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 18 HIS : no HD1:sc= 0.0622 X(o=0.13,f=0) USER MOD Set 1.2: A 33 TYR OH : rot 176:sc= 0.066 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.027) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.47 USER MOD Single : A 37 MET CE :methyl -164:sc= -0.377 (180deg=-0.82) USER MOD Single : A 39 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.777 K(o=-0.78,f=-4.6!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 82:sc= 1.19 USER MOD Single : A 49 ASN : amide:sc=-0.00203 K(o=-0.002,f=-1.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0451) 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 3.299 3.713 -0.385 1.00 0.00 N ATOM 182 CA ARG A 15 3.370 2.282 -0.112 1.00 0.00 C ATOM 183 C ARG A 15 3.819 2.024 1.323 1.00 0.00 C ATOM 184 O ARG A 15 4.633 2.766 1.873 1.00 0.00 O ATOM 185 CB ARG A 15 4.331 1.602 -1.089 1.00 0.00 C ATOM 186 CG ARG A 15 3.644 1.021 -2.314 1.00 0.00 C ATOM 187 CD ARG A 15 3.699 1.982 -3.492 1.00 0.00 C ATOM 188 NE ARG A 15 4.865 1.745 -4.338 1.00 0.00 N ATOM 189 CZ ARG A 15 4.943 0.756 -5.222 1.00 0.00 C ATOM 190 NH1 ARG A 15 3.928 -0.083 -5.374 1.00 0.00 N ATOM 191 NH2 ARG A 15 6.038 0.605 -5.955 1.00 0.00 N ATOM 0 HA ARG A 15 2.373 1.862 -0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.080 2.325 -1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.862 0.805 -0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.121 0.080 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.605 0.794 -2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.792 1.878 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.722 3.007 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 15 5.663 2.373 -4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.085 0.030 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.990 -0.841 -6.053 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.821 1.248 -5.840 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.097 -0.154 -6.633 1.00 0.00 H new ATOM 205 N LEU A 16 3.282 0.968 1.924 1.00 0.00 N ATOM 206 CA LEU A 16 3.626 0.611 3.296 1.00 0.00 C ATOM 207 C LEU A 16 4.343 -0.734 3.345 1.00 0.00 C ATOM 208 O LEU A 16 3.833 -1.738 2.849 1.00 0.00 O ATOM 209 CB LEU A 16 2.367 0.563 4.163 1.00 0.00 C ATOM 210 CG LEU A 16 2.479 -0.230 5.465 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.480 0.424 6.404 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.117 -0.351 6.135 1.00 0.00 C ATOM 0 H LEU A 16 2.607 0.344 1.483 1.00 0.00 H new ATOM 0 HA LEU A 16 4.299 1.375 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.079 1.586 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.558 0.137 3.570 1.00 0.00 H new ATOM 0 HG LEU A 16 2.836 -1.232 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.546 -0.155 7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.459 0.458 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.153 1.438 6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.216 -0.919 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.732 0.644 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.427 -0.865 5.466 1.00 0.00 H new ATOM 224 N GLU A 17 5.528 -0.746 3.949 1.00 0.00 N ATOM 225 CA GLU A 17 6.313 -1.969 4.064 1.00 0.00 C ATOM 226 C GLU A 17 5.699 -2.916 5.092 1.00 0.00 C ATOM 227 O GLU A 17 5.445 -2.530 6.233 1.00 0.00 O ATOM 228 CB GLU A 17 7.756 -1.641 4.454 1.00 0.00 C ATOM 229 CG GLU A 17 8.758 -2.699 4.026 1.00 0.00 C ATOM 230 CD GLU A 17 10.166 -2.394 4.500 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.458 -1.210 4.768 1.00 0.00 O ATOM 232 OE2 GLU A 17 10.976 -3.339 4.602 1.00 0.00 O ATOM 0 H GLU A 17 5.964 0.077 4.365 1.00 0.00 H new ATOM 0 HA GLU A 17 6.310 -2.464 3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.036 -0.686 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.812 -1.516 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.448 -3.668 4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.754 -2.780 2.939 1.00 0.00 H new ATOM 239 N HIS A 18 5.464 -4.157 4.678 1.00 0.00 N ATOM 240 CA HIS A 18 4.880 -5.159 5.562 1.00 0.00 C ATOM 241 C HIS A 18 5.776 -6.391 5.654 1.00 0.00 C ATOM 242 O HIS A 18 6.033 -7.058 4.652 1.00 0.00 O ATOM 243 CB HIS A 18 3.490 -5.560 5.066 1.00 0.00 C ATOM 244 CG HIS A 18 2.793 -6.537 5.962 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.054 -6.155 7.061 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.725 -7.889 5.916 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.562 -7.229 7.653 1.00 0.00 C ATOM 248 NE2 HIS A 18 1.954 -8.294 6.977 1.00 0.00 N ATOM 0 H HIS A 18 5.669 -4.492 3.737 1.00 0.00 H new ATOM 0 HA HIS A 18 4.790 -4.722 6.557 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.875 -4.665 4.970 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.580 -5.993 4.070 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.191 -8.529 5.181 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.944 -7.235 8.539 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.722 -9.260 7.206 1.00 0.00 H new ATOM 257 N GLN A 19 6.248 -6.685 6.861 1.00 0.00 N ATOM 258 CA GLN A 19 7.116 -7.835 7.082 1.00 0.00 C ATOM 259 C GLN A 19 6.405 -9.133 6.713 1.00 0.00 C ATOM 260 O GLN A 19 5.871 -9.828 7.579 1.00 0.00 O ATOM 261 CB GLN A 19 7.570 -7.885 8.542 1.00 0.00 C ATOM 262 CG GLN A 19 8.758 -8.804 8.779 1.00 0.00 C ATOM 263 CD GLN A 19 9.498 -8.482 10.062 1.00 0.00 C ATOM 264 OE1 GLN A 19 9.435 -9.235 11.034 1.00 0.00 O ATOM 265 NE2 GLN A 19 10.204 -7.358 10.072 1.00 0.00 N ATOM 0 H GLN A 19 6.044 -6.143 7.701 1.00 0.00 H new ATOM 0 HA GLN A 19 7.991 -7.727 6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.830 -6.878 8.868 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.736 -8.215 9.162 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.412 -9.837 8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.446 -8.726 7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.228 -6.764 9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.722 -7.089 10.908 1.00 0.00 H new ATOM 274 N LEU A 20 6.400 -9.453 5.424 1.00 0.00 N ATOM 275 CA LEU A 20 5.754 -10.668 4.940 1.00 0.00 C ATOM 276 C LEU A 20 6.237 -11.889 5.717 1.00 0.00 C ATOM 277 O LEU A 20 7.404 -12.270 5.628 1.00 0.00 O ATOM 278 CB LEU A 20 6.031 -10.857 3.447 1.00 0.00 C ATOM 279 CG LEU A 20 4.941 -11.572 2.648 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.707 -10.692 2.522 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.460 -11.965 1.272 1.00 0.00 C ATOM 0 H LEU A 20 6.836 -8.888 4.695 1.00 0.00 H new ATOM 0 HA LEU A 20 4.680 -10.564 5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.196 -9.876 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.960 -11.417 3.338 1.00 0.00 H new ATOM 0 HG LEU A 20 4.662 -12.480 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.942 -11.218 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.322 -10.460 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.971 -9.767 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.671 -12.473 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.767 -11.071 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.314 -12.633 1.382 1.00 0.00 H new ATOM 293 N GLU A 21 5.332 -12.498 6.476 1.00 0.00 N ATOM 294 CA GLU A 21 5.666 -13.676 7.266 1.00 0.00 C ATOM 295 C GLU A 21 5.350 -14.956 6.497 1.00 0.00 C ATOM 296 O GLU A 21 4.535 -14.969 5.574 1.00 0.00 O ATOM 297 CB GLU A 21 4.902 -13.663 8.592 1.00 0.00 C ATOM 298 CG GLU A 21 5.523 -12.759 9.643 1.00 0.00 C ATOM 299 CD GLU A 21 4.991 -13.033 11.036 1.00 0.00 C ATOM 300 OE1 GLU A 21 3.766 -12.900 11.240 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.799 -13.381 11.923 1.00 0.00 O ATOM 0 H GLU A 21 4.362 -12.195 6.560 1.00 0.00 H new ATOM 0 HA GLU A 21 6.736 -13.651 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.877 -13.341 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.852 -14.679 8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.605 -12.893 9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.329 -11.719 9.382 1.00 0.00 H new ATOM 308 N PRO A 22 6.009 -16.057 6.885 1.00 0.00 N ATOM 309 CA PRO A 22 5.815 -17.362 6.245 1.00 0.00 C ATOM 310 C PRO A 22 4.444 -17.958 6.548 1.00 0.00 C ATOM 311 O PRO A 22 4.300 -18.779 7.452 1.00 0.00 O ATOM 312 CB PRO A 22 6.921 -18.225 6.859 1.00 0.00 C ATOM 313 CG PRO A 22 7.213 -17.589 8.174 1.00 0.00 C ATOM 314 CD PRO A 22 6.995 -16.114 7.977 1.00 0.00 C ATOM 0 HA PRO A 22 5.861 -17.294 5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.595 -19.258 6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.806 -18.245 6.224 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.557 -17.980 8.951 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.236 -17.794 8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.619 -15.639 8.883 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.920 -15.603 7.710 1.00 0.00 H new ATOM 322 N GLY A 23 3.440 -17.538 5.784 1.00 0.00 N ATOM 323 CA GLY A 23 2.094 -18.041 5.987 1.00 0.00 C ATOM 324 C GLY A 23 1.034 -17.077 5.490 1.00 0.00 C ATOM 325 O GLY A 23 -0.104 -17.473 5.237 1.00 0.00 O ATOM 0 H GLY A 23 3.535 -16.859 5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.984 -18.995 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.937 -18.233 7.048 1.00 0.00 H new ATOM 329 N ASP A 24 1.407 -15.810 5.352 1.00 0.00 N ATOM 330 CA ASP A 24 0.480 -14.787 4.883 1.00 0.00 C ATOM 331 C ASP A 24 -0.034 -15.118 3.486 1.00 0.00 C ATOM 332 O ASP A 24 0.603 -15.861 2.738 1.00 0.00 O ATOM 333 CB ASP A 24 1.159 -13.416 4.879 1.00 0.00 C ATOM 334 CG ASP A 24 1.163 -12.767 6.249 1.00 0.00 C ATOM 335 OD1 ASP A 24 2.105 -13.028 7.027 1.00 0.00 O ATOM 336 OD2 ASP A 24 0.224 -11.998 6.543 1.00 0.00 O ATOM 0 H ASP A 24 2.345 -15.466 5.558 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.369 -14.761 5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.185 -13.523 4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.647 -12.763 4.172 1.00 0.00 H new ATOM 341 N THR A 25 -1.191 -14.563 3.139 1.00 0.00 N ATOM 342 CA THR A 25 -1.792 -14.802 1.833 1.00 0.00 C ATOM 343 C THR A 25 -2.359 -13.514 1.245 1.00 0.00 C ATOM 344 O THR A 25 -2.950 -12.702 1.958 1.00 0.00 O ATOM 345 CB THR A 25 -2.914 -15.853 1.914 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.812 -15.530 2.982 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.338 -17.244 2.132 1.00 0.00 C ATOM 0 H THR A 25 -1.731 -13.945 3.745 1.00 0.00 H new ATOM 0 HA THR A 25 -1.000 -15.177 1.185 1.00 0.00 H new ATOM 0 HB THR A 25 -3.457 -15.846 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.524 -16.202 3.026 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.150 -17.970 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.678 -17.499 1.303 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.773 -17.262 3.064 1.00 0.00 H new ATOM 355 N LEU A 26 -2.175 -13.333 -0.058 1.00 0.00 N ATOM 356 CA LEU A 26 -2.670 -12.144 -0.742 1.00 0.00 C ATOM 357 C LEU A 26 -4.045 -11.744 -0.216 1.00 0.00 C ATOM 358 O LEU A 26 -4.256 -10.603 0.193 1.00 0.00 O ATOM 359 CB LEU A 26 -2.740 -12.391 -2.250 1.00 0.00 C ATOM 360 CG LEU A 26 -1.399 -12.542 -2.969 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.564 -13.364 -4.238 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.809 -11.177 -3.289 1.00 0.00 C ATOM 0 H LEU A 26 -1.687 -13.994 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.975 -11.327 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.326 -13.294 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.284 -11.565 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.710 -13.067 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.600 -13.461 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.942 -14.354 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.269 -12.867 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.145 -11.304 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.495 -10.626 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.654 -10.622 -2.364 1.00 0.00 H new ATOM 374 N ALA A 27 -4.975 -12.693 -0.228 1.00 0.00 N ATOM 375 CA ALA A 27 -6.328 -12.442 0.253 1.00 0.00 C ATOM 376 C ALA A 27 -6.311 -11.829 1.649 1.00 0.00 C ATOM 377 O ALA A 27 -7.130 -10.970 1.971 1.00 0.00 O ATOM 378 CB ALA A 27 -7.137 -13.730 0.250 1.00 0.00 C ATOM 0 H ALA A 27 -4.816 -13.642 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.799 -11.728 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.145 -13.527 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.188 -14.125 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.658 -14.462 0.901 1.00 0.00 H new ATOM 384 N GLY A 28 -5.371 -12.278 2.475 1.00 0.00 N ATOM 385 CA GLY A 28 -5.265 -11.764 3.828 1.00 0.00 C ATOM 386 C GLY A 28 -4.946 -10.282 3.861 1.00 0.00 C ATOM 387 O GLY A 28 -5.710 -9.487 4.411 1.00 0.00 O ATOM 0 H GLY A 28 -4.681 -12.989 2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.202 -11.943 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.489 -12.312 4.362 1.00 0.00 H new ATOM 391 N LEU A 29 -3.815 -9.909 3.274 1.00 0.00 N ATOM 392 CA LEU A 29 -3.395 -8.512 3.240 1.00 0.00 C ATOM 393 C LEU A 29 -4.450 -7.643 2.563 1.00 0.00 C ATOM 394 O LEU A 29 -4.755 -6.545 3.027 1.00 0.00 O ATOM 395 CB LEU A 29 -2.060 -8.378 2.506 1.00 0.00 C ATOM 396 CG LEU A 29 -0.934 -9.293 2.988 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.197 -9.330 1.971 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.419 -8.836 4.345 1.00 0.00 C ATOM 0 H LEU A 29 -3.172 -10.554 2.815 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.273 -8.170 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.230 -8.571 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.723 -7.345 2.592 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.332 -10.302 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.989 -9.986 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.181 -9.706 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.594 -8.325 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.382 -9.499 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.038 -7.818 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.232 -8.863 5.071 1.00 0.00 H new ATOM 410 N ALA A 30 -5.005 -8.143 1.464 1.00 0.00 N ATOM 411 CA ALA A 30 -6.029 -7.415 0.725 1.00 0.00 C ATOM 412 C ALA A 30 -7.072 -6.825 1.669 1.00 0.00 C ATOM 413 O ALA A 30 -7.318 -5.618 1.663 1.00 0.00 O ATOM 414 CB ALA A 30 -6.694 -8.327 -0.295 1.00 0.00 C ATOM 0 H ALA A 30 -4.762 -9.050 1.066 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.546 -6.592 0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.456 -7.769 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.945 -8.696 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.158 -9.170 0.218 1.00 0.00 H new ATOM 420 N LEU A 31 -7.683 -7.684 2.478 1.00 0.00 N ATOM 421 CA LEU A 31 -8.701 -7.248 3.428 1.00 0.00 C ATOM 422 C LEU A 31 -8.063 -6.575 4.639 1.00 0.00 C ATOM 423 O LEU A 31 -8.489 -5.500 5.063 1.00 0.00 O ATOM 424 CB LEU A 31 -9.548 -8.438 3.879 1.00 0.00 C ATOM 425 CG LEU A 31 -10.110 -9.323 2.766 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.297 -10.749 3.260 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.424 -8.759 2.248 1.00 0.00 C ATOM 0 H LEU A 31 -7.491 -8.686 2.495 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.342 -6.522 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.943 -9.059 4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.382 -8.061 4.472 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.395 -9.337 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.698 -11.364 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.336 -11.152 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.991 -10.755 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.809 -9.402 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.147 -8.714 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.259 -7.756 1.853 1.00 0.00 H new ATOM 439 N LYS A 32 -7.037 -7.214 5.192 1.00 0.00 N ATOM 440 CA LYS A 32 -6.336 -6.677 6.353 1.00 0.00 C ATOM 441 C LYS A 32 -6.273 -5.154 6.293 1.00 0.00 C ATOM 442 O LYS A 32 -6.397 -4.477 7.315 1.00 0.00 O ATOM 443 CB LYS A 32 -4.921 -7.254 6.432 1.00 0.00 C ATOM 444 CG LYS A 32 -4.286 -7.120 7.805 1.00 0.00 C ATOM 445 CD LYS A 32 -2.780 -7.311 7.744 1.00 0.00 C ATOM 446 CE LYS A 32 -2.412 -8.768 7.511 1.00 0.00 C ATOM 447 NZ LYS A 32 -2.592 -9.589 8.741 1.00 0.00 N ATOM 0 H LYS A 32 -6.672 -8.105 4.855 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.890 -6.966 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.951 -8.308 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.291 -6.751 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.513 -6.137 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.720 -7.857 8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.367 -6.698 6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.330 -6.965 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.029 -9.175 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.376 -8.832 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.205 -10.541 8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.092 -9.140 9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.605 -9.660 8.966 1.00 0.00 H new ATOM 461 N TYR A 33 -6.081 -4.621 5.092 1.00 0.00 N ATOM 462 CA TYR A 33 -6.001 -3.178 4.900 1.00 0.00 C ATOM 463 C TYR A 33 -7.262 -2.647 4.225 1.00 0.00 C ATOM 464 O TYR A 33 -8.070 -1.960 4.847 1.00 0.00 O ATOM 465 CB TYR A 33 -4.772 -2.821 4.062 1.00 0.00 C ATOM 466 CG TYR A 33 -3.464 -2.993 4.802 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.965 -1.982 5.614 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.727 -4.165 4.688 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.771 -2.133 6.292 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.532 -4.326 5.363 1.00 0.00 C ATOM 471 CZ TYR A 33 -1.058 -3.307 6.163 1.00 0.00 C ATOM 472 OH TYR A 33 0.132 -3.463 6.836 1.00 0.00 O ATOM 0 H TYR A 33 -5.978 -5.167 4.236 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.912 -2.711 5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.759 -3.444 3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.858 -1.787 3.728 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.521 -1.062 5.717 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.094 -4.964 4.061 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.398 -1.337 6.919 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.972 -5.244 5.265 1.00 0.00 H new ATOM 0 HH TYR A 33 0.475 -4.369 6.688 1.00 0.00 H new ATOM 482 N GLY A 34 -7.422 -2.972 2.946 1.00 0.00 N ATOM 483 CA GLY A 34 -8.586 -2.520 2.206 1.00 0.00 C ATOM 484 C GLY A 34 -8.321 -2.414 0.717 1.00 0.00 C ATOM 485 O GLY A 34 -8.816 -1.502 0.055 1.00 0.00 O ATOM 0 H GLY A 34 -6.767 -3.540 2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.412 -3.211 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.900 -1.548 2.586 1.00 0.00 H new ATOM 489 N VAL A 35 -7.537 -3.348 0.189 1.00 0.00 N ATOM 490 CA VAL A 35 -7.207 -3.356 -1.231 1.00 0.00 C ATOM 491 C VAL A 35 -7.473 -4.723 -1.850 1.00 0.00 C ATOM 492 O VAL A 35 -7.827 -5.675 -1.154 1.00 0.00 O ATOM 493 CB VAL A 35 -5.733 -2.975 -1.467 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.451 -1.579 -0.935 1.00 0.00 C ATOM 495 CG2 VAL A 35 -4.810 -3.998 -0.821 1.00 0.00 C ATOM 0 H VAL A 35 -7.118 -4.109 0.723 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.847 -2.614 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.542 -2.973 -2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.405 -1.327 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.089 -0.859 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.657 -1.549 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.772 -3.714 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.000 -4.033 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.996 -4.981 -1.254 1.00 0.00 H new ATOM 505 N THR A 36 -7.299 -4.816 -3.165 1.00 0.00 N ATOM 506 CA THR A 36 -7.520 -6.067 -3.879 1.00 0.00 C ATOM 507 C THR A 36 -6.207 -6.800 -4.124 1.00 0.00 C ATOM 508 O THR A 36 -5.214 -6.196 -4.530 1.00 0.00 O ATOM 509 CB THR A 36 -8.220 -5.826 -5.230 1.00 0.00 C ATOM 510 OG1 THR A 36 -7.253 -5.482 -6.229 1.00 0.00 O ATOM 511 CG2 THR A 36 -9.253 -4.715 -5.114 1.00 0.00 C ATOM 0 H THR A 36 -7.005 -4.039 -3.757 1.00 0.00 H new ATOM 0 HA THR A 36 -8.163 -6.681 -3.249 1.00 0.00 H new ATOM 0 HB THR A 36 -8.729 -6.746 -5.519 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.706 -5.332 -7.085 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.734 -4.563 -6.080 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.004 -4.992 -4.374 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.762 -3.793 -4.804 1.00 0.00 H new ATOM 519 N MET A 37 -6.208 -8.105 -3.875 1.00 0.00 N ATOM 520 CA MET A 37 -5.015 -8.921 -4.070 1.00 0.00 C ATOM 521 C MET A 37 -4.299 -8.537 -5.361 1.00 0.00 C ATOM 522 O MET A 37 -3.071 -8.472 -5.404 1.00 0.00 O ATOM 523 CB MET A 37 -5.386 -10.405 -4.102 1.00 0.00 C ATOM 524 CG MET A 37 -6.058 -10.891 -2.828 1.00 0.00 C ATOM 525 SD MET A 37 -7.159 -12.290 -3.114 1.00 0.00 S ATOM 526 CE MET A 37 -5.991 -13.533 -3.662 1.00 0.00 C ATOM 0 H MET A 37 -7.021 -8.620 -3.538 1.00 0.00 H new ATOM 0 HA MET A 37 -4.341 -8.740 -3.233 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.051 -10.587 -4.946 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.484 -10.993 -4.275 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.294 -11.177 -2.105 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.625 -10.072 -2.386 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.528 -14.350 -4.143 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.294 -13.089 -4.373 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.439 -13.917 -2.804 1.00 0.00 H new ATOM 536 N GLU A 38 -5.075 -8.283 -6.410 1.00 0.00 N ATOM 537 CA GLU A 38 -4.513 -7.905 -7.702 1.00 0.00 C ATOM 538 C GLU A 38 -3.870 -6.523 -7.633 1.00 0.00 C ATOM 539 O GLU A 38 -2.755 -6.321 -8.114 1.00 0.00 O ATOM 540 CB GLU A 38 -5.598 -7.922 -8.780 1.00 0.00 C ATOM 541 CG GLU A 38 -5.056 -7.780 -10.192 1.00 0.00 C ATOM 542 CD GLU A 38 -6.153 -7.597 -11.223 1.00 0.00 C ATOM 543 OE1 GLU A 38 -6.597 -6.447 -11.420 1.00 0.00 O ATOM 544 OE2 GLU A 38 -6.567 -8.605 -11.833 1.00 0.00 O ATOM 0 H GLU A 38 -6.094 -8.332 -6.391 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.743 -8.632 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.157 -8.855 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.302 -7.113 -8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.378 -6.927 -10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.471 -8.665 -10.443 1.00 0.00 H new ATOM 551 N GLN A 39 -4.582 -5.575 -7.032 1.00 0.00 N ATOM 552 CA GLN A 39 -4.083 -4.212 -6.901 1.00 0.00 C ATOM 553 C GLN A 39 -2.666 -4.203 -6.337 1.00 0.00 C ATOM 554 O GLN A 39 -1.774 -3.554 -6.884 1.00 0.00 O ATOM 555 CB GLN A 39 -5.008 -3.391 -6.001 1.00 0.00 C ATOM 556 CG GLN A 39 -6.215 -2.821 -6.727 1.00 0.00 C ATOM 557 CD GLN A 39 -5.951 -1.446 -7.308 1.00 0.00 C ATOM 558 OE1 GLN A 39 -5.203 -0.652 -6.738 1.00 0.00 O ATOM 559 NE2 GLN A 39 -6.567 -1.157 -8.449 1.00 0.00 N ATOM 0 H GLN A 39 -5.506 -5.726 -6.628 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.062 -3.763 -7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.352 -4.019 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.439 -2.572 -5.560 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.506 -3.500 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.056 -2.764 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.179 -1.846 -8.887 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.428 -0.246 -8.887 1.00 0.00 H new ATOM 568 N ILE A 40 -2.466 -4.928 -5.242 1.00 0.00 N ATOM 569 CA ILE A 40 -1.157 -5.003 -4.605 1.00 0.00 C ATOM 570 C ILE A 40 -0.113 -5.572 -5.560 1.00 0.00 C ATOM 571 O ILE A 40 0.950 -4.983 -5.758 1.00 0.00 O ATOM 572 CB ILE A 40 -1.199 -5.871 -3.333 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.222 -5.312 -2.341 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.180 -5.944 -2.695 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.444 -6.199 -1.137 1.00 0.00 C ATOM 0 H ILE A 40 -3.193 -5.472 -4.777 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.880 -3.985 -4.332 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.503 -6.880 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.889 -4.331 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.172 -5.166 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.133 -6.561 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.885 -6.383 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.511 -4.940 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.181 -5.740 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.807 -7.173 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.504 -6.324 -0.599 1.00 0.00 H new ATOM 587 N LYS A 41 -0.423 -6.720 -6.151 1.00 0.00 N ATOM 588 CA LYS A 41 0.486 -7.369 -7.089 1.00 0.00 C ATOM 589 C LYS A 41 0.807 -6.447 -8.261 1.00 0.00 C ATOM 590 O LYS A 41 1.957 -6.052 -8.454 1.00 0.00 O ATOM 591 CB LYS A 41 -0.127 -8.673 -7.606 1.00 0.00 C ATOM 592 CG LYS A 41 -0.302 -9.730 -6.530 1.00 0.00 C ATOM 593 CD LYS A 41 -1.440 -10.681 -6.862 1.00 0.00 C ATOM 594 CE LYS A 41 -0.970 -11.825 -7.747 1.00 0.00 C ATOM 595 NZ LYS A 41 -2.086 -12.742 -8.108 1.00 0.00 N ATOM 0 H LYS A 41 -1.298 -7.221 -5.997 1.00 0.00 H new ATOM 0 HA LYS A 41 1.413 -7.594 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.098 -8.457 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.506 -9.074 -8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.624 -10.294 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.498 -9.247 -5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.861 -11.082 -5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.237 -10.134 -7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.523 -11.421 -8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.191 -12.387 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.725 -13.508 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.496 -13.147 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.818 -12.212 -8.623 1.00 0.00 H new ATOM 609 N ARG A 42 -0.215 -6.107 -9.038 1.00 0.00 N ATOM 610 CA ARG A 42 -0.041 -5.231 -10.191 1.00 0.00 C ATOM 611 C ARG A 42 0.796 -4.009 -9.823 1.00 0.00 C ATOM 612 O ARG A 42 1.610 -3.540 -10.617 1.00 0.00 O ATOM 613 CB ARG A 42 -1.401 -4.787 -10.731 1.00 0.00 C ATOM 614 CG ARG A 42 -1.368 -4.361 -12.190 1.00 0.00 C ATOM 615 CD ARG A 42 -2.672 -3.700 -12.608 1.00 0.00 C ATOM 616 NE ARG A 42 -2.473 -2.727 -13.679 1.00 0.00 N ATOM 617 CZ ARG A 42 -2.293 -3.062 -14.952 1.00 0.00 C ATOM 618 NH1 ARG A 42 -2.286 -4.339 -15.310 1.00 0.00 N ATOM 619 NH2 ARG A 42 -2.119 -2.119 -15.869 1.00 0.00 N ATOM 0 H ARG A 42 -1.173 -6.425 -8.891 1.00 0.00 H new ATOM 0 HA ARG A 42 0.484 -5.790 -10.965 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.113 -5.605 -10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.769 -3.957 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.541 -3.669 -12.349 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.182 -5.231 -12.820 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.376 -4.464 -12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.120 -3.205 -11.747 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.472 -1.736 -13.436 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.419 -5.066 -14.607 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.148 -4.594 -16.288 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.123 -1.136 -15.597 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.981 -2.377 -16.846 1.00 0.00 H new ATOM 633 N ALA A 43 0.588 -3.498 -8.613 1.00 0.00 N ATOM 634 CA ALA A 43 1.324 -2.332 -8.140 1.00 0.00 C ATOM 635 C ALA A 43 2.806 -2.648 -7.975 1.00 0.00 C ATOM 636 O ALA A 43 3.660 -1.787 -8.178 1.00 0.00 O ATOM 637 CB ALA A 43 0.738 -1.837 -6.826 1.00 0.00 C ATOM 0 H ALA A 43 -0.084 -3.873 -7.943 1.00 0.00 H new ATOM 0 HA ALA A 43 1.229 -1.545 -8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.297 -0.966 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.307 -1.563 -6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.803 -2.627 -6.078 1.00 0.00 H new ATOM 643 N ASN A 44 3.104 -3.890 -7.605 1.00 0.00 N ATOM 644 CA ASN A 44 4.485 -4.319 -7.411 1.00 0.00 C ATOM 645 C ASN A 44 4.849 -5.435 -8.385 1.00 0.00 C ATOM 646 O ASN A 44 5.779 -6.204 -8.144 1.00 0.00 O ATOM 647 CB ASN A 44 4.696 -4.794 -5.972 1.00 0.00 C ATOM 648 CG ASN A 44 4.018 -3.891 -4.960 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.017 -2.668 -5.104 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.437 -4.491 -3.927 1.00 0.00 N ATOM 0 H ASN A 44 2.409 -4.616 -7.434 1.00 0.00 H new ATOM 0 HA ASN A 44 5.135 -3.466 -7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.310 -5.808 -5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.764 -4.836 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.966 -3.935 -3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.462 -5.508 -3.848 1.00 0.00 H new ATOM 657 N ARG A 45 4.110 -5.516 -9.487 1.00 0.00 N ATOM 658 CA ARG A 45 4.355 -6.537 -10.498 1.00 0.00 C ATOM 659 C ARG A 45 4.901 -7.812 -9.861 1.00 0.00 C ATOM 660 O ARG A 45 5.861 -8.404 -10.357 1.00 0.00 O ATOM 661 CB ARG A 45 5.336 -6.019 -11.551 1.00 0.00 C ATOM 662 CG ARG A 45 6.596 -5.408 -10.960 1.00 0.00 C ATOM 663 CD ARG A 45 7.596 -6.478 -10.550 1.00 0.00 C ATOM 664 NE ARG A 45 8.965 -5.971 -10.532 1.00 0.00 N ATOM 665 CZ ARG A 45 9.603 -5.538 -11.614 1.00 0.00 C ATOM 666 NH1 ARG A 45 8.998 -5.552 -12.793 1.00 0.00 N ATOM 667 NH2 ARG A 45 10.848 -5.091 -11.516 1.00 0.00 N ATOM 0 H ARG A 45 3.337 -4.887 -9.702 1.00 0.00 H new ATOM 0 HA ARG A 45 3.406 -6.770 -10.981 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.615 -6.841 -12.211 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.834 -5.272 -12.167 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.055 -4.741 -11.690 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.335 -4.801 -10.093 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.337 -6.856 -9.561 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.530 -7.319 -11.240 1.00 0.00 H new ATOM 0 HE ARG A 45 9.459 -5.948 -9.640 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.041 -5.896 -12.871 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.490 -5.219 -13.622 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.316 -5.080 -10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.337 -4.759 -12.347 1.00 0.00 H new ATOM 681 N LEU A 46 4.285 -8.229 -8.761 1.00 0.00 N ATOM 682 CA LEU A 46 4.709 -9.433 -8.056 1.00 0.00 C ATOM 683 C LEU A 46 4.387 -10.682 -8.869 1.00 0.00 C ATOM 684 O LEU A 46 4.884 -11.771 -8.577 1.00 0.00 O ATOM 685 CB LEU A 46 4.030 -9.512 -6.687 1.00 0.00 C ATOM 686 CG LEU A 46 4.759 -8.820 -5.535 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.915 -8.858 -4.270 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.113 -9.470 -5.294 1.00 0.00 C ATOM 0 H LEU A 46 3.490 -7.751 -8.338 1.00 0.00 H new ATOM 0 HA LEU A 46 5.789 -9.381 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.034 -9.078 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.899 -10.563 -6.429 1.00 0.00 H new ATOM 0 HG LEU A 46 4.922 -7.777 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.450 -8.361 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.969 -8.346 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.720 -9.894 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.618 -8.965 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.972 -10.521 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.720 -9.390 -6.196 1.00 0.00 H new ATOM 700 N TYR A 47 3.555 -10.518 -9.892 1.00 0.00 N ATOM 701 CA TYR A 47 3.167 -11.633 -10.748 1.00 0.00 C ATOM 702 C TYR A 47 4.396 -12.363 -11.283 1.00 0.00 C ATOM 703 O TYR A 47 5.089 -11.868 -12.172 1.00 0.00 O ATOM 704 CB TYR A 47 2.309 -11.134 -11.912 1.00 0.00 C ATOM 705 CG TYR A 47 3.076 -10.307 -12.918 1.00 0.00 C ATOM 706 CD1 TYR A 47 3.265 -8.944 -12.727 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.611 -10.888 -14.062 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.965 -8.184 -13.644 1.00 0.00 C ATOM 709 CE2 TYR A 47 4.313 -10.136 -14.983 1.00 0.00 C ATOM 710 CZ TYR A 47 4.487 -8.785 -14.771 1.00 0.00 C ATOM 711 OH TYR A 47 5.184 -8.032 -15.687 1.00 0.00 O ATOM 0 H TYR A 47 3.136 -9.624 -10.148 1.00 0.00 H new ATOM 0 HA TYR A 47 2.584 -12.333 -10.149 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.867 -11.991 -12.420 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.486 -10.539 -11.517 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.858 -8.470 -11.846 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.475 -11.946 -14.233 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.103 -7.126 -13.480 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.724 -10.604 -15.865 1.00 0.00 H new ATOM 0 HH TYR A 47 5.485 -8.607 -16.421 1.00 0.00 H new ATOM 721 N THR A 48 4.659 -13.544 -10.734 1.00 0.00 N ATOM 722 CA THR A 48 5.803 -14.344 -11.154 1.00 0.00 C ATOM 723 C THR A 48 5.412 -15.804 -11.348 1.00 0.00 C ATOM 724 O THR A 48 4.393 -16.258 -10.829 1.00 0.00 O ATOM 725 CB THR A 48 6.951 -14.263 -10.130 1.00 0.00 C ATOM 726 OG1 THR A 48 6.490 -14.689 -8.843 1.00 0.00 O ATOM 727 CG2 THR A 48 7.494 -12.846 -10.036 1.00 0.00 C ATOM 0 H THR A 48 4.095 -13.968 -9.997 1.00 0.00 H new ATOM 0 HA THR A 48 6.144 -13.933 -12.104 1.00 0.00 H new ATOM 0 HB THR A 48 7.753 -14.921 -10.464 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.501 -15.668 -8.799 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.303 -12.814 -9.307 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.871 -12.535 -11.010 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.697 -12.171 -9.723 1.00 0.00 H new ATOM 735 N ASN A 49 6.229 -16.536 -12.099 1.00 0.00 N ATOM 736 CA ASN A 49 5.967 -17.947 -12.361 1.00 0.00 C ATOM 737 C ASN A 49 5.782 -18.717 -11.058 1.00 0.00 C ATOM 738 O ASN A 49 4.933 -19.603 -10.964 1.00 0.00 O ATOM 739 CB ASN A 49 7.114 -18.557 -13.170 1.00 0.00 C ATOM 740 CG ASN A 49 7.074 -20.073 -13.175 1.00 0.00 C ATOM 741 OD1 ASN A 49 7.651 -20.724 -12.304 1.00 0.00 O ATOM 742 ND2 ASN A 49 6.390 -20.643 -14.161 1.00 0.00 N ATOM 0 H ASN A 49 7.077 -16.176 -12.536 1.00 0.00 H new ATOM 0 HA ASN A 49 5.045 -18.020 -12.938 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.066 -18.191 -14.196 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.065 -18.222 -12.756 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.328 -21.660 -14.217 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.927 -20.064 -14.862 1.00 0.00 H new ATOM 749 N ASP A 50 6.582 -18.373 -10.055 1.00 0.00 N ATOM 750 CA ASP A 50 6.506 -19.031 -8.755 1.00 0.00 C ATOM 751 C ASP A 50 5.803 -18.140 -7.736 1.00 0.00 C ATOM 752 O ASP A 50 5.766 -16.919 -7.885 1.00 0.00 O ATOM 753 CB ASP A 50 7.907 -19.388 -8.258 1.00 0.00 C ATOM 754 CG ASP A 50 8.654 -20.285 -9.226 1.00 0.00 C ATOM 755 OD1 ASP A 50 8.148 -21.387 -9.525 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.744 -19.885 -9.685 1.00 0.00 O ATOM 0 H ASP A 50 7.291 -17.642 -10.117 1.00 0.00 H new ATOM 0 HA ASP A 50 5.926 -19.947 -8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.478 -18.473 -8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.831 -19.886 -7.291 1.00 0.00 H new ATOM 761 N SER A 51 5.245 -18.760 -6.701 1.00 0.00 N ATOM 762 CA SER A 51 4.538 -18.025 -5.659 1.00 0.00 C ATOM 763 C SER A 51 5.237 -16.703 -5.358 1.00 0.00 C ATOM 764 O SER A 51 6.432 -16.547 -5.615 1.00 0.00 O ATOM 765 CB SER A 51 4.444 -18.867 -4.385 1.00 0.00 C ATOM 766 OG SER A 51 3.514 -19.924 -4.541 1.00 0.00 O ATOM 0 H SER A 51 5.269 -19.770 -6.562 1.00 0.00 H new ATOM 0 HA SER A 51 3.532 -17.811 -6.019 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.425 -19.274 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.145 -18.235 -3.549 1.00 0.00 H new ATOM 0 HG SER A 51 3.473 -20.449 -3.714 1.00 0.00 H new ATOM 772 N ILE A 52 4.485 -15.753 -4.812 1.00 0.00 N ATOM 773 CA ILE A 52 5.032 -14.445 -4.475 1.00 0.00 C ATOM 774 C ILE A 52 5.971 -14.534 -3.276 1.00 0.00 C ATOM 775 O ILE A 52 6.774 -13.633 -3.035 1.00 0.00 O ATOM 776 CB ILE A 52 3.915 -13.431 -4.163 1.00 0.00 C ATOM 777 CG1 ILE A 52 2.969 -13.993 -3.100 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.149 -13.081 -5.430 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.235 -12.925 -2.320 1.00 0.00 C ATOM 0 H ILE A 52 3.495 -15.865 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 52 5.590 -14.102 -5.346 1.00 0.00 H new ATOM 0 HB ILE A 52 4.369 -12.520 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.240 -14.645 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.540 -14.610 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.363 -12.364 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.832 -12.644 -6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.703 -13.984 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.583 -13.395 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.956 -12.287 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.636 -12.322 -3.003 1.00 0.00 H new ATOM 791 N PHE A 53 5.866 -15.629 -2.530 1.00 0.00 N ATOM 792 CA PHE A 53 6.707 -15.837 -1.356 1.00 0.00 C ATOM 793 C PHE A 53 8.184 -15.693 -1.713 1.00 0.00 C ATOM 794 O PHE A 53 9.036 -15.555 -0.834 1.00 0.00 O ATOM 795 CB PHE A 53 6.447 -17.220 -0.756 1.00 0.00 C ATOM 796 CG PHE A 53 5.158 -17.309 0.008 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.054 -16.776 1.283 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.049 -17.927 -0.548 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.868 -16.856 1.989 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.861 -18.010 0.153 1.00 0.00 C ATOM 801 CZ PHE A 53 2.770 -17.475 1.424 1.00 0.00 C ATOM 0 H PHE A 53 5.208 -16.385 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 53 6.454 -15.075 -0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.437 -17.959 -1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.272 -17.480 -0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.910 -16.292 1.730 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.114 -18.348 -1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.800 -16.435 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.004 -18.493 -0.292 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.843 -17.541 1.974 1.00 0.00 H new ATOM 811 N LEU A 54 8.479 -15.728 -3.008 1.00 0.00 N ATOM 812 CA LEU A 54 9.853 -15.603 -3.482 1.00 0.00 C ATOM 813 C LEU A 54 10.550 -14.416 -2.824 1.00 0.00 C ATOM 814 O LEU A 54 11.747 -14.466 -2.538 1.00 0.00 O ATOM 815 CB LEU A 54 9.875 -15.443 -5.003 1.00 0.00 C ATOM 816 CG LEU A 54 9.420 -16.658 -5.813 1.00 0.00 C ATOM 817 CD1 LEU A 54 9.033 -16.244 -7.224 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.513 -17.716 -5.846 1.00 0.00 C ATOM 0 H LEU A 54 7.786 -15.842 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 54 10.390 -16.512 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.241 -14.597 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.890 -15.189 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 54 8.542 -17.086 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.712 -17.121 -7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.217 -15.522 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.892 -15.791 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.172 -18.573 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.409 -17.299 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.742 -18.034 -4.829 1.00 0.00 H new ATOM 830 N LYS A 55 9.794 -13.351 -2.585 1.00 0.00 N ATOM 831 CA LYS A 55 10.337 -12.152 -1.957 1.00 0.00 C ATOM 832 C LYS A 55 10.333 -12.284 -0.438 1.00 0.00 C ATOM 833 O LYS A 55 9.993 -13.336 0.104 1.00 0.00 O ATOM 834 CB LYS A 55 9.528 -10.921 -2.375 1.00 0.00 C ATOM 835 CG LYS A 55 9.644 -10.590 -3.852 1.00 0.00 C ATOM 836 CD LYS A 55 9.509 -9.097 -4.101 1.00 0.00 C ATOM 837 CE LYS A 55 9.831 -8.741 -5.544 1.00 0.00 C ATOM 838 NZ LYS A 55 11.292 -8.820 -5.822 1.00 0.00 N ATOM 0 H LYS A 55 8.802 -13.293 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 55 11.368 -12.032 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.479 -11.086 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.861 -10.063 -1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.606 -10.937 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.873 -11.124 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.494 -8.778 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.178 -8.554 -3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.297 -9.416 -6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.475 -7.733 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.488 -8.426 -6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.812 -8.276 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.598 -9.814 -5.792 1.00 0.00 H new ATOM 852 N LYS A 56 10.712 -11.209 0.246 1.00 0.00 N ATOM 853 CA LYS A 56 10.750 -11.203 1.703 1.00 0.00 C ATOM 854 C LYS A 56 9.738 -10.213 2.270 1.00 0.00 C ATOM 855 O LYS A 56 8.969 -10.543 3.174 1.00 0.00 O ATOM 856 CB LYS A 56 12.156 -10.850 2.196 1.00 0.00 C ATOM 857 CG LYS A 56 13.065 -12.056 2.356 1.00 0.00 C ATOM 858 CD LYS A 56 14.512 -11.641 2.558 1.00 0.00 C ATOM 859 CE LYS A 56 14.803 -11.324 4.017 1.00 0.00 C ATOM 860 NZ LYS A 56 16.129 -10.669 4.189 1.00 0.00 N ATOM 0 H LYS A 56 10.997 -10.330 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 56 10.489 -12.202 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.613 -10.152 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.078 -10.335 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.734 -12.652 3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.987 -12.691 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.171 -12.440 2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.730 -10.767 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.022 -10.672 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.774 -12.244 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.289 -10.469 5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.877 -11.301 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.148 -9.778 3.652 1.00 0.00 H new ATOM 874 N THR A 57 9.741 -8.997 1.732 1.00 0.00 N ATOM 875 CA THR A 57 8.823 -7.959 2.184 1.00 0.00 C ATOM 876 C THR A 57 7.962 -7.448 1.035 1.00 0.00 C ATOM 877 O THR A 57 8.438 -7.297 -0.091 1.00 0.00 O ATOM 878 CB THR A 57 9.581 -6.773 2.810 1.00 0.00 C ATOM 879 OG1 THR A 57 10.895 -6.680 2.249 1.00 0.00 O ATOM 880 CG2 THR A 57 9.678 -6.929 4.320 1.00 0.00 C ATOM 0 H THR A 57 10.369 -8.707 0.983 1.00 0.00 H new ATOM 0 HA THR A 57 8.182 -8.411 2.941 1.00 0.00 H new ATOM 0 HB THR A 57 9.028 -5.860 2.590 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.369 -5.923 2.651 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.217 -6.080 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.676 -6.969 4.747 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.211 -7.850 4.557 1.00 0.00 H new ATOM 888 N LEU A 58 6.693 -7.184 1.325 1.00 0.00 N ATOM 889 CA LEU A 58 5.765 -6.688 0.314 1.00 0.00 C ATOM 890 C LEU A 58 5.116 -5.383 0.764 1.00 0.00 C ATOM 891 O LEU A 58 4.624 -5.277 1.888 1.00 0.00 O ATOM 892 CB LEU A 58 4.686 -7.734 0.027 1.00 0.00 C ATOM 893 CG LEU A 58 5.152 -8.996 -0.700 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.964 -9.743 -1.287 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.154 -8.644 -1.790 1.00 0.00 C ATOM 0 H LEU A 58 6.283 -7.305 2.251 1.00 0.00 H new ATOM 0 HA LEU A 58 6.329 -6.496 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.234 -8.030 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.902 -7.265 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 58 5.644 -9.648 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.315 -10.638 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.282 -10.028 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.443 -9.099 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.475 -9.554 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.687 -7.973 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.019 -8.153 -1.344 1.00 0.00 H new ATOM 907 N TYR A 59 5.118 -4.392 -0.121 1.00 0.00 N ATOM 908 CA TYR A 59 4.529 -3.093 0.185 1.00 0.00 C ATOM 909 C TYR A 59 3.023 -3.107 -0.057 1.00 0.00 C ATOM 910 O TYR A 59 2.531 -3.812 -0.939 1.00 0.00 O ATOM 911 CB TYR A 59 5.184 -2.001 -0.663 1.00 0.00 C ATOM 912 CG TYR A 59 6.613 -2.310 -1.050 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.417 -3.102 -0.240 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.158 -1.810 -2.226 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.723 -3.385 -0.589 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.463 -2.089 -2.584 1.00 0.00 C ATOM 917 CZ TYR A 59 9.241 -2.877 -1.762 1.00 0.00 C ATOM 918 OH TYR A 59 10.541 -3.158 -2.114 1.00 0.00 O ATOM 0 H TYR A 59 5.521 -4.463 -1.055 1.00 0.00 H new ATOM 0 HA TYR A 59 4.707 -2.881 1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.595 -1.853 -1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.161 -1.061 -0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.014 -3.503 0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.551 -1.193 -2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.335 -4.001 0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.871 -1.692 -3.502 1.00 0.00 H new ATOM 0 HH TYR A 59 10.749 -2.725 -2.968 1.00 0.00 H new ATOM 928 N ILE A 60 2.297 -2.322 0.732 1.00 0.00 N ATOM 929 CA ILE A 60 0.847 -2.242 0.603 1.00 0.00 C ATOM 930 C ILE A 60 0.407 -0.834 0.215 1.00 0.00 C ATOM 931 O ILE A 60 0.583 0.127 0.964 1.00 0.00 O ATOM 932 CB ILE A 60 0.143 -2.645 1.912 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.508 -4.082 2.291 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.365 -2.495 1.769 1.00 0.00 C ATOM 935 CD1 ILE A 60 -0.010 -5.114 1.315 1.00 0.00 C ATOM 0 H ILE A 60 2.689 -1.733 1.467 1.00 0.00 H new ATOM 0 HA ILE A 60 0.561 -2.940 -0.184 1.00 0.00 H new ATOM 0 HB ILE A 60 0.481 -1.983 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.593 -4.168 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.111 -4.300 3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.849 -2.783 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.607 -1.457 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.720 -3.137 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.286 -6.109 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.097 -5.056 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.407 -4.922 0.327 1.00 0.00 H new ATOM 947 N PRO A 61 -0.181 -0.708 -0.984 1.00 0.00 N ATOM 948 CA PRO A 61 -0.661 0.578 -1.499 1.00 0.00 C ATOM 949 C PRO A 61 -1.880 1.088 -0.738 1.00 0.00 C ATOM 950 O PRO A 61 -2.936 0.454 -0.742 1.00 0.00 O ATOM 951 CB PRO A 61 -1.030 0.263 -2.951 1.00 0.00 C ATOM 952 CG PRO A 61 -1.331 -1.196 -2.958 1.00 0.00 C ATOM 953 CD PRO A 61 -0.423 -1.811 -1.930 1.00 0.00 C ATOM 0 HA PRO A 61 0.087 1.364 -1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.892 0.846 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.210 0.501 -3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.377 -1.380 -2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.153 -1.626 -3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.891 -2.665 -1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.505 -2.169 -2.376 1.00 0.00 H new ATOM 961 N ILE A 62 -1.727 2.236 -0.087 1.00 0.00 N ATOM 962 CA ILE A 62 -2.817 2.831 0.677 1.00 0.00 C ATOM 963 C ILE A 62 -3.672 3.738 -0.202 1.00 0.00 C ATOM 964 O ILE A 62 -3.229 4.805 -0.629 1.00 0.00 O ATOM 965 CB ILE A 62 -2.287 3.645 1.873 1.00 0.00 C ATOM 966 CG1 ILE A 62 -1.107 2.923 2.525 1.00 0.00 C ATOM 967 CG2 ILE A 62 -3.398 3.880 2.886 1.00 0.00 C ATOM 968 CD1 ILE A 62 -0.430 3.731 3.611 1.00 0.00 C ATOM 0 H ILE A 62 -0.860 2.773 -0.073 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.428 2.009 1.050 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.941 4.613 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.456 1.981 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.374 2.675 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.009 4.456 3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.211 4.431 2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.771 2.921 3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.397 3.158 4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.050 4.661 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.149 3.957 4.398 1.00 0.00 H new