USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 425 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 50 HIS : no HE2:sc= -3.2! X(o=-2.7!,f=-3) USER MOD Set 1.2: A 69 TYR OH : rot 81:sc= 0.482 USER MOD Set 2.1: A 22 CYS SG : rot 97:sc= 0.603! USER MOD Set 2.2: A 25 CYS SG : rot -60:sc= -0.9 USER MOD Set 2.3: A 42 CYS SG : rot 86:sc= 0.0734 USER MOD Set 2.4: A 45 CYS SG : rot 128:sc= -1.08 USER MOD Set 3.1: A 37 CYS SG : rot 116:sc= 0.84 USER MOD Set 3.2: A 39 HIS : no HD1:sc= 0.225 K(o=1.9,f=-0.19) USER MOD Set 3.3: A 62 CYS SG : rot 146:sc= 1.08 USER MOD Set 3.4: A 65 CYS SG : rot -42:sc= -0.232 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.605 F(o=-1.2,f=-0.6) USER MOD Single : A 47 THR OG1 : rot 90:sc= 0.0248 USER MOD Single : A 49 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc=-0.00588 (180deg=-0.135) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -155:sc= -0.174 (180deg=-1.76) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -149:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00185 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.762 X(o=-0.76,f=-0.74!) USER MOD Single : A 73 ASN :FLIP amide:sc= -1.6! F(o=-2.7,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.052 -9.585 -25.799 1.00 0.00 N ATOM 233 CA GLU A 19 -6.107 -9.028 -26.638 1.00 0.00 C ATOM 234 C GLU A 19 -6.449 -7.604 -26.209 1.00 0.00 C ATOM 235 O GLU A 19 -6.663 -6.726 -27.046 1.00 0.00 O ATOM 236 CB GLU A 19 -7.358 -9.906 -26.573 1.00 0.00 C ATOM 237 CG GLU A 19 -7.830 -10.188 -25.156 1.00 0.00 C ATOM 238 CD GLU A 19 -6.971 -11.218 -24.449 1.00 0.00 C ATOM 239 OE1 GLU A 19 -7.102 -12.419 -24.768 1.00 0.00 O ATOM 240 OE2 GLU A 19 -6.168 -10.824 -23.578 1.00 0.00 O ATOM 0 HA GLU A 19 -5.743 -9.002 -27.665 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.162 -9.420 -27.125 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.154 -10.852 -27.074 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.824 -9.260 -24.584 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.862 -10.538 -25.184 1.00 0.00 H new ATOM 247 N VAL A 20 -6.498 -7.382 -24.900 1.00 0.00 N ATOM 248 CA VAL A 20 -6.813 -6.066 -24.359 1.00 0.00 C ATOM 249 C VAL A 20 -5.746 -5.608 -23.370 1.00 0.00 C ATOM 250 O VAL A 20 -5.504 -6.262 -22.354 1.00 0.00 O ATOM 251 CB VAL A 20 -8.184 -6.060 -23.657 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.572 -4.646 -23.252 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.245 -6.676 -24.556 1.00 0.00 C ATOM 0 H VAL A 20 -6.323 -8.097 -24.194 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.842 -5.377 -25.203 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.111 -6.663 -22.752 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.543 -4.663 -22.758 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.824 -4.245 -22.568 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.627 -4.016 -24.139 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.207 -6.664 -24.044 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.318 -6.102 -25.479 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.971 -7.705 -24.789 1.00 0.00 H new ATOM 263 N THR A 21 -5.111 -4.480 -23.672 1.00 0.00 N ATOM 264 CA THR A 21 -4.070 -3.935 -22.811 1.00 0.00 C ATOM 265 C THR A 21 -4.478 -2.580 -22.244 1.00 0.00 C ATOM 266 O THR A 21 -5.180 -1.808 -22.898 1.00 0.00 O ATOM 267 CB THR A 21 -2.738 -3.781 -23.569 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.447 -4.979 -24.297 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.599 -3.477 -22.607 1.00 0.00 C ATOM 0 H THR A 21 -5.300 -3.926 -24.507 1.00 0.00 H new ATOM 0 HA THR A 21 -3.935 -4.642 -21.993 1.00 0.00 H new ATOM 0 HB THR A 21 -2.836 -2.948 -24.265 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.600 -4.872 -24.777 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.669 -3.373 -23.166 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.809 -2.549 -22.076 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.502 -4.292 -21.889 1.00 0.00 H new ATOM 277 N CYS A 22 -4.035 -2.297 -21.024 1.00 0.00 N ATOM 278 CA CYS A 22 -4.354 -1.034 -20.368 1.00 0.00 C ATOM 279 C CYS A 22 -3.470 0.092 -20.896 1.00 0.00 C ATOM 280 O CYS A 22 -2.242 0.004 -20.893 1.00 0.00 O ATOM 281 CB CYS A 22 -4.182 -1.165 -18.854 1.00 0.00 C ATOM 282 SG CYS A 22 -4.578 0.352 -17.927 1.00 0.00 S ATOM 0 H CYS A 22 -3.454 -2.925 -20.469 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.393 -0.790 -20.590 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.819 -1.974 -18.495 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.152 -1.451 -18.639 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.797 0.282 -17.480 1.00 0.00 H new ATOM 287 N PRO A 23 -4.108 1.176 -21.361 1.00 0.00 N ATOM 288 CA PRO A 23 -3.400 2.341 -21.901 1.00 0.00 C ATOM 289 C PRO A 23 -2.659 3.120 -20.820 1.00 0.00 C ATOM 290 O PRO A 23 -2.026 4.139 -21.100 1.00 0.00 O ATOM 291 CB PRO A 23 -4.522 3.192 -22.499 1.00 0.00 C ATOM 292 CG PRO A 23 -5.741 2.803 -21.736 1.00 0.00 C ATOM 293 CD PRO A 23 -5.570 1.349 -21.396 1.00 0.00 C ATOM 0 HA PRO A 23 -2.634 2.055 -22.621 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.311 4.256 -22.393 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.643 2.996 -23.564 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.845 3.405 -20.833 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.641 2.962 -22.331 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.027 1.104 -20.437 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.033 0.705 -22.143 1.00 0.00 H new ATOM 301 N ILE A 24 -2.741 2.635 -19.586 1.00 0.00 N ATOM 302 CA ILE A 24 -2.076 3.286 -18.464 1.00 0.00 C ATOM 303 C ILE A 24 -0.867 2.481 -17.999 1.00 0.00 C ATOM 304 O ILE A 24 0.277 2.894 -18.186 1.00 0.00 O ATOM 305 CB ILE A 24 -3.037 3.481 -17.276 1.00 0.00 C ATOM 306 CG1 ILE A 24 -4.070 4.562 -17.600 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.259 3.843 -16.020 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.348 4.436 -16.800 1.00 0.00 C ATOM 0 H ILE A 24 -3.261 1.794 -19.338 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.745 4.263 -18.817 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.564 2.544 -17.096 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.629 5.541 -17.414 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.310 4.517 -18.662 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.952 3.978 -15.189 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.559 3.042 -15.782 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.709 4.769 -16.187 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.034 5.235 -17.082 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.812 3.471 -17.004 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.121 4.511 -15.737 1.00 0.00 H new ATOM 320 N CYS A 25 -1.129 1.327 -17.393 1.00 0.00 N ATOM 321 CA CYS A 25 -0.064 0.462 -16.902 1.00 0.00 C ATOM 322 C CYS A 25 0.539 -0.357 -18.039 1.00 0.00 C ATOM 323 O CYS A 25 1.533 -1.061 -17.853 1.00 0.00 O ATOM 324 CB CYS A 25 -0.598 -0.472 -15.814 1.00 0.00 C ATOM 325 SG CYS A 25 -1.978 -1.531 -16.354 1.00 0.00 S ATOM 0 H CYS A 25 -2.071 0.970 -17.231 1.00 0.00 H new ATOM 0 HA CYS A 25 0.717 1.094 -16.479 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.216 -1.106 -15.463 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.925 0.127 -14.964 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.971 -0.786 -16.740 1.00 0.00 H new ATOM 330 N LEU A 26 -0.067 -0.260 -19.217 1.00 0.00 N ATOM 331 CA LEU A 26 0.410 -0.991 -20.386 1.00 0.00 C ATOM 332 C LEU A 26 0.866 -2.395 -20.001 1.00 0.00 C ATOM 333 O LEU A 26 1.928 -2.850 -20.424 1.00 0.00 O ATOM 334 CB LEU A 26 1.560 -0.233 -21.051 1.00 0.00 C ATOM 335 CG LEU A 26 1.391 1.283 -21.160 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.666 1.926 -21.683 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.212 1.625 -22.059 1.00 0.00 C ATOM 0 H LEU A 26 -0.890 0.318 -19.388 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.416 -1.078 -21.092 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.474 -0.437 -20.493 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.702 -0.636 -22.054 1.00 0.00 H new ATOM 0 HG LEU A 26 1.190 1.679 -20.165 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.527 3.005 -21.754 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.489 1.710 -21.001 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.898 1.524 -22.669 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.107 2.708 -22.125 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.383 1.216 -23.055 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.700 1.197 -21.642 1.00 0.00 H new ATOM 349 N GLU A 27 0.054 -3.076 -19.199 1.00 0.00 N ATOM 350 CA GLU A 27 0.375 -4.429 -18.759 1.00 0.00 C ATOM 351 C GLU A 27 -0.629 -5.434 -19.316 1.00 0.00 C ATOM 352 O GLU A 27 -0.326 -6.178 -20.250 1.00 0.00 O ATOM 353 CB GLU A 27 0.391 -4.502 -17.231 1.00 0.00 C ATOM 354 CG GLU A 27 1.462 -3.634 -16.591 1.00 0.00 C ATOM 355 CD GLU A 27 1.963 -4.200 -15.277 1.00 0.00 C ATOM 356 OE1 GLU A 27 2.401 -5.369 -15.262 1.00 0.00 O ATOM 357 OE2 GLU A 27 1.918 -3.472 -14.263 1.00 0.00 O ATOM 0 H GLU A 27 -0.830 -2.714 -18.841 1.00 0.00 H new ATOM 0 HA GLU A 27 1.365 -4.682 -19.138 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.585 -4.200 -16.851 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.545 -5.537 -16.927 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.300 -3.530 -17.280 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.062 -2.634 -16.423 1.00 0.00 H new ATOM 364 N LEU A 28 -1.824 -5.451 -18.737 1.00 0.00 N ATOM 365 CA LEU A 28 -2.873 -6.365 -19.174 1.00 0.00 C ATOM 366 C LEU A 28 -4.233 -5.930 -18.637 1.00 0.00 C ATOM 367 O LEU A 28 -4.342 -5.450 -17.508 1.00 0.00 O ATOM 368 CB LEU A 28 -2.561 -7.790 -18.713 1.00 0.00 C ATOM 369 CG LEU A 28 -3.753 -8.745 -18.631 1.00 0.00 C ATOM 370 CD1 LEU A 28 -4.504 -8.776 -19.953 1.00 0.00 C ATOM 371 CD2 LEU A 28 -3.290 -10.142 -18.245 1.00 0.00 C ATOM 0 H LEU A 28 -2.091 -4.842 -17.963 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.909 -6.343 -20.263 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.825 -8.218 -19.393 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.094 -7.738 -17.729 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.433 -8.383 -17.860 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.349 -9.461 -19.876 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.868 -7.776 -20.188 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.834 -9.114 -20.744 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.151 -10.809 -18.191 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.590 -10.513 -18.993 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.797 -10.107 -17.273 1.00 0.00 H new ATOM 383 N LEU A 29 -5.268 -6.104 -19.451 1.00 0.00 N ATOM 384 CA LEU A 29 -6.623 -5.732 -19.057 1.00 0.00 C ATOM 385 C LEU A 29 -7.538 -6.952 -19.036 1.00 0.00 C ATOM 386 O LEU A 29 -8.136 -7.311 -20.052 1.00 0.00 O ATOM 387 CB LEU A 29 -7.181 -4.677 -20.013 1.00 0.00 C ATOM 388 CG LEU A 29 -6.872 -3.221 -19.661 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.750 -2.278 -20.468 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.059 -2.982 -18.170 1.00 0.00 C ATOM 0 H LEU A 29 -5.195 -6.500 -20.388 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.582 -5.315 -18.051 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.793 -4.879 -21.011 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.263 -4.796 -20.062 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.831 -3.020 -19.914 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.516 -1.247 -20.204 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.566 -2.431 -21.532 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.798 -2.479 -20.248 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.835 -1.941 -17.937 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.090 -3.202 -17.893 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.386 -3.632 -17.610 1.00 0.00 H new ATOM 402 N THR A 30 -7.647 -7.585 -17.873 1.00 0.00 N ATOM 403 CA THR A 30 -8.490 -8.764 -17.719 1.00 0.00 C ATOM 404 C THR A 30 -9.950 -8.373 -17.520 1.00 0.00 C ATOM 405 O THR A 30 -10.797 -8.651 -18.369 1.00 0.00 O ATOM 406 CB THR A 30 -8.035 -9.629 -16.529 1.00 0.00 C ATOM 407 OG1 THR A 30 -6.606 -9.717 -16.504 1.00 0.00 O ATOM 408 CG2 THR A 30 -8.633 -11.025 -16.615 1.00 0.00 C ATOM 0 H THR A 30 -7.161 -7.301 -17.022 1.00 0.00 H new ATOM 0 HA THR A 30 -8.393 -9.344 -18.637 1.00 0.00 H new ATOM 0 HB THR A 30 -8.385 -9.157 -15.611 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.325 -10.267 -15.743 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.297 -11.618 -15.764 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.721 -10.956 -16.603 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.310 -11.503 -17.540 1.00 0.00 H new ATOM 416 N GLN A 31 -10.237 -7.726 -16.395 1.00 0.00 N ATOM 417 CA GLN A 31 -11.596 -7.297 -16.086 1.00 0.00 C ATOM 418 C GLN A 31 -11.679 -5.777 -15.995 1.00 0.00 C ATOM 419 O GLN A 31 -12.020 -5.211 -14.957 1.00 0.00 O ATOM 420 CB GLN A 31 -12.065 -7.925 -14.772 1.00 0.00 C ATOM 421 CG GLN A 31 -11.135 -7.650 -13.601 1.00 0.00 C ATOM 422 CD GLN A 31 -11.814 -7.848 -12.259 1.00 0.00 C ATOM 423 OE1 GLN A 31 -11.974 -8.976 -11.792 1.00 0.00 O ATOM 424 NE2 GLN A 31 -12.216 -6.749 -11.631 1.00 0.00 N ATOM 0 H GLN A 31 -9.547 -7.487 -15.683 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.248 -7.631 -16.893 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.059 -7.547 -14.533 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.158 -9.003 -14.907 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.269 -8.309 -13.667 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.764 -6.628 -13.669 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.063 -5.834 -12.055 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.678 -6.820 -10.724 1.00 0.00 H new ATOM 433 N PRO A 32 -11.361 -5.099 -17.108 1.00 0.00 N ATOM 434 CA PRO A 32 -11.393 -3.636 -17.179 1.00 0.00 C ATOM 435 C PRO A 32 -12.813 -3.084 -17.132 1.00 0.00 C ATOM 436 O PRO A 32 -13.786 -3.838 -17.191 1.00 0.00 O ATOM 437 CB PRO A 32 -10.746 -3.332 -18.533 1.00 0.00 C ATOM 438 CG PRO A 32 -10.980 -4.558 -19.348 1.00 0.00 C ATOM 439 CD PRO A 32 -10.946 -5.710 -18.382 1.00 0.00 C ATOM 0 HA PRO A 32 -10.881 -3.176 -16.334 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.196 -2.455 -18.999 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.681 -3.125 -18.426 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.940 -4.508 -19.862 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.213 -4.669 -20.115 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.624 -6.508 -18.684 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.950 -6.147 -18.312 1.00 0.00 H new ATOM 447 N LEU A 33 -12.927 -1.764 -17.027 1.00 0.00 N ATOM 448 CA LEU A 33 -14.230 -1.111 -16.972 1.00 0.00 C ATOM 449 C LEU A 33 -14.569 -0.459 -18.309 1.00 0.00 C ATOM 450 O LEU A 33 -13.689 -0.230 -19.139 1.00 0.00 O ATOM 451 CB LEU A 33 -14.250 -0.061 -15.860 1.00 0.00 C ATOM 452 CG LEU A 33 -13.628 -0.482 -14.528 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.735 0.642 -13.510 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.296 -1.745 -14.003 1.00 0.00 C ATOM 0 H LEU A 33 -12.133 -1.126 -16.978 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.981 -1.871 -16.758 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.729 0.827 -16.217 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.285 0.228 -15.679 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.572 -0.695 -14.693 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.287 0.324 -12.568 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.210 1.522 -13.883 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.785 0.887 -13.348 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.841 -2.030 -13.055 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.360 -1.559 -13.854 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.167 -2.552 -14.724 1.00 0.00 H new ATOM 466 N SER A 34 -15.848 -0.160 -18.509 1.00 0.00 N ATOM 467 CA SER A 34 -16.303 0.465 -19.745 1.00 0.00 C ATOM 468 C SER A 34 -16.619 1.941 -19.524 1.00 0.00 C ATOM 469 O SER A 34 -16.921 2.363 -18.406 1.00 0.00 O ATOM 470 CB SER A 34 -17.541 -0.258 -20.281 1.00 0.00 C ATOM 471 OG SER A 34 -17.943 0.278 -21.530 1.00 0.00 O ATOM 0 H SER A 34 -16.588 -0.341 -17.831 1.00 0.00 H new ATOM 0 HA SER A 34 -15.500 0.389 -20.478 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.327 -1.321 -20.390 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.357 -0.169 -19.564 1.00 0.00 H new ATOM 0 HG SER A 34 -18.735 -0.202 -21.852 1.00 0.00 H new ATOM 477 N LEU A 35 -16.546 2.722 -20.596 1.00 0.00 N ATOM 478 CA LEU A 35 -16.824 4.152 -20.520 1.00 0.00 C ATOM 479 C LEU A 35 -17.812 4.573 -21.604 1.00 0.00 C ATOM 480 O LEU A 35 -18.269 3.748 -22.395 1.00 0.00 O ATOM 481 CB LEU A 35 -15.527 4.952 -20.659 1.00 0.00 C ATOM 482 CG LEU A 35 -14.356 4.486 -19.793 1.00 0.00 C ATOM 483 CD1 LEU A 35 -13.071 5.181 -20.215 1.00 0.00 C ATOM 484 CD2 LEU A 35 -14.646 4.743 -18.321 1.00 0.00 C ATOM 0 H LEU A 35 -16.297 2.390 -21.528 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.269 4.359 -19.547 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.215 4.922 -21.703 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.739 5.994 -20.419 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.228 3.413 -19.935 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.248 4.837 -19.588 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.856 4.946 -21.257 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.187 6.259 -20.103 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.802 4.405 -17.720 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.801 5.810 -18.162 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.543 4.198 -18.026 1.00 0.00 H new ATOM 496 N ASP A 36 -18.135 5.861 -21.634 1.00 0.00 N ATOM 497 CA ASP A 36 -19.066 6.392 -22.623 1.00 0.00 C ATOM 498 C ASP A 36 -18.411 6.475 -23.998 1.00 0.00 C ATOM 499 O ASP A 36 -19.079 6.719 -25.003 1.00 0.00 O ATOM 500 CB ASP A 36 -19.562 7.775 -22.197 1.00 0.00 C ATOM 501 CG ASP A 36 -20.451 7.718 -20.970 1.00 0.00 C ATOM 502 OD1 ASP A 36 -21.231 6.751 -20.847 1.00 0.00 O ATOM 503 OD2 ASP A 36 -20.368 8.641 -20.133 1.00 0.00 O ATOM 0 H ASP A 36 -17.766 6.556 -20.985 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.916 5.713 -22.686 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -18.706 8.418 -21.992 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.113 8.230 -23.020 1.00 0.00 H new ATOM 508 N CYS A 37 -17.098 6.272 -24.035 1.00 0.00 N ATOM 509 CA CYS A 37 -16.350 6.325 -25.285 1.00 0.00 C ATOM 510 C CYS A 37 -15.919 4.928 -25.721 1.00 0.00 C ATOM 511 O CYS A 37 -15.697 4.676 -26.905 1.00 0.00 O ATOM 512 CB CYS A 37 -15.122 7.225 -25.132 1.00 0.00 C ATOM 513 SG CYS A 37 -13.796 6.505 -24.112 1.00 0.00 S ATOM 0 H CYS A 37 -16.530 6.069 -23.212 1.00 0.00 H new ATOM 0 HA CYS A 37 -17.003 6.741 -26.052 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -14.724 7.449 -26.121 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -15.432 8.172 -24.691 1.00 0.00 H new ATOM 0 HG CYS A 37 -12.736 6.323 -24.843 1.00 0.00 H new ATOM 518 N GLY A 38 -15.803 4.022 -24.755 1.00 0.00 N ATOM 519 CA GLY A 38 -15.399 2.661 -25.058 1.00 0.00 C ATOM 520 C GLY A 38 -14.090 2.284 -24.395 1.00 0.00 C ATOM 521 O GLY A 38 -14.016 1.290 -23.671 1.00 0.00 O ATOM 0 H GLY A 38 -15.982 4.206 -23.768 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.179 1.973 -24.733 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.302 2.546 -26.138 1.00 0.00 H new ATOM 525 N HIS A 39 -13.052 3.077 -24.642 1.00 0.00 N ATOM 526 CA HIS A 39 -11.738 2.820 -24.064 1.00 0.00 C ATOM 527 C HIS A 39 -11.867 2.224 -22.665 1.00 0.00 C ATOM 528 O HIS A 39 -12.528 2.793 -21.797 1.00 0.00 O ATOM 529 CB HIS A 39 -10.920 4.110 -24.009 1.00 0.00 C ATOM 530 CG HIS A 39 -10.568 4.655 -25.359 1.00 0.00 C ATOM 531 ND1 HIS A 39 -10.830 5.954 -25.738 1.00 0.00 N ATOM 532 CD2 HIS A 39 -9.968 4.068 -26.421 1.00 0.00 C ATOM 533 CE1 HIS A 39 -10.409 6.142 -26.976 1.00 0.00 C ATOM 534 NE2 HIS A 39 -9.881 5.013 -27.413 1.00 0.00 N ATOM 0 H HIS A 39 -13.096 3.903 -25.239 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.223 2.100 -24.700 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.482 4.864 -23.458 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.002 3.925 -23.451 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.622 3.046 -26.477 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.484 7.063 -27.536 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.475 4.867 -28.337 1.00 0.00 H new ATOM 542 N SER A 40 -11.232 1.076 -22.455 1.00 0.00 N ATOM 543 CA SER A 40 -11.279 0.401 -21.163 1.00 0.00 C ATOM 544 C SER A 40 -10.057 0.754 -20.321 1.00 0.00 C ATOM 545 O SER A 40 -9.084 1.317 -20.823 1.00 0.00 O ATOM 546 CB SER A 40 -11.359 -1.114 -21.358 1.00 0.00 C ATOM 547 OG SER A 40 -11.951 -1.438 -22.604 1.00 0.00 O ATOM 0 H SER A 40 -10.679 0.593 -23.163 1.00 0.00 H new ATOM 0 HA SER A 40 -12.171 0.739 -20.636 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.359 -1.544 -21.305 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.940 -1.558 -20.550 1.00 0.00 H new ATOM 0 HG SER A 40 -11.989 -2.412 -22.705 1.00 0.00 H new ATOM 553 N PHE A 41 -10.115 0.418 -19.036 1.00 0.00 N ATOM 554 CA PHE A 41 -9.014 0.700 -18.122 1.00 0.00 C ATOM 555 C PHE A 41 -9.101 -0.180 -16.879 1.00 0.00 C ATOM 556 O PHE A 41 -10.001 -1.011 -16.754 1.00 0.00 O ATOM 557 CB PHE A 41 -9.023 2.176 -17.718 1.00 0.00 C ATOM 558 CG PHE A 41 -8.968 3.118 -18.887 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.105 3.385 -19.632 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.779 3.736 -19.240 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.056 4.251 -20.709 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.725 4.603 -20.315 1.00 0.00 C ATOM 563 CZ PHE A 41 -8.865 4.861 -21.049 1.00 0.00 C ATOM 0 H PHE A 41 -10.912 -0.050 -18.605 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.080 0.478 -18.638 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.924 2.380 -17.139 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.173 2.371 -17.064 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.040 2.912 -19.369 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.884 3.538 -18.669 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -10.949 4.450 -21.284 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.792 5.078 -20.580 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.825 5.539 -21.888 1.00 0.00 H new ATOM 573 N CYS A 42 -8.158 0.008 -15.961 1.00 0.00 N ATOM 574 CA CYS A 42 -8.126 -0.768 -14.727 1.00 0.00 C ATOM 575 C CYS A 42 -8.917 -0.070 -13.625 1.00 0.00 C ATOM 576 O CYS A 42 -8.860 1.151 -13.485 1.00 0.00 O ATOM 577 CB CYS A 42 -6.681 -0.984 -14.274 1.00 0.00 C ATOM 578 SG CYS A 42 -5.667 -1.935 -15.452 1.00 0.00 S ATOM 0 H CYS A 42 -7.406 0.691 -16.049 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.587 -1.736 -14.923 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.214 -0.013 -14.110 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.686 -1.501 -13.315 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.168 -1.131 -16.343 1.00 0.00 H new ATOM 583 N GLN A 43 -9.654 -0.855 -12.845 1.00 0.00 N ATOM 584 CA GLN A 43 -10.457 -0.312 -11.756 1.00 0.00 C ATOM 585 C GLN A 43 -9.617 0.591 -10.859 1.00 0.00 C ATOM 586 O GLN A 43 -10.147 1.457 -10.163 1.00 0.00 O ATOM 587 CB GLN A 43 -11.067 -1.446 -10.930 1.00 0.00 C ATOM 588 CG GLN A 43 -11.794 -0.968 -9.684 1.00 0.00 C ATOM 589 CD GLN A 43 -13.166 -0.399 -9.990 1.00 0.00 C ATOM 590 OE1 GLN A 43 -13.220 0.898 -10.270 1.00 0.00 O flip ATOM 591 NE2 GLN A 43 -14.166 -1.117 -9.976 1.00 0.00 N flip ATOM 0 H GLN A 43 -9.711 -1.868 -12.947 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.260 0.284 -12.191 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.763 -2.005 -11.555 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.276 -2.137 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.897 -1.800 -8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.192 -0.207 -9.186 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.079 -2.109 -9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.082 -0.720 -10.185 1.00 0.00 H new ATOM 600 N ALA A 44 -8.305 0.383 -10.879 1.00 0.00 N ATOM 601 CA ALA A 44 -7.392 1.179 -10.069 1.00 0.00 C ATOM 602 C ALA A 44 -6.804 2.331 -10.876 1.00 0.00 C ATOM 603 O ALA A 44 -6.921 3.495 -10.493 1.00 0.00 O ATOM 604 CB ALA A 44 -6.280 0.302 -9.510 1.00 0.00 C ATOM 0 H ALA A 44 -7.850 -0.331 -11.448 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.958 1.603 -9.239 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.605 0.910 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.713 -0.483 -8.890 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.725 -0.149 -10.332 1.00 0.00 H new ATOM 610 N CYS A 45 -6.170 2.000 -11.996 1.00 0.00 N ATOM 611 CA CYS A 45 -5.562 3.007 -12.858 1.00 0.00 C ATOM 612 C CYS A 45 -6.512 4.180 -13.078 1.00 0.00 C ATOM 613 O CYS A 45 -6.096 5.340 -13.072 1.00 0.00 O ATOM 614 CB CYS A 45 -5.176 2.390 -14.204 1.00 0.00 C ATOM 615 SG CYS A 45 -3.887 1.107 -14.092 1.00 0.00 S ATOM 0 H CYS A 45 -6.064 1.041 -12.328 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.664 3.377 -12.364 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.066 1.957 -14.662 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.829 3.182 -14.868 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.290 0.032 -14.702 1.00 0.00 H new ATOM 620 N LEU A 46 -7.790 3.871 -13.271 1.00 0.00 N ATOM 621 CA LEU A 46 -8.800 4.900 -13.492 1.00 0.00 C ATOM 622 C LEU A 46 -8.897 5.836 -12.291 1.00 0.00 C ATOM 623 O LEU A 46 -8.902 7.058 -12.441 1.00 0.00 O ATOM 624 CB LEU A 46 -10.161 4.256 -13.762 1.00 0.00 C ATOM 625 CG LEU A 46 -10.529 4.056 -15.233 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.544 2.933 -15.381 1.00 0.00 C ATOM 627 CD2 LEU A 46 -11.070 5.348 -15.828 1.00 0.00 C ATOM 0 H LEU A 46 -8.151 2.917 -13.279 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.502 5.485 -14.362 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.186 3.285 -13.267 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.931 4.871 -13.296 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.627 3.778 -15.779 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.794 2.805 -16.434 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.121 2.006 -14.993 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.446 3.182 -14.822 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.327 5.187 -16.875 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.960 5.656 -15.280 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.311 6.127 -15.756 1.00 0.00 H new ATOM 639 N THR A 47 -8.972 5.253 -11.098 1.00 0.00 N ATOM 640 CA THR A 47 -9.067 6.034 -9.872 1.00 0.00 C ATOM 641 C THR A 47 -7.871 6.966 -9.718 1.00 0.00 C ATOM 642 O THR A 47 -7.984 8.047 -9.140 1.00 0.00 O ATOM 643 CB THR A 47 -9.157 5.124 -8.632 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.377 4.374 -8.662 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.091 5.944 -7.352 1.00 0.00 C ATOM 0 H THR A 47 -8.969 4.243 -10.956 1.00 0.00 H new ATOM 0 HA THR A 47 -9.978 6.627 -9.946 1.00 0.00 H new ATOM 0 HB THR A 47 -8.309 4.439 -8.649 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.231 3.530 -9.139 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.156 5.280 -6.490 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.148 6.490 -7.318 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.921 6.650 -7.329 1.00 0.00 H new ATOM 653 N ALA A 48 -6.725 6.541 -10.240 1.00 0.00 N ATOM 654 CA ALA A 48 -5.508 7.339 -10.164 1.00 0.00 C ATOM 655 C ALA A 48 -5.464 8.381 -11.276 1.00 0.00 C ATOM 656 O ALA A 48 -4.991 9.498 -11.074 1.00 0.00 O ATOM 657 CB ALA A 48 -4.282 6.440 -10.231 1.00 0.00 C ATOM 0 H ALA A 48 -6.614 5.648 -10.720 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.507 7.865 -9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.380 7.050 -10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.300 5.738 -9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.287 5.888 -11.171 1.00 0.00 H new ATOM 663 N ASN A 49 -5.959 8.007 -12.451 1.00 0.00 N ATOM 664 CA ASN A 49 -5.975 8.909 -13.597 1.00 0.00 C ATOM 665 C ASN A 49 -6.987 10.032 -13.391 1.00 0.00 C ATOM 666 O ASN A 49 -6.727 11.187 -13.728 1.00 0.00 O ATOM 667 CB ASN A 49 -6.305 8.138 -14.876 1.00 0.00 C ATOM 668 CG ASN A 49 -5.830 8.857 -16.124 1.00 0.00 C ATOM 669 OD1 ASN A 49 -6.516 9.736 -16.646 1.00 0.00 O ATOM 670 ND2 ASN A 49 -4.651 8.485 -16.608 1.00 0.00 N ATOM 0 H ASN A 49 -6.355 7.085 -12.635 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.983 9.351 -13.694 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.844 7.151 -14.831 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.382 7.984 -14.936 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.279 8.933 -17.446 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.117 7.752 -16.142 1.00 0.00 H new ATOM 677 N HIS A 50 -8.143 9.684 -12.834 1.00 0.00 N ATOM 678 CA HIS A 50 -9.195 10.663 -12.581 1.00 0.00 C ATOM 679 C HIS A 50 -8.822 11.573 -11.416 1.00 0.00 C ATOM 680 O HIS A 50 -9.021 12.787 -11.473 1.00 0.00 O ATOM 681 CB HIS A 50 -10.519 9.955 -12.288 1.00 0.00 C ATOM 682 CG HIS A 50 -11.153 9.345 -13.499 1.00 0.00 C ATOM 683 ND1 HIS A 50 -12.181 8.428 -13.429 1.00 0.00 N ATOM 684 CD2 HIS A 50 -10.901 9.525 -14.817 1.00 0.00 C ATOM 685 CE1 HIS A 50 -12.532 8.069 -14.651 1.00 0.00 C ATOM 686 NE2 HIS A 50 -11.771 8.721 -15.511 1.00 0.00 N ATOM 0 H HIS A 50 -8.375 8.732 -12.549 1.00 0.00 H new ATOM 0 HA HIS A 50 -9.309 11.276 -13.475 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.348 9.175 -11.546 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.213 10.669 -11.845 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -12.604 8.081 -12.568 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.155 10.179 -15.243 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.309 7.363 -14.904 1.00 0.00 H new ATOM 694 N LYS A 51 -8.279 10.980 -10.358 1.00 0.00 N ATOM 695 CA LYS A 51 -7.877 11.736 -9.178 1.00 0.00 C ATOM 696 C LYS A 51 -6.603 12.530 -9.449 1.00 0.00 C ATOM 697 O LYS A 51 -6.384 13.591 -8.864 1.00 0.00 O ATOM 698 CB LYS A 51 -7.660 10.794 -7.992 1.00 0.00 C ATOM 699 CG LYS A 51 -6.268 10.190 -7.941 1.00 0.00 C ATOM 700 CD LYS A 51 -6.167 9.109 -6.878 1.00 0.00 C ATOM 701 CE LYS A 51 -5.787 9.692 -5.525 1.00 0.00 C ATOM 702 NZ LYS A 51 -5.144 8.677 -4.645 1.00 0.00 N ATOM 0 H LYS A 51 -8.107 9.977 -10.294 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.677 12.436 -8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.844 11.340 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.394 9.990 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.018 9.769 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.538 10.973 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.121 8.588 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.424 8.370 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.106 10.531 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.678 10.085 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.900 9.113 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.803 7.888 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.280 8.320 -5.100 1.00 0.00 H new ATOM 716 N LYS A 52 -5.766 12.010 -10.340 1.00 0.00 N ATOM 717 CA LYS A 52 -4.514 12.671 -10.692 1.00 0.00 C ATOM 718 C LYS A 52 -4.755 14.132 -11.058 1.00 0.00 C ATOM 719 O LYS A 52 -4.194 15.037 -10.441 1.00 0.00 O ATOM 720 CB LYS A 52 -3.841 11.946 -11.859 1.00 0.00 C ATOM 721 CG LYS A 52 -3.022 12.861 -12.753 1.00 0.00 C ATOM 722 CD LYS A 52 -1.925 13.566 -11.973 1.00 0.00 C ATOM 723 CE LYS A 52 -0.940 14.261 -12.901 1.00 0.00 C ATOM 724 NZ LYS A 52 -0.080 13.286 -13.627 1.00 0.00 N ATOM 0 H LYS A 52 -5.932 11.132 -10.832 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.857 12.636 -9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.194 11.163 -11.464 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.606 11.454 -12.460 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.579 12.280 -13.562 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.676 13.602 -13.214 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.369 14.298 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.395 12.842 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.487 14.870 -13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.312 14.939 -12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.713 13.788 -14.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.289 12.582 -12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.641 12.805 -14.359 1.00 0.00 H new ATOM 738 N SER A 53 -5.593 14.355 -12.066 1.00 0.00 N ATOM 739 CA SER A 53 -5.906 15.706 -12.516 1.00 0.00 C ATOM 740 C SER A 53 -5.888 16.686 -11.347 1.00 0.00 C ATOM 741 O SER A 53 -5.327 17.777 -11.446 1.00 0.00 O ATOM 742 CB SER A 53 -7.274 15.735 -13.199 1.00 0.00 C ATOM 743 OG SER A 53 -7.151 15.537 -14.597 1.00 0.00 O ATOM 0 H SER A 53 -6.067 13.617 -12.586 1.00 0.00 H new ATOM 0 HA SER A 53 -5.143 16.009 -13.233 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.913 14.961 -12.774 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.760 16.691 -13.005 1.00 0.00 H new ATOM 0 HG SER A 53 -8.040 15.558 -15.010 1.00 0.00 H new ATOM 749 N MET A 54 -6.505 16.287 -10.240 1.00 0.00 N ATOM 750 CA MET A 54 -6.560 17.129 -9.050 1.00 0.00 C ATOM 751 C MET A 54 -5.282 17.950 -8.906 1.00 0.00 C ATOM 752 O MET A 54 -5.332 19.158 -8.668 1.00 0.00 O ATOM 753 CB MET A 54 -6.772 16.271 -7.801 1.00 0.00 C ATOM 754 CG MET A 54 -8.135 15.601 -7.749 1.00 0.00 C ATOM 755 SD MET A 54 -9.491 16.764 -7.993 1.00 0.00 S ATOM 756 CE MET A 54 -10.387 15.965 -9.323 1.00 0.00 C ATOM 0 H MET A 54 -6.974 15.386 -10.142 1.00 0.00 H new ATOM 0 HA MET A 54 -7.401 17.814 -9.158 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.998 15.505 -7.761 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.649 16.895 -6.916 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.184 14.826 -8.514 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.255 15.106 -6.786 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.954 16.711 -9.879 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.682 15.472 -9.992 1.00 0.00 H new ATOM 0 HE3 MET A 54 -11.071 15.225 -8.908 1.00 0.00 H new ATOM 766 N LEU A 55 -4.140 17.288 -9.052 1.00 0.00 N ATOM 767 CA LEU A 55 -2.848 17.957 -8.938 1.00 0.00 C ATOM 768 C LEU A 55 -2.743 19.111 -9.930 1.00 0.00 C ATOM 769 O LEU A 55 -2.351 20.220 -9.568 1.00 0.00 O ATOM 770 CB LEU A 55 -1.712 16.960 -9.175 1.00 0.00 C ATOM 771 CG LEU A 55 -1.234 16.183 -7.948 1.00 0.00 C ATOM 772 CD1 LEU A 55 -0.585 17.121 -6.942 1.00 0.00 C ATOM 773 CD2 LEU A 55 -2.391 15.430 -7.309 1.00 0.00 C ATOM 0 H LEU A 55 -4.082 16.289 -9.249 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.764 18.361 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.036 16.244 -9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.862 17.501 -9.592 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.488 15.456 -8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.251 16.550 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.271 17.614 -7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.309 17.872 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.032 14.883 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.160 16.138 -7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.811 14.729 -8.030 1.00 0.00 H new ATOM 785 N ASP A 56 -3.098 18.842 -11.181 1.00 0.00 N ATOM 786 CA ASP A 56 -3.047 19.859 -12.225 1.00 0.00 C ATOM 787 C ASP A 56 -4.291 20.741 -12.186 1.00 0.00 C ATOM 788 O ASP A 56 -4.247 21.875 -11.707 1.00 0.00 O ATOM 789 CB ASP A 56 -2.915 19.202 -13.600 1.00 0.00 C ATOM 790 CG ASP A 56 -1.541 18.605 -13.828 1.00 0.00 C ATOM 791 OD1 ASP A 56 -0.603 19.373 -14.130 1.00 0.00 O ATOM 792 OD2 ASP A 56 -1.402 17.370 -13.704 1.00 0.00 O ATOM 0 H ASP A 56 -3.424 17.929 -11.497 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.174 20.486 -12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.668 18.421 -13.700 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.119 19.942 -14.374 1.00 0.00 H new ATOM 797 N LYS A 57 -5.400 20.214 -12.694 1.00 0.00 N ATOM 798 CA LYS A 57 -6.657 20.952 -12.718 1.00 0.00 C ATOM 799 C LYS A 57 -7.727 20.230 -11.906 1.00 0.00 C ATOM 800 O LYS A 57 -8.408 20.836 -11.079 1.00 0.00 O ATOM 801 CB LYS A 57 -7.136 21.139 -14.160 1.00 0.00 C ATOM 802 CG LYS A 57 -7.123 19.858 -14.976 1.00 0.00 C ATOM 803 CD LYS A 57 -7.547 20.108 -16.413 1.00 0.00 C ATOM 804 CE LYS A 57 -6.398 20.651 -17.247 1.00 0.00 C ATOM 805 NZ LYS A 57 -5.549 19.560 -17.801 1.00 0.00 N ATOM 0 H LYS A 57 -5.454 19.278 -13.095 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.483 21.930 -12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.149 21.542 -14.148 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.504 21.879 -14.651 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.122 19.426 -14.961 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.792 19.128 -14.520 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.910 19.179 -16.853 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.377 20.815 -16.431 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.796 21.252 -18.065 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.785 21.312 -16.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.777 19.972 -18.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.149 19.001 -17.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.127 18.944 -18.407 1.00 0.00 H new ATOM 819 N GLY A 58 -7.870 18.930 -12.146 1.00 0.00 N ATOM 820 CA GLY A 58 -8.858 18.147 -11.427 1.00 0.00 C ATOM 821 C GLY A 58 -9.837 17.455 -12.356 1.00 0.00 C ATOM 822 O GLY A 58 -9.948 16.230 -12.348 1.00 0.00 O ATOM 0 H GLY A 58 -7.319 18.405 -12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.351 17.400 -10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.406 18.797 -10.745 1.00 0.00 H new ATOM 826 N GLU A 59 -10.549 18.243 -13.156 1.00 0.00 N ATOM 827 CA GLU A 59 -11.524 17.697 -14.093 1.00 0.00 C ATOM 828 C GLU A 59 -10.980 16.448 -14.780 1.00 0.00 C ATOM 829 O GLU A 59 -10.202 16.539 -15.730 1.00 0.00 O ATOM 830 CB GLU A 59 -11.901 18.747 -15.141 1.00 0.00 C ATOM 831 CG GLU A 59 -12.402 20.051 -14.543 1.00 0.00 C ATOM 832 CD GLU A 59 -12.969 20.991 -15.589 1.00 0.00 C ATOM 833 OE1 GLU A 59 -14.123 20.780 -16.015 1.00 0.00 O ATOM 834 OE2 GLU A 59 -12.257 21.940 -15.981 1.00 0.00 O ATOM 0 H GLU A 59 -10.469 19.260 -13.174 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.415 17.420 -13.530 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.032 18.954 -15.765 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.672 18.337 -15.794 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.169 19.835 -13.800 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.583 20.546 -14.021 1.00 0.00 H new ATOM 841 N SER A 60 -11.394 15.283 -14.292 1.00 0.00 N ATOM 842 CA SER A 60 -10.945 14.016 -14.856 1.00 0.00 C ATOM 843 C SER A 60 -11.468 13.838 -16.278 1.00 0.00 C ATOM 844 O SER A 60 -12.527 14.357 -16.632 1.00 0.00 O ATOM 845 CB SER A 60 -11.410 12.851 -13.980 1.00 0.00 C ATOM 846 OG SER A 60 -12.821 12.845 -13.846 1.00 0.00 O ATOM 0 H SER A 60 -12.039 15.191 -13.508 1.00 0.00 H new ATOM 0 HA SER A 60 -9.855 14.026 -14.887 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.079 11.909 -14.417 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.948 12.925 -12.995 1.00 0.00 H new ATOM 0 HG SER A 60 -13.065 12.473 -12.973 1.00 0.00 H new ATOM 852 N SER A 61 -10.717 13.101 -17.090 1.00 0.00 N ATOM 853 CA SER A 61 -11.101 12.857 -18.476 1.00 0.00 C ATOM 854 C SER A 61 -10.340 11.665 -19.049 1.00 0.00 C ATOM 855 O SER A 61 -9.304 11.262 -18.519 1.00 0.00 O ATOM 856 CB SER A 61 -10.839 14.101 -19.326 1.00 0.00 C ATOM 857 OG SER A 61 -9.535 14.608 -19.100 1.00 0.00 O ATOM 0 H SER A 61 -9.839 12.662 -16.812 1.00 0.00 H new ATOM 0 HA SER A 61 -12.167 12.629 -18.497 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.959 13.856 -20.381 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.577 14.868 -19.091 1.00 0.00 H new ATOM 0 HG SER A 61 -9.392 15.402 -19.656 1.00 0.00 H new ATOM 863 N CYS A 62 -10.862 11.105 -20.135 1.00 0.00 N ATOM 864 CA CYS A 62 -10.234 9.959 -20.782 1.00 0.00 C ATOM 865 C CYS A 62 -8.784 10.266 -21.145 1.00 0.00 C ATOM 866 O CYS A 62 -8.495 11.138 -21.966 1.00 0.00 O ATOM 867 CB CYS A 62 -11.014 9.566 -22.038 1.00 0.00 C ATOM 868 SG CYS A 62 -10.577 7.926 -22.701 1.00 0.00 S ATOM 0 H CYS A 62 -11.719 11.426 -20.586 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.245 9.125 -20.080 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -12.080 9.582 -21.811 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -10.841 10.316 -22.810 1.00 0.00 H new ATOM 0 HG CYS A 62 -11.636 7.366 -23.206 1.00 0.00 H new ATOM 873 N PRO A 63 -7.850 9.534 -20.521 1.00 0.00 N ATOM 874 CA PRO A 63 -6.415 9.709 -20.762 1.00 0.00 C ATOM 875 C PRO A 63 -5.999 9.235 -22.151 1.00 0.00 C ATOM 876 O PRO A 63 -4.815 9.234 -22.488 1.00 0.00 O ATOM 877 CB PRO A 63 -5.765 8.840 -19.683 1.00 0.00 C ATOM 878 CG PRO A 63 -6.788 7.806 -19.362 1.00 0.00 C ATOM 879 CD PRO A 63 -8.123 8.479 -19.531 1.00 0.00 C ATOM 0 HA PRO A 63 -6.119 10.757 -20.719 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.842 8.385 -20.044 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.507 9.429 -18.803 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.697 6.947 -20.027 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.663 7.436 -18.344 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.882 7.782 -19.886 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.486 8.894 -18.591 1.00 0.00 H new ATOM 887 N VAL A 64 -6.980 8.833 -22.952 1.00 0.00 N ATOM 888 CA VAL A 64 -6.715 8.358 -24.305 1.00 0.00 C ATOM 889 C VAL A 64 -7.246 9.338 -25.345 1.00 0.00 C ATOM 890 O VAL A 64 -6.503 9.807 -26.208 1.00 0.00 O ATOM 891 CB VAL A 64 -7.349 6.975 -24.548 1.00 0.00 C ATOM 892 CG1 VAL A 64 -7.157 6.546 -25.995 1.00 0.00 C ATOM 893 CG2 VAL A 64 -6.761 5.945 -23.596 1.00 0.00 C ATOM 0 H VAL A 64 -7.965 8.827 -22.688 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.633 8.276 -24.406 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.419 7.046 -24.354 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.611 5.567 -26.148 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.630 7.272 -26.656 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.092 6.491 -26.220 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.220 4.974 -23.782 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.685 5.874 -23.756 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.956 6.248 -22.567 1.00 0.00 H new ATOM 903 N CYS A 65 -8.536 9.644 -25.258 1.00 0.00 N ATOM 904 CA CYS A 65 -9.167 10.569 -26.191 1.00 0.00 C ATOM 905 C CYS A 65 -9.641 11.829 -25.472 1.00 0.00 C ATOM 906 O CYS A 65 -10.028 12.810 -26.107 1.00 0.00 O ATOM 907 CB CYS A 65 -10.348 9.893 -26.891 1.00 0.00 C ATOM 908 SG CYS A 65 -11.691 9.392 -25.766 1.00 0.00 S ATOM 0 H CYS A 65 -9.165 9.265 -24.550 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.426 10.855 -26.937 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.751 10.574 -27.640 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.986 9.013 -27.423 1.00 0.00 H new ATOM 0 HG CYS A 65 -11.183 8.872 -24.688 1.00 0.00 H new ATOM 913 N ARG A 66 -9.607 11.793 -24.144 1.00 0.00 N ATOM 914 CA ARG A 66 -10.034 12.931 -23.338 1.00 0.00 C ATOM 915 C ARG A 66 -11.417 13.411 -23.766 1.00 0.00 C ATOM 916 O ARG A 66 -11.678 14.614 -23.819 1.00 0.00 O ATOM 917 CB ARG A 66 -9.025 14.074 -23.458 1.00 0.00 C ATOM 918 CG ARG A 66 -7.601 13.669 -23.116 1.00 0.00 C ATOM 919 CD ARG A 66 -7.319 13.824 -21.630 1.00 0.00 C ATOM 920 NE ARG A 66 -5.896 13.699 -21.327 1.00 0.00 N ATOM 921 CZ ARG A 66 -5.387 13.856 -20.110 1.00 0.00 C ATOM 922 NH1 ARG A 66 -6.182 14.142 -19.088 1.00 0.00 N ATOM 923 NH2 ARG A 66 -4.081 13.726 -19.913 1.00 0.00 N ATOM 0 H ARG A 66 -9.288 10.989 -23.603 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.086 12.610 -22.298 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.048 14.462 -24.476 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.330 14.887 -22.800 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.435 12.633 -23.413 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.901 14.280 -23.686 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.677 14.797 -21.293 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.876 13.069 -21.075 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.258 13.479 -22.092 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.186 14.242 -19.235 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.789 14.262 -18.154 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.467 13.505 -20.697 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.692 13.847 -18.978 1.00 0.00 H new ATOM 937 N ILE A 67 -12.299 12.465 -24.069 1.00 0.00 N ATOM 938 CA ILE A 67 -13.656 12.792 -24.491 1.00 0.00 C ATOM 939 C ILE A 67 -14.439 13.452 -23.361 1.00 0.00 C ATOM 940 O ILE A 67 -14.032 13.405 -22.200 1.00 0.00 O ATOM 941 CB ILE A 67 -14.416 11.539 -24.963 1.00 0.00 C ATOM 942 CG1 ILE A 67 -15.672 11.940 -25.740 1.00 0.00 C ATOM 943 CG2 ILE A 67 -14.780 10.661 -23.775 1.00 0.00 C ATOM 944 CD1 ILE A 67 -16.248 10.820 -26.578 1.00 0.00 C ATOM 0 H ILE A 67 -12.099 11.466 -24.030 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.568 13.489 -25.324 1.00 0.00 H new ATOM 0 HB ILE A 67 -13.767 10.968 -25.627 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -16.430 12.283 -25.036 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -15.434 12.783 -26.389 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -15.317 9.779 -24.125 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -13.871 10.351 -23.259 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -15.413 11.222 -23.088 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -17.136 11.176 -27.100 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -15.506 10.492 -27.306 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -16.518 9.984 -25.932 1.00 0.00 H new ATOM 956 N SER A 68 -15.565 14.066 -23.709 1.00 0.00 N ATOM 957 CA SER A 68 -16.405 14.738 -22.724 1.00 0.00 C ATOM 958 C SER A 68 -17.335 13.745 -22.035 1.00 0.00 C ATOM 959 O SER A 68 -18.282 13.242 -22.640 1.00 0.00 O ATOM 960 CB SER A 68 -17.225 15.844 -23.392 1.00 0.00 C ATOM 961 OG SER A 68 -16.503 17.063 -23.428 1.00 0.00 O ATOM 0 H SER A 68 -15.917 14.112 -24.665 1.00 0.00 H new ATOM 0 HA SER A 68 -15.755 15.182 -21.971 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.488 15.544 -24.406 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.159 15.987 -22.849 1.00 0.00 H new ATOM 0 HG SER A 68 -17.048 17.753 -23.861 1.00 0.00 H new ATOM 967 N TYR A 69 -17.058 13.466 -20.766 1.00 0.00 N ATOM 968 CA TYR A 69 -17.868 12.531 -19.994 1.00 0.00 C ATOM 969 C TYR A 69 -17.538 12.624 -18.507 1.00 0.00 C ATOM 970 O TYR A 69 -16.542 13.234 -18.119 1.00 0.00 O ATOM 971 CB TYR A 69 -17.644 11.101 -20.490 1.00 0.00 C ATOM 972 CG TYR A 69 -16.422 10.439 -19.895 1.00 0.00 C ATOM 973 CD1 TYR A 69 -15.214 11.118 -19.805 1.00 0.00 C ATOM 974 CD2 TYR A 69 -16.477 9.133 -19.423 1.00 0.00 C ATOM 975 CE1 TYR A 69 -14.095 10.516 -19.263 1.00 0.00 C ATOM 976 CE2 TYR A 69 -15.363 8.523 -18.878 1.00 0.00 C ATOM 977 CZ TYR A 69 -14.174 9.218 -18.801 1.00 0.00 C ATOM 978 OH TYR A 69 -13.062 8.616 -18.259 1.00 0.00 O ATOM 0 H TYR A 69 -16.278 13.874 -20.250 1.00 0.00 H new ATOM 0 HA TYR A 69 -18.916 12.796 -20.132 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.523 10.501 -20.254 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -17.548 11.113 -21.576 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.148 12.134 -20.165 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.406 8.585 -19.483 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.163 11.058 -19.201 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -15.423 7.508 -18.514 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.960 8.897 -17.326 1.00 0.00 H new ATOM 988 N GLN A 70 -18.382 12.013 -17.682 1.00 0.00 N ATOM 989 CA GLN A 70 -18.181 12.026 -16.238 1.00 0.00 C ATOM 990 C GLN A 70 -18.156 10.607 -15.679 1.00 0.00 C ATOM 991 O GLN A 70 -18.959 9.752 -16.054 1.00 0.00 O ATOM 992 CB GLN A 70 -19.284 12.837 -15.555 1.00 0.00 C ATOM 993 CG GLN A 70 -19.113 14.340 -15.702 1.00 0.00 C ATOM 994 CD GLN A 70 -20.159 15.124 -14.934 1.00 0.00 C ATOM 995 OE1 GLN A 70 -20.580 14.722 -13.849 1.00 0.00 O ATOM 996 NE2 GLN A 70 -20.585 16.250 -15.494 1.00 0.00 N ATOM 0 H GLN A 70 -19.211 11.503 -17.988 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.218 12.494 -16.035 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.248 12.547 -15.972 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.306 12.584 -14.495 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -18.121 14.625 -15.352 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.167 14.607 -16.758 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -20.209 16.546 -16.395 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -21.288 16.819 -15.023 1.00 0.00 H new ATOM 1005 N PRO A 71 -17.214 10.348 -14.760 1.00 0.00 N ATOM 1006 CA PRO A 71 -17.062 9.034 -14.130 1.00 0.00 C ATOM 1007 C PRO A 71 -18.212 8.709 -13.183 1.00 0.00 C ATOM 1008 O PRO A 71 -18.292 7.604 -12.646 1.00 0.00 O ATOM 1009 CB PRO A 71 -15.750 9.162 -13.353 1.00 0.00 C ATOM 1010 CG PRO A 71 -15.609 10.621 -13.085 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.223 11.320 -14.266 1.00 0.00 C ATOM 0 HA PRO A 71 -17.061 8.228 -14.864 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.782 8.590 -12.425 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.908 8.783 -13.932 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.115 10.899 -12.161 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.561 10.897 -12.970 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.692 12.261 -13.977 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.478 11.556 -15.026 1.00 0.00 H new ATOM 1019 N GLU A 72 -19.100 9.678 -12.984 1.00 0.00 N ATOM 1020 CA GLU A 72 -20.246 9.493 -12.101 1.00 0.00 C ATOM 1021 C GLU A 72 -21.307 8.618 -12.762 1.00 0.00 C ATOM 1022 O GLU A 72 -21.887 7.739 -12.125 1.00 0.00 O ATOM 1023 CB GLU A 72 -20.850 10.847 -11.722 1.00 0.00 C ATOM 1024 CG GLU A 72 -20.072 11.579 -10.642 1.00 0.00 C ATOM 1025 CD GLU A 72 -20.294 13.079 -10.678 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -19.852 13.720 -11.655 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -20.910 13.611 -9.731 1.00 0.00 O ATOM 0 H GLU A 72 -19.048 10.598 -13.422 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.898 8.992 -11.197 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -20.899 11.475 -12.611 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -21.874 10.696 -11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.365 11.195 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.009 11.370 -10.760 1.00 0.00 H new ATOM 1034 N ASN A 73 -21.555 8.866 -14.044 1.00 0.00 N ATOM 1035 CA ASN A 73 -22.547 8.102 -14.792 1.00 0.00 C ATOM 1036 C ASN A 73 -21.898 6.921 -15.507 1.00 0.00 C ATOM 1037 O ASN A 73 -22.171 6.667 -16.681 1.00 0.00 O ATOM 1038 CB ASN A 73 -23.254 9.001 -15.808 1.00 0.00 C ATOM 1039 CG ASN A 73 -22.405 9.266 -17.036 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -21.407 10.130 -16.889 1.00 0.00 O flip ATOM 1041 ND2 ASN A 73 -22.643 8.700 -18.103 1.00 0.00 N flip ATOM 0 H ASN A 73 -21.083 9.590 -14.586 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.281 7.717 -14.084 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.191 8.534 -16.112 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.509 9.949 -15.334 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -23.421 8.043 -18.170 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -22.062 8.888 -18.920 1.00 0.00 H new ATOM 1048 N ILE A 74 -21.039 6.203 -14.792 1.00 0.00 N ATOM 1049 CA ILE A 74 -20.352 5.048 -15.357 1.00 0.00 C ATOM 1050 C ILE A 74 -20.278 3.905 -14.351 1.00 0.00 C ATOM 1051 O ILE A 74 -20.046 4.126 -13.162 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.926 5.409 -15.814 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -18.964 6.570 -16.809 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -18.245 4.197 -16.432 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -17.596 7.110 -17.161 1.00 0.00 C ATOM 0 H ILE A 74 -20.802 6.401 -13.820 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.932 4.729 -16.223 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.350 5.721 -14.943 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -19.461 6.240 -17.721 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -19.567 7.376 -16.391 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -17.238 4.468 -16.750 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.189 3.396 -15.695 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.819 3.858 -17.294 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.700 7.931 -17.871 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.104 7.471 -16.258 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.996 6.318 -17.609 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.474 2.683 -14.835 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.428 1.505 -13.978 1.00 0.00 C ATOM 1069 C ARG A 75 -20.110 0.253 -14.790 1.00 0.00 C ATOM 1070 O ARG A 75 -20.401 0.168 -15.984 1.00 0.00 O ATOM 1071 CB ARG A 75 -21.761 1.327 -13.248 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.952 1.187 -14.181 1.00 0.00 C ATOM 1073 CD ARG A 75 -23.578 2.538 -14.493 1.00 0.00 C ATOM 1074 NE ARG A 75 -24.368 3.046 -13.374 1.00 0.00 N ATOM 1075 CZ ARG A 75 -25.636 2.716 -13.161 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -26.256 1.882 -13.985 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -26.288 3.221 -12.121 1.00 0.00 N ATOM 0 H ARG A 75 -20.666 2.483 -15.817 1.00 0.00 H new ATOM 0 HA ARG A 75 -19.636 1.652 -13.244 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.702 0.443 -12.612 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.923 2.182 -12.591 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.635 0.709 -15.108 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -23.698 0.536 -13.725 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -22.793 3.254 -14.737 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.213 2.449 -15.374 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.921 3.689 -12.721 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -25.758 1.492 -14.785 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.230 1.631 -13.818 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.815 3.863 -11.485 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -27.262 2.967 -11.958 1.00 0.00 H new