USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 HIS :FLIP no HD1:sc= -0.394 F(o=-2,f=-0.97) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -130:sc= -0.572 (180deg=-3.88!) USER MOD Set 1.3: A 33 TYR OH : rot -130:sc= 0 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 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -126:sc= -1.04 (180deg=-2.04) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.349) USER MOD Single : A 44 ASN : amide:sc= 0.0635 X(o=0.064,f=-0.32) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 69:sc= 0.679 USER MOD Single : A 49 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.4) 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 3.421 4.120 0.168 1.00 0.00 N ATOM 182 CA ARG A 15 3.267 2.680 0.337 1.00 0.00 C ATOM 183 C ARG A 15 3.930 2.210 1.628 1.00 0.00 C ATOM 184 O ARG A 15 5.067 2.580 1.925 1.00 0.00 O ATOM 185 CB ARG A 15 3.869 1.937 -0.858 1.00 0.00 C ATOM 186 CG ARG A 15 3.138 0.651 -1.207 1.00 0.00 C ATOM 187 CD ARG A 15 3.225 0.347 -2.694 1.00 0.00 C ATOM 188 NE ARG A 15 4.605 0.340 -3.172 1.00 0.00 N ATOM 189 CZ ARG A 15 4.941 0.468 -4.450 1.00 0.00 C ATOM 190 NH1 ARG A 15 4.002 0.613 -5.375 1.00 0.00 N ATOM 191 NH2 ARG A 15 6.219 0.452 -4.807 1.00 0.00 N ATOM 0 HA ARG A 15 2.201 2.458 0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.862 2.596 -1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.912 1.705 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.564 -0.176 -0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.092 0.734 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.768 -0.622 -2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.653 1.090 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 15 5.352 0.231 -2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.018 0.626 -5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.263 0.711 -6.356 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.945 0.341 -4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.475 0.550 -5.789 1.00 0.00 H new ATOM 205 N LEU A 16 3.213 1.394 2.392 1.00 0.00 N ATOM 206 CA LEU A 16 3.731 0.874 3.653 1.00 0.00 C ATOM 207 C LEU A 16 4.556 -0.388 3.423 1.00 0.00 C ATOM 208 O LEU A 16 4.343 -1.112 2.451 1.00 0.00 O ATOM 209 CB LEU A 16 2.581 0.576 4.616 1.00 0.00 C ATOM 210 CG LEU A 16 2.896 -0.388 5.761 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.974 0.191 6.664 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.638 -0.697 6.559 1.00 0.00 C ATOM 0 H LEU A 16 2.271 1.078 2.161 1.00 0.00 H new ATOM 0 HA LEU A 16 4.377 1.634 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.239 1.518 5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.750 0.167 4.042 1.00 0.00 H new ATOM 0 HG LEU A 16 3.269 -1.319 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.185 -0.508 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.882 0.361 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.629 1.136 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.881 -1.384 7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.235 0.226 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.896 -1.155 5.905 1.00 0.00 H new ATOM 224 N GLU A 17 5.498 -0.647 4.325 1.00 0.00 N ATOM 225 CA GLU A 17 6.354 -1.823 4.220 1.00 0.00 C ATOM 226 C GLU A 17 5.877 -2.928 5.157 1.00 0.00 C ATOM 227 O GLU A 17 5.841 -2.752 6.376 1.00 0.00 O ATOM 228 CB GLU A 17 7.804 -1.456 4.542 1.00 0.00 C ATOM 229 CG GLU A 17 8.815 -2.472 4.038 1.00 0.00 C ATOM 230 CD GLU A 17 10.229 -2.161 4.489 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.475 -2.157 5.713 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.090 -1.922 3.617 1.00 0.00 O ATOM 0 H GLU A 17 5.687 -0.058 5.136 1.00 0.00 H new ATOM 0 HA GLU A 17 6.299 -2.191 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.030 -0.484 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.913 -1.353 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.535 -3.464 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.783 -2.501 2.949 1.00 0.00 H new ATOM 239 N HIS A 18 5.510 -4.068 4.580 1.00 0.00 N ATOM 240 CA HIS A 18 5.034 -5.203 5.363 1.00 0.00 C ATOM 241 C HIS A 18 6.030 -6.357 5.307 1.00 0.00 C ATOM 242 O HIS A 18 6.318 -6.888 4.235 1.00 0.00 O ATOM 243 CB HIS A 18 3.670 -5.666 4.853 1.00 0.00 C ATOM 244 CG HIS A 18 3.091 -6.803 5.638 1.00 0.00 C ATOM 245 ND1 HIS A 18 3.245 -8.141 5.504 1.00 0.00 N flip ATOM 246 CD2 HIS A 18 2.238 -6.622 6.706 1.00 0.00 C flip ATOM 247 CE1 HIS A 18 2.491 -8.738 6.484 1.00 0.00 C flip ATOM 248 NE2 HIS A 18 1.894 -7.800 7.196 1.00 0.00 N flip ATOM 0 H HIS A 18 5.533 -4.230 3.573 1.00 0.00 H new ATOM 0 HA HIS A 18 4.935 -4.881 6.400 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.976 -4.826 4.881 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.764 -5.967 3.810 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.903 -5.667 7.083 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.401 -9.802 6.646 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.273 -7.958 7.989 1.00 0.00 H new ATOM 257 N GLN A 19 6.553 -6.739 6.468 1.00 0.00 N ATOM 258 CA GLN A 19 7.518 -7.829 6.549 1.00 0.00 C ATOM 259 C GLN A 19 6.854 -9.168 6.245 1.00 0.00 C ATOM 260 O GLN A 19 6.517 -9.927 7.155 1.00 0.00 O ATOM 261 CB GLN A 19 8.160 -7.868 7.937 1.00 0.00 C ATOM 262 CG GLN A 19 9.209 -8.958 8.092 1.00 0.00 C ATOM 263 CD GLN A 19 10.197 -8.662 9.202 1.00 0.00 C ATOM 264 OE1 GLN A 19 9.897 -8.848 10.382 1.00 0.00 O ATOM 265 NE2 GLN A 19 11.385 -8.199 8.830 1.00 0.00 N ATOM 0 H GLN A 19 6.325 -6.310 7.365 1.00 0.00 H new ATOM 0 HA GLN A 19 8.293 -7.651 5.803 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.619 -6.901 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.381 -8.016 8.685 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.714 -9.908 8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.748 -9.074 7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.591 -8.060 7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.091 -7.983 9.534 1.00 0.00 H new ATOM 274 N LEU A 20 6.667 -9.452 4.961 1.00 0.00 N ATOM 275 CA LEU A 20 6.042 -10.700 4.536 1.00 0.00 C ATOM 276 C LEU A 20 6.509 -11.865 5.404 1.00 0.00 C ATOM 277 O LEU A 20 7.693 -11.983 5.716 1.00 0.00 O ATOM 278 CB LEU A 20 6.365 -10.981 3.068 1.00 0.00 C ATOM 279 CG LEU A 20 5.331 -11.805 2.299 1.00 0.00 C ATOM 280 CD1 LEU A 20 4.114 -10.956 1.965 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.944 -12.384 1.033 1.00 0.00 C ATOM 0 H LEU A 20 6.939 -8.835 4.196 1.00 0.00 H new ATOM 0 HA LEU A 20 4.963 -10.595 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.494 -10.027 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.322 -11.500 3.020 1.00 0.00 H new ATOM 0 HG LEU A 20 5.009 -12.631 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.389 -11.559 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.661 -10.591 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.419 -10.109 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.194 -12.967 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.295 -11.573 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.783 -13.027 1.297 1.00 0.00 H new ATOM 293 N GLU A 21 5.569 -12.725 5.786 1.00 0.00 N ATOM 294 CA GLU A 21 5.885 -13.881 6.616 1.00 0.00 C ATOM 295 C GLU A 21 5.615 -15.181 5.864 1.00 0.00 C ATOM 296 O GLU A 21 4.859 -15.220 4.893 1.00 0.00 O ATOM 297 CB GLU A 21 5.068 -13.848 7.909 1.00 0.00 C ATOM 298 CG GLU A 21 5.748 -13.095 9.040 1.00 0.00 C ATOM 299 CD GLU A 21 4.827 -12.863 10.223 1.00 0.00 C ATOM 300 OE1 GLU A 21 3.937 -11.993 10.119 1.00 0.00 O ATOM 301 OE2 GLU A 21 4.997 -13.550 11.252 1.00 0.00 O ATOM 0 H GLU A 21 4.584 -12.643 5.534 1.00 0.00 H new ATOM 0 HA GLU A 21 6.946 -13.838 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.101 -13.387 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.872 -14.871 8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.623 -13.655 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.106 -12.135 8.669 1.00 0.00 H new ATOM 308 N PRO A 22 6.247 -16.272 6.322 1.00 0.00 N ATOM 309 CA PRO A 22 6.091 -17.593 5.707 1.00 0.00 C ATOM 310 C PRO A 22 4.703 -18.180 5.939 1.00 0.00 C ATOM 311 O PRO A 22 4.390 -19.268 5.457 1.00 0.00 O ATOM 312 CB PRO A 22 7.155 -18.440 6.411 1.00 0.00 C ATOM 313 CG PRO A 22 7.365 -17.768 7.724 1.00 0.00 C ATOM 314 CD PRO A 22 7.163 -16.299 7.475 1.00 0.00 C ATOM 0 HA PRO A 22 6.206 -17.555 4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.819 -19.469 6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.078 -18.477 5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.660 -18.138 8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.366 -17.965 8.107 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.732 -15.800 8.343 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.104 -15.796 7.253 1.00 0.00 H new ATOM 322 N GLY A 23 3.874 -17.453 6.682 1.00 0.00 N ATOM 323 CA GLY A 23 2.529 -17.918 6.964 1.00 0.00 C ATOM 324 C GLY A 23 1.475 -16.881 6.632 1.00 0.00 C ATOM 325 O GLY A 23 0.466 -16.767 7.328 1.00 0.00 O ATOM 0 H GLY A 23 4.110 -16.550 7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.334 -18.825 6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.453 -18.184 8.018 1.00 0.00 H new ATOM 329 N ASP A 24 1.709 -16.122 5.568 1.00 0.00 N ATOM 330 CA ASP A 24 0.772 -15.087 5.145 1.00 0.00 C ATOM 331 C ASP A 24 0.094 -15.472 3.833 1.00 0.00 C ATOM 332 O ASP A 24 0.521 -16.404 3.150 1.00 0.00 O ATOM 333 CB ASP A 24 1.494 -13.748 4.987 1.00 0.00 C ATOM 334 CG ASP A 24 1.615 -12.997 6.298 1.00 0.00 C ATOM 335 OD1 ASP A 24 1.829 -13.653 7.340 1.00 0.00 O ATOM 336 OD2 ASP A 24 1.496 -11.755 6.283 1.00 0.00 O ATOM 0 H ASP A 24 2.540 -16.203 4.982 1.00 0.00 H new ATOM 0 HA ASP A 24 0.006 -14.988 5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.489 -13.921 4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.956 -13.131 4.267 1.00 0.00 H new ATOM 341 N THR A 25 -0.966 -14.748 3.486 1.00 0.00 N ATOM 342 CA THR A 25 -1.704 -15.014 2.258 1.00 0.00 C ATOM 343 C THR A 25 -2.119 -13.717 1.574 1.00 0.00 C ATOM 344 O THR A 25 -2.379 -12.710 2.234 1.00 0.00 O ATOM 345 CB THR A 25 -2.961 -15.862 2.531 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.629 -15.385 3.704 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.597 -17.328 2.710 1.00 0.00 C ATOM 0 H THR A 25 -1.332 -13.973 4.039 1.00 0.00 H new ATOM 0 HA THR A 25 -1.035 -15.570 1.601 1.00 0.00 H new ATOM 0 HB THR A 25 -3.626 -15.771 1.672 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.428 -15.928 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.501 -17.907 2.902 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.115 -17.697 1.804 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.914 -17.433 3.553 1.00 0.00 H new ATOM 355 N LEU A 26 -2.179 -13.747 0.247 1.00 0.00 N ATOM 356 CA LEU A 26 -2.564 -12.572 -0.528 1.00 0.00 C ATOM 357 C LEU A 26 -3.926 -12.048 -0.084 1.00 0.00 C ATOM 358 O LEU A 26 -4.053 -10.899 0.338 1.00 0.00 O ATOM 359 CB LEU A 26 -2.596 -12.909 -2.020 1.00 0.00 C ATOM 360 CG LEU A 26 -1.245 -12.911 -2.736 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.283 -13.837 -3.942 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.862 -11.500 -3.157 1.00 0.00 C ATOM 0 H LEU A 26 -1.966 -14.571 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.822 -11.793 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.050 -13.893 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.249 -12.193 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.488 -13.279 -2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.313 -13.826 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.512 -14.851 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.051 -13.498 -4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.102 -11.521 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.620 -11.104 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.794 -10.863 -2.275 1.00 0.00 H new ATOM 374 N ALA A 27 -4.942 -12.900 -0.180 1.00 0.00 N ATOM 375 CA ALA A 27 -6.293 -12.525 0.216 1.00 0.00 C ATOM 376 C ALA A 27 -6.303 -11.890 1.602 1.00 0.00 C ATOM 377 O ALA A 27 -7.104 -10.999 1.882 1.00 0.00 O ATOM 378 CB ALA A 27 -7.209 -13.740 0.183 1.00 0.00 C ATOM 0 H ALA A 27 -4.854 -13.855 -0.529 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.662 -11.786 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.215 -13.445 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.235 -14.149 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.834 -14.497 0.871 1.00 0.00 H new ATOM 384 N GLY A 28 -5.408 -12.356 2.468 1.00 0.00 N ATOM 385 CA GLY A 28 -5.331 -11.822 3.816 1.00 0.00 C ATOM 386 C GLY A 28 -4.981 -10.347 3.836 1.00 0.00 C ATOM 387 O GLY A 28 -5.715 -9.535 4.401 1.00 0.00 O ATOM 0 H GLY A 28 -4.735 -13.094 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.287 -11.972 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.583 -12.378 4.381 1.00 0.00 H new ATOM 391 N LEU A 29 -3.857 -9.999 3.220 1.00 0.00 N ATOM 392 CA LEU A 29 -3.410 -8.611 3.170 1.00 0.00 C ATOM 393 C LEU A 29 -4.473 -7.719 2.538 1.00 0.00 C ATOM 394 O LEU A 29 -4.786 -6.647 3.056 1.00 0.00 O ATOM 395 CB LEU A 29 -2.103 -8.504 2.383 1.00 0.00 C ATOM 396 CG LEU A 29 -0.958 -9.398 2.858 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.140 -9.464 1.807 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.402 -8.895 4.182 1.00 0.00 C ATOM 0 H LEU A 29 -3.238 -10.658 2.748 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.240 -8.273 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.311 -8.738 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.766 -7.468 2.416 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.348 -10.404 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.946 -10.105 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.266 -9.872 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.528 -8.462 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.412 -9.544 4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.028 -7.879 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.191 -8.902 4.934 1.00 0.00 H new ATOM 410 N ALA A 30 -5.026 -8.169 1.417 1.00 0.00 N ATOM 411 CA ALA A 30 -6.057 -7.413 0.716 1.00 0.00 C ATOM 412 C ALA A 30 -7.057 -6.810 1.696 1.00 0.00 C ATOM 413 O ALA A 30 -7.230 -5.592 1.752 1.00 0.00 O ATOM 414 CB ALA A 30 -6.772 -8.304 -0.290 1.00 0.00 C ATOM 0 H ALA A 30 -4.777 -9.054 0.974 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.574 -6.595 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.539 -7.727 -0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.053 -8.683 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.237 -9.141 0.231 1.00 0.00 H new ATOM 420 N LEU A 31 -7.714 -7.669 2.468 1.00 0.00 N ATOM 421 CA LEU A 31 -8.698 -7.220 3.447 1.00 0.00 C ATOM 422 C LEU A 31 -8.018 -6.546 4.634 1.00 0.00 C ATOM 423 O LEU A 31 -8.438 -5.479 5.080 1.00 0.00 O ATOM 424 CB LEU A 31 -9.540 -8.402 3.931 1.00 0.00 C ATOM 425 CG LEU A 31 -10.101 -9.317 2.841 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.310 -10.724 3.381 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.404 -8.756 2.292 1.00 0.00 C ATOM 0 H LEU A 31 -7.583 -8.680 2.435 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.349 -6.491 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.931 -9.004 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.374 -8.013 4.516 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.378 -9.366 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.710 -11.361 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.357 -11.127 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.013 -10.694 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.788 -9.420 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.134 -8.677 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.224 -7.769 1.867 1.00 0.00 H new ATOM 439 N LYS A 32 -6.963 -7.176 5.140 1.00 0.00 N ATOM 440 CA LYS A 32 -6.220 -6.636 6.273 1.00 0.00 C ATOM 441 C LYS A 32 -6.077 -5.122 6.158 1.00 0.00 C ATOM 442 O LYS A 32 -6.147 -4.405 7.157 1.00 0.00 O ATOM 443 CB LYS A 32 -4.837 -7.285 6.358 1.00 0.00 C ATOM 444 CG LYS A 32 -4.173 -7.127 7.715 1.00 0.00 C ATOM 445 CD LYS A 32 -2.673 -7.353 7.632 1.00 0.00 C ATOM 446 CE LYS A 32 -2.318 -8.819 7.827 1.00 0.00 C ATOM 447 NZ LYS A 32 -0.929 -9.117 7.382 1.00 0.00 N ATOM 0 H LYS A 32 -6.603 -8.061 4.783 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.777 -6.862 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.929 -8.347 6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.193 -6.849 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.370 -6.128 8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.610 -7.835 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.306 -7.015 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.171 -6.752 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.427 -9.082 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.019 -9.440 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.936 -9.944 6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.544 -8.296 6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.335 -9.320 8.211 1.00 0.00 H new ATOM 461 N TYR A 33 -5.878 -4.642 4.936 1.00 0.00 N ATOM 462 CA TYR A 33 -5.724 -3.213 4.692 1.00 0.00 C ATOM 463 C TYR A 33 -7.004 -2.619 4.112 1.00 0.00 C ATOM 464 O TYR A 33 -7.646 -1.773 4.734 1.00 0.00 O ATOM 465 CB TYR A 33 -4.554 -2.960 3.739 1.00 0.00 C ATOM 466 CG TYR A 33 -3.201 -3.224 4.359 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.749 -4.522 4.563 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.373 -2.174 4.740 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.513 -4.767 5.130 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.135 -2.411 5.306 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.710 -3.708 5.499 1.00 0.00 C ATOM 472 OH TYR A 33 0.522 -3.949 6.063 1.00 0.00 O ATOM 0 H TYR A 33 -5.820 -5.222 4.099 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.519 -2.727 5.646 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.670 -3.592 2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.592 -1.926 3.397 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.374 -5.354 4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.703 -1.156 4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.178 -5.782 5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.503 -1.584 5.596 1.00 0.00 H new ATOM 0 HH TYR A 33 0.615 -3.422 6.884 1.00 0.00 H new ATOM 482 N GLY A 34 -7.369 -3.069 2.915 1.00 0.00 N ATOM 483 CA GLY A 34 -8.571 -2.572 2.271 1.00 0.00 C ATOM 484 C GLY A 34 -8.424 -2.477 0.765 1.00 0.00 C ATOM 485 O GLY A 34 -8.980 -1.577 0.135 1.00 0.00 O ATOM 0 H GLY A 34 -6.854 -3.768 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.407 -3.230 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.814 -1.588 2.672 1.00 0.00 H new ATOM 489 N VAL A 35 -7.672 -3.407 0.186 1.00 0.00 N ATOM 490 CA VAL A 35 -7.453 -3.424 -1.256 1.00 0.00 C ATOM 491 C VAL A 35 -7.537 -4.843 -1.808 1.00 0.00 C ATOM 492 O VAL A 35 -7.475 -5.818 -1.058 1.00 0.00 O ATOM 493 CB VAL A 35 -6.083 -2.823 -1.622 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.979 -1.389 -1.126 1.00 0.00 C ATOM 495 CG2 VAL A 35 -4.958 -3.676 -1.055 1.00 0.00 C ATOM 0 H VAL A 35 -7.204 -4.158 0.693 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.240 -2.816 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.988 -2.814 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.004 -0.981 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.763 -0.787 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.095 -1.369 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.997 -3.236 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.046 -3.720 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.023 -4.684 -1.465 1.00 0.00 H new ATOM 505 N THR A 36 -7.678 -4.952 -3.125 1.00 0.00 N ATOM 506 CA THR A 36 -7.772 -6.252 -3.778 1.00 0.00 C ATOM 507 C THR A 36 -6.388 -6.826 -4.060 1.00 0.00 C ATOM 508 O THR A 36 -5.486 -6.112 -4.497 1.00 0.00 O ATOM 509 CB THR A 36 -8.556 -6.160 -5.101 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.543 -7.428 -5.767 1.00 0.00 O ATOM 511 CG2 THR A 36 -7.959 -5.097 -6.011 1.00 0.00 C ATOM 0 H THR A 36 -7.730 -4.156 -3.761 1.00 0.00 H new ATOM 0 HA THR A 36 -8.304 -6.913 -3.094 1.00 0.00 H new ATOM 0 HB THR A 36 -9.584 -5.882 -4.870 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.045 -7.362 -6.606 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.529 -5.050 -6.939 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.997 -4.128 -5.513 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.922 -5.350 -6.234 1.00 0.00 H new ATOM 519 N MET A 37 -6.228 -8.121 -3.806 1.00 0.00 N ATOM 520 CA MET A 37 -4.953 -8.792 -4.034 1.00 0.00 C ATOM 521 C MET A 37 -4.322 -8.329 -5.343 1.00 0.00 C ATOM 522 O MET A 37 -3.154 -7.942 -5.377 1.00 0.00 O ATOM 523 CB MET A 37 -5.147 -10.309 -4.056 1.00 0.00 C ATOM 524 CG MET A 37 -5.783 -10.859 -2.789 1.00 0.00 C ATOM 525 SD MET A 37 -6.765 -12.340 -3.092 1.00 0.00 S ATOM 526 CE MET A 37 -5.554 -13.393 -3.887 1.00 0.00 C ATOM 0 H MET A 37 -6.964 -8.726 -3.443 1.00 0.00 H new ATOM 0 HA MET A 37 -4.282 -8.531 -3.215 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.770 -10.575 -4.910 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.180 -10.789 -4.205 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.001 -11.088 -2.065 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.417 -10.093 -2.343 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.947 -13.743 -4.842 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.637 -12.829 -4.057 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.340 -14.249 -3.247 1.00 0.00 H new ATOM 536 N GLU A 38 -5.102 -8.372 -6.419 1.00 0.00 N ATOM 537 CA GLU A 38 -4.617 -7.958 -7.730 1.00 0.00 C ATOM 538 C GLU A 38 -3.878 -6.626 -7.642 1.00 0.00 C ATOM 539 O GLU A 38 -2.707 -6.529 -8.006 1.00 0.00 O ATOM 540 CB GLU A 38 -5.782 -7.843 -8.716 1.00 0.00 C ATOM 541 CG GLU A 38 -5.343 -7.742 -10.167 1.00 0.00 C ATOM 542 CD GLU A 38 -4.849 -9.064 -10.721 1.00 0.00 C ATOM 543 OE1 GLU A 38 -5.555 -10.080 -10.551 1.00 0.00 O ATOM 544 OE2 GLU A 38 -3.756 -9.082 -11.325 1.00 0.00 O ATOM 0 H GLU A 38 -6.071 -8.689 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.921 -8.717 -8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.431 -8.711 -8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.376 -6.965 -8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.178 -7.389 -10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.551 -6.998 -10.252 1.00 0.00 H new ATOM 551 N GLN A 39 -4.573 -5.602 -7.155 1.00 0.00 N ATOM 552 CA GLN A 39 -3.983 -4.276 -7.020 1.00 0.00 C ATOM 553 C GLN A 39 -2.565 -4.364 -6.464 1.00 0.00 C ATOM 554 O GLN A 39 -1.606 -3.950 -7.116 1.00 0.00 O ATOM 555 CB GLN A 39 -4.846 -3.401 -6.109 1.00 0.00 C ATOM 556 CG GLN A 39 -6.005 -2.730 -6.830 1.00 0.00 C ATOM 557 CD GLN A 39 -5.620 -1.394 -7.435 1.00 0.00 C ATOM 558 OE1 GLN A 39 -5.554 -0.380 -6.739 1.00 0.00 O ATOM 559 NE2 GLN A 39 -5.364 -1.386 -8.737 1.00 0.00 N ATOM 0 H GLN A 39 -5.544 -5.666 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.938 -3.824 -8.011 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.239 -4.013 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.219 -2.634 -5.655 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.369 -3.390 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.828 -2.584 -6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.431 -2.250 -9.275 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.100 -0.516 -9.200 1.00 0.00 H new ATOM 568 N ILE A 40 -2.441 -4.906 -5.257 1.00 0.00 N ATOM 569 CA ILE A 40 -1.140 -5.049 -4.615 1.00 0.00 C ATOM 570 C ILE A 40 -0.113 -5.634 -5.578 1.00 0.00 C ATOM 571 O ILE A 40 0.960 -5.066 -5.780 1.00 0.00 O ATOM 572 CB ILE A 40 -1.225 -5.945 -3.365 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.169 -5.328 -2.332 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.159 -6.153 -2.769 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.468 -6.243 -1.165 1.00 0.00 C ATOM 0 H ILE A 40 -3.225 -5.253 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.824 -4.050 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.623 -6.916 -3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.729 -4.404 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.105 -5.059 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.083 -6.788 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.804 -6.631 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.582 -5.189 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.143 -5.741 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.937 -7.157 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.540 -6.492 -0.651 1.00 0.00 H new ATOM 587 N LYS A 41 -0.450 -6.774 -6.173 1.00 0.00 N ATOM 588 CA LYS A 41 0.441 -7.437 -7.118 1.00 0.00 C ATOM 589 C LYS A 41 0.808 -6.503 -8.266 1.00 0.00 C ATOM 590 O LYS A 41 1.958 -6.080 -8.391 1.00 0.00 O ATOM 591 CB LYS A 41 -0.218 -8.704 -7.668 1.00 0.00 C ATOM 592 CG LYS A 41 -0.424 -9.786 -6.623 1.00 0.00 C ATOM 593 CD LYS A 41 -1.612 -10.671 -6.962 1.00 0.00 C ATOM 594 CE LYS A 41 -1.213 -11.807 -7.891 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.751 -13.005 -7.136 1.00 0.00 N ATOM 0 H LYS A 41 -1.334 -7.258 -6.017 1.00 0.00 H new ATOM 0 HA LYS A 41 1.354 -7.710 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.183 -8.442 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.397 -9.102 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.476 -10.397 -6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.579 -9.326 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.035 -11.081 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.391 -10.071 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.062 -12.078 -8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.419 -11.469 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.212 -13.628 -7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.144 -12.705 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.574 -13.519 -6.763 1.00 0.00 H new ATOM 609 N ARG A 42 -0.175 -6.183 -9.101 1.00 0.00 N ATOM 610 CA ARG A 42 0.046 -5.298 -10.238 1.00 0.00 C ATOM 611 C ARG A 42 0.875 -4.084 -9.829 1.00 0.00 C ATOM 612 O ARG A 42 1.736 -3.627 -10.580 1.00 0.00 O ATOM 613 CB ARG A 42 -1.292 -4.842 -10.824 1.00 0.00 C ATOM 614 CG ARG A 42 -1.833 -5.769 -11.900 1.00 0.00 C ATOM 615 CD ARG A 42 -3.095 -5.207 -12.536 1.00 0.00 C ATOM 616 NE ARG A 42 -3.874 -6.241 -13.211 1.00 0.00 N ATOM 617 CZ ARG A 42 -4.983 -5.994 -13.900 1.00 0.00 C ATOM 618 NH1 ARG A 42 -5.441 -4.754 -14.003 1.00 0.00 N ATOM 619 NH2 ARG A 42 -5.637 -6.989 -14.487 1.00 0.00 N ATOM 0 H ARG A 42 -1.132 -6.524 -9.011 1.00 0.00 H new ATOM 0 HA ARG A 42 0.597 -5.853 -10.997 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.024 -4.766 -10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.174 -3.843 -11.243 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.074 -5.920 -12.667 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.047 -6.746 -11.466 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.708 -4.734 -11.769 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.825 -4.431 -13.252 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.549 -7.206 -13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.942 -3.987 -13.553 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.293 -4.567 -14.533 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.288 -7.944 -14.409 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.488 -6.798 -15.016 1.00 0.00 H new ATOM 633 N ALA A 43 0.607 -3.566 -8.635 1.00 0.00 N ATOM 634 CA ALA A 43 1.328 -2.406 -8.126 1.00 0.00 C ATOM 635 C ALA A 43 2.814 -2.711 -7.967 1.00 0.00 C ATOM 636 O ALA A 43 3.660 -1.839 -8.162 1.00 0.00 O ATOM 637 CB ALA A 43 0.734 -1.955 -6.800 1.00 0.00 C ATOM 0 H ALA A 43 -0.104 -3.932 -8.002 1.00 0.00 H new ATOM 0 HA ALA A 43 1.225 -1.598 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.282 -1.088 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.313 -1.688 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.807 -2.765 -6.074 1.00 0.00 H new ATOM 643 N ASN A 44 3.124 -3.953 -7.609 1.00 0.00 N ATOM 644 CA ASN A 44 4.508 -4.372 -7.422 1.00 0.00 C ATOM 645 C ASN A 44 4.871 -5.498 -8.385 1.00 0.00 C ATOM 646 O ASN A 44 5.823 -6.243 -8.154 1.00 0.00 O ATOM 647 CB ASN A 44 4.734 -4.827 -5.979 1.00 0.00 C ATOM 648 CG ASN A 44 4.214 -3.823 -4.968 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.324 -2.613 -5.165 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.645 -4.323 -3.877 1.00 0.00 N ATOM 0 H ASN A 44 2.435 -4.687 -7.443 1.00 0.00 H new ATOM 0 HA ASN A 44 5.151 -3.518 -7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.240 -5.786 -5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.800 -4.986 -5.814 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.278 -3.697 -3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.575 -5.333 -3.755 1.00 0.00 H new ATOM 657 N ARG A 45 4.105 -5.615 -9.465 1.00 0.00 N ATOM 658 CA ARG A 45 4.345 -6.650 -10.463 1.00 0.00 C ATOM 659 C ARG A 45 4.889 -7.918 -9.811 1.00 0.00 C ATOM 660 O ARG A 45 5.871 -8.497 -10.277 1.00 0.00 O ATOM 661 CB ARG A 45 5.327 -6.148 -11.524 1.00 0.00 C ATOM 662 CG ARG A 45 4.835 -4.924 -12.278 1.00 0.00 C ATOM 663 CD ARG A 45 5.993 -4.086 -12.796 1.00 0.00 C ATOM 664 NE ARG A 45 6.860 -3.623 -11.715 1.00 0.00 N ATOM 665 CZ ARG A 45 7.903 -2.822 -11.901 1.00 0.00 C ATOM 666 NH1 ARG A 45 8.207 -2.396 -13.119 1.00 0.00 N ATOM 667 NH2 ARG A 45 8.644 -2.444 -10.867 1.00 0.00 N ATOM 0 H ARG A 45 3.313 -5.006 -9.671 1.00 0.00 H new ATOM 0 HA ARG A 45 3.394 -6.886 -10.941 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.277 -5.912 -11.045 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.520 -6.950 -12.237 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.209 -5.237 -13.113 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.211 -4.318 -11.622 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.578 -4.674 -13.503 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.603 -3.227 -13.341 1.00 0.00 H new ATOM 0 HE ARG A 45 6.653 -3.932 -10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.639 -2.683 -13.916 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.009 -1.781 -13.259 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.413 -2.769 -9.928 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.445 -1.829 -11.011 1.00 0.00 H new ATOM 681 N LEU A 46 4.244 -8.344 -8.730 1.00 0.00 N ATOM 682 CA LEU A 46 4.663 -9.544 -8.013 1.00 0.00 C ATOM 683 C LEU A 46 4.384 -10.796 -8.838 1.00 0.00 C ATOM 684 O LEU A 46 4.935 -11.864 -8.569 1.00 0.00 O ATOM 685 CB LEU A 46 3.942 -9.635 -6.667 1.00 0.00 C ATOM 686 CG LEU A 46 4.602 -8.898 -5.501 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.724 -8.967 -4.261 1.00 0.00 C ATOM 688 CD2 LEU A 46 5.979 -9.477 -5.216 1.00 0.00 C ATOM 0 H LEU A 46 3.430 -7.877 -8.331 1.00 0.00 H new ATOM 0 HA LEU A 46 5.737 -9.478 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.932 -9.246 -6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.847 -10.687 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 46 4.721 -7.851 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.210 -8.437 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.760 -8.504 -4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.572 -10.009 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.434 -8.941 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.884 -10.532 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.607 -9.374 -6.101 1.00 0.00 H new ATOM 700 N TYR A 47 3.527 -10.657 -9.844 1.00 0.00 N ATOM 701 CA TYR A 47 3.175 -11.778 -10.708 1.00 0.00 C ATOM 702 C TYR A 47 4.426 -12.442 -11.275 1.00 0.00 C ATOM 703 O TYR A 47 5.077 -11.906 -12.171 1.00 0.00 O ATOM 704 CB TYR A 47 2.274 -11.304 -11.850 1.00 0.00 C ATOM 705 CG TYR A 47 3.002 -10.502 -12.904 1.00 0.00 C ATOM 706 CD1 TYR A 47 3.201 -9.135 -12.750 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.491 -11.110 -14.053 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.865 -8.398 -13.711 1.00 0.00 C ATOM 709 CE2 TYR A 47 4.158 -10.381 -15.019 1.00 0.00 C ATOM 710 CZ TYR A 47 4.343 -9.025 -14.843 1.00 0.00 C ATOM 711 OH TYR A 47 5.005 -8.295 -15.803 1.00 0.00 O ATOM 0 H TYR A 47 3.064 -9.780 -10.081 1.00 0.00 H new ATOM 0 HA TYR A 47 2.636 -12.512 -10.108 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.812 -12.172 -12.321 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.467 -10.698 -11.437 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.830 -8.641 -11.864 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.347 -12.171 -14.194 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.009 -7.336 -13.577 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.532 -10.870 -15.906 1.00 0.00 H new ATOM 0 HH TYR A 47 5.277 -8.887 -16.535 1.00 0.00 H new ATOM 721 N THR A 48 4.756 -13.616 -10.745 1.00 0.00 N ATOM 722 CA THR A 48 5.928 -14.356 -11.196 1.00 0.00 C ATOM 723 C THR A 48 5.603 -15.832 -11.395 1.00 0.00 C ATOM 724 O THR A 48 4.618 -16.338 -10.860 1.00 0.00 O ATOM 725 CB THR A 48 7.092 -14.229 -10.195 1.00 0.00 C ATOM 726 OG1 THR A 48 6.682 -14.697 -8.906 1.00 0.00 O ATOM 727 CG2 THR A 48 7.560 -12.785 -10.091 1.00 0.00 C ATOM 0 H THR A 48 4.228 -14.075 -10.003 1.00 0.00 H new ATOM 0 HA THR A 48 6.229 -13.921 -12.149 1.00 0.00 H new ATOM 0 HB THR A 48 7.921 -14.838 -10.555 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.543 -15.666 -8.939 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.382 -12.719 -9.379 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.898 -12.441 -11.068 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.735 -12.159 -9.751 1.00 0.00 H new ATOM 735 N ASN A 49 6.438 -16.518 -12.169 1.00 0.00 N ATOM 736 CA ASN A 49 6.240 -17.937 -12.439 1.00 0.00 C ATOM 737 C ASN A 49 6.017 -18.711 -11.144 1.00 0.00 C ATOM 738 O ASN A 49 5.188 -19.620 -11.086 1.00 0.00 O ATOM 739 CB ASN A 49 7.446 -18.509 -13.187 1.00 0.00 C ATOM 740 CG ASN A 49 7.238 -19.953 -13.600 1.00 0.00 C ATOM 741 OD1 ASN A 49 6.152 -20.509 -13.432 1.00 0.00 O ATOM 742 ND2 ASN A 49 8.282 -20.569 -14.142 1.00 0.00 N ATOM 0 H ASN A 49 7.258 -16.114 -12.620 1.00 0.00 H new ATOM 0 HA ASN A 49 5.352 -18.042 -13.062 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.640 -17.905 -14.073 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.330 -18.439 -12.553 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.203 -21.542 -14.438 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.163 -20.069 -14.262 1.00 0.00 H new ATOM 749 N ASP A 50 6.761 -18.344 -10.106 1.00 0.00 N ATOM 750 CA ASP A 50 6.644 -19.003 -8.810 1.00 0.00 C ATOM 751 C ASP A 50 5.873 -18.130 -7.825 1.00 0.00 C ATOM 752 O ASP A 50 5.809 -16.911 -7.979 1.00 0.00 O ATOM 753 CB ASP A 50 8.031 -19.323 -8.250 1.00 0.00 C ATOM 754 CG ASP A 50 8.561 -20.655 -8.742 1.00 0.00 C ATOM 755 OD1 ASP A 50 8.904 -20.752 -9.939 1.00 0.00 O ATOM 756 OD2 ASP A 50 8.632 -21.602 -7.930 1.00 0.00 O ATOM 0 H ASP A 50 7.451 -17.594 -10.137 1.00 0.00 H new ATOM 0 HA ASP A 50 6.094 -19.934 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.725 -18.532 -8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.986 -19.333 -7.161 1.00 0.00 H new ATOM 761 N SER A 51 5.289 -18.763 -6.813 1.00 0.00 N ATOM 762 CA SER A 51 4.517 -18.046 -5.805 1.00 0.00 C ATOM 763 C SER A 51 5.180 -16.715 -5.460 1.00 0.00 C ATOM 764 O SER A 51 6.375 -16.527 -5.688 1.00 0.00 O ATOM 765 CB SER A 51 4.369 -18.898 -4.543 1.00 0.00 C ATOM 766 OG SER A 51 3.301 -19.820 -4.674 1.00 0.00 O ATOM 0 H SER A 51 5.336 -19.772 -6.669 1.00 0.00 H new ATOM 0 HA SER A 51 3.528 -17.844 -6.215 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.297 -19.436 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.193 -18.252 -3.683 1.00 0.00 H new ATOM 0 HG SER A 51 3.228 -20.354 -3.856 1.00 0.00 H new ATOM 772 N ILE A 52 4.395 -15.796 -4.908 1.00 0.00 N ATOM 773 CA ILE A 52 4.904 -14.484 -4.530 1.00 0.00 C ATOM 774 C ILE A 52 5.853 -14.585 -3.341 1.00 0.00 C ATOM 775 O ILE A 52 6.711 -13.724 -3.142 1.00 0.00 O ATOM 776 CB ILE A 52 3.760 -13.515 -4.179 1.00 0.00 C ATOM 777 CG1 ILE A 52 2.901 -14.093 -3.051 1.00 0.00 C ATOM 778 CG2 ILE A 52 2.909 -13.232 -5.408 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.199 -13.038 -2.226 1.00 0.00 C ATOM 0 H ILE A 52 3.404 -15.936 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 52 5.445 -14.095 -5.392 1.00 0.00 H new ATOM 0 HB ILE A 52 4.192 -12.575 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.156 -14.763 -3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.532 -14.695 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.105 -12.546 -5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.529 -12.783 -6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.483 -14.165 -5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.609 -13.519 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.939 -12.382 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.542 -12.452 -2.868 1.00 0.00 H new ATOM 791 N PHE A 53 5.695 -15.644 -2.553 1.00 0.00 N ATOM 792 CA PHE A 53 6.538 -15.858 -1.382 1.00 0.00 C ATOM 793 C PHE A 53 8.009 -15.641 -1.725 1.00 0.00 C ATOM 794 O PHE A 53 8.835 -15.400 -0.843 1.00 0.00 O ATOM 795 CB PHE A 53 6.334 -17.272 -0.833 1.00 0.00 C ATOM 796 CG PHE A 53 5.090 -17.419 -0.004 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.027 -16.887 1.274 1.00 0.00 C ATOM 798 CD2 PHE A 53 3.985 -18.090 -0.502 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.884 -17.020 2.039 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.839 -18.226 0.258 1.00 0.00 C ATOM 801 CZ PHE A 53 2.789 -17.692 1.531 1.00 0.00 C ATOM 0 H PHE A 53 4.991 -16.367 -2.704 1.00 0.00 H new ATOM 0 HA PHE A 53 6.250 -15.134 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.291 -17.974 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.198 -17.547 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.881 -16.362 1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.020 -18.512 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.847 -16.599 3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.983 -18.749 -0.143 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.896 -17.800 2.128 1.00 0.00 H new ATOM 811 N LEU A 54 8.330 -15.728 -3.011 1.00 0.00 N ATOM 812 CA LEU A 54 9.702 -15.542 -3.472 1.00 0.00 C ATOM 813 C LEU A 54 10.357 -14.359 -2.766 1.00 0.00 C ATOM 814 O LEU A 54 11.480 -14.462 -2.271 1.00 0.00 O ATOM 815 CB LEU A 54 9.727 -15.325 -4.986 1.00 0.00 C ATOM 816 CG LEU A 54 9.280 -16.511 -5.841 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.725 -16.030 -7.173 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.436 -17.476 -6.060 1.00 0.00 C ATOM 0 H LEU A 54 7.659 -15.926 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 54 10.266 -16.443 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.090 -14.472 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.742 -15.055 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 54 8.488 -17.039 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.412 -16.888 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.869 -15.379 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.496 -15.478 -7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.100 -18.314 -6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.250 -16.959 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.788 -17.847 -5.097 1.00 0.00 H new ATOM 830 N LYS A 55 9.648 -13.236 -2.722 1.00 0.00 N ATOM 831 CA LYS A 55 10.158 -12.034 -2.074 1.00 0.00 C ATOM 832 C LYS A 55 10.173 -12.197 -0.558 1.00 0.00 C ATOM 833 O LYS A 55 9.878 -13.273 -0.036 1.00 0.00 O ATOM 834 CB LYS A 55 9.305 -10.822 -2.458 1.00 0.00 C ATOM 835 CG LYS A 55 9.132 -10.651 -3.958 1.00 0.00 C ATOM 836 CD LYS A 55 10.351 -9.998 -4.589 1.00 0.00 C ATOM 837 CE LYS A 55 10.188 -9.852 -6.094 1.00 0.00 C ATOM 838 NZ LYS A 55 11.245 -8.984 -6.684 1.00 0.00 N ATOM 0 H LYS A 55 8.718 -13.134 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 55 11.181 -11.875 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.322 -10.919 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.763 -9.922 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.960 -11.624 -4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.249 -10.044 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.512 -9.017 -4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.237 -10.595 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.224 -10.836 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.207 -9.431 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.099 -8.909 -7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.195 -8.037 -6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.180 -9.399 -6.496 1.00 0.00 H new ATOM 852 N LYS A 56 10.517 -11.124 0.145 1.00 0.00 N ATOM 853 CA LYS A 56 10.568 -11.147 1.602 1.00 0.00 C ATOM 854 C LYS A 56 9.682 -10.056 2.195 1.00 0.00 C ATOM 855 O LYS A 56 9.081 -10.237 3.255 1.00 0.00 O ATOM 856 CB LYS A 56 12.009 -10.966 2.085 1.00 0.00 C ATOM 857 CG LYS A 56 12.712 -9.770 1.467 1.00 0.00 C ATOM 858 CD LYS A 56 14.205 -10.014 1.323 1.00 0.00 C ATOM 859 CE LYS A 56 14.795 -9.202 0.181 1.00 0.00 C ATOM 860 NZ LYS A 56 14.682 -9.914 -1.122 1.00 0.00 N ATOM 0 H LYS A 56 10.765 -10.226 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 56 10.197 -12.115 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.009 -10.856 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.576 -11.868 1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.281 -9.559 0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.544 -8.889 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.709 -9.754 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.386 -11.075 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.283 -8.242 0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.844 -8.991 0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.095 -9.328 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.192 -10.819 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.680 -10.093 -1.334 1.00 0.00 H new ATOM 874 N THR A 57 9.602 -8.923 1.503 1.00 0.00 N ATOM 875 CA THR A 57 8.788 -7.804 1.961 1.00 0.00 C ATOM 876 C THR A 57 7.847 -7.324 0.863 1.00 0.00 C ATOM 877 O THR A 57 8.267 -7.091 -0.271 1.00 0.00 O ATOM 878 CB THR A 57 9.664 -6.624 2.423 1.00 0.00 C ATOM 879 OG1 THR A 57 10.925 -6.655 1.744 1.00 0.00 O ATOM 880 CG2 THR A 57 9.891 -6.675 3.926 1.00 0.00 C ATOM 0 H THR A 57 10.091 -8.757 0.624 1.00 0.00 H new ATOM 0 HA THR A 57 8.202 -8.164 2.806 1.00 0.00 H new ATOM 0 HB THR A 57 9.144 -5.697 2.181 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.475 -5.901 2.042 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.512 -5.832 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.932 -6.622 4.441 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.392 -7.607 4.187 1.00 0.00 H new ATOM 888 N LEU A 58 6.572 -7.176 1.206 1.00 0.00 N ATOM 889 CA LEU A 58 5.569 -6.722 0.249 1.00 0.00 C ATOM 890 C LEU A 58 4.922 -5.421 0.714 1.00 0.00 C ATOM 891 O LEU A 58 4.345 -5.357 1.800 1.00 0.00 O ATOM 892 CB LEU A 58 4.499 -7.796 0.052 1.00 0.00 C ATOM 893 CG LEU A 58 4.938 -9.051 -0.703 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.743 -9.725 -1.360 1.00 0.00 C ATOM 895 CD2 LEU A 58 5.995 -8.705 -1.743 1.00 0.00 C ATOM 0 H LEU A 58 6.208 -7.364 2.140 1.00 0.00 H new ATOM 0 HA LEU A 58 6.068 -6.538 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.130 -8.097 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.660 -7.350 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 58 5.374 -9.748 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.075 -10.616 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.019 -10.008 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.277 -9.035 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.296 -9.610 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.584 -7.989 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.863 -8.268 -1.249 1.00 0.00 H new ATOM 907 N TYR A 59 5.018 -4.388 -0.115 1.00 0.00 N ATOM 908 CA TYR A 59 4.442 -3.090 0.211 1.00 0.00 C ATOM 909 C TYR A 59 2.950 -3.060 -0.106 1.00 0.00 C ATOM 910 O TYR A 59 2.490 -3.719 -1.039 1.00 0.00 O ATOM 911 CB TYR A 59 5.161 -1.981 -0.560 1.00 0.00 C ATOM 912 CG TYR A 59 6.586 -2.325 -0.927 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.386 -3.068 -0.068 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.133 -1.908 -2.135 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.690 -3.384 -0.400 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.435 -2.221 -2.476 1.00 0.00 C ATOM 917 CZ TYR A 59 9.209 -2.959 -1.604 1.00 0.00 C ATOM 918 OH TYR A 59 10.506 -3.273 -1.939 1.00 0.00 O ATOM 0 H TYR A 59 5.490 -4.425 -1.019 1.00 0.00 H new ATOM 0 HA TYR A 59 4.571 -2.923 1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.603 -1.762 -1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.159 -1.072 0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.982 -3.404 0.875 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.530 -1.329 -2.819 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.299 -3.961 0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.844 -1.890 -3.419 1.00 0.00 H new ATOM 0 HH TYR A 59 10.716 -2.899 -2.820 1.00 0.00 H new ATOM 928 N ILE A 60 2.201 -2.291 0.676 1.00 0.00 N ATOM 929 CA ILE A 60 0.761 -2.174 0.478 1.00 0.00 C ATOM 930 C ILE A 60 0.382 -0.769 0.022 1.00 0.00 C ATOM 931 O ILE A 60 0.692 0.228 0.674 1.00 0.00 O ATOM 932 CB ILE A 60 -0.013 -2.509 1.767 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.317 -3.929 2.231 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.510 -2.354 1.540 1.00 0.00 C ATOM 935 CD1 ILE A 60 -0.154 -5.002 1.275 1.00 0.00 C ATOM 0 H ILE A 60 2.567 -1.740 1.452 1.00 0.00 H new ATOM 0 HA ILE A 60 0.489 -2.891 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 60 0.291 -1.812 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.395 -4.018 2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.138 -4.098 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.044 -2.594 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.730 -1.326 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.830 -3.031 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.114 -5.983 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.236 -4.940 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.320 -4.858 0.304 1.00 0.00 H new ATOM 947 N PRO A 61 -0.307 -0.686 -1.126 1.00 0.00 N ATOM 948 CA PRO A 61 -0.747 0.591 -1.695 1.00 0.00 C ATOM 949 C PRO A 61 -1.851 1.244 -0.871 1.00 0.00 C ATOM 950 O PRO A 61 -2.921 0.665 -0.680 1.00 0.00 O ATOM 951 CB PRO A 61 -1.272 0.201 -3.079 1.00 0.00 C ATOM 952 CG PRO A 61 -1.670 -1.228 -2.944 1.00 0.00 C ATOM 953 CD PRO A 61 -0.711 -1.833 -1.957 1.00 0.00 C ATOM 0 HA PRO A 61 0.059 1.324 -1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.119 0.822 -3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.505 0.328 -3.843 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.698 -1.315 -2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.617 -1.740 -3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.186 -2.613 -1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.144 -2.289 -2.456 1.00 0.00 H new ATOM 961 N ILE A 62 -1.585 2.452 -0.385 1.00 0.00 N ATOM 962 CA ILE A 62 -2.558 3.183 0.417 1.00 0.00 C ATOM 963 C ILE A 62 -3.365 4.149 -0.443 1.00 0.00 C ATOM 964 O ILE A 62 -2.830 5.129 -0.963 1.00 0.00 O ATOM 965 CB ILE A 62 -1.874 3.970 1.551 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.950 3.052 2.354 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.917 4.605 2.458 1.00 0.00 C ATOM 968 CD1 ILE A 62 -0.086 3.789 3.353 1.00 0.00 C ATOM 0 H ILE A 62 -0.704 2.945 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.229 2.442 0.853 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.272 4.764 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.554 2.314 2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.308 2.504 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.419 5.158 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.538 5.287 1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.543 3.826 2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.543 3.076 3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.544 4.508 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.721 4.315 4.065 1.00 0.00 H new