USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 420 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 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 MET CE :methyl -110:sc= -0.0179 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -140:sc= -0.293 USER MOD Single : A 22 GLN : amide:sc= -15.2! C(o=-15!,f=-7.4!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.315 X(o=-0.32,f=0) USER MOD Single : A 31 TYR OH : rot -75:sc= 1.12 USER MOD Single : A 41 GLN : amide:sc= -0.877 K(o=-0.88,f=0.87) USER MOD Single : A 46 THR OG1 : rot -27:sc= -11.5! USER MOD Single : A 52 MET CE :methyl 165:sc= -0.103 (180deg=-0.418) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-5.2!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 149:sc= -0.392 (180deg=-1.26!) USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -1 (180deg=-1.55!) USER MOD Single : A 75 MET CE :methyl 163:sc= 0 (180deg=-0.533) USER MOD ----------------------------------------------------------------- ATOM 215 N PRO A 18 12.598 -5.356 -2.071 1.00 0.00 N ATOM 216 CA PRO A 18 11.966 -4.457 -3.042 1.00 0.00 C ATOM 217 C PRO A 18 10.625 -3.921 -2.548 1.00 0.00 C ATOM 218 O PRO A 18 10.055 -4.441 -1.589 1.00 0.00 O ATOM 219 CB PRO A 18 11.767 -5.344 -4.274 1.00 0.00 C ATOM 220 CG PRO A 18 12.813 -6.396 -4.154 1.00 0.00 C ATOM 221 CD PRO A 18 12.986 -6.643 -2.682 1.00 0.00 C ATOM 0 HA PRO A 18 12.573 -3.572 -3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.768 -5.779 -4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.883 -4.774 -5.196 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.510 -7.307 -4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.749 -6.069 -4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.353 -7.460 -2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.014 -6.910 -2.437 1.00 0.00 H new ATOM 229 N PRO A 19 10.100 -2.871 -3.202 1.00 0.00 N ATOM 230 CA PRO A 19 8.817 -2.264 -2.827 1.00 0.00 C ATOM 231 C PRO A 19 7.659 -3.251 -2.933 1.00 0.00 C ATOM 232 O PRO A 19 6.740 -3.236 -2.114 1.00 0.00 O ATOM 233 CB PRO A 19 8.642 -1.121 -3.834 1.00 0.00 C ATOM 234 CG PRO A 19 9.553 -1.456 -4.966 1.00 0.00 C ATOM 235 CD PRO A 19 10.710 -2.193 -4.357 1.00 0.00 C ATOM 0 HA PRO A 19 8.816 -1.931 -1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.608 -1.046 -4.170 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.903 -0.161 -3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.044 -2.072 -5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.890 -0.554 -5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.149 -2.904 -5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.506 -1.513 -4.052 1.00 0.00 H new ATOM 243 N GLU A 20 7.709 -4.108 -3.949 1.00 0.00 N ATOM 244 CA GLU A 20 6.664 -5.102 -4.163 1.00 0.00 C ATOM 245 C GLU A 20 6.678 -6.153 -3.058 1.00 0.00 C ATOM 246 O GLU A 20 5.626 -6.676 -2.666 1.00 0.00 O ATOM 247 CB GLU A 20 6.842 -5.774 -5.525 1.00 0.00 C ATOM 248 CG GLU A 20 8.167 -6.506 -5.673 1.00 0.00 C ATOM 249 CD GLU A 20 8.356 -7.094 -7.058 1.00 0.00 C ATOM 250 OE1 GLU A 20 8.169 -6.355 -8.047 1.00 0.00 O ATOM 251 OE2 GLU A 20 8.692 -8.293 -7.152 1.00 0.00 O ATOM 0 H GLU A 20 8.462 -4.133 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 20 5.701 -4.591 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.027 -6.480 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.764 -5.018 -6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.984 -5.817 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.222 -7.304 -4.933 1.00 0.00 H new ATOM 258 N THR A 21 7.873 -6.456 -2.551 1.00 0.00 N ATOM 259 CA THR A 21 8.009 -7.446 -1.491 1.00 0.00 C ATOM 260 C THR A 21 7.285 -6.968 -0.249 1.00 0.00 C ATOM 261 O THR A 21 6.476 -7.693 0.331 1.00 0.00 O ATOM 262 CB THR A 21 9.488 -7.698 -1.181 1.00 0.00 C ATOM 263 OG1 THR A 21 10.128 -8.332 -2.275 1.00 0.00 O ATOM 264 CG2 THR A 21 9.709 -8.562 0.042 1.00 0.00 C ATOM 0 H THR A 21 8.750 -6.034 -2.855 1.00 0.00 H new ATOM 0 HA THR A 21 7.564 -8.384 -1.824 1.00 0.00 H new ATOM 0 HB THR A 21 9.913 -6.713 -0.989 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.749 -9.013 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.778 -8.699 0.202 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.271 -8.077 0.914 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.237 -9.533 -0.108 1.00 0.00 H new ATOM 272 N GLN A 22 7.534 -5.725 0.120 1.00 0.00 N ATOM 273 CA GLN A 22 6.849 -5.136 1.256 1.00 0.00 C ATOM 274 C GLN A 22 5.402 -4.942 0.890 1.00 0.00 C ATOM 275 O GLN A 22 4.501 -5.260 1.660 1.00 0.00 O ATOM 276 CB GLN A 22 7.435 -3.778 1.655 1.00 0.00 C ATOM 277 CG GLN A 22 6.493 -2.952 2.539 1.00 0.00 C ATOM 278 CD GLN A 22 5.399 -2.231 1.751 1.00 0.00 C ATOM 279 OE1 GLN A 22 5.678 -1.265 1.040 1.00 0.00 O ATOM 280 NE2 GLN A 22 4.143 -2.695 1.867 1.00 0.00 N ATOM 0 H GLN A 22 8.200 -5.108 -0.346 1.00 0.00 H new ATOM 0 HA GLN A 22 6.967 -5.811 2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.375 -3.936 2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.668 -3.211 0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.028 -3.608 3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.077 -2.216 3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.949 -3.498 2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.384 -2.244 1.356 1.00 0.00 H new ATOM 289 N ARG A 23 5.205 -4.368 -0.298 1.00 0.00 N ATOM 290 CA ARG A 23 3.888 -4.060 -0.814 1.00 0.00 C ATOM 291 C ARG A 23 2.810 -4.869 -0.116 1.00 0.00 C ATOM 292 O ARG A 23 2.274 -4.447 0.903 1.00 0.00 O ATOM 293 CB ARG A 23 3.836 -4.279 -2.327 1.00 0.00 C ATOM 294 CG ARG A 23 2.469 -4.005 -2.919 1.00 0.00 C ATOM 295 CD ARG A 23 1.908 -5.224 -3.635 1.00 0.00 C ATOM 296 NE ARG A 23 1.212 -4.863 -4.868 1.00 0.00 N ATOM 297 CZ ARG A 23 0.511 -5.724 -5.602 1.00 0.00 C ATOM 298 NH1 ARG A 23 0.409 -6.995 -5.231 1.00 0.00 N ATOM 299 NH2 ARG A 23 -0.092 -5.314 -6.710 1.00 0.00 N ATOM 0 H ARG A 23 5.965 -4.106 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 23 3.692 -3.007 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.570 -3.632 -2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.123 -5.307 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.784 -3.702 -2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.536 -3.172 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.719 -5.914 -3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.221 -5.750 -2.972 1.00 0.00 H new ATOM 0 HE ARG A 23 1.267 -3.895 -5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.869 -7.316 -4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.130 -7.650 -5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.018 -4.339 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.629 -5.974 -7.272 1.00 0.00 H new ATOM 313 N MET A 24 2.504 -6.036 -0.644 1.00 0.00 N ATOM 314 CA MET A 24 1.487 -6.870 -0.037 1.00 0.00 C ATOM 315 C MET A 24 1.830 -7.193 1.416 1.00 0.00 C ATOM 316 O MET A 24 0.938 -7.320 2.252 1.00 0.00 O ATOM 317 CB MET A 24 1.292 -8.159 -0.839 1.00 0.00 C ATOM 318 CG MET A 24 0.108 -8.990 -0.374 1.00 0.00 C ATOM 319 SD MET A 24 -1.360 -8.738 -1.390 1.00 0.00 S ATOM 320 CE MET A 24 -2.500 -9.892 -0.631 1.00 0.00 C ATOM 0 H MET A 24 2.938 -6.425 -1.481 1.00 0.00 H new ATOM 0 HA MET A 24 0.552 -6.311 -0.047 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.157 -7.906 -1.891 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.198 -8.761 -0.769 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.381 -10.045 -0.392 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.124 -8.738 0.661 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.457 -9.852 -1.150 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.093 -10.901 -0.696 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.644 -9.626 0.416 1.00 0.00 H new ATOM 330 N MET A 25 3.119 -7.354 1.711 1.00 0.00 N ATOM 331 CA MET A 25 3.543 -7.692 3.068 1.00 0.00 C ATOM 332 C MET A 25 3.051 -6.667 4.095 1.00 0.00 C ATOM 333 O MET A 25 2.431 -7.046 5.090 1.00 0.00 O ATOM 334 CB MET A 25 5.068 -7.796 3.131 1.00 0.00 C ATOM 335 CG MET A 25 5.591 -9.206 2.906 1.00 0.00 C ATOM 336 SD MET A 25 5.008 -10.370 4.153 1.00 0.00 S ATOM 337 CE MET A 25 4.858 -11.864 3.178 1.00 0.00 C ATOM 0 H MET A 25 3.879 -7.257 1.038 1.00 0.00 H new ATOM 0 HA MET A 25 3.097 -8.654 3.319 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.500 -7.133 2.382 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.408 -7.442 4.104 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.281 -9.551 1.920 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.681 -9.190 2.911 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.506 -12.678 3.811 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.147 -11.700 2.368 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.830 -12.125 2.760 1.00 0.00 H new ATOM 347 N LEU A 26 3.288 -5.372 3.859 1.00 0.00 N ATOM 348 CA LEU A 26 2.803 -4.360 4.796 1.00 0.00 C ATOM 349 C LEU A 26 1.289 -4.307 4.724 1.00 0.00 C ATOM 350 O LEU A 26 0.614 -4.379 5.745 1.00 0.00 O ATOM 351 CB LEU A 26 3.406 -2.980 4.525 1.00 0.00 C ATOM 352 CG LEU A 26 3.467 -2.052 5.739 1.00 0.00 C ATOM 353 CD1 LEU A 26 4.587 -2.474 6.678 1.00 0.00 C ATOM 354 CD2 LEU A 26 3.657 -0.608 5.296 1.00 0.00 C ATOM 0 H LEU A 26 3.797 -5.010 3.052 1.00 0.00 H new ATOM 0 HA LEU A 26 3.119 -4.644 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.416 -3.111 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.824 -2.493 3.743 1.00 0.00 H new ATOM 0 HG LEU A 26 2.522 -2.126 6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.615 -1.802 7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.410 -3.493 7.021 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.540 -2.429 6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.698 0.039 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.587 -0.519 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.822 -0.309 4.663 1.00 0.00 H new ATOM 366 N GLY A 27 0.747 -4.230 3.502 1.00 0.00 N ATOM 367 CA GLY A 27 -0.671 -4.221 3.333 1.00 0.00 C ATOM 368 C GLY A 27 -1.278 -5.435 3.993 1.00 0.00 C ATOM 369 O GLY A 27 -2.400 -5.392 4.458 1.00 0.00 O ATOM 0 H GLY A 27 1.283 -4.174 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.091 -3.313 3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.919 -4.212 2.272 1.00 0.00 H new ATOM 373 N GLU A 28 -0.530 -6.513 4.093 1.00 0.00 N ATOM 374 CA GLU A 28 -1.052 -7.685 4.761 1.00 0.00 C ATOM 375 C GLU A 28 -1.477 -7.301 6.177 1.00 0.00 C ATOM 376 O GLU A 28 -2.580 -7.625 6.623 1.00 0.00 O ATOM 377 CB GLU A 28 0.000 -8.797 4.802 1.00 0.00 C ATOM 378 CG GLU A 28 -0.523 -10.145 4.334 1.00 0.00 C ATOM 379 CD GLU A 28 -0.234 -11.259 5.322 1.00 0.00 C ATOM 380 OE1 GLU A 28 0.782 -11.164 6.042 1.00 0.00 O ATOM 381 OE2 GLU A 28 -1.023 -12.225 5.375 1.00 0.00 O ATOM 0 H GLU A 28 0.419 -6.603 3.730 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.914 -8.061 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.846 -8.508 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.374 -8.895 5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.599 -10.077 4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.072 -10.391 3.373 1.00 0.00 H new ATOM 388 N ASN A 29 -0.598 -6.575 6.869 1.00 0.00 N ATOM 389 CA ASN A 29 -0.881 -6.136 8.236 1.00 0.00 C ATOM 390 C ASN A 29 -1.469 -4.728 8.280 1.00 0.00 C ATOM 391 O ASN A 29 -2.489 -4.487 8.934 1.00 0.00 O ATOM 392 CB ASN A 29 0.397 -6.188 9.077 1.00 0.00 C ATOM 393 CG ASN A 29 0.107 -6.249 10.564 1.00 0.00 C ATOM 394 OD1 ASN A 29 -0.106 -7.325 11.123 1.00 0.00 O ATOM 395 ND2 ASN A 29 0.099 -5.090 11.213 1.00 0.00 N ATOM 0 H ASN A 29 0.310 -6.280 6.509 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.625 -6.817 8.648 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.984 -7.060 8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.005 -5.309 8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.089 -5.068 12.215 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.281 -4.222 10.709 1.00 0.00 H new ATOM 402 N LEU A 30 -0.824 -3.794 7.598 1.00 0.00 N ATOM 403 CA LEU A 30 -1.288 -2.417 7.588 1.00 0.00 C ATOM 404 C LEU A 30 -2.460 -2.200 6.620 1.00 0.00 C ATOM 405 O LEU A 30 -3.314 -1.361 6.891 1.00 0.00 O ATOM 406 CB LEU A 30 -0.132 -1.464 7.285 1.00 0.00 C ATOM 407 CG LEU A 30 0.475 -0.779 8.510 1.00 0.00 C ATOM 408 CD1 LEU A 30 -0.561 0.094 9.201 1.00 0.00 C ATOM 409 CD2 LEU A 30 1.032 -1.813 9.476 1.00 0.00 C ATOM 0 H LEU A 30 0.018 -3.964 7.047 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.667 -2.195 8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.653 -2.019 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.484 -0.697 6.595 1.00 0.00 H new ATOM 0 HG LEU A 30 1.294 -0.141 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.111 0.573 10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.914 0.857 8.508 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.401 -0.522 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.460 -1.308 10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.230 -2.476 9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.805 -2.397 8.977 1.00 0.00 H new ATOM 421 N TYR A 31 -2.545 -2.964 5.516 1.00 0.00 N ATOM 422 CA TYR A 31 -3.681 -2.801 4.598 1.00 0.00 C ATOM 423 C TYR A 31 -4.957 -3.045 5.376 1.00 0.00 C ATOM 424 O TYR A 31 -5.873 -2.245 5.306 1.00 0.00 O ATOM 425 CB TYR A 31 -3.614 -3.705 3.354 1.00 0.00 C ATOM 426 CG TYR A 31 -4.963 -4.130 2.813 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.971 -3.203 2.584 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.225 -5.466 2.537 1.00 0.00 C ATOM 429 CE1 TYR A 31 -7.203 -3.597 2.096 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.454 -5.867 2.049 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.438 -4.929 1.831 1.00 0.00 C ATOM 432 OH TYR A 31 -8.663 -5.324 1.344 1.00 0.00 O ATOM 0 H TYR A 31 -1.866 -3.675 5.246 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.650 -1.784 4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.070 -3.180 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.038 -4.597 3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.790 -2.158 2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.455 -6.204 2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.978 -2.865 1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.642 -6.910 1.840 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.324 -5.305 2.067 1.00 0.00 H new ATOM 442 N PRO A 32 -5.031 -4.111 6.199 1.00 0.00 N ATOM 443 CA PRO A 32 -6.211 -4.321 7.010 1.00 0.00 C ATOM 444 C PRO A 32 -6.451 -3.056 7.818 1.00 0.00 C ATOM 445 O PRO A 32 -7.589 -2.687 8.105 1.00 0.00 O ATOM 446 CB PRO A 32 -5.846 -5.483 7.938 1.00 0.00 C ATOM 447 CG PRO A 32 -4.675 -6.148 7.305 1.00 0.00 C ATOM 448 CD PRO A 32 -4.000 -5.125 6.430 1.00 0.00 C ATOM 0 HA PRO A 32 -7.109 -4.540 6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.600 -5.124 8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.680 -6.176 8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.987 -6.519 8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.993 -7.008 6.716 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.125 -4.698 6.919 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.658 -5.566 5.493 1.00 0.00 H new ATOM 456 N LEU A 33 -5.347 -2.369 8.141 1.00 0.00 N ATOM 457 CA LEU A 33 -5.426 -1.120 8.868 1.00 0.00 C ATOM 458 C LEU A 33 -5.913 -0.024 7.930 1.00 0.00 C ATOM 459 O LEU A 33 -6.816 0.738 8.277 1.00 0.00 O ATOM 460 CB LEU A 33 -4.062 -0.749 9.455 1.00 0.00 C ATOM 461 CG LEU A 33 -4.105 -0.160 10.866 1.00 0.00 C ATOM 462 CD1 LEU A 33 -4.126 -1.268 11.908 1.00 0.00 C ATOM 463 CD2 LEU A 33 -2.918 0.765 11.093 1.00 0.00 C ATOM 0 H LEU A 33 -4.399 -2.665 7.907 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.129 -1.231 9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.434 -1.640 9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.581 -0.030 8.792 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.020 0.423 10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.157 -0.829 12.905 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.008 -1.891 11.759 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.229 -1.879 11.808 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.964 1.175 12.102 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.991 0.204 10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.947 1.579 10.369 1.00 0.00 H new ATOM 475 N VAL A 34 -5.346 0.031 6.716 1.00 0.00 N ATOM 476 CA VAL A 34 -5.796 1.019 5.754 1.00 0.00 C ATOM 477 C VAL A 34 -7.126 0.595 5.204 1.00 0.00 C ATOM 478 O VAL A 34 -8.086 1.362 5.197 1.00 0.00 O ATOM 479 CB VAL A 34 -4.846 1.212 4.587 1.00 0.00 C ATOM 480 CG1 VAL A 34 -5.256 2.467 3.833 1.00 0.00 C ATOM 481 CG2 VAL A 34 -3.421 1.301 5.079 1.00 0.00 C ATOM 0 H VAL A 34 -4.597 -0.582 6.393 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.853 1.967 6.289 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.900 0.358 3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.583 2.621 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.276 2.354 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.203 3.327 4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.751 1.439 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.323 2.146 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.159 0.381 5.602 1.00 0.00 H new ATOM 491 N ASP A 35 -7.155 -0.667 4.775 1.00 0.00 N ATOM 492 CA ASP A 35 -8.356 -1.305 4.231 1.00 0.00 C ATOM 493 C ASP A 35 -9.635 -0.531 4.577 1.00 0.00 C ATOM 494 O ASP A 35 -10.391 -0.933 5.463 1.00 0.00 O ATOM 495 CB ASP A 35 -8.471 -2.736 4.768 1.00 0.00 C ATOM 496 CG ASP A 35 -9.719 -3.447 4.278 1.00 0.00 C ATOM 497 OD1 ASP A 35 -9.676 -4.030 3.176 1.00 0.00 O ATOM 498 OD2 ASP A 35 -10.740 -3.419 4.998 1.00 0.00 O ATOM 0 H ASP A 35 -6.340 -1.280 4.795 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.255 -1.312 3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.592 -3.305 4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.476 -2.711 5.858 1.00 0.00 H new ATOM 571 N ASP A 40 -11.746 -5.904 -1.601 1.00 0.00 N ATOM 572 CA ASP A 40 -12.167 -5.756 -2.987 1.00 0.00 C ATOM 573 C ASP A 40 -11.440 -4.575 -3.615 1.00 0.00 C ATOM 574 O ASP A 40 -10.632 -4.739 -4.530 1.00 0.00 O ATOM 575 CB ASP A 40 -13.679 -5.545 -3.063 1.00 0.00 C ATOM 576 CG ASP A 40 -14.432 -6.836 -3.318 1.00 0.00 C ATOM 577 OD1 ASP A 40 -13.949 -7.655 -4.129 1.00 0.00 O ATOM 578 OD2 ASP A 40 -15.504 -7.029 -2.707 1.00 0.00 O ATOM 0 HA ASP A 40 -11.918 -6.665 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.028 -5.102 -2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.904 -4.834 -3.858 1.00 0.00 H new ATOM 583 N GLN A 41 -11.718 -3.388 -3.092 1.00 0.00 N ATOM 584 CA GLN A 41 -11.082 -2.168 -3.567 1.00 0.00 C ATOM 585 C GLN A 41 -10.245 -1.534 -2.453 1.00 0.00 C ATOM 586 O GLN A 41 -9.447 -0.631 -2.700 1.00 0.00 O ATOM 587 CB GLN A 41 -12.131 -1.172 -4.069 1.00 0.00 C ATOM 588 CG GLN A 41 -13.184 -0.818 -3.032 1.00 0.00 C ATOM 589 CD GLN A 41 -14.499 -0.399 -3.660 1.00 0.00 C ATOM 590 OE1 GLN A 41 -14.628 0.710 -4.179 1.00 0.00 O ATOM 591 NE2 GLN A 41 -15.486 -1.287 -3.615 1.00 0.00 N ATOM 0 H GLN A 41 -12.385 -3.245 -2.333 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.424 -2.427 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.628 -0.259 -4.389 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.624 -1.589 -4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.353 -1.677 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -12.812 -0.010 -2.402 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -15.336 -2.195 -3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.394 -1.061 -4.021 1.00 0.00 H new ATOM 600 N ALA A 42 -10.435 -2.020 -1.224 1.00 0.00 N ATOM 601 CA ALA A 42 -9.700 -1.510 -0.073 1.00 0.00 C ATOM 602 C ALA A 42 -8.206 -1.772 -0.217 1.00 0.00 C ATOM 603 O ALA A 42 -7.376 -0.905 0.059 1.00 0.00 O ATOM 604 CB ALA A 42 -10.211 -2.157 1.207 1.00 0.00 C ATOM 0 H ALA A 42 -11.094 -2.767 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.860 -0.433 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.654 -1.768 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.270 -1.930 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.076 -3.237 1.148 1.00 0.00 H new ATOM 610 N ALA A 43 -7.878 -2.983 -0.646 1.00 0.00 N ATOM 611 CA ALA A 43 -6.493 -3.395 -0.830 1.00 0.00 C ATOM 612 C ALA A 43 -5.882 -2.752 -2.065 1.00 0.00 C ATOM 613 O ALA A 43 -4.674 -2.519 -2.122 1.00 0.00 O ATOM 614 CB ALA A 43 -6.403 -4.911 -0.930 1.00 0.00 C ATOM 0 H ALA A 43 -8.561 -3.705 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.927 -3.059 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.363 -5.205 -1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.789 -5.360 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.993 -5.255 -1.780 1.00 0.00 H new ATOM 620 N LYS A 44 -6.714 -2.504 -3.066 1.00 0.00 N ATOM 621 CA LYS A 44 -6.240 -1.931 -4.316 1.00 0.00 C ATOM 622 C LYS A 44 -5.632 -0.542 -4.129 1.00 0.00 C ATOM 623 O LYS A 44 -4.544 -0.284 -4.625 1.00 0.00 O ATOM 624 CB LYS A 44 -7.385 -1.860 -5.327 1.00 0.00 C ATOM 625 CG LYS A 44 -7.776 -3.214 -5.899 1.00 0.00 C ATOM 626 CD LYS A 44 -7.590 -3.261 -7.407 1.00 0.00 C ATOM 627 CE LYS A 44 -6.281 -3.935 -7.785 1.00 0.00 C ATOM 628 NZ LYS A 44 -5.881 -3.624 -9.186 1.00 0.00 N ATOM 0 H LYS A 44 -7.717 -2.690 -3.037 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.452 -2.585 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.255 -1.412 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.097 -1.199 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.173 -3.994 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.817 -3.426 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.422 -3.799 -7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.608 -2.248 -7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.495 -3.611 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.381 -5.014 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.984 -4.102 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.619 -3.956 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.761 -2.596 -9.293 1.00 0.00 H new ATOM 642 N VAL A 45 -6.321 0.363 -3.442 1.00 0.00 N ATOM 643 CA VAL A 45 -5.774 1.708 -3.266 1.00 0.00 C ATOM 644 C VAL A 45 -4.578 1.750 -2.314 1.00 0.00 C ATOM 645 O VAL A 45 -3.534 2.307 -2.652 1.00 0.00 O ATOM 646 CB VAL A 45 -6.830 2.691 -2.728 1.00 0.00 C ATOM 647 CG1 VAL A 45 -7.737 3.163 -3.843 1.00 0.00 C ATOM 648 CG2 VAL A 45 -7.637 2.072 -1.599 1.00 0.00 C ATOM 0 H VAL A 45 -7.230 0.201 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.449 2.005 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.305 3.556 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.476 3.857 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.144 3.666 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.246 2.307 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.374 2.791 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.148 1.180 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.969 1.799 -0.782 1.00 0.00 H new ATOM 658 N THR A 46 -4.732 1.183 -1.118 1.00 0.00 N ATOM 659 CA THR A 46 -3.648 1.203 -0.136 1.00 0.00 C ATOM 660 C THR A 46 -2.484 0.304 -0.501 1.00 0.00 C ATOM 661 O THR A 46 -1.323 0.706 -0.438 1.00 0.00 O ATOM 662 CB THR A 46 -4.174 0.806 1.252 1.00 0.00 C ATOM 663 OG1 THR A 46 -3.451 1.487 2.256 1.00 0.00 O ATOM 664 CG2 THR A 46 -4.093 -0.682 1.574 1.00 0.00 C ATOM 0 H THR A 46 -5.582 0.711 -0.809 1.00 0.00 H new ATOM 0 HA THR A 46 -3.275 2.227 -0.126 1.00 0.00 H new ATOM 0 HB THR A 46 -5.229 1.080 1.230 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.553 1.699 1.926 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.488 -0.860 2.574 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.680 -1.244 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.054 -1.008 1.531 1.00 0.00 H new ATOM 672 N GLY A 47 -2.814 -0.932 -0.813 1.00 0.00 N ATOM 673 CA GLY A 47 -1.802 -1.921 -1.106 1.00 0.00 C ATOM 674 C GLY A 47 -1.122 -1.779 -2.463 1.00 0.00 C ATOM 675 O GLY A 47 0.013 -2.221 -2.624 1.00 0.00 O ATOM 0 H GLY A 47 -3.773 -1.274 -0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.038 -1.876 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.257 -2.910 -1.048 1.00 0.00 H new ATOM 679 N MET A 48 -1.783 -1.167 -3.446 1.00 0.00 N ATOM 680 CA MET A 48 -1.157 -0.999 -4.761 1.00 0.00 C ATOM 681 C MET A 48 -0.033 0.024 -4.666 1.00 0.00 C ATOM 682 O MET A 48 1.084 -0.211 -5.127 1.00 0.00 O ATOM 683 CB MET A 48 -2.172 -0.552 -5.813 1.00 0.00 C ATOM 684 CG MET A 48 -3.061 -1.677 -6.317 1.00 0.00 C ATOM 685 SD MET A 48 -2.273 -2.661 -7.606 1.00 0.00 S ATOM 686 CE MET A 48 -2.791 -1.775 -9.073 1.00 0.00 C ATOM 0 H MET A 48 -2.726 -0.788 -3.364 1.00 0.00 H new ATOM 0 HA MET A 48 -0.756 -1.965 -5.069 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.799 0.234 -5.391 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.639 -0.115 -6.658 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.328 -2.325 -5.483 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.989 -1.256 -6.703 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.508 -2.379 -9.629 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.257 -0.833 -8.784 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.923 -1.572 -9.701 1.00 0.00 H new ATOM 696 N LEU A 49 -0.341 1.150 -4.036 1.00 0.00 N ATOM 697 CA LEU A 49 0.624 2.218 -3.833 1.00 0.00 C ATOM 698 C LEU A 49 1.768 1.751 -2.941 1.00 0.00 C ATOM 699 O LEU A 49 2.810 2.401 -2.863 1.00 0.00 O ATOM 700 CB LEU A 49 -0.047 3.447 -3.214 1.00 0.00 C ATOM 701 CG LEU A 49 -0.757 4.379 -4.201 1.00 0.00 C ATOM 702 CD1 LEU A 49 0.099 4.618 -5.434 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.112 3.811 -4.595 1.00 0.00 C ATOM 0 H LEU A 49 -1.266 1.347 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 49 1.027 2.491 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.773 3.109 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.709 4.021 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.915 5.337 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.427 5.283 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.043 5.075 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.296 3.668 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.600 4.488 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.975 2.837 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.733 3.700 -3.706 1.00 0.00 H new ATOM 715 N LEU A 50 1.557 0.636 -2.243 1.00 0.00 N ATOM 716 CA LEU A 50 2.561 0.111 -1.329 1.00 0.00 C ATOM 717 C LEU A 50 3.906 -0.102 -2.032 1.00 0.00 C ATOM 718 O LEU A 50 4.944 -0.188 -1.377 1.00 0.00 O ATOM 719 CB LEU A 50 2.089 -1.208 -0.726 1.00 0.00 C ATOM 720 CG LEU A 50 1.154 -1.064 0.470 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.749 -2.425 1.018 1.00 0.00 C ATOM 722 CD2 LEU A 50 1.821 -0.228 1.550 1.00 0.00 C ATOM 0 H LEU A 50 0.702 0.083 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 50 2.700 0.847 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.581 -1.784 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.962 -1.785 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 50 0.247 -0.558 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.082 -2.291 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.235 -2.992 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.639 -2.969 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.148 -0.129 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.742 -0.715 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.052 0.761 1.154 1.00 0.00 H new ATOM 734 N GLU A 51 3.892 -0.177 -3.363 1.00 0.00 N ATOM 735 CA GLU A 51 5.127 -0.364 -4.125 1.00 0.00 C ATOM 736 C GLU A 51 5.258 0.659 -5.254 1.00 0.00 C ATOM 737 O GLU A 51 6.301 0.742 -5.902 1.00 0.00 O ATOM 738 CB GLU A 51 5.205 -1.779 -4.704 1.00 0.00 C ATOM 739 CG GLU A 51 3.925 -2.241 -5.379 1.00 0.00 C ATOM 740 CD GLU A 51 3.898 -1.923 -6.861 1.00 0.00 C ATOM 741 OE1 GLU A 51 4.705 -1.078 -7.303 1.00 0.00 O ATOM 742 OE2 GLU A 51 3.068 -2.518 -7.580 1.00 0.00 O ATOM 0 H GLU A 51 3.048 -0.112 -3.932 1.00 0.00 H new ATOM 0 HA GLU A 51 5.953 -0.215 -3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.020 -1.821 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.453 -2.475 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.813 -3.316 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.072 -1.767 -4.894 1.00 0.00 H new ATOM 749 N MET A 52 4.204 1.436 -5.492 1.00 0.00 N ATOM 750 CA MET A 52 4.226 2.442 -6.548 1.00 0.00 C ATOM 751 C MET A 52 5.163 3.590 -6.185 1.00 0.00 C ATOM 752 O MET A 52 6.271 3.688 -6.712 1.00 0.00 O ATOM 753 CB MET A 52 2.817 2.976 -6.806 1.00 0.00 C ATOM 754 CG MET A 52 1.863 1.930 -7.361 1.00 0.00 C ATOM 755 SD MET A 52 1.832 1.908 -9.165 1.00 0.00 S ATOM 756 CE MET A 52 2.963 0.561 -9.505 1.00 0.00 C ATOM 0 H MET A 52 3.329 1.388 -4.970 1.00 0.00 H new ATOM 0 HA MET A 52 4.596 1.969 -7.458 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.410 3.369 -5.874 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.876 3.810 -7.505 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.155 0.946 -6.994 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.858 2.125 -6.986 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.852 0.246 -10.543 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.987 0.894 -9.334 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.739 -0.278 -8.846 1.00 0.00 H new ATOM 766 N ASP A 53 4.713 4.457 -5.283 1.00 0.00 N ATOM 767 CA ASP A 53 5.519 5.597 -4.855 1.00 0.00 C ATOM 768 C ASP A 53 5.903 5.472 -3.384 1.00 0.00 C ATOM 769 O ASP A 53 5.074 5.121 -2.546 1.00 0.00 O ATOM 770 CB ASP A 53 4.757 6.903 -5.086 1.00 0.00 C ATOM 771 CG ASP A 53 5.024 7.493 -6.457 1.00 0.00 C ATOM 772 OD1 ASP A 53 4.805 6.783 -7.462 1.00 0.00 O ATOM 773 OD2 ASP A 53 5.450 8.665 -6.526 1.00 0.00 O ATOM 0 H ASP A 53 3.799 4.393 -4.836 1.00 0.00 H new ATOM 0 HA ASP A 53 6.432 5.607 -5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.688 6.722 -4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.040 7.626 -4.321 1.00 0.00 H new ATOM 778 N GLN A 54 7.166 5.762 -3.078 1.00 0.00 N ATOM 779 CA GLN A 54 7.660 5.681 -1.705 1.00 0.00 C ATOM 780 C GLN A 54 6.832 6.564 -0.776 1.00 0.00 C ATOM 781 O GLN A 54 6.580 6.213 0.376 1.00 0.00 O ATOM 782 CB GLN A 54 9.132 6.093 -1.645 1.00 0.00 C ATOM 783 CG GLN A 54 9.945 5.301 -0.633 1.00 0.00 C ATOM 784 CD GLN A 54 11.274 4.831 -1.191 1.00 0.00 C ATOM 785 OE1 GLN A 54 11.322 4.108 -2.187 1.00 0.00 O ATOM 786 NE2 GLN A 54 12.363 5.240 -0.550 1.00 0.00 N ATOM 0 H GLN A 54 7.865 6.055 -3.761 1.00 0.00 H new ATOM 0 HA GLN A 54 7.567 4.647 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.576 5.968 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.194 7.153 -1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.123 5.919 0.247 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.367 4.437 -0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.277 5.839 0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.286 4.956 -0.879 1.00 0.00 H new ATOM 795 N THR A 55 6.409 7.709 -1.289 1.00 0.00 N ATOM 796 CA THR A 55 5.596 8.644 -0.524 1.00 0.00 C ATOM 797 C THR A 55 4.191 8.089 -0.317 1.00 0.00 C ATOM 798 O THR A 55 3.642 8.143 0.783 1.00 0.00 O ATOM 799 CB THR A 55 5.526 9.997 -1.235 1.00 0.00 C ATOM 800 OG1 THR A 55 4.752 10.917 -0.486 1.00 0.00 O ATOM 801 CG2 THR A 55 4.925 9.913 -2.622 1.00 0.00 C ATOM 0 H THR A 55 6.617 8.015 -2.239 1.00 0.00 H new ATOM 0 HA THR A 55 6.063 8.783 0.451 1.00 0.00 H new ATOM 0 HB THR A 55 6.560 10.331 -1.324 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.720 11.776 -0.956 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.905 10.906 -3.070 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.528 9.248 -3.240 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.909 9.524 -2.555 1.00 0.00 H new ATOM 809 N GLU A 56 3.612 7.560 -1.394 1.00 0.00 N ATOM 810 CA GLU A 56 2.267 6.998 -1.349 1.00 0.00 C ATOM 811 C GLU A 56 2.226 5.723 -0.511 1.00 0.00 C ATOM 812 O GLU A 56 1.325 5.540 0.303 1.00 0.00 O ATOM 813 CB GLU A 56 1.765 6.710 -2.765 1.00 0.00 C ATOM 814 CG GLU A 56 1.127 7.915 -3.439 1.00 0.00 C ATOM 815 CD GLU A 56 1.949 8.439 -4.601 1.00 0.00 C ATOM 816 OE1 GLU A 56 1.884 7.837 -5.694 1.00 0.00 O ATOM 817 OE2 GLU A 56 2.658 9.451 -4.417 1.00 0.00 O ATOM 0 H GLU A 56 4.057 7.510 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 56 1.614 7.733 -0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.599 6.362 -3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.039 5.898 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.134 7.643 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.996 8.710 -2.705 1.00 0.00 H new ATOM 824 N VAL A 57 3.207 4.847 -0.709 1.00 0.00 N ATOM 825 CA VAL A 57 3.271 3.594 0.042 1.00 0.00 C ATOM 826 C VAL A 57 3.295 3.874 1.537 1.00 0.00 C ATOM 827 O VAL A 57 2.574 3.249 2.314 1.00 0.00 O ATOM 828 CB VAL A 57 4.533 2.774 -0.326 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.754 3.668 -0.363 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.750 1.624 0.651 1.00 0.00 C ATOM 0 H VAL A 57 3.965 4.979 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 57 2.384 3.017 -0.219 1.00 0.00 H new ATOM 0 HB VAL A 57 4.377 2.350 -1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.631 3.075 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.610 4.450 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.901 4.124 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.643 1.068 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.876 2.021 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.886 0.960 0.629 1.00 0.00 H new ATOM 840 N LEU A 58 4.131 4.822 1.928 1.00 0.00 N ATOM 841 CA LEU A 58 4.260 5.200 3.321 1.00 0.00 C ATOM 842 C LEU A 58 2.956 5.798 3.840 1.00 0.00 C ATOM 843 O LEU A 58 2.498 5.461 4.927 1.00 0.00 O ATOM 844 CB LEU A 58 5.415 6.200 3.475 1.00 0.00 C ATOM 845 CG LEU A 58 5.330 7.132 4.688 1.00 0.00 C ATOM 846 CD1 LEU A 58 5.364 6.329 5.979 1.00 0.00 C ATOM 847 CD2 LEU A 58 6.461 8.148 4.659 1.00 0.00 C ATOM 0 H LEU A 58 4.733 5.346 1.293 1.00 0.00 H new ATOM 0 HA LEU A 58 4.478 4.311 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.349 5.642 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.465 6.811 2.574 1.00 0.00 H new ATOM 0 HG LEU A 58 4.384 7.671 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.303 7.007 6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.519 5.640 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.294 5.764 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.385 8.802 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.418 7.627 4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.391 8.744 3.749 1.00 0.00 H new ATOM 859 N HIS A 59 2.379 6.702 3.059 1.00 0.00 N ATOM 860 CA HIS A 59 1.141 7.379 3.434 1.00 0.00 C ATOM 861 C HIS A 59 -0.092 6.467 3.401 1.00 0.00 C ATOM 862 O HIS A 59 -0.904 6.487 4.326 1.00 0.00 O ATOM 863 CB HIS A 59 0.912 8.581 2.519 1.00 0.00 C ATOM 864 CG HIS A 59 1.972 9.633 2.636 1.00 0.00 C ATOM 865 ND1 HIS A 59 3.189 9.411 3.245 1.00 0.00 N ATOM 866 CD2 HIS A 59 1.994 10.921 2.218 1.00 0.00 C ATOM 867 CE1 HIS A 59 3.913 10.515 3.198 1.00 0.00 C ATOM 868 NE2 HIS A 59 3.211 11.446 2.579 1.00 0.00 N ATOM 0 H HIS A 59 2.752 6.986 2.153 1.00 0.00 H new ATOM 0 HA HIS A 59 1.266 7.699 4.468 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.865 8.237 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.056 9.025 2.751 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.202 11.439 1.698 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.909 10.635 3.598 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.522 12.400 2.398 1.00 0.00 H new ATOM 876 N LEU A 60 -0.265 5.714 2.315 1.00 0.00 N ATOM 877 CA LEU A 60 -1.443 4.859 2.160 1.00 0.00 C ATOM 878 C LEU A 60 -1.580 3.807 3.259 1.00 0.00 C ATOM 879 O LEU A 60 -2.675 3.580 3.763 1.00 0.00 O ATOM 880 CB LEU A 60 -1.429 4.175 0.791 1.00 0.00 C ATOM 881 CG LEU A 60 -2.478 4.695 -0.194 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.858 4.704 0.453 1.00 0.00 C ATOM 883 CD2 LEU A 60 -2.100 6.088 -0.672 1.00 0.00 C ATOM 0 H LEU A 60 0.390 5.678 1.534 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.308 5.518 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.441 4.299 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.582 3.105 0.933 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.511 4.029 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.592 5.077 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.126 3.691 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.844 5.351 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.853 6.449 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.045 6.763 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.130 6.052 -1.168 1.00 0.00 H new ATOM 895 N LEU A 61 -0.484 3.164 3.627 1.00 0.00 N ATOM 896 CA LEU A 61 -0.527 2.135 4.661 1.00 0.00 C ATOM 897 C LEU A 61 -0.008 2.674 5.990 1.00 0.00 C ATOM 898 O LEU A 61 0.697 1.981 6.724 1.00 0.00 O ATOM 899 CB LEU A 61 0.258 0.904 4.204 1.00 0.00 C ATOM 900 CG LEU A 61 -0.535 -0.416 4.196 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.290 -0.621 2.883 1.00 0.00 C ATOM 902 CD2 LEU A 61 0.404 -1.576 4.446 1.00 0.00 C ATOM 0 H LEU A 61 0.441 3.332 3.231 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.563 1.837 4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.637 1.087 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.125 0.784 4.854 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.277 -0.366 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.836 -1.564 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.993 0.199 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.581 -0.645 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.160 -2.509 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.162 -1.605 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.887 -1.451 5.415 1.00 0.00 H new ATOM 914 N GLU A 62 -0.386 3.918 6.296 1.00 0.00 N ATOM 915 CA GLU A 62 0.013 4.565 7.544 1.00 0.00 C ATOM 916 C GLU A 62 -0.964 5.678 7.930 1.00 0.00 C ATOM 917 O GLU A 62 -1.352 5.790 9.093 1.00 0.00 O ATOM 918 CB GLU A 62 1.424 5.148 7.438 1.00 0.00 C ATOM 919 CG GLU A 62 2.516 4.107 7.243 1.00 0.00 C ATOM 920 CD GLU A 62 2.710 3.226 8.464 1.00 0.00 C ATOM 921 OE1 GLU A 62 1.739 2.559 8.878 1.00 0.00 O ATOM 922 OE2 GLU A 62 3.836 3.205 9.006 1.00 0.00 O ATOM 0 H GLU A 62 -0.970 4.497 5.693 1.00 0.00 H new ATOM 0 HA GLU A 62 0.001 3.798 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.453 5.850 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.638 5.718 8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.268 3.482 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.455 4.610 7.010 1.00 0.00 H new ATOM 929 N SER A 63 -1.351 6.512 6.960 1.00 0.00 N ATOM 930 CA SER A 63 -2.269 7.616 7.236 1.00 0.00 C ATOM 931 C SER A 63 -3.573 7.476 6.451 1.00 0.00 C ATOM 932 O SER A 63 -3.593 6.907 5.360 1.00 0.00 O ATOM 933 CB SER A 63 -1.604 8.951 6.898 1.00 0.00 C ATOM 934 OG SER A 63 -0.392 9.113 7.616 1.00 0.00 O ATOM 0 H SER A 63 -1.046 6.444 5.989 1.00 0.00 H new ATOM 0 HA SER A 63 -2.510 7.586 8.299 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.406 9.001 5.827 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.283 9.770 7.135 1.00 0.00 H new ATOM 0 HG SER A 63 0.015 9.973 7.381 1.00 0.00 H new ATOM 940 N PRO A 64 -4.686 8.001 7.001 1.00 0.00 N ATOM 941 CA PRO A 64 -6.000 7.941 6.355 1.00 0.00 C ATOM 942 C PRO A 64 -6.108 8.910 5.181 1.00 0.00 C ATOM 943 O PRO A 64 -6.601 8.552 4.111 1.00 0.00 O ATOM 944 CB PRO A 64 -6.983 8.345 7.468 1.00 0.00 C ATOM 945 CG PRO A 64 -6.172 8.433 8.721 1.00 0.00 C ATOM 946 CD PRO A 64 -4.759 8.696 8.292 1.00 0.00 C ATOM 0 HA PRO A 64 -6.197 6.953 5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.457 9.300 7.242 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.781 7.609 7.570 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.538 9.233 9.365 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.239 7.507 9.293 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.557 9.762 8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.037 8.301 9.007 1.00 0.00 H new ATOM 954 N ASP A 65 -5.639 10.139 5.386 1.00 0.00 N ATOM 955 CA ASP A 65 -5.676 11.163 4.344 1.00 0.00 C ATOM 956 C ASP A 65 -5.065 10.637 3.049 1.00 0.00 C ATOM 957 O ASP A 65 -5.418 11.071 1.952 1.00 0.00 O ATOM 958 CB ASP A 65 -4.931 12.415 4.814 1.00 0.00 C ATOM 959 CG ASP A 65 -3.422 12.287 4.691 1.00 0.00 C ATOM 960 OD1 ASP A 65 -2.917 12.301 3.549 1.00 0.00 O ATOM 961 OD2 ASP A 65 -2.748 12.173 5.736 1.00 0.00 O ATOM 0 H ASP A 65 -5.228 10.450 6.266 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.717 11.423 4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.267 13.272 4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.190 12.617 5.853 1.00 0.00 H new ATOM 966 N ALA A 66 -4.145 9.695 3.197 1.00 0.00 N ATOM 967 CA ALA A 66 -3.469 9.091 2.060 1.00 0.00 C ATOM 968 C ALA A 66 -4.458 8.338 1.176 1.00 0.00 C ATOM 969 O ALA A 66 -4.313 8.295 -0.046 1.00 0.00 O ATOM 970 CB ALA A 66 -2.379 8.150 2.547 1.00 0.00 C ATOM 0 H ALA A 66 -3.848 9.330 4.102 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.018 9.885 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.877 7.701 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.655 8.708 3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.823 7.365 3.160 1.00 0.00 H new ATOM 976 N LEU A 67 -5.455 7.736 1.812 1.00 0.00 N ATOM 977 CA LEU A 67 -6.474 6.963 1.110 1.00 0.00 C ATOM 978 C LEU A 67 -7.332 7.826 0.192 1.00 0.00 C ATOM 979 O LEU A 67 -7.607 7.448 -0.944 1.00 0.00 O ATOM 980 CB LEU A 67 -7.370 6.259 2.125 1.00 0.00 C ATOM 981 CG LEU A 67 -6.774 4.992 2.727 1.00 0.00 C ATOM 982 CD1 LEU A 67 -7.593 4.535 3.925 1.00 0.00 C ATOM 983 CD2 LEU A 67 -6.696 3.901 1.671 1.00 0.00 C ATOM 0 H LEU A 67 -5.581 7.769 2.824 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.956 6.235 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.600 6.955 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.314 6.007 1.643 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.764 5.207 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.153 3.629 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.598 5.318 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.616 4.329 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.269 2.999 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.697 3.684 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.066 4.237 0.847 1.00 0.00 H new ATOM 995 N LYS A 68 -7.764 8.975 0.691 1.00 0.00 N ATOM 996 CA LYS A 68 -8.617 9.872 -0.083 1.00 0.00 C ATOM 997 C LYS A 68 -7.994 10.212 -1.433 1.00 0.00 C ATOM 998 O LYS A 68 -8.697 10.380 -2.429 1.00 0.00 O ATOM 999 CB LYS A 68 -8.881 11.156 0.707 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.271 11.217 1.322 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.111 12.320 0.697 1.00 0.00 C ATOM 1002 CE LYS A 68 -11.629 11.914 -0.675 1.00 0.00 C ATOM 1003 NZ LYS A 68 -12.233 10.553 -0.659 1.00 0.00 N ATOM 0 H LYS A 68 -7.539 9.310 1.628 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.560 9.358 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.138 11.244 1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.747 12.013 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.771 10.258 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.188 11.386 2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.952 12.554 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.514 13.228 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.372 12.637 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.811 11.940 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.995 10.503 -1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.504 9.847 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.622 10.357 0.285 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.676 10.331 -1.453 1.00 0.00 N ATOM 1018 CA ALA A 69 -5.954 10.673 -2.671 1.00 0.00 C ATOM 1019 C ALA A 69 -6.002 9.572 -3.726 1.00 0.00 C ATOM 1020 O ALA A 69 -6.344 9.818 -4.884 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.509 10.903 -2.312 1.00 0.00 C ATOM 0 H ALA A 69 -6.081 10.195 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.430 11.558 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.948 11.161 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.438 11.719 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.094 9.996 -1.873 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.629 8.365 -3.322 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.592 7.229 -4.234 1.00 0.00 C ATOM 1029 C LYS A 70 -6.972 6.640 -4.458 1.00 0.00 C ATOM 1030 O LYS A 70 -7.288 6.182 -5.552 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.651 6.152 -3.698 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.234 6.648 -3.470 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.602 7.155 -4.760 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.101 8.583 -4.614 1.00 0.00 C ATOM 1035 NZ LYS A 70 -3.037 9.565 -5.229 1.00 0.00 N ATOM 0 H LYS A 70 -5.347 8.147 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.223 7.592 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.049 5.767 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.628 5.318 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.243 7.448 -2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.627 5.841 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.773 6.505 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.332 7.106 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.973 8.817 -3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.121 8.674 -5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.905 10.496 -4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.843 9.638 -6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.017 9.248 -5.084 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.785 6.638 -3.415 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.132 6.074 -3.522 1.00 0.00 C ATOM 1051 C VAL A 71 -9.944 6.763 -4.611 1.00 0.00 C ATOM 1052 O VAL A 71 -10.575 6.100 -5.432 1.00 0.00 O ATOM 1053 CB VAL A 71 -9.905 6.127 -2.187 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.154 5.375 -1.099 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.177 7.566 -1.773 1.00 0.00 C ATOM 0 H VAL A 71 -7.547 7.012 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.995 5.026 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.867 5.635 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.717 5.425 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.033 4.333 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.173 5.827 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.723 7.576 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.231 8.094 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.772 8.059 -2.542 1.00 0.00 H new ATOM 1065 N ALA A 72 -9.924 8.089 -4.630 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.666 8.834 -5.637 1.00 0.00 C ATOM 1067 C ALA A 72 -10.222 8.441 -7.044 1.00 0.00 C ATOM 1068 O ALA A 72 -11.049 8.198 -7.922 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.490 10.330 -5.424 1.00 0.00 C ATOM 0 H ALA A 72 -9.407 8.666 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.723 8.587 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.050 10.874 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.860 10.603 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.433 10.586 -5.499 1.00 0.00 H new ATOM 1075 N GLU A 73 -8.909 8.381 -7.248 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.350 8.017 -8.547 1.00 0.00 C ATOM 1077 C GLU A 73 -8.504 6.524 -8.840 1.00 0.00 C ATOM 1078 O GLU A 73 -8.958 6.137 -9.917 1.00 0.00 O ATOM 1079 CB GLU A 73 -6.873 8.407 -8.609 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.603 9.843 -8.189 1.00 0.00 C ATOM 1081 CD GLU A 73 -5.446 10.464 -8.947 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -4.352 9.860 -8.962 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -5.634 11.555 -9.525 1.00 0.00 O ATOM 0 H GLU A 73 -8.212 8.580 -6.530 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.908 8.563 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.302 7.736 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.510 8.261 -9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.501 10.440 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.390 9.871 -7.120 1.00 0.00 H new ATOM 1090 N ALA A 74 -8.096 5.690 -7.886 1.00 0.00 N ATOM 1091 CA ALA A 74 -8.157 4.239 -8.049 1.00 0.00 C ATOM 1092 C ALA A 74 -9.591 3.711 -8.082 1.00 0.00 C ATOM 1093 O ALA A 74 -9.964 2.982 -8.999 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.367 3.549 -6.944 1.00 0.00 C ATOM 0 H ALA A 74 -7.718 5.995 -6.989 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.709 4.008 -9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.421 2.469 -7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.326 3.868 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.788 3.816 -5.975 1.00 0.00 H new ATOM 1100 N MET A 75 -10.389 4.066 -7.081 1.00 0.00 N ATOM 1101 CA MET A 75 -11.767 3.603 -7.015 1.00 0.00 C ATOM 1102 C MET A 75 -12.548 4.017 -8.258 1.00 0.00 C ATOM 1103 O MET A 75 -13.544 3.390 -8.612 1.00 0.00 O ATOM 1104 CB MET A 75 -12.448 4.149 -5.763 1.00 0.00 C ATOM 1105 CG MET A 75 -11.705 3.828 -4.475 1.00 0.00 C ATOM 1106 SD MET A 75 -12.608 2.682 -3.415 1.00 0.00 S ATOM 1107 CE MET A 75 -13.045 3.758 -2.051 1.00 0.00 C ATOM 0 H MET A 75 -10.106 4.670 -6.309 1.00 0.00 H new ATOM 0 HA MET A 75 -11.754 2.514 -6.969 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.546 5.231 -5.856 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.457 3.741 -5.702 1.00 0.00 H new ATOM 0 HG2 MET A 75 -10.732 3.401 -4.719 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.519 4.752 -3.928 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.845 3.301 -1.469 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.174 3.910 -1.414 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.383 4.719 -2.439 1.00 0.00 H new