USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 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 26 THR OG1 : rot -140:sc= -3.23! USER MOD Set 1.2: A 29 GLN : amide:sc= -2.65! C(o=-5.9!,f=-7.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= 1.08 (180deg=0.806) USER MOD Single : A 62 SER OG : rot -164:sc= -0.257 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.0214 USER MOD Single : A 73 MET CE :methyl 158:sc= -0.157 (180deg=-1.43) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.412) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.309 -6.570 -2.036 1.00 0.00 N ATOM 184 CA LEU A 13 -3.785 -7.027 -0.747 1.00 0.00 C ATOM 185 C LEU A 13 -2.293 -6.691 -0.632 1.00 0.00 C ATOM 186 O LEU A 13 -1.801 -6.387 0.456 1.00 0.00 O ATOM 187 CB LEU A 13 -3.981 -8.556 -0.641 1.00 0.00 C ATOM 188 CG LEU A 13 -5.344 -8.920 -0.005 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.474 -8.014 -0.531 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.669 -10.383 -0.345 1.00 0.00 C ATOM 0 HA LEU A 13 -4.320 -6.525 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.913 -9.000 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.176 -8.985 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.273 -8.777 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.416 -8.299 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.249 -6.975 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.557 -8.127 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.628 -10.655 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.721 -10.502 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.889 -11.031 0.054 1.00 0.00 H new ATOM 202 N ARG A 14 -1.576 -6.775 -1.752 1.00 0.00 N ATOM 203 CA ARG A 14 -0.133 -6.507 -1.754 1.00 0.00 C ATOM 204 C ARG A 14 0.192 -5.020 -1.900 1.00 0.00 C ATOM 205 O ARG A 14 1.246 -4.571 -1.450 1.00 0.00 O ATOM 206 CB ARG A 14 0.546 -7.283 -2.887 1.00 0.00 C ATOM 207 CG ARG A 14 -0.095 -6.925 -4.228 1.00 0.00 C ATOM 208 CD ARG A 14 0.611 -7.708 -5.337 1.00 0.00 C ATOM 209 NE ARG A 14 -0.097 -7.557 -6.602 1.00 0.00 N ATOM 210 CZ ARG A 14 -0.044 -6.419 -7.287 1.00 0.00 C ATOM 211 NH1 ARG A 14 0.631 -5.406 -6.817 1.00 0.00 N ATOM 212 NH2 ARG A 14 -0.669 -6.313 -8.427 1.00 0.00 N ATOM 0 H ARG A 14 -1.963 -7.024 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 14 0.247 -6.836 -0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.611 -7.050 -2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.458 -8.355 -2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.158 -7.166 -4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.013 -5.854 -4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.636 -7.354 -5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.664 -8.763 -5.068 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.642 -8.338 -6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.118 -5.488 -5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.672 -4.533 -7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.199 -7.104 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.628 -5.439 -8.952 1.00 0.00 H new ATOM 226 N ILE A 15 -0.693 -4.260 -2.536 1.00 0.00 N ATOM 227 CA ILE A 15 -0.443 -2.838 -2.727 1.00 0.00 C ATOM 228 C ILE A 15 -0.367 -2.102 -1.393 1.00 0.00 C ATOM 229 O ILE A 15 0.093 -0.960 -1.335 1.00 0.00 O ATOM 230 CB ILE A 15 -1.550 -2.240 -3.598 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.484 -2.866 -5.001 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.365 -0.722 -3.701 1.00 0.00 C ATOM 233 CD1 ILE A 15 -2.828 -2.693 -5.704 1.00 0.00 C ATOM 0 H ILE A 15 -1.575 -4.598 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 15 0.520 -2.721 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.521 -2.451 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.694 -2.393 -5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.235 -3.925 -4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.155 -0.300 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.412 -0.281 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.396 -0.503 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.779 -3.137 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.608 -3.186 -5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.058 -1.631 -5.792 1.00 0.00 H new ATOM 245 N ALA A 16 -0.828 -2.746 -0.322 1.00 0.00 N ATOM 246 CA ALA A 16 -0.815 -2.126 1.001 1.00 0.00 C ATOM 247 C ALA A 16 0.463 -2.446 1.758 1.00 0.00 C ATOM 248 O ALA A 16 0.802 -1.766 2.723 1.00 0.00 O ATOM 249 CB ALA A 16 -2.036 -2.572 1.800 1.00 0.00 C ATOM 0 H ALA A 16 -1.213 -3.690 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.852 -1.045 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.017 -2.105 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.943 -2.275 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.021 -3.656 1.913 1.00 0.00 H new ATOM 255 N LEU A 17 1.190 -3.454 1.309 1.00 0.00 N ATOM 256 CA LEU A 17 2.448 -3.791 1.960 1.00 0.00 C ATOM 257 C LEU A 17 3.466 -2.721 1.605 1.00 0.00 C ATOM 258 O LEU A 17 4.361 -2.403 2.388 1.00 0.00 O ATOM 259 CB LEU A 17 2.938 -5.173 1.504 1.00 0.00 C ATOM 260 CG LEU A 17 2.249 -6.280 2.324 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.763 -6.284 3.781 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.730 -6.050 2.311 1.00 0.00 C ATOM 0 H LEU A 17 0.941 -4.043 0.514 1.00 0.00 H new ATOM 0 HA LEU A 17 2.310 -3.831 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.726 -5.310 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.019 -5.241 1.624 1.00 0.00 H new ATOM 0 HG LEU A 17 2.482 -7.246 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.263 -7.074 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.839 -6.461 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.551 -5.320 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.239 -6.832 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.505 -5.078 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.367 -6.077 1.284 1.00 0.00 H new ATOM 274 N ALA A 18 3.300 -2.157 0.414 1.00 0.00 N ATOM 275 CA ALA A 18 4.181 -1.105 -0.058 1.00 0.00 C ATOM 276 C ALA A 18 4.220 0.032 0.954 1.00 0.00 C ATOM 277 O ALA A 18 5.280 0.584 1.242 1.00 0.00 O ATOM 278 CB ALA A 18 3.685 -0.597 -1.411 1.00 0.00 C ATOM 0 H ALA A 18 2.561 -2.414 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 18 5.190 -1.500 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.346 0.193 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.681 -1.418 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.674 -0.204 -1.304 1.00 0.00 H new ATOM 284 N ALA A 19 3.061 0.371 1.508 1.00 0.00 N ATOM 285 CA ALA A 19 3.003 1.439 2.503 1.00 0.00 C ATOM 286 C ALA A 19 4.159 1.271 3.494 1.00 0.00 C ATOM 287 O ALA A 19 4.746 2.252 3.950 1.00 0.00 O ATOM 288 CB ALA A 19 1.660 1.422 3.236 1.00 0.00 C ATOM 0 H ALA A 19 2.165 -0.067 1.292 1.00 0.00 H new ATOM 0 HA ALA A 19 3.097 2.402 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.637 2.225 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.852 1.565 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.533 0.464 3.740 1.00 0.00 H new ATOM 294 N ARG A 20 4.485 0.016 3.808 1.00 0.00 N ATOM 295 CA ARG A 20 5.582 -0.268 4.727 1.00 0.00 C ATOM 296 C ARG A 20 6.919 0.142 4.107 1.00 0.00 C ATOM 297 O ARG A 20 7.773 0.717 4.782 1.00 0.00 O ATOM 298 CB ARG A 20 5.612 -1.761 5.070 1.00 0.00 C ATOM 299 CG ARG A 20 6.529 -1.992 6.274 1.00 0.00 C ATOM 300 CD ARG A 20 6.471 -3.464 6.691 1.00 0.00 C ATOM 301 NE ARG A 20 7.342 -3.698 7.838 1.00 0.00 N ATOM 302 CZ ARG A 20 7.632 -4.931 8.244 1.00 0.00 C ATOM 303 NH1 ARG A 20 7.130 -5.960 7.618 1.00 0.00 N ATOM 304 NH2 ARG A 20 8.417 -5.111 9.271 1.00 0.00 N ATOM 0 H ARG A 20 4.010 -0.809 3.443 1.00 0.00 H new ATOM 0 HA ARG A 20 5.423 0.307 5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.605 -2.114 5.294 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.967 -2.334 4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.553 -1.715 6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.222 -1.356 7.105 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.446 -3.738 6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.776 -4.098 5.858 1.00 0.00 H new ATOM 0 HE ARG A 20 7.736 -2.901 8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.515 -5.819 6.817 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.353 -6.905 7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.808 -4.307 9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.640 -6.056 9.583 1.00 0.00 H new ATOM 318 N ALA A 21 7.097 -0.161 2.821 1.00 0.00 N ATOM 319 CA ALA A 21 8.338 0.175 2.121 1.00 0.00 C ATOM 320 C ALA A 21 8.617 1.663 2.181 1.00 0.00 C ATOM 321 O ALA A 21 9.677 2.115 1.753 1.00 0.00 O ATOM 322 CB ALA A 21 8.237 -0.229 0.645 1.00 0.00 C ATOM 0 H ALA A 21 6.402 -0.636 2.245 1.00 0.00 H new ATOM 0 HA ALA A 21 9.146 -0.367 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.165 0.025 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.065 -1.303 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.408 0.303 0.178 1.00 0.00 H new ATOM 328 N LEU A 22 7.657 2.428 2.684 1.00 0.00 N ATOM 329 CA LEU A 22 7.795 3.876 2.760 1.00 0.00 C ATOM 330 C LEU A 22 7.873 4.327 4.224 1.00 0.00 C ATOM 331 O LEU A 22 7.261 3.708 5.094 1.00 0.00 O ATOM 332 CB LEU A 22 6.579 4.517 2.088 1.00 0.00 C ATOM 333 CG LEU A 22 6.324 3.855 0.721 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.981 4.328 0.165 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.450 4.224 -0.257 1.00 0.00 C ATOM 0 H LEU A 22 6.773 2.069 3.046 1.00 0.00 H new ATOM 0 HA LEU A 22 8.711 4.183 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.701 4.407 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.746 5.586 1.958 1.00 0.00 H new ATOM 0 HG LEU A 22 6.302 2.772 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.802 3.859 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.184 4.052 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.998 5.411 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.263 3.752 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.483 5.306 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.404 3.876 0.138 1.00 0.00 H new ATOM 347 N PRO A 23 8.607 5.376 4.517 1.00 0.00 N ATOM 348 CA PRO A 23 8.746 5.885 5.917 1.00 0.00 C ATOM 349 C PRO A 23 7.425 6.407 6.494 1.00 0.00 C ATOM 350 O PRO A 23 6.825 5.767 7.358 1.00 0.00 O ATOM 351 CB PRO A 23 9.793 7.009 5.799 1.00 0.00 C ATOM 352 CG PRO A 23 9.742 7.439 4.368 1.00 0.00 C ATOM 353 CD PRO A 23 9.387 6.190 3.565 1.00 0.00 C ATOM 0 HA PRO A 23 9.044 5.094 6.606 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.560 7.837 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.787 6.652 6.068 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.997 8.221 4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.701 7.848 4.049 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.805 6.436 2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.280 5.664 3.225 1.00 0.00 H new ATOM 361 N GLY A 24 6.989 7.584 6.032 1.00 0.00 N ATOM 362 CA GLY A 24 5.749 8.195 6.534 1.00 0.00 C ATOM 363 C GLY A 24 4.713 8.389 5.430 1.00 0.00 C ATOM 364 O GLY A 24 4.061 9.432 5.363 1.00 0.00 O ATOM 0 H GLY A 24 7.470 8.130 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.328 7.566 7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.979 9.159 6.987 1.00 0.00 H new ATOM 368 N THR A 25 4.547 7.380 4.576 1.00 0.00 N ATOM 369 CA THR A 25 3.565 7.447 3.486 1.00 0.00 C ATOM 370 C THR A 25 2.512 6.358 3.657 1.00 0.00 C ATOM 371 O THR A 25 2.840 5.199 3.913 1.00 0.00 O ATOM 372 CB THR A 25 4.260 7.273 2.135 1.00 0.00 C ATOM 373 OG1 THR A 25 5.433 8.073 2.098 1.00 0.00 O ATOM 374 CG2 THR A 25 3.310 7.700 1.013 1.00 0.00 C ATOM 0 H THR A 25 5.076 6.508 4.614 1.00 0.00 H new ATOM 0 HA THR A 25 3.082 8.423 3.519 1.00 0.00 H new ATOM 0 HB THR A 25 4.533 6.227 1.999 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.879 7.960 1.233 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.805 7.576 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.412 7.082 1.042 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.035 8.746 1.148 1.00 0.00 H new ATOM 382 N THR A 26 1.245 6.737 3.522 1.00 0.00 N ATOM 383 CA THR A 26 0.146 5.791 3.669 1.00 0.00 C ATOM 384 C THR A 26 -0.090 5.034 2.361 1.00 0.00 C ATOM 385 O THR A 26 0.461 5.380 1.316 1.00 0.00 O ATOM 386 CB THR A 26 -1.134 6.555 4.094 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.826 7.934 4.221 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.651 6.034 5.438 1.00 0.00 C ATOM 0 H THR A 26 0.955 7.692 3.311 1.00 0.00 H new ATOM 0 HA THR A 26 0.401 5.061 4.438 1.00 0.00 H new ATOM 0 HB THR A 26 -1.904 6.403 3.337 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.287 8.301 5.004 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.550 6.583 5.719 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.886 4.973 5.351 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.886 6.175 6.202 1.00 0.00 H new ATOM 396 N VAL A 27 -0.912 3.995 2.444 1.00 0.00 N ATOM 397 CA VAL A 27 -1.227 3.174 1.283 1.00 0.00 C ATOM 398 C VAL A 27 -1.896 3.999 0.191 1.00 0.00 C ATOM 399 O VAL A 27 -1.406 4.072 -0.936 1.00 0.00 O ATOM 400 CB VAL A 27 -2.172 2.036 1.683 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.368 1.091 0.493 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.593 1.250 2.862 1.00 0.00 C ATOM 0 H VAL A 27 -1.373 3.701 3.305 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.290 2.769 0.902 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.130 2.464 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.040 0.282 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.798 1.643 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.405 0.675 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.276 0.445 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.629 0.827 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.461 1.917 3.714 1.00 0.00 H new ATOM 412 N GLY A 28 -3.034 4.590 0.524 1.00 0.00 N ATOM 413 CA GLY A 28 -3.786 5.378 -0.443 1.00 0.00 C ATOM 414 C GLY A 28 -3.117 6.713 -0.756 1.00 0.00 C ATOM 415 O GLY A 28 -3.716 7.560 -1.419 1.00 0.00 O ATOM 0 H GLY A 28 -3.456 4.540 1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.897 4.806 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.789 5.560 -0.057 1.00 0.00 H new ATOM 419 N GLN A 29 -1.880 6.913 -0.292 1.00 0.00 N ATOM 420 CA GLN A 29 -1.177 8.172 -0.559 1.00 0.00 C ATOM 421 C GLN A 29 -0.199 8.010 -1.719 1.00 0.00 C ATOM 422 O GLN A 29 0.319 8.998 -2.235 1.00 0.00 O ATOM 423 CB GLN A 29 -0.419 8.638 0.696 1.00 0.00 C ATOM 424 CG GLN A 29 -1.393 9.260 1.710 1.00 0.00 C ATOM 425 CD GLN A 29 -0.619 10.075 2.740 1.00 0.00 C ATOM 426 OE1 GLN A 29 0.587 10.270 2.600 1.00 0.00 O ATOM 427 NE2 GLN A 29 -1.247 10.568 3.773 1.00 0.00 N ATOM 0 H GLN A 29 -1.353 6.235 0.259 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.920 8.923 -0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.099 7.793 1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.342 9.367 0.419 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.111 9.897 1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.963 8.476 2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.247 10.405 3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.737 11.116 4.466 1.00 0.00 H new ATOM 436 N LEU A 30 0.057 6.767 -2.127 1.00 0.00 N ATOM 437 CA LEU A 30 0.989 6.511 -3.230 1.00 0.00 C ATOM 438 C LEU A 30 0.246 6.298 -4.548 1.00 0.00 C ATOM 439 O LEU A 30 0.851 6.357 -5.620 1.00 0.00 O ATOM 440 CB LEU A 30 1.853 5.282 -2.906 1.00 0.00 C ATOM 441 CG LEU A 30 1.001 3.981 -2.948 1.00 0.00 C ATOM 442 CD1 LEU A 30 1.222 3.237 -4.274 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.408 3.050 -1.795 1.00 0.00 C ATOM 0 H LEU A 30 -0.360 5.931 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 30 1.629 7.386 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.672 5.209 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.301 5.397 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.049 4.260 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.619 2.329 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.929 3.879 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.275 2.974 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.807 2.141 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.463 2.791 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.244 3.556 -0.844 1.00 0.00 H new ATOM 455 N LEU A 31 -1.062 6.041 -4.474 1.00 0.00 N ATOM 456 CA LEU A 31 -1.871 5.810 -5.678 1.00 0.00 C ATOM 457 C LEU A 31 -2.837 6.975 -5.915 1.00 0.00 C ATOM 458 O LEU A 31 -2.813 7.610 -6.969 1.00 0.00 O ATOM 459 CB LEU A 31 -2.662 4.500 -5.505 1.00 0.00 C ATOM 460 CG LEU A 31 -2.990 3.878 -6.870 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.839 2.620 -6.661 1.00 0.00 C ATOM 462 CD2 LEU A 31 -3.769 4.883 -7.729 1.00 0.00 C ATOM 0 H LEU A 31 -1.583 5.987 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.211 5.735 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.082 3.795 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.584 4.696 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.062 3.617 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.074 2.175 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.284 1.903 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.764 2.886 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.998 4.435 -8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.697 5.151 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.166 5.779 -7.878 1.00 0.00 H new ATOM 715 N LEU A 47 -1.858 0.532 -12.777 1.00 0.00 N ATOM 716 CA LEU A 47 -0.726 1.047 -12.011 1.00 0.00 C ATOM 717 C LEU A 47 0.509 1.192 -12.901 1.00 0.00 C ATOM 718 O LEU A 47 1.181 2.223 -12.882 1.00 0.00 O ATOM 719 CB LEU A 47 -0.410 0.110 -10.840 1.00 0.00 C ATOM 720 CG LEU A 47 -1.711 -0.370 -10.194 1.00 0.00 C ATOM 721 CD1 LEU A 47 -1.385 -1.157 -8.924 1.00 0.00 C ATOM 722 CD2 LEU A 47 -2.584 0.835 -9.834 1.00 0.00 C ATOM 0 HA LEU A 47 -0.996 2.030 -11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.169 -0.744 -11.192 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.203 0.628 -10.103 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.249 -1.009 -10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.310 -1.500 -8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.765 -2.017 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.847 -0.515 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.510 0.489 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.048 1.476 -9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.816 1.399 -10.737 1.00 0.00 H new ATOM 734 N GLN A 48 0.799 0.152 -13.677 1.00 0.00 N ATOM 735 CA GLN A 48 1.955 0.174 -14.569 1.00 0.00 C ATOM 736 C GLN A 48 1.755 1.206 -15.675 1.00 0.00 C ATOM 737 O GLN A 48 1.568 0.853 -16.839 1.00 0.00 O ATOM 738 CB GLN A 48 2.163 -1.207 -15.195 1.00 0.00 C ATOM 739 CG GLN A 48 2.282 -2.258 -14.090 1.00 0.00 C ATOM 740 CD GLN A 48 2.332 -3.656 -14.701 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.369 -4.320 -14.651 1.00 0.00 O ATOM 742 NE2 GLN A 48 1.267 -4.147 -15.275 1.00 0.00 N ATOM 0 H GLN A 48 0.255 -0.710 -13.707 1.00 0.00 H new ATOM 0 HA GLN A 48 2.835 0.443 -13.984 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.328 -1.449 -15.853 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.063 -1.207 -15.810 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.181 -2.078 -13.501 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.434 -2.180 -13.410 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.410 -3.596 -15.315 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.292 -5.082 -15.683 1.00 0.00 H new ATOM 751 N GLY A 49 1.794 2.483 -15.301 1.00 0.00 N ATOM 752 CA GLY A 49 1.615 3.563 -16.267 1.00 0.00 C ATOM 753 C GLY A 49 2.346 4.824 -15.817 1.00 0.00 C ATOM 754 O GLY A 49 2.266 5.863 -16.474 1.00 0.00 O ATOM 0 H GLY A 49 1.947 2.794 -14.342 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.989 3.250 -17.242 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.553 3.777 -16.386 1.00 0.00 H new ATOM 758 N VAL A 50 3.060 4.727 -14.693 1.00 0.00 N ATOM 759 CA VAL A 50 3.809 5.870 -14.153 1.00 0.00 C ATOM 760 C VAL A 50 5.284 5.492 -13.979 1.00 0.00 C ATOM 761 O VAL A 50 5.661 4.337 -14.171 1.00 0.00 O ATOM 762 CB VAL A 50 3.172 6.311 -12.805 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.859 5.633 -11.605 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.273 7.836 -12.647 1.00 0.00 C ATOM 0 H VAL A 50 3.137 3.874 -14.139 1.00 0.00 H new ATOM 0 HA VAL A 50 3.760 6.709 -14.847 1.00 0.00 H new ATOM 0 HB VAL A 50 2.126 6.006 -12.822 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.387 5.965 -10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.762 4.551 -11.694 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.915 5.902 -11.591 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.824 8.134 -11.700 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.321 8.135 -12.662 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.746 8.323 -13.468 1.00 0.00 H new ATOM 774 N SER A 51 6.116 6.467 -13.607 1.00 0.00 N ATOM 775 CA SER A 51 7.545 6.226 -13.397 1.00 0.00 C ATOM 776 C SER A 51 7.867 6.453 -11.929 1.00 0.00 C ATOM 777 O SER A 51 7.075 7.061 -11.223 1.00 0.00 O ATOM 778 CB SER A 51 8.372 7.178 -14.263 1.00 0.00 C ATOM 779 OG SER A 51 8.056 6.960 -15.631 1.00 0.00 O ATOM 0 H SER A 51 5.825 7.431 -13.445 1.00 0.00 H new ATOM 0 HA SER A 51 7.789 5.201 -13.677 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.162 8.212 -13.989 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.436 7.012 -14.092 1.00 0.00 H new ATOM 0 HG SER A 51 8.583 7.569 -16.189 1.00 0.00 H new ATOM 785 N VAL A 52 9.021 5.965 -11.479 1.00 0.00 N ATOM 786 CA VAL A 52 9.416 6.123 -10.077 1.00 0.00 C ATOM 787 C VAL A 52 9.435 7.603 -9.663 1.00 0.00 C ATOM 788 O VAL A 52 9.015 7.953 -8.560 1.00 0.00 O ATOM 789 CB VAL A 52 10.805 5.481 -9.852 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.501 6.104 -8.632 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.641 3.971 -9.618 1.00 0.00 C ATOM 0 H VAL A 52 9.694 5.461 -12.056 1.00 0.00 H new ATOM 0 HA VAL A 52 8.679 5.617 -9.454 1.00 0.00 H new ATOM 0 HB VAL A 52 11.415 5.660 -10.737 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.476 5.638 -8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.630 7.174 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.891 5.943 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.620 3.519 -9.460 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.018 3.805 -8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.169 3.517 -10.489 1.00 0.00 H new ATOM 801 N THR A 53 9.955 8.455 -10.536 1.00 0.00 N ATOM 802 CA THR A 53 10.058 9.884 -10.239 1.00 0.00 C ATOM 803 C THR A 53 8.698 10.506 -9.910 1.00 0.00 C ATOM 804 O THR A 53 8.632 11.518 -9.230 1.00 0.00 O ATOM 805 CB THR A 53 10.685 10.608 -11.442 1.00 0.00 C ATOM 806 OG1 THR A 53 12.086 10.371 -11.454 1.00 0.00 O ATOM 807 CG2 THR A 53 10.426 12.116 -11.353 1.00 0.00 C ATOM 0 H THR A 53 10.312 8.187 -11.453 1.00 0.00 H new ATOM 0 HA THR A 53 10.688 9.998 -9.357 1.00 0.00 H new ATOM 0 HB THR A 53 10.234 10.227 -12.358 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.489 10.830 -12.221 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.876 12.614 -12.212 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.352 12.301 -11.348 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.866 12.507 -10.435 1.00 0.00 H new ATOM 815 N ASP A 54 7.626 9.921 -10.403 1.00 0.00 N ATOM 816 CA ASP A 54 6.298 10.466 -10.150 1.00 0.00 C ATOM 817 C ASP A 54 5.855 10.182 -8.716 1.00 0.00 C ATOM 818 O ASP A 54 5.094 10.946 -8.123 1.00 0.00 O ATOM 819 CB ASP A 54 5.293 9.849 -11.116 1.00 0.00 C ATOM 820 CG ASP A 54 3.918 10.472 -10.901 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.191 9.978 -10.054 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.611 11.434 -11.586 1.00 0.00 O ATOM 0 H ASP A 54 7.641 9.077 -10.976 1.00 0.00 H new ATOM 0 HA ASP A 54 6.341 11.545 -10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.618 10.009 -12.144 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.242 8.771 -10.962 1.00 0.00 H new ATOM 827 N LEU A 55 6.300 9.052 -8.188 1.00 0.00 N ATOM 828 CA LEU A 55 5.918 8.632 -6.840 1.00 0.00 C ATOM 829 C LEU A 55 6.429 9.590 -5.761 1.00 0.00 C ATOM 830 O LEU A 55 5.634 10.219 -5.065 1.00 0.00 O ATOM 831 CB LEU A 55 6.453 7.222 -6.549 1.00 0.00 C ATOM 832 CG LEU A 55 5.741 6.176 -7.428 1.00 0.00 C ATOM 833 CD1 LEU A 55 6.011 6.461 -8.907 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.273 4.780 -7.070 1.00 0.00 C ATOM 0 H LEU A 55 6.926 8.406 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 55 4.828 8.638 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.527 7.190 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.304 6.981 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 55 4.667 6.224 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.503 5.716 -9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.639 7.454 -9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.084 6.417 -9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.775 4.032 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.347 4.743 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.074 4.574 -6.018 1.00 0.00 H new ATOM 846 N LYS A 56 7.752 9.676 -5.598 1.00 0.00 N ATOM 847 CA LYS A 56 8.330 10.539 -4.559 1.00 0.00 C ATOM 848 C LYS A 56 7.810 11.973 -4.630 1.00 0.00 C ATOM 849 O LYS A 56 7.600 12.613 -3.600 1.00 0.00 O ATOM 850 CB LYS A 56 9.857 10.561 -4.665 1.00 0.00 C ATOM 851 CG LYS A 56 10.430 11.501 -3.593 1.00 0.00 C ATOM 852 CD LYS A 56 11.885 11.132 -3.289 1.00 0.00 C ATOM 853 CE LYS A 56 12.686 11.080 -4.590 1.00 0.00 C ATOM 854 NZ LYS A 56 14.142 11.138 -4.278 1.00 0.00 N ATOM 0 H LYS A 56 8.435 9.169 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 56 8.024 10.114 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.256 9.555 -4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.159 10.896 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.373 12.534 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.833 11.434 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.322 11.865 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.928 10.166 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.456 10.165 -5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.408 11.914 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.690 11.018 -5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.369 12.059 -3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.385 10.378 -3.611 1.00 0.00 H new ATOM 868 N ILE A 57 7.611 12.478 -5.836 1.00 0.00 N ATOM 869 CA ILE A 57 7.123 13.842 -6.005 1.00 0.00 C ATOM 870 C ILE A 57 5.615 13.877 -5.779 1.00 0.00 C ATOM 871 O ILE A 57 5.031 14.935 -5.552 1.00 0.00 O ATOM 872 CB ILE A 57 7.483 14.358 -7.408 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.602 13.670 -8.460 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.958 14.035 -7.677 1.00 0.00 C ATOM 875 CD1 ILE A 57 7.028 14.085 -9.873 1.00 0.00 C ATOM 0 H ILE A 57 7.777 11.972 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 57 7.598 14.494 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 57 7.317 15.434 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.677 12.588 -8.354 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.557 13.934 -8.297 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.234 14.393 -8.669 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.580 14.525 -6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.110 12.957 -7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.392 13.587 -10.606 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.929 15.165 -9.980 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.066 13.798 -10.039 1.00 0.00 H new ATOM 887 N GLY A 58 4.993 12.704 -5.856 1.00 0.00 N ATOM 888 CA GLY A 58 3.553 12.590 -5.669 1.00 0.00 C ATOM 889 C GLY A 58 3.146 12.950 -4.242 1.00 0.00 C ATOM 890 O GLY A 58 2.143 13.633 -4.032 1.00 0.00 O ATOM 0 H GLY A 58 5.465 11.820 -6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.040 13.247 -6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.235 11.572 -5.894 1.00 0.00 H new ATOM 894 N LEU A 59 3.923 12.491 -3.263 1.00 0.00 N ATOM 895 CA LEU A 59 3.613 12.782 -1.867 1.00 0.00 C ATOM 896 C LEU A 59 3.938 14.234 -1.553 1.00 0.00 C ATOM 897 O LEU A 59 3.063 14.991 -1.131 1.00 0.00 O ATOM 898 CB LEU A 59 4.395 11.855 -0.921 1.00 0.00 C ATOM 899 CG LEU A 59 4.089 10.369 -1.213 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.571 10.127 -1.231 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.696 9.944 -2.565 1.00 0.00 C ATOM 0 H LEU A 59 4.759 11.925 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 59 2.548 12.608 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.464 12.037 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.137 12.085 0.113 1.00 0.00 H new ATOM 0 HG LEU A 59 4.537 9.770 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.373 9.075 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.149 10.392 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.114 10.742 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.469 8.894 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.272 10.554 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.777 10.082 -2.538 1.00 0.00 H new ATOM 913 N ALA A 60 5.185 14.637 -1.774 1.00 0.00 N ATOM 914 CA ALA A 60 5.566 16.017 -1.519 1.00 0.00 C ATOM 915 C ALA A 60 4.824 16.925 -2.485 1.00 0.00 C ATOM 916 O ALA A 60 4.387 18.017 -2.123 1.00 0.00 O ATOM 917 CB ALA A 60 7.073 16.200 -1.700 1.00 0.00 C ATOM 0 H ALA A 60 5.934 14.039 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 60 5.306 16.273 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.339 17.239 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.605 15.552 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.351 15.940 -2.721 1.00 0.00 H new ATOM 923 N GLY A 61 4.673 16.452 -3.723 1.00 0.00 N ATOM 924 CA GLY A 61 3.967 17.214 -4.754 1.00 0.00 C ATOM 925 C GLY A 61 4.935 17.827 -5.757 1.00 0.00 C ATOM 926 O GLY A 61 4.617 17.944 -6.941 1.00 0.00 O ATOM 0 H GLY A 61 5.029 15.548 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.267 16.561 -5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.379 18.003 -4.286 1.00 0.00 H new ATOM 930 N SER A 62 6.117 18.230 -5.286 1.00 0.00 N ATOM 931 CA SER A 62 7.116 18.841 -6.168 1.00 0.00 C ATOM 932 C SER A 62 8.511 18.309 -5.879 1.00 0.00 C ATOM 933 O SER A 62 8.962 18.297 -4.735 1.00 0.00 O ATOM 934 CB SER A 62 7.107 20.360 -5.997 1.00 0.00 C ATOM 935 OG SER A 62 7.970 20.944 -6.963 1.00 0.00 O ATOM 0 H SER A 62 6.405 18.146 -4.311 1.00 0.00 H new ATOM 0 HA SER A 62 6.855 18.583 -7.194 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.094 20.745 -6.116 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.433 20.627 -4.992 1.00 0.00 H new ATOM 0 HG SER A 62 8.173 21.867 -6.705 1.00 0.00 H new ATOM 941 N GLU A 63 9.186 17.881 -6.939 1.00 0.00 N ATOM 942 CA GLU A 63 10.533 17.352 -6.826 1.00 0.00 C ATOM 943 C GLU A 63 11.477 18.390 -6.226 1.00 0.00 C ATOM 944 O GLU A 63 12.672 18.139 -6.070 1.00 0.00 O ATOM 945 CB GLU A 63 11.037 16.924 -8.211 1.00 0.00 C ATOM 946 CG GLU A 63 12.167 15.899 -8.069 1.00 0.00 C ATOM 947 CD GLU A 63 12.622 15.433 -9.447 1.00 0.00 C ATOM 948 OE1 GLU A 63 11.765 15.122 -10.258 1.00 0.00 O ATOM 949 OE2 GLU A 63 13.820 15.394 -9.671 1.00 0.00 O ATOM 0 H GLU A 63 8.817 17.892 -7.890 1.00 0.00 H new ATOM 0 HA GLU A 63 10.511 16.487 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.218 16.495 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.393 17.795 -8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.005 16.341 -7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.825 15.047 -7.482 1.00 0.00 H new ATOM 956 N GLU A 64 10.938 19.552 -5.879 1.00 0.00 N ATOM 957 CA GLU A 64 11.747 20.608 -5.289 1.00 0.00 C ATOM 958 C GLU A 64 11.915 20.387 -3.788 1.00 0.00 C ATOM 959 O GLU A 64 13.021 20.496 -3.259 1.00 0.00 O ATOM 960 CB GLU A 64 11.088 21.968 -5.531 1.00 0.00 C ATOM 961 CG GLU A 64 10.962 22.217 -7.035 1.00 0.00 C ATOM 962 CD GLU A 64 10.515 23.652 -7.287 1.00 0.00 C ATOM 963 OE1 GLU A 64 9.324 23.903 -7.209 1.00 0.00 O ATOM 964 OE2 GLU A 64 11.371 24.480 -7.554 1.00 0.00 O ATOM 0 H GLU A 64 9.952 19.785 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 64 12.730 20.588 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.103 21.995 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.681 22.758 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.919 22.034 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.244 21.521 -7.469 1.00 0.00 H new ATOM 971 N ASP A 65 10.807 20.108 -3.098 1.00 0.00 N ATOM 972 CA ASP A 65 10.840 19.911 -1.648 1.00 0.00 C ATOM 973 C ASP A 65 11.013 18.442 -1.249 1.00 0.00 C ATOM 974 O ASP A 65 11.196 18.148 -0.069 1.00 0.00 O ATOM 975 CB ASP A 65 9.542 20.442 -1.036 1.00 0.00 C ATOM 976 CG ASP A 65 9.479 21.959 -1.185 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.268 22.631 -0.542 1.00 0.00 O ATOM 978 OD2 ASP A 65 8.641 22.426 -1.939 1.00 0.00 O ATOM 0 H ASP A 65 9.882 20.014 -3.517 1.00 0.00 H new ATOM 0 HA ASP A 65 11.705 20.456 -1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.684 19.984 -1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.489 20.169 0.018 1.00 0.00 H new ATOM 983 N VAL A 66 10.961 17.516 -2.204 1.00 0.00 N ATOM 984 CA VAL A 66 11.125 16.107 -1.846 1.00 0.00 C ATOM 985 C VAL A 66 12.438 15.912 -1.102 1.00 0.00 C ATOM 986 O VAL A 66 12.647 14.899 -0.434 1.00 0.00 O ATOM 987 CB VAL A 66 11.112 15.202 -3.078 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.717 15.171 -3.694 1.00 0.00 C ATOM 989 CG2 VAL A 66 12.092 15.721 -4.119 1.00 0.00 C ATOM 0 H VAL A 66 10.812 17.703 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 66 10.284 15.832 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 66 11.400 14.198 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.721 14.523 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.005 14.788 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.427 16.179 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.075 15.069 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.808 16.731 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.097 15.736 -3.697 1.00 0.00 H new ATOM 999 N ASP A 67 13.322 16.892 -1.233 1.00 0.00 N ATOM 1000 CA ASP A 67 14.626 16.837 -0.582 1.00 0.00 C ATOM 1001 C ASP A 67 14.487 16.573 0.918 1.00 0.00 C ATOM 1002 O ASP A 67 15.359 15.951 1.526 1.00 0.00 O ATOM 1003 CB ASP A 67 15.369 18.161 -0.798 1.00 0.00 C ATOM 1004 CG ASP A 67 15.879 18.250 -2.232 1.00 0.00 C ATOM 1005 OD1 ASP A 67 15.611 17.335 -2.993 1.00 0.00 O ATOM 1006 OD2 ASP A 67 16.532 19.231 -2.549 1.00 0.00 O ATOM 0 H ASP A 67 13.161 17.735 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 67 15.190 16.016 -1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.704 18.998 -0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.204 18.236 -0.102 1.00 0.00 H new ATOM 1011 N MET A 68 13.399 17.061 1.519 1.00 0.00 N ATOM 1012 CA MET A 68 13.176 16.879 2.960 1.00 0.00 C ATOM 1013 C MET A 68 12.193 15.739 3.239 1.00 0.00 C ATOM 1014 O MET A 68 12.174 15.192 4.342 1.00 0.00 O ATOM 1015 CB MET A 68 12.646 18.183 3.572 1.00 0.00 C ATOM 1016 CG MET A 68 11.595 18.798 2.646 1.00 0.00 C ATOM 1017 SD MET A 68 10.661 20.062 3.551 1.00 0.00 S ATOM 1018 CE MET A 68 9.206 19.058 3.942 1.00 0.00 C ATOM 0 H MET A 68 12.664 17.580 1.038 1.00 0.00 H new ATOM 0 HA MET A 68 14.131 16.618 3.417 1.00 0.00 H new ATOM 0 HB2 MET A 68 12.211 17.986 4.552 1.00 0.00 H new ATOM 0 HB3 MET A 68 13.466 18.885 3.723 1.00 0.00 H new ATOM 0 HG2 MET A 68 12.077 19.241 1.774 1.00 0.00 H new ATOM 0 HG3 MET A 68 10.920 18.025 2.279 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.492 19.657 4.508 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.741 18.716 3.017 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.508 18.196 4.536 1.00 0.00 H new ATOM 1028 N LEU A 69 11.379 15.382 2.249 1.00 0.00 N ATOM 1029 CA LEU A 69 10.410 14.302 2.437 1.00 0.00 C ATOM 1030 C LEU A 69 11.108 13.052 2.971 1.00 0.00 C ATOM 1031 O LEU A 69 12.058 12.554 2.368 1.00 0.00 O ATOM 1032 CB LEU A 69 9.708 13.983 1.110 1.00 0.00 C ATOM 1033 CG LEU A 69 8.556 12.981 1.338 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.399 13.652 2.102 1.00 0.00 C ATOM 1035 CD2 LEU A 69 8.044 12.461 -0.017 1.00 0.00 C ATOM 0 H LEU A 69 11.368 15.814 1.325 1.00 0.00 H new ATOM 0 HA LEU A 69 9.664 14.626 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.319 14.900 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.425 13.567 0.402 1.00 0.00 H new ATOM 0 HG LEU A 69 8.933 12.148 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.596 12.930 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.758 14.004 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.023 14.497 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.231 11.754 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.682 13.298 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.856 11.963 -0.546 1.00 0.00 H new ATOM 1047 N ASP A 70 10.629 12.554 4.108 1.00 0.00 N ATOM 1048 CA ASP A 70 11.211 11.363 4.727 1.00 0.00 C ATOM 1049 C ASP A 70 11.554 10.309 3.675 1.00 0.00 C ATOM 1050 O ASP A 70 12.406 9.449 3.898 1.00 0.00 O ATOM 1051 CB ASP A 70 10.226 10.773 5.739 1.00 0.00 C ATOM 1052 CG ASP A 70 9.826 11.836 6.757 1.00 0.00 C ATOM 1053 OD1 ASP A 70 10.268 12.964 6.610 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.084 11.508 7.667 1.00 0.00 O ATOM 0 H ASP A 70 9.842 12.954 4.619 1.00 0.00 H new ATOM 0 HA ASP A 70 12.130 11.657 5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.341 10.400 5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.680 9.923 6.248 1.00 0.00 H new ATOM 1059 N THR A 71 10.885 10.385 2.531 1.00 0.00 N ATOM 1060 CA THR A 71 11.121 9.439 1.449 1.00 0.00 C ATOM 1061 C THR A 71 12.455 9.762 0.750 1.00 0.00 C ATOM 1062 O THR A 71 12.603 10.849 0.192 1.00 0.00 O ATOM 1063 CB THR A 71 9.971 9.526 0.434 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.745 9.720 1.126 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.889 8.240 -0.389 1.00 0.00 C ATOM 0 H THR A 71 10.176 11.090 2.329 1.00 0.00 H new ATOM 0 HA THR A 71 11.170 8.430 1.858 1.00 0.00 H new ATOM 0 HB THR A 71 10.156 10.365 -0.237 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.997 9.618 0.501 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.070 8.317 -1.104 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.826 8.091 -0.926 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.713 7.394 0.275 1.00 0.00 H new ATOM 1073 N PRO A 72 13.425 8.869 0.764 1.00 0.00 N ATOM 1074 CA PRO A 72 14.742 9.125 0.110 1.00 0.00 C ATOM 1075 C PRO A 72 14.675 8.913 -1.404 1.00 0.00 C ATOM 1076 O PRO A 72 14.133 9.747 -2.128 1.00 0.00 O ATOM 1077 CB PRO A 72 15.662 8.108 0.793 1.00 0.00 C ATOM 1078 CG PRO A 72 14.772 6.938 1.071 1.00 0.00 C ATOM 1079 CD PRO A 72 13.393 7.528 1.387 1.00 0.00 C ATOM 0 HA PRO A 72 15.086 10.153 0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.496 7.830 0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.089 8.511 1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.724 6.270 0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.148 6.351 1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.592 6.915 0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.223 7.591 2.462 1.00 0.00 H new ATOM 1087 N MET A 73 15.222 7.795 -1.877 1.00 0.00 N ATOM 1088 CA MET A 73 15.212 7.490 -3.307 1.00 0.00 C ATOM 1089 C MET A 73 15.282 5.981 -3.546 1.00 0.00 C ATOM 1090 O MET A 73 15.320 5.532 -4.689 1.00 0.00 O ATOM 1091 CB MET A 73 16.403 8.176 -3.990 1.00 0.00 C ATOM 1092 CG MET A 73 16.166 8.278 -5.502 1.00 0.00 C ATOM 1093 SD MET A 73 17.437 9.335 -6.238 1.00 0.00 S ATOM 1094 CE MET A 73 18.869 8.328 -5.777 1.00 0.00 C ATOM 0 H MET A 73 15.675 7.089 -1.296 1.00 0.00 H new ATOM 0 HA MET A 73 14.280 7.863 -3.731 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.547 9.171 -3.570 1.00 0.00 H new ATOM 0 HB3 MET A 73 17.316 7.613 -3.796 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.195 7.286 -5.954 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.176 8.689 -5.699 1.00 0.00 H new ATOM 0 HE1 MET A 73 19.705 8.560 -6.437 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.149 8.545 -4.746 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.616 7.272 -5.870 1.00 0.00 H new ATOM 1104 N SER A 74 15.302 5.203 -2.463 1.00 0.00 N ATOM 1105 CA SER A 74 15.368 3.744 -2.561 1.00 0.00 C ATOM 1106 C SER A 74 14.030 3.129 -2.167 1.00 0.00 C ATOM 1107 O SER A 74 13.745 1.977 -2.495 1.00 0.00 O ATOM 1108 CB SER A 74 16.466 3.213 -1.640 1.00 0.00 C ATOM 1109 OG SER A 74 17.673 3.921 -1.891 1.00 0.00 O ATOM 0 H SER A 74 15.273 5.559 -1.507 1.00 0.00 H new ATOM 0 HA SER A 74 15.595 3.471 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.171 3.332 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.615 2.147 -1.809 1.00 0.00 H new ATOM 0 HG SER A 74 18.379 3.584 -1.301 1.00 0.00 H new ATOM 1115 N ALA A 75 13.211 3.906 -1.461 1.00 0.00 N ATOM 1116 CA ALA A 75 11.905 3.430 -1.026 1.00 0.00 C ATOM 1117 C ALA A 75 10.955 3.314 -2.210 1.00 0.00 C ATOM 1118 O ALA A 75 10.115 2.417 -2.252 1.00 0.00 O ATOM 1119 CB ALA A 75 11.332 4.388 0.015 1.00 0.00 C ATOM 0 H ALA A 75 13.429 4.862 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 75 12.021 2.441 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.355 4.031 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.003 4.438 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.228 5.381 -0.422 1.00 0.00 H new ATOM 1125 N LEU A 76 11.093 4.209 -3.183 1.00 0.00 N ATOM 1126 CA LEU A 76 10.231 4.141 -4.352 1.00 0.00 C ATOM 1127 C LEU A 76 10.512 2.840 -5.088 1.00 0.00 C ATOM 1128 O LEU A 76 9.593 2.118 -5.474 1.00 0.00 O ATOM 1129 CB LEU A 76 10.463 5.310 -5.315 1.00 0.00 C ATOM 1130 CG LEU A 76 10.445 6.669 -4.589 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.273 6.727 -3.606 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.773 6.930 -3.838 1.00 0.00 C ATOM 0 H LEU A 76 11.774 4.969 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 76 9.198 4.192 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.421 5.180 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.694 5.301 -6.087 1.00 0.00 H new ATOM 0 HG LEU A 76 10.325 7.446 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.271 7.692 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.336 6.600 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.376 5.930 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.724 7.897 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.932 6.146 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.599 6.931 -4.549 1.00 0.00 H new ATOM 1144 N LYS A 77 11.797 2.542 -5.265 1.00 0.00 N ATOM 1145 CA LYS A 77 12.195 1.319 -5.943 1.00 0.00 C ATOM 1146 C LYS A 77 11.576 0.124 -5.233 1.00 0.00 C ATOM 1147 O LYS A 77 11.149 -0.841 -5.866 1.00 0.00 O ATOM 1148 CB LYS A 77 13.721 1.173 -5.944 1.00 0.00 C ATOM 1149 CG LYS A 77 14.334 2.160 -6.942 1.00 0.00 C ATOM 1150 CD LYS A 77 14.069 3.599 -6.480 1.00 0.00 C ATOM 1151 CE LYS A 77 15.090 4.548 -7.115 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.203 4.251 -8.571 1.00 0.00 N ATOM 0 H LYS A 77 12.571 3.127 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 77 11.846 1.363 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.114 1.360 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.998 0.153 -6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.407 1.987 -7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.907 2.002 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.059 3.899 -6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.131 3.658 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.782 5.583 -6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.060 4.432 -6.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.642 5.059 -9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.790 3.403 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.256 4.083 -8.966 1.00 0.00 H new ATOM 1166 N ASP A 78 11.523 0.207 -3.904 1.00 0.00 N ATOM 1167 CA ASP A 78 10.947 -0.859 -3.106 1.00 0.00 C ATOM 1168 C ASP A 78 9.450 -0.948 -3.383 1.00 0.00 C ATOM 1169 O ASP A 78 8.942 -1.998 -3.773 1.00 0.00 O ATOM 1170 CB ASP A 78 11.203 -0.585 -1.615 1.00 0.00 C ATOM 1171 CG ASP A 78 12.629 -0.979 -1.244 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.000 -2.110 -1.516 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.330 -0.147 -0.693 1.00 0.00 O ATOM 0 H ASP A 78 11.872 1.000 -3.365 1.00 0.00 H new ATOM 0 HA ASP A 78 11.412 -1.809 -3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.042 0.471 -1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.493 -1.146 -1.008 1.00 0.00 H new ATOM 1178 N ALA A 79 8.748 0.160 -3.171 1.00 0.00 N ATOM 1179 CA ALA A 79 7.309 0.204 -3.391 1.00 0.00 C ATOM 1180 C ALA A 79 6.955 -0.023 -4.862 1.00 0.00 C ATOM 1181 O ALA A 79 6.288 -1.003 -5.196 1.00 0.00 O ATOM 1182 CB ALA A 79 6.770 1.561 -2.942 1.00 0.00 C ATOM 0 H ALA A 79 9.153 1.039 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 79 6.853 -0.597 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.693 1.597 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.981 1.704 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.251 2.352 -3.517 1.00 0.00 H new ATOM 1188 N VAL A 80 7.380 0.901 -5.731 1.00 0.00 N ATOM 1189 CA VAL A 80 7.082 0.810 -7.167 1.00 0.00 C ATOM 1190 C VAL A 80 7.076 -0.642 -7.645 1.00 0.00 C ATOM 1191 O VAL A 80 6.389 -0.993 -8.604 1.00 0.00 O ATOM 1192 CB VAL A 80 8.093 1.634 -7.970 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.369 0.824 -8.218 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.478 2.030 -9.316 1.00 0.00 C ATOM 0 H VAL A 80 7.930 1.719 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 80 6.084 1.217 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 80 8.346 2.528 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.076 1.425 -8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.816 0.548 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.124 -0.079 -8.778 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.198 2.616 -9.887 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.217 1.132 -9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.580 2.624 -9.145 1.00 0.00 H new ATOM 1204 N ARG A 81 7.848 -1.475 -6.962 1.00 0.00 N ATOM 1205 CA ARG A 81 7.932 -2.888 -7.308 1.00 0.00 C ATOM 1206 C ARG A 81 6.680 -3.616 -6.842 1.00 0.00 C ATOM 1207 O ARG A 81 5.972 -4.244 -7.628 1.00 0.00 O ATOM 1208 CB ARG A 81 9.153 -3.523 -6.637 1.00 0.00 C ATOM 1209 CG ARG A 81 9.317 -4.971 -7.116 1.00 0.00 C ATOM 1210 CD ARG A 81 10.455 -5.634 -6.342 1.00 0.00 C ATOM 1211 NE ARG A 81 11.736 -5.099 -6.783 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.226 -5.392 -7.983 1.00 0.00 C ATOM 1213 NH1 ARG A 81 11.559 -6.176 -8.786 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.371 -4.894 -8.357 1.00 0.00 N ATOM 0 H ARG A 81 8.424 -1.199 -6.167 1.00 0.00 H new ATOM 0 HA ARG A 81 8.024 -2.972 -8.391 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.049 -2.949 -6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.037 -3.500 -5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.389 -5.523 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.529 -4.991 -8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.328 -5.461 -5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.430 -6.713 -6.496 1.00 0.00 H new ATOM 0 HE ARG A 81 12.266 -4.489 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.662 -6.563 -8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.935 -6.401 -9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.890 -4.280 -7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.748 -5.118 -9.278 1.00 0.00 H new ATOM 1228 N ILE A 82 6.448 -3.545 -5.542 1.00 0.00 N ATOM 1229 CA ILE A 82 5.317 -4.215 -4.923 1.00 0.00 C ATOM 1230 C ILE A 82 4.007 -4.007 -5.701 1.00 0.00 C ATOM 1231 O ILE A 82 3.240 -4.956 -5.859 1.00 0.00 O ATOM 1232 CB ILE A 82 5.189 -3.743 -3.465 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.278 -4.417 -2.621 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.814 -4.115 -2.906 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.358 -3.746 -1.252 1.00 0.00 C ATOM 0 H ILE A 82 7.034 -3.025 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 82 5.503 -5.289 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 82 5.304 -2.660 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.056 -5.478 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.240 -4.346 -3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.737 -3.775 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.037 -3.638 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.687 -5.197 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.133 -4.228 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.600 -2.691 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.398 -3.840 -0.744 1.00 0.00 H new ATOM 1247 N LEU A 83 3.736 -2.794 -6.195 1.00 0.00 N ATOM 1248 CA LEU A 83 2.488 -2.589 -6.949 1.00 0.00 C ATOM 1249 C LEU A 83 2.661 -3.102 -8.376 1.00 0.00 C ATOM 1250 O LEU A 83 1.711 -3.595 -8.983 1.00 0.00 O ATOM 1251 CB LEU A 83 1.998 -1.104 -6.993 1.00 0.00 C ATOM 1252 CG LEU A 83 2.685 -0.204 -5.948 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.819 -0.897 -4.581 1.00 0.00 C ATOM 1254 CD2 LEU A 83 4.038 0.233 -6.472 1.00 0.00 C ATOM 0 H LEU A 83 4.331 -1.972 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 83 1.721 -3.150 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.180 -0.698 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.920 -1.079 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 83 2.057 0.673 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.309 -0.223 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.829 -1.156 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.414 -1.804 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.526 0.870 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.657 -0.645 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.906 0.789 -7.400 1.00 0.00 H new ATOM 1266 N TRP A 84 3.874 -2.985 -8.910 1.00 0.00 N ATOM 1267 CA TRP A 84 4.129 -3.449 -10.273 1.00 0.00 C ATOM 1268 C TRP A 84 3.608 -4.880 -10.442 1.00 0.00 C ATOM 1269 O TRP A 84 3.353 -5.329 -11.560 1.00 0.00 O ATOM 1270 CB TRP A 84 5.649 -3.384 -10.570 1.00 0.00 C ATOM 1271 CG TRP A 84 5.953 -2.386 -11.649 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.752 -2.618 -12.714 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.486 -1.014 -11.779 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.806 -1.475 -13.491 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.042 -0.458 -12.956 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.641 -0.203 -10.999 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.772 0.854 -13.345 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.366 1.117 -11.389 1.00 0.00 C ATOM 1279 CH2 TRP A 84 4.931 1.644 -12.559 1.00 0.00 C ATOM 0 H TRP A 84 4.681 -2.582 -8.433 1.00 0.00 H new ATOM 0 HA TRP A 84 3.606 -2.805 -10.980 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.188 -3.115 -9.661 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.005 -4.369 -10.872 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.265 -3.545 -12.924 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.344 -1.394 -14.354 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.202 -0.598 -10.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.210 1.255 -14.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 3.715 1.731 -10.784 1.00 0.00 H new ATOM 0 HH2 TRP A 84 4.716 2.661 -12.852 1.00 0.00 H new ATOM 1290 N GLY A 85 3.455 -5.587 -9.324 1.00 0.00 N ATOM 1291 CA GLY A 85 2.970 -6.965 -9.355 1.00 0.00 C ATOM 1292 C GLY A 85 4.128 -7.947 -9.492 1.00 0.00 C ATOM 1293 O GLY A 85 3.930 -9.109 -9.849 1.00 0.00 O ATOM 0 H GLY A 85 3.659 -5.231 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.413 -7.179 -8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.279 -7.093 -10.188 1.00 0.00 H new ATOM 1297 N GLU A 86 5.341 -7.473 -9.202 1.00 0.00 N ATOM 1298 CA GLU A 86 6.540 -8.313 -9.290 1.00 0.00 C ATOM 1299 C GLU A 86 7.127 -8.549 -7.901 1.00 0.00 C ATOM 1300 O GLU A 86 8.170 -9.189 -7.764 1.00 0.00 O ATOM 1301 CB GLU A 86 7.586 -7.636 -10.180 1.00 0.00 C ATOM 1302 CG GLU A 86 7.158 -7.742 -11.646 1.00 0.00 C ATOM 1303 CD GLU A 86 7.996 -6.802 -12.504 1.00 0.00 C ATOM 1304 OE1 GLU A 86 9.066 -6.420 -12.059 1.00 0.00 O ATOM 1305 OE2 GLU A 86 7.556 -6.477 -13.595 1.00 0.00 O ATOM 0 H GLU A 86 5.520 -6.514 -8.905 1.00 0.00 H new ATOM 0 HA GLU A 86 6.261 -9.273 -9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.696 -6.589 -9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.558 -8.108 -10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.276 -8.768 -11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.102 -7.492 -11.744 1.00 0.00 H new ATOM 1312 N ALA A 87 6.448 -8.020 -6.880 1.00 0.00 N ATOM 1313 CA ALA A 87 6.892 -8.161 -5.489 1.00 0.00 C ATOM 1314 C ALA A 87 7.627 -9.487 -5.256 1.00 0.00 C ATOM 1315 O ALA A 87 8.568 -9.553 -4.464 1.00 0.00 O ATOM 1316 CB ALA A 87 5.671 -8.071 -4.558 1.00 0.00 C ATOM 0 H ALA A 87 5.585 -7.488 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 87 7.593 -7.355 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.995 -8.175 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.183 -7.105 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.969 -8.869 -4.801 1.00 0.00 H new ATOM 1322 N GLU A 88 7.189 -10.537 -5.944 1.00 0.00 N ATOM 1323 CA GLU A 88 7.812 -11.848 -5.794 1.00 0.00 C ATOM 1324 C GLU A 88 9.299 -11.783 -6.146 1.00 0.00 C ATOM 1325 O GLU A 88 10.104 -11.262 -5.376 1.00 0.00 O ATOM 1326 CB GLU A 88 7.102 -12.869 -6.694 1.00 0.00 C ATOM 1327 CG GLU A 88 6.757 -12.219 -8.036 1.00 0.00 C ATOM 1328 CD GLU A 88 6.417 -13.294 -9.062 1.00 0.00 C ATOM 1329 OE1 GLU A 88 5.759 -14.252 -8.691 1.00 0.00 O ATOM 1330 OE2 GLU A 88 6.820 -13.143 -10.204 1.00 0.00 O ATOM 0 H GLU A 88 6.413 -10.507 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 88 7.718 -12.160 -4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.743 -13.736 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.195 -13.228 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.913 -11.540 -7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.598 -11.622 -8.388 1.00 0.00 H new