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= 0.241 K(o=0.59,f=-0.73) USER MOD Set 1.2: A 33 TYR OH : rot 165:sc= 0.347 USER MOD Single : A 19 GLN : amide:sc= -0.0227 K(o=-0.023,f=-1.4!) 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= 0.402 USER MOD Single : A 37 MET CE :methyl -164:sc= -0.0758 (180deg=-0.402) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.221) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.5 USER MOD Single : A 48 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ARG A 15 2.927 3.636 -0.088 1.00 0.00 N ATOM 182 CA ARG A 15 3.221 2.223 0.115 1.00 0.00 C ATOM 183 C ARG A 15 3.785 1.980 1.511 1.00 0.00 C ATOM 184 O ARG A 15 4.639 2.730 1.987 1.00 0.00 O ATOM 185 CB ARG A 15 4.213 1.730 -0.941 1.00 0.00 C ATOM 186 CG ARG A 15 3.547 1.172 -2.188 1.00 0.00 C ATOM 187 CD ARG A 15 4.409 1.386 -3.422 1.00 0.00 C ATOM 188 NE ARG A 15 4.130 2.666 -4.069 1.00 0.00 N ATOM 189 CZ ARG A 15 4.654 3.031 -5.234 1.00 0.00 C ATOM 190 NH1 ARG A 15 5.480 2.216 -5.877 1.00 0.00 N ATOM 191 NH2 ARG A 15 4.353 4.212 -5.758 1.00 0.00 N ATOM 0 HA ARG A 15 2.289 1.666 0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.867 2.554 -1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.846 0.959 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.358 0.107 -2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.579 1.652 -2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.461 1.344 -3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.235 0.576 -4.131 1.00 0.00 H new ATOM 0 HE ARG A 15 3.498 3.315 -3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.714 1.307 -5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.881 2.498 -6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.718 4.841 -5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.756 4.491 -6.653 1.00 0.00 H new ATOM 205 N LEU A 16 3.303 0.929 2.164 1.00 0.00 N ATOM 206 CA LEU A 16 3.759 0.587 3.507 1.00 0.00 C ATOM 207 C LEU A 16 4.591 -0.691 3.491 1.00 0.00 C ATOM 208 O LEU A 16 4.180 -1.704 2.926 1.00 0.00 O ATOM 209 CB LEU A 16 2.562 0.417 4.445 1.00 0.00 C ATOM 210 CG LEU A 16 2.833 -0.335 5.749 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.799 0.447 6.625 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.532 -0.600 6.492 1.00 0.00 C ATOM 0 H LEU A 16 2.596 0.298 1.786 1.00 0.00 H new ATOM 0 HA LEU A 16 4.385 1.402 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.176 1.406 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.773 -0.106 3.904 1.00 0.00 H new ATOM 0 HG LEU A 16 3.291 -1.294 5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.980 -0.103 7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.741 0.585 6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.369 1.421 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.744 -1.136 7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.046 0.348 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.872 -1.202 5.867 1.00 0.00 H new ATOM 224 N GLU A 17 5.763 -0.636 4.116 1.00 0.00 N ATOM 225 CA GLU A 17 6.653 -1.790 4.173 1.00 0.00 C ATOM 226 C GLU A 17 6.123 -2.837 5.149 1.00 0.00 C ATOM 227 O GLU A 17 6.095 -2.616 6.360 1.00 0.00 O ATOM 228 CB GLU A 17 8.060 -1.357 4.588 1.00 0.00 C ATOM 229 CG GLU A 17 9.157 -2.266 4.060 1.00 0.00 C ATOM 230 CD GLU A 17 10.547 -1.727 4.339 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.907 -1.600 5.528 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.274 -1.433 3.367 1.00 0.00 O ATOM 0 H GLU A 17 6.118 0.195 4.590 1.00 0.00 H new ATOM 0 HA GLU A 17 6.696 -2.233 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.238 -0.342 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.116 -1.328 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.056 -3.252 4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.031 -2.395 2.985 1.00 0.00 H new ATOM 239 N HIS A 18 5.703 -3.979 4.612 1.00 0.00 N ATOM 240 CA HIS A 18 5.173 -5.061 5.435 1.00 0.00 C ATOM 241 C HIS A 18 6.137 -6.243 5.463 1.00 0.00 C ATOM 242 O HIS A 18 6.484 -6.797 4.421 1.00 0.00 O ATOM 243 CB HIS A 18 3.811 -5.511 4.907 1.00 0.00 C ATOM 244 CG HIS A 18 3.148 -6.544 5.765 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.291 -6.228 6.797 1.00 0.00 N ATOM 246 CD2 HIS A 18 3.219 -7.896 5.738 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.864 -7.340 7.369 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.413 -8.366 6.745 1.00 0.00 N ATOM 0 H HIS A 18 5.719 -4.179 3.612 1.00 0.00 H new ATOM 0 HA HIS A 18 5.054 -4.687 6.452 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.157 -4.643 4.827 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.935 -5.911 3.901 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.801 -8.493 5.052 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.182 -7.400 8.204 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.263 -9.349 6.974 1.00 0.00 H new ATOM 257 N GLN A 19 6.566 -6.622 6.663 1.00 0.00 N ATOM 258 CA GLN A 19 7.491 -7.737 6.826 1.00 0.00 C ATOM 259 C GLN A 19 6.809 -9.062 6.502 1.00 0.00 C ATOM 260 O GLN A 19 6.354 -9.774 7.398 1.00 0.00 O ATOM 261 CB GLN A 19 8.039 -7.768 8.253 1.00 0.00 C ATOM 262 CG GLN A 19 9.380 -8.474 8.375 1.00 0.00 C ATOM 263 CD GLN A 19 9.768 -8.746 9.815 1.00 0.00 C ATOM 264 OE1 GLN A 19 8.914 -8.801 10.701 1.00 0.00 O ATOM 265 NE2 GLN A 19 11.062 -8.917 10.058 1.00 0.00 N ATOM 0 H GLN A 19 6.288 -6.173 7.536 1.00 0.00 H new ATOM 0 HA GLN A 19 8.318 -7.595 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.142 -6.745 8.616 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.316 -8.265 8.900 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.341 -9.417 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.151 -7.865 7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.736 -8.863 9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.382 -9.102 11.009 1.00 0.00 H new ATOM 274 N LEU A 20 6.740 -9.388 5.216 1.00 0.00 N ATOM 275 CA LEU A 20 6.113 -10.628 4.773 1.00 0.00 C ATOM 276 C LEU A 20 6.464 -11.780 5.708 1.00 0.00 C ATOM 277 O LEU A 20 7.596 -12.262 5.717 1.00 0.00 O ATOM 278 CB LEU A 20 6.551 -10.963 3.346 1.00 0.00 C ATOM 279 CG LEU A 20 5.534 -11.720 2.492 1.00 0.00 C ATOM 280 CD1 LEU A 20 4.508 -10.761 1.908 1.00 0.00 C ATOM 281 CD2 LEU A 20 6.237 -12.491 1.384 1.00 0.00 C ATOM 0 H LEU A 20 7.111 -8.810 4.461 1.00 0.00 H new ATOM 0 HA LEU A 20 5.032 -10.486 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.802 -10.033 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.465 -11.555 3.397 1.00 0.00 H new ATOM 0 HG LEU A 20 5.012 -12.434 3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.792 -11.318 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.982 -10.254 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.013 -10.023 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.498 -13.024 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.785 -11.796 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.932 -13.206 1.823 1.00 0.00 H new ATOM 293 N GLU A 21 5.484 -12.218 6.493 1.00 0.00 N ATOM 294 CA GLU A 21 5.690 -13.316 7.431 1.00 0.00 C ATOM 295 C GLU A 21 5.270 -14.646 6.813 1.00 0.00 C ATOM 296 O GLU A 21 4.494 -14.698 5.858 1.00 0.00 O ATOM 297 CB GLU A 21 4.904 -13.068 8.720 1.00 0.00 C ATOM 298 CG GLU A 21 5.686 -12.298 9.771 1.00 0.00 C ATOM 299 CD GLU A 21 5.220 -12.601 11.182 1.00 0.00 C ATOM 300 OE1 GLU A 21 4.131 -13.193 11.333 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.944 -12.246 12.136 1.00 0.00 O ATOM 0 H GLU A 21 4.541 -11.830 6.498 1.00 0.00 H new ATOM 0 HA GLU A 21 6.753 -13.365 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.994 -12.518 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.596 -14.026 9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.745 -12.541 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.588 -11.229 9.581 1.00 0.00 H new ATOM 308 N PRO A 22 5.793 -15.748 7.370 1.00 0.00 N ATOM 309 CA PRO A 22 5.487 -17.099 6.890 1.00 0.00 C ATOM 310 C PRO A 22 4.050 -17.510 7.194 1.00 0.00 C ATOM 311 O PRO A 22 3.768 -18.087 8.243 1.00 0.00 O ATOM 312 CB PRO A 22 6.470 -17.982 7.664 1.00 0.00 C ATOM 313 CG PRO A 22 6.777 -17.211 8.902 1.00 0.00 C ATOM 314 CD PRO A 22 6.725 -15.760 8.511 1.00 0.00 C ATOM 0 HA PRO A 22 5.583 -17.178 5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.031 -18.951 7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.372 -18.174 7.083 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.053 -17.430 9.687 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.760 -17.475 9.292 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.366 -15.136 9.329 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.709 -15.384 8.230 1.00 0.00 H new ATOM 322 N GLY A 23 3.145 -17.209 6.267 1.00 0.00 N ATOM 323 CA GLY A 23 1.748 -17.555 6.455 1.00 0.00 C ATOM 324 C GLY A 23 0.811 -16.526 5.856 1.00 0.00 C ATOM 325 O GLY A 23 -0.394 -16.759 5.752 1.00 0.00 O ATOM 0 H GLY A 23 3.354 -16.732 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.553 -18.527 6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.541 -17.653 7.521 1.00 0.00 H new ATOM 329 N ASP A 24 1.362 -15.383 5.463 1.00 0.00 N ATOM 330 CA ASP A 24 0.567 -14.313 4.872 1.00 0.00 C ATOM 331 C ASP A 24 0.125 -14.682 3.459 1.00 0.00 C ATOM 332 O ASP A 24 0.842 -15.368 2.731 1.00 0.00 O ATOM 333 CB ASP A 24 1.366 -13.009 4.845 1.00 0.00 C ATOM 334 CG ASP A 24 1.367 -12.304 6.187 1.00 0.00 C ATOM 335 OD1 ASP A 24 0.347 -12.388 6.903 1.00 0.00 O ATOM 336 OD2 ASP A 24 2.388 -11.667 6.522 1.00 0.00 O ATOM 0 H ASP A 24 2.357 -15.173 5.543 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.322 -14.172 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.393 -13.222 4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.947 -12.345 4.089 1.00 0.00 H new ATOM 341 N THR A 25 -1.063 -14.222 3.077 1.00 0.00 N ATOM 342 CA THR A 25 -1.603 -14.505 1.753 1.00 0.00 C ATOM 343 C THR A 25 -2.185 -13.249 1.117 1.00 0.00 C ATOM 344 O THR A 25 -2.578 -12.312 1.814 1.00 0.00 O ATOM 345 CB THR A 25 -2.694 -15.591 1.812 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.436 -15.474 3.031 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.081 -16.980 1.716 1.00 0.00 C ATOM 0 H THR A 25 -1.669 -13.652 3.666 1.00 0.00 H new ATOM 0 HA THR A 25 -0.774 -14.866 1.144 1.00 0.00 H new ATOM 0 HB THR A 25 -3.364 -15.448 0.964 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.129 -16.167 3.060 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.871 -17.730 1.760 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.542 -17.075 0.773 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.391 -17.131 2.546 1.00 0.00 H new ATOM 355 N LEU A 26 -2.240 -13.234 -0.210 1.00 0.00 N ATOM 356 CA LEU A 26 -2.776 -12.091 -0.941 1.00 0.00 C ATOM 357 C LEU A 26 -4.173 -11.734 -0.445 1.00 0.00 C ATOM 358 O LEU A 26 -4.477 -10.566 -0.204 1.00 0.00 O ATOM 359 CB LEU A 26 -2.817 -12.394 -2.440 1.00 0.00 C ATOM 360 CG LEU A 26 -1.462 -12.500 -3.141 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.588 -13.301 -4.428 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.899 -11.115 -3.426 1.00 0.00 C ATOM 0 H LEU A 26 -1.920 -14.000 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.120 -11.239 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.353 -13.332 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.398 -11.614 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.772 -13.022 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.614 -13.366 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.947 -14.304 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.294 -12.807 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.065 -11.210 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.588 -10.567 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.771 -10.574 -2.488 1.00 0.00 H new ATOM 374 N ALA A 27 -5.018 -12.748 -0.292 1.00 0.00 N ATOM 375 CA ALA A 27 -6.382 -12.541 0.181 1.00 0.00 C ATOM 376 C ALA A 27 -6.392 -11.935 1.580 1.00 0.00 C ATOM 377 O ALA A 27 -7.259 -11.127 1.911 1.00 0.00 O ATOM 378 CB ALA A 27 -7.150 -13.855 0.167 1.00 0.00 C ATOM 0 H ALA A 27 -4.783 -13.721 -0.489 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.872 -11.839 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.167 -13.686 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.181 -14.247 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.653 -14.574 0.818 1.00 0.00 H new ATOM 384 N GLY A 28 -5.422 -12.331 2.399 1.00 0.00 N ATOM 385 CA GLY A 28 -5.339 -11.817 3.753 1.00 0.00 C ATOM 386 C GLY A 28 -4.918 -10.361 3.796 1.00 0.00 C ATOM 387 O GLY A 28 -5.581 -9.534 4.423 1.00 0.00 O ATOM 0 H GLY A 28 -4.693 -12.999 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.308 -11.926 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.627 -12.415 4.322 1.00 0.00 H new ATOM 391 N LEU A 29 -3.812 -10.047 3.131 1.00 0.00 N ATOM 392 CA LEU A 29 -3.302 -8.681 3.096 1.00 0.00 C ATOM 393 C LEU A 29 -4.318 -7.736 2.463 1.00 0.00 C ATOM 394 O LEU A 29 -4.572 -6.647 2.978 1.00 0.00 O ATOM 395 CB LEU A 29 -1.985 -8.627 2.320 1.00 0.00 C ATOM 396 CG LEU A 29 -0.887 -9.580 2.793 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.325 -9.495 1.878 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.495 -9.270 4.230 1.00 0.00 C ATOM 0 H LEU A 29 -3.251 -10.720 2.609 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.125 -8.359 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.195 -8.839 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.600 -7.609 2.368 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.275 -10.598 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.096 -10.180 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.035 -9.767 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.714 -8.477 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.288 -9.958 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.127 -8.246 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.365 -9.384 4.877 1.00 0.00 H new ATOM 410 N ALA A 30 -4.897 -8.161 1.345 1.00 0.00 N ATOM 411 CA ALA A 30 -5.889 -7.355 0.645 1.00 0.00 C ATOM 412 C ALA A 30 -6.901 -6.761 1.619 1.00 0.00 C ATOM 413 O ALA A 30 -7.002 -5.541 1.758 1.00 0.00 O ATOM 414 CB ALA A 30 -6.597 -8.190 -0.412 1.00 0.00 C ATOM 0 H ALA A 30 -4.696 -9.059 0.905 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.371 -6.531 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.335 -7.575 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.867 -8.560 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.096 -9.033 0.065 1.00 0.00 H new ATOM 420 N LEU A 31 -7.650 -7.629 2.289 1.00 0.00 N ATOM 421 CA LEU A 31 -8.655 -7.190 3.250 1.00 0.00 C ATOM 422 C LEU A 31 -7.999 -6.578 4.484 1.00 0.00 C ATOM 423 O LEU A 31 -8.407 -5.516 4.954 1.00 0.00 O ATOM 424 CB LEU A 31 -9.543 -8.366 3.662 1.00 0.00 C ATOM 425 CG LEU A 31 -10.118 -9.205 2.520 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.377 -10.630 2.983 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.397 -8.575 1.988 1.00 0.00 C ATOM 0 H LEU A 31 -7.580 -8.641 2.184 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.270 -6.427 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.964 -9.022 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.372 -7.979 4.255 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.387 -9.234 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.786 -11.212 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.442 -11.080 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.089 -10.621 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.793 -9.185 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.134 -8.515 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.182 -7.573 1.617 1.00 0.00 H new ATOM 439 N LYS A 32 -6.979 -7.253 5.002 1.00 0.00 N ATOM 440 CA LYS A 32 -6.263 -6.774 6.178 1.00 0.00 C ATOM 441 C LYS A 32 -6.164 -5.252 6.173 1.00 0.00 C ATOM 442 O LYS A 32 -6.263 -4.611 7.219 1.00 0.00 O ATOM 443 CB LYS A 32 -4.861 -7.387 6.231 1.00 0.00 C ATOM 444 CG LYS A 32 -4.052 -6.949 7.440 1.00 0.00 C ATOM 445 CD LYS A 32 -2.559 -7.096 7.194 1.00 0.00 C ATOM 446 CE LYS A 32 -1.777 -7.091 8.499 1.00 0.00 C ATOM 447 NZ LYS A 32 -1.695 -8.450 9.102 1.00 0.00 N ATOM 0 H LYS A 32 -6.629 -8.134 4.626 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.821 -7.081 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.948 -8.473 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.320 -7.116 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.282 -5.910 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.339 -7.544 8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.367 -8.025 6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.212 -6.282 6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.771 -6.713 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.252 -6.409 9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.155 -8.404 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.654 -8.801 9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.219 -9.095 8.440 1.00 0.00 H new ATOM 461 N TYR A 33 -5.970 -4.680 4.990 1.00 0.00 N ATOM 462 CA TYR A 33 -5.857 -3.233 4.850 1.00 0.00 C ATOM 463 C TYR A 33 -7.138 -2.641 4.270 1.00 0.00 C ATOM 464 O TYR A 33 -7.889 -1.957 4.964 1.00 0.00 O ATOM 465 CB TYR A 33 -4.668 -2.878 3.956 1.00 0.00 C ATOM 466 CG TYR A 33 -3.326 -3.166 4.591 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.748 -2.267 5.478 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.637 -4.338 4.304 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.522 -2.526 6.060 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.411 -4.605 4.882 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.858 -3.696 5.759 1.00 0.00 C ATOM 472 OH TYR A 33 0.364 -3.959 6.336 1.00 0.00 O ATOM 0 H TYR A 33 -5.888 -5.196 4.114 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.698 -2.808 5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.746 -3.436 3.023 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.720 -1.820 3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.266 -1.350 5.717 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.067 -5.052 3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.086 -1.816 6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.888 -5.521 4.648 1.00 0.00 H new ATOM 0 HH TYR A 33 0.585 -4.906 6.216 1.00 0.00 H new ATOM 482 N GLY A 34 -7.381 -2.909 2.991 1.00 0.00 N ATOM 483 CA GLY A 34 -8.571 -2.397 2.338 1.00 0.00 C ATOM 484 C GLY A 34 -8.414 -2.308 0.832 1.00 0.00 C ATOM 485 O GLY A 34 -8.965 -1.411 0.195 1.00 0.00 O ATOM 0 H GLY A 34 -6.774 -3.472 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.417 -3.042 2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.803 -1.409 2.735 1.00 0.00 H new ATOM 489 N VAL A 35 -7.659 -3.242 0.262 1.00 0.00 N ATOM 490 CA VAL A 35 -7.431 -3.266 -1.178 1.00 0.00 C ATOM 491 C VAL A 35 -7.704 -4.650 -1.755 1.00 0.00 C ATOM 492 O VAL A 35 -8.106 -5.566 -1.037 1.00 0.00 O ATOM 493 CB VAL A 35 -5.988 -2.854 -1.524 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.676 -1.476 -0.960 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.000 -3.888 -1.006 1.00 0.00 C ATOM 0 H VAL A 35 -7.195 -3.992 0.775 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.122 -2.549 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.893 -2.806 -2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.652 -1.202 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.364 -0.745 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.788 -1.493 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.985 -3.581 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.094 -3.971 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.211 -4.854 -1.464 1.00 0.00 H new ATOM 505 N THR A 36 -7.484 -4.797 -3.058 1.00 0.00 N ATOM 506 CA THR A 36 -7.707 -6.069 -3.732 1.00 0.00 C ATOM 507 C THR A 36 -6.387 -6.759 -4.056 1.00 0.00 C ATOM 508 O THR A 36 -5.398 -6.104 -4.384 1.00 0.00 O ATOM 509 CB THR A 36 -8.508 -5.881 -5.035 1.00 0.00 C ATOM 510 OG1 THR A 36 -7.622 -5.557 -6.112 1.00 0.00 O ATOM 511 CG2 THR A 36 -9.547 -4.782 -4.877 1.00 0.00 C ATOM 0 H THR A 36 -7.151 -4.050 -3.667 1.00 0.00 H new ATOM 0 HA THR A 36 -8.281 -6.693 -3.047 1.00 0.00 H new ATOM 0 HB THR A 36 -9.023 -6.816 -5.258 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.138 -5.441 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.100 -4.667 -5.809 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.237 -5.046 -4.076 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.050 -3.843 -4.632 1.00 0.00 H new ATOM 519 N MET A 37 -6.378 -8.084 -3.963 1.00 0.00 N ATOM 520 CA MET A 37 -5.179 -8.863 -4.248 1.00 0.00 C ATOM 521 C MET A 37 -4.529 -8.403 -5.549 1.00 0.00 C ATOM 522 O MET A 37 -3.306 -8.314 -5.645 1.00 0.00 O ATOM 523 CB MET A 37 -5.519 -10.352 -4.332 1.00 0.00 C ATOM 524 CG MET A 37 -6.159 -10.901 -3.068 1.00 0.00 C ATOM 525 SD MET A 37 -7.254 -12.296 -3.393 1.00 0.00 S ATOM 526 CE MET A 37 -6.068 -13.628 -3.553 1.00 0.00 C ATOM 0 H MET A 37 -7.188 -8.641 -3.692 1.00 0.00 H new ATOM 0 HA MET A 37 -4.472 -8.706 -3.434 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.194 -10.515 -5.172 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.608 -10.913 -4.542 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.377 -11.212 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.723 -10.108 -2.577 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.545 -14.485 -4.028 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.228 -13.296 -4.163 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.708 -13.915 -2.565 1.00 0.00 H new ATOM 536 N GLU A 38 -5.357 -8.114 -6.549 1.00 0.00 N ATOM 537 CA GLU A 38 -4.861 -7.665 -7.844 1.00 0.00 C ATOM 538 C GLU A 38 -4.094 -6.352 -7.709 1.00 0.00 C ATOM 539 O GLU A 38 -2.951 -6.242 -8.150 1.00 0.00 O ATOM 540 CB GLU A 38 -6.022 -7.491 -8.827 1.00 0.00 C ATOM 541 CG GLU A 38 -5.584 -7.428 -10.280 1.00 0.00 C ATOM 542 CD GLU A 38 -5.362 -8.802 -10.883 1.00 0.00 C ATOM 543 OE1 GLU A 38 -4.405 -9.485 -10.462 1.00 0.00 O ATOM 544 OE2 GLU A 38 -6.144 -9.193 -11.774 1.00 0.00 O ATOM 0 H GLU A 38 -6.373 -8.183 -6.487 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.180 -8.425 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.720 -8.319 -8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.563 -6.578 -8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.339 -6.898 -10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.663 -6.850 -10.353 1.00 0.00 H new ATOM 551 N GLN A 39 -4.733 -5.361 -7.096 1.00 0.00 N ATOM 552 CA GLN A 39 -4.112 -4.056 -6.903 1.00 0.00 C ATOM 553 C GLN A 39 -2.696 -4.203 -6.356 1.00 0.00 C ATOM 554 O GLN A 39 -1.737 -3.706 -6.948 1.00 0.00 O ATOM 555 CB GLN A 39 -4.953 -3.203 -5.952 1.00 0.00 C ATOM 556 CG GLN A 39 -6.028 -2.389 -6.654 1.00 0.00 C ATOM 557 CD GLN A 39 -6.819 -1.519 -5.697 1.00 0.00 C ATOM 558 OE1 GLN A 39 -6.281 -1.005 -4.717 1.00 0.00 O ATOM 559 NE2 GLN A 39 -8.106 -1.350 -5.978 1.00 0.00 N ATOM 0 H GLN A 39 -5.680 -5.437 -6.725 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.058 -3.560 -7.872 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.425 -3.853 -5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.295 -2.527 -5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.564 -1.759 -7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.709 -3.064 -7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.511 -1.795 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.689 -0.775 -5.370 1.00 0.00 H new ATOM 568 N ILE A 40 -2.572 -4.887 -5.224 1.00 0.00 N ATOM 569 CA ILE A 40 -1.273 -5.100 -4.598 1.00 0.00 C ATOM 570 C ILE A 40 -0.276 -5.692 -5.588 1.00 0.00 C ATOM 571 O ILE A 40 0.835 -5.186 -5.746 1.00 0.00 O ATOM 572 CB ILE A 40 -1.382 -6.031 -3.377 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.351 -5.447 -2.347 1.00 0.00 C ATOM 574 CG2 ILE A 40 -0.011 -6.253 -2.756 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.546 -6.328 -1.133 1.00 0.00 C ATOM 0 H ILE A 40 -3.356 -5.303 -4.721 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.918 -4.124 -4.269 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.770 -6.994 -3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.982 -4.474 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.317 -5.279 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.105 -6.913 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.652 -6.708 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.403 -5.297 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.245 -5.851 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.945 -7.293 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.589 -6.475 -0.633 1.00 0.00 H new ATOM 587 N LYS A 41 -0.682 -6.768 -6.255 1.00 0.00 N ATOM 588 CA LYS A 41 0.174 -7.429 -7.234 1.00 0.00 C ATOM 589 C LYS A 41 0.539 -6.478 -8.369 1.00 0.00 C ATOM 590 O LYS A 41 1.699 -6.093 -8.519 1.00 0.00 O ATOM 591 CB LYS A 41 -0.526 -8.668 -7.798 1.00 0.00 C ATOM 592 CG LYS A 41 -0.825 -9.727 -6.751 1.00 0.00 C ATOM 593 CD LYS A 41 -2.005 -10.594 -7.156 1.00 0.00 C ATOM 594 CE LYS A 41 -1.558 -11.804 -7.961 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.354 -11.470 -9.398 1.00 0.00 N ATOM 0 H LYS A 41 -1.598 -7.201 -6.135 1.00 0.00 H new ATOM 0 HA LYS A 41 1.091 -7.734 -6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.459 -8.364 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.099 -9.105 -8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.055 -10.354 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.036 -9.246 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.537 -10.925 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.707 -10.003 -7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.630 -12.195 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.304 -12.594 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.335 -12.346 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.133 -10.865 -9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.452 -10.966 -9.513 1.00 0.00 H new ATOM 609 N ARG A 42 -0.458 -6.101 -9.163 1.00 0.00 N ATOM 610 CA ARG A 42 -0.240 -5.194 -10.284 1.00 0.00 C ATOM 611 C ARG A 42 0.563 -3.973 -9.847 1.00 0.00 C ATOM 612 O ARG A 42 1.385 -3.456 -10.603 1.00 0.00 O ATOM 613 CB ARG A 42 -1.580 -4.751 -10.876 1.00 0.00 C ATOM 614 CG ARG A 42 -2.327 -5.865 -11.592 1.00 0.00 C ATOM 615 CD ARG A 42 -3.581 -5.344 -12.276 1.00 0.00 C ATOM 616 NE ARG A 42 -3.287 -4.743 -13.574 1.00 0.00 N ATOM 617 CZ ARG A 42 -4.211 -4.204 -14.361 1.00 0.00 C ATOM 618 NH1 ARG A 42 -5.482 -4.190 -13.983 1.00 0.00 N ATOM 619 NH2 ARG A 42 -3.865 -3.676 -15.528 1.00 0.00 N ATOM 0 H ARG A 42 -1.424 -6.409 -9.051 1.00 0.00 H new ATOM 0 HA ARG A 42 0.328 -5.727 -11.046 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.209 -4.358 -10.077 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.406 -3.933 -11.576 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.673 -6.327 -12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.597 -6.642 -10.877 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.289 -6.162 -12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.063 -4.605 -11.635 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.318 -4.737 -13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.752 -4.594 -13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.190 -3.775 -14.589 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.888 -3.684 -15.822 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.576 -3.262 -16.131 1.00 0.00 H new ATOM 633 N ALA A 43 0.320 -3.517 -8.622 1.00 0.00 N ATOM 634 CA ALA A 43 1.021 -2.359 -8.085 1.00 0.00 C ATOM 635 C ALA A 43 2.519 -2.624 -7.979 1.00 0.00 C ATOM 636 O ALA A 43 3.331 -1.708 -8.096 1.00 0.00 O ATOM 637 CB ALA A 43 0.453 -1.981 -6.725 1.00 0.00 C ATOM 0 H ALA A 43 -0.358 -3.933 -7.983 1.00 0.00 H new ATOM 0 HA ALA A 43 0.873 -1.526 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.987 -1.114 -6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.605 -1.740 -6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.570 -2.818 -6.036 1.00 0.00 H new ATOM 643 N ASN A 44 2.878 -3.884 -7.756 1.00 0.00 N ATOM 644 CA ASN A 44 4.279 -4.270 -7.633 1.00 0.00 C ATOM 645 C ASN A 44 4.624 -5.385 -8.615 1.00 0.00 C ATOM 646 O ASN A 44 5.617 -6.093 -8.443 1.00 0.00 O ATOM 647 CB ASN A 44 4.581 -4.723 -6.203 1.00 0.00 C ATOM 648 CG ASN A 44 4.109 -3.721 -5.167 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.204 -2.510 -5.370 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.599 -4.222 -4.048 1.00 0.00 N ATOM 0 H ASN A 44 2.218 -4.655 -7.657 1.00 0.00 H new ATOM 0 HA ASN A 44 4.892 -3.400 -7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.100 -5.684 -6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.654 -4.877 -6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.267 -3.596 -3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.540 -5.232 -3.922 1.00 0.00 H new ATOM 657 N ARG A 45 3.799 -5.535 -9.646 1.00 0.00 N ATOM 658 CA ARG A 45 4.016 -6.564 -10.656 1.00 0.00 C ATOM 659 C ARG A 45 4.639 -7.811 -10.035 1.00 0.00 C ATOM 660 O ARG A 45 5.586 -8.382 -10.578 1.00 0.00 O ATOM 661 CB ARG A 45 4.918 -6.032 -11.771 1.00 0.00 C ATOM 662 CG ARG A 45 6.232 -5.456 -11.269 1.00 0.00 C ATOM 663 CD ARG A 45 7.050 -4.861 -12.404 1.00 0.00 C ATOM 664 NE ARG A 45 7.904 -5.858 -13.044 1.00 0.00 N ATOM 665 CZ ARG A 45 7.491 -6.665 -14.016 1.00 0.00 C ATOM 666 NH1 ARG A 45 6.243 -6.592 -14.456 1.00 0.00 N ATOM 667 NH2 ARG A 45 8.328 -7.546 -14.548 1.00 0.00 N ATOM 0 H ARG A 45 2.974 -4.957 -9.804 1.00 0.00 H new ATOM 0 HA ARG A 45 3.048 -6.833 -11.079 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.129 -6.839 -12.472 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.381 -5.262 -12.324 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.032 -4.688 -10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.808 -6.238 -10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.379 -4.428 -13.146 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.667 -4.049 -12.019 1.00 0.00 H new ATOM 0 HE ARG A 45 8.870 -5.939 -12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.597 -5.916 -14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.928 -7.212 -15.202 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.289 -7.604 -14.211 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.011 -8.165 -15.294 1.00 0.00 H new ATOM 681 N LEU A 46 4.101 -8.230 -8.895 1.00 0.00 N ATOM 682 CA LEU A 46 4.604 -9.410 -8.200 1.00 0.00 C ATOM 683 C LEU A 46 4.271 -10.681 -8.974 1.00 0.00 C ATOM 684 O LEU A 46 4.847 -11.741 -8.725 1.00 0.00 O ATOM 685 CB LEU A 46 4.011 -9.487 -6.791 1.00 0.00 C ATOM 686 CG LEU A 46 4.834 -8.834 -5.680 1.00 0.00 C ATOM 687 CD1 LEU A 46 4.085 -8.890 -4.358 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.192 -9.510 -5.555 1.00 0.00 C ATOM 0 H LEU A 46 3.317 -7.770 -8.432 1.00 0.00 H new ATOM 0 HA LEU A 46 5.688 -9.324 -8.128 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.026 -9.021 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.863 -10.537 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 46 4.994 -7.787 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.686 -8.421 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.137 -8.360 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.894 -9.930 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.764 -9.032 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.053 -10.565 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.733 -9.417 -6.497 1.00 0.00 H new ATOM 700 N TYR A 47 3.340 -10.568 -9.915 1.00 0.00 N ATOM 701 CA TYR A 47 2.931 -11.708 -10.726 1.00 0.00 C ATOM 702 C TYR A 47 4.139 -12.381 -11.370 1.00 0.00 C ATOM 703 O TYR A 47 4.722 -11.859 -12.322 1.00 0.00 O ATOM 704 CB TYR A 47 1.944 -11.264 -11.807 1.00 0.00 C ATOM 705 CG TYR A 47 2.560 -10.368 -12.858 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.692 -9.001 -12.643 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.008 -10.887 -14.066 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.253 -8.179 -13.600 1.00 0.00 C ATOM 709 CE2 TYR A 47 3.572 -10.073 -15.028 1.00 0.00 C ATOM 710 CZ TYR A 47 3.692 -8.719 -14.791 1.00 0.00 C ATOM 711 OH TYR A 47 4.252 -7.904 -15.748 1.00 0.00 O ATOM 0 H TYR A 47 2.855 -9.698 -10.135 1.00 0.00 H new ATOM 0 HA TYR A 47 2.442 -12.430 -10.071 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.528 -12.147 -12.293 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.113 -10.739 -11.335 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.350 -8.575 -11.712 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.913 -11.946 -14.256 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.348 -7.119 -13.417 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.917 -10.494 -15.961 1.00 0.00 H new ATOM 0 HH TYR A 47 4.509 -8.442 -16.526 1.00 0.00 H new ATOM 721 N THR A 48 4.511 -13.544 -10.845 1.00 0.00 N ATOM 722 CA THR A 48 5.649 -14.289 -11.367 1.00 0.00 C ATOM 723 C THR A 48 5.314 -15.768 -11.523 1.00 0.00 C ATOM 724 O THR A 48 4.370 -16.267 -10.912 1.00 0.00 O ATOM 725 CB THR A 48 6.880 -14.147 -10.453 1.00 0.00 C ATOM 726 OG1 THR A 48 6.560 -14.585 -9.128 1.00 0.00 O ATOM 727 CG2 THR A 48 7.361 -12.704 -10.413 1.00 0.00 C ATOM 0 H THR A 48 4.040 -13.990 -10.058 1.00 0.00 H new ATOM 0 HA THR A 48 5.881 -13.867 -12.345 1.00 0.00 H new ATOM 0 HB THR A 48 7.679 -14.769 -10.858 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.603 -15.563 -9.087 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.231 -12.629 -9.761 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.632 -12.383 -11.419 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.565 -12.066 -10.030 1.00 0.00 H new ATOM 735 N ASN A 49 6.094 -16.464 -12.344 1.00 0.00 N ATOM 736 CA ASN A 49 5.879 -17.887 -12.579 1.00 0.00 C ATOM 737 C ASN A 49 5.810 -18.652 -11.261 1.00 0.00 C ATOM 738 O ASN A 49 5.025 -19.590 -11.117 1.00 0.00 O ATOM 739 CB ASN A 49 6.999 -18.455 -13.453 1.00 0.00 C ATOM 740 CG ASN A 49 6.570 -19.699 -14.206 1.00 0.00 C ATOM 741 OD1 ASN A 49 5.883 -19.616 -15.225 1.00 0.00 O ATOM 742 ND2 ASN A 49 6.973 -20.862 -13.707 1.00 0.00 N ATOM 0 H ASN A 49 6.880 -16.066 -12.857 1.00 0.00 H new ATOM 0 HA ASN A 49 4.927 -18.005 -13.097 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.321 -17.695 -14.165 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.860 -18.691 -12.828 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.714 -21.733 -14.171 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.541 -20.884 -12.860 1.00 0.00 H new ATOM 749 N ASP A 50 6.634 -18.244 -10.302 1.00 0.00 N ATOM 750 CA ASP A 50 6.665 -18.890 -8.995 1.00 0.00 C ATOM 751 C ASP A 50 5.957 -18.034 -7.950 1.00 0.00 C ATOM 752 O ASP A 50 5.835 -16.819 -8.107 1.00 0.00 O ATOM 753 CB ASP A 50 8.110 -19.150 -8.566 1.00 0.00 C ATOM 754 CG ASP A 50 9.076 -18.129 -9.133 1.00 0.00 C ATOM 755 OD1 ASP A 50 8.685 -16.950 -9.261 1.00 0.00 O ATOM 756 OD2 ASP A 50 10.223 -18.508 -9.451 1.00 0.00 O ATOM 0 H ASP A 50 7.289 -17.469 -10.405 1.00 0.00 H new ATOM 0 HA ASP A 50 6.141 -19.842 -9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.170 -19.137 -7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.408 -20.147 -8.890 1.00 0.00 H new ATOM 761 N SER A 51 5.492 -18.676 -6.883 1.00 0.00 N ATOM 762 CA SER A 51 4.791 -17.975 -5.814 1.00 0.00 C ATOM 763 C SER A 51 5.490 -16.661 -5.476 1.00 0.00 C ATOM 764 O SER A 51 6.631 -16.431 -5.880 1.00 0.00 O ATOM 765 CB SER A 51 4.707 -18.856 -4.566 1.00 0.00 C ATOM 766 OG SER A 51 3.803 -19.930 -4.760 1.00 0.00 O ATOM 0 H SER A 51 5.588 -19.681 -6.736 1.00 0.00 H new ATOM 0 HA SER A 51 3.782 -17.752 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.696 -19.247 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.386 -18.256 -3.714 1.00 0.00 H new ATOM 0 HG SER A 51 3.768 -20.479 -3.949 1.00 0.00 H new ATOM 772 N ILE A 52 4.799 -15.804 -4.733 1.00 0.00 N ATOM 773 CA ILE A 52 5.353 -14.514 -4.340 1.00 0.00 C ATOM 774 C ILE A 52 6.196 -14.641 -3.076 1.00 0.00 C ATOM 775 O ILE A 52 7.092 -13.832 -2.831 1.00 0.00 O ATOM 776 CB ILE A 52 4.243 -13.474 -4.101 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.231 -14.001 -3.081 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.551 -13.127 -5.411 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.440 -12.909 -2.396 1.00 0.00 C ATOM 0 H ILE A 52 3.854 -15.979 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 52 5.984 -14.177 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 52 4.696 -12.567 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.540 -14.679 -3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.758 -14.585 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.769 -12.391 -5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.279 -12.715 -6.109 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.108 -14.027 -5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.743 -13.355 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.122 -12.244 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.885 -12.340 -3.141 1.00 0.00 H new ATOM 791 N PHE A 53 5.906 -15.662 -2.277 1.00 0.00 N ATOM 792 CA PHE A 53 6.638 -15.896 -1.038 1.00 0.00 C ATOM 793 C PHE A 53 8.143 -15.787 -1.267 1.00 0.00 C ATOM 794 O PHE A 53 8.906 -15.522 -0.337 1.00 0.00 O ATOM 795 CB PHE A 53 6.296 -17.275 -0.471 1.00 0.00 C ATOM 796 CG PHE A 53 5.056 -17.284 0.376 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.087 -16.811 1.678 1.00 0.00 C ATOM 798 CD2 PHE A 53 3.859 -17.766 -0.129 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.947 -16.817 2.460 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.716 -17.774 0.648 1.00 0.00 C ATOM 801 CZ PHE A 53 2.761 -17.301 1.945 1.00 0.00 C ATOM 0 H PHE A 53 5.169 -16.341 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 53 6.341 -15.132 -0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.168 -17.977 -1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.136 -17.633 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.013 -16.433 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.819 -18.140 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.984 -16.443 3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.789 -18.150 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.870 -17.310 2.555 1.00 0.00 H new ATOM 811 N LEU A 54 8.563 -15.993 -2.510 1.00 0.00 N ATOM 812 CA LEU A 54 9.976 -15.918 -2.863 1.00 0.00 C ATOM 813 C LEU A 54 10.599 -14.625 -2.347 1.00 0.00 C ATOM 814 O LEU A 54 11.737 -14.615 -1.879 1.00 0.00 O ATOM 815 CB LEU A 54 10.149 -16.011 -4.380 1.00 0.00 C ATOM 816 CG LEU A 54 9.637 -17.294 -5.036 1.00 0.00 C ATOM 817 CD1 LEU A 54 9.843 -17.241 -6.542 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.332 -18.511 -4.443 1.00 0.00 C ATOM 0 H LEU A 54 7.945 -16.213 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 54 10.487 -16.758 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.637 -15.164 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.209 -15.906 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 54 8.568 -17.379 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.473 -18.162 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.299 -16.391 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.905 -17.132 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.955 -19.415 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.406 -18.433 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.133 -18.558 -3.372 1.00 0.00 H new ATOM 830 N LYS A 55 9.844 -13.535 -2.434 1.00 0.00 N ATOM 831 CA LYS A 55 10.318 -12.236 -1.973 1.00 0.00 C ATOM 832 C LYS A 55 10.504 -12.230 -0.459 1.00 0.00 C ATOM 833 O LYS A 55 10.306 -13.248 0.205 1.00 0.00 O ATOM 834 CB LYS A 55 9.335 -11.137 -2.381 1.00 0.00 C ATOM 835 CG LYS A 55 9.089 -11.066 -3.878 1.00 0.00 C ATOM 836 CD LYS A 55 10.143 -10.225 -4.578 1.00 0.00 C ATOM 837 CE LYS A 55 9.685 -9.796 -5.963 1.00 0.00 C ATOM 838 NZ LYS A 55 10.576 -8.754 -6.544 1.00 0.00 N ATOM 0 H LYS A 55 8.900 -13.526 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 55 11.284 -12.043 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.385 -11.304 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.716 -10.175 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.090 -12.073 -4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.102 -10.644 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.364 -9.343 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.069 -10.795 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.662 -10.663 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.666 -9.412 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.230 -8.488 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.578 -7.916 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.543 -9.129 -6.622 1.00 0.00 H new ATOM 852 N LYS A 56 10.883 -11.077 0.082 1.00 0.00 N ATOM 853 CA LYS A 56 11.092 -10.937 1.518 1.00 0.00 C ATOM 854 C LYS A 56 10.090 -9.958 2.121 1.00 0.00 C ATOM 855 O LYS A 56 9.429 -10.263 3.115 1.00 0.00 O ATOM 856 CB LYS A 56 12.519 -10.463 1.803 1.00 0.00 C ATOM 857 CG LYS A 56 13.583 -11.486 1.446 1.00 0.00 C ATOM 858 CD LYS A 56 13.716 -12.551 2.521 1.00 0.00 C ATOM 859 CE LYS A 56 15.065 -13.249 2.451 1.00 0.00 C ATOM 860 NZ LYS A 56 15.210 -14.052 1.206 1.00 0.00 N ATOM 0 H LYS A 56 11.052 -10.225 -0.453 1.00 0.00 H new ATOM 0 HA LYS A 56 10.941 -11.913 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.707 -9.546 1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.606 -10.215 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.332 -11.957 0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.541 -10.984 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.592 -12.095 3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.919 -13.286 2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.861 -12.506 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.183 -13.899 3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.143 -14.512 1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.466 -14.778 1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.123 -13.428 0.378 1.00 0.00 H new ATOM 874 N THR A 57 9.979 -8.781 1.513 1.00 0.00 N ATOM 875 CA THR A 57 9.057 -7.758 1.990 1.00 0.00 C ATOM 876 C THR A 57 8.163 -7.256 0.862 1.00 0.00 C ATOM 877 O THR A 57 8.623 -7.042 -0.261 1.00 0.00 O ATOM 878 CB THR A 57 9.812 -6.563 2.602 1.00 0.00 C ATOM 879 OG1 THR A 57 11.090 -6.417 1.974 1.00 0.00 O ATOM 880 CG2 THR A 57 9.996 -6.750 4.101 1.00 0.00 C ATOM 0 H THR A 57 10.517 -8.513 0.689 1.00 0.00 H new ATOM 0 HA THR A 57 8.440 -8.222 2.760 1.00 0.00 H new ATOM 0 HB THR A 57 9.221 -5.663 2.434 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.563 -5.654 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.532 -5.894 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.020 -6.831 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.568 -7.659 4.287 1.00 0.00 H new ATOM 888 N LEU A 58 6.884 -7.068 1.167 1.00 0.00 N ATOM 889 CA LEU A 58 5.924 -6.589 0.178 1.00 0.00 C ATOM 890 C LEU A 58 5.256 -5.300 0.647 1.00 0.00 C ATOM 891 O LEU A 58 4.769 -5.216 1.775 1.00 0.00 O ATOM 892 CB LEU A 58 4.863 -7.658 -0.091 1.00 0.00 C ATOM 893 CG LEU A 58 5.333 -8.892 -0.862 1.00 0.00 C ATOM 894 CD1 LEU A 58 4.143 -9.675 -1.394 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.260 -8.489 -1.999 1.00 0.00 C ATOM 0 H LEU A 58 6.487 -7.240 2.091 1.00 0.00 H new ATOM 0 HA LEU A 58 6.464 -6.381 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.455 -7.985 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.045 -7.198 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 58 5.887 -9.534 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.497 -10.549 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.517 -9.996 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.560 -9.042 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.585 -9.380 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.730 -7.825 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.130 -7.973 -1.593 1.00 0.00 H new ATOM 907 N TYR A 59 5.236 -4.300 -0.226 1.00 0.00 N ATOM 908 CA TYR A 59 4.628 -3.015 0.098 1.00 0.00 C ATOM 909 C TYR A 59 3.118 -3.056 -0.118 1.00 0.00 C ATOM 910 O TYR A 59 2.626 -3.757 -1.003 1.00 0.00 O ATOM 911 CB TYR A 59 5.247 -1.905 -0.753 1.00 0.00 C ATOM 912 CG TYR A 59 6.682 -2.173 -1.147 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.585 -2.705 -0.236 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.133 -1.894 -2.432 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.898 -2.950 -0.592 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.443 -2.138 -2.797 1.00 0.00 C ATOM 917 CZ TYR A 59 9.322 -2.665 -1.873 1.00 0.00 C ATOM 918 OH TYR A 59 10.627 -2.910 -2.232 1.00 0.00 O ATOM 0 H TYR A 59 5.634 -4.354 -1.164 1.00 0.00 H new ATOM 0 HA TYR A 59 4.820 -2.806 1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.650 -1.775 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.200 -0.966 -0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.256 -2.931 0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.448 -1.480 -3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.588 -3.362 0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.777 -1.917 -3.800 1.00 0.00 H new ATOM 0 HH TYR A 59 10.762 -2.655 -3.169 1.00 0.00 H new ATOM 928 N ILE A 60 2.390 -2.299 0.695 1.00 0.00 N ATOM 929 CA ILE A 60 0.937 -2.247 0.592 1.00 0.00 C ATOM 930 C ILE A 60 0.460 -0.839 0.251 1.00 0.00 C ATOM 931 O ILE A 60 0.733 0.126 0.965 1.00 0.00 O ATOM 932 CB ILE A 60 0.263 -2.701 1.900 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.704 -4.121 2.260 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.251 -2.628 1.770 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.092 -5.186 1.378 1.00 0.00 C ATOM 0 H ILE A 60 2.782 -1.713 1.432 1.00 0.00 H new ATOM 0 HA ILE A 60 0.653 -2.929 -0.210 1.00 0.00 H new ATOM 0 HB ILE A 60 0.572 -2.030 2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.790 -4.184 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.438 -4.323 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.712 -2.952 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.549 -1.602 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.578 -3.278 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.449 -6.167 1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.994 -5.151 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.379 -5.009 0.341 1.00 0.00 H new ATOM 947 N PRO A 61 -0.271 -0.717 -0.867 1.00 0.00 N ATOM 948 CA PRO A 61 -0.804 0.569 -1.328 1.00 0.00 C ATOM 949 C PRO A 61 -1.916 1.092 -0.426 1.00 0.00 C ATOM 950 O PRO A 61 -2.970 0.469 -0.299 1.00 0.00 O ATOM 951 CB PRO A 61 -1.352 0.246 -2.720 1.00 0.00 C ATOM 952 CG PRO A 61 -1.661 -1.210 -2.678 1.00 0.00 C ATOM 953 CD PRO A 61 -0.635 -1.825 -1.766 1.00 0.00 C ATOM 0 HA PRO A 61 -0.044 1.351 -1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.243 0.833 -2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.621 0.473 -3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.670 -1.384 -2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.610 -1.649 -3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.043 -2.672 -1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.228 -2.192 -2.321 1.00 0.00 H new ATOM 961 N ILE A 62 -1.674 2.240 0.198 1.00 0.00 N ATOM 962 CA ILE A 62 -2.657 2.848 1.087 1.00 0.00 C ATOM 963 C ILE A 62 -3.497 3.886 0.351 1.00 0.00 C ATOM 964 O ILE A 62 -2.993 4.935 -0.053 1.00 0.00 O ATOM 965 CB ILE A 62 -1.982 3.516 2.299 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.823 2.654 2.805 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.997 3.751 3.408 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.506 2.995 2.167 1.00 0.00 C ATOM 0 H ILE A 62 -0.806 2.768 0.105 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.304 2.044 1.439 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.583 4.481 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.739 2.770 3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.050 1.605 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.505 4.224 4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.792 4.401 3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.423 2.797 3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.282 2.345 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.439 2.851 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.756 4.034 2.380 1.00 0.00 H new