -8.766 5.064 1.00 0.00 H new ATOM 410 N ALA A 30 -4.727 -8.089 1.361 1.00 0.00 N ATOM 411 CA ALA A 30 -5.729 -7.353 0.599 1.00 0.00 C ATOM 412 C ALA A 30 -6.777 -6.738 1.520 1.00 0.00 C ATOM 413 O ALA A 30 -6.897 -5.515 1.612 1.00 0.00 O ATOM 414 CB ALA A 30 -6.391 -8.266 -0.421 1.00 0.00 C ATOM 0 H ALA A 30 -4.431 -8.966 0.932 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.226 -6.542 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.137 -7.704 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.637 -8.653 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.875 -9.096 0.094 1.00 0.00 H new ATOM 420 N LEU A 31 -7.533 -7.591 2.201 1.00 0.00 N ATOM 421 CA LEU A 31 -8.573 -7.131 3.116 1.00 0.00 C ATOM 422 C LEU A 31 -7.962 -6.449 4.335 1.00 0.00 C ATOM 423 O LEU A 31 -8.406 -5.377 4.748 1.00 0.00 O ATOM 424 CB LEU A 31 -9.446 -8.306 3.559 1.00 0.00 C ATOM 425 CG LEU A 31 -9.979 -9.205 2.442 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.169 -10.627 2.947 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.286 -8.653 1.892 1.00 0.00 C ATOM 0 H LEU A 31 -7.446 -8.605 2.138 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.192 -6.405 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.869 -8.921 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.295 -7.912 4.117 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.247 -9.223 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.549 -11.252 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.213 -11.021 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.881 -10.628 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.651 -9.305 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.026 -8.605 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.119 -7.653 1.492 1.00 0.00 H new ATOM 439 N LYS A 32 -6.939 -7.075 4.907 1.00 0.00 N ATOM 440 CA LYS A 32 -6.263 -6.527 6.077 1.00 0.00 C ATOM 441 C LYS A 32 -6.230 -5.003 6.023 1.00 0.00 C ATOM 442 O LYS A 32 -6.339 -4.333 7.050 1.00 0.00 O ATOM 443 CB LYS A 32 -4.837 -7.076 6.171 1.00 0.00 C ATOM 444 CG LYS A 32 -4.083 -6.602 7.401 1.00 0.00 C ATOM 445 CD LYS A 32 -2.601 -6.921 7.305 1.00 0.00 C ATOM 446 CE LYS A 32 -2.333 -8.399 7.540 1.00 0.00 C ATOM 447 NZ LYS A 32 -2.450 -8.762 8.980 1.00 0.00 N ATOM 0 H LYS A 32 -6.560 -7.963 4.579 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.822 -6.829 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.876 -8.165 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.283 -6.781 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.218 -5.527 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.501 -7.075 8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.229 -6.635 6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.052 -6.330 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.037 -8.993 6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.334 -8.648 7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.114 -9.736 9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.873 -8.111 9.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.445 -8.693 9.276 1.00 0.00 H new ATOM 461 N TYR A 33 -6.080 -4.462 4.819 1.00 0.00 N ATOM 462 CA TYR A 33 -6.032 -3.017 4.631 1.00 0.00 C ATOM 463 C TYR A 33 -7.330 -2.504 4.016 1.00 0.00 C ATOM 464 O TYR A 33 -7.882 -1.495 4.454 1.00 0.00 O ATOM 465 CB TYR A 33 -4.847 -2.636 3.742 1.00 0.00 C ATOM 466 CG TYR A 33 -3.504 -2.805 4.416 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.854 -4.033 4.415 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.886 -1.737 5.053 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.627 -4.192 5.030 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.659 -1.886 5.670 1.00 0.00 C ATOM 471 CZ TYR A 33 -1.034 -3.116 5.656 1.00 0.00 C ATOM 472 OH TYR A 33 0.189 -3.270 6.269 1.00 0.00 O ATOM 0 H TYR A 33 -5.990 -5.002 3.959 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.907 -2.553 5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.870 -3.246 2.839 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.958 -1.598 3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.316 -4.878 3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.373 -0.773 5.066 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.135 -5.153 5.020 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.192 -1.045 6.160 1.00 0.00 H new ATOM 0 HH TYR A 33 0.702 -3.965 5.806 1.00 0.00 H new ATOM 482 N GLY A 34 -7.813 -3.207 2.996 1.00 0.00 N ATOM 483 CA GLY A 34 -9.043 -2.809 2.337 1.00 0.00 C ATOM 484 C GLY A 34 -8.965 -2.955 0.830 1.00 0.00 C ATOM 485 O GLY A 34 -9.983 -2.896 0.140 1.00 0.00 O ATOM 0 H GLY A 34 -7.374 -4.045 2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.867 -3.414 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.267 -1.772 2.588 1.00 0.00 H new ATOM 489 N VAL A 35 -7.754 -3.143 0.316 1.00 0.00 N ATOM 490 CA VAL A 35 -7.547 -3.296 -1.119 1.00 0.00 C ATOM 491 C VAL A 35 -7.669 -4.757 -1.539 1.00 0.00 C ATOM 492 O VAL A 35 -7.836 -5.644 -0.701 1.00 0.00 O ATOM 493 CB VAL A 35 -6.167 -2.764 -1.547 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.978 -1.329 -1.078 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.061 -3.659 -1.009 1.00 0.00 C ATOM 0 H VAL A 35 -6.901 -3.193 0.873 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.323 -2.712 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.115 -2.775 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.997 -0.971 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.751 -0.698 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.050 -1.289 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.093 -3.268 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.109 -3.682 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.188 -4.669 -1.400 1.00 0.00 H new ATOM 505 N THR A 36 -7.584 -5.001 -2.843 1.00 0.00 N ATOM 506 CA THR A 36 -7.686 -6.354 -3.375 1.00 0.00 C ATOM 507 C THR A 36 -6.307 -6.931 -3.676 1.00 0.00 C ATOM 508 O THR A 36 -5.338 -6.192 -3.842 1.00 0.00 O ATOM 509 CB THR A 36 -8.536 -6.390 -4.659 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.720 -7.745 -5.086 1.00 0.00 O ATOM 511 CG2 THR A 36 -7.874 -5.588 -5.769 1.00 0.00 C ATOM 0 H THR A 36 -7.445 -4.279 -3.550 1.00 0.00 H new ATOM 0 HA THR A 36 -8.172 -6.959 -2.610 1.00 0.00 H new ATOM 0 HB THR A 36 -9.506 -5.944 -4.440 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.263 -7.760 -5.902 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.493 -5.628 -6.666 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.762 -4.551 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.892 -6.009 -5.986 1.00 0.00 H new ATOM 519 N MET A 37 -6.228 -8.256 -3.744 1.00 0.00 N ATOM 520 CA MET A 37 -4.967 -8.932 -4.027 1.00 0.00 C ATOM 521 C MET A 37 -4.383 -8.460 -5.355 1.00 0.00 C ATOM 522 O MET A 37 -3.186 -8.189 -5.454 1.00 0.00 O ATOM 523 CB MET A 37 -5.172 -10.448 -4.058 1.00 0.00 C ATOM 524 CG MET A 37 -5.851 -10.995 -2.812 1.00 0.00 C ATOM 525 SD MET A 37 -6.811 -12.485 -3.142 1.00 0.00 S ATOM 526 CE MET A 37 -5.593 -13.492 -3.985 1.00 0.00 C ATOM 0 H MET A 37 -7.021 -8.882 -3.607 1.00 0.00 H new ATOM 0 HA MET A 37 -4.264 -8.683 -3.232 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.770 -10.708 -4.931 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.204 -10.935 -4.178 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.095 -11.214 -2.058 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.506 -10.230 -2.395 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.784 -14.545 -3.777 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.657 -13.317 -5.059 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.596 -13.228 -3.633 1.00 0.00 H new ATOM 536 N GLU A 38 -5.235 -8.363 -6.370 1.00 0.00 N ATOM 537 CA GLU A 38 -4.801 -7.924 -7.691 1.00 0.00 C ATOM 538 C GLU A 38 -4.071 -6.586 -7.608 1.00 0.00 C ATOM 539 O GLU A 38 -2.931 -6.461 -8.053 1.00 0.00 O ATOM 540 CB GLU A 38 -6.000 -7.805 -8.634 1.00 0.00 C ATOM 541 CG GLU A 38 -5.628 -7.875 -10.105 1.00 0.00 C ATOM 542 CD GLU A 38 -6.841 -7.854 -11.015 1.00 0.00 C ATOM 543 OE1 GLU A 38 -7.357 -6.752 -11.292 1.00 0.00 O ATOM 544 OE2 GLU A 38 -7.273 -8.942 -11.451 1.00 0.00 O ATOM 0 H GLU A 38 -6.229 -8.582 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.111 -8.671 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.709 -8.602 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.510 -6.861 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.979 -7.035 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.056 -8.785 -10.289 1.00 0.00 H new ATOM 551 N GLN A 39 -4.738 -5.590 -7.034 1.00 0.00 N ATOM 552 CA GLN A 39 -4.154 -4.262 -6.893 1.00 0.00 C ATOM 553 C GLN A 39 -2.708 -4.350 -6.416 1.00 0.00 C ATOM 554 O GLN A 39 -1.789 -3.908 -7.105 1.00 0.00 O ATOM 555 CB GLN A 39 -4.976 -3.421 -5.915 1.00 0.00 C ATOM 556 CG GLN A 39 -6.198 -2.774 -6.546 1.00 0.00 C ATOM 557 CD GLN A 39 -6.735 -1.617 -5.727 1.00 0.00 C ATOM 558 OE1 GLN A 39 -6.378 -1.449 -4.560 1.00 0.00 O ATOM 559 NE2 GLN A 39 -7.597 -0.810 -6.335 1.00 0.00 N ATOM 0 H GLN A 39 -5.683 -5.678 -6.659 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.165 -3.783 -7.872 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.297 -4.053 -5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.340 -2.642 -5.494 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.942 -2.419 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.980 -3.524 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.865 -0.986 -7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.991 -0.014 -5.834 1.00 0.00 H new ATOM 568 N ILE A 40 -2.515 -4.924 -5.233 1.00 0.00 N ATOM 569 CA ILE A 40 -1.181 -5.071 -4.664 1.00 0.00 C ATOM 570 C ILE A 40 -0.210 -5.654 -5.685 1.00 0.00 C ATOM 571 O ILE A 40 0.869 -5.107 -5.915 1.00 0.00 O ATOM 572 CB ILE A 40 -1.198 -5.972 -3.415 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.097 -5.367 -2.335 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.215 -6.171 -2.887 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.522 -6.361 -1.276 1.00 0.00 C ATOM 0 H ILE A 40 -3.265 -5.295 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.848 -4.074 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.602 -6.946 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.571 -4.541 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.986 -4.948 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.187 -6.810 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.828 -6.641 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.644 -5.205 -2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.157 -5.863 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.076 -7.175 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.639 -6.762 -0.778 1.00 0.00 H new ATOM 587 N LYS A 41 -0.600 -6.767 -6.297 1.00 0.00 N ATOM 588 CA LYS A 41 0.234 -7.424 -7.296 1.00 0.00 C ATOM 589 C LYS A 41 0.568 -6.470 -8.438 1.00 0.00 C ATOM 590 O LYS A 41 1.717 -6.061 -8.602 1.00 0.00 O ATOM 591 CB LYS A 41 -0.474 -8.665 -7.845 1.00 0.00 C ATOM 592 CG LYS A 41 -0.754 -9.722 -6.791 1.00 0.00 C ATOM 593 CD LYS A 41 -1.948 -10.583 -7.167 1.00 0.00 C ATOM 594 CE LYS A 41 -1.527 -11.793 -7.987 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.176 -11.420 -9.385 1.00 0.00 N ATOM 0 H LYS A 41 -1.489 -7.233 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 41 1.164 -7.727 -6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.416 -8.363 -8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.138 -9.103 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.126 -10.353 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.940 -9.240 -5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.458 -10.915 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.662 -9.988 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.671 -12.273 -7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.336 -12.524 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.291 -12.248 -10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.803 -10.656 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.189 -11.096 -9.420 1.00 0.00 H new ATOM 609 N ARG A 42 -0.444 -6.118 -9.225 1.00 0.00 N ATOM 610 CA ARG A 42 -0.257 -5.212 -10.352 1.00 0.00 C ATOM 611 C ARG A 42 0.514 -3.967 -9.925 1.00 0.00 C ATOM 612 O ARG A 42 1.266 -3.390 -10.711 1.00 0.00 O ATOM 613 CB ARG A 42 -1.610 -4.810 -10.940 1.00 0.00 C ATOM 614 CG ARG A 42 -2.127 -5.776 -11.994 1.00 0.00 C ATOM 615 CD ARG A 42 -3.226 -5.146 -12.836 1.00 0.00 C ATOM 616 NE ARG A 42 -2.736 -4.014 -13.617 1.00 0.00 N ATOM 617 CZ ARG A 42 -3.516 -3.031 -14.055 1.00 0.00 C ATOM 618 NH1 ARG A 42 -4.815 -3.042 -13.790 1.00 0.00 N ATOM 619 NH2 ARG A 42 -2.996 -2.034 -14.760 1.00 0.00 N ATOM 0 H ARG A 42 -1.402 -6.447 -9.103 1.00 0.00 H new ATOM 0 HA ARG A 42 0.322 -5.734 -11.114 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.341 -4.740 -10.134 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.525 -3.817 -11.380 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.305 -6.086 -12.639 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.508 -6.675 -11.510 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.643 -5.896 -13.508 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.036 -4.815 -12.186 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.741 -3.975 -13.839 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.219 -3.806 -13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.411 -2.286 -14.128 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.997 -2.022 -14.966 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.595 -1.280 -15.096 1.00 0.00 H new ATOM 633 N ALA A 43 0.322 -3.557 -8.675 1.00 0.00 N ATOM 634 CA ALA A 43 1.000 -2.381 -8.144 1.00 0.00 C ATOM 635 C ALA A 43 2.504 -2.614 -8.042 1.00 0.00 C ATOM 636 O ALA A 43 3.296 -1.684 -8.184 1.00 0.00 O ATOM 637 CB ALA A 43 0.428 -2.011 -6.783 1.00 0.00 C ATOM 0 H ALA A 43 -0.298 -4.022 -8.012 1.00 0.00 H new ATOM 0 HA ALA A 43 0.832 -1.553 -8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.944 -1.131 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.636 -1.794 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.566 -2.843 -6.092 1.00 0.00 H new ATOM 643 N ASN A 44 2.889 -3.862 -7.793 1.00 0.00 N ATOM 644 CA ASN A 44 4.298 -4.216 -7.671 1.00 0.00 C ATOM 645 C ASN A 44 4.660 -5.347 -8.629 1.00 0.00 C ATOM 646 O ASN A 44 5.648 -6.053 -8.427 1.00 0.00 O ATOM 647 CB ASN A 44 4.618 -4.629 -6.233 1.00 0.00 C ATOM 648 CG ASN A 44 4.131 -3.613 -5.217 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.195 -2.406 -5.450 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.640 -4.099 -4.083 1.00 0.00 N ATOM 0 H ASN A 44 2.245 -4.644 -7.672 1.00 0.00 H new ATOM 0 HA ASN A 44 4.891 -3.339 -7.931 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.159 -5.595 -6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.695 -4.758 -6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.297 -3.464 -3.362 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.606 -5.107 -3.933 1.00 0.00 H new ATOM 657 N ARG A 45 3.853 -5.512 -9.672 1.00 0.00 N ATOM 658 CA ARG A 45 4.088 -6.557 -10.661 1.00 0.00 C ATOM 659 C ARG A 45 4.695 -7.796 -10.009 1.00 0.00 C ATOM 660 O ARG A 45 5.664 -8.365 -10.514 1.00 0.00 O ATOM 661 CB ARG A 45 5.012 -6.044 -11.767 1.00 0.00 C ATOM 662 CG ARG A 45 4.435 -4.876 -12.549 1.00 0.00 C ATOM 663 CD ARG A 45 4.805 -3.544 -11.915 1.00 0.00 C ATOM 664 NE ARG A 45 6.081 -3.037 -12.412 1.00 0.00 N ATOM 665 CZ ARG A 45 6.281 -2.654 -13.668 1.00 0.00 C ATOM 666 NH1 ARG A 45 5.294 -2.719 -14.549 1.00 0.00 N ATOM 667 NH2 ARG A 45 7.472 -2.203 -14.043 1.00 0.00 N ATOM 0 H ARG A 45 3.031 -4.936 -9.854 1.00 0.00 H new ATOM 0 HA ARG A 45 3.128 -6.831 -11.098 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.961 -5.741 -11.325 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.228 -6.860 -12.456 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.802 -4.907 -13.575 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.350 -4.969 -12.596 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.021 -2.815 -12.119 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.858 -3.660 -10.832 1.00 0.00 H new ATOM 0 HE ARG A 45 6.862 -2.973 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.377 -3.064 -14.264 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.450 -2.424 -15.513 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.234 -2.151 -13.367 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.625 -1.909 -15.008 1.00 0.00 H new ATOM 681 N LEU A 46 4.120 -8.209 -8.886 1.00 0.00 N ATOM 682 CA LEU A 46 4.604 -9.381 -8.164 1.00 0.00 C ATOM 683 C LEU A 46 4.309 -10.660 -8.941 1.00 0.00 C ATOM 684 O LEU A 46 4.850 -11.723 -8.635 1.00 0.00 O ATOM 685 CB LEU A 46 3.961 -9.453 -6.778 1.00 0.00 C ATOM 686 CG LEU A 46 4.717 -8.749 -5.650 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.863 -8.689 -4.392 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.035 -9.456 -5.369 1.00 0.00 C ATOM 0 H LEU A 46 3.318 -7.750 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 46 5.684 -9.287 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.961 -9.024 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.842 -10.502 -6.509 1.00 0.00 H new ATOM 0 HG LEU A 46 4.935 -7.729 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.417 -8.185 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.946 -8.138 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.614 -9.701 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.559 -8.942 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.839 -10.487 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.652 -9.447 -6.268 1.00 0.00 H new ATOM 700 N TYR A 47 3.450 -10.549 -9.948 1.00 0.00 N ATOM 701 CA TYR A 47 3.083 -11.696 -10.770 1.00 0.00 C ATOM 702 C TYR A 47 4.325 -12.395 -11.316 1.00 0.00 C ATOM 703 O TYR A 47 4.986 -11.891 -12.225 1.00 0.00 O ATOM 704 CB TYR A 47 2.182 -11.256 -11.924 1.00 0.00 C ATOM 705 CG TYR A 47 2.844 -10.280 -12.871 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.815 -8.913 -12.623 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.497 -10.725 -14.014 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.418 -8.018 -13.485 1.00 0.00 C ATOM 709 CE2 TYR A 47 4.104 -9.837 -14.881 1.00 0.00 C ATOM 710 CZ TYR A 47 4.062 -8.485 -14.613 1.00 0.00 C ATOM 711 OH TYR A 47 4.664 -7.597 -15.475 1.00 0.00 O ATOM 0 H TYR A 47 2.995 -9.676 -10.215 1.00 0.00 H new ATOM 0 HA TYR A 47 2.538 -12.401 -10.142 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.867 -12.136 -12.484 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.280 -10.799 -11.516 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.312 -8.544 -11.741 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.531 -11.783 -14.228 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.386 -6.959 -13.278 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.609 -10.200 -15.764 1.00 0.00 H new ATOM 0 HH TYR A 47 5.073 -8.088 -16.218 1.00 0.00 H new ATOM 721 N THR A 48 4.636 -13.559 -10.756 1.00 0.00 N ATOM 722 CA THR A 48 5.797 -14.328 -11.185 1.00 0.00 C ATOM 723 C THR A 48 5.446 -15.801 -11.362 1.00 0.00 C ATOM 724 O THR A 48 4.449 -16.280 -10.825 1.00 0.00 O ATOM 725 CB THR A 48 6.956 -14.206 -10.177 1.00 0.00 C ATOM 726 OG1 THR A 48 6.513 -14.596 -8.872 1.00 0.00 O ATOM 727 CG2 THR A 48 7.486 -12.781 -10.133 1.00 0.00 C ATOM 0 H THR A 48 4.099 -13.990 -10.003 1.00 0.00 H new ATOM 0 HA THR A 48 6.113 -13.915 -12.143 1.00 0.00 H new ATOM 0 HB THR A 48 7.761 -14.867 -10.500 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.562 -15.571 -8.788 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.303 -12.719 -9.415 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.849 -12.497 -11.121 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.686 -12.104 -9.832 1.00 0.00 H new ATOM 735 N ASN A 49 6.274 -16.515 -12.119 1.00 0.00 N ATOM 736 CA ASN A 49 6.050 -17.934 -12.367 1.00 0.00 C ATOM 737 C ASN A 49 5.846 -18.690 -11.057 1.00 0.00 C ATOM 738 O ASN A 49 5.009 -19.588 -10.971 1.00 0.00 O ATOM 739 CB ASN A 49 7.232 -18.532 -13.133 1.00 0.00 C ATOM 740 CG ASN A 49 8.382 -18.910 -12.220 1.00 0.00 C ATOM 741 OD1 ASN A 49 9.050 -18.044 -11.653 1.00 0.00 O ATOM 742 ND2 ASN A 49 8.619 -20.208 -12.074 1.00 0.00 N ATOM 0 H ASN A 49 7.105 -16.134 -12.571 1.00 0.00 H new ATOM 0 HA ASN A 49 5.147 -18.033 -12.969 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.899 -19.415 -13.678 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.582 -17.814 -13.874 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.380 -20.523 -11.473 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.040 -20.890 -12.563 1.00 0.00 H new ATOM 749 N ASP A 50 6.615 -18.318 -10.040 1.00 0.00 N ATOM 750 CA ASP A 50 6.518 -18.958 -8.733 1.00 0.00 C ATOM 751 C ASP A 50 5.774 -18.066 -7.745 1.00 0.00 C ATOM 752 O ASP A 50 5.723 -16.847 -7.911 1.00 0.00 O ATOM 753 CB ASP A 50 7.912 -19.285 -8.196 1.00 0.00 C ATOM 754 CG ASP A 50 8.555 -20.449 -8.924 1.00 0.00 C ATOM 755 OD1 ASP A 50 7.842 -21.431 -9.218 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.771 -20.378 -9.199 1.00 0.00 O ATOM 0 H ASP A 50 7.313 -17.576 -10.095 1.00 0.00 H new ATOM 0 HA ASP A 50 5.957 -19.885 -8.851 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.549 -18.406 -8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.843 -19.518 -7.133 1.00 0.00 H new ATOM 761 N SER A 51 5.199 -18.681 -6.716 1.00 0.00 N ATOM 762 CA SER A 51 4.454 -17.943 -5.703 1.00 0.00 C ATOM 763 C SER A 51 5.166 -16.641 -5.347 1.00 0.00 C ATOM 764 O SER A 51 6.352 -16.472 -5.630 1.00 0.00 O ATOM 765 CB SER A 51 4.274 -18.799 -4.448 1.00 0.00 C ATOM 766 OG SER A 51 3.255 -19.766 -4.633 1.00 0.00 O ATOM 0 H SER A 51 5.235 -19.689 -6.562 1.00 0.00 H new ATOM 0 HA SER A 51 3.473 -17.701 -6.112 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.213 -19.297 -4.206 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.024 -18.160 -3.601 1.00 0.00 H new ATOM 0 HG SER A 51 3.160 -20.302 -3.818 1.00 0.00 H new ATOM 772 N ILE A 52 4.432 -15.725 -4.724 1.00 0.00 N ATOM 773 CA ILE A 52 4.992 -14.439 -4.328 1.00 0.00 C ATOM 774 C ILE A 52 5.976 -14.600 -3.174 1.00 0.00 C ATOM 775 O ILE A 52 6.858 -13.764 -2.975 1.00 0.00 O ATOM 776 CB ILE A 52 3.889 -13.448 -3.911 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.046 -14.036 -2.777 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.011 -13.101 -5.105 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.463 -12.991 -1.853 1.00 0.00 C ATOM 0 H ILE A 52 3.449 -15.850 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 52 5.516 -14.042 -5.198 1.00 0.00 H new ATOM 0 HB ILE A 52 4.360 -12.533 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.234 -14.624 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.662 -14.721 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.236 -12.400 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.621 -12.646 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.546 -14.008 -5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.878 -13.480 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.270 -12.419 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.820 -12.320 -2.422 1.00 0.00 H new ATOM 791 N PHE A 53 5.821 -15.681 -2.417 1.00 0.00 N ATOM 792 CA PHE A 53 6.697 -15.953 -1.283 1.00 0.00 C ATOM 793 C PHE A 53 8.160 -15.757 -1.667 1.00 0.00 C ATOM 794 O PHE A 53 9.018 -15.554 -0.807 1.00 0.00 O ATOM 795 CB PHE A 53 6.478 -17.379 -0.774 1.00 0.00 C ATOM 796 CG PHE A 53 5.186 -17.558 -0.028 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.031 -17.043 1.248 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.128 -18.242 -0.604 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.843 -17.205 1.937 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.938 -18.407 0.079 1.00 0.00 C ATOM 801 CZ PHE A 53 2.796 -17.889 1.352 1.00 0.00 C ATOM 0 H PHE A 53 5.097 -16.383 -2.568 1.00 0.00 H new ATOM 0 HA PHE A 53 6.451 -15.249 -0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.498 -18.065 -1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.306 -17.654 -0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.848 -16.509 1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.234 -18.651 -1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.734 -16.797 2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.120 -18.940 -0.382 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.868 -18.019 1.888 1.00 0.00 H new ATOM 811 N LEU A 54 8.439 -15.819 -2.965 1.00 0.00 N ATOM 812 CA LEU A 54 9.799 -15.649 -3.464 1.00 0.00 C ATOM 813 C LEU A 54 10.472 -14.446 -2.812 1.00 0.00 C ATOM 814 O LEU A 54 11.652 -14.494 -2.465 1.00 0.00 O ATOM 815 CB LEU A 54 9.787 -15.480 -4.985 1.00 0.00 C ATOM 816 CG LEU A 54 9.262 -16.670 -5.789 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.748 -16.212 -7.145 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.348 -17.722 -5.955 1.00 0.00 C ATOM 0 H LEU A 54 7.741 -15.986 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 54 10.368 -16.543 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.181 -14.607 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.803 -15.265 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 54 8.432 -17.117 -5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.378 -17.072 -7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.939 -15.496 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.558 -15.740 -7.701 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.957 -18.561 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.198 -17.287 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.669 -18.072 -4.974 1.00 0.00 H new ATOM 830 N LYS A 55 9.713 -13.368 -2.646 1.00 0.00 N ATOM 831 CA LYS A 55 10.234 -12.152 -2.033 1.00 0.00 C ATOM 832 C LYS A 55 10.264 -12.280 -0.513 1.00 0.00 C ATOM 833 O LYS A 55 9.777 -13.262 0.048 1.00 0.00 O ATOM 834 CB LYS A 55 9.381 -10.947 -2.437 1.00 0.00 C ATOM 835 CG LYS A 55 9.240 -10.778 -3.939 1.00 0.00 C ATOM 836 CD LYS A 55 10.449 -10.077 -4.538 1.00 0.00 C ATOM 837 CE LYS A 55 10.321 -9.937 -6.047 1.00 0.00 C ATOM 838 NZ LYS A 55 10.795 -11.156 -6.759 1.00 0.00 N ATOM 0 H LYS A 55 8.734 -13.312 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 55 11.254 -12.003 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.389 -11.051 -1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.823 -10.043 -2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.117 -11.755 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.340 -10.204 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.559 -9.090 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.352 -10.639 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.280 -9.746 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.896 -9.074 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.691 -11.021 -7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.796 -11.324 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.229 -11.975 -6.459 1.00 0.00 H new ATOM 852 N LYS A 56 10.839 -11.281 0.149 1.00 0.00 N ATOM 853 CA LYS A 56 10.931 -11.280 1.604 1.00 0.00 C ATOM 854 C LYS A 56 9.888 -10.348 2.214 1.00 0.00 C ATOM 855 O LYS A 56 9.113 -10.750 3.082 1.00 0.00 O ATOM 856 CB LYS A 56 12.332 -10.854 2.046 1.00 0.00 C ATOM 857 CG LYS A 56 13.372 -11.953 1.915 1.00 0.00 C ATOM 858 CD LYS A 56 14.784 -11.393 1.959 1.00 0.00 C ATOM 859 CE LYS A 56 15.253 -11.173 3.389 1.00 0.00 C ATOM 860 NZ LYS A 56 14.905 -9.812 3.883 1.00 0.00 N ATOM 0 H LYS A 56 11.248 -10.462 -0.300 1.00 0.00 H new ATOM 0 HA LYS A 56 10.738 -12.293 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.646 -9.996 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.292 -10.525 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.241 -12.677 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.221 -12.488 0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.464 -12.079 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.819 -10.450 1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.801 -11.922 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 56 16.332 -11.314 3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.585 -9.524 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.940 -9.136 3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.946 -9.824 4.286 1.00 0.00 H new ATOM 874 N THR A 57 9.874 -9.101 1.754 1.00 0.00 N ATOM 875 CA THR A 57 8.927 -8.113 2.254 1.00 0.00 C ATOM 876 C THR A 57 8.181 -7.437 1.109 1.00 0.00 C ATOM 877 O THR A 57 8.767 -7.128 0.070 1.00 0.00 O ATOM 878 CB THR A 57 9.632 -7.035 3.099 1.00 0.00 C ATOM 879 OG1 THR A 57 10.836 -7.567 3.665 1.00 0.00 O ATOM 880 CG2 THR A 57 8.721 -6.536 4.210 1.00 0.00 C ATOM 0 H THR A 57 10.508 -8.751 1.036 1.00 0.00 H new ATOM 0 HA THR A 57 8.215 -8.648 2.882 1.00 0.00 H new ATOM 0 HB THR A 57 9.876 -6.196 2.447 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.280 -6.876 4.199 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.241 -5.776 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.819 -6.106 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.450 -7.368 4.859 1.00 0.00 H new ATOM 888 N LEU A 58 6.888 -7.208 1.305 1.00 0.00 N ATOM 889 CA LEU A 58 6.061 -6.567 0.287 1.00 0.00 C ATOM 890 C LEU A 58 5.539 -5.221 0.779 1.00 0.00 C ATOM 891 O LEU A 58 5.599 -4.918 1.971 1.00 0.00 O ATOM 892 CB LEU A 58 4.890 -7.474 -0.092 1.00 0.00 C ATOM 893 CG LEU A 58 5.243 -8.725 -0.897 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.986 -9.369 -1.461 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.217 -8.383 -2.015 1.00 0.00 C ATOM 0 H LEU A 58 6.389 -7.456 2.159 1.00 0.00 H new ATOM 0 HA LEU A 58 6.679 -6.396 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.387 -7.785 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.173 -6.887 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 58 5.724 -9.439 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.257 -10.258 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.323 -9.651 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.476 -8.661 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.457 -9.285 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.763 -7.650 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.130 -7.968 -1.588 1.00 0.00 H new ATOM 907 N TYR A 59 5.024 -4.418 -0.145 1.00 0.00 N ATOM 908 CA TYR A 59 4.491 -3.104 0.194 1.00 0.00 C ATOM 909 C TYR A 59 2.986 -3.047 -0.052 1.00 0.00 C ATOM 910 O TYR A 59 2.469 -3.702 -0.956 1.00 0.00 O ATOM 911 CB TYR A 59 5.194 -2.019 -0.623 1.00 0.00 C ATOM 912 CG TYR A 59 6.619 -2.365 -0.991 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.531 -2.761 -0.021 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.052 -2.297 -2.309 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.834 -3.078 -0.353 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.353 -2.613 -2.651 1.00 0.00 C ATOM 917 CZ TYR A 59 9.240 -3.002 -1.669 1.00 0.00 C ATOM 918 OH TYR A 59 10.537 -3.318 -2.004 1.00 0.00 O ATOM 0 H TYR A 59 4.964 -4.654 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 59 4.675 -2.928 1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.626 -1.838 -1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.190 -1.089 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.216 -2.822 1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.360 -1.992 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.531 -3.384 0.414 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.673 -2.556 -3.681 1.00 0.00 H new ATOM 0 HH TYR A 59 10.660 -3.214 -2.971 1.00 0.00 H new ATOM 928 N ILE A 60 2.291 -2.258 0.761 1.00 0.00 N ATOM 929 CA ILE A 60 0.846 -2.113 0.631 1.00 0.00 C ATOM 930 C ILE A 60 0.469 -0.687 0.248 1.00 0.00 C ATOM 931 O ILE A 60 0.785 0.275 0.948 1.00 0.00 O ATOM 932 CB ILE A 60 0.123 -2.490 1.938 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.496 -3.913 2.361 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.383 -2.360 1.767 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.087 -4.968 1.357 1.00 0.00 C ATOM 0 H ILE A 60 2.704 -1.710 1.516 1.00 0.00 H new ATOM 0 HA ILE A 60 0.530 -2.794 -0.159 1.00 0.00 H new ATOM 0 HB ILE A 60 0.440 -1.803 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.574 -3.967 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.026 -4.133 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.880 -2.630 2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.632 -1.331 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.718 -3.026 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.383 -5.952 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.994 -4.941 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.577 -4.772 0.403 1.00 0.00 H new ATOM 947 N PRO A 61 -0.226 -0.544 -0.890 1.00 0.00 N ATOM 948 CA PRO A 61 -0.664 0.762 -1.392 1.00 0.00 C ATOM 949 C PRO A 61 -1.762 1.376 -0.530 1.00 0.00 C ATOM 950 O PRO A 61 -2.861 0.829 -0.427 1.00 0.00 O ATOM 951 CB PRO A 61 -1.197 0.444 -2.791 1.00 0.00 C ATOM 952 CG PRO A 61 -1.599 -0.989 -2.726 1.00 0.00 C ATOM 953 CD PRO A 61 -0.638 -1.646 -1.775 1.00 0.00 C ATOM 0 HA PRO A 61 0.144 1.493 -1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.043 1.081 -3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.434 0.607 -3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.626 -1.091 -2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.551 -1.453 -3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.113 -2.453 -1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.213 -2.080 -2.300 1.00 0.00 H new ATOM 961 N ILE A 62 -1.458 2.513 0.087 1.00 0.00 N ATOM 962 CA ILE A 62 -2.421 3.200 0.938 1.00 0.00 C ATOM 963 C ILE A 62 -3.314 4.127 0.121 1.00 0.00 C ATOM 964 O ILE A 62 -2.843 5.098 -0.472 1.00 0.00 O ATOM 965 CB ILE A 62 -1.717 4.020 2.035 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.635 3.179 2.716 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.729 4.518 3.056 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.210 3.961 3.697 1.00 0.00 C ATOM 0 H ILE A 62 -0.553 2.977 0.013 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.034 2.430 1.407 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.241 4.885 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.108 2.347 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.013 2.749 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.216 5.096 3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.466 5.149 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.231 3.667 3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.956 3.302 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.711 4.777 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.427 4.369 4.482 1.00 0.00 H new