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= 0.361 K(o=0.78,f=-0.42) USER MOD Set 1.2: A 33 TYR OH : rot 158:sc= 0.415 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+ -166:sc= -0.0142 (180deg=-0.205) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -113:sc= -0.0279 (180deg=-0.262) USER MOD Single : A 39 GLN : amide:sc= -0.664 K(o=-0.66,f=-3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.0177 X(o=0.018,f=-0.17) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 49 ASN : amide:sc= -4.03! C(o=-4!,f=-6!) 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 3.494 4.025 0.128 1.00 0.00 N ATOM 182 CA ARG A 15 3.396 2.587 0.347 1.00 0.00 C ATOM 183 C ARG A 15 3.898 2.214 1.739 1.00 0.00 C ATOM 184 O ARG A 15 4.752 2.896 2.306 1.00 0.00 O ATOM 185 CB ARG A 15 4.198 1.832 -0.714 1.00 0.00 C ATOM 186 CG ARG A 15 3.393 1.493 -1.958 1.00 0.00 C ATOM 187 CD ARG A 15 3.485 2.597 -3.000 1.00 0.00 C ATOM 188 NE ARG A 15 2.460 3.619 -2.805 1.00 0.00 N ATOM 189 CZ ARG A 15 1.216 3.508 -3.256 1.00 0.00 C ATOM 190 NH1 ARG A 15 0.844 2.425 -3.924 1.00 0.00 N ATOM 191 NH2 ARG A 15 0.341 4.482 -3.039 1.00 0.00 N ATOM 0 HA ARG A 15 2.346 2.304 0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.060 2.433 -1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.584 0.910 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.757 0.558 -2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.350 1.335 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.471 3.059 -2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.382 2.166 -3.996 1.00 0.00 H new ATOM 0 HE ARG A 15 2.714 4.465 -2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.514 1.675 -4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.112 2.342 -4.269 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.624 5.317 -2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.614 4.396 -3.386 1.00 0.00 H new ATOM 205 N LEU A 16 3.361 1.128 2.285 1.00 0.00 N ATOM 206 CA LEU A 16 3.753 0.664 3.611 1.00 0.00 C ATOM 207 C LEU A 16 4.541 -0.639 3.521 1.00 0.00 C ATOM 208 O LEU A 16 4.114 -1.588 2.866 1.00 0.00 O ATOM 209 CB LEU A 16 2.517 0.467 4.490 1.00 0.00 C ATOM 210 CG LEU A 16 2.733 -0.319 5.784 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.831 0.319 6.620 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.437 -0.405 6.578 1.00 0.00 C ATOM 0 H LEU A 16 2.653 0.552 1.829 1.00 0.00 H new ATOM 0 HA LEU A 16 4.393 1.423 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.118 1.448 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.755 -0.043 3.901 1.00 0.00 H new ATOM 0 HG LEU A 16 3.045 -1.331 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.970 -0.254 7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.762 0.328 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.549 1.342 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.609 -0.968 7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.096 0.600 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.677 -0.909 5.981 1.00 0.00 H new ATOM 224 N GLU A 17 5.692 -0.675 4.186 1.00 0.00 N ATOM 225 CA GLU A 17 6.538 -1.863 4.181 1.00 0.00 C ATOM 226 C GLU A 17 6.013 -2.909 5.160 1.00 0.00 C ATOM 227 O GLU A 17 6.028 -2.703 6.374 1.00 0.00 O ATOM 228 CB GLU A 17 7.979 -1.491 4.540 1.00 0.00 C ATOM 229 CG GLU A 17 8.994 -2.557 4.164 1.00 0.00 C ATOM 230 CD GLU A 17 10.200 -2.564 5.082 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.019 -2.365 6.302 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.326 -2.769 4.581 1.00 0.00 O ATOM 0 H GLU A 17 6.059 0.103 4.734 1.00 0.00 H new ATOM 0 HA GLU A 17 6.518 -2.288 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.241 -0.559 4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.041 -1.304 5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.515 -3.536 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.324 -2.393 3.138 1.00 0.00 H new ATOM 239 N HIS A 18 5.548 -4.033 4.623 1.00 0.00 N ATOM 240 CA HIS A 18 5.017 -5.112 5.448 1.00 0.00 C ATOM 241 C HIS A 18 5.977 -6.297 5.475 1.00 0.00 C ATOM 242 O HIS A 18 6.301 -6.869 4.434 1.00 0.00 O ATOM 243 CB HIS A 18 3.652 -5.559 4.924 1.00 0.00 C ATOM 244 CG HIS A 18 2.962 -6.546 5.815 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.128 -6.173 6.847 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.986 -7.899 5.822 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.669 -7.254 7.452 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.174 -8.315 6.849 1.00 0.00 N ATOM 0 H HIS A 18 5.528 -4.220 3.620 1.00 0.00 H new ATOM 0 HA HIS A 18 4.902 -4.736 6.465 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.014 -4.684 4.803 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.778 -6.001 3.936 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.540 -8.533 5.146 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.995 -7.268 8.296 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.991 -9.285 7.104 1.00 0.00 H new ATOM 257 N GLN A 19 6.429 -6.659 6.671 1.00 0.00 N ATOM 258 CA GLN A 19 7.354 -7.775 6.832 1.00 0.00 C ATOM 259 C GLN A 19 6.677 -9.097 6.486 1.00 0.00 C ATOM 260 O GLN A 19 6.354 -9.892 7.370 1.00 0.00 O ATOM 261 CB GLN A 19 7.886 -7.821 8.266 1.00 0.00 C ATOM 262 CG GLN A 19 9.095 -8.726 8.437 1.00 0.00 C ATOM 263 CD GLN A 19 9.605 -8.754 9.865 1.00 0.00 C ATOM 264 OE1 GLN A 19 8.940 -9.269 10.764 1.00 0.00 O ATOM 265 NE2 GLN A 19 10.793 -8.200 10.080 1.00 0.00 N ATOM 0 H GLN A 19 6.170 -6.196 7.542 1.00 0.00 H new ATOM 0 HA GLN A 19 8.188 -7.625 6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.151 -6.811 8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.091 -8.162 8.929 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.833 -9.738 8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.894 -8.388 7.776 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.310 -7.784 9.305 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.189 -8.190 11.020 1.00 0.00 H new ATOM 274 N LEU A 20 6.464 -9.327 5.195 1.00 0.00 N ATOM 275 CA LEU A 20 5.825 -10.553 4.731 1.00 0.00 C ATOM 276 C LEU A 20 6.322 -11.759 5.521 1.00 0.00 C ATOM 277 O LEU A 20 7.512 -12.072 5.510 1.00 0.00 O ATOM 278 CB LEU A 20 6.094 -10.760 3.240 1.00 0.00 C ATOM 279 CG LEU A 20 5.065 -11.597 2.481 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.906 -10.728 2.019 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.715 -12.297 1.296 1.00 0.00 C ATOM 0 H LEU A 20 6.725 -8.680 4.451 1.00 0.00 H new ATOM 0 HA LEU A 20 4.751 -10.455 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.159 -9.782 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.070 -11.233 3.130 1.00 0.00 H new ATOM 0 HG LEU A 20 4.675 -12.358 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.184 -11.341 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.423 -10.275 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.279 -9.944 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.967 -12.888 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.134 -11.553 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.510 -12.952 1.652 1.00 0.00 H new ATOM 293 N GLU A 21 5.402 -12.433 6.205 1.00 0.00 N ATOM 294 CA GLU A 21 5.748 -13.605 7.000 1.00 0.00 C ATOM 295 C GLU A 21 5.348 -14.889 6.278 1.00 0.00 C ATOM 296 O GLU A 21 4.405 -14.918 5.487 1.00 0.00 O ATOM 297 CB GLU A 21 5.065 -13.542 8.367 1.00 0.00 C ATOM 298 CG GLU A 21 3.547 -13.554 8.290 1.00 0.00 C ATOM 299 CD GLU A 21 2.896 -13.747 9.646 1.00 0.00 C ATOM 300 OE1 GLU A 21 3.208 -12.969 10.571 1.00 0.00 O ATOM 301 OE2 GLU A 21 2.073 -14.677 9.781 1.00 0.00 O ATOM 0 H GLU A 21 4.412 -12.187 6.224 1.00 0.00 H new ATOM 0 HA GLU A 21 6.829 -13.609 7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.397 -14.388 8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.387 -12.638 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.201 -12.616 7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.227 -14.352 7.621 1.00 0.00 H new ATOM 308 N PRO A 22 6.083 -15.976 6.554 1.00 0.00 N ATOM 309 CA PRO A 22 5.825 -17.283 5.942 1.00 0.00 C ATOM 310 C PRO A 22 4.529 -17.911 6.443 1.00 0.00 C ATOM 311 O PRO A 22 4.539 -18.728 7.363 1.00 0.00 O ATOM 312 CB PRO A 22 7.029 -18.122 6.377 1.00 0.00 C ATOM 313 CG PRO A 22 7.501 -17.484 7.638 1.00 0.00 C ATOM 314 CD PRO A 22 7.223 -16.014 7.486 1.00 0.00 C ATOM 0 HA PRO A 22 5.707 -17.211 4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.748 -19.162 6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.809 -18.119 5.616 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.978 -17.893 8.502 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.564 -17.666 7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.976 -15.551 8.441 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.086 -15.481 7.087 1.00 0.00 H new ATOM 322 N GLY A 23 3.414 -17.526 5.829 1.00 0.00 N ATOM 323 CA GLY A 23 2.125 -18.062 6.226 1.00 0.00 C ATOM 324 C GLY A 23 0.971 -17.190 5.775 1.00 0.00 C ATOM 325 O GLY A 23 -0.170 -17.648 5.701 1.00 0.00 O ATOM 0 H GLY A 23 3.381 -16.852 5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.006 -19.062 5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.096 -18.165 7.311 1.00 0.00 H new ATOM 329 N ASP A 24 1.265 -15.930 5.475 1.00 0.00 N ATOM 330 CA ASP A 24 0.242 -14.991 5.029 1.00 0.00 C ATOM 331 C ASP A 24 -0.221 -15.323 3.614 1.00 0.00 C ATOM 332 O ASP A 24 0.443 -16.065 2.889 1.00 0.00 O ATOM 333 CB ASP A 24 0.777 -13.559 5.081 1.00 0.00 C ATOM 334 CG ASP A 24 0.539 -12.901 6.425 1.00 0.00 C ATOM 335 OD1 ASP A 24 -0.452 -13.261 7.096 1.00 0.00 O ATOM 336 OD2 ASP A 24 1.343 -12.026 6.808 1.00 0.00 O ATOM 0 H ASP A 24 2.204 -15.535 5.532 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.612 -15.076 5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.846 -13.566 4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.299 -12.967 4.300 1.00 0.00 H new ATOM 341 N THR A 25 -1.366 -14.770 3.226 1.00 0.00 N ATOM 342 CA THR A 25 -1.919 -15.009 1.899 1.00 0.00 C ATOM 343 C THR A 25 -2.401 -13.710 1.262 1.00 0.00 C ATOM 344 O THR A 25 -2.930 -12.831 1.944 1.00 0.00 O ATOM 345 CB THR A 25 -3.091 -16.008 1.950 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.869 -15.789 3.132 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.581 -17.441 1.931 1.00 0.00 C ATOM 0 H THR A 25 -1.928 -14.153 3.812 1.00 0.00 H new ATOM 0 HA THR A 25 -1.117 -15.432 1.294 1.00 0.00 H new ATOM 0 HB THR A 25 -3.714 -15.849 1.070 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.613 -16.426 3.157 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.426 -18.128 1.968 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.013 -17.613 1.017 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.938 -17.610 2.795 1.00 0.00 H new ATOM 355 N LEU A 26 -2.216 -13.595 -0.048 1.00 0.00 N ATOM 356 CA LEU A 26 -2.633 -12.403 -0.778 1.00 0.00 C ATOM 357 C LEU A 26 -4.025 -11.957 -0.342 1.00 0.00 C ATOM 358 O LEU A 26 -4.212 -10.829 0.112 1.00 0.00 O ATOM 359 CB LEU A 26 -2.619 -12.672 -2.284 1.00 0.00 C ATOM 360 CG LEU A 26 -1.250 -12.626 -2.962 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.324 -13.224 -4.358 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.732 -11.196 -3.020 1.00 0.00 C ATOM 0 H LEU A 26 -1.780 -14.313 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.928 -11.603 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.057 -13.654 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.267 -11.942 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.554 -13.221 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.340 -13.182 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.651 -14.262 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.035 -12.657 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.244 -11.182 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.429 -10.579 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.639 -10.801 -2.008 1.00 0.00 H new ATOM 374 N ALA A 27 -4.998 -12.851 -0.482 1.00 0.00 N ATOM 375 CA ALA A 27 -6.372 -12.551 -0.099 1.00 0.00 C ATOM 376 C ALA A 27 -6.436 -11.977 1.312 1.00 0.00 C ATOM 377 O ALA A 27 -7.362 -11.242 1.653 1.00 0.00 O ATOM 378 CB ALA A 27 -7.234 -13.801 -0.201 1.00 0.00 C ATOM 0 H ALA A 27 -4.860 -13.789 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.758 -11.799 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.257 -13.562 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.223 -14.168 -1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.840 -14.570 0.463 1.00 0.00 H new ATOM 384 N GLY A 28 -5.444 -12.318 2.130 1.00 0.00 N ATOM 385 CA GLY A 28 -5.407 -11.827 3.496 1.00 0.00 C ATOM 386 C GLY A 28 -5.020 -10.364 3.576 1.00 0.00 C ATOM 387 O GLY A 28 -5.815 -9.526 4.004 1.00 0.00 O ATOM 0 H GLY A 28 -4.666 -12.925 1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.386 -11.966 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.697 -12.420 4.073 1.00 0.00 H new ATOM 391 N LEU A 29 -3.796 -10.054 3.165 1.00 0.00 N ATOM 392 CA LEU A 29 -3.303 -8.681 3.193 1.00 0.00 C ATOM 393 C LEU A 29 -4.294 -7.733 2.525 1.00 0.00 C ATOM 394 O LEU A 29 -4.534 -6.628 3.009 1.00 0.00 O ATOM 395 CB LEU A 29 -1.945 -8.591 2.497 1.00 0.00 C ATOM 396 CG LEU A 29 -0.879 -9.578 2.974 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.319 -9.565 2.037 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.449 -9.252 4.397 1.00 0.00 C ATOM 0 H LEU A 29 -3.126 -10.735 2.808 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.190 -8.383 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.097 -8.740 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.559 -7.580 2.627 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.309 -10.579 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.067 -10.274 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.001 -9.848 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.750 -8.564 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.310 -9.965 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.037 -8.243 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.311 -9.314 5.061 1.00 0.00 H new ATOM 410 N ALA A 30 -4.868 -8.175 1.411 1.00 0.00 N ATOM 411 CA ALA A 30 -5.836 -7.368 0.678 1.00 0.00 C ATOM 412 C ALA A 30 -6.868 -6.759 1.621 1.00 0.00 C ATOM 413 O ALA A 30 -7.006 -5.538 1.702 1.00 0.00 O ATOM 414 CB ALA A 30 -6.523 -8.208 -0.388 1.00 0.00 C ATOM 0 H ALA A 30 -4.680 -9.088 0.996 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.300 -6.553 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.243 -7.593 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.778 -8.591 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.041 -9.043 0.084 1.00 0.00 H new ATOM 420 N LEU A 31 -7.592 -7.616 2.332 1.00 0.00 N ATOM 421 CA LEU A 31 -8.613 -7.162 3.269 1.00 0.00 C ATOM 422 C LEU A 31 -7.978 -6.517 4.497 1.00 0.00 C ATOM 423 O LEU A 31 -8.392 -5.443 4.932 1.00 0.00 O ATOM 424 CB LEU A 31 -9.499 -8.334 3.696 1.00 0.00 C ATOM 425 CG LEU A 31 -10.101 -9.168 2.564 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.308 -10.606 3.013 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.414 -8.559 2.094 1.00 0.00 C ATOM 0 H LEU A 31 -7.491 -8.629 2.277 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.226 -6.415 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.911 -8.994 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.314 -7.944 4.306 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.403 -9.168 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.737 -11.184 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.350 -11.039 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.986 -10.627 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.828 -9.165 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.119 -8.529 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.236 -7.546 1.732 1.00 0.00 H new ATOM 439 N LYS A 32 -6.966 -7.178 5.049 1.00 0.00 N ATOM 440 CA LYS A 32 -6.269 -6.669 6.224 1.00 0.00 C ATOM 441 C LYS A 32 -6.118 -5.153 6.152 1.00 0.00 C ATOM 442 O LYS A 32 -6.129 -4.469 7.176 1.00 0.00 O ATOM 443 CB LYS A 32 -4.892 -7.324 6.350 1.00 0.00 C ATOM 444 CG LYS A 32 -4.228 -7.092 7.696 1.00 0.00 C ATOM 445 CD LYS A 32 -2.732 -7.349 7.632 1.00 0.00 C ATOM 446 CE LYS A 32 -2.428 -8.830 7.467 1.00 0.00 C ATOM 447 NZ LYS A 32 -2.779 -9.608 8.687 1.00 0.00 N ATOM 0 H LYS A 32 -6.610 -8.068 4.701 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.863 -6.916 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.993 -8.397 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.243 -6.940 5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.408 -6.067 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.679 -7.746 8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.301 -6.793 6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.259 -6.978 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.983 -9.222 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.369 -8.961 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.347 -10.553 8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.423 -9.113 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.813 -9.703 8.753 1.00 0.00 H new ATOM 461 N TYR A 33 -5.978 -4.634 4.938 1.00 0.00 N ATOM 462 CA TYR A 33 -5.823 -3.199 4.733 1.00 0.00 C ATOM 463 C TYR A 33 -7.104 -2.587 4.174 1.00 0.00 C ATOM 464 O TYR A 33 -7.833 -1.890 4.879 1.00 0.00 O ATOM 465 CB TYR A 33 -4.656 -2.920 3.785 1.00 0.00 C ATOM 466 CG TYR A 33 -3.299 -3.138 4.415 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.701 -2.146 5.183 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.614 -4.334 4.241 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.461 -2.340 5.760 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.374 -4.537 4.816 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.802 -3.537 5.574 1.00 0.00 C ATOM 472 OH TYR A 33 0.433 -3.735 6.147 1.00 0.00 O ATOM 0 H TYR A 33 -5.969 -5.186 4.080 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.614 -2.741 5.700 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.748 -3.563 2.910 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.723 -1.891 3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.214 -1.208 5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.058 -5.118 3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.010 -1.558 6.354 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.856 -5.474 4.673 1.00 0.00 H new ATOM 0 HH TYR A 33 0.605 -4.696 6.229 1.00 0.00 H new ATOM 482 N GLY A 34 -7.373 -2.855 2.899 1.00 0.00 N ATOM 483 CA GLY A 34 -8.566 -2.325 2.265 1.00 0.00 C ATOM 484 C GLY A 34 -8.454 -2.293 0.754 1.00 0.00 C ATOM 485 O GLY A 34 -8.980 -1.389 0.104 1.00 0.00 O ATOM 0 H GLY A 34 -6.786 -3.430 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.425 -2.932 2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.752 -1.316 2.634 1.00 0.00 H new ATOM 489 N VAL A 35 -7.765 -3.281 0.192 1.00 0.00 N ATOM 490 CA VAL A 35 -7.584 -3.361 -1.253 1.00 0.00 C ATOM 491 C VAL A 35 -7.830 -4.778 -1.759 1.00 0.00 C ATOM 492 O VAL A 35 -8.222 -5.663 -0.997 1.00 0.00 O ATOM 493 CB VAL A 35 -6.169 -2.918 -1.667 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.868 -1.525 -1.134 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.133 -3.920 -1.180 1.00 0.00 C ATOM 0 H VAL A 35 -7.323 -4.037 0.715 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.313 -2.686 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.122 -2.882 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.864 -1.229 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.592 -0.817 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.932 -1.530 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.139 -3.591 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.178 -3.991 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.339 -4.898 -1.616 1.00 0.00 H new ATOM 505 N THR A 36 -7.596 -4.988 -3.051 1.00 0.00 N ATOM 506 CA THR A 36 -7.792 -6.298 -3.660 1.00 0.00 C ATOM 507 C THR A 36 -6.460 -6.925 -4.055 1.00 0.00 C ATOM 508 O THR A 36 -5.576 -6.248 -4.580 1.00 0.00 O ATOM 509 CB THR A 36 -8.695 -6.208 -4.905 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.404 -7.288 -5.799 1.00 0.00 O ATOM 511 CG2 THR A 36 -8.498 -4.882 -5.622 1.00 0.00 C ATOM 0 H THR A 36 -7.271 -4.268 -3.696 1.00 0.00 H new ATOM 0 HA THR A 36 -8.278 -6.926 -2.913 1.00 0.00 H new ATOM 0 HB THR A 36 -9.733 -6.275 -4.580 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.983 -7.225 -6.587 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.146 -4.842 -6.498 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.748 -4.063 -4.948 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.458 -4.789 -5.936 1.00 0.00 H new ATOM 519 N MET A 37 -6.324 -8.222 -3.802 1.00 0.00 N ATOM 520 CA MET A 37 -5.099 -8.941 -4.134 1.00 0.00 C ATOM 521 C MET A 37 -4.503 -8.424 -5.439 1.00 0.00 C ATOM 522 O MET A 37 -3.323 -8.078 -5.498 1.00 0.00 O ATOM 523 CB MET A 37 -5.378 -10.441 -4.246 1.00 0.00 C ATOM 524 CG MET A 37 -5.943 -11.051 -2.973 1.00 0.00 C ATOM 525 SD MET A 37 -7.010 -12.468 -3.297 1.00 0.00 S ATOM 526 CE MET A 37 -5.844 -13.608 -4.037 1.00 0.00 C ATOM 0 H MET A 37 -7.046 -8.797 -3.368 1.00 0.00 H new ATOM 0 HA MET A 37 -4.379 -8.771 -3.334 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.079 -10.612 -5.063 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.453 -10.956 -4.506 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.121 -11.360 -2.327 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.507 -10.293 -2.430 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.102 -13.763 -5.085 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.838 -13.195 -3.969 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.882 -14.561 -3.509 1.00 0.00 H new ATOM 536 N GLU A 38 -5.325 -8.375 -6.482 1.00 0.00 N ATOM 537 CA GLU A 38 -4.876 -7.901 -7.786 1.00 0.00 C ATOM 538 C GLU A 38 -4.111 -6.588 -7.654 1.00 0.00 C ATOM 539 O GLU A 38 -2.955 -6.488 -8.062 1.00 0.00 O ATOM 540 CB GLU A 38 -6.070 -7.717 -8.725 1.00 0.00 C ATOM 541 CG GLU A 38 -5.695 -7.143 -10.081 1.00 0.00 C ATOM 542 CD GLU A 38 -6.877 -7.065 -11.029 1.00 0.00 C ATOM 543 OE1 GLU A 38 -7.480 -8.121 -11.312 1.00 0.00 O ATOM 544 OE2 GLU A 38 -7.198 -5.948 -11.486 1.00 0.00 O ATOM 0 H GLU A 38 -6.305 -8.657 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.205 -8.651 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.559 -8.680 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.797 -7.059 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.276 -6.146 -9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.915 -7.759 -10.529 1.00 0.00 H new ATOM 551 N GLN A 39 -4.767 -5.583 -7.082 1.00 0.00 N ATOM 552 CA GLN A 39 -4.149 -4.275 -6.897 1.00 0.00 C ATOM 553 C GLN A 39 -2.722 -4.416 -6.378 1.00 0.00 C ATOM 554 O GLN A 39 -1.768 -4.006 -7.041 1.00 0.00 O ATOM 555 CB GLN A 39 -4.976 -3.430 -5.926 1.00 0.00 C ATOM 556 CG GLN A 39 -6.047 -2.593 -6.608 1.00 0.00 C ATOM 557 CD GLN A 39 -6.600 -1.507 -5.707 1.00 0.00 C ATOM 558 OE1 GLN A 39 -6.987 -1.766 -4.568 1.00 0.00 O ATOM 559 NE2 GLN A 39 -6.640 -0.280 -6.215 1.00 0.00 N ATOM 0 H GLN A 39 -5.725 -5.649 -6.739 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.116 -3.776 -7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.450 -4.088 -5.198 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.308 -2.770 -5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.630 -2.137 -7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.861 -3.243 -6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.309 -0.110 -7.165 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.002 0.492 -5.655 1.00 0.00 H new ATOM 568 N ILE A 40 -2.583 -4.996 -5.191 1.00 0.00 N ATOM 569 CA ILE A 40 -1.272 -5.191 -4.585 1.00 0.00 C ATOM 570 C ILE A 40 -0.281 -5.767 -5.591 1.00 0.00 C ATOM 571 O ILE A 40 0.811 -5.231 -5.780 1.00 0.00 O ATOM 572 CB ILE A 40 -1.350 -6.127 -3.365 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.236 -5.513 -2.279 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.044 -6.406 -2.822 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.533 -6.458 -1.135 1.00 0.00 C ATOM 0 H ILE A 40 -3.362 -5.339 -4.630 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.926 -4.210 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.794 -7.072 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.749 -4.621 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.176 -5.191 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.027 -7.069 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.648 -6.881 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.512 -5.469 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.165 -5.956 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.049 -7.340 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.599 -6.760 -0.661 1.00 0.00 H new ATOM 587 N LYS A 41 -0.670 -6.861 -6.236 1.00 0.00 N ATOM 588 CA LYS A 41 0.181 -7.510 -7.227 1.00 0.00 C ATOM 589 C LYS A 41 0.536 -6.545 -8.354 1.00 0.00 C ATOM 590 O LYS A 41 1.689 -6.137 -8.494 1.00 0.00 O ATOM 591 CB LYS A 41 -0.517 -8.745 -7.799 1.00 0.00 C ATOM 592 CG LYS A 41 -0.922 -9.759 -6.743 1.00 0.00 C ATOM 593 CD LYS A 41 -2.101 -10.601 -7.201 1.00 0.00 C ATOM 594 CE LYS A 41 -1.652 -11.756 -8.083 1.00 0.00 C ATOM 595 NZ LYS A 41 -2.792 -12.367 -8.820 1.00 0.00 N ATOM 0 H LYS A 41 -1.570 -7.318 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 41 1.102 -7.818 -6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.405 -8.429 -8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.146 -9.227 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.076 -10.408 -6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.181 -9.240 -5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.631 -10.990 -6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.805 -9.975 -7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.908 -11.401 -8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.168 -12.515 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.444 -13.150 -9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.491 -12.729 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.238 -11.649 -9.426 1.00 0.00 H new ATOM 609 N ARG A 42 -0.462 -6.185 -9.154 1.00 0.00 N ATOM 610 CA ARG A 42 -0.254 -5.268 -10.269 1.00 0.00 C ATOM 611 C ARG A 42 0.540 -4.043 -9.825 1.00 0.00 C ATOM 612 O ARG A 42 1.272 -3.447 -10.613 1.00 0.00 O ATOM 613 CB ARG A 42 -1.598 -4.832 -10.856 1.00 0.00 C ATOM 614 CG ARG A 42 -1.524 -4.443 -12.323 1.00 0.00 C ATOM 615 CD ARG A 42 -2.638 -3.479 -12.700 1.00 0.00 C ATOM 616 NE ARG A 42 -2.639 -3.175 -14.129 1.00 0.00 N ATOM 617 CZ ARG A 42 -3.059 -4.024 -15.060 1.00 0.00 C ATOM 618 NH1 ARG A 42 -3.510 -5.223 -14.715 1.00 0.00 N ATOM 619 NH2 ARG A 42 -3.029 -3.675 -16.340 1.00 0.00 N ATOM 0 H ARG A 42 -1.422 -6.514 -9.051 1.00 0.00 H new ATOM 0 HA ARG A 42 0.317 -5.792 -11.035 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.316 -5.644 -10.740 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.978 -3.986 -10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.558 -3.983 -12.530 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.591 -5.338 -12.942 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.600 -3.909 -12.420 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.525 -2.555 -12.133 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.299 -2.261 -14.428 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.535 -5.495 -13.732 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.832 -5.873 -15.432 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.683 -2.754 -16.610 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.352 -4.328 -17.054 1.00 0.00 H new ATOM 633 N ALA A 43 0.388 -3.674 -8.557 1.00 0.00 N ATOM 634 CA ALA A 43 1.092 -2.521 -8.008 1.00 0.00 C ATOM 635 C ALA A 43 2.591 -2.786 -7.915 1.00 0.00 C ATOM 636 O ALA A 43 3.403 -1.879 -8.093 1.00 0.00 O ATOM 637 CB ALA A 43 0.532 -2.164 -6.639 1.00 0.00 C ATOM 0 H ALA A 43 -0.216 -4.156 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 43 0.940 -1.678 -8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.067 -1.302 -6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.527 -1.924 -6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.655 -3.011 -5.964 1.00 0.00 H new ATOM 643 N ASN A 44 2.950 -4.035 -7.636 1.00 0.00 N ATOM 644 CA ASN A 44 4.352 -4.419 -7.519 1.00 0.00 C ATOM 645 C ASN A 44 4.684 -5.565 -8.469 1.00 0.00 C ATOM 646 O ASN A 44 5.654 -6.295 -8.263 1.00 0.00 O ATOM 647 CB ASN A 44 4.673 -4.826 -6.079 1.00 0.00 C ATOM 648 CG ASN A 44 4.196 -3.801 -5.068 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.330 -2.596 -5.280 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.636 -4.277 -3.962 1.00 0.00 N ATOM 0 H ASN A 44 2.290 -4.798 -7.487 1.00 0.00 H new ATOM 0 HA ASN A 44 4.962 -3.558 -7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.208 -5.788 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.749 -4.962 -5.974 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.296 -3.635 -3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.546 -5.284 -3.829 1.00 0.00 H new ATOM 657 N ARG A 45 3.872 -5.716 -9.511 1.00 0.00 N ATOM 658 CA ARG A 45 4.079 -6.774 -10.493 1.00 0.00 C ATOM 659 C ARG A 45 4.665 -8.020 -9.835 1.00 0.00 C ATOM 660 O ARG A 45 5.628 -8.604 -10.334 1.00 0.00 O ATOM 661 CB ARG A 45 5.007 -6.289 -11.609 1.00 0.00 C ATOM 662 CG ARG A 45 6.371 -5.838 -11.113 1.00 0.00 C ATOM 663 CD ARG A 45 7.074 -4.961 -12.137 1.00 0.00 C ATOM 664 NE ARG A 45 8.439 -4.634 -11.734 1.00 0.00 N ATOM 665 CZ ARG A 45 9.430 -5.518 -11.712 1.00 0.00 C ATOM 666 NH1 ARG A 45 9.209 -6.776 -12.069 1.00 0.00 N ATOM 667 NH2 ARG A 45 10.645 -5.145 -11.333 1.00 0.00 N ATOM 0 H ARG A 45 3.066 -5.120 -9.697 1.00 0.00 H new ATOM 0 HA ARG A 45 3.110 -7.032 -10.921 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.141 -7.092 -12.334 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.529 -5.462 -12.134 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.256 -5.288 -10.179 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.987 -6.711 -10.895 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.093 -5.472 -13.100 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.507 -4.041 -12.276 1.00 0.00 H new ATOM 0 HE ARG A 45 8.642 -3.674 -11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.276 -7.067 -12.361 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.972 -7.453 -12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.819 -4.178 -11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.405 -5.825 -11.316 1.00 0.00 H new ATOM 681 N LEU A 46 4.078 -8.422 -8.713 1.00 0.00 N ATOM 682 CA LEU A 46 4.542 -9.598 -7.986 1.00 0.00 C ATOM 683 C LEU A 46 4.233 -10.875 -8.762 1.00 0.00 C ATOM 684 O LEU A 46 4.782 -11.938 -8.472 1.00 0.00 O ATOM 685 CB LEU A 46 3.889 -9.658 -6.604 1.00 0.00 C ATOM 686 CG LEU A 46 4.615 -8.908 -5.486 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.797 -8.938 -4.205 1.00 0.00 C ATOM 688 CD2 LEU A 46 5.996 -9.505 -5.254 1.00 0.00 C ATOM 0 H LEU A 46 3.280 -7.951 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 46 5.623 -9.518 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.878 -9.260 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.797 -10.704 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 46 4.737 -7.868 -5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.329 -8.400 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.831 -8.464 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.644 -9.972 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.499 -8.959 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.897 -10.553 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.583 -9.431 -6.169 1.00 0.00 H new ATOM 700 N TYR A 47 3.354 -10.761 -9.751 1.00 0.00 N ATOM 701 CA TYR A 47 2.972 -11.906 -10.570 1.00 0.00 C ATOM 702 C TYR A 47 4.203 -12.600 -11.144 1.00 0.00 C ATOM 703 O TYR A 47 4.838 -12.098 -12.072 1.00 0.00 O ATOM 704 CB TYR A 47 2.047 -11.462 -11.704 1.00 0.00 C ATOM 705 CG TYR A 47 2.695 -10.500 -12.673 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.713 -9.134 -12.418 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.289 -10.955 -13.844 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.304 -8.250 -13.300 1.00 0.00 C ATOM 709 CE2 TYR A 47 3.883 -10.079 -14.731 1.00 0.00 C ATOM 710 CZ TYR A 47 3.888 -8.727 -14.455 1.00 0.00 C ATOM 711 OH TYR A 47 4.478 -7.851 -15.337 1.00 0.00 O ATOM 0 H TYR A 47 2.892 -9.888 -10.005 1.00 0.00 H new ATOM 0 HA TYR A 47 2.442 -12.615 -9.934 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.708 -12.342 -12.251 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.161 -10.992 -11.276 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.257 -8.757 -11.515 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.286 -12.012 -14.064 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.309 -7.191 -13.086 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.341 -10.450 -15.636 1.00 0.00 H new ATOM 0 HH TYR A 47 4.843 -8.349 -16.098 1.00 0.00 H new ATOM 721 N THR A 48 4.535 -13.760 -10.585 1.00 0.00 N ATOM 722 CA THR A 48 5.690 -14.524 -11.040 1.00 0.00 C ATOM 723 C THR A 48 5.347 -16.002 -11.188 1.00 0.00 C ATOM 724 O THR A 48 4.370 -16.482 -10.616 1.00 0.00 O ATOM 725 CB THR A 48 6.877 -14.378 -10.069 1.00 0.00 C ATOM 726 OG1 THR A 48 6.478 -14.753 -8.746 1.00 0.00 O ATOM 727 CG2 THR A 48 7.398 -12.949 -10.062 1.00 0.00 C ATOM 0 H THR A 48 4.020 -14.191 -9.817 1.00 0.00 H new ATOM 0 HA THR A 48 5.974 -14.121 -12.012 1.00 0.00 H new ATOM 0 HB THR A 48 7.677 -15.037 -10.406 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.520 -15.728 -8.656 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.236 -12.871 -9.369 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.729 -12.678 -11.064 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.603 -12.273 -9.748 1.00 0.00 H new ATOM 735 N ASN A 49 6.159 -16.719 -11.958 1.00 0.00 N ATOM 736 CA ASN A 49 5.942 -18.143 -12.181 1.00 0.00 C ATOM 737 C ASN A 49 5.775 -18.882 -10.856 1.00 0.00 C ATOM 738 O ASN A 49 4.944 -19.782 -10.736 1.00 0.00 O ATOM 739 CB ASN A 49 7.109 -18.742 -12.968 1.00 0.00 C ATOM 740 CG ASN A 49 8.334 -18.968 -12.104 1.00 0.00 C ATOM 741 OD1 ASN A 49 8.430 -19.968 -11.393 1.00 0.00 O ATOM 742 ND2 ASN A 49 9.278 -18.036 -12.161 1.00 0.00 N ATOM 0 H ASN A 49 6.974 -16.337 -12.438 1.00 0.00 H new ATOM 0 HA ASN A 49 5.026 -18.259 -12.760 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.798 -19.690 -13.408 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.367 -18.077 -13.792 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.125 -18.133 -11.601 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.156 -17.223 -12.765 1.00 0.00 H new ATOM 749 N ASP A 50 6.570 -18.494 -9.865 1.00 0.00 N ATOM 750 CA ASP A 50 6.511 -19.118 -8.548 1.00 0.00 C ATOM 751 C ASP A 50 5.793 -18.213 -7.551 1.00 0.00 C ATOM 752 O ASP A 50 5.733 -16.997 -7.732 1.00 0.00 O ATOM 753 CB ASP A 50 7.920 -19.434 -8.046 1.00 0.00 C ATOM 754 CG ASP A 50 8.613 -20.486 -8.890 1.00 0.00 C ATOM 755 OD1 ASP A 50 7.966 -21.502 -9.221 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.802 -20.293 -9.220 1.00 0.00 O ATOM 0 H ASP A 50 7.263 -17.750 -9.948 1.00 0.00 H new ATOM 0 HA ASP A 50 5.950 -20.048 -8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.516 -18.521 -8.047 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.866 -19.779 -7.013 1.00 0.00 H new ATOM 761 N SER A 51 5.249 -18.816 -6.498 1.00 0.00 N ATOM 762 CA SER A 51 4.531 -18.066 -5.475 1.00 0.00 C ATOM 763 C SER A 51 5.229 -16.740 -5.183 1.00 0.00 C ATOM 764 O SER A 51 6.413 -16.573 -5.473 1.00 0.00 O ATOM 765 CB SER A 51 4.422 -18.891 -4.191 1.00 0.00 C ATOM 766 OG SER A 51 3.486 -19.944 -4.340 1.00 0.00 O ATOM 0 H SER A 51 5.292 -19.821 -6.332 1.00 0.00 H new ATOM 0 HA SER A 51 3.529 -17.855 -5.850 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.399 -19.302 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.121 -18.246 -3.365 1.00 0.00 H new ATOM 0 HG SER A 51 3.436 -20.457 -3.507 1.00 0.00 H new ATOM 772 N ILE A 52 4.485 -15.802 -4.607 1.00 0.00 N ATOM 773 CA ILE A 52 5.031 -14.492 -4.275 1.00 0.00 C ATOM 774 C ILE A 52 5.987 -14.579 -3.090 1.00 0.00 C ATOM 775 O ILE A 52 6.842 -13.713 -2.904 1.00 0.00 O ATOM 776 CB ILE A 52 3.914 -13.484 -3.946 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.077 -13.984 -2.767 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.035 -13.250 -5.165 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.463 -12.871 -1.946 1.00 0.00 C ATOM 0 H ILE A 52 3.503 -15.925 -4.361 1.00 0.00 H new ATOM 0 HA ILE A 52 5.576 -14.145 -5.153 1.00 0.00 H new ATOM 0 HB ILE A 52 4.372 -12.536 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.282 -14.628 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.705 -14.597 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.251 -12.535 -4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.641 -12.854 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.583 -14.192 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.884 -13.299 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.253 -12.240 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.809 -12.271 -2.578 1.00 0.00 H new ATOM 791 N PHE A 53 5.838 -15.632 -2.293 1.00 0.00 N ATOM 792 CA PHE A 53 6.689 -15.834 -1.126 1.00 0.00 C ATOM 793 C PHE A 53 8.160 -15.653 -1.488 1.00 0.00 C ATOM 794 O PHE A 53 9.003 -15.428 -0.618 1.00 0.00 O ATOM 795 CB PHE A 53 6.464 -17.229 -0.540 1.00 0.00 C ATOM 796 CG PHE A 53 5.225 -17.332 0.304 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.180 -16.761 1.565 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.106 -18.001 -0.165 1.00 0.00 C ATOM 799 CE1 PHE A 53 4.042 -16.853 2.343 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.965 -18.097 0.609 1.00 0.00 C ATOM 801 CZ PHE A 53 2.933 -17.523 1.865 1.00 0.00 C ATOM 0 H PHE A 53 5.136 -16.358 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 53 6.422 -15.086 -0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.400 -17.951 -1.354 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.329 -17.505 0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.045 -16.237 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.126 -18.452 -1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.020 -16.401 3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.099 -18.621 0.232 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.043 -17.598 2.472 1.00 0.00 H new ATOM 811 N LEU A 54 8.462 -15.754 -2.778 1.00 0.00 N ATOM 812 CA LEU A 54 9.832 -15.603 -3.257 1.00 0.00 C ATOM 813 C LEU A 54 10.511 -14.408 -2.596 1.00 0.00 C ATOM 814 O LEU A 54 11.687 -14.469 -2.235 1.00 0.00 O ATOM 815 CB LEU A 54 9.846 -15.435 -4.778 1.00 0.00 C ATOM 816 CG LEU A 54 9.365 -16.638 -5.590 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.751 -16.183 -6.905 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.514 -17.604 -5.842 1.00 0.00 C ATOM 0 H LEU A 54 7.777 -15.940 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 54 10.385 -16.504 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.225 -14.577 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.863 -15.196 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 54 8.598 -17.158 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.414 -17.053 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.902 -15.530 -6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.496 -15.640 -7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.154 -18.454 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.302 -17.095 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.910 -17.955 -4.889 1.00 0.00 H new ATOM 830 N LYS A 55 9.763 -13.321 -2.438 1.00 0.00 N ATOM 831 CA LYS A 55 10.290 -12.112 -1.817 1.00 0.00 C ATOM 832 C LYS A 55 10.278 -12.232 -0.296 1.00 0.00 C ATOM 833 O LYS A 55 9.926 -13.277 0.252 1.00 0.00 O ATOM 834 CB LYS A 55 9.472 -10.893 -2.250 1.00 0.00 C ATOM 835 CG LYS A 55 9.563 -10.597 -3.737 1.00 0.00 C ATOM 836 CD LYS A 55 9.417 -9.111 -4.019 1.00 0.00 C ATOM 837 CE LYS A 55 9.833 -8.771 -5.442 1.00 0.00 C ATOM 838 NZ LYS A 55 9.434 -7.387 -5.821 1.00 0.00 N ATOM 0 H LYS A 55 8.789 -13.253 -2.732 1.00 0.00 H new ATOM 0 HA LYS A 55 11.321 -11.985 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.427 -11.053 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.813 -10.020 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.520 -10.949 -4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.785 -11.147 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.382 -8.809 -3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.027 -8.544 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.913 -8.877 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.379 -9.482 -6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.735 -7.194 -6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.401 -7.293 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.887 -6.707 -5.178 1.00 0.00 H new ATOM 852 N LYS A 56 10.663 -11.155 0.380 1.00 0.00 N ATOM 853 CA LYS A 56 10.693 -11.137 1.838 1.00 0.00 C ATOM 854 C LYS A 56 9.743 -10.080 2.389 1.00 0.00 C ATOM 855 O LYS A 56 9.034 -10.316 3.368 1.00 0.00 O ATOM 856 CB LYS A 56 12.116 -10.869 2.335 1.00 0.00 C ATOM 857 CG LYS A 56 12.371 -11.372 3.746 1.00 0.00 C ATOM 858 CD LYS A 56 12.580 -12.876 3.773 1.00 0.00 C ATOM 859 CE LYS A 56 12.335 -13.448 5.161 1.00 0.00 C ATOM 860 NZ LYS A 56 13.577 -13.463 5.982 1.00 0.00 N ATOM 0 H LYS A 56 10.959 -10.283 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 56 10.367 -12.114 2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.825 -11.343 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.309 -9.797 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.249 -10.874 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.528 -11.110 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.907 -13.351 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.597 -13.109 3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.572 -12.857 5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.946 -14.462 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.368 -13.860 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.297 -14.047 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.935 -12.492 6.088 1.00 0.00 H new ATOM 874 N THR A 57 9.732 -8.912 1.755 1.00 0.00 N ATOM 875 CA THR A 57 8.868 -7.818 2.182 1.00 0.00 C ATOM 876 C THR A 57 8.017 -7.306 1.025 1.00 0.00 C ATOM 877 O THR A 57 8.508 -7.134 -0.092 1.00 0.00 O ATOM 878 CB THR A 57 9.687 -6.648 2.759 1.00 0.00 C ATOM 879 OG1 THR A 57 10.976 -6.599 2.138 1.00 0.00 O ATOM 880 CG2 THR A 57 9.849 -6.793 4.265 1.00 0.00 C ATOM 0 H THR A 57 10.312 -8.699 0.943 1.00 0.00 H new ATOM 0 HA THR A 57 8.217 -8.215 2.961 1.00 0.00 H new ATOM 0 HB THR A 57 9.151 -5.721 2.554 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.490 -5.851 2.509 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.431 -5.956 4.651 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.867 -6.801 4.738 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.366 -7.727 4.487 1.00 0.00 H new ATOM 888 N LEU A 58 6.741 -7.062 1.299 1.00 0.00 N ATOM 889 CA LEU A 58 5.821 -6.568 0.280 1.00 0.00 C ATOM 890 C LEU A 58 5.193 -5.245 0.709 1.00 0.00 C ATOM 891 O LEU A 58 4.689 -5.118 1.825 1.00 0.00 O ATOM 892 CB LEU A 58 4.725 -7.601 0.009 1.00 0.00 C ATOM 893 CG LEU A 58 5.169 -8.877 -0.707 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.968 -9.610 -1.284 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.174 -8.552 -1.802 1.00 0.00 C ATOM 0 H LEU A 58 6.319 -7.198 2.218 1.00 0.00 H new ATOM 0 HA LEU A 58 6.388 -6.401 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.273 -7.881 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.945 -7.126 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 58 5.653 -9.529 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.303 -10.516 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.283 -9.876 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.456 -8.964 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.479 -9.472 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.716 -7.880 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.048 -8.071 -1.363 1.00 0.00 H new ATOM 907 N TYR A 59 5.226 -4.264 -0.186 1.00 0.00 N ATOM 908 CA TYR A 59 4.661 -2.950 0.100 1.00 0.00 C ATOM 909 C TYR A 59 3.152 -2.946 -0.126 1.00 0.00 C ATOM 910 O TYR A 59 2.644 -3.630 -1.014 1.00 0.00 O ATOM 911 CB TYR A 59 5.322 -1.886 -0.777 1.00 0.00 C ATOM 912 CG TYR A 59 6.753 -2.207 -1.145 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.609 -2.804 -0.229 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.248 -1.915 -2.410 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.918 -3.099 -0.560 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.554 -2.208 -2.751 1.00 0.00 C ATOM 917 CZ TYR A 59 9.385 -2.799 -1.823 1.00 0.00 C ATOM 918 OH TYR A 59 10.687 -3.093 -2.158 1.00 0.00 O ATOM 0 H TYR A 59 5.638 -4.353 -1.115 1.00 0.00 H new ATOM 0 HA TYR A 59 4.854 -2.719 1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.739 -1.767 -1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.296 -0.930 -0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.245 -3.042 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.600 -1.451 -3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.571 -3.561 0.165 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.922 -1.975 -3.739 1.00 0.00 H new ATOM 0 HH TYR A 59 10.856 -2.820 -3.084 1.00 0.00 H new ATOM 928 N ILE A 60 2.442 -2.168 0.685 1.00 0.00 N ATOM 929 CA ILE A 60 0.992 -2.073 0.573 1.00 0.00 C ATOM 930 C ILE A 60 0.562 -0.660 0.192 1.00 0.00 C ATOM 931 O ILE A 60 0.872 0.316 0.875 1.00 0.00 O ATOM 932 CB ILE A 60 0.298 -2.470 1.890 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.705 -3.888 2.298 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.213 -2.368 1.745 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.058 -4.967 1.458 1.00 0.00 C ATOM 0 H ILE A 60 2.847 -1.595 1.426 1.00 0.00 H new ATOM 0 HA ILE A 60 0.690 -2.767 -0.211 1.00 0.00 H new ATOM 0 HB ILE A 60 0.615 -1.781 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.788 -3.982 2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.442 -4.046 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.689 -2.652 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.486 -1.343 1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.548 -3.036 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.392 -5.946 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.026 -4.900 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.342 -4.834 0.414 1.00 0.00 H new ATOM 947 N PRO A 61 -0.172 -0.546 -0.925 1.00 0.00 N ATOM 948 CA PRO A 61 -0.663 0.743 -1.422 1.00 0.00 C ATOM 949 C PRO A 61 -1.751 1.331 -0.530 1.00 0.00 C ATOM 950 O PRO A 61 -2.822 0.745 -0.372 1.00 0.00 O ATOM 951 CB PRO A 61 -1.231 0.398 -2.801 1.00 0.00 C ATOM 952 CG PRO A 61 -1.589 -1.045 -2.713 1.00 0.00 C ATOM 953 CD PRO A 61 -0.580 -1.667 -1.789 1.00 0.00 C ATOM 0 HA PRO A 61 0.124 1.497 -1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.103 1.009 -3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.498 0.577 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.601 -1.173 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.559 -1.515 -3.696 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.014 -2.483 -1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.266 -2.080 -2.338 1.00 0.00 H new ATOM 961 N ILE A 62 -1.469 2.493 0.050 1.00 0.00 N ATOM 962 CA ILE A 62 -2.425 3.161 0.925 1.00 0.00 C ATOM 963 C ILE A 62 -3.317 4.114 0.138 1.00 0.00 C ATOM 964 O ILE A 62 -2.839 5.078 -0.462 1.00 0.00 O ATOM 965 CB ILE A 62 -1.712 3.947 2.042 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.685 3.058 2.745 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.726 4.486 3.040 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.180 3.803 3.738 1.00 0.00 C ATOM 0 H ILE A 62 -0.587 2.991 -0.070 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.039 2.381 1.376 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.188 4.791 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.207 2.253 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.045 2.593 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.207 5.039 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.423 5.150 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.275 3.656 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.885 3.110 4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.730 4.591 3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.450 4.245 4.510 1.00 0.00 H new