USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=19 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 70 GLN : amide:sc= -0.0559 K(o=-2.4,f=-3.8) USER MOD Set 1.2: A 73 ASN : amide:sc= -2.33 K(o=-2.4,f=-9.7!) USER MOD Set 2.1: A 22 CYS SG : rot 91:sc= 0.715 USER MOD Set 2.2: A 25 CYS SG : rot -59:sc= -0.698 USER MOD Set 2.3: A 42 CYS SG : rot 83:sc= 1.05 USER MOD Set 2.4: A 45 CYS SG : rot 127:sc= -1.01 USER MOD Set 3.1: A 37 CYS SG : rot 167:sc= 0.358 USER MOD Set 3.2: A 39 HIS :FLIP no HD1:sc= -1.76 F(o=-1.1!,f=-0.42) USER MOD Set 3.3: A 62 CYS SG : rot 36:sc= 1.46 USER MOD Set 3.4: A 65 CYS SG : rot -49:sc= -0.469 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00335 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.97) 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 : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 47 THR OG1 : rot 85:sc= 0.0863 USER MOD Single : A 49 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.2) USER MOD Single : A 50 HIS : no HD1:sc= -0.09 X(o=-0.09,f=-0.2) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 160:sc= 0 USER MOD Single : A 54 MET CE :methyl -126:sc= -0.539 (180deg=-2.14!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 158:sc= -0.332 USER MOD Single : A 61 SER OG : rot 177:sc= 0.187! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 26:sc= -3.55! USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.288 -8.774 -26.686 1.00 0.00 N ATOM 233 CA GLU A 19 -6.389 -8.145 -27.405 1.00 0.00 C ATOM 234 C GLU A 19 -6.645 -6.734 -26.883 1.00 0.00 C ATOM 235 O GLU A 19 -6.660 -5.770 -27.649 1.00 0.00 O ATOM 236 CB GLU A 19 -7.660 -8.987 -27.274 1.00 0.00 C ATOM 237 CG GLU A 19 -7.996 -9.363 -25.841 1.00 0.00 C ATOM 238 CD GLU A 19 -8.998 -10.498 -25.756 1.00 0.00 C ATOM 239 OE1 GLU A 19 -10.081 -10.380 -26.367 1.00 0.00 O ATOM 240 OE2 GLU A 19 -8.700 -11.504 -25.078 1.00 0.00 O ATOM 0 HA GLU A 19 -6.111 -8.080 -28.457 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.497 -8.435 -27.702 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.545 -9.897 -27.862 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.082 -9.650 -25.321 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.396 -8.490 -25.325 1.00 0.00 H new ATOM 247 N VAL A 20 -6.846 -6.621 -25.574 1.00 0.00 N ATOM 248 CA VAL A 20 -7.100 -5.329 -24.949 1.00 0.00 C ATOM 249 C VAL A 20 -6.009 -4.981 -23.942 1.00 0.00 C ATOM 250 O VAL A 20 -5.729 -5.750 -23.022 1.00 0.00 O ATOM 251 CB VAL A 20 -8.466 -5.309 -24.236 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.754 -3.926 -23.673 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.569 -5.747 -25.188 1.00 0.00 C ATOM 0 H VAL A 20 -6.838 -7.409 -24.926 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.104 -4.587 -25.747 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.434 -6.013 -23.405 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.723 -3.931 -23.173 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.978 -3.656 -22.957 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.768 -3.199 -24.485 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.527 -5.727 -24.669 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.604 -5.069 -26.041 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.367 -6.759 -25.538 1.00 0.00 H new ATOM 263 N THR A 21 -5.395 -3.815 -24.122 1.00 0.00 N ATOM 264 CA THR A 21 -4.334 -3.365 -23.230 1.00 0.00 C ATOM 265 C THR A 21 -4.728 -2.079 -22.512 1.00 0.00 C ATOM 266 O THR A 21 -5.568 -1.319 -22.994 1.00 0.00 O ATOM 267 CB THR A 21 -3.019 -3.130 -23.996 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.656 -4.310 -24.721 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.897 -2.750 -23.042 1.00 0.00 C ATOM 0 H THR A 21 -5.615 -3.166 -24.877 1.00 0.00 H new ATOM 0 HA THR A 21 -4.182 -4.156 -22.495 1.00 0.00 H new ATOM 0 HB THR A 21 -3.174 -2.308 -24.695 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.820 -4.151 -25.207 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.978 -2.589 -23.606 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.163 -1.835 -22.513 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.744 -3.554 -22.322 1.00 0.00 H new ATOM 277 N CYS A 22 -4.115 -1.840 -21.358 1.00 0.00 N ATOM 278 CA CYS A 22 -4.401 -0.646 -20.572 1.00 0.00 C ATOM 279 C CYS A 22 -3.505 0.513 -20.999 1.00 0.00 C ATOM 280 O CYS A 22 -2.278 0.412 -21.005 1.00 0.00 O ATOM 281 CB CYS A 22 -4.208 -0.932 -19.082 1.00 0.00 C ATOM 282 SG CYS A 22 -4.624 0.471 -17.996 1.00 0.00 S ATOM 0 H CYS A 22 -3.416 -2.458 -20.946 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.439 -0.365 -20.749 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.824 -1.788 -18.804 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.170 -1.216 -18.909 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.874 0.395 -17.649 1.00 0.00 H new ATOM 287 N PRO A 23 -4.131 1.641 -21.365 1.00 0.00 N ATOM 288 CA PRO A 23 -3.410 2.842 -21.799 1.00 0.00 C ATOM 289 C PRO A 23 -2.660 3.513 -20.654 1.00 0.00 C ATOM 290 O PRO A 23 -1.996 4.532 -20.848 1.00 0.00 O ATOM 291 CB PRO A 23 -4.523 3.756 -22.318 1.00 0.00 C ATOM 292 CG PRO A 23 -5.746 3.314 -21.591 1.00 0.00 C ATOM 293 CD PRO A 23 -5.591 1.833 -21.382 1.00 0.00 C ATOM 0 HA PRO A 23 -2.647 2.613 -22.543 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.300 4.804 -22.118 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.646 3.657 -23.396 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.843 3.834 -20.638 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.644 3.535 -22.168 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.050 1.509 -20.448 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.062 1.263 -22.183 1.00 0.00 H new ATOM 301 N ILE A 24 -2.769 2.936 -19.462 1.00 0.00 N ATOM 302 CA ILE A 24 -2.099 3.479 -18.287 1.00 0.00 C ATOM 303 C ILE A 24 -0.885 2.637 -17.909 1.00 0.00 C ATOM 304 O ILE A 24 0.257 3.079 -18.044 1.00 0.00 O ATOM 305 CB ILE A 24 -3.053 3.555 -17.080 1.00 0.00 C ATOM 306 CG1 ILE A 24 -4.073 4.678 -17.279 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.265 3.768 -15.796 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.385 4.434 -16.567 1.00 0.00 C ATOM 0 H ILE A 24 -3.315 2.093 -19.285 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.773 4.486 -18.546 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.592 2.611 -17.000 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.644 5.615 -16.923 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.264 4.800 -18.345 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.952 3.820 -14.952 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.574 2.938 -15.651 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.703 4.700 -15.864 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.060 5.270 -16.752 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.836 3.514 -16.940 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.206 4.342 -15.496 1.00 0.00 H new ATOM 320 N CYS A 25 -1.138 1.422 -17.437 1.00 0.00 N ATOM 321 CA CYS A 25 -0.067 0.516 -17.040 1.00 0.00 C ATOM 322 C CYS A 25 0.518 -0.200 -18.254 1.00 0.00 C ATOM 323 O CYS A 25 1.509 -0.923 -18.145 1.00 0.00 O ATOM 324 CB CYS A 25 -0.585 -0.510 -16.030 1.00 0.00 C ATOM 325 SG CYS A 25 -1.998 -1.492 -16.627 1.00 0.00 S ATOM 0 H CYS A 25 -2.077 1.041 -17.320 1.00 0.00 H new ATOM 0 HA CYS A 25 0.721 1.108 -16.574 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.228 -1.186 -15.766 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.877 0.010 -15.117 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.981 -0.698 -16.930 1.00 0.00 H new ATOM 330 N LEU A 26 -0.102 0.006 -19.411 1.00 0.00 N ATOM 331 CA LEU A 26 0.356 -0.619 -20.647 1.00 0.00 C ATOM 332 C LEU A 26 0.798 -2.057 -20.398 1.00 0.00 C ATOM 333 O LEU A 26 1.873 -2.469 -20.832 1.00 0.00 O ATOM 334 CB LEU A 26 1.509 0.184 -21.250 1.00 0.00 C ATOM 335 CG LEU A 26 1.308 1.699 -21.322 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.576 2.384 -21.806 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.135 2.039 -22.230 1.00 0.00 C ATOM 0 H LEU A 26 -0.923 0.601 -19.519 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.477 -0.631 -21.350 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.408 -0.016 -20.667 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.694 -0.186 -22.258 1.00 0.00 H new ATOM 0 HG LEU A 26 1.083 2.064 -20.320 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.413 3.461 -21.851 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.392 2.168 -21.116 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.833 2.014 -22.799 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.007 3.121 -22.269 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.330 1.660 -23.233 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.773 1.580 -21.839 1.00 0.00 H new ATOM 349 N GLU A 27 -0.040 -2.816 -19.699 1.00 0.00 N ATOM 350 CA GLU A 27 0.265 -4.209 -19.395 1.00 0.00 C ATOM 351 C GLU A 27 -0.782 -5.140 -19.999 1.00 0.00 C ATOM 352 O GLU A 27 -0.500 -5.885 -20.939 1.00 0.00 O ATOM 353 CB GLU A 27 0.337 -4.420 -17.881 1.00 0.00 C ATOM 354 CG GLU A 27 1.414 -3.591 -17.202 1.00 0.00 C ATOM 355 CD GLU A 27 1.991 -4.274 -15.977 1.00 0.00 C ATOM 356 OE1 GLU A 27 1.263 -4.397 -14.970 1.00 0.00 O ATOM 357 OE2 GLU A 27 3.169 -4.684 -16.025 1.00 0.00 O ATOM 0 H GLU A 27 -0.935 -2.490 -19.333 1.00 0.00 H new ATOM 0 HA GLU A 27 1.234 -4.446 -19.835 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.630 -4.174 -17.442 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.520 -5.475 -17.678 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.216 -3.391 -17.913 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.996 -2.627 -16.913 1.00 0.00 H new ATOM 364 N LEU A 28 -1.993 -5.093 -19.454 1.00 0.00 N ATOM 365 CA LEU A 28 -3.084 -5.932 -19.938 1.00 0.00 C ATOM 366 C LEU A 28 -4.413 -5.504 -19.325 1.00 0.00 C ATOM 367 O LEU A 28 -4.494 -5.215 -18.130 1.00 0.00 O ATOM 368 CB LEU A 28 -2.808 -7.400 -19.611 1.00 0.00 C ATOM 369 CG LEU A 28 -4.013 -8.339 -19.668 1.00 0.00 C ATOM 370 CD1 LEU A 28 -4.660 -8.295 -21.044 1.00 0.00 C ATOM 371 CD2 LEU A 28 -3.600 -9.761 -19.316 1.00 0.00 C ATOM 0 H LEU A 28 -2.244 -4.483 -18.676 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.149 -5.813 -21.020 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.052 -7.770 -20.304 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.378 -7.454 -18.611 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.745 -8.003 -18.934 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.516 -8.970 -21.065 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.993 -7.279 -21.257 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.935 -8.604 -21.797 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.471 -10.415 -19.362 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.848 -10.108 -20.025 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.185 -9.780 -18.308 1.00 0.00 H new ATOM 383 N LEU A 29 -5.454 -5.467 -20.149 1.00 0.00 N ATOM 384 CA LEU A 29 -6.782 -5.077 -19.688 1.00 0.00 C ATOM 385 C LEU A 29 -7.709 -6.286 -19.612 1.00 0.00 C ATOM 386 O LEU A 29 -8.341 -6.661 -20.600 1.00 0.00 O ATOM 387 CB LEU A 29 -7.378 -4.021 -20.621 1.00 0.00 C ATOM 388 CG LEU A 29 -7.144 -2.564 -20.222 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.916 -1.629 -21.140 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.543 -2.338 -18.770 1.00 0.00 C ATOM 0 H LEU A 29 -5.404 -5.702 -21.140 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.683 -4.655 -18.688 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.968 -4.174 -21.619 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.453 -4.190 -20.689 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.081 -2.345 -20.324 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.737 -0.596 -20.841 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.583 -1.772 -22.168 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.981 -1.848 -21.070 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.370 -1.295 -18.503 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.599 -2.575 -18.642 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.946 -2.982 -18.124 1.00 0.00 H new ATOM 402 N THR A 30 -7.788 -6.891 -18.430 1.00 0.00 N ATOM 403 CA THR A 30 -8.638 -8.056 -18.224 1.00 0.00 C ATOM 404 C THR A 30 -9.947 -7.668 -17.546 1.00 0.00 C ATOM 405 O THR A 30 -10.004 -7.518 -16.326 1.00 0.00 O ATOM 406 CB THR A 30 -7.929 -9.125 -17.372 1.00 0.00 C ATOM 407 OG1 THR A 30 -6.629 -9.397 -17.908 1.00 0.00 O ATOM 408 CG2 THR A 30 -8.743 -10.410 -17.327 1.00 0.00 C ATOM 0 H THR A 30 -7.273 -6.593 -17.602 1.00 0.00 H new ATOM 0 HA THR A 30 -8.851 -8.470 -19.209 1.00 0.00 H new ATOM 0 HB THR A 30 -7.830 -8.741 -16.357 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.185 -10.076 -17.359 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.222 -11.150 -16.719 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.721 -10.206 -16.891 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.870 -10.796 -18.338 1.00 0.00 H new ATOM 416 N GLN A 31 -10.997 -7.509 -18.345 1.00 0.00 N ATOM 417 CA GLN A 31 -12.306 -7.138 -17.821 1.00 0.00 C ATOM 418 C GLN A 31 -12.285 -5.722 -17.254 1.00 0.00 C ATOM 419 O GLN A 31 -12.678 -5.478 -16.113 1.00 0.00 O ATOM 420 CB GLN A 31 -12.744 -8.127 -16.739 1.00 0.00 C ATOM 421 CG GLN A 31 -12.706 -9.578 -17.189 1.00 0.00 C ATOM 422 CD GLN A 31 -13.324 -10.521 -16.175 1.00 0.00 C ATOM 423 OE1 GLN A 31 -13.809 -10.092 -15.128 1.00 0.00 O ATOM 424 NE2 GLN A 31 -13.309 -11.812 -16.482 1.00 0.00 N ATOM 0 H GLN A 31 -10.967 -7.631 -19.357 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.021 -7.169 -18.643 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.099 -8.009 -15.868 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.757 -7.880 -16.422 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.234 -9.674 -18.138 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.672 -9.871 -17.369 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.896 -12.122 -17.362 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.710 -12.494 -15.838 1.00 0.00 H new ATOM 433 N PRO A 32 -11.814 -4.766 -18.068 1.00 0.00 N ATOM 434 CA PRO A 32 -11.731 -3.358 -17.669 1.00 0.00 C ATOM 435 C PRO A 32 -13.104 -2.709 -17.539 1.00 0.00 C ATOM 436 O PRO A 32 -14.129 -3.392 -17.563 1.00 0.00 O ATOM 437 CB PRO A 32 -10.940 -2.712 -18.809 1.00 0.00 C ATOM 438 CG PRO A 32 -11.187 -3.591 -19.987 1.00 0.00 C ATOM 439 CD PRO A 32 -11.329 -4.985 -19.441 1.00 0.00 C ATOM 0 HA PRO A 32 -11.268 -3.240 -16.689 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.278 -1.693 -18.998 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.877 -2.657 -18.572 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.088 -3.287 -20.519 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.362 -3.532 -20.697 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.033 -5.576 -20.026 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.379 -5.519 -19.451 1.00 0.00 H new ATOM 447 N LEU A 33 -13.119 -1.387 -17.403 1.00 0.00 N ATOM 448 CA LEU A 33 -14.368 -0.646 -17.271 1.00 0.00 C ATOM 449 C LEU A 33 -14.710 0.082 -18.567 1.00 0.00 C ATOM 450 O LEU A 33 -13.851 0.274 -19.428 1.00 0.00 O ATOM 451 CB LEU A 33 -14.269 0.358 -16.120 1.00 0.00 C ATOM 452 CG LEU A 33 -13.783 -0.201 -14.782 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.858 0.865 -13.700 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.599 -1.423 -14.387 1.00 0.00 C ATOM 0 H LEU A 33 -12.280 -0.807 -17.381 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.164 -1.360 -17.056 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.596 1.161 -16.421 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.251 0.805 -15.969 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.742 -0.504 -14.893 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.508 0.449 -12.755 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.230 1.711 -13.979 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.890 1.200 -13.590 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.239 -1.808 -13.433 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.649 -1.145 -14.294 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.494 -2.193 -15.151 1.00 0.00 H new ATOM 466 N SER A 34 -15.969 0.486 -18.699 1.00 0.00 N ATOM 467 CA SER A 34 -16.425 1.191 -19.891 1.00 0.00 C ATOM 468 C SER A 34 -16.795 2.634 -19.560 1.00 0.00 C ATOM 469 O SER A 34 -17.209 2.940 -18.441 1.00 0.00 O ATOM 470 CB SER A 34 -17.627 0.472 -20.506 1.00 0.00 C ATOM 471 OG SER A 34 -18.086 1.147 -21.665 1.00 0.00 O ATOM 0 H SER A 34 -16.692 0.337 -17.995 1.00 0.00 H new ATOM 0 HA SER A 34 -15.608 1.200 -20.613 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.351 -0.551 -20.762 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.432 0.411 -19.774 1.00 0.00 H new ATOM 0 HG SER A 34 -18.854 0.667 -22.041 1.00 0.00 H new ATOM 477 N LEU A 35 -16.644 3.517 -20.541 1.00 0.00 N ATOM 478 CA LEU A 35 -16.962 4.928 -20.356 1.00 0.00 C ATOM 479 C LEU A 35 -17.788 5.458 -21.524 1.00 0.00 C ATOM 480 O LEU A 35 -17.954 4.779 -22.538 1.00 0.00 O ATOM 481 CB LEU A 35 -15.678 5.746 -20.212 1.00 0.00 C ATOM 482 CG LEU A 35 -14.647 5.208 -19.220 1.00 0.00 C ATOM 483 CD1 LEU A 35 -13.321 5.937 -19.379 1.00 0.00 C ATOM 484 CD2 LEU A 35 -15.161 5.337 -17.794 1.00 0.00 C ATOM 0 H LEU A 35 -16.303 3.280 -21.473 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.552 5.025 -19.444 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.206 5.819 -21.192 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.948 6.758 -19.912 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.484 4.151 -19.432 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.600 5.540 -18.664 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.945 5.792 -20.392 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.467 7.001 -19.195 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.414 4.949 -17.101 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.353 6.386 -17.570 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.085 4.768 -17.687 1.00 0.00 H new ATOM 496 N ASP A 36 -18.301 6.674 -21.376 1.00 0.00 N ATOM 497 CA ASP A 36 -19.107 7.296 -22.420 1.00 0.00 C ATOM 498 C ASP A 36 -18.223 8.022 -23.429 1.00 0.00 C ATOM 499 O ASP A 36 -18.630 9.022 -24.022 1.00 0.00 O ATOM 500 CB ASP A 36 -20.109 8.275 -21.805 1.00 0.00 C ATOM 501 CG ASP A 36 -19.539 9.672 -21.660 1.00 0.00 C ATOM 502 OD1 ASP A 36 -18.300 9.802 -21.586 1.00 0.00 O ATOM 503 OD2 ASP A 36 -20.333 10.636 -21.619 1.00 0.00 O ATOM 0 H ASP A 36 -18.173 7.249 -20.543 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.652 6.509 -22.941 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -21.003 8.313 -22.427 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.417 7.908 -20.826 1.00 0.00 H new ATOM 508 N CYS A 37 -17.010 7.513 -23.619 1.00 0.00 N ATOM 509 CA CYS A 37 -16.066 8.112 -24.555 1.00 0.00 C ATOM 510 C CYS A 37 -15.582 7.083 -25.572 1.00 0.00 C ATOM 511 O CYS A 37 -15.379 7.400 -26.743 1.00 0.00 O ATOM 512 CB CYS A 37 -14.873 8.701 -23.801 1.00 0.00 C ATOM 513 SG CYS A 37 -13.759 7.453 -23.080 1.00 0.00 S ATOM 0 H CYS A 37 -16.658 6.686 -23.137 1.00 0.00 H new ATOM 0 HA CYS A 37 -16.580 8.911 -25.090 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -14.302 9.332 -24.482 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -15.243 9.346 -23.004 1.00 0.00 H new ATOM 0 HG CYS A 37 -12.647 8.021 -22.719 1.00 0.00 H new ATOM 518 N GLY A 38 -15.397 5.848 -25.115 1.00 0.00 N ATOM 519 CA GLY A 38 -14.938 4.791 -25.997 1.00 0.00 C ATOM 520 C GLY A 38 -13.550 4.298 -25.638 1.00 0.00 C ATOM 521 O GLY A 38 -12.720 4.064 -26.517 1.00 0.00 O ATOM 0 H GLY A 38 -15.557 5.561 -24.149 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.639 3.957 -25.955 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.937 5.154 -27.025 1.00 0.00 H new ATOM 525 N HIS A 39 -13.296 4.141 -24.343 1.00 0.00 N ATOM 526 CA HIS A 39 -11.998 3.674 -23.869 1.00 0.00 C ATOM 527 C HIS A 39 -12.140 2.922 -22.549 1.00 0.00 C ATOM 528 O HIS A 39 -12.914 3.318 -21.678 1.00 0.00 O ATOM 529 CB HIS A 39 -11.040 4.853 -23.697 1.00 0.00 C ATOM 530 CG HIS A 39 -10.733 5.567 -24.978 1.00 0.00 C ATOM 531 ND1 HIS A 39 -10.270 5.103 -26.162 1.00 0.00 N flip ATOM 532 CD2 HIS A 39 -10.895 6.927 -25.138 1.00 0.00 C flip ATOM 533 CE1 HIS A 39 -10.163 6.179 -27.008 1.00 0.00 C flip ATOM 534 NE2 HIS A 39 -10.547 7.268 -26.366 1.00 0.00 N flip ATOM 0 H HIS A 39 -13.972 4.330 -23.603 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.591 2.991 -24.614 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.472 5.561 -22.990 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.109 4.493 -23.259 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.251 7.607 -24.378 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.821 6.141 -28.032 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.571 8.212 -26.753 1.00 0.00 H new ATOM 542 N SER A 40 -11.387 1.835 -22.409 1.00 0.00 N ATOM 543 CA SER A 40 -11.433 1.025 -21.198 1.00 0.00 C ATOM 544 C SER A 40 -10.194 1.262 -20.339 1.00 0.00 C ATOM 545 O SER A 40 -9.206 1.835 -20.799 1.00 0.00 O ATOM 546 CB SER A 40 -11.543 -0.458 -21.555 1.00 0.00 C ATOM 547 OG SER A 40 -12.260 -0.640 -22.764 1.00 0.00 O ATOM 0 H SER A 40 -10.738 1.496 -23.119 1.00 0.00 H new ATOM 0 HA SER A 40 -12.313 1.320 -20.626 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.546 -0.887 -21.652 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.043 -0.993 -20.748 1.00 0.00 H new ATOM 0 HG SER A 40 -12.315 -1.596 -22.971 1.00 0.00 H new ATOM 553 N PHE A 41 -10.255 0.818 -19.088 1.00 0.00 N ATOM 554 CA PHE A 41 -9.140 0.982 -18.163 1.00 0.00 C ATOM 555 C PHE A 41 -9.261 0.016 -16.988 1.00 0.00 C ATOM 556 O PHE A 41 -10.230 -0.736 -16.885 1.00 0.00 O ATOM 557 CB PHE A 41 -9.082 2.422 -17.651 1.00 0.00 C ATOM 558 CG PHE A 41 -9.012 3.446 -18.747 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.149 3.800 -19.457 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.810 4.056 -19.068 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.087 4.741 -20.466 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.742 4.999 -20.076 1.00 0.00 C ATOM 563 CZ PHE A 41 -8.882 5.342 -20.776 1.00 0.00 C ATOM 0 H PHE A 41 -11.065 0.342 -18.691 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.219 0.758 -18.701 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.962 2.617 -17.038 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.212 2.534 -17.004 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.094 3.335 -19.218 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.915 3.791 -18.524 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -10.980 5.007 -21.012 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.799 5.467 -20.316 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.832 6.079 -21.564 1.00 0.00 H new ATOM 573 N CYS A 42 -8.270 0.043 -16.104 1.00 0.00 N ATOM 574 CA CYS A 42 -8.263 -0.830 -14.936 1.00 0.00 C ATOM 575 C CYS A 42 -9.030 -0.196 -13.778 1.00 0.00 C ATOM 576 O CYS A 42 -8.793 0.959 -13.424 1.00 0.00 O ATOM 577 CB CYS A 42 -6.826 -1.130 -14.506 1.00 0.00 C ATOM 578 SG CYS A 42 -5.838 -1.998 -15.767 1.00 0.00 S ATOM 0 H CYS A 42 -7.461 0.660 -16.174 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.756 -1.763 -15.208 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.330 -0.193 -14.254 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.848 -1.733 -13.598 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.367 -1.136 -16.618 1.00 0.00 H new ATOM 583 N GLN A 43 -9.947 -0.960 -13.195 1.00 0.00 N ATOM 584 CA GLN A 43 -10.749 -0.472 -12.079 1.00 0.00 C ATOM 585 C GLN A 43 -9.883 0.285 -11.077 1.00 0.00 C ATOM 586 O GLN A 43 -10.382 1.102 -10.304 1.00 0.00 O ATOM 587 CB GLN A 43 -11.454 -1.637 -11.383 1.00 0.00 C ATOM 588 CG GLN A 43 -12.105 -1.254 -10.063 1.00 0.00 C ATOM 589 CD GLN A 43 -13.318 -2.105 -9.742 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.327 -1.605 -9.244 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.225 -3.399 -10.025 1.00 0.00 N ATOM 0 H GLN A 43 -10.153 -1.919 -13.476 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.499 0.213 -12.475 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.215 -2.041 -12.050 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.732 -2.434 -11.205 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.374 -1.352 -9.260 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.401 -0.205 -10.099 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.369 -3.771 -10.437 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.009 -4.021 -9.830 1.00 0.00 H new ATOM 600 N ALA A 44 -8.584 0.007 -11.096 1.00 0.00 N ATOM 601 CA ALA A 44 -7.649 0.663 -10.190 1.00 0.00 C ATOM 602 C ALA A 44 -6.984 1.860 -10.861 1.00 0.00 C ATOM 603 O ALA A 44 -7.100 2.992 -10.389 1.00 0.00 O ATOM 604 CB ALA A 44 -6.597 -0.327 -9.711 1.00 0.00 C ATOM 0 H ALA A 44 -8.155 -0.668 -11.729 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.209 1.027 -9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.905 0.176 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.083 -1.149 -9.186 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.048 -0.717 -10.568 1.00 0.00 H new ATOM 610 N CYS A 45 -6.288 1.605 -11.963 1.00 0.00 N ATOM 611 CA CYS A 45 -5.603 2.662 -12.698 1.00 0.00 C ATOM 612 C CYS A 45 -6.479 3.907 -12.802 1.00 0.00 C ATOM 613 O CYS A 45 -6.003 5.030 -12.633 1.00 0.00 O ATOM 614 CB CYS A 45 -5.223 2.174 -14.097 1.00 0.00 C ATOM 615 SG CYS A 45 -3.961 0.861 -14.109 1.00 0.00 S ATOM 0 H CYS A 45 -6.183 0.675 -12.368 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.696 2.922 -12.152 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.119 1.807 -14.598 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.857 3.020 -14.678 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.394 -0.150 -14.802 1.00 0.00 H new ATOM 620 N LEU A 46 -7.761 3.700 -13.079 1.00 0.00 N ATOM 621 CA LEU A 46 -8.705 4.805 -13.205 1.00 0.00 C ATOM 622 C LEU A 46 -8.780 5.608 -11.911 1.00 0.00 C ATOM 623 O LEU A 46 -8.713 6.837 -11.924 1.00 0.00 O ATOM 624 CB LEU A 46 -10.093 4.277 -13.572 1.00 0.00 C ATOM 625 CG LEU A 46 -10.417 4.221 -15.066 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.515 3.204 -15.336 1.00 0.00 C ATOM 627 CD2 LEU A 46 -10.824 5.596 -15.575 1.00 0.00 C ATOM 0 H LEU A 46 -8.171 2.777 -13.221 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.352 5.463 -13.999 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.199 3.273 -13.160 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.839 4.903 -13.082 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.521 3.908 -15.601 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.732 3.178 -16.404 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.186 2.218 -15.008 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.415 3.486 -14.790 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.051 5.537 -16.640 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.707 5.938 -15.034 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.007 6.299 -15.416 1.00 0.00 H new ATOM 639 N THR A 47 -8.917 4.904 -10.791 1.00 0.00 N ATOM 640 CA THR A 47 -9.000 5.550 -9.487 1.00 0.00 C ATOM 641 C THR A 47 -7.822 6.492 -9.265 1.00 0.00 C ATOM 642 O THR A 47 -7.991 7.607 -8.772 1.00 0.00 O ATOM 643 CB THR A 47 -9.037 4.514 -8.348 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.201 3.689 -8.473 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.040 5.202 -6.991 1.00 0.00 C ATOM 0 H THR A 47 -8.973 3.886 -10.761 1.00 0.00 H new ATOM 0 HA THR A 47 -9.927 6.123 -9.476 1.00 0.00 H new ATOM 0 HB THR A 47 -8.144 3.894 -8.422 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.016 2.954 -9.094 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.066 4.450 -6.202 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.138 5.806 -6.887 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.917 5.844 -6.910 1.00 0.00 H new ATOM 653 N ALA A 48 -6.629 6.036 -9.631 1.00 0.00 N ATOM 654 CA ALA A 48 -5.423 6.839 -9.474 1.00 0.00 C ATOM 655 C ALA A 48 -5.421 8.021 -10.438 1.00 0.00 C ATOM 656 O ALA A 48 -5.206 9.163 -10.034 1.00 0.00 O ATOM 657 CB ALA A 48 -4.185 5.980 -9.687 1.00 0.00 C ATOM 0 H ALA A 48 -6.472 5.114 -10.038 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.408 7.232 -8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.292 6.593 -9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.172 5.172 -8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.203 5.559 -10.692 1.00 0.00 H new ATOM 663 N ASN A 49 -5.660 7.738 -11.714 1.00 0.00 N ATOM 664 CA ASN A 49 -5.685 8.779 -12.736 1.00 0.00 C ATOM 665 C ASN A 49 -6.622 9.914 -12.334 1.00 0.00 C ATOM 666 O ASN A 49 -6.262 11.089 -12.418 1.00 0.00 O ATOM 667 CB ASN A 49 -6.122 8.193 -14.080 1.00 0.00 C ATOM 668 CG ASN A 49 -5.807 9.114 -15.242 1.00 0.00 C ATOM 669 OD1 ASN A 49 -4.701 9.095 -15.782 1.00 0.00 O ATOM 670 ND2 ASN A 49 -6.781 9.927 -15.634 1.00 0.00 N ATOM 0 H ASN A 49 -5.839 6.797 -12.065 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.677 9.182 -12.834 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.625 7.235 -14.234 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.194 7.996 -14.056 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.627 10.569 -16.411 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.683 9.909 -15.158 1.00 0.00 H new ATOM 677 N HIS A 50 -7.825 9.554 -11.897 1.00 0.00 N ATOM 678 CA HIS A 50 -8.814 10.542 -11.481 1.00 0.00 C ATOM 679 C HIS A 50 -8.178 11.604 -10.589 1.00 0.00 C ATOM 680 O HIS A 50 -8.504 12.788 -10.685 1.00 0.00 O ATOM 681 CB HIS A 50 -9.966 9.861 -10.742 1.00 0.00 C ATOM 682 CG HIS A 50 -10.906 9.126 -11.646 1.00 0.00 C ATOM 683 ND1 HIS A 50 -10.691 8.983 -13.001 1.00 0.00 N ATOM 684 CD2 HIS A 50 -12.071 8.489 -11.383 1.00 0.00 C ATOM 685 CE1 HIS A 50 -11.683 8.292 -13.532 1.00 0.00 C ATOM 686 NE2 HIS A 50 -12.534 7.979 -12.571 1.00 0.00 N ATOM 0 H HIS A 50 -8.138 8.586 -11.822 1.00 0.00 H new ATOM 0 HA HIS A 50 -9.204 11.029 -12.375 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.556 9.163 -10.012 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.524 10.613 -10.185 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.548 8.399 -10.418 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -11.782 8.028 -14.574 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.395 7.445 -12.692 1.00 0.00 H new ATOM 694 N LYS A 51 -7.270 11.174 -9.720 1.00 0.00 N ATOM 695 CA LYS A 51 -6.588 12.087 -8.811 1.00 0.00 C ATOM 696 C LYS A 51 -5.473 12.840 -9.530 1.00 0.00 C ATOM 697 O LYS A 51 -5.104 13.947 -9.138 1.00 0.00 O ATOM 698 CB LYS A 51 -6.012 11.317 -7.620 1.00 0.00 C ATOM 699 CG LYS A 51 -7.070 10.663 -6.749 1.00 0.00 C ATOM 700 CD LYS A 51 -6.523 9.442 -6.029 1.00 0.00 C ATOM 701 CE LYS A 51 -7.642 8.561 -5.496 1.00 0.00 C ATOM 702 NZ LYS A 51 -7.117 7.420 -4.695 1.00 0.00 N ATOM 0 H LYS A 51 -6.989 10.198 -9.626 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.317 12.812 -8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.332 10.549 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.421 11.999 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.437 11.383 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.921 10.372 -7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.898 8.865 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.885 9.760 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.313 9.159 -4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.231 8.179 -6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.911 6.844 -4.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.497 6.834 -5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.576 7.784 -3.885 1.00 0.00 H new ATOM 716 N LYS A 52 -4.941 12.233 -10.585 1.00 0.00 N ATOM 717 CA LYS A 52 -3.870 12.846 -11.362 1.00 0.00 C ATOM 718 C LYS A 52 -4.308 14.196 -11.921 1.00 0.00 C ATOM 719 O LYS A 52 -3.829 15.244 -11.486 1.00 0.00 O ATOM 720 CB LYS A 52 -3.448 11.922 -12.506 1.00 0.00 C ATOM 721 CG LYS A 52 -1.967 11.998 -12.835 1.00 0.00 C ATOM 722 CD LYS A 52 -1.691 13.009 -13.935 1.00 0.00 C ATOM 723 CE LYS A 52 -1.335 14.373 -13.362 1.00 0.00 C ATOM 724 NZ LYS A 52 -1.203 15.404 -14.428 1.00 0.00 N ATOM 0 H LYS A 52 -5.234 11.316 -10.922 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.020 13.005 -10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.701 10.895 -12.244 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.023 12.175 -13.397 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.408 12.271 -11.940 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.611 11.015 -13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.874 12.652 -14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.568 13.100 -14.576 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.103 14.681 -12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.399 14.301 -12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.960 16.319 -13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.453 15.123 -15.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.104 15.491 -14.940 1.00 0.00 H new ATOM 738 N SER A 53 -5.221 14.164 -12.886 1.00 0.00 N ATOM 739 CA SER A 53 -5.722 15.386 -13.506 1.00 0.00 C ATOM 740 C SER A 53 -6.729 16.083 -12.596 1.00 0.00 C ATOM 741 O SER A 53 -7.805 16.486 -13.036 1.00 0.00 O ATOM 742 CB SER A 53 -6.371 15.070 -14.855 1.00 0.00 C ATOM 743 OG SER A 53 -5.426 15.158 -15.908 1.00 0.00 O ATOM 0 H SER A 53 -5.629 13.306 -13.256 1.00 0.00 H new ATOM 0 HA SER A 53 -4.877 16.056 -13.665 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.800 14.068 -14.830 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.191 15.764 -15.039 1.00 0.00 H new ATOM 0 HG SER A 53 -5.754 14.658 -16.685 1.00 0.00 H new ATOM 749 N MET A 54 -6.370 16.222 -11.324 1.00 0.00 N ATOM 750 CA MET A 54 -7.241 16.872 -10.351 1.00 0.00 C ATOM 751 C MET A 54 -6.503 17.992 -9.624 1.00 0.00 C ATOM 752 O MET A 54 -7.074 19.047 -9.347 1.00 0.00 O ATOM 753 CB MET A 54 -7.764 15.850 -9.340 1.00 0.00 C ATOM 754 CG MET A 54 -8.765 16.428 -8.353 1.00 0.00 C ATOM 755 SD MET A 54 -9.934 15.197 -7.747 1.00 0.00 S ATOM 756 CE MET A 54 -10.747 14.723 -9.271 1.00 0.00 C ATOM 0 H MET A 54 -5.483 15.894 -10.943 1.00 0.00 H new ATOM 0 HA MET A 54 -8.085 17.305 -10.888 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.232 15.026 -9.878 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.921 15.433 -8.788 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.228 16.860 -7.508 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.313 17.240 -8.831 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.825 14.834 -9.158 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.400 15.362 -10.083 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.511 13.684 -9.501 1.00 0.00 H new ATOM 766 N LEU A 55 -5.233 17.755 -9.316 1.00 0.00 N ATOM 767 CA LEU A 55 -4.417 18.744 -8.620 1.00 0.00 C ATOM 768 C LEU A 55 -3.841 19.761 -9.600 1.00 0.00 C ATOM 769 O LEU A 55 -3.454 20.863 -9.210 1.00 0.00 O ATOM 770 CB LEU A 55 -3.284 18.054 -7.858 1.00 0.00 C ATOM 771 CG LEU A 55 -2.255 17.313 -8.712 1.00 0.00 C ATOM 772 CD1 LEU A 55 -0.864 17.455 -8.115 1.00 0.00 C ATOM 773 CD2 LEU A 55 -2.632 15.844 -8.846 1.00 0.00 C ATOM 0 H LEU A 55 -4.746 16.887 -9.537 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.055 19.271 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.762 18.805 -7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.724 17.344 -7.157 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.248 17.759 -9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.145 16.921 -8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.593 18.510 -8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.855 17.036 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.889 15.332 -9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.667 15.386 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.610 15.761 -9.319 1.00 0.00 H new ATOM 785 N ASP A 56 -3.790 19.385 -10.873 1.00 0.00 N ATOM 786 CA ASP A 56 -3.264 20.266 -11.910 1.00 0.00 C ATOM 787 C ASP A 56 -4.315 21.283 -12.343 1.00 0.00 C ATOM 788 O ASP A 56 -4.116 22.491 -12.215 1.00 0.00 O ATOM 789 CB ASP A 56 -2.800 19.448 -13.116 1.00 0.00 C ATOM 790 CG ASP A 56 -2.230 20.317 -14.220 1.00 0.00 C ATOM 791 OD1 ASP A 56 -2.770 21.420 -14.445 1.00 0.00 O ATOM 792 OD2 ASP A 56 -1.244 19.894 -14.859 1.00 0.00 O ATOM 0 H ASP A 56 -4.106 18.476 -11.212 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.412 20.805 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.045 18.730 -12.796 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.640 18.874 -13.507 1.00 0.00 H new ATOM 797 N LYS A 57 -5.435 20.786 -12.858 1.00 0.00 N ATOM 798 CA LYS A 57 -6.519 21.650 -13.311 1.00 0.00 C ATOM 799 C LYS A 57 -7.763 21.459 -12.449 1.00 0.00 C ATOM 800 O LYS A 57 -8.363 22.427 -11.985 1.00 0.00 O ATOM 801 CB LYS A 57 -6.851 21.360 -14.776 1.00 0.00 C ATOM 802 CG LYS A 57 -5.724 21.704 -15.735 1.00 0.00 C ATOM 803 CD LYS A 57 -5.993 21.163 -17.129 1.00 0.00 C ATOM 804 CE LYS A 57 -5.431 19.761 -17.301 1.00 0.00 C ATOM 805 NZ LYS A 57 -3.974 19.781 -17.608 1.00 0.00 N ATOM 0 H LYS A 57 -5.616 19.789 -12.972 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.189 22.685 -13.218 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.097 20.303 -14.882 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.741 21.924 -15.057 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.602 22.786 -15.781 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.787 21.293 -15.359 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.067 21.151 -17.315 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.549 21.828 -17.870 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.602 19.187 -16.390 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.964 19.252 -18.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.629 18.806 -17.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.812 20.307 -18.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.462 20.244 -16.830 1.00 0.00 H new ATOM 819 N GLY A 58 -8.144 20.202 -12.238 1.00 0.00 N ATOM 820 CA GLY A 58 -9.314 19.908 -11.431 1.00 0.00 C ATOM 821 C GLY A 58 -10.377 19.153 -12.205 1.00 0.00 C ATOM 822 O GLY A 58 -11.570 19.404 -12.038 1.00 0.00 O ATOM 0 H GLY A 58 -7.664 19.383 -12.611 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.015 19.320 -10.563 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.736 20.840 -11.055 1.00 0.00 H new ATOM 826 N GLU A 59 -9.943 18.228 -13.056 1.00 0.00 N ATOM 827 CA GLU A 59 -10.867 17.437 -13.860 1.00 0.00 C ATOM 828 C GLU A 59 -10.141 16.284 -14.546 1.00 0.00 C ATOM 829 O GLU A 59 -9.265 16.499 -15.384 1.00 0.00 O ATOM 830 CB GLU A 59 -11.551 18.319 -14.906 1.00 0.00 C ATOM 831 CG GLU A 59 -10.590 19.214 -15.670 1.00 0.00 C ATOM 832 CD GLU A 59 -11.199 19.776 -16.940 1.00 0.00 C ATOM 833 OE1 GLU A 59 -12.339 20.282 -16.878 1.00 0.00 O ATOM 834 OE2 GLU A 59 -10.535 19.711 -17.995 1.00 0.00 O ATOM 0 H GLU A 59 -8.958 18.008 -13.206 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.624 17.022 -13.195 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.082 17.683 -15.614 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.298 18.940 -14.412 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.277 20.037 -15.027 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.694 18.647 -15.922 1.00 0.00 H new ATOM 841 N SER A 60 -10.512 15.060 -14.185 1.00 0.00 N ATOM 842 CA SER A 60 -9.894 13.872 -14.762 1.00 0.00 C ATOM 843 C SER A 60 -10.955 12.901 -15.272 1.00 0.00 C ATOM 844 O SER A 60 -11.480 12.085 -14.516 1.00 0.00 O ATOM 845 CB SER A 60 -9.007 13.178 -13.726 1.00 0.00 C ATOM 846 OG SER A 60 -8.429 11.999 -14.258 1.00 0.00 O ATOM 0 H SER A 60 -11.238 14.865 -13.495 1.00 0.00 H new ATOM 0 HA SER A 60 -9.278 14.186 -15.605 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.220 13.859 -13.402 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.598 12.931 -12.844 1.00 0.00 H new ATOM 0 HG SER A 60 -7.625 11.769 -13.747 1.00 0.00 H new ATOM 852 N SER A 61 -11.264 12.997 -16.561 1.00 0.00 N ATOM 853 CA SER A 61 -12.265 12.130 -17.174 1.00 0.00 C ATOM 854 C SER A 61 -11.607 10.922 -17.833 1.00 0.00 C ATOM 855 O SER A 61 -11.650 9.811 -17.304 1.00 0.00 O ATOM 856 CB SER A 61 -13.081 12.909 -18.207 1.00 0.00 C ATOM 857 OG SER A 61 -12.273 13.300 -19.305 1.00 0.00 O ATOM 0 H SER A 61 -10.836 13.666 -17.201 1.00 0.00 H new ATOM 0 HA SER A 61 -12.932 11.774 -16.389 1.00 0.00 H new ATOM 0 HB2 SER A 61 -13.908 12.294 -18.561 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.517 13.792 -17.740 1.00 0.00 H new ATOM 0 HG SER A 61 -12.828 13.753 -19.974 1.00 0.00 H new ATOM 863 N CYS A 62 -10.998 11.148 -18.993 1.00 0.00 N ATOM 864 CA CYS A 62 -10.330 10.080 -19.727 1.00 0.00 C ATOM 865 C CYS A 62 -8.919 10.497 -20.131 1.00 0.00 C ATOM 866 O CYS A 62 -8.717 11.461 -20.870 1.00 0.00 O ATOM 867 CB CYS A 62 -11.139 9.705 -20.970 1.00 0.00 C ATOM 868 SG CYS A 62 -10.515 8.236 -21.848 1.00 0.00 S ATOM 0 H CYS A 62 -10.954 12.062 -19.445 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.259 9.212 -19.072 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -12.174 9.528 -20.677 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.143 10.551 -21.657 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.068 7.372 -20.985 1.00 0.00 H new ATOM 873 N PRO A 63 -7.918 9.755 -19.635 1.00 0.00 N ATOM 874 CA PRO A 63 -6.509 10.027 -19.931 1.00 0.00 C ATOM 875 C PRO A 63 -6.150 9.718 -21.381 1.00 0.00 C ATOM 876 O PRO A 63 -4.978 9.727 -21.757 1.00 0.00 O ATOM 877 CB PRO A 63 -5.759 9.088 -18.984 1.00 0.00 C ATOM 878 CG PRO A 63 -6.714 7.975 -18.719 1.00 0.00 C ATOM 879 CD PRO A 63 -8.085 8.591 -18.748 1.00 0.00 C ATOM 0 HA PRO A 63 -6.261 11.080 -19.795 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.839 8.720 -19.438 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.478 9.597 -18.062 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.621 7.193 -19.473 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.515 7.511 -17.753 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.830 7.895 -19.134 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.413 8.889 -17.752 1.00 0.00 H new ATOM 887 N VAL A 64 -7.168 9.446 -22.192 1.00 0.00 N ATOM 888 CA VAL A 64 -6.960 9.136 -23.601 1.00 0.00 C ATOM 889 C VAL A 64 -7.579 10.204 -24.496 1.00 0.00 C ATOM 890 O VAL A 64 -6.997 10.595 -25.509 1.00 0.00 O ATOM 891 CB VAL A 64 -7.559 7.765 -23.969 1.00 0.00 C ATOM 892 CG1 VAL A 64 -7.381 7.485 -25.453 1.00 0.00 C ATOM 893 CG2 VAL A 64 -6.924 6.665 -23.131 1.00 0.00 C ATOM 0 H VAL A 64 -8.144 9.434 -21.897 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.882 9.109 -23.763 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.627 7.785 -23.753 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.810 6.512 -25.694 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.886 8.258 -26.032 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.319 7.484 -25.698 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.358 5.703 -23.404 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.850 6.643 -23.314 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.108 6.860 -22.075 1.00 0.00 H new ATOM 903 N CYS A 65 -8.762 10.674 -24.115 1.00 0.00 N ATOM 904 CA CYS A 65 -9.461 11.698 -24.882 1.00 0.00 C ATOM 905 C CYS A 65 -9.857 12.871 -23.990 1.00 0.00 C ATOM 906 O CYS A 65 -10.060 13.987 -24.467 1.00 0.00 O ATOM 907 CB CYS A 65 -10.706 11.107 -25.547 1.00 0.00 C ATOM 908 SG CYS A 65 -11.886 10.355 -24.381 1.00 0.00 S ATOM 0 H CYS A 65 -9.257 10.362 -23.279 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.783 12.063 -25.654 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -11.214 11.893 -26.105 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.395 10.353 -26.270 1.00 0.00 H new ATOM 0 HG CYS A 65 -11.252 9.550 -23.581 1.00 0.00 H new ATOM 913 N ARG A 66 -9.964 12.609 -22.691 1.00 0.00 N ATOM 914 CA ARG A 66 -10.337 13.642 -21.731 1.00 0.00 C ATOM 915 C ARG A 66 -11.664 14.289 -22.117 1.00 0.00 C ATOM 916 O ARG A 66 -11.796 15.513 -22.103 1.00 0.00 O ATOM 917 CB ARG A 66 -9.243 14.708 -21.647 1.00 0.00 C ATOM 918 CG ARG A 66 -7.992 14.241 -20.920 1.00 0.00 C ATOM 919 CD ARG A 66 -8.258 14.024 -19.438 1.00 0.00 C ATOM 920 NE ARG A 66 -8.643 15.262 -18.764 1.00 0.00 N ATOM 921 CZ ARG A 66 -7.783 16.221 -18.442 1.00 0.00 C ATOM 922 NH1 ARG A 66 -6.496 16.087 -18.732 1.00 0.00 N ATOM 923 NH2 ARG A 66 -8.210 17.318 -17.830 1.00 0.00 N ATOM 0 H ARG A 66 -9.798 11.691 -22.279 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.452 13.171 -20.755 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.972 15.019 -22.656 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.642 15.586 -21.139 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.635 13.313 -21.367 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.200 14.980 -21.044 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.049 13.284 -19.316 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.364 13.617 -18.965 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.626 15.397 -18.528 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.164 15.246 -19.204 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.838 16.825 -18.483 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.199 17.425 -17.607 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.549 18.054 -17.583 1.00 0.00 H new ATOM 937 N ILE A 67 -12.643 13.459 -22.460 1.00 0.00 N ATOM 938 CA ILE A 67 -13.959 13.950 -22.848 1.00 0.00 C ATOM 939 C ILE A 67 -14.766 14.383 -21.628 1.00 0.00 C ATOM 940 O ILE A 67 -14.570 13.869 -20.527 1.00 0.00 O ATOM 941 CB ILE A 67 -14.753 12.881 -23.622 1.00 0.00 C ATOM 942 CG1 ILE A 67 -15.920 13.526 -24.373 1.00 0.00 C ATOM 943 CG2 ILE A 67 -15.257 11.805 -22.673 1.00 0.00 C ATOM 944 CD1 ILE A 67 -16.289 12.805 -25.651 1.00 0.00 C ATOM 0 H ILE A 67 -12.550 12.443 -22.477 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.796 14.810 -23.497 1.00 0.00 H new ATOM 0 HB ILE A 67 -14.090 12.414 -24.350 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -16.791 13.556 -23.718 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -15.663 14.559 -24.609 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -15.816 11.057 -23.235 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -14.410 11.329 -22.179 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -15.907 12.256 -21.923 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -17.123 13.317 -26.130 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -15.432 12.798 -26.325 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -16.578 11.780 -25.420 1.00 0.00 H new ATOM 956 N SER A 68 -15.676 15.330 -21.833 1.00 0.00 N ATOM 957 CA SER A 68 -16.512 15.834 -20.750 1.00 0.00 C ATOM 958 C SER A 68 -17.577 14.811 -20.365 1.00 0.00 C ATOM 959 O SER A 68 -18.679 14.808 -20.915 1.00 0.00 O ATOM 960 CB SER A 68 -17.177 17.149 -21.160 1.00 0.00 C ATOM 961 OG SER A 68 -16.348 18.257 -20.851 1.00 0.00 O ATOM 0 H SER A 68 -15.853 15.764 -22.739 1.00 0.00 H new ATOM 0 HA SER A 68 -15.874 16.012 -19.884 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.388 17.136 -22.229 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.133 17.252 -20.647 1.00 0.00 H new ATOM 0 HG SER A 68 -16.794 19.086 -21.124 1.00 0.00 H new ATOM 967 N TYR A 69 -17.240 13.944 -19.417 1.00 0.00 N ATOM 968 CA TYR A 69 -18.166 12.914 -18.960 1.00 0.00 C ATOM 969 C TYR A 69 -17.962 12.619 -17.477 1.00 0.00 C ATOM 970 O TYR A 69 -16.889 12.182 -17.062 1.00 0.00 O ATOM 971 CB TYR A 69 -17.981 11.634 -19.776 1.00 0.00 C ATOM 972 CG TYR A 69 -16.951 10.690 -19.197 1.00 0.00 C ATOM 973 CD1 TYR A 69 -15.593 10.919 -19.373 1.00 0.00 C ATOM 974 CD2 TYR A 69 -17.338 9.569 -18.472 1.00 0.00 C ATOM 975 CE1 TYR A 69 -14.649 10.058 -18.846 1.00 0.00 C ATOM 976 CE2 TYR A 69 -16.401 8.704 -17.940 1.00 0.00 C ATOM 977 CZ TYR A 69 -15.058 8.953 -18.130 1.00 0.00 C ATOM 978 OH TYR A 69 -14.121 8.094 -17.603 1.00 0.00 O ATOM 0 H TYR A 69 -16.333 13.934 -18.950 1.00 0.00 H new ATOM 0 HA TYR A 69 -19.181 13.284 -19.103 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.938 11.116 -19.846 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -17.688 11.900 -20.792 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.269 11.785 -19.931 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.389 9.371 -18.322 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.597 10.250 -18.994 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -16.719 7.838 -17.379 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.281 8.576 -17.457 1.00 0.00 H new ATOM 988 N GLN A 70 -19.001 12.862 -16.684 1.00 0.00 N ATOM 989 CA GLN A 70 -18.937 12.622 -15.247 1.00 0.00 C ATOM 990 C GLN A 70 -18.254 11.292 -14.947 1.00 0.00 C ATOM 991 O GLN A 70 -18.820 10.217 -15.146 1.00 0.00 O ATOM 992 CB GLN A 70 -20.343 12.635 -14.644 1.00 0.00 C ATOM 993 CG GLN A 70 -21.081 13.948 -14.848 1.00 0.00 C ATOM 994 CD GLN A 70 -22.326 14.057 -13.991 1.00 0.00 C ATOM 995 OE1 GLN A 70 -23.209 13.200 -14.046 1.00 0.00 O ATOM 996 NE2 GLN A 70 -22.405 15.115 -13.191 1.00 0.00 N ATOM 0 H GLN A 70 -19.896 13.225 -17.012 1.00 0.00 H new ATOM 0 HA GLN A 70 -18.348 13.421 -14.796 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.926 11.828 -15.086 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.273 12.429 -13.576 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -20.412 14.776 -14.616 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -21.358 14.046 -15.898 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -21.650 15.801 -13.177 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -23.220 15.241 -12.591 1.00 0.00 H new ATOM 1005 N PRO A 71 -17.008 11.364 -14.456 1.00 0.00 N ATOM 1006 CA PRO A 71 -16.221 10.174 -14.117 1.00 0.00 C ATOM 1007 C PRO A 71 -16.766 9.447 -12.893 1.00 0.00 C ATOM 1008 O PRO A 71 -16.099 8.584 -12.325 1.00 0.00 O ATOM 1009 CB PRO A 71 -14.829 10.741 -13.827 1.00 0.00 C ATOM 1010 CG PRO A 71 -15.073 12.151 -13.410 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.272 12.612 -14.193 1.00 0.00 C ATOM 0 HA PRO A 71 -16.237 9.433 -14.917 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.328 10.177 -13.041 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.191 10.694 -14.709 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.259 12.214 -12.338 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.205 12.776 -13.621 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.874 13.322 -13.625 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.981 13.109 -15.118 1.00 0.00 H new ATOM 1019 N GLU A 72 -17.983 9.803 -12.492 1.00 0.00 N ATOM 1020 CA GLU A 72 -18.617 9.183 -11.335 1.00 0.00 C ATOM 1021 C GLU A 72 -19.799 8.317 -11.760 1.00 0.00 C ATOM 1022 O GLU A 72 -20.043 7.256 -11.186 1.00 0.00 O ATOM 1023 CB GLU A 72 -19.085 10.254 -10.347 1.00 0.00 C ATOM 1024 CG GLU A 72 -17.993 10.734 -9.407 1.00 0.00 C ATOM 1025 CD GLU A 72 -18.364 12.016 -8.687 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -19.395 12.024 -7.982 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -17.623 13.011 -8.829 1.00 0.00 O ATOM 0 H GLU A 72 -18.549 10.517 -12.951 1.00 0.00 H new ATOM 0 HA GLU A 72 -17.879 8.546 -10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.473 11.106 -10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.911 9.856 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.784 9.957 -8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.075 10.892 -9.973 1.00 0.00 H new ATOM 1034 N ASN A 73 -20.530 8.777 -12.770 1.00 0.00 N ATOM 1035 CA ASN A 73 -21.687 8.046 -13.273 1.00 0.00 C ATOM 1036 C ASN A 73 -21.271 7.035 -14.338 1.00 0.00 C ATOM 1037 O ASN A 73 -21.693 7.125 -15.491 1.00 0.00 O ATOM 1038 CB ASN A 73 -22.719 9.017 -13.850 1.00 0.00 C ATOM 1039 CG ASN A 73 -22.820 10.299 -13.046 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -21.869 11.079 -12.979 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -23.975 10.522 -12.431 1.00 0.00 N ATOM 0 H ASN A 73 -20.341 9.653 -13.257 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.134 7.505 -12.439 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -22.452 9.257 -14.879 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.694 8.531 -13.878 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -24.102 11.368 -11.875 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.736 9.848 -12.515 1.00 0.00 H new ATOM 1048 N ILE A 74 -20.443 6.074 -13.942 1.00 0.00 N ATOM 1049 CA ILE A 74 -19.973 5.046 -14.862 1.00 0.00 C ATOM 1050 C ILE A 74 -20.434 3.661 -14.421 1.00 0.00 C ATOM 1051 O ILE A 74 -20.577 3.395 -13.228 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.436 5.052 -14.975 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -17.920 6.484 -15.134 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -17.988 4.188 -16.144 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -16.435 6.621 -14.886 1.00 0.00 C ATOM 0 H ILE A 74 -20.084 5.986 -12.991 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.402 5.275 -15.837 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.017 4.635 -14.059 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -18.146 6.833 -16.142 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -18.457 7.134 -14.443 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.900 4.202 -16.211 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.329 3.164 -15.991 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.414 4.578 -17.069 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.139 7.662 -15.016 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.205 6.303 -13.869 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.889 5.997 -15.594 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.662 2.783 -15.392 1.00 0.00 N ATOM 1068 CA ARG A 75 -21.106 1.424 -15.104 1.00 0.00 C ATOM 1069 C ARG A 75 -20.486 0.431 -16.082 1.00 0.00 C ATOM 1070 O ARG A 75 -20.369 0.691 -17.279 1.00 0.00 O ATOM 1071 CB ARG A 75 -22.632 1.339 -15.172 1.00 0.00 C ATOM 1072 CG ARG A 75 -23.180 1.361 -16.590 1.00 0.00 C ATOM 1073 CD ARG A 75 -24.694 1.502 -16.599 1.00 0.00 C ATOM 1074 NE ARG A 75 -25.211 1.765 -17.940 1.00 0.00 N ATOM 1075 CZ ARG A 75 -26.389 2.332 -18.175 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -27.168 2.694 -17.165 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -26.790 2.538 -19.423 1.00 0.00 N ATOM 0 H ARG A 75 -20.547 2.988 -16.385 1.00 0.00 H new ATOM 0 HA ARG A 75 -20.779 1.167 -14.096 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -22.959 0.423 -14.679 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -23.059 2.172 -14.613 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.733 2.188 -17.141 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.896 0.444 -17.106 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -25.145 0.590 -16.209 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.987 2.313 -15.932 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.636 1.499 -18.739 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.863 2.537 -16.204 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -28.072 3.129 -17.349 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -26.194 2.261 -20.203 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -27.695 2.973 -19.603 1.00 0.00 H new