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= -7.01! C(o=-5.4!,f=-6.6!) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -156:sc= 1.64 (180deg=0.967) USER MOD Set 1.3: A 33 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00336 K(o=-0.0034,f=-1.1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 37 MET CE :methyl -119:sc= -0.991 (180deg=-1.42) USER MOD Single : A 39 GLN : amide:sc= -0.0489 X(o=-0.049,f=-0.32) USER MOD Single : A 41 LYS NZ :NH3+ -155:sc=-0.000561 (180deg=-0.663) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 49 ASN :FLIP amide:sc= 0.128 F(o=-1.1,f=0.13) 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 3.542 3.901 -0.149 1.00 0.00 N ATOM 182 CA ARG A 15 3.343 2.479 0.104 1.00 0.00 C ATOM 183 C ARG A 15 3.985 2.067 1.425 1.00 0.00 C ATOM 184 O ARG A 15 5.134 2.414 1.705 1.00 0.00 O ATOM 185 CB ARG A 15 3.927 1.648 -1.040 1.00 0.00 C ATOM 186 CG ARG A 15 3.192 0.340 -1.279 1.00 0.00 C ATOM 187 CD ARG A 15 3.487 -0.220 -2.662 1.00 0.00 C ATOM 188 NE ARG A 15 3.071 0.694 -3.723 1.00 0.00 N ATOM 189 CZ ARG A 15 3.866 1.619 -4.250 1.00 0.00 C ATOM 190 NH1 ARG A 15 5.113 1.751 -3.817 1.00 0.00 N ATOM 191 NH2 ARG A 15 3.415 2.413 -5.212 1.00 0.00 N ATOM 0 HA ARG A 15 2.271 2.294 0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.906 2.240 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.973 1.433 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.484 -0.387 -0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.119 0.499 -1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.555 -0.418 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.974 -1.174 -2.784 1.00 0.00 H new ATOM 0 HE ARG A 15 2.118 0.618 -4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.463 1.142 -3.078 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.721 2.462 -4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.457 2.314 -5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.026 3.123 -5.616 1.00 0.00 H new ATOM 205 N LEU A 16 3.237 1.326 2.235 1.00 0.00 N ATOM 206 CA LEU A 16 3.733 0.867 3.528 1.00 0.00 C ATOM 207 C LEU A 16 4.403 -0.498 3.401 1.00 0.00 C ATOM 208 O LEU A 16 4.075 -1.280 2.510 1.00 0.00 O ATOM 209 CB LEU A 16 2.587 0.792 4.539 1.00 0.00 C ATOM 210 CG LEU A 16 2.833 -0.081 5.769 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.813 0.595 6.716 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.522 -0.381 6.481 1.00 0.00 C ATOM 0 H LEU A 16 2.285 1.030 2.019 1.00 0.00 H new ATOM 0 HA LEU A 16 4.474 1.584 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.360 1.803 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.700 0.420 4.026 1.00 0.00 H new ATOM 0 HG LEU A 16 3.269 -1.024 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.976 -0.041 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.761 0.758 6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.405 1.553 7.038 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.716 -1.004 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.058 0.553 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.851 -0.908 5.802 1.00 0.00 H new ATOM 224 N GLU A 17 5.342 -0.776 4.299 1.00 0.00 N ATOM 225 CA GLU A 17 6.057 -2.047 4.287 1.00 0.00 C ATOM 226 C GLU A 17 5.360 -3.072 5.178 1.00 0.00 C ATOM 227 O GLU A 17 4.887 -2.745 6.267 1.00 0.00 O ATOM 228 CB GLU A 17 7.502 -1.850 4.752 1.00 0.00 C ATOM 229 CG GLU A 17 8.467 -2.881 4.193 1.00 0.00 C ATOM 230 CD GLU A 17 9.730 -3.008 5.022 1.00 0.00 C ATOM 231 OE1 GLU A 17 9.618 -3.255 6.241 1.00 0.00 O ATOM 232 OE2 GLU A 17 10.831 -2.860 4.451 1.00 0.00 O ATOM 0 H GLU A 17 5.625 -0.139 5.044 1.00 0.00 H new ATOM 0 HA GLU A 17 6.060 -2.423 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.837 -0.855 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.533 -1.889 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.970 -3.850 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.733 -2.608 3.172 1.00 0.00 H new ATOM 239 N HIS A 18 5.300 -4.313 4.707 1.00 0.00 N ATOM 240 CA HIS A 18 4.661 -5.387 5.460 1.00 0.00 C ATOM 241 C HIS A 18 5.571 -6.609 5.542 1.00 0.00 C ATOM 242 O HIS A 18 5.912 -7.209 4.523 1.00 0.00 O ATOM 243 CB HIS A 18 3.330 -5.770 4.813 1.00 0.00 C ATOM 244 CG HIS A 18 2.756 -7.050 5.337 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.640 -7.099 6.146 1.00 0.00 N ATOM 246 CD2 HIS A 18 3.148 -8.333 5.161 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.372 -8.357 6.447 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.272 -9.126 5.861 1.00 0.00 N ATOM 0 H HIS A 18 5.686 -4.600 3.808 1.00 0.00 H new ATOM 0 HA HIS A 18 4.474 -5.027 6.472 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.612 -4.966 4.975 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.471 -5.859 3.736 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.992 -8.671 4.579 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.556 -8.699 7.067 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.310 -10.144 5.919 1.00 0.00 H new ATOM 257 N GLN A 19 5.960 -6.970 6.761 1.00 0.00 N ATOM 258 CA GLN A 19 6.831 -8.120 6.975 1.00 0.00 C ATOM 259 C GLN A 19 6.163 -9.405 6.498 1.00 0.00 C ATOM 260 O GLN A 19 5.451 -10.065 7.256 1.00 0.00 O ATOM 261 CB GLN A 19 7.197 -8.240 8.455 1.00 0.00 C ATOM 262 CG GLN A 19 8.484 -7.519 8.823 1.00 0.00 C ATOM 263 CD GLN A 19 8.635 -7.324 10.319 1.00 0.00 C ATOM 264 OE1 GLN A 19 7.827 -7.817 11.106 1.00 0.00 O ATOM 265 NE2 GLN A 19 9.676 -6.603 10.720 1.00 0.00 N ATOM 0 H GLN A 19 5.686 -6.483 7.614 1.00 0.00 H new ATOM 0 HA GLN A 19 7.741 -7.968 6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.381 -7.839 9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.295 -9.295 8.712 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.335 -8.087 8.447 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.506 -6.547 8.330 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.321 -6.213 10.033 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.830 -6.439 11.715 1.00 0.00 H new ATOM 274 N LEU A 20 6.396 -9.755 5.238 1.00 0.00 N ATOM 275 CA LEU A 20 5.817 -10.962 4.659 1.00 0.00 C ATOM 276 C LEU A 20 6.216 -12.196 5.460 1.00 0.00 C ATOM 277 O LEU A 20 7.390 -12.561 5.511 1.00 0.00 O ATOM 278 CB LEU A 20 6.262 -11.118 3.204 1.00 0.00 C ATOM 279 CG LEU A 20 5.346 -11.951 2.307 1.00 0.00 C ATOM 280 CD1 LEU A 20 4.198 -11.102 1.781 1.00 0.00 C ATOM 281 CD2 LEU A 20 6.134 -12.557 1.155 1.00 0.00 C ATOM 0 H LEU A 20 6.982 -9.220 4.597 1.00 0.00 H new ATOM 0 HA LEU A 20 4.732 -10.866 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.360 -10.124 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.254 -11.569 3.195 1.00 0.00 H new ATOM 0 HG LEU A 20 4.928 -12.763 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.557 -11.712 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.617 -10.716 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.597 -10.269 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.466 -13.146 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.581 -11.760 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.921 -13.199 1.551 1.00 0.00 H new ATOM 293 N GLU A 21 5.231 -12.836 6.084 1.00 0.00 N ATOM 294 CA GLU A 21 5.482 -14.030 6.882 1.00 0.00 C ATOM 295 C GLU A 21 5.346 -15.290 6.032 1.00 0.00 C ATOM 296 O GLU A 21 4.697 -15.297 4.985 1.00 0.00 O ATOM 297 CB GLU A 21 4.512 -14.093 8.064 1.00 0.00 C ATOM 298 CG GLU A 21 5.017 -13.373 9.303 1.00 0.00 C ATOM 299 CD GLU A 21 3.935 -13.185 10.350 1.00 0.00 C ATOM 300 OE1 GLU A 21 3.713 -14.119 11.148 1.00 0.00 O ATOM 301 OE2 GLU A 21 3.312 -12.103 10.370 1.00 0.00 O ATOM 0 H GLU A 21 4.253 -12.547 6.052 1.00 0.00 H new ATOM 0 HA GLU A 21 6.503 -13.975 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.558 -13.658 7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.322 -15.137 8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.842 -13.938 9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.413 -12.399 9.016 1.00 0.00 H new ATOM 308 N PRO A 22 5.974 -16.383 6.491 1.00 0.00 N ATOM 309 CA PRO A 22 5.940 -17.669 5.789 1.00 0.00 C ATOM 310 C PRO A 22 4.561 -18.320 5.839 1.00 0.00 C ATOM 311 O PRO A 22 4.348 -19.389 5.269 1.00 0.00 O ATOM 312 CB PRO A 22 6.960 -18.518 6.552 1.00 0.00 C ATOM 313 CG PRO A 22 7.005 -17.920 7.916 1.00 0.00 C ATOM 314 CD PRO A 22 6.766 -16.447 7.731 1.00 0.00 C ATOM 0 HA PRO A 22 6.165 -17.560 4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.656 -19.564 6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.939 -18.486 6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.244 -18.361 8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.969 -18.102 8.390 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.226 -16.018 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.702 -15.896 7.639 1.00 0.00 H new ATOM 322 N GLY A 23 3.628 -17.667 6.525 1.00 0.00 N ATOM 323 CA GLY A 23 2.282 -18.198 6.637 1.00 0.00 C ATOM 324 C GLY A 23 1.223 -17.169 6.293 1.00 0.00 C ATOM 325 O GLY A 23 0.105 -17.225 6.805 1.00 0.00 O ATOM 0 H GLY A 23 3.780 -16.780 7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.178 -19.058 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.119 -18.557 7.653 1.00 0.00 H new ATOM 329 N ASP A 24 1.576 -16.226 5.426 1.00 0.00 N ATOM 330 CA ASP A 24 0.647 -15.180 5.016 1.00 0.00 C ATOM 331 C ASP A 24 0.057 -15.485 3.642 1.00 0.00 C ATOM 332 O ASP A 24 0.562 -16.339 2.913 1.00 0.00 O ATOM 333 CB ASP A 24 1.353 -13.823 4.992 1.00 0.00 C ATOM 334 CG ASP A 24 1.314 -13.126 6.337 1.00 0.00 C ATOM 335 OD1 ASP A 24 1.187 -13.825 7.365 1.00 0.00 O ATOM 336 OD2 ASP A 24 1.410 -11.881 6.363 1.00 0.00 O ATOM 0 H ASP A 24 2.498 -16.165 4.994 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.166 -15.145 5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.391 -13.962 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.884 -13.186 4.242 1.00 0.00 H new ATOM 341 N THR A 25 -1.016 -14.781 3.295 1.00 0.00 N ATOM 342 CA THR A 25 -1.676 -14.978 2.011 1.00 0.00 C ATOM 343 C THR A 25 -2.056 -13.644 1.378 1.00 0.00 C ATOM 344 O THR A 25 -2.378 -12.682 2.077 1.00 0.00 O ATOM 345 CB THR A 25 -2.943 -15.842 2.157 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.870 -15.207 3.044 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.595 -17.226 2.684 1.00 0.00 C ATOM 0 H THR A 25 -1.446 -14.069 3.886 1.00 0.00 H new ATOM 0 HA THR A 25 -0.965 -15.494 1.366 1.00 0.00 H new ATOM 0 HB THR A 25 -3.399 -15.949 1.173 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.673 -15.762 3.130 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.505 -17.819 2.779 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.912 -17.718 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.118 -17.134 3.660 1.00 0.00 H new ATOM 355 N LEU A 26 -2.016 -13.592 0.051 1.00 0.00 N ATOM 356 CA LEU A 26 -2.356 -12.375 -0.678 1.00 0.00 C ATOM 357 C LEU A 26 -3.699 -11.820 -0.214 1.00 0.00 C ATOM 358 O LEU A 26 -3.803 -10.654 0.164 1.00 0.00 O ATOM 359 CB LEU A 26 -2.398 -12.651 -2.181 1.00 0.00 C ATOM 360 CG LEU A 26 -1.062 -12.553 -2.919 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.067 -13.443 -4.153 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.770 -11.109 -3.302 1.00 0.00 C ATOM 0 H LEU A 26 -1.751 -14.379 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.585 -11.632 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.803 -13.651 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.096 -11.950 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.273 -12.898 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.108 -13.360 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.231 -14.478 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.866 -13.129 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.184 -11.057 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.562 -10.738 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.723 -10.496 -2.402 1.00 0.00 H new ATOM 374 N ALA A 27 -4.725 -12.665 -0.243 1.00 0.00 N ATOM 375 CA ALA A 27 -6.060 -12.261 0.178 1.00 0.00 C ATOM 376 C ALA A 27 -6.029 -11.619 1.561 1.00 0.00 C ATOM 377 O ALA A 27 -6.630 -10.569 1.782 1.00 0.00 O ATOM 378 CB ALA A 27 -7.000 -13.458 0.172 1.00 0.00 C ATOM 0 H ALA A 27 -4.656 -13.634 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.428 -11.519 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.994 -13.142 0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.055 -13.873 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.626 -14.218 0.858 1.00 0.00 H new ATOM 384 N GLY A 28 -5.323 -12.257 2.490 1.00 0.00 N ATOM 385 CA GLY A 28 -5.227 -11.733 3.839 1.00 0.00 C ATOM 386 C GLY A 28 -4.871 -10.260 3.865 1.00 0.00 C ATOM 387 O GLY A 28 -5.600 -9.448 4.437 1.00 0.00 O ATOM 0 H GLY A 28 -4.816 -13.128 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.177 -11.883 4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.474 -12.295 4.391 1.00 0.00 H new ATOM 391 N LEU A 29 -3.747 -9.914 3.247 1.00 0.00 N ATOM 392 CA LEU A 29 -3.295 -8.528 3.203 1.00 0.00 C ATOM 393 C LEU A 29 -4.353 -7.629 2.573 1.00 0.00 C ATOM 394 O LEU A 29 -4.748 -6.617 3.152 1.00 0.00 O ATOM 395 CB LEU A 29 -1.986 -8.423 2.417 1.00 0.00 C ATOM 396 CG LEU A 29 -0.843 -9.319 2.894 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.164 -9.540 1.776 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.164 -8.714 4.114 1.00 0.00 C ATOM 0 H LEU A 29 -3.132 -10.574 2.770 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.125 -8.195 4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.193 -8.657 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.647 -7.387 2.451 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.259 -10.286 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.970 -10.180 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.330 -10.018 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.575 -8.581 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.647 -9.365 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.238 -7.734 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.890 -8.609 4.920 1.00 0.00 H new ATOM 410 N ALA A 30 -4.811 -8.006 1.383 1.00 0.00 N ATOM 411 CA ALA A 30 -5.827 -7.237 0.676 1.00 0.00 C ATOM 412 C ALA A 30 -6.875 -6.694 1.641 1.00 0.00 C ATOM 413 O ALA A 30 -7.045 -5.481 1.771 1.00 0.00 O ATOM 414 CB ALA A 30 -6.486 -8.093 -0.396 1.00 0.00 C ATOM 0 H ALA A 30 -4.494 -8.840 0.889 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.338 -6.388 0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.243 -7.506 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.732 -8.427 -1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.955 -8.960 0.068 1.00 0.00 H new ATOM 420 N LEU A 31 -7.576 -7.598 2.316 1.00 0.00 N ATOM 421 CA LEU A 31 -8.609 -7.210 3.270 1.00 0.00 C ATOM 422 C LEU A 31 -7.995 -6.536 4.493 1.00 0.00 C ATOM 423 O LEU A 31 -8.443 -5.472 4.919 1.00 0.00 O ATOM 424 CB LEU A 31 -9.419 -8.434 3.701 1.00 0.00 C ATOM 425 CG LEU A 31 -10.006 -9.282 2.571 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.140 -10.732 3.007 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.354 -8.728 2.134 1.00 0.00 C ATOM 0 H LEU A 31 -7.448 -8.605 2.220 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.272 -6.497 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.780 -9.071 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.237 -8.098 4.338 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.326 -9.241 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.559 -11.320 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.158 -11.125 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.799 -10.792 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.757 -9.343 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.043 -8.738 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.229 -7.705 1.780 1.00 0.00 H new ATOM 439 N LYS A 32 -6.966 -7.162 5.053 1.00 0.00 N ATOM 440 CA LYS A 32 -6.287 -6.623 6.225 1.00 0.00 C ATOM 441 C LYS A 32 -6.208 -5.101 6.156 1.00 0.00 C ATOM 442 O LYS A 32 -6.270 -4.419 7.179 1.00 0.00 O ATOM 443 CB LYS A 32 -4.879 -7.212 6.340 1.00 0.00 C ATOM 444 CG LYS A 32 -4.145 -6.790 7.601 1.00 0.00 C ATOM 445 CD LYS A 32 -2.645 -6.994 7.468 1.00 0.00 C ATOM 446 CE LYS A 32 -1.889 -6.335 8.612 1.00 0.00 C ATOM 447 NZ LYS A 32 -1.752 -4.866 8.412 1.00 0.00 N ATOM 0 H LYS A 32 -6.583 -8.044 4.714 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.864 -6.900 7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.946 -8.300 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.295 -6.909 5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.353 -5.741 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.517 -7.364 8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.422 -8.061 7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.303 -6.581 6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.410 -6.527 9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.899 -6.784 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.930 -4.518 8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.619 -4.664 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.612 -4.388 8.750 1.00 0.00 H new ATOM 461 N TYR A 33 -6.073 -4.575 4.943 1.00 0.00 N ATOM 462 CA TYR A 33 -5.986 -3.133 4.741 1.00 0.00 C ATOM 463 C TYR A 33 -7.275 -2.589 4.134 1.00 0.00 C ATOM 464 O TYR A 33 -7.721 -1.494 4.475 1.00 0.00 O ATOM 465 CB TYR A 33 -4.800 -2.795 3.836 1.00 0.00 C ATOM 466 CG TYR A 33 -3.456 -2.976 4.505 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.871 -4.232 4.607 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.771 -1.890 5.035 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.644 -4.401 5.218 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.543 -2.049 5.647 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.984 -3.307 5.737 1.00 0.00 C ATOM 472 OH TYR A 33 0.239 -3.472 6.345 1.00 0.00 O ATOM 0 H TYR A 33 -6.021 -5.125 4.086 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.838 -2.664 5.714 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.841 -3.424 2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.893 -1.762 3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.385 -5.091 4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.206 -0.904 4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.204 -5.385 5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.023 -1.193 6.053 1.00 0.00 H new ATOM 0 HH TYR A 33 0.706 -4.233 5.940 1.00 0.00 H new ATOM 482 N GLY A 34 -7.870 -3.364 3.232 1.00 0.00 N ATOM 483 CA GLY A 34 -9.102 -2.944 2.591 1.00 0.00 C ATOM 484 C GLY A 34 -9.029 -3.031 1.080 1.00 0.00 C ATOM 485 O GLY A 34 -10.048 -2.945 0.395 1.00 0.00 O ATOM 0 H GLY A 34 -7.521 -4.275 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.924 -3.565 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.328 -1.918 2.882 1.00 0.00 H new ATOM 489 N VAL A 35 -7.819 -3.200 0.556 1.00 0.00 N ATOM 490 CA VAL A 35 -7.615 -3.298 -0.884 1.00 0.00 C ATOM 491 C VAL A 35 -7.730 -4.742 -1.359 1.00 0.00 C ATOM 492 O VAL A 35 -7.935 -5.656 -0.559 1.00 0.00 O ATOM 493 CB VAL A 35 -6.240 -2.741 -1.296 1.00 0.00 C ATOM 494 CG1 VAL A 35 -6.065 -1.318 -0.789 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.126 -3.640 -0.780 1.00 0.00 C ATOM 0 H VAL A 35 -6.964 -3.272 1.108 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.396 -2.701 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.187 -2.722 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.087 -0.942 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.844 -0.683 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.138 -1.308 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.161 -3.232 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.175 -3.693 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.243 -4.640 -1.198 1.00 0.00 H new ATOM 505 N THR A 36 -7.596 -4.942 -2.666 1.00 0.00 N ATOM 506 CA THR A 36 -7.685 -6.275 -3.248 1.00 0.00 C ATOM 507 C THR A 36 -6.303 -6.819 -3.591 1.00 0.00 C ATOM 508 O THR A 36 -5.357 -6.057 -3.786 1.00 0.00 O ATOM 509 CB THR A 36 -8.554 -6.277 -4.520 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.301 -7.460 -5.285 1.00 0.00 O ATOM 511 CG2 THR A 36 -8.272 -5.047 -5.369 1.00 0.00 C ATOM 0 H THR A 36 -7.425 -4.197 -3.342 1.00 0.00 H new ATOM 0 HA THR A 36 -8.150 -6.916 -2.498 1.00 0.00 H new ATOM 0 HB THR A 36 -9.601 -6.258 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.859 -7.454 -6.091 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.897 -5.070 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.495 -4.149 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.222 -5.040 -5.661 1.00 0.00 H new ATOM 519 N MET A 37 -6.193 -8.142 -3.664 1.00 0.00 N ATOM 520 CA MET A 37 -4.925 -8.787 -3.986 1.00 0.00 C ATOM 521 C MET A 37 -4.372 -8.268 -5.309 1.00 0.00 C ATOM 522 O MET A 37 -3.270 -7.723 -5.360 1.00 0.00 O ATOM 523 CB MET A 37 -5.104 -10.304 -4.053 1.00 0.00 C ATOM 524 CG MET A 37 -5.713 -10.902 -2.795 1.00 0.00 C ATOM 525 SD MET A 37 -6.644 -12.411 -3.123 1.00 0.00 S ATOM 526 CE MET A 37 -5.419 -13.380 -3.999 1.00 0.00 C ATOM 0 H MET A 37 -6.966 -8.788 -3.505 1.00 0.00 H new ATOM 0 HA MET A 37 -4.212 -8.547 -3.197 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.738 -10.549 -4.905 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.134 -10.768 -4.233 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.920 -11.118 -2.079 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.371 -10.168 -2.330 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.782 -13.605 -5.002 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.489 -12.815 -4.068 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.239 -14.311 -3.461 1.00 0.00 H new ATOM 536 N GLU A 38 -5.145 -8.442 -6.377 1.00 0.00 N ATOM 537 CA GLU A 38 -4.730 -7.993 -7.701 1.00 0.00 C ATOM 538 C GLU A 38 -4.006 -6.652 -7.618 1.00 0.00 C ATOM 539 O GLU A 38 -2.851 -6.532 -8.024 1.00 0.00 O ATOM 540 CB GLU A 38 -5.942 -7.874 -8.627 1.00 0.00 C ATOM 541 CG GLU A 38 -5.582 -7.867 -10.103 1.00 0.00 C ATOM 542 CD GLU A 38 -6.803 -7.887 -11.001 1.00 0.00 C ATOM 543 OE1 GLU A 38 -7.567 -6.899 -10.987 1.00 0.00 O ATOM 544 OE2 GLU A 38 -6.995 -8.891 -11.719 1.00 0.00 O ATOM 0 H GLU A 38 -6.061 -8.890 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.042 -8.734 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.621 -8.704 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.482 -6.957 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.988 -6.980 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.958 -8.733 -10.325 1.00 0.00 H new ATOM 551 N GLN A 39 -4.696 -5.646 -7.089 1.00 0.00 N ATOM 552 CA GLN A 39 -4.120 -4.313 -6.953 1.00 0.00 C ATOM 553 C GLN A 39 -2.680 -4.390 -6.457 1.00 0.00 C ATOM 554 O GLN A 39 -1.747 -4.017 -7.168 1.00 0.00 O ATOM 555 CB GLN A 39 -4.958 -3.467 -5.994 1.00 0.00 C ATOM 556 CG GLN A 39 -6.127 -2.765 -6.665 1.00 0.00 C ATOM 557 CD GLN A 39 -5.759 -1.391 -7.190 1.00 0.00 C ATOM 558 OE1 GLN A 39 -5.143 -0.589 -6.487 1.00 0.00 O ATOM 559 NE2 GLN A 39 -6.135 -1.112 -8.433 1.00 0.00 N ATOM 0 H GLN A 39 -5.654 -5.729 -6.748 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.121 -3.843 -7.936 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.338 -4.106 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.316 -2.720 -5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.490 -3.379 -7.489 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.946 -2.670 -5.953 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.644 -1.806 -8.980 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.915 -0.203 -8.841 1.00 0.00 H new ATOM 568 N ILE A 40 -2.507 -4.877 -5.232 1.00 0.00 N ATOM 569 CA ILE A 40 -1.180 -5.003 -4.641 1.00 0.00 C ATOM 570 C ILE A 40 -0.183 -5.571 -5.646 1.00 0.00 C ATOM 571 O ILE A 40 0.875 -4.988 -5.885 1.00 0.00 O ATOM 572 CB ILE A 40 -1.204 -5.904 -3.393 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.166 -5.338 -2.347 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.196 -6.043 -2.813 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.449 -6.292 -1.207 1.00 0.00 C ATOM 0 H ILE A 40 -3.269 -5.190 -4.630 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.867 -4.000 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.555 -6.894 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.749 -4.416 -1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.106 -5.077 -2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.163 -6.683 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.856 -6.486 -3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.573 -5.059 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.138 -5.824 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.895 -7.206 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.517 -6.534 -0.695 1.00 0.00 H new ATOM 587 N LYS A 41 -0.528 -6.712 -6.233 1.00 0.00 N ATOM 588 CA LYS A 41 0.334 -7.359 -7.215 1.00 0.00 C ATOM 589 C LYS A 41 0.633 -6.420 -8.379 1.00 0.00 C ATOM 590 O LYS A 41 1.762 -5.955 -8.539 1.00 0.00 O ATOM 591 CB LYS A 41 -0.321 -8.640 -7.734 1.00 0.00 C ATOM 592 CG LYS A 41 -0.530 -9.695 -6.661 1.00 0.00 C ATOM 593 CD LYS A 41 -1.678 -10.627 -7.011 1.00 0.00 C ATOM 594 CE LYS A 41 -1.208 -11.796 -7.863 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.015 -11.402 -9.287 1.00 0.00 N ATOM 0 H LYS A 41 -1.399 -7.208 -6.045 1.00 0.00 H new ATOM 0 HA LYS A 41 1.274 -7.612 -6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.284 -8.391 -8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.298 -9.059 -8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.385 -10.274 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.733 -9.209 -5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.134 -11.003 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.448 -10.072 -7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.271 -12.183 -7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.937 -12.604 -7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.114 -12.240 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.730 -10.695 -9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.065 -10.996 -9.409 1.00 0.00 H new ATOM 609 N ARG A 42 -0.385 -6.145 -9.188 1.00 0.00 N ATOM 610 CA ARG A 42 -0.230 -5.261 -10.337 1.00 0.00 C ATOM 611 C ARG A 42 0.601 -4.035 -9.972 1.00 0.00 C ATOM 612 O ARG A 42 1.402 -3.554 -10.773 1.00 0.00 O ATOM 613 CB ARG A 42 -1.600 -4.825 -10.859 1.00 0.00 C ATOM 614 CG ARG A 42 -1.526 -3.840 -12.014 1.00 0.00 C ATOM 615 CD ARG A 42 -2.912 -3.429 -12.486 1.00 0.00 C ATOM 616 NE ARG A 42 -2.855 -2.418 -13.538 1.00 0.00 N ATOM 617 CZ ARG A 42 -2.671 -2.704 -14.822 1.00 0.00 C ATOM 618 NH1 ARG A 42 -2.527 -3.963 -15.210 1.00 0.00 N ATOM 619 NH2 ARG A 42 -2.630 -1.729 -15.721 1.00 0.00 N ATOM 0 H ARG A 42 -1.325 -6.521 -9.069 1.00 0.00 H new ATOM 0 HA ARG A 42 0.292 -5.811 -11.120 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.155 -5.707 -11.180 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.164 -4.373 -10.043 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.969 -2.956 -11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.977 -4.289 -12.842 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.444 -4.306 -12.855 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.482 -3.042 -11.642 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.962 -1.439 -13.272 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.557 -4.715 -14.522 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.386 -4.180 -16.197 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.740 -0.759 -15.426 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.489 -1.950 -16.707 1.00 0.00 H new ATOM 633 N ALA A 43 0.404 -3.533 -8.757 1.00 0.00 N ATOM 634 CA ALA A 43 1.135 -2.364 -8.285 1.00 0.00 C ATOM 635 C ALA A 43 2.630 -2.652 -8.193 1.00 0.00 C ATOM 636 O ALA A 43 3.457 -1.787 -8.480 1.00 0.00 O ATOM 637 CB ALA A 43 0.599 -1.916 -6.934 1.00 0.00 C ATOM 0 H ALA A 43 -0.256 -3.918 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 43 0.989 -1.560 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.154 -1.042 -6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.457 -1.661 -7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.715 -2.723 -6.211 1.00 0.00 H new ATOM 643 N ASN A 44 2.969 -3.873 -7.792 1.00 0.00 N ATOM 644 CA ASN A 44 4.365 -4.274 -7.662 1.00 0.00 C ATOM 645 C ASN A 44 4.695 -5.416 -8.619 1.00 0.00 C ATOM 646 O ASN A 44 5.653 -6.159 -8.408 1.00 0.00 O ATOM 647 CB ASN A 44 4.663 -4.699 -6.222 1.00 0.00 C ATOM 648 CG ASN A 44 4.214 -3.664 -5.209 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.346 -2.460 -5.434 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.678 -4.128 -4.086 1.00 0.00 N ATOM 0 H ASN A 44 2.297 -4.601 -7.552 1.00 0.00 H new ATOM 0 HA ASN A 44 4.988 -3.417 -7.918 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.165 -5.646 -6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.734 -4.871 -6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.356 -3.479 -3.368 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.588 -5.134 -3.941 1.00 0.00 H new ATOM 657 N ARG A 45 3.894 -5.548 -9.671 1.00 0.00 N ATOM 658 CA ARG A 45 4.100 -6.599 -10.660 1.00 0.00 C ATOM 659 C ARG A 45 4.671 -7.855 -10.009 1.00 0.00 C ATOM 660 O ARG A 45 5.617 -8.456 -10.519 1.00 0.00 O ATOM 661 CB ARG A 45 5.040 -6.112 -11.765 1.00 0.00 C ATOM 662 CG ARG A 45 6.417 -5.713 -11.261 1.00 0.00 C ATOM 663 CD ARG A 45 6.471 -4.237 -10.898 1.00 0.00 C ATOM 664 NE ARG A 45 6.389 -3.380 -12.077 1.00 0.00 N ATOM 665 CZ ARG A 45 6.861 -2.139 -12.119 1.00 0.00 C ATOM 666 NH1 ARG A 45 7.448 -1.614 -11.052 1.00 0.00 N ATOM 667 NH2 ARG A 45 6.748 -1.422 -13.229 1.00 0.00 N ATOM 0 H ARG A 45 3.097 -4.941 -9.860 1.00 0.00 H new ATOM 0 HA ARG A 45 3.133 -6.846 -11.097 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.149 -6.900 -12.511 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.585 -5.258 -12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.674 -6.313 -10.388 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.162 -5.928 -12.027 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.651 -4.000 -10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.397 -4.029 -10.363 1.00 0.00 H new ATOM 0 HE ARG A 45 5.945 -3.755 -12.915 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.538 -2.163 -10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.810 -0.661 -11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.298 -1.823 -14.052 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.111 -0.469 -13.260 1.00 0.00 H new ATOM 681 N LEU A 46 4.091 -8.245 -8.879 1.00 0.00 N ATOM 682 CA LEU A 46 4.543 -9.429 -8.157 1.00 0.00 C ATOM 683 C LEU A 46 4.190 -10.701 -8.922 1.00 0.00 C ATOM 684 O LEU A 46 4.709 -11.778 -8.628 1.00 0.00 O ATOM 685 CB LEU A 46 3.917 -9.469 -6.762 1.00 0.00 C ATOM 686 CG LEU A 46 4.699 -8.763 -5.654 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.878 -8.701 -4.376 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.025 -9.467 -5.405 1.00 0.00 C ATOM 0 H LEU A 46 3.307 -7.759 -8.443 1.00 0.00 H new ATOM 0 HA LEU A 46 5.627 -9.374 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.924 -9.023 -6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.782 -10.512 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 46 4.907 -7.743 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.451 -8.195 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.956 -8.151 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.637 -9.712 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.568 -8.951 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.839 -10.498 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.619 -9.457 -6.319 1.00 0.00 H new ATOM 700 N TYR A 47 3.306 -10.568 -9.904 1.00 0.00 N ATOM 701 CA TYR A 47 2.884 -11.706 -10.711 1.00 0.00 C ATOM 702 C TYR A 47 4.089 -12.441 -11.291 1.00 0.00 C ATOM 703 O TYR A 47 4.735 -11.961 -12.223 1.00 0.00 O ATOM 704 CB TYR A 47 1.963 -11.243 -11.842 1.00 0.00 C ATOM 705 CG TYR A 47 2.625 -10.287 -12.808 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.669 -8.923 -12.546 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.205 -10.747 -13.984 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.271 -8.045 -13.426 1.00 0.00 C ATOM 709 CE2 TYR A 47 3.812 -9.877 -14.869 1.00 0.00 C ATOM 710 CZ TYR A 47 3.842 -8.527 -14.586 1.00 0.00 C ATOM 711 OH TYR A 47 4.443 -7.657 -15.466 1.00 0.00 O ATOM 0 H TYR A 47 2.868 -9.683 -10.160 1.00 0.00 H new ATOM 0 HA TYR A 47 2.338 -12.394 -10.065 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.610 -12.115 -12.392 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.086 -10.761 -11.411 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.225 -8.543 -11.638 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.181 -11.803 -14.210 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.295 -6.988 -13.207 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.261 -10.252 -15.777 1.00 0.00 H new ATOM 0 HH TYR A 47 4.796 -8.157 -16.231 1.00 0.00 H new ATOM 721 N THR A 48 4.387 -13.610 -10.731 1.00 0.00 N ATOM 722 CA THR A 48 5.514 -14.411 -11.190 1.00 0.00 C ATOM 723 C THR A 48 5.122 -15.877 -11.340 1.00 0.00 C ATOM 724 O THR A 48 4.130 -16.325 -10.766 1.00 0.00 O ATOM 725 CB THR A 48 6.708 -14.308 -10.222 1.00 0.00 C ATOM 726 OG1 THR A 48 6.298 -14.668 -8.898 1.00 0.00 O ATOM 727 CG2 THR A 48 7.279 -12.898 -10.216 1.00 0.00 C ATOM 0 H THR A 48 3.863 -14.022 -9.959 1.00 0.00 H new ATOM 0 HA THR A 48 5.808 -14.015 -12.162 1.00 0.00 H new ATOM 0 HB THR A 48 7.483 -14.995 -10.561 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.232 -15.643 -8.830 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.121 -12.849 -9.525 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.617 -12.638 -11.219 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.509 -12.195 -9.899 1.00 0.00 H new ATOM 735 N ASN A 49 5.907 -16.619 -12.114 1.00 0.00 N ATOM 736 CA ASN A 49 5.640 -18.035 -12.339 1.00 0.00 C ATOM 737 C ASN A 49 5.474 -18.774 -11.015 1.00 0.00 C ATOM 738 O ASN A 49 4.623 -19.655 -10.887 1.00 0.00 O ATOM 739 CB ASN A 49 6.775 -18.666 -13.149 1.00 0.00 C ATOM 740 CG ASN A 49 7.029 -17.937 -14.454 1.00 0.00 C ATOM 741 OD1 ASN A 49 7.825 -16.876 -14.394 1.00 0.00 O flip ATOM 742 ND2 ASN A 49 6.515 -18.323 -15.504 1.00 0.00 N flip ATOM 0 H ASN A 49 6.733 -16.264 -12.596 1.00 0.00 H new ATOM 0 HA ASN A 49 4.710 -18.120 -12.901 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.687 -18.666 -12.552 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.532 -19.708 -13.359 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.909 -19.144 -15.504 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.695 -17.822 -16.374 1.00 0.00 H new ATOM 749 N ASP A 50 6.291 -18.409 -10.033 1.00 0.00 N ATOM 750 CA ASP A 50 6.233 -19.036 -8.718 1.00 0.00 C ATOM 751 C ASP A 50 5.549 -18.119 -7.708 1.00 0.00 C ATOM 752 O ASP A 50 5.514 -16.901 -7.885 1.00 0.00 O ATOM 753 CB ASP A 50 7.641 -19.386 -8.234 1.00 0.00 C ATOM 754 CG ASP A 50 8.147 -20.689 -8.822 1.00 0.00 C ATOM 755 OD1 ASP A 50 7.332 -21.619 -8.994 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.359 -20.777 -9.112 1.00 0.00 O ATOM 0 H ASP A 50 7.001 -17.682 -10.123 1.00 0.00 H new ATOM 0 HA ASP A 50 5.648 -19.952 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.325 -18.580 -8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.641 -19.457 -7.146 1.00 0.00 H new ATOM 761 N SER A 51 5.005 -18.712 -6.651 1.00 0.00 N ATOM 762 CA SER A 51 4.317 -17.949 -5.616 1.00 0.00 C ATOM 763 C SER A 51 5.063 -16.654 -5.309 1.00 0.00 C ATOM 764 O SER A 51 6.241 -16.512 -5.637 1.00 0.00 O ATOM 765 CB SER A 51 4.180 -18.786 -4.342 1.00 0.00 C ATOM 766 OG SER A 51 3.254 -19.843 -4.524 1.00 0.00 O ATOM 0 H SER A 51 5.027 -19.719 -6.488 1.00 0.00 H new ATOM 0 HA SER A 51 3.323 -17.697 -5.986 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.152 -19.194 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.854 -18.150 -3.519 1.00 0.00 H new ATOM 0 HG SER A 51 3.186 -20.364 -3.697 1.00 0.00 H new ATOM 772 N ILE A 52 4.368 -15.714 -4.679 1.00 0.00 N ATOM 773 CA ILE A 52 4.964 -14.431 -4.327 1.00 0.00 C ATOM 774 C ILE A 52 5.965 -14.584 -3.187 1.00 0.00 C ATOM 775 O ILE A 52 6.857 -13.754 -3.014 1.00 0.00 O ATOM 776 CB ILE A 52 3.890 -13.405 -3.919 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.065 -13.937 -2.746 1.00 0.00 C ATOM 778 CG2 ILE A 52 2.991 -13.080 -5.102 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.419 -12.848 -1.917 1.00 0.00 C ATOM 0 H ILE A 52 3.392 -15.816 -4.402 1.00 0.00 H new ATOM 0 HA ILE A 52 5.482 -14.069 -5.215 1.00 0.00 H new ATOM 0 HB ILE A 52 4.387 -12.488 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.289 -14.599 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.708 -14.538 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.237 -12.354 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.591 -12.663 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.500 -13.990 -5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.850 -13.299 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.191 -12.199 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.750 -12.261 -2.546 1.00 0.00 H new ATOM 791 N PHE A 53 5.811 -15.652 -2.411 1.00 0.00 N ATOM 792 CA PHE A 53 6.702 -15.916 -1.287 1.00 0.00 C ATOM 793 C PHE A 53 8.161 -15.738 -1.697 1.00 0.00 C ATOM 794 O PHE A 53 9.034 -15.531 -0.852 1.00 0.00 O ATOM 795 CB PHE A 53 6.479 -17.332 -0.754 1.00 0.00 C ATOM 796 CG PHE A 53 5.213 -17.482 0.039 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.114 -16.957 1.318 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.121 -18.148 -0.494 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.950 -17.093 2.050 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.954 -18.286 0.233 1.00 0.00 C ATOM 801 CZ PHE A 53 2.868 -17.760 1.507 1.00 0.00 C ATOM 0 H PHE A 53 5.077 -16.349 -2.540 1.00 0.00 H new ATOM 0 HA PHE A 53 6.474 -15.199 -0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.457 -18.028 -1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.326 -17.613 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.957 -16.435 1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.183 -18.564 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.886 -16.679 3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.109 -18.805 -0.195 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.958 -17.870 2.078 1.00 0.00 H new ATOM 811 N LEU A 54 8.419 -15.820 -2.997 1.00 0.00 N ATOM 812 CA LEU A 54 9.772 -15.668 -3.520 1.00 0.00 C ATOM 813 C LEU A 54 10.455 -14.444 -2.918 1.00 0.00 C ATOM 814 O LEU A 54 11.664 -14.446 -2.686 1.00 0.00 O ATOM 815 CB LEU A 54 9.740 -15.550 -5.045 1.00 0.00 C ATOM 816 CG LEU A 54 9.194 -16.762 -5.801 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.773 -16.367 -7.209 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.231 -17.875 -5.845 1.00 0.00 C ATOM 0 H LEU A 54 7.709 -15.991 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 54 10.344 -16.553 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.138 -14.681 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.753 -15.355 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 54 8.316 -17.132 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.387 -17.242 -7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.996 -15.604 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.634 -15.972 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.825 -18.729 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.128 -17.517 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.484 -18.177 -4.829 1.00 0.00 H new ATOM 830 N LYS A 55 9.672 -13.401 -2.665 1.00 0.00 N ATOM 831 CA LYS A 55 10.199 -12.171 -2.086 1.00 0.00 C ATOM 832 C LYS A 55 10.291 -12.280 -0.568 1.00 0.00 C ATOM 833 O LYS A 55 9.809 -13.245 0.026 1.00 0.00 O ATOM 834 CB LYS A 55 9.315 -10.983 -2.471 1.00 0.00 C ATOM 835 CG LYS A 55 9.101 -10.843 -3.968 1.00 0.00 C ATOM 836 CD LYS A 55 10.261 -10.120 -4.632 1.00 0.00 C ATOM 837 CE LYS A 55 9.930 -9.735 -6.066 1.00 0.00 C ATOM 838 NZ LYS A 55 10.106 -10.880 -7.001 1.00 0.00 N ATOM 0 H LYS A 55 8.669 -13.383 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 55 11.202 -12.013 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.346 -11.089 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.766 -10.067 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.984 -11.831 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.176 -10.297 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.508 -9.225 -4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.144 -10.759 -4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.901 -9.378 -6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.570 -8.910 -6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.871 -10.578 -7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.094 -11.205 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.477 -11.658 -6.719 1.00 0.00 H new ATOM 852 N LYS A 56 10.911 -11.284 0.056 1.00 0.00 N ATOM 853 CA LYS A 56 11.063 -11.266 1.506 1.00 0.00 C ATOM 854 C LYS A 56 10.031 -10.347 2.150 1.00 0.00 C ATOM 855 O LYS A 56 9.294 -10.755 3.049 1.00 0.00 O ATOM 856 CB LYS A 56 12.474 -10.811 1.885 1.00 0.00 C ATOM 857 CG LYS A 56 12.879 -11.198 3.297 1.00 0.00 C ATOM 858 CD LYS A 56 13.525 -12.572 3.335 1.00 0.00 C ATOM 859 CE LYS A 56 15.010 -12.500 3.012 1.00 0.00 C ATOM 860 NZ LYS A 56 15.695 -13.799 3.256 1.00 0.00 N ATOM 0 H LYS A 56 11.317 -10.478 -0.420 1.00 0.00 H new ATOM 0 HA LYS A 56 10.902 -12.279 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.187 -11.241 1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.537 -9.728 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.574 -10.457 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.001 -11.190 3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.387 -13.012 4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.028 -13.229 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.141 -12.211 1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.476 -11.724 3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.705 -13.708 3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.592 -14.063 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.267 -14.535 2.658 1.00 0.00 H new ATOM 874 N THR A 57 9.981 -9.102 1.685 1.00 0.00 N ATOM 875 CA THR A 57 9.038 -8.125 2.216 1.00 0.00 C ATOM 876 C THR A 57 8.241 -7.466 1.096 1.00 0.00 C ATOM 877 O THR A 57 8.786 -7.138 0.042 1.00 0.00 O ATOM 878 CB THR A 57 9.759 -7.033 3.028 1.00 0.00 C ATOM 879 OG1 THR A 57 10.989 -7.544 3.553 1.00 0.00 O ATOM 880 CG2 THR A 57 8.882 -6.539 4.169 1.00 0.00 C ATOM 0 H THR A 57 10.583 -8.747 0.942 1.00 0.00 H new ATOM 0 HA THR A 57 8.357 -8.667 2.873 1.00 0.00 H new ATOM 0 HB THR A 57 9.968 -6.196 2.362 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.442 -6.843 4.066 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.412 -5.768 4.728 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.959 -6.124 3.765 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.645 -7.371 4.833 1.00 0.00 H new ATOM 888 N LEU A 58 6.948 -7.275 1.331 1.00 0.00 N ATOM 889 CA LEU A 58 6.074 -6.654 0.341 1.00 0.00 C ATOM 890 C LEU A 58 5.535 -5.321 0.851 1.00 0.00 C ATOM 891 O LEU A 58 5.603 -5.028 2.045 1.00 0.00 O ATOM 892 CB LEU A 58 4.912 -7.588 -0.001 1.00 0.00 C ATOM 893 CG LEU A 58 5.268 -8.826 -0.825 1.00 0.00 C ATOM 894 CD1 LEU A 58 4.008 -9.499 -1.349 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.193 -8.454 -1.975 1.00 0.00 C ATOM 0 H LEU A 58 6.481 -7.541 2.198 1.00 0.00 H new ATOM 0 HA LEU A 58 6.660 -6.469 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.449 -7.916 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.161 -7.017 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 58 5.790 -9.531 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.281 -10.378 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.381 -9.801 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.458 -8.801 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.436 -9.347 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.697 -7.730 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.110 -8.018 -1.578 1.00 0.00 H new ATOM 907 N TYR A 59 5.000 -4.517 -0.061 1.00 0.00 N ATOM 908 CA TYR A 59 4.450 -3.215 0.295 1.00 0.00 C ATOM 909 C TYR A 59 2.949 -3.165 0.025 1.00 0.00 C ATOM 910 O TYR A 59 2.451 -3.817 -0.893 1.00 0.00 O ATOM 911 CB TYR A 59 5.157 -2.107 -0.487 1.00 0.00 C ATOM 912 CG TYR A 59 6.577 -2.453 -0.877 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.456 -3.006 0.046 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.038 -2.228 -2.168 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.754 -3.322 -0.306 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.334 -2.543 -2.529 1.00 0.00 C ATOM 917 CZ TYR A 59 9.188 -3.089 -1.594 1.00 0.00 C ATOM 918 OH TYR A 59 10.480 -3.405 -1.949 1.00 0.00 O ATOM 0 H TYR A 59 4.936 -4.745 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 59 4.615 -3.059 1.361 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.585 -1.888 -1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.165 -1.198 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.119 -3.192 1.055 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.372 -1.799 -2.902 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.425 -3.749 0.424 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.676 -2.363 -3.537 1.00 0.00 H new ATOM 0 HH TYR A 59 10.625 -3.180 -2.892 1.00 0.00 H new ATOM 928 N ILE A 60 2.235 -2.387 0.831 1.00 0.00 N ATOM 929 CA ILE A 60 0.792 -2.249 0.679 1.00 0.00 C ATOM 930 C ILE A 60 0.421 -0.851 0.196 1.00 0.00 C ATOM 931 O ILE A 60 0.760 0.157 0.816 1.00 0.00 O ATOM 932 CB ILE A 60 0.056 -2.536 2.001 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.376 -3.950 2.492 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.444 -2.358 1.822 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.030 -5.029 1.491 1.00 0.00 C ATOM 0 H ILE A 60 2.632 -1.842 1.596 1.00 0.00 H new ATOM 0 HA ILE A 60 0.482 -2.982 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 60 0.399 -1.825 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.438 -4.012 2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.168 -4.136 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.950 -2.564 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.655 -1.334 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.804 -3.048 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.283 -6.005 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.037 -4.994 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.594 -4.868 0.572 1.00 0.00 H new ATOM 947 N PRO A 61 -0.295 -0.787 -0.937 1.00 0.00 N ATOM 948 CA PRO A 61 -0.730 0.482 -1.527 1.00 0.00 C ATOM 949 C PRO A 61 -1.806 1.170 -0.693 1.00 0.00 C ATOM 950 O PRO A 61 -2.820 0.563 -0.349 1.00 0.00 O ATOM 951 CB PRO A 61 -1.294 0.066 -2.888 1.00 0.00 C ATOM 952 CG PRO A 61 -1.708 -1.354 -2.708 1.00 0.00 C ATOM 953 CD PRO A 61 -0.734 -1.948 -1.728 1.00 0.00 C ATOM 0 HA PRO A 61 0.085 1.203 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.139 0.692 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.545 0.163 -3.674 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.729 -1.418 -2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.684 -1.891 -3.656 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.205 -2.706 -1.102 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.103 -2.429 -2.235 1.00 0.00 H new ATOM 961 N ILE A 62 -1.577 2.439 -0.372 1.00 0.00 N ATOM 962 CA ILE A 62 -2.528 3.209 0.420 1.00 0.00 C ATOM 963 C ILE A 62 -3.389 4.101 -0.469 1.00 0.00 C ATOM 964 O ILE A 62 -2.882 4.782 -1.360 1.00 0.00 O ATOM 965 CB ILE A 62 -1.812 4.085 1.465 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.722 3.279 2.177 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.812 4.636 2.470 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.180 4.123 3.050 1.00 0.00 C ATOM 0 H ILE A 62 -0.742 2.955 -0.648 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.164 2.489 0.935 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.342 4.924 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.192 2.510 2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.115 2.765 1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.290 5.253 3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.555 5.240 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.308 3.810 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.928 3.487 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.678 4.875 2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.415 4.616 3.819 1.00 0.00 H new