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 X(o=-0.035,f=-0.035) USER MOD Set 1.2: A 33 TYR OH : rot 130:sc= -0.0353 USER MOD Single : A 19 GLN : amide:sc=-0.00301 X(o=-0.003,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -122:sc= -1.76 (180deg=-4.65!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 0.369 (180deg=-0.378) USER MOD Single : A 44 ASN : amide:sc= -0.23 K(o=-0.23,f=-0.87) USER MOD Single : A 47 TYR OH : rot 80:sc= -0.685 USER MOD Single : A 48 THR OG1 : rot 70:sc= 0.29 USER MOD Single : A 49 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.21) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ARG A 15 2.878 3.584 0.222 1.00 0.00 N ATOM 182 CA ARG A 15 3.201 2.170 0.372 1.00 0.00 C ATOM 183 C ARG A 15 3.730 1.879 1.773 1.00 0.00 C ATOM 184 O ARG A 15 4.576 2.608 2.293 1.00 0.00 O ATOM 185 CB ARG A 15 4.235 1.748 -0.673 1.00 0.00 C ATOM 186 CG ARG A 15 3.620 1.226 -1.962 1.00 0.00 C ATOM 187 CD ARG A 15 4.517 1.502 -3.158 1.00 0.00 C ATOM 188 NE ARG A 15 4.716 2.933 -3.375 1.00 0.00 N ATOM 189 CZ ARG A 15 5.342 3.436 -4.433 1.00 0.00 C ATOM 190 NH1 ARG A 15 5.828 2.628 -5.366 1.00 0.00 N ATOM 191 NH2 ARG A 15 5.483 4.749 -4.560 1.00 0.00 N ATOM 0 HA ARG A 15 2.287 1.596 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.874 2.600 -0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.875 0.976 -0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.447 0.153 -1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.648 1.694 -2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.483 1.021 -3.005 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.077 1.058 -4.051 1.00 0.00 H new ATOM 0 HE ARG A 15 4.354 3.581 -2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.721 1.618 -5.272 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.308 3.017 -6.178 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.111 5.373 -3.845 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.964 5.134 -5.373 1.00 0.00 H new ATOM 205 N LEU A 16 3.225 0.810 2.380 1.00 0.00 N ATOM 206 CA LEU A 16 3.646 0.422 3.722 1.00 0.00 C ATOM 207 C LEU A 16 4.474 -0.859 3.684 1.00 0.00 C ATOM 208 O LEU A 16 4.064 -1.856 3.091 1.00 0.00 O ATOM 209 CB LEU A 16 2.426 0.228 4.624 1.00 0.00 C ATOM 210 CG LEU A 16 2.675 -0.512 5.939 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.789 0.160 6.726 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.399 -0.575 6.765 1.00 0.00 C ATOM 0 H LEU A 16 2.524 0.197 1.964 1.00 0.00 H new ATOM 0 HA LEU A 16 4.266 1.221 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.010 1.209 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.666 -0.316 4.062 1.00 0.00 H new ATOM 0 HG LEU A 16 2.985 -1.531 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.952 -0.380 7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.706 0.153 6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.508 1.190 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.595 -1.105 7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.059 0.437 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.628 -1.102 6.203 1.00 0.00 H new ATOM 224 N GLU A 17 5.640 -0.823 4.322 1.00 0.00 N ATOM 225 CA GLU A 17 6.524 -1.982 4.361 1.00 0.00 C ATOM 226 C GLU A 17 5.979 -3.050 5.306 1.00 0.00 C ATOM 227 O GLU A 17 5.953 -2.863 6.523 1.00 0.00 O ATOM 228 CB GLU A 17 7.929 -1.564 4.801 1.00 0.00 C ATOM 229 CG GLU A 17 9.032 -2.432 4.219 1.00 0.00 C ATOM 230 CD GLU A 17 10.417 -1.892 4.517 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.759 -1.760 5.710 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.160 -1.603 3.555 1.00 0.00 O ATOM 0 H GLU A 17 5.994 -0.005 4.818 1.00 0.00 H new ATOM 0 HA GLU A 17 6.576 -2.403 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.100 -0.528 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.986 -1.600 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.945 -3.441 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.899 -2.506 3.140 1.00 0.00 H new ATOM 239 N HIS A 18 5.545 -4.169 4.736 1.00 0.00 N ATOM 240 CA HIS A 18 5.001 -5.268 5.527 1.00 0.00 C ATOM 241 C HIS A 18 5.969 -6.446 5.558 1.00 0.00 C ATOM 242 O HIS A 18 6.318 -7.002 4.517 1.00 0.00 O ATOM 243 CB HIS A 18 3.654 -5.715 4.958 1.00 0.00 C ATOM 244 CG HIS A 18 2.971 -6.759 5.786 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.124 -6.455 6.832 1.00 0.00 N ATOM 246 CD2 HIS A 18 3.011 -8.110 5.717 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.675 -7.575 7.371 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.198 -8.593 6.713 1.00 0.00 N ATOM 0 H HIS A 18 5.559 -4.339 3.730 1.00 0.00 H new ATOM 0 HA HIS A 18 4.857 -4.912 6.547 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.000 -4.847 4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.805 -6.103 3.951 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.577 -8.699 5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.996 -7.645 8.208 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.026 -9.579 6.912 1.00 0.00 H new ATOM 257 N GLN A 19 6.399 -6.821 6.759 1.00 0.00 N ATOM 258 CA GLN A 19 7.328 -7.932 6.924 1.00 0.00 C ATOM 259 C GLN A 19 6.674 -9.252 6.532 1.00 0.00 C ATOM 260 O GLN A 19 6.241 -10.023 7.390 1.00 0.00 O ATOM 261 CB GLN A 19 7.819 -8.003 8.372 1.00 0.00 C ATOM 262 CG GLN A 19 8.834 -9.108 8.617 1.00 0.00 C ATOM 263 CD GLN A 19 9.634 -8.895 9.887 1.00 0.00 C ATOM 264 OE1 GLN A 19 9.465 -9.618 10.869 1.00 0.00 O ATOM 265 NE2 GLN A 19 10.511 -7.898 9.873 1.00 0.00 N ATOM 0 H GLN A 19 6.119 -6.372 7.631 1.00 0.00 H new ATOM 0 HA GLN A 19 8.180 -7.760 6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.264 -7.046 8.643 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.963 -8.155 9.030 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.316 -10.065 8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.515 -9.165 7.768 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.618 -7.324 9.036 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.078 -7.706 10.699 1.00 0.00 H new ATOM 274 N LEU A 20 6.603 -9.508 5.230 1.00 0.00 N ATOM 275 CA LEU A 20 6.000 -10.736 4.723 1.00 0.00 C ATOM 276 C LEU A 20 6.449 -11.942 5.542 1.00 0.00 C ATOM 277 O LEU A 20 7.586 -12.396 5.421 1.00 0.00 O ATOM 278 CB LEU A 20 6.369 -10.938 3.252 1.00 0.00 C ATOM 279 CG LEU A 20 5.358 -11.715 2.407 1.00 0.00 C ATOM 280 CD1 LEU A 20 4.184 -10.825 2.027 1.00 0.00 C ATOM 281 CD2 LEU A 20 6.025 -12.281 1.163 1.00 0.00 C ATOM 0 H LEU A 20 6.956 -8.882 4.506 1.00 0.00 H new ATOM 0 HA LEU A 20 4.917 -10.644 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.516 -9.958 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.326 -11.457 3.206 1.00 0.00 H new ATOM 0 HG LEU A 20 4.980 -12.547 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.475 -11.395 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.690 -10.469 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.545 -9.973 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.290 -12.830 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.432 -11.465 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.831 -12.953 1.456 1.00 0.00 H new ATOM 293 N GLU A 21 5.547 -12.455 6.372 1.00 0.00 N ATOM 294 CA GLU A 21 5.852 -13.610 7.210 1.00 0.00 C ATOM 295 C GLU A 21 5.460 -14.908 6.510 1.00 0.00 C ATOM 296 O GLU A 21 4.583 -14.937 5.646 1.00 0.00 O ATOM 297 CB GLU A 21 5.123 -13.501 8.551 1.00 0.00 C ATOM 298 CG GLU A 21 5.811 -12.581 9.545 1.00 0.00 C ATOM 299 CD GLU A 21 4.884 -12.122 10.654 1.00 0.00 C ATOM 300 OE1 GLU A 21 4.207 -11.089 10.470 1.00 0.00 O ATOM 301 OE2 GLU A 21 4.836 -12.794 11.704 1.00 0.00 O ATOM 0 H GLU A 21 4.601 -12.091 6.483 1.00 0.00 H new ATOM 0 HA GLU A 21 6.927 -13.624 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.110 -13.140 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.036 -14.495 8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.665 -13.098 9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.201 -11.710 9.018 1.00 0.00 H new ATOM 308 N PRO A 22 6.127 -16.008 6.889 1.00 0.00 N ATOM 309 CA PRO A 22 5.867 -17.330 6.311 1.00 0.00 C ATOM 310 C PRO A 22 4.511 -17.889 6.728 1.00 0.00 C ATOM 311 O PRO A 22 4.410 -18.643 7.695 1.00 0.00 O ATOM 312 CB PRO A 22 6.998 -18.193 6.876 1.00 0.00 C ATOM 313 CG PRO A 22 7.391 -17.518 8.145 1.00 0.00 C ATOM 314 CD PRO A 22 7.185 -16.047 7.912 1.00 0.00 C ATOM 0 HA PRO A 22 5.839 -17.300 5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.664 -19.214 7.058 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.837 -18.251 6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.783 -17.870 8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.430 -17.732 8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.881 -15.534 8.825 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.098 -15.564 7.564 1.00 0.00 H new ATOM 322 N GLY A 23 3.469 -17.513 5.992 1.00 0.00 N ATOM 323 CA GLY A 23 2.133 -17.986 6.302 1.00 0.00 C ATOM 324 C GLY A 23 1.054 -17.045 5.803 1.00 0.00 C ATOM 325 O GLY A 23 -0.106 -17.435 5.668 1.00 0.00 O ATOM 0 H GLY A 23 3.527 -16.889 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.987 -18.970 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.035 -18.107 7.381 1.00 0.00 H new ATOM 329 N ASP A 24 1.435 -15.802 5.532 1.00 0.00 N ATOM 330 CA ASP A 24 0.492 -14.802 5.046 1.00 0.00 C ATOM 331 C ASP A 24 0.016 -15.142 3.637 1.00 0.00 C ATOM 332 O ASP A 24 0.688 -15.864 2.900 1.00 0.00 O ATOM 333 CB ASP A 24 1.135 -13.414 5.059 1.00 0.00 C ATOM 334 CG ASP A 24 1.041 -12.745 6.415 1.00 0.00 C ATOM 335 OD1 ASP A 24 1.731 -13.201 7.352 1.00 0.00 O ATOM 336 OD2 ASP A 24 0.279 -11.764 6.541 1.00 0.00 O ATOM 0 H ASP A 24 2.391 -15.463 5.641 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.371 -14.800 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.183 -13.500 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.650 -12.785 4.313 1.00 0.00 H new ATOM 341 N THR A 25 -1.150 -14.619 3.269 1.00 0.00 N ATOM 342 CA THR A 25 -1.718 -14.870 1.951 1.00 0.00 C ATOM 343 C THR A 25 -2.304 -13.596 1.353 1.00 0.00 C ATOM 344 O THR A 25 -2.913 -12.790 2.059 1.00 0.00 O ATOM 345 CB THR A 25 -2.815 -15.949 2.007 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.523 -15.864 3.249 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.216 -17.339 1.853 1.00 0.00 C ATOM 0 H THR A 25 -1.719 -14.019 3.866 1.00 0.00 H new ATOM 0 HA THR A 25 -0.904 -15.224 1.319 1.00 0.00 H new ATOM 0 HB THR A 25 -3.506 -15.776 1.182 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.220 -16.552 3.276 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.010 -18.084 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.703 -17.410 0.894 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.505 -17.520 2.659 1.00 0.00 H new ATOM 355 N LEU A 26 -2.118 -13.419 0.050 1.00 0.00 N ATOM 356 CA LEU A 26 -2.629 -12.241 -0.643 1.00 0.00 C ATOM 357 C LEU A 26 -3.995 -11.838 -0.096 1.00 0.00 C ATOM 358 O LEU A 26 -4.184 -10.712 0.361 1.00 0.00 O ATOM 359 CB LEU A 26 -2.728 -12.512 -2.145 1.00 0.00 C ATOM 360 CG LEU A 26 -1.400 -12.667 -2.888 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.559 -13.604 -4.076 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.882 -11.310 -3.342 1.00 0.00 C ATOM 0 H LEU A 26 -1.617 -14.076 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.933 -11.419 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.312 -13.420 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.286 -11.696 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.671 -13.102 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.604 -13.702 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.884 -14.584 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.303 -13.199 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.063 -11.439 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.609 -10.848 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.729 -10.670 -2.473 1.00 0.00 H new ATOM 374 N ALA A 27 -4.944 -12.768 -0.145 1.00 0.00 N ATOM 375 CA ALA A 27 -6.291 -12.511 0.349 1.00 0.00 C ATOM 376 C ALA A 27 -6.255 -11.833 1.714 1.00 0.00 C ATOM 377 O ALA A 27 -7.005 -10.892 1.971 1.00 0.00 O ATOM 378 CB ALA A 27 -7.082 -13.809 0.422 1.00 0.00 C ATOM 0 H ALA A 27 -4.804 -13.706 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.785 -11.836 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.086 -13.603 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.146 -14.253 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.581 -14.503 1.098 1.00 0.00 H new ATOM 384 N GLY A 28 -5.378 -12.319 2.588 1.00 0.00 N ATOM 385 CA GLY A 28 -5.262 -11.748 3.917 1.00 0.00 C ATOM 386 C GLY A 28 -4.923 -10.271 3.886 1.00 0.00 C ATOM 387 O GLY A 28 -5.695 -9.439 4.364 1.00 0.00 O ATOM 0 H GLY A 28 -4.746 -13.097 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.200 -11.891 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.492 -12.283 4.473 1.00 0.00 H new ATOM 391 N LEU A 29 -3.765 -9.943 3.325 1.00 0.00 N ATOM 392 CA LEU A 29 -3.324 -8.555 3.235 1.00 0.00 C ATOM 393 C LEU A 29 -4.374 -7.694 2.539 1.00 0.00 C ATOM 394 O LEU A 29 -4.742 -6.628 3.032 1.00 0.00 O ATOM 395 CB LEU A 29 -1.996 -8.470 2.480 1.00 0.00 C ATOM 396 CG LEU A 29 -0.882 -9.392 2.975 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.246 -9.462 1.956 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.357 -8.919 4.323 1.00 0.00 C ATOM 0 H LEU A 29 -3.114 -10.619 2.925 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.184 -8.177 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.184 -8.692 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.638 -7.442 2.530 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.294 -10.393 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.030 -10.123 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.139 -9.849 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.657 -8.465 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.435 -9.587 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.038 -7.908 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.168 -8.922 5.051 1.00 0.00 H new ATOM 410 N ALA A 30 -4.853 -8.166 1.393 1.00 0.00 N ATOM 411 CA ALA A 30 -5.864 -7.441 0.632 1.00 0.00 C ATOM 412 C ALA A 30 -6.891 -6.798 1.558 1.00 0.00 C ATOM 413 O ALA A 30 -7.087 -5.582 1.535 1.00 0.00 O ATOM 414 CB ALA A 30 -6.551 -8.374 -0.354 1.00 0.00 C ATOM 0 H ALA A 30 -4.558 -9.046 0.971 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.366 -6.646 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.303 -7.820 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.812 -8.783 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.030 -9.188 0.189 1.00 0.00 H new ATOM 420 N LEU A 31 -7.544 -7.620 2.371 1.00 0.00 N ATOM 421 CA LEU A 31 -8.553 -7.131 3.305 1.00 0.00 C ATOM 422 C LEU A 31 -7.901 -6.417 4.485 1.00 0.00 C ATOM 423 O LEU A 31 -8.343 -5.343 4.896 1.00 0.00 O ATOM 424 CB LEU A 31 -9.415 -8.290 3.808 1.00 0.00 C ATOM 425 CG LEU A 31 -9.984 -9.219 2.735 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.211 -10.612 3.301 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.278 -8.652 2.171 1.00 0.00 C ATOM 0 H LEU A 31 -7.393 -8.628 2.403 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.187 -6.418 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.819 -8.887 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.246 -7.877 4.380 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.260 -9.293 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.616 -11.259 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.264 -11.019 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.916 -10.557 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.669 -9.326 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.009 -8.548 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.084 -7.676 1.727 1.00 0.00 H new ATOM 439 N LYS A 32 -6.848 -7.019 5.026 1.00 0.00 N ATOM 440 CA LYS A 32 -6.132 -6.440 6.156 1.00 0.00 C ATOM 441 C LYS A 32 -6.041 -4.923 6.024 1.00 0.00 C ATOM 442 O LYS A 32 -6.143 -4.197 7.013 1.00 0.00 O ATOM 443 CB LYS A 32 -4.727 -7.039 6.258 1.00 0.00 C ATOM 444 CG LYS A 32 -4.052 -6.784 7.595 1.00 0.00 C ATOM 445 CD LYS A 32 -2.539 -6.750 7.458 1.00 0.00 C ATOM 446 CE LYS A 32 -1.875 -6.272 8.740 1.00 0.00 C ATOM 447 NZ LYS A 32 -1.853 -4.785 8.831 1.00 0.00 N ATOM 0 H LYS A 32 -6.471 -7.909 4.700 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.687 -6.675 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.787 -8.114 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.107 -6.626 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.402 -5.837 8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.337 -7.563 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.173 -7.745 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.262 -6.091 6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.407 -6.681 9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.855 -6.654 8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.393 -4.498 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.324 -4.396 8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.827 -4.422 8.813 1.00 0.00 H new ATOM 461 N TYR A 33 -5.849 -4.452 4.797 1.00 0.00 N ATOM 462 CA TYR A 33 -5.744 -3.021 4.536 1.00 0.00 C ATOM 463 C TYR A 33 -7.049 -2.473 3.966 1.00 0.00 C ATOM 464 O TYR A 33 -7.647 -1.555 4.525 1.00 0.00 O ATOM 465 CB TYR A 33 -4.594 -2.742 3.566 1.00 0.00 C ATOM 466 CG TYR A 33 -3.226 -2.965 4.168 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.736 -4.249 4.373 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.422 -1.891 4.533 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.486 -4.457 4.924 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.171 -2.090 5.083 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.708 -3.374 5.277 1.00 0.00 C ATOM 472 OH TYR A 33 0.538 -3.578 5.825 1.00 0.00 O ATOM 0 H TYR A 33 -5.763 -5.040 3.968 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.543 -2.519 5.482 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.705 -3.382 2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.665 -1.711 3.219 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.342 -5.099 4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.782 -0.884 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.120 -5.462 5.077 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.559 -1.244 5.360 1.00 0.00 H new ATOM 0 HH TYR A 33 1.199 -3.034 5.347 1.00 0.00 H new ATOM 482 N GLY A 34 -7.486 -3.046 2.848 1.00 0.00 N ATOM 483 CA GLY A 34 -8.717 -2.604 2.221 1.00 0.00 C ATOM 484 C GLY A 34 -8.599 -2.511 0.713 1.00 0.00 C ATOM 485 O GLY A 34 -9.253 -1.681 0.081 1.00 0.00 O ATOM 0 H GLY A 34 -7.009 -3.808 2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.520 -3.295 2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.995 -1.629 2.621 1.00 0.00 H new ATOM 489 N VAL A 35 -7.760 -3.364 0.133 1.00 0.00 N ATOM 490 CA VAL A 35 -7.557 -3.375 -1.311 1.00 0.00 C ATOM 491 C VAL A 35 -7.678 -4.787 -1.872 1.00 0.00 C ATOM 492 O VAL A 35 -7.794 -5.758 -1.124 1.00 0.00 O ATOM 493 CB VAL A 35 -6.178 -2.800 -1.688 1.00 0.00 C ATOM 494 CG1 VAL A 35 -6.013 -1.397 -1.125 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.068 -3.716 -1.196 1.00 0.00 C ATOM 0 H VAL A 35 -7.210 -4.056 0.641 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.335 -2.747 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.112 -2.739 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.033 -1.007 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.789 -0.748 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.098 -1.429 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.101 -3.295 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.128 -3.811 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.179 -4.700 -1.653 1.00 0.00 H new ATOM 505 N THR A 36 -7.648 -4.896 -3.197 1.00 0.00 N ATOM 506 CA THR A 36 -7.755 -6.189 -3.860 1.00 0.00 C ATOM 507 C THR A 36 -6.377 -6.776 -4.145 1.00 0.00 C ATOM 508 O THR A 36 -5.453 -6.058 -4.525 1.00 0.00 O ATOM 509 CB THR A 36 -8.537 -6.080 -5.183 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.767 -7.385 -5.726 1.00 0.00 O ATOM 511 CG2 THR A 36 -7.777 -5.232 -6.192 1.00 0.00 C ATOM 0 H THR A 36 -7.550 -4.104 -3.832 1.00 0.00 H new ATOM 0 HA THR A 36 -8.295 -6.848 -3.181 1.00 0.00 H new ATOM 0 HB THR A 36 -9.493 -5.600 -4.975 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.266 -7.307 -6.566 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.348 -5.169 -7.118 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.630 -4.230 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.808 -5.688 -6.394 1.00 0.00 H new ATOM 519 N MET A 37 -6.247 -8.086 -3.960 1.00 0.00 N ATOM 520 CA MET A 37 -4.981 -8.769 -4.199 1.00 0.00 C ATOM 521 C MET A 37 -4.427 -8.420 -5.576 1.00 0.00 C ATOM 522 O MET A 37 -3.214 -8.329 -5.762 1.00 0.00 O ATOM 523 CB MET A 37 -5.164 -10.283 -4.079 1.00 0.00 C ATOM 524 CG MET A 37 -5.798 -10.717 -2.767 1.00 0.00 C ATOM 525 SD MET A 37 -6.762 -12.232 -2.929 1.00 0.00 S ATOM 526 CE MET A 37 -5.592 -13.289 -3.780 1.00 0.00 C ATOM 0 H MET A 37 -7.002 -8.695 -3.646 1.00 0.00 H new ATOM 0 HA MET A 37 -4.268 -8.435 -3.445 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.783 -10.632 -4.905 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.193 -10.767 -4.181 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.016 -10.866 -2.022 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.442 -9.919 -2.398 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.026 -13.630 -4.720 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.679 -12.730 -3.984 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.358 -14.150 -3.154 1.00 0.00 H new ATOM 536 N GLU A 38 -5.323 -8.225 -6.538 1.00 0.00 N ATOM 537 CA GLU A 38 -4.921 -7.886 -7.899 1.00 0.00 C ATOM 538 C GLU A 38 -4.159 -6.565 -7.928 1.00 0.00 C ATOM 539 O GLU A 38 -3.152 -6.434 -8.622 1.00 0.00 O ATOM 540 CB GLU A 38 -6.148 -7.801 -8.810 1.00 0.00 C ATOM 541 CG GLU A 38 -5.809 -7.833 -10.291 1.00 0.00 C ATOM 542 CD GLU A 38 -5.574 -9.241 -10.805 1.00 0.00 C ATOM 543 OE1 GLU A 38 -6.108 -10.192 -10.197 1.00 0.00 O ATOM 544 OE2 GLU A 38 -4.855 -9.390 -11.815 1.00 0.00 O ATOM 0 H GLU A 38 -6.331 -8.296 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.261 -8.673 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.818 -8.630 -8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.691 -6.882 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.621 -7.375 -10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.918 -7.232 -10.469 1.00 0.00 H new ATOM 551 N GLN A 39 -4.649 -5.589 -7.170 1.00 0.00 N ATOM 552 CA GLN A 39 -4.015 -4.277 -7.110 1.00 0.00 C ATOM 553 C GLN A 39 -2.587 -4.386 -6.586 1.00 0.00 C ATOM 554 O GLN A 39 -1.641 -3.945 -7.239 1.00 0.00 O ATOM 555 CB GLN A 39 -4.827 -3.335 -6.220 1.00 0.00 C ATOM 556 CG GLN A 39 -6.035 -2.729 -6.917 1.00 0.00 C ATOM 557 CD GLN A 39 -5.705 -1.436 -7.637 1.00 0.00 C ATOM 558 OE1 GLN A 39 -4.562 -1.207 -8.033 1.00 0.00 O ATOM 559 NE2 GLN A 39 -6.708 -0.583 -7.810 1.00 0.00 N ATOM 0 H GLN A 39 -5.482 -5.682 -6.589 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.982 -3.871 -8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.163 -3.881 -5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.179 -2.531 -5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.435 -3.447 -7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.818 -2.542 -6.182 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.640 -0.814 -7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.547 0.304 -8.288 1.00 0.00 H new ATOM 568 N ILE A 40 -2.439 -4.975 -5.404 1.00 0.00 N ATOM 569 CA ILE A 40 -1.127 -5.142 -4.793 1.00 0.00 C ATOM 570 C ILE A 40 -0.161 -5.839 -5.746 1.00 0.00 C ATOM 571 O ILE A 40 1.020 -5.498 -5.810 1.00 0.00 O ATOM 572 CB ILE A 40 -1.213 -5.952 -3.486 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.132 -5.249 -2.485 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.174 -6.149 -2.892 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.552 -6.130 -1.329 1.00 0.00 C ATOM 0 H ILE A 40 -3.212 -5.344 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.755 -4.142 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.633 -6.932 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.623 -4.368 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.023 -4.898 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.096 -6.723 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.801 -6.688 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.620 -5.177 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.202 -5.567 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.089 -6.999 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.668 -6.460 -0.783 1.00 0.00 H new ATOM 587 N LYS A 41 -0.672 -6.816 -6.488 1.00 0.00 N ATOM 588 CA LYS A 41 0.143 -7.559 -7.441 1.00 0.00 C ATOM 589 C LYS A 41 0.404 -6.732 -8.696 1.00 0.00 C ATOM 590 O LYS A 41 1.480 -6.808 -9.288 1.00 0.00 O ATOM 591 CB LYS A 41 -0.547 -8.872 -7.818 1.00 0.00 C ATOM 592 CG LYS A 41 -0.903 -9.737 -6.622 1.00 0.00 C ATOM 593 CD LYS A 41 -2.139 -10.579 -6.890 1.00 0.00 C ATOM 594 CE LYS A 41 -1.828 -11.747 -7.814 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.947 -11.365 -9.249 1.00 0.00 N ATOM 0 H LYS A 41 -1.647 -7.111 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 41 1.100 -7.780 -6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.456 -8.648 -8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.105 -9.437 -8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.063 -10.389 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.075 -9.103 -5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.536 -10.955 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.915 -9.957 -7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.819 -12.108 -7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.509 -12.571 -7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.032 -12.223 -9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.791 -10.772 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.101 -10.833 -9.538 1.00 0.00 H new ATOM 609 N ARG A 42 -0.587 -5.941 -9.094 1.00 0.00 N ATOM 610 CA ARG A 42 -0.464 -5.099 -10.278 1.00 0.00 C ATOM 611 C ARG A 42 0.320 -3.828 -9.962 1.00 0.00 C ATOM 612 O ARG A 42 0.757 -3.117 -10.866 1.00 0.00 O ATOM 613 CB ARG A 42 -1.849 -4.735 -10.818 1.00 0.00 C ATOM 614 CG ARG A 42 -1.810 -3.797 -12.013 1.00 0.00 C ATOM 615 CD ARG A 42 -3.098 -3.865 -12.818 1.00 0.00 C ATOM 616 NE ARG A 42 -3.143 -5.044 -13.679 1.00 0.00 N ATOM 617 CZ ARG A 42 -4.189 -5.365 -14.432 1.00 0.00 C ATOM 618 NH1 ARG A 42 -5.271 -4.599 -14.430 1.00 0.00 N ATOM 619 NH2 ARG A 42 -4.154 -6.454 -15.189 1.00 0.00 N ATOM 0 H ARG A 42 -1.484 -5.866 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 42 0.079 -5.661 -11.038 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.371 -5.649 -11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.430 -4.270 -10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.648 -2.775 -11.670 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.966 -4.056 -12.652 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.950 -3.880 -12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.192 -2.967 -13.428 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.326 -5.654 -13.703 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.302 -3.761 -13.849 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.073 -4.848 -15.009 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.323 -7.046 -15.193 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.958 -6.699 -15.767 1.00 0.00 H new ATOM 633 N ALA A 43 0.493 -3.550 -8.674 1.00 0.00 N ATOM 634 CA ALA A 43 1.225 -2.367 -8.240 1.00 0.00 C ATOM 635 C ALA A 43 2.708 -2.675 -8.060 1.00 0.00 C ATOM 636 O ALA A 43 3.548 -1.777 -8.109 1.00 0.00 O ATOM 637 CB ALA A 43 0.636 -1.828 -6.945 1.00 0.00 C ATOM 0 H ALA A 43 0.136 -4.128 -7.913 1.00 0.00 H new ATOM 0 HA ALA A 43 1.129 -1.606 -9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.192 -0.944 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.409 -1.561 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.702 -2.591 -6.170 1.00 0.00 H new ATOM 643 N ASN A 44 3.023 -3.949 -7.852 1.00 0.00 N ATOM 644 CA ASN A 44 4.405 -4.374 -7.664 1.00 0.00 C ATOM 645 C ASN A 44 4.755 -5.521 -8.609 1.00 0.00 C ATOM 646 O ASN A 44 5.758 -6.209 -8.421 1.00 0.00 O ATOM 647 CB ASN A 44 4.635 -4.805 -6.214 1.00 0.00 C ATOM 648 CG ASN A 44 4.068 -3.811 -5.219 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.096 -2.602 -5.448 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.550 -4.318 -4.106 1.00 0.00 N ATOM 0 H ASN A 44 2.340 -4.705 -7.809 1.00 0.00 H new ATOM 0 HA ASN A 44 5.053 -3.528 -7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.177 -5.780 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.704 -4.922 -6.038 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.154 -3.698 -3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.548 -5.327 -3.958 1.00 0.00 H new ATOM 657 N ARG A 45 3.921 -5.719 -9.624 1.00 0.00 N ATOM 658 CA ARG A 45 4.141 -6.782 -10.597 1.00 0.00 C ATOM 659 C ARG A 45 4.792 -7.995 -9.940 1.00 0.00 C ATOM 660 O ARG A 45 5.844 -8.462 -10.377 1.00 0.00 O ATOM 661 CB ARG A 45 5.019 -6.278 -11.744 1.00 0.00 C ATOM 662 CG ARG A 45 4.255 -5.489 -12.795 1.00 0.00 C ATOM 663 CD ARG A 45 3.944 -4.079 -12.317 1.00 0.00 C ATOM 664 NE ARG A 45 2.922 -3.436 -13.137 1.00 0.00 N ATOM 665 CZ ARG A 45 3.124 -3.046 -14.391 1.00 0.00 C ATOM 666 NH1 ARG A 45 4.305 -3.235 -14.965 1.00 0.00 N ATOM 667 NH2 ARG A 45 2.145 -2.467 -15.074 1.00 0.00 N ATOM 0 H ARG A 45 3.087 -5.157 -9.794 1.00 0.00 H new ATOM 0 HA ARG A 45 3.172 -7.083 -10.994 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.811 -5.650 -11.335 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.502 -7.130 -12.222 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.841 -5.442 -13.713 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.326 -6.006 -13.035 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.608 -4.113 -11.281 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.855 -3.480 -12.337 1.00 0.00 H new ATOM 0 HE ARG A 45 2.003 -3.277 -12.725 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.060 -3.680 -14.444 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.458 -2.935 -15.928 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.235 -2.321 -14.637 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.302 -2.168 -16.037 1.00 0.00 H new ATOM 681 N LEU A 46 4.159 -8.501 -8.887 1.00 0.00 N ATOM 682 CA LEU A 46 4.676 -9.660 -8.168 1.00 0.00 C ATOM 683 C LEU A 46 4.382 -10.949 -8.929 1.00 0.00 C ATOM 684 O LEU A 46 4.581 -12.047 -8.410 1.00 0.00 O ATOM 685 CB LEU A 46 4.064 -9.731 -6.767 1.00 0.00 C ATOM 686 CG LEU A 46 4.761 -8.902 -5.688 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.912 -8.845 -4.427 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.137 -9.475 -5.380 1.00 0.00 C ATOM 0 H LEU A 46 3.287 -8.127 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 46 5.757 -9.550 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.025 -9.409 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.056 -10.773 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 46 4.888 -7.886 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.424 -8.251 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.949 -8.388 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.753 -9.855 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.618 -8.872 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.033 -10.501 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.747 -9.463 -6.284 1.00 0.00 H new ATOM 700 N TYR A 47 3.911 -10.806 -10.163 1.00 0.00 N ATOM 701 CA TYR A 47 3.590 -11.959 -10.996 1.00 0.00 C ATOM 702 C TYR A 47 4.856 -12.713 -11.393 1.00 0.00 C ATOM 703 O TYR A 47 5.617 -12.265 -12.251 1.00 0.00 O ATOM 704 CB TYR A 47 2.834 -11.514 -12.249 1.00 0.00 C ATOM 705 CG TYR A 47 1.734 -10.515 -11.969 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.016 -9.162 -11.833 1.00 0.00 C ATOM 707 CD2 TYR A 47 0.412 -10.925 -11.841 1.00 0.00 C ATOM 708 CE1 TYR A 47 1.014 -8.246 -11.577 1.00 0.00 C ATOM 709 CE2 TYR A 47 -0.596 -10.016 -11.587 1.00 0.00 C ATOM 710 CZ TYR A 47 -0.290 -8.677 -11.454 1.00 0.00 C ATOM 711 OH TYR A 47 -1.291 -7.768 -11.200 1.00 0.00 O ATOM 0 H TYR A 47 3.743 -9.904 -10.608 1.00 0.00 H new ATOM 0 HA TYR A 47 2.956 -12.630 -10.416 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.541 -11.076 -12.953 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.403 -12.390 -12.734 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.036 -8.820 -11.929 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.169 -11.972 -11.942 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.251 -7.197 -11.474 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.618 -10.351 -11.493 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.543 -7.317 -12.033 1.00 0.00 H new ATOM 721 N THR A 48 5.074 -13.863 -10.763 1.00 0.00 N ATOM 722 CA THR A 48 6.246 -14.681 -11.049 1.00 0.00 C ATOM 723 C THR A 48 5.871 -16.153 -11.180 1.00 0.00 C ATOM 724 O THR A 48 4.814 -16.577 -10.714 1.00 0.00 O ATOM 725 CB THR A 48 7.316 -14.532 -9.952 1.00 0.00 C ATOM 726 OG1 THR A 48 6.827 -15.062 -8.715 1.00 0.00 O ATOM 727 CG2 THR A 48 7.701 -13.072 -9.767 1.00 0.00 C ATOM 0 H THR A 48 4.454 -14.249 -10.051 1.00 0.00 H new ATOM 0 HA THR A 48 6.655 -14.327 -11.996 1.00 0.00 H new ATOM 0 HB THR A 48 8.201 -15.089 -10.260 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.763 -16.038 -8.780 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.458 -12.991 -8.987 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.100 -12.680 -10.702 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.821 -12.497 -9.479 1.00 0.00 H new ATOM 735 N ASN A 49 6.743 -16.927 -11.817 1.00 0.00 N ATOM 736 CA ASN A 49 6.503 -18.352 -12.009 1.00 0.00 C ATOM 737 C ASN A 49 6.261 -19.048 -10.673 1.00 0.00 C ATOM 738 O ASN A 49 5.427 -19.948 -10.573 1.00 0.00 O ATOM 739 CB ASN A 49 7.690 -18.999 -12.726 1.00 0.00 C ATOM 740 CG ASN A 49 8.200 -18.154 -13.877 1.00 0.00 C ATOM 741 OD1 ASN A 49 7.561 -18.062 -14.925 1.00 0.00 O ATOM 742 ND2 ASN A 49 9.359 -17.533 -13.687 1.00 0.00 N ATOM 0 H ASN A 49 7.623 -16.591 -12.209 1.00 0.00 H new ATOM 0 HA ASN A 49 5.610 -18.465 -12.624 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.498 -19.161 -12.012 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.394 -19.979 -13.101 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.753 -16.951 -14.426 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.855 -17.638 -12.802 1.00 0.00 H new ATOM 749 N ASP A 50 6.994 -18.624 -9.650 1.00 0.00 N ATOM 750 CA ASP A 50 6.858 -19.204 -8.319 1.00 0.00 C ATOM 751 C ASP A 50 6.065 -18.279 -7.401 1.00 0.00 C ATOM 752 O ASP A 50 5.999 -17.071 -7.628 1.00 0.00 O ATOM 753 CB ASP A 50 8.236 -19.481 -7.717 1.00 0.00 C ATOM 754 CG ASP A 50 8.919 -20.674 -8.358 1.00 0.00 C ATOM 755 OD1 ASP A 50 8.919 -20.759 -9.603 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.452 -21.524 -7.613 1.00 0.00 O ATOM 0 H ASP A 50 7.689 -17.880 -9.717 1.00 0.00 H new ATOM 0 HA ASP A 50 6.315 -20.145 -8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.865 -18.599 -7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.133 -19.657 -6.646 1.00 0.00 H new ATOM 761 N SER A 51 5.463 -18.855 -6.365 1.00 0.00 N ATOM 762 CA SER A 51 4.670 -18.083 -5.416 1.00 0.00 C ATOM 763 C SER A 51 5.358 -16.764 -5.080 1.00 0.00 C ATOM 764 O SER A 51 6.582 -16.650 -5.164 1.00 0.00 O ATOM 765 CB SER A 51 4.439 -18.891 -4.137 1.00 0.00 C ATOM 766 OG SER A 51 3.724 -20.084 -4.410 1.00 0.00 O ATOM 0 H SER A 51 5.510 -19.853 -6.162 1.00 0.00 H new ATOM 0 HA SER A 51 3.707 -17.863 -5.878 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.398 -19.134 -3.679 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.885 -18.288 -3.417 1.00 0.00 H new ATOM 0 HG SER A 51 3.591 -20.583 -3.577 1.00 0.00 H new ATOM 772 N ILE A 52 4.563 -15.769 -4.700 1.00 0.00 N ATOM 773 CA ILE A 52 5.095 -14.458 -4.350 1.00 0.00 C ATOM 774 C ILE A 52 6.015 -14.543 -3.137 1.00 0.00 C ATOM 775 O ILE A 52 6.818 -13.644 -2.888 1.00 0.00 O ATOM 776 CB ILE A 52 3.965 -13.453 -4.054 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.067 -13.978 -2.932 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.151 -13.187 -5.311 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.386 -12.883 -2.141 1.00 0.00 C ATOM 0 H ILE A 52 3.549 -15.846 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 52 5.665 -14.109 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 52 4.410 -12.513 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.307 -14.631 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.665 -14.587 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.357 -12.475 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.800 -12.775 -6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.713 -14.120 -5.665 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.766 -13.328 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.140 -12.243 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.761 -12.288 -2.807 1.00 0.00 H new ATOM 791 N PHE A 53 5.893 -15.632 -2.385 1.00 0.00 N ATOM 792 CA PHE A 53 6.714 -15.836 -1.197 1.00 0.00 C ATOM 793 C PHE A 53 8.193 -15.634 -1.517 1.00 0.00 C ATOM 794 O PHE A 53 9.014 -15.447 -0.618 1.00 0.00 O ATOM 795 CB PHE A 53 6.491 -17.241 -0.632 1.00 0.00 C ATOM 796 CG PHE A 53 5.315 -17.332 0.299 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.411 -16.879 1.604 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.114 -17.872 -0.133 1.00 0.00 C ATOM 799 CE1 PHE A 53 4.331 -16.962 2.463 1.00 0.00 C ATOM 800 CE2 PHE A 53 3.031 -17.957 0.721 1.00 0.00 C ATOM 801 CZ PHE A 53 3.140 -17.502 2.021 1.00 0.00 C ATOM 0 H PHE A 53 5.234 -16.386 -2.577 1.00 0.00 H new ATOM 0 HA PHE A 53 6.417 -15.100 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.345 -17.937 -1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.389 -17.558 -0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.341 -16.456 1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.024 -18.230 -1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.419 -16.605 3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.100 -18.379 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.295 -17.569 2.690 1.00 0.00 H new ATOM 811 N LEU A 54 8.524 -15.673 -2.802 1.00 0.00 N ATOM 812 CA LEU A 54 9.904 -15.494 -3.242 1.00 0.00 C ATOM 813 C LEU A 54 10.546 -14.297 -2.549 1.00 0.00 C ATOM 814 O LEU A 54 11.593 -14.421 -1.914 1.00 0.00 O ATOM 815 CB LEU A 54 9.956 -15.308 -4.760 1.00 0.00 C ATOM 816 CG LEU A 54 9.551 -16.520 -5.599 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.944 -16.075 -6.921 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.749 -17.428 -5.838 1.00 0.00 C ATOM 0 H LEU A 54 7.857 -15.827 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 54 10.464 -16.389 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.307 -14.474 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.971 -15.023 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 54 8.798 -17.084 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.662 -16.951 -7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.060 -15.467 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.675 -15.488 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.442 -18.285 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.525 -16.875 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.139 -17.775 -4.881 1.00 0.00 H new ATOM 830 N LYS A 55 9.910 -13.137 -2.673 1.00 0.00 N ATOM 831 CA LYS A 55 10.416 -11.917 -2.056 1.00 0.00 C ATOM 832 C LYS A 55 10.460 -12.053 -0.538 1.00 0.00 C ATOM 833 O LYS A 55 10.152 -13.111 0.010 1.00 0.00 O ATOM 834 CB LYS A 55 9.541 -10.723 -2.446 1.00 0.00 C ATOM 835 CG LYS A 55 9.380 -10.551 -3.947 1.00 0.00 C ATOM 836 CD LYS A 55 10.549 -9.789 -4.549 1.00 0.00 C ATOM 837 CE LYS A 55 10.403 -9.646 -6.056 1.00 0.00 C ATOM 838 NZ LYS A 55 11.116 -8.443 -6.570 1.00 0.00 N ATOM 0 H LYS A 55 9.042 -13.016 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 55 11.431 -11.750 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.556 -10.842 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.975 -9.814 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.300 -11.530 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.452 -10.019 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.614 -8.801 -4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.480 -10.308 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.795 -10.538 -6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.346 -9.580 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.993 -8.380 -7.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.725 -7.590 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.129 -8.518 -6.346 1.00 0.00 H new ATOM 852 N LYS A 56 10.846 -10.975 0.137 1.00 0.00 N ATOM 853 CA LYS A 56 10.928 -10.973 1.593 1.00 0.00 C ATOM 854 C LYS A 56 9.925 -9.993 2.193 1.00 0.00 C ATOM 855 O LYS A 56 9.223 -10.316 3.152 1.00 0.00 O ATOM 856 CB LYS A 56 12.345 -10.608 2.043 1.00 0.00 C ATOM 857 CG LYS A 56 13.356 -11.721 1.828 1.00 0.00 C ATOM 858 CD LYS A 56 14.538 -11.591 2.775 1.00 0.00 C ATOM 859 CE LYS A 56 15.480 -10.478 2.340 1.00 0.00 C ATOM 860 NZ LYS A 56 16.398 -10.068 3.439 1.00 0.00 N ATOM 0 H LYS A 56 11.107 -10.092 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 56 10.687 -11.975 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.672 -9.721 1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.325 -10.346 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.873 -12.687 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.710 -11.698 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.177 -11.390 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.081 -12.535 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.065 -10.812 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.898 -9.617 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.024 -9.308 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.841 -9.726 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.972 -10.884 3.735 1.00 0.00 H new ATOM 874 N THR A 57 9.861 -8.794 1.622 1.00 0.00 N ATOM 875 CA THR A 57 8.944 -7.768 2.101 1.00 0.00 C ATOM 876 C THR A 57 8.062 -7.249 0.971 1.00 0.00 C ATOM 877 O THR A 57 8.538 -6.997 -0.137 1.00 0.00 O ATOM 878 CB THR A 57 9.703 -6.584 2.729 1.00 0.00 C ATOM 879 OG1 THR A 57 10.984 -6.436 2.105 1.00 0.00 O ATOM 880 CG2 THR A 57 9.884 -6.789 4.225 1.00 0.00 C ATOM 0 H THR A 57 10.434 -8.510 0.827 1.00 0.00 H new ATOM 0 HA THR A 57 8.319 -8.234 2.863 1.00 0.00 H new ATOM 0 HB THR A 57 9.115 -5.680 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.459 -5.680 2.509 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.423 -5.940 4.646 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.907 -6.872 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.452 -7.702 4.401 1.00 0.00 H new ATOM 888 N LEU A 58 6.774 -7.090 1.257 1.00 0.00 N ATOM 889 CA LEU A 58 5.825 -6.600 0.264 1.00 0.00 C ATOM 890 C LEU A 58 5.169 -5.304 0.732 1.00 0.00 C ATOM 891 O LEU A 58 4.690 -5.211 1.862 1.00 0.00 O ATOM 892 CB LEU A 58 4.754 -7.656 -0.011 1.00 0.00 C ATOM 893 CG LEU A 58 5.213 -8.890 -0.789 1.00 0.00 C ATOM 894 CD1 LEU A 58 4.020 -9.615 -1.392 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.205 -8.498 -1.874 1.00 0.00 C ATOM 0 H LEU A 58 6.363 -7.293 2.168 1.00 0.00 H new ATOM 0 HA LEU A 58 6.372 -6.398 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.343 -7.985 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.941 -7.185 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 58 5.712 -9.568 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.366 -10.490 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.345 -9.930 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.492 -8.945 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.521 -9.389 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.732 -7.800 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.074 -8.024 -1.418 1.00 0.00 H new ATOM 907 N TYR A 59 5.148 -4.307 -0.146 1.00 0.00 N ATOM 908 CA TYR A 59 4.551 -3.017 0.176 1.00 0.00 C ATOM 909 C TYR A 59 3.050 -3.029 -0.094 1.00 0.00 C ATOM 910 O TYR A 59 2.581 -3.679 -1.029 1.00 0.00 O ATOM 911 CB TYR A 59 5.218 -1.906 -0.636 1.00 0.00 C ATOM 912 CG TYR A 59 6.658 -2.197 -0.992 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.543 -2.694 -0.043 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.134 -1.976 -2.279 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.859 -2.961 -0.364 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.449 -2.241 -2.610 1.00 0.00 C ATOM 917 CZ TYR A 59 9.308 -2.733 -1.649 1.00 0.00 C ATOM 918 OH TYR A 59 10.618 -2.999 -1.973 1.00 0.00 O ATOM 0 H TYR A 59 5.538 -4.368 -1.087 1.00 0.00 H new ATOM 0 HA TYR A 59 4.709 -2.827 1.238 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.651 -1.747 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.174 -0.976 -0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.195 -2.875 0.963 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.464 -1.590 -3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.533 -3.346 0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.802 -2.064 -3.615 1.00 0.00 H new ATOM 0 HH TYR A 59 10.771 -2.785 -2.917 1.00 0.00 H new ATOM 928 N ILE A 60 2.301 -2.304 0.731 1.00 0.00 N ATOM 929 CA ILE A 60 0.853 -2.229 0.580 1.00 0.00 C ATOM 930 C ILE A 60 0.411 -0.817 0.213 1.00 0.00 C ATOM 931 O ILE A 60 0.669 0.148 0.933 1.00 0.00 O ATOM 932 CB ILE A 60 0.130 -2.663 1.869 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.528 -4.091 2.248 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.377 -2.557 1.692 1.00 0.00 C ATOM 935 CD1 ILE A 60 -0.030 -5.142 1.314 1.00 0.00 C ATOM 0 H ILE A 60 2.673 -1.761 1.510 1.00 0.00 H new ATOM 0 HA ILE A 60 0.584 -2.912 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 60 0.429 -1.996 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.615 -4.166 2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.185 -4.298 3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.874 -2.867 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.645 -1.525 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.693 -3.203 0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.293 -6.130 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.119 -5.095 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.334 -4.960 0.303 1.00 0.00 H new ATOM 947 N PRO A 61 -0.274 -0.690 -0.933 1.00 0.00 N ATOM 948 CA PRO A 61 -0.770 0.600 -1.421 1.00 0.00 C ATOM 949 C PRO A 61 -1.909 1.145 -0.566 1.00 0.00 C ATOM 950 O PRO A 61 -2.971 0.530 -0.466 1.00 0.00 O ATOM 951 CB PRO A 61 -1.267 0.279 -2.832 1.00 0.00 C ATOM 952 CG PRO A 61 -1.598 -1.173 -2.795 1.00 0.00 C ATOM 953 CD PRO A 61 -0.618 -1.797 -1.841 1.00 0.00 C ATOM 0 HA PRO A 61 0.001 1.370 -1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.140 0.878 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.503 0.492 -3.579 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.623 -1.331 -2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.514 -1.618 -3.787 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.060 -2.636 -1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.261 -2.179 -2.360 1.00 0.00 H new ATOM 961 N ILE A 62 -1.681 2.301 0.049 1.00 0.00 N ATOM 962 CA ILE A 62 -2.689 2.928 0.894 1.00 0.00 C ATOM 963 C ILE A 62 -3.526 3.928 0.102 1.00 0.00 C ATOM 964 O ILE A 62 -3.016 4.946 -0.368 1.00 0.00 O ATOM 965 CB ILE A 62 -2.049 3.649 2.094 1.00 0.00 C ATOM 966 CG1 ILE A 62 -1.032 2.735 2.782 1.00 0.00 C ATOM 967 CG2 ILE A 62 -3.120 4.094 3.078 1.00 0.00 C ATOM 968 CD1 ILE A 62 -0.190 3.443 3.820 1.00 0.00 C ATOM 0 H ILE A 62 -0.807 2.822 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.333 2.129 1.262 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.527 4.534 1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.561 1.909 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.376 2.302 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.651 4.602 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.810 4.776 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.668 3.223 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.508 2.735 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.366 4.252 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.837 3.853 4.596 1.00 0.00 H new