USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 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 48 THR OG1 : rot 180:sc= -0.0701 USER MOD Set 1.2: A 49 ASN : amide:sc= -0.641 K(o=-0.71,f=-4.2!) USER MOD Set 2.1: A 18 HIS : no HD1:sc= 1.02 K(o=2.3,f=-5.3!) USER MOD Set 2.2: A 33 TYR OH : rot -31:sc= 1.24 USER MOD Single : A 19 GLN : amide:sc= 0.116 K(o=0.12,f=-4.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0573 (180deg=-0.331) USER MOD Single : A 36 THR OG1 : rot 110:sc= 0.388 USER MOD Single : A 37 MET CE :methyl -152:sc= -1.67 (180deg=-3.75!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= -0.0144 (180deg=-0.229) USER MOD Single : A 44 ASN : amide:sc= 0.0238 K(o=0.024,f=-0.49) USER MOD Single : A 47 TYR OH : rot 180:sc= 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 3.068 3.740 -0.045 1.00 0.00 N ATOM 182 CA ARG A 15 3.357 2.327 0.166 1.00 0.00 C ATOM 183 C ARG A 15 3.887 2.085 1.576 1.00 0.00 C ATOM 184 O ARG A 15 4.699 2.857 2.087 1.00 0.00 O ATOM 185 CB ARG A 15 4.375 1.834 -0.864 1.00 0.00 C ATOM 186 CG ARG A 15 3.742 1.275 -2.127 1.00 0.00 C ATOM 187 CD ARG A 15 4.634 1.488 -3.340 1.00 0.00 C ATOM 188 NE ARG A 15 4.394 2.781 -3.976 1.00 0.00 N ATOM 189 CZ ARG A 15 3.251 3.107 -4.568 1.00 0.00 C ATOM 190 NH1 ARG A 15 2.248 2.241 -4.604 1.00 0.00 N ATOM 191 NH2 ARG A 15 3.109 4.304 -5.124 1.00 0.00 N ATOM 0 HA ARG A 15 2.428 1.770 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.035 2.659 -1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.997 1.064 -0.408 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.550 0.210 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.778 1.755 -2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.679 1.421 -3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.460 0.691 -4.063 1.00 0.00 H new ATOM 0 HE ARG A 15 5.145 3.471 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.353 1.321 -4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.371 2.495 -5.060 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.878 4.974 -5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.231 4.554 -5.579 1.00 0.00 H new ATOM 205 N LEU A 16 3.421 1.009 2.200 1.00 0.00 N ATOM 206 CA LEU A 16 3.846 0.664 3.553 1.00 0.00 C ATOM 207 C LEU A 16 4.576 -0.675 3.569 1.00 0.00 C ATOM 208 O LEU A 16 4.110 -1.654 2.987 1.00 0.00 O ATOM 209 CB LEU A 16 2.639 0.612 4.491 1.00 0.00 C ATOM 210 CG LEU A 16 2.856 -0.103 5.825 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.931 0.601 6.638 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.554 -0.177 6.609 1.00 0.00 C ATOM 0 H LEU A 16 2.749 0.360 1.791 1.00 0.00 H new ATOM 0 HA LEU A 16 4.533 1.436 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.320 1.634 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.818 0.121 3.968 1.00 0.00 H new ATOM 0 HG LEU A 16 3.191 -1.120 5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.072 0.079 7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.867 0.601 6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.625 1.629 6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.728 -0.689 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.189 0.831 6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.811 -0.726 6.030 1.00 0.00 H new ATOM 224 N GLU A 17 5.722 -0.710 4.242 1.00 0.00 N ATOM 225 CA GLU A 17 6.515 -1.931 4.335 1.00 0.00 C ATOM 226 C GLU A 17 5.865 -2.930 5.288 1.00 0.00 C ATOM 227 O GLU A 17 5.671 -2.643 6.469 1.00 0.00 O ATOM 228 CB GLU A 17 7.934 -1.608 4.807 1.00 0.00 C ATOM 229 CG GLU A 17 8.982 -2.585 4.299 1.00 0.00 C ATOM 230 CD GLU A 17 10.389 -2.197 4.710 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.601 -1.912 5.907 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.278 -2.179 3.833 1.00 0.00 O ATOM 0 H GLU A 17 6.122 0.092 4.730 1.00 0.00 H new ATOM 0 HA GLU A 17 6.563 -2.380 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.197 -0.603 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.953 -1.602 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.758 -3.582 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.927 -2.638 3.212 1.00 0.00 H new ATOM 239 N HIS A 18 5.531 -4.106 4.765 1.00 0.00 N ATOM 240 CA HIS A 18 4.903 -5.149 5.568 1.00 0.00 C ATOM 241 C HIS A 18 5.775 -6.400 5.611 1.00 0.00 C ATOM 242 O HIS A 18 5.966 -7.070 4.596 1.00 0.00 O ATOM 243 CB HIS A 18 3.524 -5.494 5.005 1.00 0.00 C ATOM 244 CG HIS A 18 2.796 -6.535 5.799 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.869 -6.228 6.772 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.863 -7.886 5.759 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.398 -7.345 7.297 1.00 0.00 C ATOM 248 NE2 HIS A 18 1.985 -8.366 6.699 1.00 0.00 N ATOM 0 H HIS A 18 5.685 -4.360 3.789 1.00 0.00 H new ATOM 0 HA HIS A 18 4.789 -4.772 6.584 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.919 -4.588 4.968 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.637 -5.844 3.979 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.491 -8.477 5.108 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.659 -7.412 8.082 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.814 -9.351 6.902 1.00 0.00 H new ATOM 257 N GLN A 19 6.301 -6.708 6.792 1.00 0.00 N ATOM 258 CA GLN A 19 7.154 -7.878 6.966 1.00 0.00 C ATOM 259 C GLN A 19 6.435 -9.147 6.520 1.00 0.00 C ATOM 260 O GLN A 19 5.770 -9.809 7.318 1.00 0.00 O ATOM 261 CB GLN A 19 7.584 -8.008 8.429 1.00 0.00 C ATOM 262 CG GLN A 19 8.902 -7.316 8.739 1.00 0.00 C ATOM 263 CD GLN A 19 8.721 -5.858 9.113 1.00 0.00 C ATOM 264 OE1 GLN A 19 7.626 -5.307 9.000 1.00 0.00 O ATOM 265 NE2 GLN A 19 9.799 -5.224 9.561 1.00 0.00 N ATOM 0 H GLN A 19 6.152 -6.164 7.642 1.00 0.00 H new ATOM 0 HA GLN A 19 8.040 -7.747 6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.805 -7.590 9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.670 -9.065 8.681 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.399 -7.838 9.557 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.558 -7.386 7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.687 -5.720 9.639 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.739 -4.241 9.827 1.00 0.00 H new ATOM 274 N LEU A 20 6.573 -9.480 5.242 1.00 0.00 N ATOM 275 CA LEU A 20 5.936 -10.670 4.689 1.00 0.00 C ATOM 276 C LEU A 20 6.495 -11.935 5.332 1.00 0.00 C ATOM 277 O LEU A 20 7.613 -11.940 5.845 1.00 0.00 O ATOM 278 CB LEU A 20 6.138 -10.723 3.173 1.00 0.00 C ATOM 279 CG LEU A 20 5.052 -11.447 2.377 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.820 -10.567 2.232 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.578 -11.860 1.010 1.00 0.00 C ATOM 0 H LEU A 20 7.120 -8.943 4.569 1.00 0.00 H new ATOM 0 HA LEU A 20 4.869 -10.615 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.213 -9.701 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.093 -11.208 2.970 1.00 0.00 H new ATOM 0 HG LEU A 20 4.768 -12.347 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.058 -11.099 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.430 -10.322 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.088 -9.649 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.791 -12.374 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.890 -10.974 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.430 -12.528 1.135 1.00 0.00 H new ATOM 293 N GLU A 21 5.709 -13.007 5.298 1.00 0.00 N ATOM 294 CA GLU A 21 6.127 -14.278 5.877 1.00 0.00 C ATOM 295 C GLU A 21 5.776 -15.439 4.951 1.00 0.00 C ATOM 296 O GLU A 21 4.833 -15.374 4.162 1.00 0.00 O ATOM 297 CB GLU A 21 5.467 -14.484 7.243 1.00 0.00 C ATOM 298 CG GLU A 21 3.949 -14.532 7.184 1.00 0.00 C ATOM 299 CD GLU A 21 3.326 -14.904 8.516 1.00 0.00 C ATOM 300 OE1 GLU A 21 4.003 -14.748 9.553 1.00 0.00 O ATOM 301 OE2 GLU A 21 2.160 -15.352 8.520 1.00 0.00 O ATOM 0 H GLU A 21 4.780 -13.020 4.876 1.00 0.00 H new ATOM 0 HA GLU A 21 7.209 -14.251 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.835 -15.413 7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.771 -13.677 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.570 -13.560 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.641 -15.255 6.428 1.00 0.00 H new ATOM 308 N PRO A 22 6.553 -16.528 5.048 1.00 0.00 N ATOM 309 CA PRO A 22 6.345 -17.725 4.227 1.00 0.00 C ATOM 310 C PRO A 22 5.075 -18.477 4.610 1.00 0.00 C ATOM 311 O PRO A 22 5.052 -19.214 5.594 1.00 0.00 O ATOM 312 CB PRO A 22 7.581 -18.577 4.523 1.00 0.00 C ATOM 313 CG PRO A 22 8.030 -18.139 5.874 1.00 0.00 C ATOM 314 CD PRO A 22 7.695 -16.676 5.966 1.00 0.00 C ATOM 0 HA PRO A 22 6.222 -17.480 3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.341 -19.640 4.511 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.359 -18.418 3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.524 -18.705 6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.100 -18.303 6.002 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.432 -16.387 6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.536 -16.052 5.665 1.00 0.00 H new ATOM 322 N GLY A 23 4.019 -18.286 3.824 1.00 0.00 N ATOM 323 CA GLY A 23 2.760 -18.953 4.098 1.00 0.00 C ATOM 324 C GLY A 23 1.579 -18.004 4.054 1.00 0.00 C ATOM 325 O GLY A 23 0.429 -18.437 3.985 1.00 0.00 O ATOM 0 H GLY A 23 4.014 -17.681 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.609 -19.750 3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.808 -19.423 5.080 1.00 0.00 H new ATOM 329 N ASP A 24 1.863 -16.707 4.096 1.00 0.00 N ATOM 330 CA ASP A 24 0.815 -15.694 4.061 1.00 0.00 C ATOM 331 C ASP A 24 -0.138 -15.937 2.894 1.00 0.00 C ATOM 332 O ASP A 24 0.038 -16.879 2.121 1.00 0.00 O ATOM 333 CB ASP A 24 1.429 -14.298 3.951 1.00 0.00 C ATOM 334 CG ASP A 24 0.575 -13.235 4.614 1.00 0.00 C ATOM 335 OD1 ASP A 24 -0.439 -12.826 4.009 1.00 0.00 O ATOM 336 OD2 ASP A 24 0.918 -12.814 5.738 1.00 0.00 O ATOM 0 H ASP A 24 2.810 -16.332 4.154 1.00 0.00 H new ATOM 0 HA ASP A 24 0.248 -15.761 4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.418 -14.302 4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.565 -14.046 2.899 1.00 0.00 H new ATOM 341 N THR A 25 -1.148 -15.082 2.774 1.00 0.00 N ATOM 342 CA THR A 25 -2.130 -15.205 1.703 1.00 0.00 C ATOM 343 C THR A 25 -2.492 -13.839 1.130 1.00 0.00 C ATOM 344 O THR A 25 -2.623 -12.860 1.866 1.00 0.00 O ATOM 345 CB THR A 25 -3.414 -15.898 2.196 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.934 -15.212 3.340 1.00 0.00 O ATOM 347 CG2 THR A 25 -3.142 -17.352 2.551 1.00 0.00 C ATOM 0 H THR A 25 -1.308 -14.297 3.405 1.00 0.00 H new ATOM 0 HA THR A 25 -1.673 -15.814 0.923 1.00 0.00 H new ATOM 0 HB THR A 25 -4.148 -15.868 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.751 -15.658 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.063 -17.821 2.897 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.775 -17.879 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.392 -17.400 3.341 1.00 0.00 H new ATOM 355 N LEU A 26 -2.652 -13.780 -0.188 1.00 0.00 N ATOM 356 CA LEU A 26 -3.000 -12.534 -0.861 1.00 0.00 C ATOM 357 C LEU A 26 -4.339 -12.000 -0.360 1.00 0.00 C ATOM 358 O LEU A 26 -4.491 -10.802 -0.124 1.00 0.00 O ATOM 359 CB LEU A 26 -3.057 -12.747 -2.374 1.00 0.00 C ATOM 360 CG LEU A 26 -1.711 -12.767 -3.100 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.790 -13.636 -4.346 1.00 0.00 C ATOM 362 CD2 LEU A 26 -1.278 -11.354 -3.459 1.00 0.00 C ATOM 0 H LEU A 26 -2.546 -14.581 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.228 -11.799 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.566 -13.691 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.670 -11.958 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.965 -13.195 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.823 -13.638 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.054 -14.655 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.549 -13.238 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.318 -11.388 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.024 -10.899 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.180 -10.761 -2.550 1.00 0.00 H new ATOM 374 N ALA A 27 -5.305 -12.898 -0.200 1.00 0.00 N ATOM 375 CA ALA A 27 -6.629 -12.518 0.276 1.00 0.00 C ATOM 376 C ALA A 27 -6.559 -11.929 1.681 1.00 0.00 C ATOM 377 O ALA A 27 -7.331 -11.036 2.030 1.00 0.00 O ATOM 378 CB ALA A 27 -7.564 -13.718 0.251 1.00 0.00 C ATOM 0 H ALA A 27 -5.196 -13.894 -0.393 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.022 -11.752 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.549 -13.419 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.647 -14.093 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.166 -14.502 0.895 1.00 0.00 H new ATOM 384 N GLY A 28 -5.628 -12.435 2.484 1.00 0.00 N ATOM 385 CA GLY A 28 -5.476 -11.947 3.843 1.00 0.00 C ATOM 386 C GLY A 28 -5.030 -10.499 3.892 1.00 0.00 C ATOM 387 O GLY A 28 -5.701 -9.655 4.488 1.00 0.00 O ATOM 0 H GLY A 28 -4.977 -13.174 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.424 -12.050 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.749 -12.566 4.369 1.00 0.00 H new ATOM 391 N LEU A 29 -3.895 -10.209 3.265 1.00 0.00 N ATOM 392 CA LEU A 29 -3.359 -8.852 3.241 1.00 0.00 C ATOM 393 C LEU A 29 -4.352 -7.886 2.604 1.00 0.00 C ATOM 394 O LEU A 29 -4.648 -6.828 3.160 1.00 0.00 O ATOM 395 CB LEU A 29 -2.035 -8.820 2.476 1.00 0.00 C ATOM 396 CG LEU A 29 -0.983 -9.840 2.911 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.225 -9.787 1.989 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.567 -9.594 4.354 1.00 0.00 C ATOM 0 H LEU A 29 -3.328 -10.895 2.767 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.184 -8.538 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.246 -8.975 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.607 -7.822 2.573 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.421 -10.836 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.963 -10.520 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.086 -10.013 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.664 -8.790 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.182 -10.329 4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.148 -8.592 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.437 -9.684 5.004 1.00 0.00 H new ATOM 410 N ALA A 30 -4.865 -8.257 1.435 1.00 0.00 N ATOM 411 CA ALA A 30 -5.828 -7.425 0.724 1.00 0.00 C ATOM 412 C ALA A 30 -6.807 -6.770 1.692 1.00 0.00 C ATOM 413 O ALA A 30 -6.845 -5.545 1.819 1.00 0.00 O ATOM 414 CB ALA A 30 -6.578 -8.253 -0.309 1.00 0.00 C ATOM 0 H ALA A 30 -4.629 -9.129 0.960 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.280 -6.634 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.294 -7.620 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.870 -8.669 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.108 -9.064 0.190 1.00 0.00 H new ATOM 420 N LEU A 31 -7.598 -7.591 2.374 1.00 0.00 N ATOM 421 CA LEU A 31 -8.578 -7.091 3.331 1.00 0.00 C ATOM 422 C LEU A 31 -7.890 -6.475 4.545 1.00 0.00 C ATOM 423 O LEU A 31 -8.224 -5.368 4.967 1.00 0.00 O ATOM 424 CB LEU A 31 -9.508 -8.221 3.776 1.00 0.00 C ATOM 425 CG LEU A 31 -10.130 -9.058 2.658 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.386 -10.480 3.135 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.420 -8.418 2.167 1.00 0.00 C ATOM 0 H LEU A 31 -7.580 -8.607 2.282 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.167 -6.317 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.949 -8.887 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.313 -7.789 4.370 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.427 -9.097 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.829 -11.061 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.444 -10.938 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.069 -10.461 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.849 -9.027 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.129 -8.348 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.208 -7.419 1.785 1.00 0.00 H new ATOM 439 N LYS A 32 -6.924 -7.199 5.101 1.00 0.00 N ATOM 440 CA LYS A 32 -6.185 -6.725 6.264 1.00 0.00 C ATOM 441 C LYS A 32 -6.004 -5.211 6.213 1.00 0.00 C ATOM 442 O LYS A 32 -6.024 -4.539 7.245 1.00 0.00 O ATOM 443 CB LYS A 32 -4.818 -7.410 6.340 1.00 0.00 C ATOM 444 CG LYS A 32 -3.981 -6.967 7.527 1.00 0.00 C ATOM 445 CD LYS A 32 -2.570 -7.528 7.455 1.00 0.00 C ATOM 446 CE LYS A 32 -2.527 -8.984 7.892 1.00 0.00 C ATOM 447 NZ LYS A 32 -2.822 -9.137 9.344 1.00 0.00 N ATOM 0 H LYS A 32 -6.635 -8.117 4.764 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.760 -6.975 7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.964 -8.489 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.267 -7.206 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.939 -5.878 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.457 -7.294 8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.194 -7.442 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.909 -6.937 8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.249 -9.559 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.543 -9.399 7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.463 -10.055 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.360 -8.371 9.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.850 -9.092 9.496 1.00 0.00 H new ATOM 461 N TYR A 33 -5.829 -4.681 5.008 1.00 0.00 N ATOM 462 CA TYR A 33 -5.644 -3.246 4.823 1.00 0.00 C ATOM 463 C TYR A 33 -6.925 -2.593 4.316 1.00 0.00 C ATOM 464 O TYR A 33 -7.452 -1.669 4.936 1.00 0.00 O ATOM 465 CB TYR A 33 -4.500 -2.980 3.843 1.00 0.00 C ATOM 466 CG TYR A 33 -3.129 -3.236 4.428 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.579 -4.512 4.429 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.384 -2.201 4.979 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.327 -4.749 4.963 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.131 -2.429 5.514 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.607 -3.705 5.504 1.00 0.00 C ATOM 472 OH TYR A 33 0.640 -3.938 6.036 1.00 0.00 O ATOM 0 H TYR A 33 -5.811 -5.223 4.144 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.394 -2.810 5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.633 -3.609 2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.555 -1.945 3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.140 -5.332 4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.791 -1.201 4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.914 -5.747 4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.565 -1.613 5.938 1.00 0.00 H new ATOM 0 HH TYR A 33 0.674 -4.845 6.406 1.00 0.00 H new ATOM 482 N GLY A 34 -7.423 -3.080 3.183 1.00 0.00 N ATOM 483 CA GLY A 34 -8.639 -2.533 2.611 1.00 0.00 C ATOM 484 C GLY A 34 -8.562 -2.402 1.103 1.00 0.00 C ATOM 485 O GLY A 34 -9.134 -1.479 0.522 1.00 0.00 O ATOM 0 H GLY A 34 -7.005 -3.844 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.481 -3.173 2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.834 -1.554 3.048 1.00 0.00 H new ATOM 489 N VAL A 35 -7.851 -3.327 0.466 1.00 0.00 N ATOM 490 CA VAL A 35 -7.701 -3.311 -0.985 1.00 0.00 C ATOM 491 C VAL A 35 -7.869 -4.708 -1.570 1.00 0.00 C ATOM 492 O VAL A 35 -8.189 -5.659 -0.856 1.00 0.00 O ATOM 493 CB VAL A 35 -6.326 -2.754 -1.400 1.00 0.00 C ATOM 494 CG1 VAL A 35 -6.104 -1.375 -0.798 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.218 -3.710 -0.987 1.00 0.00 C ATOM 0 H VAL A 35 -7.370 -4.097 0.931 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.482 -2.660 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.305 -2.657 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.128 -0.998 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.881 -0.696 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.144 -1.442 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.254 -3.301 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.235 -3.841 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.370 -4.674 -1.472 1.00 0.00 H new ATOM 505 N THR A 36 -7.651 -4.827 -2.876 1.00 0.00 N ATOM 506 CA THR A 36 -7.779 -6.108 -3.559 1.00 0.00 C ATOM 507 C THR A 36 -6.424 -6.792 -3.704 1.00 0.00 C ATOM 508 O THR A 36 -5.380 -6.164 -3.531 1.00 0.00 O ATOM 509 CB THR A 36 -8.408 -5.940 -4.955 1.00 0.00 C ATOM 510 OG1 THR A 36 -7.390 -5.647 -5.919 1.00 0.00 O ATOM 511 CG2 THR A 36 -9.445 -4.827 -4.951 1.00 0.00 C ATOM 0 H THR A 36 -7.385 -4.051 -3.482 1.00 0.00 H new ATOM 0 HA THR A 36 -8.433 -6.729 -2.946 1.00 0.00 H new ATOM 0 HB THR A 36 -8.902 -6.874 -5.221 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.272 -6.416 -6.514 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.875 -4.727 -5.947 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.233 -5.067 -4.238 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.970 -3.888 -4.665 1.00 0.00 H new ATOM 519 N MET A 37 -6.448 -8.082 -4.022 1.00 0.00 N ATOM 520 CA MET A 37 -5.221 -8.850 -4.191 1.00 0.00 C ATOM 521 C MET A 37 -4.499 -8.446 -5.472 1.00 0.00 C ATOM 522 O MET A 37 -3.274 -8.325 -5.493 1.00 0.00 O ATOM 523 CB MET A 37 -5.531 -10.348 -4.218 1.00 0.00 C ATOM 524 CG MET A 37 -6.203 -10.852 -2.951 1.00 0.00 C ATOM 525 SD MET A 37 -7.213 -12.319 -3.237 1.00 0.00 S ATOM 526 CE MET A 37 -5.949 -13.532 -3.611 1.00 0.00 C ATOM 0 H MET A 37 -7.304 -8.617 -4.168 1.00 0.00 H new ATOM 0 HA MET A 37 -4.569 -8.636 -3.344 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.175 -10.562 -5.071 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.604 -10.900 -4.372 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.441 -11.080 -2.206 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.828 -10.061 -2.536 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.363 -14.299 -4.265 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.112 -13.043 -4.109 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.602 -13.993 -2.686 1.00 0.00 H new ATOM 536 N GLU A 38 -5.265 -8.238 -6.538 1.00 0.00 N ATOM 537 CA GLU A 38 -4.697 -7.849 -7.823 1.00 0.00 C ATOM 538 C GLU A 38 -3.939 -6.530 -7.705 1.00 0.00 C ATOM 539 O GLU A 38 -2.772 -6.437 -8.086 1.00 0.00 O ATOM 540 CB GLU A 38 -5.799 -7.724 -8.877 1.00 0.00 C ATOM 541 CG GLU A 38 -5.279 -7.719 -10.305 1.00 0.00 C ATOM 542 CD GLU A 38 -4.277 -8.827 -10.563 1.00 0.00 C ATOM 543 OE1 GLU A 38 -4.598 -9.999 -10.275 1.00 0.00 O ATOM 544 OE2 GLU A 38 -3.170 -8.522 -11.055 1.00 0.00 O ATOM 0 H GLU A 38 -6.281 -8.332 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.997 -8.625 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.500 -8.550 -8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.357 -6.805 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.117 -7.824 -10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.813 -6.756 -10.515 1.00 0.00 H new ATOM 551 N GLN A 39 -4.611 -5.513 -7.176 1.00 0.00 N ATOM 552 CA GLN A 39 -4.002 -4.199 -7.008 1.00 0.00 C ATOM 553 C GLN A 39 -2.598 -4.320 -6.425 1.00 0.00 C ATOM 554 O GLN A 39 -1.626 -3.857 -7.022 1.00 0.00 O ATOM 555 CB GLN A 39 -4.869 -3.322 -6.103 1.00 0.00 C ATOM 556 CG GLN A 39 -6.078 -2.729 -6.808 1.00 0.00 C ATOM 557 CD GLN A 39 -5.744 -1.468 -7.580 1.00 0.00 C ATOM 558 OE1 GLN A 39 -5.152 -0.534 -7.039 1.00 0.00 O ATOM 559 NE2 GLN A 39 -6.121 -1.435 -8.853 1.00 0.00 N ATOM 0 H GLN A 39 -5.578 -5.574 -6.856 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.929 -3.733 -7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.209 -3.915 -5.254 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.259 -2.512 -5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.494 -3.469 -7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.850 -2.506 -6.071 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.610 -2.232 -9.261 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.922 -0.613 -9.423 1.00 0.00 H new ATOM 568 N ILE A 40 -2.500 -4.945 -5.257 1.00 0.00 N ATOM 569 CA ILE A 40 -1.215 -5.127 -4.594 1.00 0.00 C ATOM 570 C ILE A 40 -0.204 -5.786 -5.526 1.00 0.00 C ATOM 571 O ILE A 40 0.975 -5.431 -5.533 1.00 0.00 O ATOM 572 CB ILE A 40 -1.355 -5.982 -3.320 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.330 -5.324 -2.342 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.004 -6.184 -2.666 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.596 -6.152 -1.105 1.00 0.00 C ATOM 0 H ILE A 40 -3.295 -5.334 -4.750 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.859 -4.134 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.752 -6.958 -3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.932 -4.355 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.274 -5.136 -2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.111 -6.790 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.671 -6.691 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.427 -5.215 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.296 -5.624 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.024 -7.112 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.661 -6.318 -0.570 1.00 0.00 H new ATOM 587 N LYS A 41 -0.673 -6.747 -6.315 1.00 0.00 N ATOM 588 CA LYS A 41 0.188 -7.454 -7.255 1.00 0.00 C ATOM 589 C LYS A 41 0.617 -6.538 -8.396 1.00 0.00 C ATOM 590 O LYS A 41 1.782 -6.151 -8.489 1.00 0.00 O ATOM 591 CB LYS A 41 -0.535 -8.681 -7.816 1.00 0.00 C ATOM 592 CG LYS A 41 -0.718 -9.796 -6.802 1.00 0.00 C ATOM 593 CD LYS A 41 -1.736 -10.820 -7.276 1.00 0.00 C ATOM 594 CE LYS A 41 -1.101 -11.854 -8.193 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.478 -12.968 -7.426 1.00 0.00 N ATOM 0 H LYS A 41 -1.646 -7.054 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 41 1.080 -7.778 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.513 -8.377 -8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.026 -9.065 -8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.238 -10.288 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.041 -9.374 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.179 -11.320 -6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.545 -10.314 -7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.858 -12.256 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.345 -11.373 -8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.086 -13.559 -8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.138 -12.577 -6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.223 -13.547 -6.988 1.00 0.00 H new ATOM 609 N ARG A 42 -0.332 -6.192 -9.260 1.00 0.00 N ATOM 610 CA ARG A 42 -0.051 -5.320 -10.394 1.00 0.00 C ATOM 611 C ARG A 42 0.791 -4.122 -9.964 1.00 0.00 C ATOM 612 O ARG A 42 1.669 -3.672 -10.699 1.00 0.00 O ATOM 613 CB ARG A 42 -1.357 -4.837 -11.029 1.00 0.00 C ATOM 614 CG ARG A 42 -1.169 -4.188 -12.390 1.00 0.00 C ATOM 615 CD ARG A 42 -2.495 -3.737 -12.980 1.00 0.00 C ATOM 616 NE ARG A 42 -2.895 -2.422 -12.487 1.00 0.00 N ATOM 617 CZ ARG A 42 -2.426 -1.279 -12.976 1.00 0.00 C ATOM 618 NH1 ARG A 42 -1.545 -1.291 -13.968 1.00 0.00 N ATOM 619 NH2 ARG A 42 -2.837 -0.122 -12.474 1.00 0.00 N ATOM 0 H ARG A 42 -1.302 -6.502 -9.196 1.00 0.00 H new ATOM 0 HA ARG A 42 0.513 -5.893 -11.130 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.037 -5.683 -11.130 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.835 -4.123 -10.358 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.501 -3.332 -12.297 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.689 -4.894 -13.068 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.417 -3.708 -14.067 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.267 -4.466 -12.735 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.572 -2.378 -11.725 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.227 -2.179 -14.357 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.186 -0.413 -14.342 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.514 -0.109 -11.711 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.476 0.754 -12.851 1.00 0.00 H new ATOM 633 N ALA A 43 0.516 -3.610 -8.768 1.00 0.00 N ATOM 634 CA ALA A 43 1.248 -2.467 -8.240 1.00 0.00 C ATOM 635 C ALA A 43 2.733 -2.783 -8.099 1.00 0.00 C ATOM 636 O ALA A 43 3.584 -1.924 -8.321 1.00 0.00 O ATOM 637 CB ALA A 43 0.668 -2.042 -6.899 1.00 0.00 C ATOM 0 H ALA A 43 -0.209 -3.970 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 43 1.144 -1.643 -8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.225 -1.187 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.379 -1.766 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.742 -2.869 -6.192 1.00 0.00 H new ATOM 643 N ASN A 44 3.036 -4.023 -7.727 1.00 0.00 N ATOM 644 CA ASN A 44 4.419 -4.452 -7.555 1.00 0.00 C ATOM 645 C ASN A 44 4.741 -5.630 -8.470 1.00 0.00 C ATOM 646 O ASN A 44 5.675 -6.391 -8.215 1.00 0.00 O ATOM 647 CB ASN A 44 4.678 -4.839 -6.098 1.00 0.00 C ATOM 648 CG ASN A 44 4.123 -3.819 -5.122 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.163 -2.615 -5.375 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.601 -4.299 -3.999 1.00 0.00 N ATOM 0 H ASN A 44 2.343 -4.747 -7.539 1.00 0.00 H new ATOM 0 HA ASN A 44 5.067 -3.618 -7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.229 -5.812 -5.898 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.751 -4.945 -5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.212 -3.662 -3.304 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.589 -5.305 -3.831 1.00 0.00 H new ATOM 657 N ARG A 45 3.961 -5.774 -9.537 1.00 0.00 N ATOM 658 CA ARG A 45 4.163 -6.859 -10.490 1.00 0.00 C ATOM 659 C ARG A 45 4.677 -8.111 -9.786 1.00 0.00 C ATOM 660 O ARG A 45 5.599 -8.772 -10.266 1.00 0.00 O ATOM 661 CB ARG A 45 5.147 -6.432 -11.580 1.00 0.00 C ATOM 662 CG ARG A 45 4.657 -5.266 -12.422 1.00 0.00 C ATOM 663 CD ARG A 45 5.083 -3.932 -11.828 1.00 0.00 C ATOM 664 NE ARG A 45 4.144 -2.863 -12.154 1.00 0.00 N ATOM 665 CZ ARG A 45 4.146 -2.210 -13.312 1.00 0.00 C ATOM 666 NH1 ARG A 45 5.033 -2.517 -14.248 1.00 0.00 N ATOM 667 NH2 ARG A 45 3.259 -1.249 -13.534 1.00 0.00 N ATOM 0 H ARG A 45 3.184 -5.153 -9.763 1.00 0.00 H new ATOM 0 HA ARG A 45 3.202 -7.090 -10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.095 -6.160 -11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.344 -7.282 -12.233 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.050 -5.357 -13.435 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.570 -5.302 -12.497 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.163 -4.026 -10.745 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.074 -3.670 -12.199 1.00 0.00 H new ATOM 0 HE ARG A 45 3.448 -2.603 -11.455 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.716 -3.256 -14.081 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.032 -2.014 -15.136 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.575 -1.011 -12.816 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.261 -0.748 -14.423 1.00 0.00 H new ATOM 681 N LEU A 46 4.075 -8.433 -8.647 1.00 0.00 N ATOM 682 CA LEU A 46 4.471 -9.606 -7.876 1.00 0.00 C ATOM 683 C LEU A 46 4.077 -10.891 -8.599 1.00 0.00 C ATOM 684 O LEU A 46 4.555 -11.975 -8.264 1.00 0.00 O ATOM 685 CB LEU A 46 3.829 -9.571 -6.488 1.00 0.00 C ATOM 686 CG LEU A 46 4.595 -8.796 -5.415 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.814 -8.781 -4.109 1.00 0.00 C ATOM 688 CD2 LEU A 46 5.976 -9.398 -5.206 1.00 0.00 C ATOM 0 H LEU A 46 3.310 -7.898 -8.236 1.00 0.00 H new ATOM 0 HA LEU A 46 5.555 -9.589 -7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.833 -9.137 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.699 -10.597 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 46 4.717 -7.767 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.374 -8.225 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.847 -8.303 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.661 -9.804 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.507 -8.834 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.876 -10.436 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.536 -9.356 -6.140 1.00 0.00 H new ATOM 700 N TYR A 47 3.205 -10.761 -9.592 1.00 0.00 N ATOM 701 CA TYR A 47 2.746 -11.911 -10.362 1.00 0.00 C ATOM 702 C TYR A 47 3.915 -12.601 -11.059 1.00 0.00 C ATOM 703 O TYR A 47 4.449 -12.097 -12.048 1.00 0.00 O ATOM 704 CB TYR A 47 1.705 -11.477 -11.395 1.00 0.00 C ATOM 705 CG TYR A 47 2.301 -10.794 -12.605 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.913 -9.551 -12.494 1.00 0.00 C ATOM 707 CD2 TYR A 47 2.252 -11.390 -13.859 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.458 -8.923 -13.597 1.00 0.00 C ATOM 709 CE2 TYR A 47 2.796 -10.770 -14.967 1.00 0.00 C ATOM 710 CZ TYR A 47 3.398 -9.536 -14.831 1.00 0.00 C ATOM 711 OH TYR A 47 3.940 -8.914 -15.932 1.00 0.00 O ATOM 0 H TYR A 47 2.802 -9.871 -9.883 1.00 0.00 H new ATOM 0 HA TYR A 47 2.289 -12.620 -9.672 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.143 -12.352 -11.722 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.994 -10.801 -10.920 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.963 -9.068 -11.529 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.780 -12.355 -13.969 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.929 -7.957 -13.494 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.750 -11.248 -15.934 1.00 0.00 H new ATOM 0 HH TYR A 47 3.815 -9.480 -16.722 1.00 0.00 H new ATOM 721 N THR A 48 4.307 -13.758 -10.536 1.00 0.00 N ATOM 722 CA THR A 48 5.412 -14.519 -11.107 1.00 0.00 C ATOM 723 C THR A 48 5.070 -16.002 -11.197 1.00 0.00 C ATOM 724 O THR A 48 4.166 -16.482 -10.515 1.00 0.00 O ATOM 725 CB THR A 48 6.698 -14.350 -10.276 1.00 0.00 C ATOM 726 OG1 THR A 48 7.458 -15.564 -10.297 1.00 0.00 O ATOM 727 CG2 THR A 48 6.368 -13.978 -8.838 1.00 0.00 C ATOM 0 H THR A 48 3.876 -14.189 -9.718 1.00 0.00 H new ATOM 0 HA THR A 48 5.581 -14.127 -12.110 1.00 0.00 H new ATOM 0 HB THR A 48 7.286 -13.545 -10.717 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.275 -15.448 -9.768 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.292 -13.864 -8.271 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.815 -13.039 -8.823 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.761 -14.764 -8.389 1.00 0.00 H new ATOM 735 N ASN A 49 5.799 -16.721 -12.044 1.00 0.00 N ATOM 736 CA ASN A 49 5.573 -18.151 -12.223 1.00 0.00 C ATOM 737 C ASN A 49 5.500 -18.864 -10.876 1.00 0.00 C ATOM 738 O ASN A 49 4.709 -19.789 -10.694 1.00 0.00 O ATOM 739 CB ASN A 49 6.686 -18.762 -13.077 1.00 0.00 C ATOM 740 CG ASN A 49 8.057 -18.578 -12.455 1.00 0.00 C ATOM 741 OD1 ASN A 49 8.403 -17.489 -11.998 1.00 0.00 O ATOM 742 ND2 ASN A 49 8.846 -19.647 -12.436 1.00 0.00 N ATOM 0 H ASN A 49 6.551 -16.338 -12.617 1.00 0.00 H new ATOM 0 HA ASN A 49 4.619 -18.281 -12.734 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.492 -19.826 -13.215 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.674 -18.305 -14.066 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.780 -19.584 -12.031 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.518 -20.530 -12.826 1.00 0.00 H new ATOM 749 N ASP A 50 6.329 -18.425 -9.936 1.00 0.00 N ATOM 750 CA ASP A 50 6.358 -19.019 -8.604 1.00 0.00 C ATOM 751 C ASP A 50 5.660 -18.118 -7.592 1.00 0.00 C ATOM 752 O ASP A 50 5.547 -16.909 -7.796 1.00 0.00 O ATOM 753 CB ASP A 50 7.801 -19.276 -8.168 1.00 0.00 C ATOM 754 CG ASP A 50 8.397 -20.504 -8.828 1.00 0.00 C ATOM 755 OD1 ASP A 50 7.908 -20.891 -9.910 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.350 -21.079 -8.262 1.00 0.00 O ATOM 0 H ASP A 50 6.990 -17.660 -10.071 1.00 0.00 H new ATOM 0 HA ASP A 50 5.825 -19.969 -8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.411 -18.405 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.834 -19.397 -7.085 1.00 0.00 H new ATOM 761 N SER A 51 5.192 -18.714 -6.500 1.00 0.00 N ATOM 762 CA SER A 51 4.500 -17.965 -5.457 1.00 0.00 C ATOM 763 C SER A 51 5.191 -16.630 -5.198 1.00 0.00 C ATOM 764 O SER A 51 6.341 -16.428 -5.587 1.00 0.00 O ATOM 765 CB SER A 51 4.444 -18.782 -4.165 1.00 0.00 C ATOM 766 OG SER A 51 3.508 -19.841 -4.271 1.00 0.00 O ATOM 0 H SER A 51 5.279 -19.713 -6.314 1.00 0.00 H new ATOM 0 HA SER A 51 3.484 -17.768 -5.799 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.432 -19.186 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.171 -18.133 -3.332 1.00 0.00 H new ATOM 0 HG SER A 51 3.492 -20.349 -3.433 1.00 0.00 H new ATOM 772 N ILE A 52 4.480 -15.722 -4.538 1.00 0.00 N ATOM 773 CA ILE A 52 5.024 -14.406 -4.225 1.00 0.00 C ATOM 774 C ILE A 52 6.047 -14.488 -3.098 1.00 0.00 C ATOM 775 O ILE A 52 6.920 -13.628 -2.973 1.00 0.00 O ATOM 776 CB ILE A 52 3.913 -13.418 -3.824 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.078 -13.994 -2.678 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.030 -13.099 -5.021 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.173 -12.976 -2.019 1.00 0.00 C ATOM 0 H ILE A 52 3.526 -15.873 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 52 5.512 -14.043 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 52 4.376 -12.492 -3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.471 -14.815 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.747 -14.414 -1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.250 -12.400 -4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.634 -12.652 -5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.572 -14.017 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.612 -13.454 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.775 -12.166 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.479 -12.574 -2.757 1.00 0.00 H new ATOM 791 N PHE A 53 5.936 -15.529 -2.279 1.00 0.00 N ATOM 792 CA PHE A 53 6.852 -15.724 -1.162 1.00 0.00 C ATOM 793 C PHE A 53 8.299 -15.524 -1.604 1.00 0.00 C ATOM 794 O PHE A 53 9.182 -15.271 -0.783 1.00 0.00 O ATOM 795 CB PHE A 53 6.677 -17.124 -0.570 1.00 0.00 C ATOM 796 CG PHE A 53 5.300 -17.376 -0.025 1.00 0.00 C ATOM 797 CD1 PHE A 53 4.620 -16.384 0.663 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.685 -18.606 -0.200 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.353 -16.612 1.166 1.00 0.00 C ATOM 800 CE2 PHE A 53 3.418 -18.840 0.300 1.00 0.00 C ATOM 801 CZ PHE A 53 2.752 -17.842 0.985 1.00 0.00 C ATOM 0 H PHE A 53 5.220 -16.250 -2.368 1.00 0.00 H new ATOM 0 HA PHE A 53 6.618 -14.982 -0.399 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.896 -17.865 -1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.406 -17.267 0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.086 -15.420 0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.202 -19.390 -0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.834 -15.830 1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.949 -19.802 0.155 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.763 -18.024 1.378 1.00 0.00 H new ATOM 811 N LEU A 54 8.535 -15.641 -2.906 1.00 0.00 N ATOM 812 CA LEU A 54 9.875 -15.474 -3.458 1.00 0.00 C ATOM 813 C LEU A 54 10.573 -14.268 -2.838 1.00 0.00 C ATOM 814 O LEU A 54 11.793 -14.263 -2.667 1.00 0.00 O ATOM 815 CB LEU A 54 9.804 -15.310 -4.978 1.00 0.00 C ATOM 816 CG LEU A 54 9.295 -16.521 -5.760 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.802 -16.099 -7.136 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.386 -17.575 -5.882 1.00 0.00 C ATOM 0 H LEU A 54 7.816 -15.851 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 54 10.453 -16.367 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.159 -14.461 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.800 -15.059 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 54 8.458 -16.956 -5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.444 -16.974 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.989 -15.381 -7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.620 -15.639 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.005 -18.430 -6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.244 -17.152 -6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.691 -17.900 -4.887 1.00 0.00 H new ATOM 830 N LYS A 55 9.793 -13.247 -2.500 1.00 0.00 N ATOM 831 CA LYS A 55 10.334 -12.037 -1.895 1.00 0.00 C ATOM 832 C LYS A 55 10.359 -12.153 -0.374 1.00 0.00 C ATOM 833 O LYS A 55 10.042 -13.204 0.184 1.00 0.00 O ATOM 834 CB LYS A 55 9.506 -10.819 -2.310 1.00 0.00 C ATOM 835 CG LYS A 55 9.548 -10.535 -3.802 1.00 0.00 C ATOM 836 CD LYS A 55 9.400 -9.051 -4.091 1.00 0.00 C ATOM 837 CE LYS A 55 9.710 -8.734 -5.546 1.00 0.00 C ATOM 838 NZ LYS A 55 10.023 -7.292 -5.745 1.00 0.00 N ATOM 0 H LYS A 55 8.782 -13.234 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 55 11.357 -11.911 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.470 -10.974 -2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.868 -9.943 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.490 -10.895 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.750 -11.085 -4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.384 -8.733 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.069 -8.484 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.555 -9.338 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.858 -9.010 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.229 -7.117 -6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.208 -6.716 -5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.852 -7.034 -5.172 1.00 0.00 H new ATOM 852 N LYS A 56 10.735 -11.066 0.292 1.00 0.00 N ATOM 853 CA LYS A 56 10.799 -11.045 1.749 1.00 0.00 C ATOM 854 C LYS A 56 9.807 -10.037 2.321 1.00 0.00 C ATOM 855 O LYS A 56 9.071 -10.339 3.261 1.00 0.00 O ATOM 856 CB LYS A 56 12.216 -10.702 2.213 1.00 0.00 C ATOM 857 CG LYS A 56 12.400 -10.788 3.718 1.00 0.00 C ATOM 858 CD LYS A 56 12.450 -12.230 4.193 1.00 0.00 C ATOM 859 CE LYS A 56 12.386 -12.320 5.710 1.00 0.00 C ATOM 860 NZ LYS A 56 12.405 -13.732 6.183 1.00 0.00 N ATOM 0 H LYS A 56 11.000 -10.188 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 56 10.535 -12.037 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.921 -11.378 1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.464 -9.693 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.321 -10.278 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.581 -10.268 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.619 -12.786 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.367 -12.699 3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.229 -11.781 6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.479 -11.830 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.360 -13.751 7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.586 -14.240 5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.282 -14.192 5.866 1.00 0.00 H new ATOM 874 N THR A 57 9.792 -8.837 1.748 1.00 0.00 N ATOM 875 CA THR A 57 8.892 -7.785 2.201 1.00 0.00 C ATOM 876 C THR A 57 8.038 -7.260 1.053 1.00 0.00 C ATOM 877 O THR A 57 8.520 -7.097 -0.069 1.00 0.00 O ATOM 878 CB THR A 57 9.668 -6.611 2.827 1.00 0.00 C ATOM 879 OG1 THR A 57 10.965 -6.508 2.228 1.00 0.00 O ATOM 880 CG2 THR A 57 9.811 -6.796 4.330 1.00 0.00 C ATOM 0 H THR A 57 10.394 -8.570 0.969 1.00 0.00 H new ATOM 0 HA THR A 57 8.245 -8.228 2.959 1.00 0.00 H new ATOM 0 HB THR A 57 9.108 -5.694 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.452 -5.758 2.630 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.362 -5.954 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.822 -6.846 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.351 -7.721 4.533 1.00 0.00 H new ATOM 888 N LEU A 58 6.768 -6.996 1.339 1.00 0.00 N ATOM 889 CA LEU A 58 5.845 -6.488 0.329 1.00 0.00 C ATOM 890 C LEU A 58 5.239 -5.158 0.765 1.00 0.00 C ATOM 891 O LEU A 58 4.868 -4.984 1.926 1.00 0.00 O ATOM 892 CB LEU A 58 4.734 -7.506 0.067 1.00 0.00 C ATOM 893 CG LEU A 58 5.156 -8.791 -0.646 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.945 -9.498 -1.233 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.178 -8.488 -1.732 1.00 0.00 C ATOM 0 H LEU A 58 6.353 -7.125 2.262 1.00 0.00 H new ATOM 0 HA LEU A 58 6.406 -6.326 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.283 -7.775 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.958 -7.023 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 58 5.619 -9.454 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.265 -10.410 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.248 -9.750 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.453 -8.841 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.467 -9.414 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.742 -7.806 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.058 -8.027 -1.285 1.00 0.00 H new ATOM 907 N TYR A 59 5.140 -4.223 -0.173 1.00 0.00 N ATOM 908 CA TYR A 59 4.579 -2.908 0.114 1.00 0.00 C ATOM 909 C TYR A 59 3.077 -2.887 -0.154 1.00 0.00 C ATOM 910 O TYR A 59 2.591 -3.536 -1.080 1.00 0.00 O ATOM 911 CB TYR A 59 5.274 -1.839 -0.730 1.00 0.00 C ATOM 912 CG TYR A 59 6.708 -2.175 -1.074 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.564 -2.710 -0.119 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.206 -1.959 -2.353 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.875 -3.018 -0.428 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.515 -2.265 -2.671 1.00 0.00 C ATOM 917 CZ TYR A 59 9.345 -2.794 -1.705 1.00 0.00 C ATOM 918 OH TYR A 59 10.650 -3.101 -2.017 1.00 0.00 O ATOM 0 H TYR A 59 5.441 -4.351 -1.139 1.00 0.00 H new ATOM 0 HA TYR A 59 4.745 -2.692 1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.712 -1.695 -1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.251 -0.892 -0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.198 -2.888 0.882 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.559 -1.545 -3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.528 -3.432 0.326 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.886 -2.091 -3.670 1.00 0.00 H new ATOM 0 HH TYR A 59 10.821 -2.884 -2.957 1.00 0.00 H new ATOM 928 N ILE A 60 2.348 -2.134 0.664 1.00 0.00 N ATOM 929 CA ILE A 60 0.902 -2.026 0.515 1.00 0.00 C ATOM 930 C ILE A 60 0.496 -0.613 0.109 1.00 0.00 C ATOM 931 O ILE A 60 0.787 0.366 0.797 1.00 0.00 O ATOM 932 CB ILE A 60 0.173 -2.403 1.818 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.562 -3.816 2.256 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.333 -2.296 1.632 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.030 -4.899 1.343 1.00 0.00 C ATOM 0 H ILE A 60 2.735 -1.591 1.436 1.00 0.00 H new ATOM 0 HA ILE A 60 0.612 -2.725 -0.270 1.00 0.00 H new ATOM 0 HB ILE A 60 0.474 -1.705 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.649 -3.889 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.192 -3.989 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.834 -2.566 2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.594 -1.273 1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.651 -2.973 0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.344 -5.875 1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.059 -4.853 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.421 -4.751 0.336 1.00 0.00 H new ATOM 947 N PRO A 61 -0.195 -0.502 -1.035 1.00 0.00 N ATOM 948 CA PRO A 61 -0.659 0.786 -1.558 1.00 0.00 C ATOM 949 C PRO A 61 -1.775 1.388 -0.712 1.00 0.00 C ATOM 950 O PRO A 61 -2.864 0.822 -0.612 1.00 0.00 O ATOM 951 CB PRO A 61 -1.177 0.436 -2.956 1.00 0.00 C ATOM 952 CG PRO A 61 -1.547 -1.005 -2.872 1.00 0.00 C ATOM 953 CD PRO A 61 -0.577 -1.626 -1.906 1.00 0.00 C ATOM 0 HA PRO A 61 0.133 1.535 -1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.036 1.050 -3.225 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.413 0.605 -3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.573 -1.125 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.483 -1.482 -3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.037 -2.435 -1.339 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.287 -2.048 -2.420 1.00 0.00 H new ATOM 961 N ILE A 62 -1.497 2.536 -0.104 1.00 0.00 N ATOM 962 CA ILE A 62 -2.480 3.214 0.733 1.00 0.00 C ATOM 963 C ILE A 62 -3.361 4.142 -0.096 1.00 0.00 C ATOM 964 O ILE A 62 -2.929 5.217 -0.515 1.00 0.00 O ATOM 965 CB ILE A 62 -1.801 4.030 1.848 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.595 3.271 2.404 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.795 4.341 2.957 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.265 4.099 3.333 1.00 0.00 C ATOM 0 H ILE A 62 -0.600 3.016 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.098 2.439 1.186 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.450 4.972 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.946 2.388 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.017 2.919 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.300 4.918 3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.625 4.918 2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.173 3.410 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.101 3.497 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.646 4.968 2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.332 4.430 4.183 1.00 0.00 H new