USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=8 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 41 GLN : amide:sc= 0.44 K(o=0.44,f=-7.5!) USER MOD Set 1.2: A 75 MET CE :methyl -140:sc= -0.0011 (180deg=-0.0924) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.0152 USER MOD Single : A 22 GLN : amide:sc= -20.8! C(o=-21!,f=-11!) USER MOD Single : A 24 MET CE :methyl -151:sc= -0.227 (180deg=-1.28) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 31 TYR OH : rot 92:sc= 0.0539 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 133:sc= -4.83! USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-5.1!) 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+ -120:sc=-0.00389 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 215 N PRO A 18 12.563 -5.657 -2.955 1.00 0.00 N ATOM 216 CA PRO A 18 11.848 -4.638 -3.731 1.00 0.00 C ATOM 217 C PRO A 18 10.601 -4.129 -3.012 1.00 0.00 C ATOM 218 O PRO A 18 10.176 -4.702 -2.008 1.00 0.00 O ATOM 219 CB PRO A 18 11.460 -5.368 -5.022 1.00 0.00 C ATOM 220 CG PRO A 18 11.509 -6.816 -4.678 1.00 0.00 C ATOM 221 CD PRO A 18 12.593 -6.956 -3.648 1.00 0.00 C ATOM 0 HA PRO A 18 12.463 -3.754 -3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.465 -5.076 -5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.150 -5.131 -5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.551 -7.157 -4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.726 -7.420 -5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.396 -7.782 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.563 -7.146 -4.107 1.00 0.00 H new ATOM 229 N PRO A 19 9.995 -3.042 -3.520 1.00 0.00 N ATOM 230 CA PRO A 19 8.790 -2.454 -2.924 1.00 0.00 C ATOM 231 C PRO A 19 7.616 -3.428 -2.909 1.00 0.00 C ATOM 232 O PRO A 19 6.806 -3.423 -1.982 1.00 0.00 O ATOM 233 CB PRO A 19 8.480 -1.256 -3.831 1.00 0.00 C ATOM 234 CG PRO A 19 9.208 -1.530 -5.101 1.00 0.00 C ATOM 235 CD PRO A 19 10.435 -2.302 -4.714 1.00 0.00 C ATOM 0 HA PRO A 19 8.949 -2.181 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.408 -1.160 -4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.815 -0.322 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.588 -2.102 -5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.474 -0.602 -5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.757 -2.974 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.275 -1.643 -4.494 1.00 0.00 H new ATOM 243 N GLU A 20 7.530 -4.259 -3.941 1.00 0.00 N ATOM 244 CA GLU A 20 6.453 -5.239 -4.047 1.00 0.00 C ATOM 245 C GLU A 20 6.510 -6.233 -2.892 1.00 0.00 C ATOM 246 O GLU A 20 5.474 -6.720 -2.421 1.00 0.00 O ATOM 247 CB GLU A 20 6.540 -5.983 -5.381 1.00 0.00 C ATOM 248 CG GLU A 20 6.833 -5.076 -6.565 1.00 0.00 C ATOM 249 CD GLU A 20 5.702 -5.050 -7.576 1.00 0.00 C ATOM 250 OE1 GLU A 20 4.964 -6.053 -7.667 1.00 0.00 O ATOM 251 OE2 GLU A 20 5.555 -4.027 -8.275 1.00 0.00 O ATOM 0 H GLU A 20 8.192 -4.275 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 20 5.503 -4.706 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.319 -6.742 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.600 -6.506 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.017 -4.064 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.747 -5.410 -7.056 1.00 0.00 H new ATOM 258 N THR A 21 7.724 -6.529 -2.435 1.00 0.00 N ATOM 259 CA THR A 21 7.906 -7.465 -1.335 1.00 0.00 C ATOM 260 C THR A 21 7.255 -6.915 -0.083 1.00 0.00 C ATOM 261 O THR A 21 6.478 -7.602 0.581 1.00 0.00 O ATOM 262 CB THR A 21 9.396 -7.723 -1.091 1.00 0.00 C ATOM 263 OG1 THR A 21 9.966 -8.426 -2.181 1.00 0.00 O ATOM 264 CG2 THR A 21 9.670 -8.524 0.165 1.00 0.00 C ATOM 0 H THR A 21 8.589 -6.137 -2.807 1.00 0.00 H new ATOM 0 HA THR A 21 7.434 -8.412 -1.595 1.00 0.00 H new ATOM 0 HB THR A 21 9.845 -6.736 -0.976 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.799 -8.855 -1.894 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.744 -8.670 0.276 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.285 -7.986 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.178 -9.494 0.093 1.00 0.00 H new ATOM 272 N GLN A 22 7.528 -5.655 0.203 1.00 0.00 N ATOM 273 CA GLN A 22 6.912 -5.004 1.346 1.00 0.00 C ATOM 274 C GLN A 22 5.445 -4.826 1.055 1.00 0.00 C ATOM 275 O GLN A 22 4.593 -5.093 1.896 1.00 0.00 O ATOM 276 CB GLN A 22 7.516 -3.625 1.635 1.00 0.00 C ATOM 277 CG GLN A 22 6.593 -2.724 2.464 1.00 0.00 C ATOM 278 CD GLN A 22 5.461 -2.103 1.642 1.00 0.00 C ATOM 279 OE1 GLN A 22 5.708 -1.241 0.799 1.00 0.00 O ATOM 280 NE2 GLN A 22 4.209 -2.535 1.879 1.00 0.00 N ATOM 0 H GLN A 22 8.165 -5.067 -0.334 1.00 0.00 H new ATOM 0 HA GLN A 22 7.084 -5.633 2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.460 -3.753 2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.744 -3.130 0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.164 -3.306 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.184 -1.928 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.042 -3.251 2.586 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.427 -2.146 1.352 1.00 0.00 H new ATOM 289 N ARG A 23 5.178 -4.320 -0.148 1.00 0.00 N ATOM 290 CA ARG A 23 3.834 -4.033 -0.600 1.00 0.00 C ATOM 291 C ARG A 23 2.798 -4.793 0.209 1.00 0.00 C ATOM 292 O ARG A 23 2.292 -4.289 1.206 1.00 0.00 O ATOM 293 CB ARG A 23 3.690 -4.338 -2.092 1.00 0.00 C ATOM 294 CG ARG A 23 2.300 -4.053 -2.622 1.00 0.00 C ATOM 295 CD ARG A 23 1.752 -5.216 -3.436 1.00 0.00 C ATOM 296 NE ARG A 23 1.550 -4.857 -4.838 1.00 0.00 N ATOM 297 CZ ARG A 23 1.422 -5.747 -5.820 1.00 0.00 C ATOM 298 NH1 ARG A 23 1.473 -7.047 -5.559 1.00 0.00 N ATOM 299 NH2 ARG A 23 1.241 -5.334 -7.067 1.00 0.00 N ATOM 0 H ARG A 23 5.899 -4.099 -0.835 1.00 0.00 H new ATOM 0 HA ARG A 23 3.653 -2.969 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.415 -3.745 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.932 -5.386 -2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.629 -3.846 -1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.325 -3.156 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.441 -6.058 -3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.806 -5.545 -3.006 1.00 0.00 H new ATOM 0 HE ARG A 23 1.504 -3.867 -5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.611 -7.370 -4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.374 -7.723 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.200 -4.336 -7.273 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.143 -6.015 -7.820 1.00 0.00 H new ATOM 313 N MET A 24 2.497 -6.007 -0.202 1.00 0.00 N ATOM 314 CA MET A 24 1.521 -6.804 0.512 1.00 0.00 C ATOM 315 C MET A 24 1.929 -7.005 1.972 1.00 0.00 C ATOM 316 O MET A 24 1.075 -7.064 2.852 1.00 0.00 O ATOM 317 CB MET A 24 1.321 -8.156 -0.176 1.00 0.00 C ATOM 318 CG MET A 24 0.276 -9.031 0.498 1.00 0.00 C ATOM 319 SD MET A 24 0.972 -10.549 1.181 1.00 0.00 S ATOM 320 CE MET A 24 1.754 -11.248 -0.271 1.00 0.00 C ATOM 0 H MET A 24 2.909 -6.460 -1.018 1.00 0.00 H new ATOM 0 HA MET A 24 0.576 -6.262 0.498 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.029 -7.988 -1.212 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.272 -8.689 -0.196 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.205 -8.466 1.296 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.500 -9.285 -0.224 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.769 -12.335 -0.189 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.194 -10.959 -1.160 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.776 -10.876 -0.349 1.00 0.00 H new ATOM 330 N MET A 25 3.230 -7.134 2.223 1.00 0.00 N ATOM 331 CA MET A 25 3.720 -7.354 3.584 1.00 0.00 C ATOM 332 C MET A 25 3.277 -6.244 4.543 1.00 0.00 C ATOM 333 O MET A 25 2.719 -6.535 5.602 1.00 0.00 O ATOM 334 CB MET A 25 5.245 -7.463 3.587 1.00 0.00 C ATOM 335 CG MET A 25 5.757 -8.846 3.219 1.00 0.00 C ATOM 336 SD MET A 25 5.822 -9.962 4.634 1.00 0.00 S ATOM 337 CE MET A 25 6.533 -11.422 3.879 1.00 0.00 C ATOM 0 H MET A 25 3.959 -7.091 1.510 1.00 0.00 H new ATOM 0 HA MET A 25 3.285 -8.289 3.936 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.654 -6.735 2.887 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.618 -7.198 4.576 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.113 -9.275 2.452 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.753 -8.757 2.785 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.637 -12.206 4.629 1.00 0.00 H new ATOM 0 HE2 MET A 25 5.882 -11.771 3.078 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.514 -11.179 3.470 1.00 0.00 H new ATOM 347 N LEU A 26 3.493 -4.974 4.181 1.00 0.00 N ATOM 348 CA LEU A 26 3.061 -3.879 5.053 1.00 0.00 C ATOM 349 C LEU A 26 1.544 -3.843 5.079 1.00 0.00 C ATOM 350 O LEU A 26 0.937 -3.837 6.144 1.00 0.00 O ATOM 351 CB LEU A 26 3.625 -2.531 4.607 1.00 0.00 C ATOM 352 CG LEU A 26 3.692 -1.468 5.699 1.00 0.00 C ATOM 353 CD1 LEU A 26 4.848 -1.748 6.647 1.00 0.00 C ATOM 354 CD2 LEU A 26 3.825 -0.082 5.086 1.00 0.00 C ATOM 0 H LEU A 26 3.951 -4.685 3.316 1.00 0.00 H new ATOM 0 HA LEU A 26 3.448 -4.062 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.628 -2.687 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.014 -2.151 3.788 1.00 0.00 H new ATOM 0 HG LEU A 26 2.765 -1.503 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.880 -0.979 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.709 -2.724 7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.785 -1.742 6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.871 0.664 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.736 -0.034 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.963 0.119 4.449 1.00 0.00 H new ATOM 366 N GLY A 27 0.932 -3.884 3.893 1.00 0.00 N ATOM 367 CA GLY A 27 -0.489 -3.920 3.806 1.00 0.00 C ATOM 368 C GLY A 27 -1.021 -5.096 4.592 1.00 0.00 C ATOM 369 O GLY A 27 -2.119 -5.054 5.107 1.00 0.00 O ATOM 0 H GLY A 27 1.416 -3.892 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.910 -2.992 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.797 -3.999 2.763 1.00 0.00 H new ATOM 373 N GLU A 28 -0.231 -6.143 4.733 1.00 0.00 N ATOM 374 CA GLU A 28 -0.682 -7.282 5.507 1.00 0.00 C ATOM 375 C GLU A 28 -1.086 -6.806 6.898 1.00 0.00 C ATOM 376 O GLU A 28 -2.143 -7.174 7.416 1.00 0.00 O ATOM 377 CB GLU A 28 0.423 -8.337 5.609 1.00 0.00 C ATOM 378 CG GLU A 28 -0.099 -9.764 5.637 1.00 0.00 C ATOM 379 CD GLU A 28 -0.921 -10.060 6.875 1.00 0.00 C ATOM 380 OE1 GLU A 28 -0.324 -10.408 7.915 1.00 0.00 O ATOM 381 OE2 GLU A 28 -2.163 -9.944 6.806 1.00 0.00 O ATOM 0 H GLU A 28 0.703 -6.229 4.333 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.539 -7.738 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.101 -8.224 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.006 -8.154 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.708 -9.942 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.742 -10.456 5.590 1.00 0.00 H new ATOM 388 N ASN A 29 -0.251 -5.950 7.481 1.00 0.00 N ATOM 389 CA ASN A 29 -0.529 -5.403 8.808 1.00 0.00 C ATOM 390 C ASN A 29 -1.219 -4.044 8.720 1.00 0.00 C ATOM 391 O ASN A 29 -2.210 -3.784 9.411 1.00 0.00 O ATOM 392 CB ASN A 29 0.768 -5.274 9.608 1.00 0.00 C ATOM 393 CG ASN A 29 0.536 -5.365 11.104 1.00 0.00 C ATOM 394 OD1 ASN A 29 -0.407 -4.775 11.634 1.00 0.00 O ATOM 395 ND2 ASN A 29 1.396 -6.104 11.792 1.00 0.00 N ATOM 0 H ASN A 29 0.618 -5.621 7.060 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.203 -6.093 9.316 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.460 -6.059 9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.243 -4.321 9.374 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.291 -6.201 12.802 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.162 -6.575 11.311 1.00 0.00 H new ATOM 402 N LEU A 30 -0.692 -3.174 7.873 1.00 0.00 N ATOM 403 CA LEU A 30 -1.253 -1.844 7.713 1.00 0.00 C ATOM 404 C LEU A 30 -2.478 -1.836 6.795 1.00 0.00 C ATOM 405 O LEU A 30 -3.369 -1.020 6.986 1.00 0.00 O ATOM 406 CB LEU A 30 -0.184 -0.875 7.212 1.00 0.00 C ATOM 407 CG LEU A 30 0.785 -0.389 8.296 1.00 0.00 C ATOM 408 CD1 LEU A 30 2.015 0.258 7.677 1.00 0.00 C ATOM 409 CD2 LEU A 30 0.084 0.579 9.242 1.00 0.00 C ATOM 0 H LEU A 30 0.121 -3.365 7.288 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.596 -1.513 8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.388 -1.360 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.675 -0.010 6.766 1.00 0.00 H new ATOM 0 HG LEU A 30 1.115 -1.255 8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.686 0.594 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.530 -0.468 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.711 1.112 7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.786 0.914 10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.278 1.439 8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.758 0.077 9.719 1.00 0.00 H new ATOM 421 N TYR A 31 -2.544 -2.745 5.815 1.00 0.00 N ATOM 422 CA TYR A 31 -3.708 -2.794 4.927 1.00 0.00 C ATOM 423 C TYR A 31 -4.945 -3.053 5.762 1.00 0.00 C ATOM 424 O TYR A 31 -5.924 -2.345 5.629 1.00 0.00 O ATOM 425 CB TYR A 31 -3.570 -3.833 3.792 1.00 0.00 C ATOM 426 CG TYR A 31 -4.850 -4.556 3.411 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.365 -5.567 4.215 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.536 -4.236 2.246 1.00 0.00 C ATOM 429 CE1 TYR A 31 -6.524 -6.235 3.872 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.699 -4.901 1.900 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.187 -5.897 2.716 1.00 0.00 C ATOM 432 OH TYR A 31 -8.341 -6.560 2.372 1.00 0.00 O ATOM 0 H TYR A 31 -1.823 -3.440 5.620 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.788 -1.830 4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.180 -3.330 2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.829 -4.575 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.849 -5.835 5.125 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.156 -3.457 1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.908 -7.019 4.508 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.223 -4.640 0.992 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.115 -6.076 2.729 1.00 0.00 H new ATOM 442 N PRO A 32 -4.927 -4.018 6.692 1.00 0.00 N ATOM 443 CA PRO A 32 -6.087 -4.231 7.530 1.00 0.00 C ATOM 444 C PRO A 32 -6.440 -2.934 8.242 1.00 0.00 C ATOM 445 O PRO A 32 -7.612 -2.644 8.482 1.00 0.00 O ATOM 446 CB PRO A 32 -5.639 -5.290 8.541 1.00 0.00 C ATOM 447 CG PRO A 32 -4.450 -5.940 7.928 1.00 0.00 C ATOM 448 CD PRO A 32 -3.816 -4.913 7.030 1.00 0.00 C ATOM 0 HA PRO A 32 -6.967 -4.546 6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.389 -4.837 9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.431 -6.015 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.749 -6.269 8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.741 -6.824 7.361 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.011 -4.380 7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.385 -5.370 6.140 1.00 0.00 H new ATOM 456 N LEU A 33 -5.412 -2.134 8.550 1.00 0.00 N ATOM 457 CA LEU A 33 -5.637 -0.854 9.198 1.00 0.00 C ATOM 458 C LEU A 33 -6.096 0.172 8.181 1.00 0.00 C ATOM 459 O LEU A 33 -7.082 0.879 8.383 1.00 0.00 O ATOM 460 CB LEU A 33 -4.360 -0.372 9.890 1.00 0.00 C ATOM 461 CG LEU A 33 -4.582 0.581 11.066 1.00 0.00 C ATOM 462 CD1 LEU A 33 -4.913 -0.197 12.330 1.00 0.00 C ATOM 463 CD2 LEU A 33 -3.354 1.454 11.282 1.00 0.00 C ATOM 0 H LEU A 33 -4.434 -2.353 8.361 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.415 -0.979 9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.807 -1.241 10.246 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.731 0.126 9.152 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.428 1.227 10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.067 0.498 13.155 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.821 -0.779 12.172 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.089 -0.868 12.571 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.529 2.126 12.122 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.492 0.822 11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.161 2.039 10.383 1.00 0.00 H new ATOM 475 N VAL A 34 -5.367 0.224 7.067 1.00 0.00 N ATOM 476 CA VAL A 34 -5.691 1.134 5.994 1.00 0.00 C ATOM 477 C VAL A 34 -6.862 0.627 5.209 1.00 0.00 C ATOM 478 O VAL A 34 -7.830 1.349 4.992 1.00 0.00 O ATOM 479 CB VAL A 34 -4.491 1.370 5.095 1.00 0.00 C ATOM 480 CG1 VAL A 34 -4.807 2.474 4.101 1.00 0.00 C ATOM 481 CG2 VAL A 34 -3.294 1.721 5.963 1.00 0.00 C ATOM 0 H VAL A 34 -4.548 -0.359 6.894 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.966 2.093 6.434 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.255 0.471 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.944 2.642 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.663 2.182 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.041 3.392 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.424 1.893 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.511 2.623 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.087 0.898 6.648 1.00 0.00 H new ATOM 491 N ASP A 35 -6.782 -0.639 4.815 1.00 0.00 N ATOM 492 CA ASP A 35 -7.874 -1.270 4.080 1.00 0.00 C ATOM 493 C ASP A 35 -9.235 -0.838 4.640 1.00 0.00 C ATOM 494 O ASP A 35 -9.771 -1.479 5.544 1.00 0.00 O ATOM 495 CB ASP A 35 -7.780 -2.793 4.136 1.00 0.00 C ATOM 496 CG ASP A 35 -8.854 -3.469 3.304 1.00 0.00 C ATOM 497 OD1 ASP A 35 -8.864 -3.266 2.072 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.683 -4.200 3.885 1.00 0.00 O ATOM 0 H ASP A 35 -5.980 -1.245 4.990 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.785 -0.945 3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.798 -3.107 3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.866 -3.122 5.172 1.00 0.00 H new ATOM 571 N ASP A 40 -11.731 -6.264 -2.112 1.00 0.00 N ATOM 572 CA ASP A 40 -12.059 -6.126 -3.533 1.00 0.00 C ATOM 573 C ASP A 40 -11.372 -4.909 -4.145 1.00 0.00 C ATOM 574 O ASP A 40 -10.413 -5.042 -4.905 1.00 0.00 O ATOM 575 CB ASP A 40 -13.574 -6.018 -3.720 1.00 0.00 C ATOM 576 CG ASP A 40 -14.295 -7.297 -3.343 1.00 0.00 C ATOM 577 OD1 ASP A 40 -13.643 -8.362 -3.321 1.00 0.00 O ATOM 578 OD2 ASP A 40 -15.513 -7.234 -3.070 1.00 0.00 O ATOM 0 HA ASP A 40 -11.696 -7.016 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.955 -5.197 -3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.793 -5.774 -4.760 1.00 0.00 H new ATOM 583 N GLN A 41 -11.859 -3.727 -3.796 1.00 0.00 N ATOM 584 CA GLN A 41 -11.279 -2.484 -4.296 1.00 0.00 C ATOM 585 C GLN A 41 -10.469 -1.800 -3.200 1.00 0.00 C ATOM 586 O GLN A 41 -9.601 -0.972 -3.477 1.00 0.00 O ATOM 587 CB GLN A 41 -12.369 -1.536 -4.817 1.00 0.00 C ATOM 588 CG GLN A 41 -13.761 -1.826 -4.275 1.00 0.00 C ATOM 589 CD GLN A 41 -13.868 -1.581 -2.782 1.00 0.00 C ATOM 590 OE1 GLN A 41 -13.475 -2.422 -1.974 1.00 0.00 O ATOM 591 NE2 GLN A 41 -14.403 -0.425 -2.410 1.00 0.00 N ATOM 0 H GLN A 41 -12.654 -3.600 -3.169 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.617 -2.731 -5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.097 -0.512 -4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.396 -1.595 -5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.487 -1.201 -4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -14.022 -2.863 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.715 0.243 -3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -14.502 -0.204 -1.419 1.00 0.00 H new ATOM 600 N ALA A 42 -10.758 -2.160 -1.952 1.00 0.00 N ATOM 601 CA ALA A 42 -10.059 -1.593 -0.805 1.00 0.00 C ATOM 602 C ALA A 42 -8.582 -1.964 -0.824 1.00 0.00 C ATOM 603 O ALA A 42 -7.715 -1.127 -0.576 1.00 0.00 O ATOM 604 CB ALA A 42 -10.706 -2.071 0.479 1.00 0.00 C ATOM 0 H ALA A 42 -11.474 -2.845 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.132 -0.507 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.179 -1.644 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.749 -1.755 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.656 -3.159 0.529 1.00 0.00 H new ATOM 610 N ALA A 43 -8.306 -3.227 -1.127 1.00 0.00 N ATOM 611 CA ALA A 43 -6.938 -3.718 -1.185 1.00 0.00 C ATOM 612 C ALA A 43 -6.186 -3.084 -2.341 1.00 0.00 C ATOM 613 O ALA A 43 -4.973 -2.881 -2.274 1.00 0.00 O ATOM 614 CB ALA A 43 -6.926 -5.234 -1.321 1.00 0.00 C ATOM 0 H ALA A 43 -9.015 -3.930 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.438 -3.442 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.896 -5.587 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.428 -5.680 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.446 -5.521 -2.235 1.00 0.00 H new ATOM 620 N LYS A 44 -6.911 -2.791 -3.410 1.00 0.00 N ATOM 621 CA LYS A 44 -6.313 -2.199 -4.590 1.00 0.00 C ATOM 622 C LYS A 44 -5.753 -0.807 -4.309 1.00 0.00 C ATOM 623 O LYS A 44 -4.635 -0.505 -4.690 1.00 0.00 O ATOM 624 CB LYS A 44 -7.339 -2.122 -5.721 1.00 0.00 C ATOM 625 CG LYS A 44 -7.906 -3.475 -6.122 1.00 0.00 C ATOM 626 CD LYS A 44 -7.585 -3.811 -7.571 1.00 0.00 C ATOM 627 CE LYS A 44 -8.737 -4.543 -8.241 1.00 0.00 C ATOM 628 NZ LYS A 44 -8.805 -4.254 -9.700 1.00 0.00 N ATOM 0 H LYS A 44 -7.915 -2.955 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.484 -2.840 -4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.158 -1.471 -5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.874 -1.660 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.499 -4.248 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.987 -3.474 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.367 -2.894 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.687 -4.428 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.623 -5.616 -8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.675 -4.252 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.603 -4.772 -10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.939 -3.233 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.920 -4.555 -10.155 1.00 0.00 H new ATOM 642 N VAL A 45 -6.537 0.056 -3.679 1.00 0.00 N ATOM 643 CA VAL A 45 -6.081 1.415 -3.417 1.00 0.00 C ATOM 644 C VAL A 45 -4.972 1.517 -2.359 1.00 0.00 C ATOM 645 O VAL A 45 -3.955 2.173 -2.592 1.00 0.00 O ATOM 646 CB VAL A 45 -7.269 2.305 -2.984 1.00 0.00 C ATOM 647 CG1 VAL A 45 -8.440 2.112 -3.926 1.00 0.00 C ATOM 648 CG2 VAL A 45 -7.698 2.005 -1.558 1.00 0.00 C ATOM 0 H VAL A 45 -7.477 -0.155 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.653 1.761 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.938 3.343 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.270 2.744 -3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.141 2.385 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.753 1.068 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.535 2.649 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.003 0.961 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.864 2.190 -0.881 1.00 0.00 H new ATOM 658 N THR A 46 -5.171 0.911 -1.188 1.00 0.00 N ATOM 659 CA THR A 46 -4.177 1.018 -0.121 1.00 0.00 C ATOM 660 C THR A 46 -2.887 0.259 -0.394 1.00 0.00 C ATOM 661 O THR A 46 -1.796 0.819 -0.316 1.00 0.00 O ATOM 662 CB THR A 46 -4.793 0.483 1.185 1.00 0.00 C ATOM 663 OG1 THR A 46 -5.588 1.477 1.800 1.00 0.00 O ATOM 664 CG2 THR A 46 -3.769 -0.001 2.210 1.00 0.00 C ATOM 0 H THR A 46 -5.993 0.353 -0.957 1.00 0.00 H new ATOM 0 HA THR A 46 -3.911 2.073 -0.051 1.00 0.00 H new ATOM 0 HB THR A 46 -5.389 -0.378 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.448 1.090 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.286 -0.361 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.179 -0.811 1.781 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.110 0.823 2.483 1.00 0.00 H new ATOM 672 N GLY A 47 -3.023 -1.023 -0.673 1.00 0.00 N ATOM 673 CA GLY A 47 -1.861 -1.853 -0.890 1.00 0.00 C ATOM 674 C GLY A 47 -1.174 -1.695 -2.243 1.00 0.00 C ATOM 675 O GLY A 47 0.015 -1.976 -2.355 1.00 0.00 O ATOM 0 H GLY A 47 -3.918 -1.506 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.133 -1.638 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.156 -2.896 -0.773 1.00 0.00 H new ATOM 679 N MET A 48 -1.888 -1.256 -3.283 1.00 0.00 N ATOM 680 CA MET A 48 -1.245 -1.093 -4.590 1.00 0.00 C ATOM 681 C MET A 48 -0.162 -0.037 -4.493 1.00 0.00 C ATOM 682 O MET A 48 0.969 -0.244 -4.935 1.00 0.00 O ATOM 683 CB MET A 48 -2.244 -0.705 -5.679 1.00 0.00 C ATOM 684 CG MET A 48 -3.031 -1.884 -6.231 1.00 0.00 C ATOM 685 SD MET A 48 -2.105 -2.822 -7.461 1.00 0.00 S ATOM 686 CE MET A 48 -2.945 -4.402 -7.384 1.00 0.00 C ATOM 0 H MET A 48 -2.878 -1.014 -3.251 1.00 0.00 H new ATOM 0 HA MET A 48 -0.812 -2.054 -4.868 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.941 0.030 -5.276 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.709 -0.222 -6.496 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.311 -2.545 -5.411 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.957 -1.521 -6.678 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.486 -5.093 -8.091 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.865 -4.808 -6.376 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.996 -4.268 -7.639 1.00 0.00 H new ATOM 696 N LEU A 49 -0.511 1.091 -3.886 1.00 0.00 N ATOM 697 CA LEU A 49 0.436 2.176 -3.699 1.00 0.00 C ATOM 698 C LEU A 49 1.603 1.722 -2.829 1.00 0.00 C ATOM 699 O LEU A 49 2.650 2.368 -2.793 1.00 0.00 O ATOM 700 CB LEU A 49 -0.247 3.393 -3.075 1.00 0.00 C ATOM 701 CG LEU A 49 -0.983 4.305 -4.061 1.00 0.00 C ATOM 702 CD1 LEU A 49 -0.156 4.528 -5.318 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.342 3.721 -4.417 1.00 0.00 C ATOM 0 H LEU A 49 -1.443 1.275 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 49 0.820 2.463 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.958 3.046 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.505 3.983 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.135 5.270 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.701 5.179 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.792 4.995 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.034 3.571 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.850 4.383 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.208 2.741 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.943 3.620 -3.513 1.00 0.00 H new ATOM 715 N LEU A 50 1.411 0.612 -2.118 1.00 0.00 N ATOM 716 CA LEU A 50 2.439 0.081 -1.238 1.00 0.00 C ATOM 717 C LEU A 50 3.750 -0.169 -1.995 1.00 0.00 C ATOM 718 O LEU A 50 4.816 -0.265 -1.390 1.00 0.00 O ATOM 719 CB LEU A 50 1.958 -1.209 -0.587 1.00 0.00 C ATOM 720 CG LEU A 50 1.200 -0.997 0.715 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.675 -2.314 1.275 1.00 0.00 C ATOM 722 CD2 LEU A 50 2.106 -0.299 1.722 1.00 0.00 C ATOM 0 H LEU A 50 0.550 0.065 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 50 2.633 0.824 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.315 -1.740 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.818 -1.850 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 50 0.334 -0.366 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.139 -2.126 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.001 -2.773 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.511 -2.986 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.564 -0.147 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.985 -0.916 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.419 0.666 1.323 1.00 0.00 H new ATOM 734 N GLU A 51 3.673 -0.265 -3.320 1.00 0.00 N ATOM 735 CA GLU A 51 4.869 -0.486 -4.133 1.00 0.00 C ATOM 736 C GLU A 51 4.951 0.501 -5.298 1.00 0.00 C ATOM 737 O GLU A 51 5.969 0.573 -5.984 1.00 0.00 O ATOM 738 CB GLU A 51 4.917 -1.921 -4.665 1.00 0.00 C ATOM 739 CG GLU A 51 3.591 -2.427 -5.204 1.00 0.00 C ATOM 740 CD GLU A 51 3.447 -2.214 -6.698 1.00 0.00 C ATOM 741 OE1 GLU A 51 4.475 -1.976 -7.367 1.00 0.00 O ATOM 742 OE2 GLU A 51 2.306 -2.284 -7.200 1.00 0.00 O ATOM 0 H GLU A 51 2.805 -0.194 -3.851 1.00 0.00 H new ATOM 0 HA GLU A 51 5.729 -0.321 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.664 -1.979 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.248 -2.583 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.495 -3.490 -4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.776 -1.919 -4.688 1.00 0.00 H new ATOM 749 N MET A 52 3.882 1.264 -5.518 1.00 0.00 N ATOM 750 CA MET A 52 3.858 2.241 -6.599 1.00 0.00 C ATOM 751 C MET A 52 4.795 3.404 -6.295 1.00 0.00 C ATOM 752 O MET A 52 5.843 3.550 -6.925 1.00 0.00 O ATOM 753 CB MET A 52 2.435 2.758 -6.820 1.00 0.00 C ATOM 754 CG MET A 52 1.438 1.665 -7.168 1.00 0.00 C ATOM 755 SD MET A 52 1.146 1.532 -8.943 1.00 0.00 S ATOM 756 CE MET A 52 -0.310 0.490 -8.970 1.00 0.00 C ATOM 0 H MET A 52 3.026 1.223 -4.964 1.00 0.00 H new ATOM 0 HA MET A 52 4.199 1.749 -7.510 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.100 3.271 -5.918 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.446 3.497 -7.621 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.805 0.710 -6.791 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.494 1.865 -6.662 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.614 0.316 -10.002 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.084 -0.464 -8.493 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.120 0.982 -8.431 1.00 0.00 H new ATOM 766 N ASP A 53 4.415 4.228 -5.323 1.00 0.00 N ATOM 767 CA ASP A 53 5.229 5.377 -4.936 1.00 0.00 C ATOM 768 C ASP A 53 5.641 5.282 -3.471 1.00 0.00 C ATOM 769 O ASP A 53 4.831 4.943 -2.610 1.00 0.00 O ATOM 770 CB ASP A 53 4.463 6.677 -5.179 1.00 0.00 C ATOM 771 CG ASP A 53 5.383 7.840 -5.497 1.00 0.00 C ATOM 772 OD1 ASP A 53 6.566 7.788 -5.098 1.00 0.00 O ATOM 773 OD2 ASP A 53 4.921 8.803 -6.145 1.00 0.00 O ATOM 0 H ASP A 53 3.552 4.123 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 53 6.130 5.375 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.764 6.535 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.871 6.917 -4.296 1.00 0.00 H new ATOM 778 N GLN A 54 6.907 5.587 -3.195 1.00 0.00 N ATOM 779 CA GLN A 54 7.428 5.538 -1.832 1.00 0.00 C ATOM 780 C GLN A 54 6.636 6.470 -0.917 1.00 0.00 C ATOM 781 O GLN A 54 6.398 6.165 0.250 1.00 0.00 O ATOM 782 CB GLN A 54 8.909 5.919 -1.814 1.00 0.00 C ATOM 783 CG GLN A 54 9.752 5.044 -0.901 1.00 0.00 C ATOM 784 CD GLN A 54 10.100 5.731 0.405 1.00 0.00 C ATOM 785 OE1 GLN A 54 9.218 6.119 1.170 1.00 0.00 O ATOM 786 NE2 GLN A 54 11.393 5.883 0.666 1.00 0.00 N ATOM 0 H GLN A 54 7.590 5.871 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 54 7.322 4.518 -1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.304 5.857 -2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.004 6.958 -1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.213 4.121 -0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.671 4.766 -1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.090 5.546 0.002 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.689 6.337 1.530 1.00 0.00 H new ATOM 795 N THR A 55 6.228 7.604 -1.465 1.00 0.00 N ATOM 796 CA THR A 55 5.451 8.585 -0.721 1.00 0.00 C ATOM 797 C THR A 55 4.037 8.070 -0.468 1.00 0.00 C ATOM 798 O THR A 55 3.487 8.241 0.620 1.00 0.00 O ATOM 799 CB THR A 55 5.398 9.912 -1.481 1.00 0.00 C ATOM 800 OG1 THR A 55 4.609 10.859 -0.783 1.00 0.00 O ATOM 801 CG2 THR A 55 4.830 9.784 -2.878 1.00 0.00 C ATOM 0 H THR A 55 6.424 7.870 -2.430 1.00 0.00 H new ATOM 0 HA THR A 55 5.939 8.749 0.240 1.00 0.00 H new ATOM 0 HB THR A 55 6.435 10.239 -1.558 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.589 11.701 -1.284 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.822 10.762 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.446 9.099 -3.460 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.812 9.398 -2.823 1.00 0.00 H new ATOM 809 N GLU A 56 3.452 7.442 -1.487 1.00 0.00 N ATOM 810 CA GLU A 56 2.101 6.905 -1.382 1.00 0.00 C ATOM 811 C GLU A 56 2.069 5.664 -0.500 1.00 0.00 C ATOM 812 O GLU A 56 1.190 5.520 0.343 1.00 0.00 O ATOM 813 CB GLU A 56 1.541 6.580 -2.769 1.00 0.00 C ATOM 814 CG GLU A 56 1.134 7.812 -3.564 1.00 0.00 C ATOM 815 CD GLU A 56 1.657 7.790 -4.987 1.00 0.00 C ATOM 816 OE1 GLU A 56 1.191 6.944 -5.778 1.00 0.00 O ATOM 817 OE2 GLU A 56 2.534 8.618 -5.309 1.00 0.00 O ATOM 0 H GLU A 56 3.895 7.294 -2.394 1.00 0.00 H new ATOM 0 HA GLU A 56 1.475 7.668 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.290 6.024 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.676 5.927 -2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.047 7.885 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.505 8.704 -3.059 1.00 0.00 H new ATOM 824 N VAL A 57 3.037 4.768 -0.686 1.00 0.00 N ATOM 825 CA VAL A 57 3.102 3.549 0.117 1.00 0.00 C ATOM 826 C VAL A 57 3.172 3.898 1.597 1.00 0.00 C ATOM 827 O VAL A 57 2.458 3.327 2.421 1.00 0.00 O ATOM 828 CB VAL A 57 4.341 2.691 -0.244 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.570 3.565 -0.384 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.576 1.599 0.797 1.00 0.00 C ATOM 0 H VAL A 57 3.780 4.862 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 57 2.200 2.975 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 57 4.148 2.207 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.430 2.945 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.406 4.299 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.759 4.080 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.452 1.013 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.741 2.056 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.703 0.948 0.844 1.00 0.00 H new ATOM 840 N LEU A 58 4.040 4.844 1.919 1.00 0.00 N ATOM 841 CA LEU A 58 4.219 5.286 3.287 1.00 0.00 C ATOM 842 C LEU A 58 2.947 5.945 3.807 1.00 0.00 C ATOM 843 O LEU A 58 2.505 5.675 4.921 1.00 0.00 O ATOM 844 CB LEU A 58 5.402 6.261 3.356 1.00 0.00 C ATOM 845 CG LEU A 58 5.465 7.140 4.611 1.00 0.00 C ATOM 846 CD1 LEU A 58 6.783 6.934 5.342 1.00 0.00 C ATOM 847 CD2 LEU A 58 5.279 8.606 4.248 1.00 0.00 C ATOM 0 H LEU A 58 4.635 5.322 1.243 1.00 0.00 H new ATOM 0 HA LEU A 58 4.431 4.423 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.326 5.687 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.366 6.910 2.481 1.00 0.00 H new ATOM 0 HG LEU A 58 4.653 6.846 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.809 7.566 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.876 5.889 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.610 7.199 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.327 9.214 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.068 8.914 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.309 8.742 3.770 1.00 0.00 H new ATOM 859 N HIS A 59 2.380 6.823 2.992 1.00 0.00 N ATOM 860 CA HIS A 59 1.171 7.554 3.355 1.00 0.00 C ATOM 861 C HIS A 59 -0.085 6.676 3.390 1.00 0.00 C ATOM 862 O HIS A 59 -0.892 6.785 4.313 1.00 0.00 O ATOM 863 CB HIS A 59 0.959 8.712 2.377 1.00 0.00 C ATOM 864 CG HIS A 59 1.613 9.987 2.810 1.00 0.00 C ATOM 865 ND1 HIS A 59 2.981 10.156 2.849 1.00 0.00 N ATOM 866 CD2 HIS A 59 1.081 11.163 3.223 1.00 0.00 C ATOM 867 CE1 HIS A 59 3.263 11.376 3.267 1.00 0.00 C ATOM 868 NE2 HIS A 59 2.128 12.008 3.501 1.00 0.00 N ATOM 0 H HIS A 59 2.741 7.049 2.065 1.00 0.00 H new ATOM 0 HA HIS A 59 1.322 7.926 4.368 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.348 8.427 1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.111 8.884 2.257 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.030 11.393 3.316 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.253 11.787 3.396 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.042 12.968 3.834 1.00 0.00 H new ATOM 876 N LEU A 60 -0.284 5.855 2.359 1.00 0.00 N ATOM 877 CA LEU A 60 -1.490 5.029 2.271 1.00 0.00 C ATOM 878 C LEU A 60 -1.616 4.002 3.393 1.00 0.00 C ATOM 879 O LEU A 60 -2.692 3.843 3.949 1.00 0.00 O ATOM 880 CB LEU A 60 -1.552 4.311 0.919 1.00 0.00 C ATOM 881 CG LEU A 60 -2.440 4.980 -0.131 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.882 5.060 0.353 1.00 0.00 C ATOM 883 CD2 LEU A 60 -1.905 6.366 -0.467 1.00 0.00 C ATOM 0 H LEU A 60 0.366 5.744 1.581 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.327 5.719 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.541 4.232 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.911 3.294 1.081 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.423 4.373 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.496 5.539 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.258 4.055 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.925 5.643 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.546 6.832 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.894 6.980 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.892 6.280 -0.860 1.00 0.00 H new ATOM 895 N LEU A 61 -0.536 3.309 3.733 1.00 0.00 N ATOM 896 CA LEU A 61 -0.598 2.303 4.795 1.00 0.00 C ATOM 897 C LEU A 61 -0.176 2.895 6.140 1.00 0.00 C ATOM 898 O LEU A 61 0.307 2.180 7.015 1.00 0.00 O ATOM 899 CB LEU A 61 0.265 1.088 4.435 1.00 0.00 C ATOM 900 CG LEU A 61 -0.347 0.143 3.383 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.479 -0.701 3.959 1.00 0.00 C ATOM 902 CD2 LEU A 61 -0.839 0.937 2.189 1.00 0.00 C ATOM 0 H LEU A 61 0.381 3.419 3.299 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.632 1.972 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.228 1.442 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.460 0.518 5.343 1.00 0.00 H new ATOM 0 HG LEU A 61 0.439 -0.542 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.880 -1.351 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.098 -1.309 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.269 -0.047 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.269 0.258 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.598 1.649 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.004 1.476 1.741 1.00 0.00 H new ATOM 914 N GLU A 62 -0.369 4.207 6.302 1.00 0.00 N ATOM 915 CA GLU A 62 -0.012 4.884 7.549 1.00 0.00 C ATOM 916 C GLU A 62 -0.948 6.058 7.845 1.00 0.00 C ATOM 917 O GLU A 62 -1.527 6.138 8.927 1.00 0.00 O ATOM 918 CB GLU A 62 1.431 5.395 7.499 1.00 0.00 C ATOM 919 CG GLU A 62 2.470 4.306 7.287 1.00 0.00 C ATOM 920 CD GLU A 62 2.821 3.581 8.573 1.00 0.00 C ATOM 921 OE1 GLU A 62 1.902 3.319 9.377 1.00 0.00 O ATOM 922 OE2 GLU A 62 4.015 3.274 8.774 1.00 0.00 O ATOM 0 H GLU A 62 -0.768 4.817 5.589 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.112 4.148 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.518 6.126 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.652 5.917 8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.095 3.587 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.373 4.747 6.864 1.00 0.00 H new ATOM 929 N SER A 63 -1.075 6.979 6.889 1.00 0.00 N ATOM 930 CA SER A 63 -1.923 8.154 7.070 1.00 0.00 C ATOM 931 C SER A 63 -3.370 7.868 6.684 1.00 0.00 C ATOM 932 O SER A 63 -3.635 7.050 5.807 1.00 0.00 O ATOM 933 CB SER A 63 -1.388 9.319 6.235 1.00 0.00 C ATOM 934 OG SER A 63 0.016 9.447 6.377 1.00 0.00 O ATOM 0 H SER A 63 -0.603 6.933 5.986 1.00 0.00 H new ATOM 0 HA SER A 63 -1.902 8.418 8.127 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.638 9.163 5.186 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.874 10.245 6.544 1.00 0.00 H new ATOM 0 HG SER A 63 0.333 10.197 5.832 1.00 0.00 H new ATOM 940 N PRO A 64 -4.330 8.553 7.337 1.00 0.00 N ATOM 941 CA PRO A 64 -5.757 8.382 7.060 1.00 0.00 C ATOM 942 C PRO A 64 -6.207 9.190 5.846 1.00 0.00 C ATOM 943 O PRO A 64 -7.146 8.813 5.146 1.00 0.00 O ATOM 944 CB PRO A 64 -6.412 8.917 8.330 1.00 0.00 C ATOM 945 CG PRO A 64 -5.483 9.982 8.805 1.00 0.00 C ATOM 946 CD PRO A 64 -4.095 9.553 8.397 1.00 0.00 C ATOM 0 HA PRO A 64 -6.017 7.350 6.826 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.405 9.318 8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.532 8.132 9.077 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.737 10.945 8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.550 10.101 9.886 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.509 10.395 8.029 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.546 9.125 9.236 1.00 0.00 H new ATOM 954 N ASP A 65 -5.523 10.303 5.603 1.00 0.00 N ATOM 955 CA ASP A 65 -5.837 11.168 4.477 1.00 0.00 C ATOM 956 C ASP A 65 -5.289 10.582 3.179 1.00 0.00 C ATOM 957 O ASP A 65 -5.754 10.907 2.087 1.00 0.00 O ATOM 958 CB ASP A 65 -5.258 12.566 4.717 1.00 0.00 C ATOM 959 CG ASP A 65 -3.803 12.689 4.298 1.00 0.00 C ATOM 960 OD1 ASP A 65 -3.027 11.747 4.561 1.00 0.00 O ATOM 961 OD2 ASP A 65 -3.441 13.729 3.707 1.00 0.00 O ATOM 0 H ASP A 65 -4.744 10.627 6.176 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.921 11.243 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.851 13.297 4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.347 12.813 5.775 1.00 0.00 H new ATOM 966 N ALA A 66 -4.291 9.721 3.319 1.00 0.00 N ATOM 967 CA ALA A 66 -3.655 9.082 2.175 1.00 0.00 C ATOM 968 C ALA A 66 -4.637 8.192 1.417 1.00 0.00 C ATOM 969 O ALA A 66 -4.585 8.094 0.192 1.00 0.00 O ATOM 970 CB ALA A 66 -2.463 8.266 2.643 1.00 0.00 C ATOM 0 H ALA A 66 -3.902 9.447 4.221 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.318 9.862 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.989 7.789 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.745 8.921 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.798 7.501 3.344 1.00 0.00 H new ATOM 976 N LEU A 67 -5.529 7.545 2.159 1.00 0.00 N ATOM 977 CA LEU A 67 -6.525 6.656 1.573 1.00 0.00 C ATOM 978 C LEU A 67 -7.443 7.398 0.606 1.00 0.00 C ATOM 979 O LEU A 67 -7.717 6.923 -0.495 1.00 0.00 O ATOM 980 CB LEU A 67 -7.355 6.011 2.685 1.00 0.00 C ATOM 981 CG LEU A 67 -6.566 5.117 3.645 1.00 0.00 C ATOM 982 CD1 LEU A 67 -5.776 5.948 4.637 1.00 0.00 C ATOM 983 CD2 LEU A 67 -7.497 4.168 4.379 1.00 0.00 C ATOM 0 H LEU A 67 -5.582 7.621 3.175 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.999 5.886 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.838 6.800 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.148 5.418 2.229 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.863 4.530 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.225 5.288 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.075 6.587 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.459 6.567 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.917 3.541 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.226 4.743 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.017 3.538 3.657 1.00 0.00 H new ATOM 995 N LYS A 68 -7.914 8.562 1.027 1.00 0.00 N ATOM 996 CA LYS A 68 -8.809 9.379 0.211 1.00 0.00 C ATOM 997 C LYS A 68 -8.195 9.715 -1.147 1.00 0.00 C ATOM 998 O LYS A 68 -8.898 9.825 -2.150 1.00 0.00 O ATOM 999 CB LYS A 68 -9.163 10.666 0.951 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.339 10.517 1.902 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.618 11.076 1.301 1.00 0.00 C ATOM 1002 CE LYS A 68 -12.730 11.159 2.334 1.00 0.00 C ATOM 1003 NZ LYS A 68 -14.052 10.790 1.759 1.00 0.00 N ATOM 0 H LYS A 68 -7.691 8.967 1.936 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.713 8.797 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.292 11.003 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.392 11.443 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.480 9.464 2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.120 11.033 2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.426 12.068 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.937 10.445 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.500 10.497 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.778 12.172 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.783 10.860 2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.284 11.437 0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.014 9.815 1.400 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.886 9.917 -1.155 1.00 0.00 N ATOM 1018 CA ALA A 69 -6.160 10.290 -2.366 1.00 0.00 C ATOM 1019 C ALA A 69 -6.164 9.214 -3.450 1.00 0.00 C ATOM 1020 O ALA A 69 -6.491 9.486 -4.605 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.726 10.547 -1.989 1.00 0.00 C ATOM 0 H ALA A 69 -6.296 9.828 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.663 11.166 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.161 10.828 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.681 11.356 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.296 9.644 -1.556 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.763 8.006 -3.080 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.681 6.904 -4.032 1.00 0.00 C ATOM 1029 C LYS A 70 -7.041 6.293 -4.302 1.00 0.00 C ATOM 1030 O LYS A 70 -7.331 5.871 -5.419 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.719 5.835 -3.521 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.383 6.395 -3.064 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.709 7.198 -4.165 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.917 8.693 -3.973 1.00 0.00 C ATOM 1035 NZ LYS A 70 -1.852 9.494 -4.637 1.00 0.00 N ATOM 0 H LYS A 70 -5.489 7.763 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.305 7.308 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.185 5.304 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.547 5.104 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.533 7.029 -2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.731 5.578 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.642 6.977 -4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.108 6.896 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.889 8.978 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.933 8.923 -2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.354 10.067 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.176 8.855 -5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.281 10.121 -5.348 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.865 6.231 -3.272 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.196 5.644 -3.414 1.00 0.00 C ATOM 1051 C VAL A 71 -10.007 6.349 -4.498 1.00 0.00 C ATOM 1052 O VAL A 71 -10.605 5.700 -5.354 1.00 0.00 O ATOM 1053 CB VAL A 71 -9.995 5.667 -2.096 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.308 4.827 -1.029 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.202 7.093 -1.616 1.00 0.00 C ATOM 0 H VAL A 71 -7.645 6.574 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.032 4.605 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.975 5.230 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.891 4.860 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.229 3.796 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.310 5.223 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.768 7.085 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.234 7.565 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.753 7.655 -2.370 1.00 0.00 H new ATOM 1065 N ALA A 72 -10.030 7.677 -4.456 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.779 8.454 -5.436 1.00 0.00 C ATOM 1067 C ALA A 72 -10.283 8.194 -6.855 1.00 0.00 C ATOM 1068 O ALA A 72 -11.077 7.989 -7.772 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.687 9.938 -5.109 1.00 0.00 C ATOM 0 H ALA A 72 -9.541 8.236 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.821 8.139 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.250 10.509 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.102 10.118 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.643 10.251 -5.128 1.00 0.00 H new ATOM 1075 N GLU A 73 -8.965 8.209 -7.029 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.364 7.979 -8.338 1.00 0.00 C ATOM 1077 C GLU A 73 -8.465 6.513 -8.752 1.00 0.00 C ATOM 1078 O GLU A 73 -8.889 6.200 -9.865 1.00 0.00 O ATOM 1079 CB GLU A 73 -6.898 8.416 -8.329 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.696 9.857 -7.890 1.00 0.00 C ATOM 1081 CD GLU A 73 -7.275 10.854 -8.875 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -7.466 10.481 -10.052 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -7.537 12.005 -8.471 1.00 0.00 O ATOM 0 H GLU A 73 -8.293 8.378 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.916 8.574 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.336 7.760 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.483 8.288 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.160 10.004 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.630 10.050 -7.768 1.00 0.00 H new ATOM 1090 N ALA A 74 -8.058 5.619 -7.857 1.00 0.00 N ATOM 1091 CA ALA A 74 -8.087 4.187 -8.134 1.00 0.00 C ATOM 1092 C ALA A 74 -9.510 3.677 -8.344 1.00 0.00 C ATOM 1093 O ALA A 74 -9.800 3.029 -9.349 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.410 3.420 -7.008 1.00 0.00 C ATOM 0 H ALA A 74 -7.703 5.861 -6.932 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.540 4.019 -9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.438 2.353 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.373 3.745 -6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.933 3.612 -6.071 1.00 0.00 H new ATOM 1100 N MET A 75 -10.394 3.965 -7.394 1.00 0.00 N ATOM 1101 CA MET A 75 -11.778 3.527 -7.486 1.00 0.00 C ATOM 1102 C MET A 75 -12.444 4.071 -8.746 1.00 0.00 C ATOM 1103 O MET A 75 -13.328 3.437 -9.319 1.00 0.00 O ATOM 1104 CB MET A 75 -12.552 3.977 -6.249 1.00 0.00 C ATOM 1105 CG MET A 75 -12.010 3.406 -4.949 1.00 0.00 C ATOM 1106 SD MET A 75 -12.976 2.008 -4.346 1.00 0.00 S ATOM 1107 CE MET A 75 -14.448 2.842 -3.758 1.00 0.00 C ATOM 0 H MET A 75 -10.175 4.499 -6.553 1.00 0.00 H new ATOM 0 HA MET A 75 -11.787 2.438 -7.540 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.531 5.065 -6.194 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.596 3.683 -6.357 1.00 0.00 H new ATOM 0 HG2 MET A 75 -10.977 3.091 -5.098 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.998 4.188 -4.190 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.776 2.386 -2.824 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.226 3.896 -3.589 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.239 2.752 -4.503 1.00 0.00 H new