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= -0.666 K(o=-1.4,f=-0.61) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -164:sc= -0.504 (180deg=0) USER MOD Set 1.3: A 33 TYR OH : rot 180:sc= -0.261 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.15) 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 -150:sc= -0.523 (180deg=-2.14!) USER MOD Single : A 39 GLN : amide:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0278 K(o=-0.028,f=-0.66) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 80:sc= 1.05 USER MOD Single : A 49 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.3!) 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 2.950 3.681 0.131 1.00 0.00 N ATOM 182 CA ARG A 15 3.238 2.261 0.296 1.00 0.00 C ATOM 183 C ARG A 15 3.787 1.976 1.691 1.00 0.00 C ATOM 184 O ARG A 15 4.648 2.702 2.191 1.00 0.00 O ATOM 185 CB ARG A 15 4.239 1.796 -0.763 1.00 0.00 C ATOM 186 CG ARG A 15 3.585 1.278 -2.034 1.00 0.00 C ATOM 187 CD ARG A 15 4.461 1.525 -3.252 1.00 0.00 C ATOM 188 NE ARG A 15 4.364 2.904 -3.725 1.00 0.00 N ATOM 189 CZ ARG A 15 3.351 3.362 -4.451 1.00 0.00 C ATOM 190 NH1 ARG A 15 2.353 2.557 -4.785 1.00 0.00 N ATOM 191 NH2 ARG A 15 3.335 4.630 -4.843 1.00 0.00 N ATOM 0 HA ARG A 15 2.306 1.710 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.899 2.626 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.864 1.010 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.390 0.210 -1.935 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.620 1.766 -2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.498 1.299 -3.005 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.169 0.846 -4.053 1.00 0.00 H new ATOM 0 HE ARG A 15 5.116 3.550 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.361 1.582 -4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.576 2.912 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.101 5.253 -4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.557 4.982 -5.401 1.00 0.00 H new ATOM 205 N LEU A 16 3.284 0.917 2.314 1.00 0.00 N ATOM 206 CA LEU A 16 3.724 0.536 3.652 1.00 0.00 C ATOM 207 C LEU A 16 4.524 -0.762 3.613 1.00 0.00 C ATOM 208 O LEU A 16 4.095 -1.749 3.016 1.00 0.00 O ATOM 209 CB LEU A 16 2.519 0.377 4.580 1.00 0.00 C ATOM 210 CG LEU A 16 2.724 -0.524 5.798 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.851 0.007 6.671 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.435 -0.639 6.600 1.00 0.00 C ATOM 0 H LEU A 16 2.571 0.306 1.915 1.00 0.00 H new ATOM 0 HA LEU A 16 4.368 1.327 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.223 1.366 4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.687 -0.017 3.997 1.00 0.00 H new ATOM 0 HG LEU A 16 3.000 -1.518 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.982 -0.647 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.775 0.037 6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.604 1.012 7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.600 -1.284 7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.128 0.350 6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.653 -1.066 5.972 1.00 0.00 H new ATOM 224 N GLU A 17 5.688 -0.753 4.255 1.00 0.00 N ATOM 225 CA GLU A 17 6.548 -1.931 4.294 1.00 0.00 C ATOM 226 C GLU A 17 5.977 -2.989 5.233 1.00 0.00 C ATOM 227 O GLU A 17 5.977 -2.818 6.453 1.00 0.00 O ATOM 228 CB GLU A 17 7.959 -1.545 4.740 1.00 0.00 C ATOM 229 CG GLU A 17 9.037 -2.490 4.236 1.00 0.00 C ATOM 230 CD GLU A 17 10.424 -2.099 4.708 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.822 -2.538 5.807 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.110 -1.354 3.978 1.00 0.00 O ATOM 0 H GLU A 17 6.057 0.056 4.755 1.00 0.00 H new ATOM 0 HA GLU A 17 6.595 -2.349 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.179 -0.537 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.992 -1.518 5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.814 -3.502 4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.020 -2.507 3.146 1.00 0.00 H new ATOM 239 N HIS A 18 5.490 -4.084 4.656 1.00 0.00 N ATOM 240 CA HIS A 18 4.916 -5.171 5.441 1.00 0.00 C ATOM 241 C HIS A 18 5.869 -6.361 5.499 1.00 0.00 C ATOM 242 O HIS A 18 6.176 -6.972 4.476 1.00 0.00 O ATOM 243 CB HIS A 18 3.576 -5.605 4.847 1.00 0.00 C ATOM 244 CG HIS A 18 2.906 -6.701 5.617 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.025 -6.465 6.651 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.991 -8.046 5.497 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.599 -7.617 7.135 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.170 -8.593 6.452 1.00 0.00 N ATOM 0 H HIS A 18 5.482 -4.241 3.648 1.00 0.00 H new ATOM 0 HA HIS A 18 4.754 -4.807 6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.911 -4.743 4.805 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.733 -5.937 3.821 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.593 -8.588 4.783 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.902 -7.741 7.951 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.025 -9.590 6.609 1.00 0.00 H new ATOM 257 N GLN A 19 6.334 -6.683 6.702 1.00 0.00 N ATOM 258 CA GLN A 19 7.253 -7.798 6.892 1.00 0.00 C ATOM 259 C GLN A 19 6.580 -9.123 6.548 1.00 0.00 C ATOM 260 O GLN A 19 6.031 -9.797 7.421 1.00 0.00 O ATOM 261 CB GLN A 19 7.759 -7.829 8.335 1.00 0.00 C ATOM 262 CG GLN A 19 9.054 -7.060 8.542 1.00 0.00 C ATOM 263 CD GLN A 19 9.792 -7.486 9.796 1.00 0.00 C ATOM 264 OE1 GLN A 19 9.177 -7.831 10.806 1.00 0.00 O ATOM 265 NE2 GLN A 19 11.118 -7.464 9.739 1.00 0.00 N ATOM 0 H GLN A 19 6.089 -6.187 7.559 1.00 0.00 H new ATOM 0 HA GLN A 19 8.100 -7.657 6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.992 -7.415 8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.910 -8.866 8.636 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.701 -7.206 7.677 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.834 -5.994 8.599 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.587 -7.171 8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.668 -7.740 10.552 1.00 0.00 H new ATOM 274 N LEU A 20 6.625 -9.490 5.273 1.00 0.00 N ATOM 275 CA LEU A 20 6.019 -10.735 4.813 1.00 0.00 C ATOM 276 C LEU A 20 6.565 -11.927 5.592 1.00 0.00 C ATOM 277 O LEU A 20 7.778 -12.107 5.700 1.00 0.00 O ATOM 278 CB LEU A 20 6.276 -10.928 3.317 1.00 0.00 C ATOM 279 CG LEU A 20 5.210 -11.711 2.549 1.00 0.00 C ATOM 280 CD1 LEU A 20 4.106 -10.781 2.071 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.834 -12.449 1.374 1.00 0.00 C ATOM 0 H LEU A 20 7.075 -8.944 4.539 1.00 0.00 H new ATOM 0 HA LEU A 20 4.945 -10.673 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.379 -9.945 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.231 -11.439 3.196 1.00 0.00 H new ATOM 0 HG LEU A 20 4.771 -12.447 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.357 -11.356 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.640 -10.298 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.529 -10.022 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.061 -13.001 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.300 -11.731 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.589 -13.145 1.741 1.00 0.00 H new ATOM 293 N GLU A 21 5.662 -12.740 6.131 1.00 0.00 N ATOM 294 CA GLU A 21 6.054 -13.915 6.899 1.00 0.00 C ATOM 295 C GLU A 21 5.556 -15.193 6.230 1.00 0.00 C ATOM 296 O GLU A 21 4.627 -15.180 5.423 1.00 0.00 O ATOM 297 CB GLU A 21 5.506 -13.827 8.325 1.00 0.00 C ATOM 298 CG GLU A 21 6.384 -13.019 9.266 1.00 0.00 C ATOM 299 CD GLU A 21 7.513 -13.840 9.859 1.00 0.00 C ATOM 300 OE1 GLU A 21 8.599 -13.888 9.246 1.00 0.00 O ATOM 301 OE2 GLU A 21 7.308 -14.434 10.939 1.00 0.00 O ATOM 0 H GLU A 21 4.654 -12.606 6.050 1.00 0.00 H new ATOM 0 HA GLU A 21 7.143 -13.945 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.512 -13.381 8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.392 -14.835 8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.802 -12.169 8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.771 -12.615 10.072 1.00 0.00 H new ATOM 308 N PRO A 22 6.191 -16.325 6.571 1.00 0.00 N ATOM 309 CA PRO A 22 5.830 -17.633 6.015 1.00 0.00 C ATOM 310 C PRO A 22 4.477 -18.124 6.518 1.00 0.00 C ATOM 311 O PRO A 22 4.368 -18.644 7.628 1.00 0.00 O ATOM 312 CB PRO A 22 6.950 -18.550 6.512 1.00 0.00 C ATOM 313 CG PRO A 22 7.455 -17.894 7.751 1.00 0.00 C ATOM 314 CD PRO A 22 7.308 -16.415 7.526 1.00 0.00 C ATOM 0 HA PRO A 22 5.735 -17.602 4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.578 -19.553 6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.739 -18.650 5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.884 -18.215 8.623 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.496 -18.159 7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.087 -15.887 8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.220 -15.978 7.120 1.00 0.00 H new ATOM 322 N GLY A 23 3.447 -17.955 5.694 1.00 0.00 N ATOM 323 CA GLY A 23 2.115 -18.386 6.074 1.00 0.00 C ATOM 324 C GLY A 23 1.045 -17.397 5.658 1.00 0.00 C ATOM 325 O GLY A 23 -0.139 -17.733 5.615 1.00 0.00 O ATOM 0 H GLY A 23 3.512 -17.527 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.906 -19.355 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.076 -18.526 7.154 1.00 0.00 H new ATOM 329 N ASP A 24 1.460 -16.172 5.353 1.00 0.00 N ATOM 330 CA ASP A 24 0.528 -15.130 4.940 1.00 0.00 C ATOM 331 C ASP A 24 -0.004 -15.402 3.537 1.00 0.00 C ATOM 332 O ASP A 24 0.563 -16.200 2.789 1.00 0.00 O ATOM 333 CB ASP A 24 1.208 -13.761 4.984 1.00 0.00 C ATOM 334 CG ASP A 24 1.091 -13.099 6.344 1.00 0.00 C ATOM 335 OD1 ASP A 24 1.983 -13.319 7.190 1.00 0.00 O ATOM 336 OD2 ASP A 24 0.107 -12.362 6.561 1.00 0.00 O ATOM 0 H ASP A 24 2.436 -15.877 5.384 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.312 -15.132 5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.261 -13.873 4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.763 -13.113 4.228 1.00 0.00 H new ATOM 341 N THR A 25 -1.098 -14.734 3.184 1.00 0.00 N ATOM 342 CA THR A 25 -1.709 -14.905 1.872 1.00 0.00 C ATOM 343 C THR A 25 -2.186 -13.571 1.309 1.00 0.00 C ATOM 344 O THR A 25 -2.625 -12.693 2.053 1.00 0.00 O ATOM 345 CB THR A 25 -2.900 -15.880 1.929 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.687 -15.624 3.097 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.418 -17.323 1.942 1.00 0.00 C ATOM 0 H THR A 25 -1.579 -14.069 3.789 1.00 0.00 H new ATOM 0 HA THR A 25 -0.941 -15.319 1.218 1.00 0.00 H new ATOM 0 HB THR A 25 -3.510 -15.726 1.039 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.443 -16.247 3.125 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.277 -17.993 1.982 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.844 -17.523 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.787 -17.488 2.816 1.00 0.00 H new ATOM 355 N LEU A 26 -2.097 -13.424 -0.009 1.00 0.00 N ATOM 356 CA LEU A 26 -2.520 -12.196 -0.672 1.00 0.00 C ATOM 357 C LEU A 26 -3.887 -11.747 -0.165 1.00 0.00 C ATOM 358 O LEU A 26 -4.028 -10.652 0.380 1.00 0.00 O ATOM 359 CB LEU A 26 -2.568 -12.402 -2.187 1.00 0.00 C ATOM 360 CG LEU A 26 -1.216 -12.518 -2.892 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.334 -13.393 -4.130 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.686 -11.140 -3.259 1.00 0.00 C ATOM 0 H LEU A 26 -1.736 -14.140 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.793 -11.418 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.141 -13.306 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.116 -11.570 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.509 -12.986 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.362 -13.464 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.669 -14.389 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.055 -12.953 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.277 -11.242 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.391 -10.645 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.563 -10.545 -2.354 1.00 0.00 H new ATOM 374 N ALA A 27 -4.889 -12.600 -0.346 1.00 0.00 N ATOM 375 CA ALA A 27 -6.244 -12.292 0.097 1.00 0.00 C ATOM 376 C ALA A 27 -6.241 -11.705 1.504 1.00 0.00 C ATOM 377 O ALA A 27 -7.027 -10.811 1.816 1.00 0.00 O ATOM 378 CB ALA A 27 -7.112 -13.540 0.046 1.00 0.00 C ATOM 0 H ALA A 27 -4.789 -13.510 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.660 -11.545 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.121 -13.296 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.149 -13.916 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.689 -14.304 0.699 1.00 0.00 H new ATOM 384 N GLY A 28 -5.351 -12.214 2.351 1.00 0.00 N ATOM 385 CA GLY A 28 -5.264 -11.728 3.716 1.00 0.00 C ATOM 386 C GLY A 28 -4.902 -10.258 3.786 1.00 0.00 C ATOM 387 O GLY A 28 -5.670 -9.445 4.304 1.00 0.00 O ATOM 0 H GLY A 28 -4.689 -12.954 2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.219 -11.888 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.518 -12.309 4.258 1.00 0.00 H new ATOM 391 N LEU A 29 -3.730 -9.913 3.264 1.00 0.00 N ATOM 392 CA LEU A 29 -3.266 -8.530 3.271 1.00 0.00 C ATOM 393 C LEU A 29 -4.250 -7.622 2.540 1.00 0.00 C ATOM 394 O LEU A 29 -4.502 -6.494 2.963 1.00 0.00 O ATOM 395 CB LEU A 29 -1.885 -8.431 2.622 1.00 0.00 C ATOM 396 CG LEU A 29 -0.832 -9.418 3.130 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.364 -9.452 2.192 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.396 -9.052 4.541 1.00 0.00 C ATOM 0 H LEU A 29 -3.084 -10.572 2.830 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.198 -8.201 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.000 -8.574 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.507 -7.419 2.771 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.276 -10.413 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.102 -10.159 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.039 -9.762 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.809 -8.459 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.353 -9.764 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.030 -8.049 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.258 -9.080 5.207 1.00 0.00 H new ATOM 410 N ALA A 30 -4.805 -8.124 1.441 1.00 0.00 N ATOM 411 CA ALA A 30 -5.765 -7.360 0.654 1.00 0.00 C ATOM 412 C ALA A 30 -6.834 -6.737 1.545 1.00 0.00 C ATOM 413 O ALA A 30 -6.996 -5.516 1.576 1.00 0.00 O ATOM 414 CB ALA A 30 -6.407 -8.248 -0.402 1.00 0.00 C ATOM 0 H ALA A 30 -4.606 -9.056 1.076 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.228 -6.552 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.122 -7.665 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.636 -8.641 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.924 -9.076 0.084 1.00 0.00 H new ATOM 420 N LEU A 31 -7.561 -7.581 2.267 1.00 0.00 N ATOM 421 CA LEU A 31 -8.616 -7.113 3.159 1.00 0.00 C ATOM 422 C LEU A 31 -8.026 -6.457 4.403 1.00 0.00 C ATOM 423 O LEU A 31 -8.444 -5.370 4.803 1.00 0.00 O ATOM 424 CB LEU A 31 -9.523 -8.277 3.563 1.00 0.00 C ATOM 425 CG LEU A 31 -10.018 -9.169 2.425 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.262 -10.585 2.923 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.285 -8.593 1.808 1.00 0.00 C ATOM 0 H LEU A 31 -7.440 -8.594 2.253 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.207 -6.369 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.985 -8.899 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.391 -7.871 4.083 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.247 -9.205 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.614 -11.205 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.333 -10.998 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.014 -10.569 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.623 -9.241 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.063 -8.526 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.078 -7.598 1.413 1.00 0.00 H new ATOM 439 N LYS A 32 -7.051 -7.124 5.011 1.00 0.00 N ATOM 440 CA LYS A 32 -6.399 -6.605 6.208 1.00 0.00 C ATOM 441 C LYS A 32 -6.295 -5.084 6.155 1.00 0.00 C ATOM 442 O LYS A 32 -6.373 -4.411 7.183 1.00 0.00 O ATOM 443 CB LYS A 32 -5.005 -7.218 6.361 1.00 0.00 C ATOM 444 CG LYS A 32 -4.395 -7.005 7.735 1.00 0.00 C ATOM 445 CD LYS A 32 -2.877 -7.064 7.687 1.00 0.00 C ATOM 446 CE LYS A 32 -2.252 -6.231 8.795 1.00 0.00 C ATOM 447 NZ LYS A 32 -0.803 -6.533 8.966 1.00 0.00 N ATOM 0 H LYS A 32 -6.695 -8.026 4.694 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.006 -6.880 7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.064 -8.288 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.344 -6.788 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.710 -6.038 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.768 -7.765 8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.549 -8.099 7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.528 -6.704 6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.378 -5.172 8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.776 -6.421 9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.477 -6.163 9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.657 -7.562 8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.262 -6.085 8.199 1.00 0.00 H new ATOM 461 N TYR A 33 -6.119 -4.550 4.952 1.00 0.00 N ATOM 462 CA TYR A 33 -6.002 -3.108 4.765 1.00 0.00 C ATOM 463 C TYR A 33 -7.283 -2.531 4.169 1.00 0.00 C ATOM 464 O TYR A 33 -8.024 -1.814 4.838 1.00 0.00 O ATOM 465 CB TYR A 33 -4.813 -2.784 3.860 1.00 0.00 C ATOM 466 CG TYR A 33 -3.472 -2.948 4.539 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.893 -1.897 5.239 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.784 -4.154 4.480 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.668 -2.042 5.860 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.559 -4.309 5.100 1.00 0.00 C ATOM 471 CZ TYR A 33 -1.005 -3.250 5.788 1.00 0.00 C ATOM 472 OH TYR A 33 0.215 -3.399 6.406 1.00 0.00 O ATOM 0 H TYR A 33 -6.054 -5.093 4.091 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.840 -2.652 5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.848 -3.430 2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.907 -1.758 3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.410 -0.950 5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.214 -4.985 3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.231 -1.214 6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.039 -5.254 5.046 1.00 0.00 H new ATOM 0 HH TYR A 33 0.546 -4.310 6.260 1.00 0.00 H new ATOM 482 N GLY A 34 -7.535 -2.851 2.903 1.00 0.00 N ATOM 483 CA GLY A 34 -8.725 -2.358 2.236 1.00 0.00 C ATOM 484 C GLY A 34 -8.574 -2.325 0.729 1.00 0.00 C ATOM 485 O GLY A 34 -9.113 -1.441 0.062 1.00 0.00 O ATOM 0 H GLY A 34 -6.936 -3.443 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.573 -2.990 2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.951 -1.355 2.597 1.00 0.00 H new ATOM 489 N VAL A 35 -7.837 -3.291 0.188 1.00 0.00 N ATOM 490 CA VAL A 35 -7.616 -3.369 -1.251 1.00 0.00 C ATOM 491 C VAL A 35 -7.811 -4.793 -1.760 1.00 0.00 C ATOM 492 O VAL A 35 -8.180 -5.691 -1.002 1.00 0.00 O ATOM 493 CB VAL A 35 -6.201 -2.891 -1.628 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.943 -1.498 -1.074 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.155 -3.875 -1.126 1.00 0.00 C ATOM 0 H VAL A 35 -7.383 -4.030 0.725 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.350 -2.714 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.130 -2.843 -2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.939 -1.177 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.673 -0.801 -1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.032 -1.516 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.161 -3.522 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.224 -3.957 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.330 -4.853 -1.575 1.00 0.00 H new ATOM 505 N THR A 36 -7.562 -4.993 -3.051 1.00 0.00 N ATOM 506 CA THR A 36 -7.712 -6.307 -3.663 1.00 0.00 C ATOM 507 C THR A 36 -6.355 -6.912 -4.005 1.00 0.00 C ATOM 508 O THR A 36 -5.435 -6.204 -4.415 1.00 0.00 O ATOM 509 CB THR A 36 -8.567 -6.238 -4.942 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.619 -7.525 -5.567 1.00 0.00 O ATOM 511 CG2 THR A 36 -8.000 -5.217 -5.917 1.00 0.00 C ATOM 0 H THR A 36 -7.256 -4.261 -3.692 1.00 0.00 H new ATOM 0 HA THR A 36 -8.216 -6.940 -2.932 1.00 0.00 H new ATOM 0 HB THR A 36 -9.575 -5.930 -4.663 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.166 -7.473 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.620 -5.186 -6.813 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.990 -4.233 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.983 -5.500 -6.189 1.00 0.00 H new ATOM 519 N MET A 37 -6.237 -8.224 -3.834 1.00 0.00 N ATOM 520 CA MET A 37 -4.991 -8.924 -4.127 1.00 0.00 C ATOM 521 C MET A 37 -4.391 -8.437 -5.442 1.00 0.00 C ATOM 522 O MET A 37 -3.190 -8.184 -5.530 1.00 0.00 O ATOM 523 CB MET A 37 -5.232 -10.433 -4.191 1.00 0.00 C ATOM 524 CG MET A 37 -5.840 -11.006 -2.921 1.00 0.00 C ATOM 525 SD MET A 37 -6.863 -12.458 -3.234 1.00 0.00 S ATOM 526 CE MET A 37 -5.606 -13.702 -3.522 1.00 0.00 C ATOM 0 H MET A 37 -6.988 -8.824 -3.494 1.00 0.00 H new ATOM 0 HA MET A 37 -4.285 -8.710 -3.324 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.892 -10.652 -5.031 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.285 -10.936 -4.390 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.041 -11.272 -2.228 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.443 -10.240 -2.434 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.989 -14.454 -4.212 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.721 -13.233 -3.952 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.342 -14.177 -2.578 1.00 0.00 H new ATOM 536 N GLU A 38 -5.235 -8.309 -6.462 1.00 0.00 N ATOM 537 CA GLU A 38 -4.785 -7.853 -7.772 1.00 0.00 C ATOM 538 C GLU A 38 -4.011 -6.544 -7.656 1.00 0.00 C ATOM 539 O GLU A 38 -2.878 -6.437 -8.126 1.00 0.00 O ATOM 540 CB GLU A 38 -5.980 -7.671 -8.711 1.00 0.00 C ATOM 541 CG GLU A 38 -5.586 -7.311 -10.133 1.00 0.00 C ATOM 542 CD GLU A 38 -5.481 -5.813 -10.348 1.00 0.00 C ATOM 543 OE1 GLU A 38 -4.549 -5.197 -9.790 1.00 0.00 O ATOM 544 OE2 GLU A 38 -6.332 -5.257 -11.074 1.00 0.00 O ATOM 0 H GLU A 38 -6.233 -8.514 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.120 -8.612 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.563 -8.592 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.628 -6.890 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.629 -7.776 -10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.321 -7.723 -10.825 1.00 0.00 H new ATOM 551 N GLN A 39 -4.631 -5.550 -7.028 1.00 0.00 N ATOM 552 CA GLN A 39 -4.001 -4.247 -6.852 1.00 0.00 C ATOM 553 C GLN A 39 -2.577 -4.397 -6.327 1.00 0.00 C ATOM 554 O GLN A 39 -1.622 -3.939 -6.955 1.00 0.00 O ATOM 555 CB GLN A 39 -4.823 -3.385 -5.893 1.00 0.00 C ATOM 556 CG GLN A 39 -5.924 -2.592 -6.578 1.00 0.00 C ATOM 557 CD GLN A 39 -6.264 -1.310 -5.844 1.00 0.00 C ATOM 558 OE1 GLN A 39 -7.353 -1.170 -5.287 1.00 0.00 O ATOM 559 NE2 GLN A 39 -5.331 -0.365 -5.839 1.00 0.00 N ATOM 0 H GLN A 39 -5.569 -5.622 -6.633 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.960 -3.757 -7.825 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.268 -4.026 -5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.156 -2.694 -5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.615 -2.352 -7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.818 -3.211 -6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.442 -0.523 -6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.503 0.519 -5.361 1.00 0.00 H new ATOM 568 N ILE A 40 -2.443 -5.041 -5.172 1.00 0.00 N ATOM 569 CA ILE A 40 -1.135 -5.252 -4.563 1.00 0.00 C ATOM 570 C ILE A 40 -0.151 -5.846 -5.565 1.00 0.00 C ATOM 571 O ILE A 40 0.963 -5.349 -5.728 1.00 0.00 O ATOM 572 CB ILE A 40 -1.228 -6.182 -3.339 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.154 -5.577 -2.281 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.156 -6.432 -2.758 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.524 -6.544 -1.178 1.00 0.00 C ATOM 0 H ILE A 40 -3.223 -5.425 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.776 -4.275 -4.241 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.646 -7.137 -3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.669 -4.705 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.065 -5.225 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.074 -7.091 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.788 -6.900 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.598 -5.484 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.182 -6.048 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.037 -7.405 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.620 -6.877 -0.668 1.00 0.00 H new ATOM 587 N LYS A 41 -0.572 -6.913 -6.237 1.00 0.00 N ATOM 588 CA LYS A 41 0.270 -7.575 -7.227 1.00 0.00 C ATOM 589 C LYS A 41 0.614 -6.626 -8.370 1.00 0.00 C ATOM 590 O LYS A 41 1.765 -6.216 -8.524 1.00 0.00 O ATOM 591 CB LYS A 41 -0.434 -8.818 -7.776 1.00 0.00 C ATOM 592 CG LYS A 41 -0.691 -9.885 -6.726 1.00 0.00 C ATOM 593 CD LYS A 41 -1.886 -10.749 -7.090 1.00 0.00 C ATOM 594 CE LYS A 41 -1.473 -11.946 -7.932 1.00 0.00 C ATOM 595 NZ LYS A 41 -2.517 -13.008 -7.937 1.00 0.00 N ATOM 0 H LYS A 41 -1.491 -7.338 -6.114 1.00 0.00 H new ATOM 0 HA LYS A 41 1.196 -7.876 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.384 -8.521 -8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.172 -9.245 -8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.194 -10.513 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.864 -9.412 -5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.377 -11.095 -6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.615 -10.152 -7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.280 -11.621 -8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.540 -12.356 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.197 -13.806 -8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.683 -13.336 -6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.401 -12.624 -8.328 1.00 0.00 H new ATOM 609 N ARG A 42 -0.391 -6.280 -9.169 1.00 0.00 N ATOM 610 CA ARG A 42 -0.194 -5.379 -10.298 1.00 0.00 C ATOM 611 C ARG A 42 0.605 -4.148 -9.879 1.00 0.00 C ATOM 612 O ARG A 42 1.382 -3.604 -10.662 1.00 0.00 O ATOM 613 CB ARG A 42 -1.543 -4.951 -10.878 1.00 0.00 C ATOM 614 CG ARG A 42 -2.060 -5.877 -11.966 1.00 0.00 C ATOM 615 CD ARG A 42 -3.018 -5.157 -12.902 1.00 0.00 C ATOM 616 NE ARG A 42 -2.312 -4.401 -13.932 1.00 0.00 N ATOM 617 CZ ARG A 42 -2.923 -3.749 -14.915 1.00 0.00 C ATOM 618 NH1 ARG A 42 -4.246 -3.762 -15.000 1.00 0.00 N ATOM 619 NH2 ARG A 42 -2.211 -3.083 -15.815 1.00 0.00 N ATOM 0 H ARG A 42 -1.349 -6.610 -9.055 1.00 0.00 H new ATOM 0 HA ARG A 42 0.370 -5.914 -11.063 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.277 -4.905 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.451 -3.943 -11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.220 -6.273 -12.537 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.566 -6.728 -11.511 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.678 -5.884 -13.375 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.649 -4.481 -12.325 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.293 -4.372 -13.895 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.796 -4.273 -14.310 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.713 -3.261 -15.755 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.193 -3.071 -15.753 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.682 -2.583 -16.569 1.00 0.00 H new ATOM 633 N ALA A 43 0.408 -3.715 -8.638 1.00 0.00 N ATOM 634 CA ALA A 43 1.111 -2.551 -8.114 1.00 0.00 C ATOM 635 C ALA A 43 2.606 -2.822 -7.991 1.00 0.00 C ATOM 636 O ALA A 43 3.426 -1.920 -8.159 1.00 0.00 O ATOM 637 CB ALA A 43 0.532 -2.148 -6.766 1.00 0.00 C ATOM 0 H ALA A 43 -0.233 -4.153 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 43 0.975 -1.728 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.066 -1.277 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.524 -1.904 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.638 -2.974 -6.063 1.00 0.00 H new ATOM 643 N ASN A 44 2.954 -4.070 -7.695 1.00 0.00 N ATOM 644 CA ASN A 44 4.352 -4.459 -7.548 1.00 0.00 C ATOM 645 C ASN A 44 4.700 -5.607 -8.491 1.00 0.00 C ATOM 646 O ASN A 44 5.646 -6.357 -8.250 1.00 0.00 O ATOM 647 CB ASN A 44 4.640 -4.868 -6.101 1.00 0.00 C ATOM 648 CG ASN A 44 4.126 -3.851 -5.100 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.129 -2.648 -5.363 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.681 -4.331 -3.945 1.00 0.00 N ATOM 0 H ASN A 44 2.288 -4.829 -7.552 1.00 0.00 H new ATOM 0 HA ASN A 44 4.971 -3.600 -7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.179 -5.835 -5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.715 -4.993 -5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.323 -3.695 -3.233 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.697 -5.336 -3.770 1.00 0.00 H new ATOM 657 N ARG A 45 3.928 -5.736 -9.565 1.00 0.00 N ATOM 658 CA ARG A 45 4.154 -6.793 -10.544 1.00 0.00 C ATOM 659 C ARG A 45 4.733 -8.037 -9.878 1.00 0.00 C ATOM 660 O ARG A 45 5.691 -8.631 -10.374 1.00 0.00 O ATOM 661 CB ARG A 45 5.098 -6.304 -11.645 1.00 0.00 C ATOM 662 CG ARG A 45 6.190 -5.375 -11.141 1.00 0.00 C ATOM 663 CD ARG A 45 7.363 -6.153 -10.566 1.00 0.00 C ATOM 664 NE ARG A 45 8.162 -6.790 -11.610 1.00 0.00 N ATOM 665 CZ ARG A 45 8.910 -6.117 -12.477 1.00 0.00 C ATOM 666 NH1 ARG A 45 8.962 -4.793 -12.424 1.00 0.00 N ATOM 667 NH2 ARG A 45 9.609 -6.768 -13.398 1.00 0.00 N ATOM 0 H ARG A 45 3.142 -5.123 -9.779 1.00 0.00 H new ATOM 0 HA ARG A 45 3.193 -7.054 -10.988 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.559 -7.166 -12.126 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.516 -5.787 -12.408 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.537 -4.743 -11.958 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.782 -4.713 -10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.995 -5.480 -9.986 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.992 -6.913 -9.879 1.00 0.00 H new ATOM 0 HE ARG A 45 8.144 -7.808 -11.677 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.427 -4.290 -11.716 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.537 -4.278 -13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.572 -7.786 -13.441 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.183 -6.250 -14.063 1.00 0.00 H new ATOM 681 N LEU A 46 4.146 -8.426 -8.752 1.00 0.00 N ATOM 682 CA LEU A 46 4.603 -9.600 -8.016 1.00 0.00 C ATOM 683 C LEU A 46 4.285 -10.880 -8.782 1.00 0.00 C ATOM 684 O LEU A 46 4.810 -11.949 -8.470 1.00 0.00 O ATOM 685 CB LEU A 46 3.953 -9.645 -6.633 1.00 0.00 C ATOM 686 CG LEU A 46 4.692 -8.902 -5.519 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.851 -8.863 -4.253 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.040 -9.554 -5.247 1.00 0.00 C ATOM 0 H LEU A 46 3.352 -7.946 -8.328 1.00 0.00 H new ATOM 0 HA LEU A 46 5.684 -9.527 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.947 -9.232 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.846 -10.689 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 46 4.866 -7.877 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.394 -8.330 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.911 -8.350 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.645 -9.881 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.552 -9.013 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.888 -10.589 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.646 -9.528 -6.153 1.00 0.00 H new ATOM 700 N TYR A 47 3.424 -10.764 -9.787 1.00 0.00 N ATOM 701 CA TYR A 47 3.035 -11.912 -10.597 1.00 0.00 C ATOM 702 C TYR A 47 4.263 -12.634 -11.143 1.00 0.00 C ATOM 703 O TYR A 47 4.927 -12.151 -12.060 1.00 0.00 O ATOM 704 CB TYR A 47 2.136 -11.467 -11.752 1.00 0.00 C ATOM 705 CG TYR A 47 2.828 -10.555 -12.741 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.871 -9.181 -12.536 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.437 -11.067 -13.879 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.500 -8.344 -13.436 1.00 0.00 C ATOM 709 CE2 TYR A 47 4.070 -10.238 -14.785 1.00 0.00 C ATOM 710 CZ TYR A 47 4.099 -8.877 -14.559 1.00 0.00 C ATOM 711 OH TYR A 47 4.728 -8.048 -15.459 1.00 0.00 O ATOM 0 H TYR A 47 2.982 -9.886 -10.060 1.00 0.00 H new ATOM 0 HA TYR A 47 2.482 -12.603 -9.961 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.771 -12.349 -12.278 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.264 -10.954 -11.346 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.404 -8.761 -11.657 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.415 -12.132 -14.059 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.523 -7.278 -13.262 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.539 -10.653 -15.665 1.00 0.00 H new ATOM 0 HH TYR A 47 5.098 -8.582 -16.192 1.00 0.00 H new ATOM 721 N THR A 48 4.560 -13.798 -10.572 1.00 0.00 N ATOM 722 CA THR A 48 5.708 -14.588 -10.999 1.00 0.00 C ATOM 723 C THR A 48 5.335 -16.058 -11.156 1.00 0.00 C ATOM 724 O THR A 48 4.335 -16.517 -10.605 1.00 0.00 O ATOM 725 CB THR A 48 6.874 -14.470 -10.000 1.00 0.00 C ATOM 726 OG1 THR A 48 6.441 -14.859 -8.692 1.00 0.00 O ATOM 727 CG2 THR A 48 7.410 -13.046 -9.959 1.00 0.00 C ATOM 0 H THR A 48 4.021 -14.214 -9.813 1.00 0.00 H new ATOM 0 HA THR A 48 6.024 -14.191 -11.963 1.00 0.00 H new ATOM 0 HB THR A 48 7.673 -15.134 -10.330 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.428 -15.837 -8.629 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.233 -12.987 -9.247 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.767 -12.763 -10.949 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.615 -12.367 -9.652 1.00 0.00 H new ATOM 735 N ASN A 49 6.146 -16.792 -11.910 1.00 0.00 N ATOM 736 CA ASN A 49 5.901 -18.211 -12.140 1.00 0.00 C ATOM 737 C ASN A 49 5.666 -18.942 -10.821 1.00 0.00 C ATOM 738 O ASN A 49 4.776 -19.787 -10.718 1.00 0.00 O ATOM 739 CB ASN A 49 7.082 -18.841 -12.881 1.00 0.00 C ATOM 740 CG ASN A 49 7.139 -18.422 -14.338 1.00 0.00 C ATOM 741 OD1 ASN A 49 6.116 -18.109 -14.946 1.00 0.00 O ATOM 742 ND2 ASN A 49 8.340 -18.417 -14.905 1.00 0.00 N ATOM 0 H ASN A 49 6.979 -16.428 -12.372 1.00 0.00 H new ATOM 0 HA ASN A 49 5.005 -18.305 -12.753 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.011 -18.557 -12.387 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.008 -19.927 -12.820 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.441 -18.146 -15.883 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.161 -18.684 -14.362 1.00 0.00 H new ATOM 749 N ASP A 50 6.470 -18.611 -9.816 1.00 0.00 N ATOM 750 CA ASP A 50 6.349 -19.235 -8.504 1.00 0.00 C ATOM 751 C ASP A 50 5.673 -18.291 -7.514 1.00 0.00 C ATOM 752 O ASP A 50 5.690 -17.073 -7.692 1.00 0.00 O ATOM 753 CB ASP A 50 7.727 -19.642 -7.980 1.00 0.00 C ATOM 754 CG ASP A 50 8.449 -20.585 -8.921 1.00 0.00 C ATOM 755 OD1 ASP A 50 7.873 -21.641 -9.261 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.589 -20.268 -9.320 1.00 0.00 O ATOM 0 H ASP A 50 7.212 -17.914 -9.885 1.00 0.00 H new ATOM 0 HA ASP A 50 5.731 -20.127 -8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.333 -18.749 -7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.616 -20.120 -7.007 1.00 0.00 H new ATOM 761 N SER A 51 5.077 -18.862 -6.472 1.00 0.00 N ATOM 762 CA SER A 51 4.391 -18.072 -5.456 1.00 0.00 C ATOM 763 C SER A 51 5.141 -16.772 -5.181 1.00 0.00 C ATOM 764 O SER A 51 6.344 -16.674 -5.423 1.00 0.00 O ATOM 765 CB SER A 51 4.251 -18.876 -4.162 1.00 0.00 C ATOM 766 OG SER A 51 3.409 -20.000 -4.350 1.00 0.00 O ATOM 0 H SER A 51 5.055 -19.869 -6.309 1.00 0.00 H new ATOM 0 HA SER A 51 3.398 -17.826 -5.832 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.234 -19.206 -3.827 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.844 -18.239 -3.377 1.00 0.00 H new ATOM 0 HG SER A 51 3.337 -20.499 -3.510 1.00 0.00 H new ATOM 772 N ILE A 52 4.421 -15.777 -4.674 1.00 0.00 N ATOM 773 CA ILE A 52 5.017 -14.483 -4.365 1.00 0.00 C ATOM 774 C ILE A 52 5.999 -14.594 -3.203 1.00 0.00 C ATOM 775 O ILE A 52 6.861 -13.734 -3.021 1.00 0.00 O ATOM 776 CB ILE A 52 3.942 -13.437 -4.016 1.00 0.00 C ATOM 777 CG1 ILE A 52 3.098 -13.916 -2.833 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.061 -13.160 -5.225 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.546 -12.788 -1.990 1.00 0.00 C ATOM 0 H ILE A 52 3.424 -15.842 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 52 5.550 -14.159 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 52 4.438 -12.509 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.270 -14.518 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.705 -14.566 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.306 -12.419 -4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.674 -12.780 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.571 -14.082 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.958 -13.201 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.369 -12.199 -1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.912 -12.150 -2.606 1.00 0.00 H new ATOM 791 N PHE A 53 5.863 -15.659 -2.421 1.00 0.00 N ATOM 792 CA PHE A 53 6.739 -15.884 -1.277 1.00 0.00 C ATOM 793 C PHE A 53 8.203 -15.712 -1.670 1.00 0.00 C ATOM 794 O PHE A 53 9.068 -15.513 -0.816 1.00 0.00 O ATOM 795 CB PHE A 53 6.514 -17.284 -0.702 1.00 0.00 C ATOM 796 CG PHE A 53 5.237 -17.414 0.078 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.120 -16.854 1.340 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.153 -18.096 -0.451 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.947 -16.972 2.061 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.976 -18.216 0.265 1.00 0.00 C ATOM 801 CZ PHE A 53 2.874 -17.655 1.522 1.00 0.00 C ATOM 0 H PHE A 53 5.155 -16.380 -2.558 1.00 0.00 H new ATOM 0 HA PHE A 53 6.497 -15.143 -0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.507 -18.006 -1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.353 -17.542 -0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.956 -16.319 1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.228 -18.539 -1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.869 -16.531 3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.137 -18.748 -0.159 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.956 -17.750 2.084 1.00 0.00 H new ATOM 811 N LEU A 54 8.473 -15.791 -2.968 1.00 0.00 N ATOM 812 CA LEU A 54 9.833 -15.646 -3.477 1.00 0.00 C ATOM 813 C LEU A 54 10.493 -14.391 -2.915 1.00 0.00 C ATOM 814 O LEU A 54 11.707 -14.351 -2.716 1.00 0.00 O ATOM 815 CB LEU A 54 9.823 -15.590 -5.006 1.00 0.00 C ATOM 816 CG LEU A 54 9.301 -16.837 -5.720 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.823 -16.490 -7.121 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.378 -17.911 -5.773 1.00 0.00 C ATOM 0 H LEU A 54 7.769 -15.955 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 54 10.410 -16.513 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.216 -14.739 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.840 -15.398 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 54 8.454 -17.227 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.455 -17.390 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.020 -15.756 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.651 -16.075 -7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.989 -18.791 -6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.245 -17.531 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.673 -18.181 -4.759 1.00 0.00 H new ATOM 830 N LYS A 55 9.685 -13.368 -2.660 1.00 0.00 N ATOM 831 CA LYS A 55 10.188 -12.111 -2.117 1.00 0.00 C ATOM 832 C LYS A 55 10.316 -12.187 -0.599 1.00 0.00 C ATOM 833 O LYS A 55 10.074 -13.233 0.004 1.00 0.00 O ATOM 834 CB LYS A 55 9.262 -10.957 -2.504 1.00 0.00 C ATOM 835 CG LYS A 55 9.079 -10.801 -4.004 1.00 0.00 C ATOM 836 CD LYS A 55 10.191 -9.968 -4.618 1.00 0.00 C ATOM 837 CE LYS A 55 10.168 -10.040 -6.137 1.00 0.00 C ATOM 838 NZ LYS A 55 11.350 -9.365 -6.743 1.00 0.00 N ATOM 0 H LYS A 55 8.678 -13.384 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 55 11.177 -11.932 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.287 -11.114 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.662 -10.029 -2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.059 -11.785 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.117 -10.331 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.088 -8.930 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.155 -10.319 -4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.146 -11.084 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.255 -9.576 -6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.297 -9.436 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.358 -8.363 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.221 -9.824 -6.409 1.00 0.00 H new ATOM 852 N LYS A 56 10.697 -11.071 0.014 1.00 0.00 N ATOM 853 CA LYS A 56 10.855 -11.010 1.463 1.00 0.00 C ATOM 854 C LYS A 56 9.852 -10.039 2.078 1.00 0.00 C ATOM 855 O LYS A 56 9.162 -10.371 3.042 1.00 0.00 O ATOM 856 CB LYS A 56 12.280 -10.584 1.824 1.00 0.00 C ATOM 857 CG LYS A 56 13.338 -11.594 1.414 1.00 0.00 C ATOM 858 CD LYS A 56 14.711 -11.207 1.938 1.00 0.00 C ATOM 859 CE LYS A 56 15.766 -12.230 1.546 1.00 0.00 C ATOM 860 NZ LYS A 56 17.040 -12.026 2.290 1.00 0.00 N ATOM 0 H LYS A 56 10.902 -10.197 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 56 10.667 -12.005 1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.497 -9.629 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.341 -10.423 2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.068 -12.580 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.370 -11.668 0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.988 -10.228 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.675 -11.117 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.388 -13.234 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.956 -12.163 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.733 -12.743 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.414 -11.078 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.864 -12.115 3.311 1.00 0.00 H new ATOM 874 N THR A 57 9.775 -8.837 1.514 1.00 0.00 N ATOM 875 CA THR A 57 8.857 -7.819 2.006 1.00 0.00 C ATOM 876 C THR A 57 7.986 -7.273 0.881 1.00 0.00 C ATOM 877 O THR A 57 8.467 -7.024 -0.226 1.00 0.00 O ATOM 878 CB THR A 57 9.614 -6.651 2.667 1.00 0.00 C ATOM 879 OG1 THR A 57 10.903 -6.499 2.062 1.00 0.00 O ATOM 880 CG2 THR A 57 9.774 -6.887 4.161 1.00 0.00 C ATOM 0 H THR A 57 10.339 -8.546 0.715 1.00 0.00 H new ATOM 0 HA THR A 57 8.223 -8.300 2.751 1.00 0.00 H new ATOM 0 HB THR A 57 9.034 -5.740 2.519 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.378 -5.754 2.486 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.311 -6.050 4.606 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.791 -6.974 4.623 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.335 -7.807 4.326 1.00 0.00 H new ATOM 888 N LEU A 58 6.702 -7.087 1.169 1.00 0.00 N ATOM 889 CA LEU A 58 5.764 -6.569 0.180 1.00 0.00 C ATOM 890 C LEU A 58 5.126 -5.270 0.663 1.00 0.00 C ATOM 891 O LEU A 58 4.652 -5.184 1.796 1.00 0.00 O ATOM 892 CB LEU A 58 4.678 -7.606 -0.114 1.00 0.00 C ATOM 893 CG LEU A 58 5.149 -8.902 -0.773 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.970 -9.656 -1.371 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.193 -8.609 -1.840 1.00 0.00 C ATOM 0 H LEU A 58 6.287 -7.287 2.079 1.00 0.00 H new ATOM 0 HA LEU A 58 6.317 -6.362 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.181 -7.858 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.929 -7.146 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 58 5.606 -9.530 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.324 -10.576 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.256 -9.899 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.484 -9.034 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.517 -9.543 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.762 -7.961 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.050 -8.112 -1.384 1.00 0.00 H new ATOM 907 N TYR A 59 5.115 -4.264 -0.205 1.00 0.00 N ATOM 908 CA TYR A 59 4.535 -2.970 0.133 1.00 0.00 C ATOM 909 C TYR A 59 3.029 -2.967 -0.112 1.00 0.00 C ATOM 910 O TYR A 59 2.535 -3.641 -1.015 1.00 0.00 O ATOM 911 CB TYR A 59 5.199 -1.861 -0.685 1.00 0.00 C ATOM 912 CG TYR A 59 6.628 -2.166 -1.072 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.504 -2.750 -0.165 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.102 -1.872 -2.344 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.811 -3.030 -0.514 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.407 -2.150 -2.703 1.00 0.00 C ATOM 917 CZ TYR A 59 9.258 -2.729 -1.784 1.00 0.00 C ATOM 918 OH TYR A 59 10.559 -3.007 -2.136 1.00 0.00 O ATOM 0 H TYR A 59 5.501 -4.320 -1.147 1.00 0.00 H new ATOM 0 HA TYR A 59 4.712 -2.786 1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.615 -1.689 -1.589 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.177 -0.935 -0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.157 -2.989 0.829 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.439 -1.418 -3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.479 -3.482 0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.759 -1.916 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 59 10.712 -2.735 -3.065 1.00 0.00 H new ATOM 928 N ILE A 60 2.306 -2.202 0.699 1.00 0.00 N ATOM 929 CA ILE A 60 0.857 -2.109 0.570 1.00 0.00 C ATOM 930 C ILE A 60 0.427 -0.690 0.215 1.00 0.00 C ATOM 931 O ILE A 60 0.734 0.273 0.918 1.00 0.00 O ATOM 932 CB ILE A 60 0.148 -2.539 1.868 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.586 -3.948 2.272 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.362 -2.478 1.691 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.038 -5.032 1.372 1.00 0.00 C ATOM 0 H ILE A 60 2.700 -1.638 1.452 1.00 0.00 H new ATOM 0 HA ILE A 60 0.567 -2.786 -0.234 1.00 0.00 H new ATOM 0 HB ILE A 60 0.430 -1.850 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.675 -3.997 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.265 -4.140 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.849 -2.785 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.659 -1.458 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.661 -3.147 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.389 -6.004 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.051 -5.010 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.381 -4.865 0.351 1.00 0.00 H new ATOM 947 N PRO A 61 -0.302 -0.555 -0.902 1.00 0.00 N ATOM 948 CA PRO A 61 -0.793 0.743 -1.376 1.00 0.00 C ATOM 949 C PRO A 61 -1.885 1.313 -0.477 1.00 0.00 C ATOM 950 O PRO A 61 -2.951 0.715 -0.324 1.00 0.00 O ATOM 951 CB PRO A 61 -1.355 0.425 -2.764 1.00 0.00 C ATOM 952 CG PRO A 61 -1.712 -1.020 -2.706 1.00 0.00 C ATOM 953 CD PRO A 61 -0.705 -1.659 -1.789 1.00 0.00 C ATOM 0 HA PRO A 61 -0.007 1.498 -1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.227 1.039 -2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.618 0.620 -3.544 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.725 -1.157 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.678 -1.471 -3.698 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.140 -2.486 -1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.144 -2.060 -2.342 1.00 0.00 H new ATOM 961 N ILE A 62 -1.613 2.471 0.115 1.00 0.00 N ATOM 962 CA ILE A 62 -2.573 3.122 0.998 1.00 0.00 C ATOM 963 C ILE A 62 -3.496 4.051 0.216 1.00 0.00 C ATOM 964 O ILE A 62 -3.041 4.992 -0.435 1.00 0.00 O ATOM 965 CB ILE A 62 -1.866 3.929 2.102 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.668 3.148 2.648 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.841 4.262 3.221 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.269 3.988 3.487 1.00 0.00 C ATOM 0 H ILE A 62 -0.735 2.978 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.164 2.331 1.460 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.502 4.862 1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.031 2.314 3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.112 2.721 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.326 4.833 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.665 4.853 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.231 3.339 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.094 3.370 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.661 4.807 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.272 4.393 4.342 1.00 0.00 H new