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 55 THR OG1 : rot 180:sc= -0.0325 USER MOD Set 1.2: A 59 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.83) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 149:sc= -1.25 (180deg=0) USER MOD Set 2.2: A 48 MET CE :methyl -106:sc= -1.5 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.252 USER MOD Single : A 22 GLN : amide:sc= -21.3! C(o=-21!,f=-12!) 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 X(o=0,f=-0.098) USER MOD Single : A 31 TYR OH : rot 93:sc= 0.0244 USER MOD Single : A 41 GLN : amide:sc= -1.05 K(o=-1,f=-4.7!) USER MOD Single : A 46 THR OG1 : rot 130:sc= -4.29! USER MOD Single : A 52 MET CE :methyl -121:sc= 0 (180deg=-0.384) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 140:sc= -1.26 (180deg=-3.42!) USER MOD Single : A 75 MET CE :methyl -165:sc= -1.1 (180deg=-1.96) USER MOD ----------------------------------------------------------------- ATOM 215 N PRO A 18 12.575 -5.049 -2.680 1.00 0.00 N ATOM 216 CA PRO A 18 11.892 -3.949 -3.370 1.00 0.00 C ATOM 217 C PRO A 18 10.562 -3.587 -2.714 1.00 0.00 C ATOM 218 O PRO A 18 10.112 -4.265 -1.790 1.00 0.00 O ATOM 219 CB PRO A 18 11.659 -4.499 -4.780 1.00 0.00 C ATOM 220 CG PRO A 18 11.653 -5.978 -4.614 1.00 0.00 C ATOM 221 CD PRO A 18 12.622 -6.272 -3.504 1.00 0.00 C ATOM 0 HA PRO A 18 12.479 -3.031 -3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.715 -4.143 -5.193 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.446 -4.181 -5.464 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.655 -6.339 -4.367 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.953 -6.476 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.326 -7.153 -2.934 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.625 -6.462 -3.885 1.00 0.00 H new ATOM 229 N PRO A 19 9.916 -2.506 -3.182 1.00 0.00 N ATOM 230 CA PRO A 19 8.633 -2.051 -2.636 1.00 0.00 C ATOM 231 C PRO A 19 7.548 -3.121 -2.725 1.00 0.00 C ATOM 232 O PRO A 19 6.639 -3.166 -1.897 1.00 0.00 O ATOM 233 CB PRO A 19 8.267 -0.850 -3.515 1.00 0.00 C ATOM 234 CG PRO A 19 9.557 -0.400 -4.111 1.00 0.00 C ATOM 235 CD PRO A 19 10.386 -1.640 -4.278 1.00 0.00 C ATOM 0 HA PRO A 19 8.712 -1.811 -1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.552 -1.130 -4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.806 -0.056 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.394 0.093 -5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.057 0.320 -3.463 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.229 -2.102 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.452 -1.427 -4.195 1.00 0.00 H new ATOM 243 N GLU A 20 7.648 -3.978 -3.736 1.00 0.00 N ATOM 244 CA GLU A 20 6.671 -5.044 -3.934 1.00 0.00 C ATOM 245 C GLU A 20 6.755 -6.078 -2.815 1.00 0.00 C ATOM 246 O GLU A 20 5.734 -6.620 -2.375 1.00 0.00 O ATOM 247 CB GLU A 20 6.895 -5.722 -5.288 1.00 0.00 C ATOM 248 CG GLU A 20 8.310 -6.240 -5.482 1.00 0.00 C ATOM 249 CD GLU A 20 8.419 -7.221 -6.634 1.00 0.00 C ATOM 250 OE1 GLU A 20 7.522 -8.082 -6.765 1.00 0.00 O ATOM 251 OE2 GLU A 20 9.397 -7.129 -7.404 1.00 0.00 O ATOM 0 H GLU A 20 8.395 -3.956 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 20 5.676 -4.598 -3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.196 -6.552 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.665 -5.013 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.980 -5.399 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.645 -6.724 -4.565 1.00 0.00 H new ATOM 258 N THR A 21 7.974 -6.348 -2.353 1.00 0.00 N ATOM 259 CA THR A 21 8.173 -7.321 -1.287 1.00 0.00 C ATOM 260 C THR A 21 7.490 -6.846 -0.021 1.00 0.00 C ATOM 261 O THR A 21 6.728 -7.583 0.603 1.00 0.00 O ATOM 262 CB THR A 21 9.667 -7.548 -1.035 1.00 0.00 C ATOM 263 OG1 THR A 21 10.279 -8.150 -2.162 1.00 0.00 O ATOM 264 CG2 THR A 21 9.946 -8.429 0.166 1.00 0.00 C ATOM 0 H THR A 21 8.829 -5.911 -2.697 1.00 0.00 H new ATOM 0 HA THR A 21 7.732 -8.270 -1.593 1.00 0.00 H new ATOM 0 HB THR A 21 10.081 -6.558 -0.842 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.032 -8.704 -1.868 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.023 -8.549 0.287 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.529 -7.967 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.487 -9.406 0.015 1.00 0.00 H new ATOM 272 N GLN A 22 7.723 -5.593 0.323 1.00 0.00 N ATOM 273 CA GLN A 22 7.075 -5.009 1.483 1.00 0.00 C ATOM 274 C GLN A 22 5.605 -4.865 1.184 1.00 0.00 C ATOM 275 O GLN A 22 4.756 -5.160 2.018 1.00 0.00 O ATOM 276 CB GLN A 22 7.635 -3.626 1.835 1.00 0.00 C ATOM 277 CG GLN A 22 6.655 -2.762 2.641 1.00 0.00 C ATOM 278 CD GLN A 22 5.542 -2.161 1.782 1.00 0.00 C ATOM 279 OE1 GLN A 22 5.800 -1.295 0.946 1.00 0.00 O ATOM 280 NE2 GLN A 22 4.291 -2.613 1.979 1.00 0.00 N ATOM 0 H GLN A 22 8.350 -4.965 -0.179 1.00 0.00 H new ATOM 0 HA GLN A 22 7.256 -5.667 2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.555 -3.749 2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.898 -3.103 0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.210 -3.368 3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.205 -1.957 3.128 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.113 -3.332 2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.520 -2.237 1.427 1.00 0.00 H new ATOM 289 N ARG A 23 5.331 -4.354 -0.018 1.00 0.00 N ATOM 290 CA ARG A 23 3.982 -4.097 -0.473 1.00 0.00 C ATOM 291 C ARG A 23 2.963 -4.899 0.313 1.00 0.00 C ATOM 292 O ARG A 23 2.392 -4.407 1.282 1.00 0.00 O ATOM 293 CB ARG A 23 3.855 -4.380 -1.970 1.00 0.00 C ATOM 294 CG ARG A 23 2.474 -4.076 -2.510 1.00 0.00 C ATOM 295 CD ARG A 23 1.940 -5.216 -3.363 1.00 0.00 C ATOM 296 NE ARG A 23 1.299 -4.734 -4.584 1.00 0.00 N ATOM 297 CZ ARG A 23 1.063 -5.498 -5.648 1.00 0.00 C ATOM 298 NH1 ARG A 23 1.410 -6.779 -5.645 1.00 0.00 N ATOM 299 NH2 ARG A 23 0.475 -4.979 -6.718 1.00 0.00 N ATOM 0 H ARG A 23 6.049 -4.109 -0.699 1.00 0.00 H new ATOM 0 HA ARG A 23 3.772 -3.042 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.591 -3.785 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.091 -5.427 -2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.791 -3.892 -1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.508 -3.162 -3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.758 -5.887 -3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.223 -5.798 -2.783 1.00 0.00 H new ATOM 0 HE ARG A 23 1.016 -3.755 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.860 -7.183 -4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.226 -7.359 -6.464 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.204 -3.996 -6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.294 -5.563 -7.534 1.00 0.00 H new ATOM 313 N MET A 24 2.751 -6.138 -0.081 1.00 0.00 N ATOM 314 CA MET A 24 1.799 -6.978 0.619 1.00 0.00 C ATOM 315 C MET A 24 2.191 -7.145 2.087 1.00 0.00 C ATOM 316 O MET A 24 1.328 -7.233 2.957 1.00 0.00 O ATOM 317 CB MET A 24 1.679 -8.344 -0.058 1.00 0.00 C ATOM 318 CG MET A 24 0.619 -9.240 0.564 1.00 0.00 C ATOM 319 SD MET A 24 1.220 -10.907 0.895 1.00 0.00 S ATOM 320 CE MET A 24 0.989 -11.675 -0.706 1.00 0.00 C ATOM 0 H MET A 24 3.218 -6.582 -0.872 1.00 0.00 H new ATOM 0 HA MET A 24 0.827 -6.485 0.578 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.446 -8.198 -1.113 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.644 -8.850 -0.011 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.272 -8.792 1.495 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.241 -9.295 -0.103 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.317 -12.714 -0.662 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.066 -11.638 -0.978 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.576 -11.141 -1.454 1.00 0.00 H new ATOM 330 N MET A 25 3.494 -7.212 2.358 1.00 0.00 N ATOM 331 CA MET A 25 3.976 -7.392 3.726 1.00 0.00 C ATOM 332 C MET A 25 3.469 -6.290 4.664 1.00 0.00 C ATOM 333 O MET A 25 2.902 -6.591 5.714 1.00 0.00 O ATOM 334 CB MET A 25 5.505 -7.429 3.744 1.00 0.00 C ATOM 335 CG MET A 25 6.077 -8.832 3.864 1.00 0.00 C ATOM 336 SD MET A 25 5.546 -9.673 5.369 1.00 0.00 S ATOM 337 CE MET A 25 7.107 -10.320 5.962 1.00 0.00 C ATOM 0 H MET A 25 4.229 -7.145 1.654 1.00 0.00 H new ATOM 0 HA MET A 25 3.582 -8.341 4.089 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.882 -6.968 2.831 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.865 -6.826 4.578 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.773 -9.419 2.998 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.166 -8.779 3.847 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.945 -10.868 6.890 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.531 -10.990 5.214 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.797 -9.496 6.143 1.00 0.00 H new ATOM 347 N LEU A 26 3.640 -5.016 4.288 1.00 0.00 N ATOM 348 CA LEU A 26 3.144 -3.931 5.136 1.00 0.00 C ATOM 349 C LEU A 26 1.629 -3.955 5.124 1.00 0.00 C ATOM 350 O LEU A 26 0.997 -3.943 6.173 1.00 0.00 O ATOM 351 CB LEU A 26 3.658 -2.560 4.692 1.00 0.00 C ATOM 352 CG LEU A 26 3.627 -1.478 5.772 1.00 0.00 C ATOM 353 CD1 LEU A 26 4.818 -1.622 6.705 1.00 0.00 C ATOM 354 CD2 LEU A 26 3.606 -0.095 5.140 1.00 0.00 C ATOM 0 H LEU A 26 4.103 -4.719 3.429 1.00 0.00 H new ATOM 0 HA LEU A 26 3.519 -4.091 6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.683 -2.670 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.063 -2.223 3.844 1.00 0.00 H new ATOM 0 HG LEU A 26 2.716 -1.601 6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.779 -0.844 7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.789 -2.601 7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.741 -1.525 6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.584 0.663 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.499 0.040 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.720 0.005 4.513 1.00 0.00 H new ATOM 366 N GLY A 27 1.047 -4.039 3.925 1.00 0.00 N ATOM 367 CA GLY A 27 -0.369 -4.115 3.807 1.00 0.00 C ATOM 368 C GLY A 27 -0.900 -5.285 4.607 1.00 0.00 C ATOM 369 O GLY A 27 -2.013 -5.252 5.103 1.00 0.00 O ATOM 0 H GLY A 27 1.552 -4.054 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.821 -3.188 4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.648 -4.225 2.759 1.00 0.00 H new ATOM 373 N GLU A 28 -0.093 -6.313 4.787 1.00 0.00 N ATOM 374 CA GLU A 28 -0.534 -7.449 5.574 1.00 0.00 C ATOM 375 C GLU A 28 -0.972 -6.963 6.951 1.00 0.00 C ATOM 376 O GLU A 28 -2.046 -7.323 7.439 1.00 0.00 O ATOM 377 CB GLU A 28 0.588 -8.480 5.710 1.00 0.00 C ATOM 378 CG GLU A 28 0.094 -9.917 5.712 1.00 0.00 C ATOM 379 CD GLU A 28 -0.061 -10.477 7.112 1.00 0.00 C ATOM 380 OE1 GLU A 28 0.681 -10.035 8.015 1.00 0.00 O ATOM 381 OE2 GLU A 28 -0.925 -11.359 7.307 1.00 0.00 O ATOM 0 H GLU A 28 0.851 -6.386 4.408 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.374 -7.928 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.293 -8.348 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.134 -8.291 6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.865 -9.969 5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.792 -10.538 5.151 1.00 0.00 H new ATOM 388 N ASN A 29 -0.149 -6.113 7.558 1.00 0.00 N ATOM 389 CA ASN A 29 -0.465 -5.563 8.875 1.00 0.00 C ATOM 390 C ASN A 29 -1.145 -4.201 8.759 1.00 0.00 C ATOM 391 O ASN A 29 -2.063 -3.877 9.516 1.00 0.00 O ATOM 392 CB ASN A 29 0.807 -5.438 9.713 1.00 0.00 C ATOM 393 CG ASN A 29 1.635 -6.708 9.701 1.00 0.00 C ATOM 394 OD1 ASN A 29 1.100 -7.812 9.794 1.00 0.00 O ATOM 395 ND2 ASN A 29 2.951 -6.557 9.586 1.00 0.00 N ATOM 0 H ASN A 29 0.735 -5.791 7.164 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.156 -6.248 9.366 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.409 -4.612 9.334 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.539 -5.192 10.741 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.559 -7.376 9.572 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.353 -5.622 9.511 1.00 0.00 H new ATOM 402 N LEU A 30 -0.685 -3.401 7.814 1.00 0.00 N ATOM 403 CA LEU A 30 -1.239 -2.075 7.611 1.00 0.00 C ATOM 404 C LEU A 30 -2.516 -2.118 6.771 1.00 0.00 C ATOM 405 O LEU A 30 -3.462 -1.411 7.071 1.00 0.00 O ATOM 406 CB LEU A 30 -0.200 -1.160 6.970 1.00 0.00 C ATOM 407 CG LEU A 30 0.910 -0.688 7.910 1.00 0.00 C ATOM 408 CD1 LEU A 30 0.350 0.242 8.974 1.00 0.00 C ATOM 409 CD2 LEU A 30 1.604 -1.878 8.555 1.00 0.00 C ATOM 0 H LEU A 30 0.071 -3.647 7.175 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.507 -1.672 8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.254 -1.684 6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.708 -0.286 6.564 1.00 0.00 H new ATOM 0 HG LEU A 30 1.645 -0.136 7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.155 0.567 9.633 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.101 1.112 8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.406 -0.285 9.557 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.391 -1.523 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.878 -2.456 9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.041 -2.508 7.780 1.00 0.00 H new ATOM 421 N TYR A 31 -2.555 -2.959 5.733 1.00 0.00 N ATOM 422 CA TYR A 31 -3.749 -3.070 4.896 1.00 0.00 C ATOM 423 C TYR A 31 -4.950 -3.307 5.783 1.00 0.00 C ATOM 424 O TYR A 31 -5.930 -2.593 5.686 1.00 0.00 O ATOM 425 CB TYR A 31 -3.621 -4.181 3.831 1.00 0.00 C ATOM 426 CG TYR A 31 -4.927 -4.813 3.378 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.629 -5.682 4.208 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.446 -4.557 2.116 1.00 0.00 C ATOM 429 CE1 TYR A 31 -6.807 -6.272 3.796 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.626 -5.144 1.699 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.301 -5.999 2.542 1.00 0.00 C ATOM 432 OH TYR A 31 -8.475 -6.584 2.126 1.00 0.00 O ATOM 0 H TYR A 31 -1.783 -3.565 5.456 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.871 -2.136 4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.118 -3.766 2.958 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.977 -4.966 4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.245 -5.899 5.194 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.920 -3.889 1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.337 -6.944 4.454 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.018 -4.933 0.715 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.227 -5.990 2.332 1.00 0.00 H new ATOM 442 N PRO A 32 -4.903 -4.266 6.712 1.00 0.00 N ATOM 443 CA PRO A 32 -6.036 -4.455 7.586 1.00 0.00 C ATOM 444 C PRO A 32 -6.336 -3.161 8.331 1.00 0.00 C ATOM 445 O PRO A 32 -7.494 -2.848 8.606 1.00 0.00 O ATOM 446 CB PRO A 32 -5.608 -5.566 8.550 1.00 0.00 C ATOM 447 CG PRO A 32 -4.132 -5.701 8.387 1.00 0.00 C ATOM 448 CD PRO A 32 -3.788 -5.173 7.019 1.00 0.00 C ATOM 0 HA PRO A 32 -6.945 -4.723 7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.866 -5.312 9.578 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.114 -6.503 8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.606 -5.140 9.160 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.827 -6.743 8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.832 -4.649 7.020 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.710 -5.976 6.286 1.00 0.00 H new ATOM 456 N LEU A 33 -5.283 -2.387 8.630 1.00 0.00 N ATOM 457 CA LEU A 33 -5.467 -1.112 9.306 1.00 0.00 C ATOM 458 C LEU A 33 -5.887 -0.040 8.320 1.00 0.00 C ATOM 459 O LEU A 33 -6.855 0.690 8.534 1.00 0.00 O ATOM 460 CB LEU A 33 -4.177 -0.695 10.018 1.00 0.00 C ATOM 461 CG LEU A 33 -4.099 -1.082 11.495 1.00 0.00 C ATOM 462 CD1 LEU A 33 -4.230 -2.588 11.661 1.00 0.00 C ATOM 463 CD2 LEU A 33 -2.796 -0.588 12.107 1.00 0.00 C ATOM 0 H LEU A 33 -4.314 -2.623 8.416 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.257 -1.230 10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.331 -1.142 9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.068 0.386 9.935 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.928 -0.606 12.019 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.172 -2.844 12.719 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.189 -2.916 11.260 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.423 -3.085 11.123 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.757 -0.872 13.159 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.954 -1.035 11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.743 0.497 12.022 1.00 0.00 H new ATOM 475 N VAL A 34 -5.137 0.027 7.222 1.00 0.00 N ATOM 476 CA VAL A 34 -5.402 0.978 6.172 1.00 0.00 C ATOM 477 C VAL A 34 -6.565 0.541 5.330 1.00 0.00 C ATOM 478 O VAL A 34 -7.498 1.310 5.115 1.00 0.00 O ATOM 479 CB VAL A 34 -4.158 1.204 5.327 1.00 0.00 C ATOM 480 CG1 VAL A 34 -4.469 2.142 4.175 1.00 0.00 C ATOM 481 CG2 VAL A 34 -3.058 1.755 6.226 1.00 0.00 C ATOM 0 H VAL A 34 -4.335 -0.578 7.046 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.671 1.929 6.632 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.818 0.265 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.570 2.295 3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.249 1.706 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.812 3.099 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.157 1.924 5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.385 2.697 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.844 1.039 7.020 1.00 0.00 H new ATOM 491 N ASP A 35 -6.526 -0.712 4.879 1.00 0.00 N ATOM 492 CA ASP A 35 -7.634 -1.236 4.088 1.00 0.00 C ATOM 493 C ASP A 35 -8.969 -0.837 4.727 1.00 0.00 C ATOM 494 O ASP A 35 -9.475 -1.525 5.613 1.00 0.00 O ATOM 495 CB ASP A 35 -7.572 -2.756 3.939 1.00 0.00 C ATOM 496 CG ASP A 35 -8.556 -3.271 2.908 1.00 0.00 C ATOM 497 OD1 ASP A 35 -8.331 -3.035 1.702 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.553 -3.910 3.306 1.00 0.00 O ATOM 0 H ASP A 35 -5.761 -1.366 5.042 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.552 -0.802 3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.562 -3.050 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.780 -3.222 4.902 1.00 0.00 H new ATOM 571 N ASP A 40 -12.163 -5.654 -2.118 1.00 0.00 N ATOM 572 CA ASP A 40 -12.604 -5.320 -3.474 1.00 0.00 C ATOM 573 C ASP A 40 -11.896 -4.069 -3.994 1.00 0.00 C ATOM 574 O ASP A 40 -10.961 -4.160 -4.788 1.00 0.00 O ATOM 575 CB ASP A 40 -14.121 -5.118 -3.506 1.00 0.00 C ATOM 576 CG ASP A 40 -14.815 -6.091 -4.440 1.00 0.00 C ATOM 577 OD1 ASP A 40 -14.861 -5.814 -5.657 1.00 0.00 O ATOM 578 OD2 ASP A 40 -15.310 -7.128 -3.955 1.00 0.00 O ATOM 0 HA ASP A 40 -12.342 -6.154 -4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.522 -5.237 -2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.342 -4.098 -3.819 1.00 0.00 H new ATOM 583 N GLN A 41 -12.336 -2.907 -3.528 1.00 0.00 N ATOM 584 CA GLN A 41 -11.729 -1.648 -3.934 1.00 0.00 C ATOM 585 C GLN A 41 -10.721 -1.188 -2.884 1.00 0.00 C ATOM 586 O GLN A 41 -9.788 -0.444 -3.183 1.00 0.00 O ATOM 587 CB GLN A 41 -12.803 -0.575 -4.132 1.00 0.00 C ATOM 588 CG GLN A 41 -13.768 -0.460 -2.963 1.00 0.00 C ATOM 589 CD GLN A 41 -15.138 -1.029 -3.278 1.00 0.00 C ATOM 590 OE1 GLN A 41 -15.363 -2.234 -3.168 1.00 0.00 O ATOM 591 NE2 GLN A 41 -16.063 -0.161 -3.672 1.00 0.00 N ATOM 0 H GLN A 41 -13.109 -2.811 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.211 -1.803 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.318 0.389 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.367 -0.799 -5.038 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.352 -0.981 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.870 0.588 -2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -15.833 0.830 -3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -17.004 -0.485 -3.897 1.00 0.00 H new ATOM 600 N ALA A 42 -10.926 -1.641 -1.650 1.00 0.00 N ATOM 601 CA ALA A 42 -10.047 -1.286 -0.541 1.00 0.00 C ATOM 602 C ALA A 42 -8.634 -1.822 -0.738 1.00 0.00 C ATOM 603 O ALA A 42 -7.653 -1.121 -0.488 1.00 0.00 O ATOM 604 CB ALA A 42 -10.626 -1.805 0.760 1.00 0.00 C ATOM 0 H ALA A 42 -11.697 -2.257 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.980 -0.199 -0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.966 -1.537 1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.608 -1.362 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.721 -2.890 0.709 1.00 0.00 H new ATOM 610 N ALA A 43 -8.536 -3.071 -1.174 1.00 0.00 N ATOM 611 CA ALA A 43 -7.242 -3.705 -1.390 1.00 0.00 C ATOM 612 C ALA A 43 -6.495 -3.070 -2.548 1.00 0.00 C ATOM 613 O ALA A 43 -5.264 -3.025 -2.554 1.00 0.00 O ATOM 614 CB ALA A 43 -7.413 -5.196 -1.639 1.00 0.00 C ATOM 0 H ALA A 43 -9.338 -3.665 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.652 -3.558 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.436 -5.653 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.892 -5.657 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.033 -5.349 -2.522 1.00 0.00 H new ATOM 620 N LYS A 44 -7.235 -2.601 -3.541 1.00 0.00 N ATOM 621 CA LYS A 44 -6.617 -1.999 -4.708 1.00 0.00 C ATOM 622 C LYS A 44 -5.964 -0.660 -4.379 1.00 0.00 C ATOM 623 O LYS A 44 -4.827 -0.423 -4.752 1.00 0.00 O ATOM 624 CB LYS A 44 -7.656 -1.808 -5.814 1.00 0.00 C ATOM 625 CG LYS A 44 -8.350 -3.096 -6.224 1.00 0.00 C ATOM 626 CD LYS A 44 -7.444 -3.972 -7.074 1.00 0.00 C ATOM 627 CE LYS A 44 -6.785 -5.063 -6.245 1.00 0.00 C ATOM 628 NZ LYS A 44 -5.778 -5.827 -7.031 1.00 0.00 N ATOM 0 H LYS A 44 -8.254 -2.626 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.835 -2.677 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.406 -1.092 -5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.170 -1.373 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.657 -3.645 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.257 -2.860 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.024 -4.425 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.676 -3.356 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.304 -4.617 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.548 -5.746 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.021 -6.156 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.236 -6.646 -7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.373 -5.213 -7.766 1.00 0.00 H new ATOM 642 N VAL A 45 -6.682 0.231 -3.714 1.00 0.00 N ATOM 643 CA VAL A 45 -6.127 1.539 -3.398 1.00 0.00 C ATOM 644 C VAL A 45 -5.037 1.522 -2.318 1.00 0.00 C ATOM 645 O VAL A 45 -3.979 2.130 -2.496 1.00 0.00 O ATOM 646 CB VAL A 45 -7.244 2.522 -2.971 1.00 0.00 C ATOM 647 CG1 VAL A 45 -8.427 2.417 -3.912 1.00 0.00 C ATOM 648 CG2 VAL A 45 -7.691 2.271 -1.537 1.00 0.00 C ATOM 0 H VAL A 45 -7.636 0.077 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.652 1.871 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.835 3.531 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.204 3.114 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.108 2.660 -4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.821 1.401 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.476 2.979 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.074 1.254 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.843 2.399 -0.864 1.00 0.00 H new ATOM 658 N THR A 46 -5.310 0.888 -1.176 1.00 0.00 N ATOM 659 CA THR A 46 -4.348 0.895 -0.074 1.00 0.00 C ATOM 660 C THR A 46 -3.090 0.072 -0.319 1.00 0.00 C ATOM 661 O THR A 46 -1.980 0.583 -0.207 1.00 0.00 O ATOM 662 CB THR A 46 -5.054 0.353 1.179 1.00 0.00 C ATOM 663 OG1 THR A 46 -5.926 1.329 1.718 1.00 0.00 O ATOM 664 CG2 THR A 46 -4.117 -0.089 2.296 1.00 0.00 C ATOM 0 H THR A 46 -6.171 0.373 -0.992 1.00 0.00 H new ATOM 0 HA THR A 46 -4.014 1.926 0.040 1.00 0.00 H new ATOM 0 HB THR A 46 -5.591 -0.528 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.809 0.931 1.870 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.703 -0.456 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.467 -0.884 1.932 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.510 0.757 2.618 1.00 0.00 H new ATOM 672 N GLY A 47 -3.267 -1.198 -0.630 1.00 0.00 N ATOM 673 CA GLY A 47 -2.127 -2.067 -0.836 1.00 0.00 C ATOM 674 C GLY A 47 -1.407 -1.918 -2.172 1.00 0.00 C ATOM 675 O GLY A 47 -0.228 -2.242 -2.265 1.00 0.00 O ATOM 0 H GLY A 47 -4.177 -1.645 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.409 -1.887 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.460 -3.100 -0.738 1.00 0.00 H new ATOM 679 N MET A 48 -2.090 -1.451 -3.218 1.00 0.00 N ATOM 680 CA MET A 48 -1.433 -1.303 -4.521 1.00 0.00 C ATOM 681 C MET A 48 -0.337 -0.254 -4.443 1.00 0.00 C ATOM 682 O MET A 48 0.790 -0.478 -4.884 1.00 0.00 O ATOM 683 CB MET A 48 -2.427 -0.921 -5.615 1.00 0.00 C ATOM 684 CG MET A 48 -3.293 -2.082 -6.081 1.00 0.00 C ATOM 685 SD MET A 48 -2.478 -3.099 -7.327 1.00 0.00 S ATOM 686 CE MET A 48 -2.969 -4.739 -6.800 1.00 0.00 C ATOM 0 H MET A 48 -3.072 -1.175 -3.194 1.00 0.00 H new ATOM 0 HA MET A 48 -0.999 -2.269 -4.778 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.071 -0.123 -5.247 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.880 -0.521 -6.469 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.553 -2.703 -5.224 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.226 -1.694 -6.488 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.120 -5.242 -6.336 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.783 -4.661 -6.079 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.304 -5.314 -7.664 1.00 0.00 H new ATOM 696 N LEU A 49 -0.675 0.886 -3.856 1.00 0.00 N ATOM 697 CA LEU A 49 0.278 1.972 -3.690 1.00 0.00 C ATOM 698 C LEU A 49 1.470 1.524 -2.853 1.00 0.00 C ATOM 699 O LEU A 49 2.504 2.191 -2.822 1.00 0.00 O ATOM 700 CB LEU A 49 -0.388 3.187 -3.043 1.00 0.00 C ATOM 701 CG LEU A 49 -1.108 4.138 -4.007 1.00 0.00 C ATOM 702 CD1 LEU A 49 -0.314 4.328 -5.290 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.507 3.622 -4.314 1.00 0.00 C ATOM 0 H LEU A 49 -1.605 1.082 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 49 0.634 2.256 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.107 2.834 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.372 3.752 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.193 5.110 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.850 5.007 -5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.664 4.748 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.185 3.365 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.005 4.308 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.438 2.636 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.080 3.553 -3.390 1.00 0.00 H new ATOM 715 N LEU A 50 1.310 0.405 -2.150 1.00 0.00 N ATOM 716 CA LEU A 50 2.360 -0.108 -1.288 1.00 0.00 C ATOM 717 C LEU A 50 3.676 -0.311 -2.048 1.00 0.00 C ATOM 718 O LEU A 50 4.742 -0.398 -1.439 1.00 0.00 O ATOM 719 CB LEU A 50 1.920 -1.418 -0.652 1.00 0.00 C ATOM 720 CG LEU A 50 1.159 -1.231 0.651 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.618 -2.556 1.179 1.00 0.00 C ATOM 722 CD2 LEU A 50 2.068 -0.559 1.675 1.00 0.00 C ATOM 0 H LEU A 50 0.461 -0.160 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 50 2.538 0.634 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.291 -1.962 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.798 -2.036 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 50 0.297 -0.591 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.080 -2.384 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.059 -2.991 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.446 -3.241 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.525 -0.424 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.943 -1.185 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.387 0.412 1.297 1.00 0.00 H new ATOM 734 N GLU A 51 3.607 -0.369 -3.375 1.00 0.00 N ATOM 735 CA GLU A 51 4.809 -0.537 -4.190 1.00 0.00 C ATOM 736 C GLU A 51 4.813 0.418 -5.386 1.00 0.00 C ATOM 737 O GLU A 51 5.765 0.438 -6.166 1.00 0.00 O ATOM 738 CB GLU A 51 4.949 -1.981 -4.676 1.00 0.00 C ATOM 739 CG GLU A 51 3.655 -2.584 -5.192 1.00 0.00 C ATOM 740 CD GLU A 51 3.630 -2.705 -6.703 1.00 0.00 C ATOM 741 OE1 GLU A 51 3.401 -1.679 -7.377 1.00 0.00 O ATOM 742 OE2 GLU A 51 3.838 -3.827 -7.212 1.00 0.00 O ATOM 0 H GLU A 51 2.739 -0.303 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 51 5.662 -0.297 -3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.696 -2.016 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.323 -2.595 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.517 -3.571 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.816 -1.968 -4.867 1.00 0.00 H new ATOM 749 N MET A 52 3.751 1.208 -5.527 1.00 0.00 N ATOM 750 CA MET A 52 3.649 2.159 -6.627 1.00 0.00 C ATOM 751 C MET A 52 4.549 3.369 -6.386 1.00 0.00 C ATOM 752 O MET A 52 5.583 3.521 -7.036 1.00 0.00 O ATOM 753 CB MET A 52 2.199 2.612 -6.810 1.00 0.00 C ATOM 754 CG MET A 52 1.233 1.468 -7.074 1.00 0.00 C ATOM 755 SD MET A 52 0.875 1.252 -8.828 1.00 0.00 S ATOM 756 CE MET A 52 0.229 -0.418 -8.839 1.00 0.00 C ATOM 0 H MET A 52 2.951 1.207 -4.894 1.00 0.00 H new ATOM 0 HA MET A 52 3.980 1.659 -7.537 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.879 3.148 -5.916 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.149 3.317 -7.640 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.653 0.544 -6.676 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.302 1.652 -6.537 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.841 -1.040 -9.492 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.250 -0.823 -7.827 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.798 -0.408 -9.204 1.00 0.00 H new ATOM 766 N ASP A 53 4.152 4.226 -5.448 1.00 0.00 N ATOM 767 CA ASP A 53 4.933 5.419 -5.127 1.00 0.00 C ATOM 768 C ASP A 53 5.464 5.352 -3.699 1.00 0.00 C ATOM 769 O ASP A 53 4.770 4.898 -2.793 1.00 0.00 O ATOM 770 CB ASP A 53 4.082 6.677 -5.311 1.00 0.00 C ATOM 771 CG ASP A 53 4.821 7.769 -6.058 1.00 0.00 C ATOM 772 OD1 ASP A 53 4.778 7.769 -7.307 1.00 0.00 O ATOM 773 OD2 ASP A 53 5.446 8.624 -5.396 1.00 0.00 O ATOM 0 H ASP A 53 3.299 4.118 -4.899 1.00 0.00 H new ATOM 0 HA ASP A 53 5.782 5.462 -5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.172 6.421 -5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.776 7.052 -4.334 1.00 0.00 H new ATOM 778 N GLN A 54 6.701 5.808 -3.509 1.00 0.00 N ATOM 779 CA GLN A 54 7.337 5.800 -2.192 1.00 0.00 C ATOM 780 C GLN A 54 6.539 6.627 -1.185 1.00 0.00 C ATOM 781 O GLN A 54 6.352 6.220 -0.039 1.00 0.00 O ATOM 782 CB GLN A 54 8.766 6.336 -2.289 1.00 0.00 C ATOM 783 CG GLN A 54 9.611 6.044 -1.061 1.00 0.00 C ATOM 784 CD GLN A 54 10.341 4.718 -1.156 1.00 0.00 C ATOM 785 OE1 GLN A 54 9.817 3.747 -1.700 1.00 0.00 O ATOM 786 NE2 GLN A 54 11.558 4.674 -0.627 1.00 0.00 N ATOM 0 H GLN A 54 7.285 6.189 -4.253 1.00 0.00 H new ATOM 0 HA GLN A 54 7.363 4.768 -1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.249 5.901 -3.164 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.731 7.414 -2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.337 6.845 -0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.972 6.040 -0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.953 5.505 -0.186 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.098 3.810 -0.662 1.00 0.00 H new ATOM 795 N THR A 55 6.070 7.786 -1.622 1.00 0.00 N ATOM 796 CA THR A 55 5.286 8.663 -0.766 1.00 0.00 C ATOM 797 C THR A 55 3.918 8.050 -0.494 1.00 0.00 C ATOM 798 O THR A 55 3.381 8.165 0.608 1.00 0.00 O ATOM 799 CB THR A 55 5.127 10.042 -1.411 1.00 0.00 C ATOM 800 OG1 THR A 55 4.143 10.801 -0.733 1.00 0.00 O ATOM 801 CG2 THR A 55 4.733 9.981 -2.872 1.00 0.00 C ATOM 0 H THR A 55 6.219 8.141 -2.566 1.00 0.00 H new ATOM 0 HA THR A 55 5.813 8.782 0.181 1.00 0.00 H new ATOM 0 HB THR A 55 6.109 10.509 -1.337 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.057 11.679 -1.159 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.638 10.993 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.498 9.444 -3.433 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.779 9.462 -2.970 1.00 0.00 H new ATOM 809 N GLU A 56 3.358 7.400 -1.510 1.00 0.00 N ATOM 810 CA GLU A 56 2.051 6.770 -1.384 1.00 0.00 C ATOM 811 C GLU A 56 2.134 5.498 -0.544 1.00 0.00 C ATOM 812 O GLU A 56 1.288 5.267 0.314 1.00 0.00 O ATOM 813 CB GLU A 56 1.467 6.455 -2.763 1.00 0.00 C ATOM 814 CG GLU A 56 0.732 7.628 -3.391 1.00 0.00 C ATOM 815 CD GLU A 56 1.664 8.748 -3.808 1.00 0.00 C ATOM 816 OE1 GLU A 56 2.237 8.663 -4.915 1.00 0.00 O ATOM 817 OE2 GLU A 56 1.821 9.710 -3.028 1.00 0.00 O ATOM 0 H GLU A 56 3.790 7.297 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 56 1.390 7.473 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.273 6.143 -3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.782 5.612 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.177 7.279 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.001 8.015 -2.681 1.00 0.00 H new ATOM 824 N VAL A 57 3.155 4.675 -0.783 1.00 0.00 N ATOM 825 CA VAL A 57 3.315 3.438 -0.019 1.00 0.00 C ATOM 826 C VAL A 57 3.401 3.748 1.467 1.00 0.00 C ATOM 827 O VAL A 57 2.735 3.121 2.289 1.00 0.00 O ATOM 828 CB VAL A 57 4.591 2.662 -0.438 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.807 3.569 -0.408 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.823 1.455 0.461 1.00 0.00 C ATOM 0 H VAL A 57 3.874 4.838 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 57 2.444 2.817 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 57 4.439 2.308 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.690 3.004 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.659 4.400 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.947 3.956 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.724 0.932 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.942 1.787 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.969 0.781 0.393 1.00 0.00 H new ATOM 840 N LEU A 58 4.224 4.730 1.795 1.00 0.00 N ATOM 841 CA LEU A 58 4.406 5.149 3.171 1.00 0.00 C ATOM 842 C LEU A 58 3.118 5.749 3.733 1.00 0.00 C ATOM 843 O LEU A 58 2.709 5.439 4.851 1.00 0.00 O ATOM 844 CB LEU A 58 5.554 6.168 3.242 1.00 0.00 C ATOM 845 CG LEU A 58 5.496 7.153 4.413 1.00 0.00 C ATOM 846 CD1 LEU A 58 5.574 6.412 5.738 1.00 0.00 C ATOM 847 CD2 LEU A 58 6.620 8.174 4.305 1.00 0.00 C ATOM 0 H LEU A 58 4.780 5.254 1.120 1.00 0.00 H new ATOM 0 HA LEU A 58 4.657 4.279 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.496 5.623 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.568 6.737 2.313 1.00 0.00 H new ATOM 0 HG LEU A 58 4.544 7.682 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.531 7.128 6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.736 5.719 5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.510 5.856 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.564 8.867 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.581 7.660 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.520 8.727 3.371 1.00 0.00 H new ATOM 859 N HIS A 59 2.512 6.633 2.953 1.00 0.00 N ATOM 860 CA HIS A 59 1.290 7.327 3.352 1.00 0.00 C ATOM 861 C HIS A 59 0.039 6.440 3.380 1.00 0.00 C ATOM 862 O HIS A 59 -0.791 6.576 4.279 1.00 0.00 O ATOM 863 CB HIS A 59 1.044 8.514 2.421 1.00 0.00 C ATOM 864 CG HIS A 59 2.004 9.645 2.626 1.00 0.00 C ATOM 865 ND1 HIS A 59 2.650 9.877 3.822 1.00 0.00 N ATOM 866 CD2 HIS A 59 2.430 10.613 1.779 1.00 0.00 C ATOM 867 CE1 HIS A 59 3.429 10.936 3.704 1.00 0.00 C ATOM 868 NE2 HIS A 59 3.315 11.401 2.474 1.00 0.00 N ATOM 0 H HIS A 59 2.851 6.891 2.026 1.00 0.00 H new ATOM 0 HA HIS A 59 1.456 7.656 4.378 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.111 8.174 1.387 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.028 8.879 2.572 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.130 10.741 0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.053 11.351 4.481 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.805 12.214 2.100 1.00 0.00 H new ATOM 876 N LEU A 60 -0.140 5.591 2.370 1.00 0.00 N ATOM 877 CA LEU A 60 -1.354 4.774 2.290 1.00 0.00 C ATOM 878 C LEU A 60 -1.469 3.725 3.391 1.00 0.00 C ATOM 879 O LEU A 60 -2.529 3.588 3.976 1.00 0.00 O ATOM 880 CB LEU A 60 -1.451 4.089 0.922 1.00 0.00 C ATOM 881 CG LEU A 60 -2.366 4.788 -0.087 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.779 4.919 0.469 1.00 0.00 C ATOM 883 CD2 LEU A 60 -1.801 6.156 -0.452 1.00 0.00 C ATOM 0 H LEU A 60 0.524 5.450 1.609 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.183 5.468 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.450 4.019 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.807 3.069 1.067 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.413 4.181 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.413 5.418 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.180 3.928 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.756 5.505 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.461 6.642 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.726 6.770 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.811 6.035 -0.893 1.00 0.00 H new ATOM 895 N LEU A 61 -0.399 3.001 3.692 1.00 0.00 N ATOM 896 CA LEU A 61 -0.454 1.978 4.741 1.00 0.00 C ATOM 897 C LEU A 61 0.053 2.538 6.064 1.00 0.00 C ATOM 898 O LEU A 61 0.755 1.859 6.812 1.00 0.00 O ATOM 899 CB LEU A 61 0.352 0.746 4.328 1.00 0.00 C ATOM 900 CG LEU A 61 -0.341 -0.163 3.301 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.503 -0.939 3.903 1.00 0.00 C ATOM 902 CD2 LEU A 61 -0.823 0.656 2.122 1.00 0.00 C ATOM 0 H LEU A 61 0.508 3.097 3.235 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.493 1.678 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.306 1.075 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.575 0.160 5.219 1.00 0.00 H new ATOM 0 HG LEU A 61 0.398 -0.892 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.958 -1.566 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.139 -1.567 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.246 -0.241 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.312 0.002 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.531 1.409 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.027 1.147 1.648 1.00 0.00 H new ATOM 914 N GLU A 62 -0.311 3.790 6.345 1.00 0.00 N ATOM 915 CA GLU A 62 0.103 4.454 7.577 1.00 0.00 C ATOM 916 C GLU A 62 -0.871 5.566 7.966 1.00 0.00 C ATOM 917 O GLU A 62 -1.243 5.689 9.132 1.00 0.00 O ATOM 918 CB GLU A 62 1.510 5.036 7.429 1.00 0.00 C ATOM 919 CG GLU A 62 2.583 3.992 7.167 1.00 0.00 C ATOM 920 CD GLU A 62 2.727 3.004 8.309 1.00 0.00 C ATOM 921 OE1 GLU A 62 2.301 3.333 9.435 1.00 0.00 O ATOM 922 OE2 GLU A 62 3.266 1.902 8.076 1.00 0.00 O ATOM 0 H GLU A 62 -0.892 4.363 5.734 1.00 0.00 H new ATOM 0 HA GLU A 62 0.104 3.703 8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.510 5.757 6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.764 5.584 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.343 3.451 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.538 4.491 7.001 1.00 0.00 H new ATOM 929 N SER A 63 -1.275 6.384 6.991 1.00 0.00 N ATOM 930 CA SER A 63 -2.194 7.486 7.263 1.00 0.00 C ATOM 931 C SER A 63 -3.525 7.299 6.538 1.00 0.00 C ATOM 932 O SER A 63 -3.581 6.698 5.466 1.00 0.00 O ATOM 933 CB SER A 63 -1.560 8.816 6.849 1.00 0.00 C ATOM 934 OG SER A 63 -0.147 8.716 6.807 1.00 0.00 O ATOM 0 H SER A 63 -0.983 6.304 6.017 1.00 0.00 H new ATOM 0 HA SER A 63 -2.392 7.495 8.335 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.936 9.113 5.870 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.852 9.596 7.552 1.00 0.00 H new ATOM 0 HG SER A 63 0.234 9.578 6.538 1.00 0.00 H new ATOM 940 N PRO A 64 -4.620 7.824 7.120 1.00 0.00 N ATOM 941 CA PRO A 64 -5.957 7.722 6.530 1.00 0.00 C ATOM 942 C PRO A 64 -6.147 8.690 5.368 1.00 0.00 C ATOM 943 O PRO A 64 -6.716 8.335 4.336 1.00 0.00 O ATOM 944 CB PRO A 64 -6.877 8.093 7.691 1.00 0.00 C ATOM 945 CG PRO A 64 -6.066 9.020 8.528 1.00 0.00 C ATOM 946 CD PRO A 64 -4.637 8.560 8.399 1.00 0.00 C ATOM 0 HA PRO A 64 -6.150 6.734 6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.789 8.573 7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.180 7.211 8.255 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.176 10.050 8.187 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.392 8.992 9.568 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.945 9.402 8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.345 7.921 9.233 1.00 0.00 H new ATOM 954 N ASP A 65 -5.655 9.915 5.539 1.00 0.00 N ATOM 955 CA ASP A 65 -5.759 10.937 4.501 1.00 0.00 C ATOM 956 C ASP A 65 -5.160 10.433 3.193 1.00 0.00 C ATOM 957 O ASP A 65 -5.533 10.875 2.106 1.00 0.00 O ATOM 958 CB ASP A 65 -5.047 12.217 4.954 1.00 0.00 C ATOM 959 CG ASP A 65 -3.542 12.161 4.757 1.00 0.00 C ATOM 960 OD1 ASP A 65 -2.916 11.191 5.234 1.00 0.00 O ATOM 961 OD2 ASP A 65 -2.990 13.087 4.127 1.00 0.00 O ATOM 0 H ASP A 65 -5.180 10.224 6.387 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.813 11.159 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.449 13.065 4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.264 12.393 6.008 1.00 0.00 H new ATOM 966 N ALA A 66 -4.227 9.500 3.319 1.00 0.00 N ATOM 967 CA ALA A 66 -3.558 8.914 2.168 1.00 0.00 C ATOM 968 C ALA A 66 -4.547 8.156 1.288 1.00 0.00 C ATOM 969 O ALA A 66 -4.416 8.129 0.065 1.00 0.00 O ATOM 970 CB ALA A 66 -2.448 7.986 2.634 1.00 0.00 C ATOM 0 H ALA A 66 -3.914 9.130 4.217 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.126 9.719 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.951 7.550 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.724 8.551 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.872 7.191 3.247 1.00 0.00 H new ATOM 976 N LEU A 67 -5.531 7.531 1.927 1.00 0.00 N ATOM 977 CA LEU A 67 -6.545 6.754 1.223 1.00 0.00 C ATOM 978 C LEU A 67 -7.394 7.620 0.297 1.00 0.00 C ATOM 979 O LEU A 67 -7.657 7.247 -0.843 1.00 0.00 O ATOM 980 CB LEU A 67 -7.452 6.062 2.239 1.00 0.00 C ATOM 981 CG LEU A 67 -6.733 5.152 3.230 1.00 0.00 C ATOM 982 CD1 LEU A 67 -7.658 4.771 4.376 1.00 0.00 C ATOM 983 CD2 LEU A 67 -6.212 3.911 2.524 1.00 0.00 C ATOM 0 H LEU A 67 -5.648 7.548 2.940 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.028 6.018 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.995 6.824 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.194 5.473 1.700 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.884 5.694 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.127 4.122 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.983 5.672 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.528 4.246 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.701 3.271 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.046 3.367 2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.514 4.205 1.740 1.00 0.00 H new ATOM 995 N LYS A 68 -7.829 8.768 0.799 1.00 0.00 N ATOM 996 CA LYS A 68 -8.672 9.677 0.026 1.00 0.00 C ATOM 997 C LYS A 68 -8.035 10.048 -1.310 1.00 0.00 C ATOM 998 O LYS A 68 -8.732 10.235 -2.308 1.00 0.00 O ATOM 999 CB LYS A 68 -8.951 10.944 0.837 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.325 10.956 1.489 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.265 11.928 0.795 1.00 0.00 C ATOM 1002 CE LYS A 68 -12.343 12.430 1.740 1.00 0.00 C ATOM 1003 NZ LYS A 68 -12.000 13.758 2.320 1.00 0.00 N ATOM 0 H LYS A 68 -7.612 9.095 1.741 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.608 9.160 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.190 11.046 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.860 11.812 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.751 9.953 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.228 11.230 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.696 12.773 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.729 11.438 -0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.290 12.501 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.485 11.708 2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.761 14.065 2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.110 13.685 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.890 14.453 1.554 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.720 10.177 -1.316 1.00 0.00 N ATOM 1018 CA ALA A 69 -5.989 10.556 -2.520 1.00 0.00 C ATOM 1019 C ALA A 69 -6.013 9.482 -3.603 1.00 0.00 C ATOM 1020 O ALA A 69 -6.341 9.754 -4.758 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.551 10.796 -2.141 1.00 0.00 C ATOM 0 H ALA A 69 -6.131 10.025 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.473 11.445 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.984 11.081 -3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.498 11.596 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.129 9.884 -1.718 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.631 8.268 -3.227 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.571 7.161 -4.171 1.00 0.00 C ATOM 1029 C LYS A 70 -6.940 6.568 -4.435 1.00 0.00 C ATOM 1030 O LYS A 70 -7.218 6.098 -5.535 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.628 6.074 -3.654 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.331 6.617 -3.074 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.659 7.602 -4.021 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.359 6.971 -5.371 1.00 0.00 C ATOM 1035 NZ LYS A 70 -3.248 7.500 -6.444 1.00 0.00 N ATOM 0 H LYS A 70 -5.358 8.026 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.191 7.557 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.143 5.492 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.393 5.391 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.535 7.109 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.651 5.791 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.304 8.470 -4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.732 7.962 -3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.319 7.160 -5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.479 5.890 -5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.697 7.636 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.017 6.823 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.651 8.411 -6.144 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.788 6.571 -3.422 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.126 5.999 -3.573 1.00 0.00 C ATOM 1051 C VAL A 71 -9.915 6.697 -4.675 1.00 0.00 C ATOM 1052 O VAL A 71 -10.499 6.043 -5.535 1.00 0.00 O ATOM 1053 CB VAL A 71 -9.948 6.041 -2.268 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.280 5.218 -1.177 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.173 7.474 -1.815 1.00 0.00 C ATOM 0 H VAL A 71 -7.585 6.954 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.964 4.955 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.923 5.597 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.879 5.264 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.195 4.181 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.286 5.618 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.755 7.477 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.211 7.955 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.715 8.019 -2.588 1.00 0.00 H new ATOM 1065 N ALA A 72 -9.937 8.024 -4.651 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.672 8.781 -5.657 1.00 0.00 C ATOM 1067 C ALA A 72 -10.184 8.451 -7.065 1.00 0.00 C ATOM 1068 O ALA A 72 -10.984 8.211 -7.968 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.547 10.272 -5.389 1.00 0.00 C ATOM 0 H ALA A 72 -9.459 8.594 -3.953 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.722 8.497 -5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.100 10.826 -6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.954 10.500 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.497 10.561 -5.423 1.00 0.00 H new ATOM 1075 N GLU A 73 -8.868 8.439 -7.244 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.277 8.136 -8.542 1.00 0.00 C ATOM 1077 C GLU A 73 -8.380 6.648 -8.879 1.00 0.00 C ATOM 1078 O GLU A 73 -8.803 6.275 -9.973 1.00 0.00 O ATOM 1079 CB GLU A 73 -6.810 8.571 -8.567 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.621 10.077 -8.472 1.00 0.00 C ATOM 1081 CD GLU A 73 -7.272 10.820 -9.621 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -6.773 10.706 -10.760 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -8.281 11.516 -9.381 1.00 0.00 O ATOM 0 H GLU A 73 -8.191 8.635 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.837 8.690 -9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.284 8.094 -7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.349 8.212 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.039 10.433 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.555 10.305 -8.454 1.00 0.00 H new ATOM 1090 N ALA A 74 -7.961 5.807 -7.938 1.00 0.00 N ATOM 1091 CA ALA A 74 -7.970 4.359 -8.128 1.00 0.00 C ATOM 1092 C ALA A 74 -9.379 3.773 -8.189 1.00 0.00 C ATOM 1093 O ALA A 74 -9.710 3.038 -9.118 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.175 3.688 -7.020 1.00 0.00 C ATOM 0 H ALA A 74 -7.608 6.106 -7.029 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.506 4.163 -9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.186 2.608 -7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.146 4.047 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.622 3.927 -6.055 1.00 0.00 H new ATOM 1100 N MET A 75 -10.202 4.072 -7.189 1.00 0.00 N ATOM 1101 CA MET A 75 -11.555 3.541 -7.144 1.00 0.00 C ATOM 1102 C MET A 75 -12.363 3.956 -8.367 1.00 0.00 C ATOM 1103 O MET A 75 -13.128 3.163 -8.908 1.00 0.00 O ATOM 1104 CB MET A 75 -12.264 4.003 -5.872 1.00 0.00 C ATOM 1105 CG MET A 75 -11.554 3.592 -4.591 1.00 0.00 C ATOM 1106 SD MET A 75 -12.675 2.878 -3.372 1.00 0.00 S ATOM 1107 CE MET A 75 -11.508 2.163 -2.216 1.00 0.00 C ATOM 0 H MET A 75 -9.956 4.676 -6.405 1.00 0.00 H new ATOM 0 HA MET A 75 -11.481 2.454 -7.143 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.357 5.089 -5.893 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.275 3.597 -5.863 1.00 0.00 H new ATOM 0 HG2 MET A 75 -10.774 2.869 -4.829 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.060 4.462 -4.159 1.00 0.00 H new ATOM 0 HE1 MET A 75 -12.028 1.466 -1.559 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.730 1.632 -2.765 1.00 0.00 H new ATOM 0 HE3 MET A 75 -11.055 2.955 -1.620 1.00 0.00 H new