USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=21 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= -0.209 X(o=-0.43,f=-0.37) USER MOD Set 1.2: A 73 ASN : amide:sc= -0.226 X(o=-0.43,f=0) USER MOD Set 2.1: A 50 HIS : no HE2:sc= -2.92! C(o=-3.5!,f=-2.8!) USER MOD Set 2.2: A 60 SER OG : rot 70:sc= -1.17 USER MOD Set 2.3: A 69 TYR OH : rot -152:sc= 0.639 USER MOD Set 3.1: A 53 SER OG : rot -61:sc= -0.224 USER MOD Set 3.2: A 54 MET CE :methyl 167:sc= -0.776 (180deg=-0.761) USER MOD Set 4.1: A 37 CYS SG : rot 117:sc= 1.49 USER MOD Set 4.2: A 39 HIS : no HD1:sc= -0.92 K(o=2,f=-2.1!) USER MOD Set 4.3: A 62 CYS SG : rot 145:sc= 1.7 USER MOD Set 4.4: A 65 CYS SG : rot -36:sc= -0.243 USER MOD Set 5.1: A 22 CYS SG : rot 101:sc= 0.444! USER MOD Set 5.2: A 25 CYS SG : rot -60:sc= -1.22 USER MOD Set 5.3: A 42 CYS SG : rot 88:sc= -2.01! USER MOD Set 5.4: A 45 CYS SG : rot 127:sc= -1.02 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 K(o=0,f=-0.87) USER MOD Single : A 34 SER OG : rot 180:sc= -0.18 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.881 K(o=0.88,f=-0.0062) USER MOD Single : A 47 THR OG1 : rot 93:sc= 0.209 USER MOD Single : A 49 ASN : amide:sc= -0.914 K(o=-0.91,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -0.182 (180deg=-0.786) USER MOD Single : A 57 LYS NZ :NH3+ -146:sc= -1.18 (180deg=-2.96!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.444 -9.140 -26.523 1.00 0.00 N ATOM 233 CA GLU A 19 -6.563 -8.562 -27.260 1.00 0.00 C ATOM 234 C GLU A 19 -6.955 -7.207 -26.678 1.00 0.00 C ATOM 235 O GLU A 19 -7.227 -6.258 -27.414 1.00 0.00 O ATOM 236 CB GLU A 19 -7.764 -9.509 -27.231 1.00 0.00 C ATOM 237 CG GLU A 19 -8.157 -9.952 -25.832 1.00 0.00 C ATOM 238 CD GLU A 19 -9.484 -10.686 -25.803 1.00 0.00 C ATOM 239 OE1 GLU A 19 -9.520 -11.863 -26.219 1.00 0.00 O ATOM 240 OE2 GLU A 19 -10.485 -10.083 -25.364 1.00 0.00 O ATOM 0 HA GLU A 19 -6.249 -8.417 -28.294 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.616 -9.016 -27.699 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.536 -10.390 -27.831 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.379 -10.600 -25.428 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.215 -9.079 -25.181 1.00 0.00 H new ATOM 247 N VAL A 20 -6.984 -7.125 -25.352 1.00 0.00 N ATOM 248 CA VAL A 20 -7.342 -5.887 -24.670 1.00 0.00 C ATOM 249 C VAL A 20 -6.284 -5.498 -23.644 1.00 0.00 C ATOM 250 O VAL A 20 -6.099 -6.181 -22.636 1.00 0.00 O ATOM 251 CB VAL A 20 -8.706 -6.009 -23.964 1.00 0.00 C ATOM 252 CG1 VAL A 20 -9.137 -4.665 -23.399 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.754 -6.556 -24.922 1.00 0.00 C ATOM 0 H VAL A 20 -6.764 -7.901 -24.728 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.405 -5.112 -25.434 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.605 -6.709 -23.134 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.102 -4.771 -22.904 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.396 -4.319 -22.678 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.222 -3.940 -24.209 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.711 -6.636 -24.407 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.855 -5.883 -25.774 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.447 -7.541 -25.273 1.00 0.00 H new ATOM 263 N THR A 21 -5.591 -4.394 -23.906 1.00 0.00 N ATOM 264 CA THR A 21 -4.550 -3.914 -23.006 1.00 0.00 C ATOM 265 C THR A 21 -4.920 -2.560 -22.410 1.00 0.00 C ATOM 266 O THR A 21 -5.654 -1.782 -23.020 1.00 0.00 O ATOM 267 CB THR A 21 -3.195 -3.791 -23.728 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.930 -4.981 -24.479 1.00 0.00 O ATOM 269 CG2 THR A 21 -2.070 -3.552 -22.732 1.00 0.00 C ATOM 0 H THR A 21 -5.732 -3.816 -24.734 1.00 0.00 H new ATOM 0 HA THR A 21 -4.461 -4.649 -22.206 1.00 0.00 H new ATOM 0 HB THR A 21 -3.246 -2.938 -24.405 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.068 -4.894 -24.936 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.123 -3.469 -23.266 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.260 -2.630 -22.183 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.020 -4.386 -22.033 1.00 0.00 H new ATOM 277 N CYS A 22 -4.408 -2.285 -21.215 1.00 0.00 N ATOM 278 CA CYS A 22 -4.684 -1.025 -20.536 1.00 0.00 C ATOM 279 C CYS A 22 -3.771 0.083 -21.053 1.00 0.00 C ATOM 280 O CYS A 22 -2.546 -0.037 -21.052 1.00 0.00 O ATOM 281 CB CYS A 22 -4.504 -1.186 -19.025 1.00 0.00 C ATOM 282 SG CYS A 22 -4.835 0.330 -18.071 1.00 0.00 S ATOM 0 H CYS A 22 -3.799 -2.918 -20.697 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.717 -0.747 -20.745 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.167 -1.976 -18.673 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.484 -1.513 -18.824 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.021 0.260 -17.543 1.00 0.00 H new ATOM 287 N PRO A 23 -4.381 1.189 -21.505 1.00 0.00 N ATOM 288 CA PRO A 23 -3.643 2.340 -22.032 1.00 0.00 C ATOM 289 C PRO A 23 -2.880 3.088 -20.944 1.00 0.00 C ATOM 290 O PRO A 23 -2.238 4.104 -21.210 1.00 0.00 O ATOM 291 CB PRO A 23 -4.743 3.228 -22.620 1.00 0.00 C ATOM 292 CG PRO A 23 -5.971 2.863 -21.859 1.00 0.00 C ATOM 293 CD PRO A 23 -5.838 1.401 -21.535 1.00 0.00 C ATOM 0 HA PRO A 23 -2.885 2.041 -22.756 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.504 4.285 -22.502 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.870 3.047 -23.687 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.058 3.458 -20.950 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.867 3.052 -22.450 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.299 1.158 -20.578 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.319 0.777 -22.288 1.00 0.00 H new ATOM 301 N ILE A 24 -2.954 2.577 -19.719 1.00 0.00 N ATOM 302 CA ILE A 24 -2.268 3.197 -18.592 1.00 0.00 C ATOM 303 C ILE A 24 -1.080 2.354 -18.141 1.00 0.00 C ATOM 304 O ILE A 24 0.074 2.752 -18.302 1.00 0.00 O ATOM 305 CB ILE A 24 -3.219 3.402 -17.398 1.00 0.00 C ATOM 306 CG1 ILE A 24 -4.220 4.519 -17.702 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.428 3.720 -16.139 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.525 4.383 -16.949 1.00 0.00 C ATOM 0 H ILE A 24 -3.481 1.737 -19.482 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.913 4.169 -18.935 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.773 2.478 -17.231 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.766 5.479 -17.456 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.427 4.529 -18.772 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.114 3.862 -15.304 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.752 2.895 -15.916 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.850 4.631 -16.293 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.185 5.209 -17.214 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.001 3.439 -17.213 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.330 4.403 -15.877 1.00 0.00 H new ATOM 320 N CYS A 25 -1.370 1.186 -17.577 1.00 0.00 N ATOM 321 CA CYS A 25 -0.326 0.285 -17.104 1.00 0.00 C ATOM 322 C CYS A 25 0.230 -0.554 -18.251 1.00 0.00 C ATOM 323 O CYS A 25 1.195 -1.300 -18.079 1.00 0.00 O ATOM 324 CB CYS A 25 -0.872 -0.631 -16.007 1.00 0.00 C ATOM 325 SG CYS A 25 -2.277 -1.665 -16.532 1.00 0.00 S ATOM 0 H CYS A 25 -2.320 0.841 -17.436 1.00 0.00 H new ATOM 0 HA CYS A 25 0.483 0.890 -16.694 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.069 -1.279 -15.657 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.181 -0.020 -15.159 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.261 -0.902 -16.907 1.00 0.00 H new ATOM 330 N LEU A 26 -0.385 -0.426 -19.422 1.00 0.00 N ATOM 331 CA LEU A 26 0.048 -1.171 -20.599 1.00 0.00 C ATOM 332 C LEU A 26 0.090 -2.668 -20.310 1.00 0.00 C ATOM 333 O LEU A 26 0.877 -3.403 -20.907 1.00 0.00 O ATOM 334 CB LEU A 26 1.427 -0.689 -21.054 1.00 0.00 C ATOM 335 CG LEU A 26 1.549 0.804 -21.360 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.853 1.095 -22.086 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.360 1.278 -22.184 1.00 0.00 C ATOM 0 H LEU A 26 -1.185 0.187 -19.581 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.673 -0.993 -21.397 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.152 -0.941 -20.280 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.708 -1.247 -21.947 1.00 0.00 H new ATOM 0 HG LEU A 26 1.553 1.350 -20.417 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.922 2.162 -22.296 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.693 0.793 -21.461 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.880 0.539 -23.023 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.463 2.343 -22.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.325 0.726 -23.123 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.561 1.105 -21.627 1.00 0.00 H new ATOM 349 N GLU A 27 -0.764 -3.113 -19.394 1.00 0.00 N ATOM 350 CA GLU A 27 -0.825 -4.523 -19.028 1.00 0.00 C ATOM 351 C GLU A 27 -2.133 -5.152 -19.499 1.00 0.00 C ATOM 352 O GLU A 27 -3.082 -4.449 -19.848 1.00 0.00 O ATOM 353 CB GLU A 27 -0.684 -4.687 -17.513 1.00 0.00 C ATOM 354 CG GLU A 27 0.553 -4.015 -16.940 1.00 0.00 C ATOM 355 CD GLU A 27 1.065 -4.703 -15.690 1.00 0.00 C ATOM 356 OE1 GLU A 27 0.511 -4.443 -14.602 1.00 0.00 O ATOM 357 OE2 GLU A 27 2.018 -5.502 -15.800 1.00 0.00 O ATOM 0 H GLU A 27 -1.423 -2.518 -18.892 1.00 0.00 H new ATOM 0 HA GLU A 27 0.002 -5.035 -19.520 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.569 -4.275 -17.028 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.654 -5.750 -17.272 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.340 -4.008 -17.694 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.323 -2.975 -16.709 1.00 0.00 H new ATOM 364 N LEU A 28 -2.175 -6.480 -19.507 1.00 0.00 N ATOM 365 CA LEU A 28 -3.366 -7.204 -19.936 1.00 0.00 C ATOM 366 C LEU A 28 -4.599 -6.725 -19.176 1.00 0.00 C ATOM 367 O LEU A 28 -4.592 -6.647 -17.947 1.00 0.00 O ATOM 368 CB LEU A 28 -3.176 -8.708 -19.725 1.00 0.00 C ATOM 369 CG LEU A 28 -4.443 -9.561 -19.794 1.00 0.00 C ATOM 370 CD1 LEU A 28 -5.198 -9.292 -21.087 1.00 0.00 C ATOM 371 CD2 LEU A 28 -4.098 -11.038 -19.674 1.00 0.00 C ATOM 0 H LEU A 28 -1.399 -7.077 -19.221 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.517 -7.008 -20.997 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.475 -9.074 -20.475 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.711 -8.862 -18.751 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.087 -9.289 -18.958 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.097 -9.908 -21.118 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.478 -8.239 -21.133 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.561 -9.536 -21.938 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.012 -11.630 -19.725 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.434 -11.324 -20.490 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.601 -11.219 -18.721 1.00 0.00 H new ATOM 383 N LEU A 29 -5.656 -6.407 -19.914 1.00 0.00 N ATOM 384 CA LEU A 29 -6.898 -5.937 -19.310 1.00 0.00 C ATOM 385 C LEU A 29 -7.925 -7.062 -19.231 1.00 0.00 C ATOM 386 O LEU A 29 -8.678 -7.298 -20.176 1.00 0.00 O ATOM 387 CB LEU A 29 -7.468 -4.767 -20.113 1.00 0.00 C ATOM 388 CG LEU A 29 -7.002 -3.373 -19.691 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.757 -2.301 -20.462 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.183 -3.181 -18.192 1.00 0.00 C ATOM 0 H LEU A 29 -5.678 -6.466 -20.932 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.676 -5.601 -18.297 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.210 -4.912 -21.162 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.555 -4.801 -20.045 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.941 -3.280 -19.924 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.412 -1.316 -20.148 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.577 -2.426 -21.530 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.824 -2.392 -20.261 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.846 -2.184 -17.910 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.236 -3.295 -17.935 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.596 -3.927 -17.656 1.00 0.00 H new ATOM 402 N THR A 30 -7.951 -7.753 -18.095 1.00 0.00 N ATOM 403 CA THR A 30 -8.886 -8.853 -17.892 1.00 0.00 C ATOM 404 C THR A 30 -10.307 -8.337 -17.696 1.00 0.00 C ATOM 405 O THR A 30 -11.156 -8.487 -18.574 1.00 0.00 O ATOM 406 CB THR A 30 -8.490 -9.708 -16.673 1.00 0.00 C ATOM 407 OG1 THR A 30 -7.101 -10.048 -16.744 1.00 0.00 O ATOM 408 CG2 THR A 30 -9.325 -10.978 -16.609 1.00 0.00 C ATOM 0 H THR A 30 -7.336 -7.570 -17.302 1.00 0.00 H new ATOM 0 HA THR A 30 -8.847 -9.471 -18.789 1.00 0.00 H new ATOM 0 HB THR A 30 -8.675 -9.124 -15.771 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.857 -10.590 -15.965 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.028 -11.566 -15.740 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.380 -10.716 -16.526 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.167 -11.564 -17.515 1.00 0.00 H new ATOM 416 N GLN A 31 -10.557 -7.730 -16.541 1.00 0.00 N ATOM 417 CA GLN A 31 -11.877 -7.192 -16.231 1.00 0.00 C ATOM 418 C GLN A 31 -11.843 -5.669 -16.170 1.00 0.00 C ATOM 419 O GLN A 31 -12.087 -5.059 -15.128 1.00 0.00 O ATOM 420 CB GLN A 31 -12.382 -7.757 -14.903 1.00 0.00 C ATOM 421 CG GLN A 31 -13.169 -9.049 -15.051 1.00 0.00 C ATOM 422 CD GLN A 31 -13.396 -9.750 -13.726 1.00 0.00 C ATOM 423 OE1 GLN A 31 -13.107 -9.200 -12.663 1.00 0.00 O ATOM 424 NE2 GLN A 31 -13.916 -10.970 -13.782 1.00 0.00 N ATOM 0 H GLN A 31 -9.864 -7.598 -15.804 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.560 -7.490 -17.027 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.531 -7.933 -14.246 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.011 -7.012 -14.417 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.132 -8.832 -15.513 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.636 -9.719 -15.726 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.141 -11.388 -14.685 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.091 -11.490 -12.922 1.00 0.00 H new ATOM 433 N PRO A 32 -11.533 -5.036 -17.312 1.00 0.00 N ATOM 434 CA PRO A 32 -11.460 -3.576 -17.413 1.00 0.00 C ATOM 435 C PRO A 32 -12.832 -2.918 -17.307 1.00 0.00 C ATOM 436 O PRO A 32 -13.861 -3.594 -17.353 1.00 0.00 O ATOM 437 CB PRO A 32 -10.863 -3.346 -18.804 1.00 0.00 C ATOM 438 CG PRO A 32 -11.229 -4.565 -19.579 1.00 0.00 C ATOM 439 CD PRO A 32 -11.230 -5.699 -18.591 1.00 0.00 C ATOM 0 HA PRO A 32 -10.873 -3.141 -16.605 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.270 -2.446 -19.266 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.782 -3.218 -18.755 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.208 -4.452 -20.045 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.514 -4.747 -20.381 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.979 -6.450 -18.842 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.266 -6.207 -18.562 1.00 0.00 H new ATOM 447 N LEU A 33 -12.840 -1.598 -17.165 1.00 0.00 N ATOM 448 CA LEU A 33 -14.086 -0.848 -17.053 1.00 0.00 C ATOM 449 C LEU A 33 -14.471 -0.227 -18.393 1.00 0.00 C ATOM 450 O LEU A 33 -13.681 -0.224 -19.337 1.00 0.00 O ATOM 451 CB LEU A 33 -13.954 0.245 -15.991 1.00 0.00 C ATOM 452 CG LEU A 33 -13.379 -0.195 -14.644 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.395 0.959 -13.654 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.156 -1.382 -14.095 1.00 0.00 C ATOM 0 H LEU A 33 -11.998 -1.024 -17.125 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.872 -1.542 -16.755 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.323 1.038 -16.391 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.940 0.678 -15.819 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.344 -0.502 -14.795 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.982 0.627 -12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.794 1.781 -14.043 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.420 1.298 -13.507 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.733 -1.682 -13.136 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.201 -1.102 -13.959 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.092 -2.214 -14.796 1.00 0.00 H new ATOM 466 N SER A 34 -15.688 0.301 -18.467 1.00 0.00 N ATOM 467 CA SER A 34 -16.178 0.924 -19.691 1.00 0.00 C ATOM 468 C SER A 34 -16.505 2.396 -19.458 1.00 0.00 C ATOM 469 O SER A 34 -16.495 2.874 -18.323 1.00 0.00 O ATOM 470 CB SER A 34 -17.420 0.189 -20.201 1.00 0.00 C ATOM 471 OG SER A 34 -17.813 0.674 -21.473 1.00 0.00 O ATOM 0 H SER A 34 -16.353 0.310 -17.694 1.00 0.00 H new ATOM 0 HA SER A 34 -15.391 0.859 -20.443 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.214 -0.880 -20.263 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.238 0.315 -19.492 1.00 0.00 H new ATOM 0 HG SER A 34 -18.607 0.187 -21.778 1.00 0.00 H new ATOM 477 N LEU A 35 -16.793 3.110 -20.541 1.00 0.00 N ATOM 478 CA LEU A 35 -17.123 4.528 -20.457 1.00 0.00 C ATOM 479 C LEU A 35 -18.052 4.939 -21.594 1.00 0.00 C ATOM 480 O LEU A 35 -18.449 4.112 -22.415 1.00 0.00 O ATOM 481 CB LEU A 35 -15.847 5.372 -20.496 1.00 0.00 C ATOM 482 CG LEU A 35 -14.774 5.013 -19.468 1.00 0.00 C ATOM 483 CD1 LEU A 35 -13.405 5.476 -19.941 1.00 0.00 C ATOM 484 CD2 LEU A 35 -15.107 5.623 -18.114 1.00 0.00 C ATOM 0 H LEU A 35 -16.805 2.730 -21.487 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.637 4.701 -19.512 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.411 5.289 -21.491 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.122 6.417 -20.355 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.750 3.929 -19.360 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.654 5.212 -19.196 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.164 4.991 -20.887 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.414 6.557 -20.079 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.332 5.357 -17.395 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.159 6.708 -18.207 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.068 5.242 -17.770 1.00 0.00 H new ATOM 496 N ASP A 36 -18.395 6.222 -21.637 1.00 0.00 N ATOM 497 CA ASP A 36 -19.275 6.745 -22.675 1.00 0.00 C ATOM 498 C ASP A 36 -18.549 6.824 -24.014 1.00 0.00 C ATOM 499 O ASP A 36 -19.171 7.018 -25.059 1.00 0.00 O ATOM 500 CB ASP A 36 -19.798 8.127 -22.282 1.00 0.00 C ATOM 501 CG ASP A 36 -20.962 8.572 -23.145 1.00 0.00 C ATOM 502 OD1 ASP A 36 -21.922 7.788 -23.298 1.00 0.00 O ATOM 503 OD2 ASP A 36 -20.914 9.706 -23.667 1.00 0.00 O ATOM 0 H ASP A 36 -18.076 6.919 -20.964 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.118 6.062 -22.779 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.109 8.111 -21.237 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -18.990 8.855 -22.363 1.00 0.00 H new ATOM 508 N CYS A 37 -17.229 6.673 -23.976 1.00 0.00 N ATOM 509 CA CYS A 37 -16.417 6.728 -25.185 1.00 0.00 C ATOM 510 C CYS A 37 -16.073 5.324 -25.674 1.00 0.00 C ATOM 511 O CYS A 37 -15.847 5.108 -26.864 1.00 0.00 O ATOM 512 CB CYS A 37 -15.134 7.520 -24.927 1.00 0.00 C ATOM 513 SG CYS A 37 -13.906 6.635 -23.912 1.00 0.00 S ATOM 0 H CYS A 37 -16.699 6.511 -23.120 1.00 0.00 H new ATOM 0 HA CYS A 37 -16.996 7.231 -25.959 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -14.680 7.778 -25.884 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -15.391 8.457 -24.433 1.00 0.00 H new ATOM 0 HG CYS A 37 -12.828 6.437 -24.610 1.00 0.00 H new ATOM 518 N GLY A 38 -16.034 4.373 -24.746 1.00 0.00 N ATOM 519 CA GLY A 38 -15.717 3.002 -25.101 1.00 0.00 C ATOM 520 C GLY A 38 -14.411 2.533 -24.490 1.00 0.00 C ATOM 521 O GLY A 38 -14.362 1.489 -23.838 1.00 0.00 O ATOM 0 H GLY A 38 -16.216 4.528 -23.754 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.524 2.348 -24.771 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.659 2.915 -26.186 1.00 0.00 H new ATOM 525 N HIS A 39 -13.349 3.303 -24.702 1.00 0.00 N ATOM 526 CA HIS A 39 -12.036 2.959 -24.169 1.00 0.00 C ATOM 527 C HIS A 39 -12.164 2.279 -22.809 1.00 0.00 C ATOM 528 O HIS A 39 -12.936 2.716 -21.956 1.00 0.00 O ATOM 529 CB HIS A 39 -11.168 4.212 -24.046 1.00 0.00 C ATOM 530 CG HIS A 39 -10.817 4.829 -25.365 1.00 0.00 C ATOM 531 ND1 HIS A 39 -11.137 6.129 -25.697 1.00 0.00 N ATOM 532 CD2 HIS A 39 -10.170 4.317 -26.438 1.00 0.00 C ATOM 533 CE1 HIS A 39 -10.702 6.389 -26.917 1.00 0.00 C ATOM 534 NE2 HIS A 39 -10.111 5.306 -27.388 1.00 0.00 N ATOM 0 H HIS A 39 -13.372 4.170 -25.239 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.561 2.263 -24.861 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.692 4.949 -23.437 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.249 3.957 -23.517 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.774 3.316 -26.530 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.811 7.328 -27.440 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.680 5.219 -28.309 1.00 0.00 H new ATOM 542 N SER A 40 -11.401 1.208 -22.614 1.00 0.00 N ATOM 543 CA SER A 40 -11.432 0.465 -21.360 1.00 0.00 C ATOM 544 C SER A 40 -10.220 0.803 -20.498 1.00 0.00 C ATOM 545 O SER A 40 -9.240 1.372 -20.981 1.00 0.00 O ATOM 546 CB SER A 40 -11.474 -1.039 -21.635 1.00 0.00 C ATOM 547 OG SER A 40 -12.106 -1.314 -22.873 1.00 0.00 O ATOM 0 H SER A 40 -10.754 0.836 -23.309 1.00 0.00 H new ATOM 0 HA SER A 40 -12.333 0.753 -20.818 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.460 -1.439 -21.644 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.008 -1.544 -20.830 1.00 0.00 H new ATOM 0 HG SER A 40 -12.118 -2.282 -23.026 1.00 0.00 H new ATOM 553 N PHE A 41 -10.293 0.448 -19.220 1.00 0.00 N ATOM 554 CA PHE A 41 -9.202 0.714 -18.289 1.00 0.00 C ATOM 555 C PHE A 41 -9.304 -0.186 -17.061 1.00 0.00 C ATOM 556 O PHE A 41 -10.204 -1.020 -16.961 1.00 0.00 O ATOM 557 CB PHE A 41 -9.215 2.183 -17.861 1.00 0.00 C ATOM 558 CG PHE A 41 -9.182 3.144 -19.015 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.338 3.438 -19.722 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.997 3.753 -19.393 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.310 4.321 -20.784 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.963 4.637 -20.455 1.00 0.00 C ATOM 563 CZ PHE A 41 -9.122 4.922 -21.151 1.00 0.00 C ATOM 0 H PHE A 41 -11.096 -0.025 -18.805 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.262 0.500 -18.798 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.109 2.372 -17.267 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.357 2.373 -17.216 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.270 2.972 -19.439 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.088 3.535 -18.851 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.217 4.541 -21.327 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.032 5.104 -20.740 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.099 5.613 -21.980 1.00 0.00 H new ATOM 573 N CYS A 42 -8.374 -0.010 -16.128 1.00 0.00 N ATOM 574 CA CYS A 42 -8.357 -0.806 -14.906 1.00 0.00 C ATOM 575 C CYS A 42 -9.148 -0.118 -13.797 1.00 0.00 C ATOM 576 O CYS A 42 -9.088 1.102 -13.644 1.00 0.00 O ATOM 577 CB CYS A 42 -6.916 -1.043 -14.447 1.00 0.00 C ATOM 578 SG CYS A 42 -5.910 -2.001 -15.625 1.00 0.00 S ATOM 0 H CYS A 42 -7.623 0.676 -16.195 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.826 -1.766 -15.121 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.437 -0.079 -14.276 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.932 -1.565 -13.490 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.354 -1.193 -16.478 1.00 0.00 H new ATOM 583 N GLN A 43 -9.888 -0.909 -13.028 1.00 0.00 N ATOM 584 CA GLN A 43 -10.692 -0.376 -11.934 1.00 0.00 C ATOM 585 C GLN A 43 -9.848 0.503 -11.017 1.00 0.00 C ATOM 586 O GLN A 43 -10.376 1.344 -10.289 1.00 0.00 O ATOM 587 CB GLN A 43 -11.319 -1.517 -11.131 1.00 0.00 C ATOM 588 CG GLN A 43 -11.919 -1.071 -9.807 1.00 0.00 C ATOM 589 CD GLN A 43 -13.221 -0.314 -9.982 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.301 -0.907 -9.985 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.126 1.002 -10.128 1.00 0.00 N ATOM 0 H GLN A 43 -9.948 -1.921 -13.142 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.486 0.235 -12.364 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.096 -1.989 -11.732 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.560 -2.275 -10.939 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.093 -1.944 -9.179 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.203 -0.438 -9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.210 1.451 -10.119 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.969 1.564 -10.249 1.00 0.00 H new ATOM 600 N ALA A 44 -8.535 0.303 -11.058 1.00 0.00 N ATOM 601 CA ALA A 44 -7.618 1.079 -10.232 1.00 0.00 C ATOM 602 C ALA A 44 -7.006 2.230 -11.024 1.00 0.00 C ATOM 603 O ALA A 44 -7.079 3.388 -10.612 1.00 0.00 O ATOM 604 CB ALA A 44 -6.525 0.182 -9.671 1.00 0.00 C ATOM 0 H ALA A 44 -8.082 -0.390 -11.654 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.185 1.503 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.848 0.775 -9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.975 -0.602 -9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.968 -0.270 -10.492 1.00 0.00 H new ATOM 610 N CYS A 45 -6.401 1.904 -12.161 1.00 0.00 N ATOM 611 CA CYS A 45 -5.774 2.909 -13.010 1.00 0.00 C ATOM 612 C CYS A 45 -6.711 4.093 -13.233 1.00 0.00 C ATOM 613 O CYS A 45 -6.270 5.241 -13.314 1.00 0.00 O ATOM 614 CB CYS A 45 -5.380 2.297 -14.356 1.00 0.00 C ATOM 615 SG CYS A 45 -4.085 1.021 -14.241 1.00 0.00 S ATOM 0 H CYS A 45 -6.332 0.950 -12.516 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.877 3.267 -12.505 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.266 1.860 -14.818 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.035 3.092 -15.017 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.489 -0.062 -14.835 1.00 0.00 H new ATOM 620 N LEU A 46 -8.004 3.807 -13.330 1.00 0.00 N ATOM 621 CA LEU A 46 -9.004 4.848 -13.543 1.00 0.00 C ATOM 622 C LEU A 46 -9.145 5.729 -12.305 1.00 0.00 C ATOM 623 O LEU A 46 -9.225 6.954 -12.407 1.00 0.00 O ATOM 624 CB LEU A 46 -10.355 4.221 -13.892 1.00 0.00 C ATOM 625 CG LEU A 46 -10.643 4.035 -15.383 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.681 2.943 -15.594 1.00 0.00 C ATOM 627 CD2 LEU A 46 -11.109 5.344 -16.003 1.00 0.00 C ATOM 0 H LEU A 46 -8.385 2.863 -13.265 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.673 5.471 -14.374 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.418 3.247 -13.406 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.143 4.842 -13.465 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.720 3.731 -15.877 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.873 2.825 -16.660 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.309 2.003 -15.186 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.606 3.217 -15.087 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.309 5.193 -17.064 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.020 5.678 -15.506 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.332 6.100 -15.884 1.00 0.00 H new ATOM 639 N THR A 47 -9.172 5.098 -11.136 1.00 0.00 N ATOM 640 CA THR A 47 -9.302 5.823 -9.878 1.00 0.00 C ATOM 641 C THR A 47 -8.079 6.695 -9.618 1.00 0.00 C ATOM 642 O THR A 47 -8.201 7.838 -9.180 1.00 0.00 O ATOM 643 CB THR A 47 -9.495 4.861 -8.691 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.699 4.105 -8.864 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.555 5.627 -7.378 1.00 0.00 C ATOM 0 H THR A 47 -9.106 4.085 -11.034 1.00 0.00 H new ATOM 0 HA THR A 47 -10.184 6.456 -9.968 1.00 0.00 H new ATOM 0 HB THR A 47 -8.642 4.183 -8.659 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.493 3.262 -9.319 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.692 4.927 -6.554 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.625 6.178 -7.235 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.391 6.326 -7.402 1.00 0.00 H new ATOM 653 N ALA A 48 -6.899 6.147 -9.891 1.00 0.00 N ATOM 654 CA ALA A 48 -5.653 6.876 -9.689 1.00 0.00 C ATOM 655 C ALA A 48 -5.466 7.951 -10.754 1.00 0.00 C ATOM 656 O ALA A 48 -5.098 9.084 -10.448 1.00 0.00 O ATOM 657 CB ALA A 48 -4.473 5.916 -9.692 1.00 0.00 C ATOM 0 H ALA A 48 -6.780 5.201 -10.253 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.703 7.369 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.549 6.474 -9.540 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.594 5.189 -8.889 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.429 5.396 -10.649 1.00 0.00 H new ATOM 663 N ASN A 49 -5.722 7.586 -12.007 1.00 0.00 N ATOM 664 CA ASN A 49 -5.580 8.519 -13.118 1.00 0.00 C ATOM 665 C ASN A 49 -6.473 9.741 -12.920 1.00 0.00 C ATOM 666 O ASN A 49 -6.209 10.812 -13.467 1.00 0.00 O ATOM 667 CB ASN A 49 -5.927 7.829 -14.439 1.00 0.00 C ATOM 668 CG ASN A 49 -5.599 8.688 -15.644 1.00 0.00 C ATOM 669 OD1 ASN A 49 -6.122 9.792 -15.795 1.00 0.00 O ATOM 670 ND2 ASN A 49 -4.728 8.183 -16.511 1.00 0.00 N ATOM 0 H ASN A 49 -6.029 6.651 -12.277 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.542 8.850 -13.151 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.382 6.888 -14.508 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.989 7.584 -14.449 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.468 8.715 -17.342 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.319 7.263 -16.346 1.00 0.00 H new ATOM 677 N HIS A 50 -7.532 9.571 -12.135 1.00 0.00 N ATOM 678 CA HIS A 50 -8.464 10.660 -11.863 1.00 0.00 C ATOM 679 C HIS A 50 -7.901 11.607 -10.808 1.00 0.00 C ATOM 680 O HIS A 50 -7.931 12.827 -10.974 1.00 0.00 O ATOM 681 CB HIS A 50 -9.810 10.103 -11.398 1.00 0.00 C ATOM 682 CG HIS A 50 -10.490 9.247 -12.422 1.00 0.00 C ATOM 683 ND1 HIS A 50 -11.548 8.415 -12.124 1.00 0.00 N ATOM 684 CD2 HIS A 50 -10.258 9.099 -13.747 1.00 0.00 C ATOM 685 CE1 HIS A 50 -11.937 7.790 -13.222 1.00 0.00 C ATOM 686 NE2 HIS A 50 -11.170 8.188 -14.221 1.00 0.00 N ATOM 0 H HIS A 50 -7.766 8.691 -11.676 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.610 11.219 -12.787 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.658 9.518 -10.491 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.466 10.933 -11.136 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -11.965 8.300 -11.201 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.497 9.603 -14.324 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.744 7.076 -13.291 1.00 0.00 H new ATOM 694 N LYS A 51 -7.388 11.039 -9.723 1.00 0.00 N ATOM 695 CA LYS A 51 -6.816 11.831 -8.640 1.00 0.00 C ATOM 696 C LYS A 51 -5.650 12.677 -9.142 1.00 0.00 C ATOM 697 O LYS A 51 -5.253 13.649 -8.499 1.00 0.00 O ATOM 698 CB LYS A 51 -6.347 10.918 -7.505 1.00 0.00 C ATOM 699 CG LYS A 51 -7.448 10.041 -6.935 1.00 0.00 C ATOM 700 CD LYS A 51 -6.897 8.729 -6.403 1.00 0.00 C ATOM 701 CE LYS A 51 -6.373 8.880 -4.983 1.00 0.00 C ATOM 702 NZ LYS A 51 -5.531 7.721 -4.576 1.00 0.00 N ATOM 0 H LYS A 51 -7.356 10.031 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.591 12.499 -8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.541 10.282 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.932 11.531 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.960 10.573 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.190 9.838 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.678 7.969 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.095 8.380 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.789 9.797 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.212 8.978 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.193 7.862 -3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.095 6.848 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.716 7.642 -5.217 1.00 0.00 H new ATOM 716 N LYS A 52 -5.106 12.302 -10.295 1.00 0.00 N ATOM 717 CA LYS A 52 -3.987 13.027 -10.885 1.00 0.00 C ATOM 718 C LYS A 52 -4.426 14.406 -11.367 1.00 0.00 C ATOM 719 O LYS A 52 -3.882 15.424 -10.941 1.00 0.00 O ATOM 720 CB LYS A 52 -3.396 12.231 -12.051 1.00 0.00 C ATOM 721 CG LYS A 52 -2.648 13.090 -13.055 1.00 0.00 C ATOM 722 CD LYS A 52 -1.587 13.944 -12.379 1.00 0.00 C ATOM 723 CE LYS A 52 -0.465 14.304 -13.341 1.00 0.00 C ATOM 724 NZ LYS A 52 0.241 13.095 -13.848 1.00 0.00 N ATOM 0 H LYS A 52 -5.422 11.500 -10.840 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.224 13.156 -10.117 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.718 11.474 -11.657 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.200 11.703 -12.564 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.179 12.451 -13.804 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.353 13.733 -13.581 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.044 14.856 -11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.176 13.407 -11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.874 14.865 -14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.249 14.957 -12.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.208 13.351 -14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.280 12.376 -13.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.271 12.712 -14.668 1.00 0.00 H new ATOM 738 N SER A 53 -5.414 14.430 -12.256 1.00 0.00 N ATOM 739 CA SER A 53 -5.924 15.684 -12.797 1.00 0.00 C ATOM 740 C SER A 53 -6.248 16.668 -11.677 1.00 0.00 C ATOM 741 O SER A 53 -6.006 17.868 -11.800 1.00 0.00 O ATOM 742 CB SER A 53 -7.173 15.428 -13.644 1.00 0.00 C ATOM 743 OG SER A 53 -8.321 15.283 -12.827 1.00 0.00 O ATOM 0 H SER A 53 -5.877 13.596 -12.617 1.00 0.00 H new ATOM 0 HA SER A 53 -5.149 16.121 -13.427 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.320 16.254 -14.340 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.032 14.528 -14.242 1.00 0.00 H new ATOM 0 HG SER A 53 -8.201 14.517 -12.227 1.00 0.00 H new ATOM 749 N MET A 54 -6.798 16.149 -10.583 1.00 0.00 N ATOM 750 CA MET A 54 -7.154 16.981 -9.440 1.00 0.00 C ATOM 751 C MET A 54 -6.115 18.075 -9.218 1.00 0.00 C ATOM 752 O MET A 54 -6.449 19.191 -8.818 1.00 0.00 O ATOM 753 CB MET A 54 -7.286 16.123 -8.180 1.00 0.00 C ATOM 754 CG MET A 54 -8.426 15.119 -8.244 1.00 0.00 C ATOM 755 SD MET A 54 -10.026 15.902 -8.526 1.00 0.00 S ATOM 756 CE MET A 54 -10.542 15.085 -10.034 1.00 0.00 C ATOM 0 H MET A 54 -7.006 15.158 -10.465 1.00 0.00 H new ATOM 0 HA MET A 54 -8.113 17.454 -9.651 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.351 15.588 -8.015 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.436 16.776 -7.320 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.230 14.403 -9.042 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.461 14.555 -7.312 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.599 15.284 -10.213 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.955 15.462 -10.871 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.387 14.010 -9.937 1.00 0.00 H new ATOM 766 N LEU A 55 -4.854 17.748 -9.479 1.00 0.00 N ATOM 767 CA LEU A 55 -3.765 18.704 -9.308 1.00 0.00 C ATOM 768 C LEU A 55 -3.570 19.539 -10.569 1.00 0.00 C ATOM 769 O LEU A 55 -3.501 20.767 -10.507 1.00 0.00 O ATOM 770 CB LEU A 55 -2.467 17.971 -8.962 1.00 0.00 C ATOM 771 CG LEU A 55 -2.487 17.139 -7.680 1.00 0.00 C ATOM 772 CD1 LEU A 55 -2.993 15.733 -7.964 1.00 0.00 C ATOM 773 CD2 LEU A 55 -1.102 17.092 -7.052 1.00 0.00 C ATOM 0 H LEU A 55 -4.560 16.829 -9.810 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.027 19.373 -8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.212 17.314 -9.794 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.668 18.708 -8.881 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.168 17.613 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.000 15.155 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.004 15.785 -8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.338 15.250 -8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.136 16.495 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.399 16.643 -7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.777 18.104 -6.811 1.00 0.00 H new ATOM 785 N ASP A 56 -3.485 18.867 -11.711 1.00 0.00 N ATOM 786 CA ASP A 56 -3.301 19.547 -12.988 1.00 0.00 C ATOM 787 C ASP A 56 -4.301 20.689 -13.143 1.00 0.00 C ATOM 788 O ASP A 56 -3.927 21.862 -13.125 1.00 0.00 O ATOM 789 CB ASP A 56 -3.455 18.558 -14.144 1.00 0.00 C ATOM 790 CG ASP A 56 -2.830 19.067 -15.428 1.00 0.00 C ATOM 791 OD1 ASP A 56 -3.261 20.133 -15.915 1.00 0.00 O ATOM 792 OD2 ASP A 56 -1.911 18.399 -15.947 1.00 0.00 O ATOM 0 H ASP A 56 -3.541 17.851 -11.779 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.294 19.963 -13.009 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.994 17.609 -13.870 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.514 18.361 -14.312 1.00 0.00 H new ATOM 797 N LYS A 57 -5.573 20.339 -13.296 1.00 0.00 N ATOM 798 CA LYS A 57 -6.627 21.333 -13.455 1.00 0.00 C ATOM 799 C LYS A 57 -7.681 21.187 -12.362 1.00 0.00 C ATOM 800 O LYS A 57 -8.098 22.172 -11.753 1.00 0.00 O ATOM 801 CB LYS A 57 -7.282 21.197 -14.831 1.00 0.00 C ATOM 802 CG LYS A 57 -6.292 21.231 -15.982 1.00 0.00 C ATOM 803 CD LYS A 57 -6.776 20.400 -17.159 1.00 0.00 C ATOM 804 CE LYS A 57 -8.085 20.936 -17.719 1.00 0.00 C ATOM 805 NZ LYS A 57 -9.254 20.505 -16.904 1.00 0.00 N ATOM 0 H LYS A 57 -5.899 19.373 -13.313 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.175 22.321 -13.371 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.838 20.260 -14.868 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.005 22.002 -14.961 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.140 22.262 -16.302 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.326 20.856 -15.643 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.017 20.399 -17.942 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.910 19.365 -16.844 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.047 22.025 -17.752 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.210 20.590 -18.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.075 20.358 -17.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.027 19.616 -16.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.478 21.239 -16.202 1.00 0.00 H new ATOM 819 N GLY A 58 -8.107 19.952 -12.118 1.00 0.00 N ATOM 820 CA GLY A 58 -9.108 19.700 -11.097 1.00 0.00 C ATOM 821 C GLY A 58 -10.081 18.608 -11.495 1.00 0.00 C ATOM 822 O GLY A 58 -10.544 17.843 -10.650 1.00 0.00 O ATOM 0 H GLY A 58 -7.777 19.121 -12.609 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.612 19.419 -10.168 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.660 20.619 -10.899 1.00 0.00 H new ATOM 826 N GLU A 59 -10.391 18.536 -12.786 1.00 0.00 N ATOM 827 CA GLU A 59 -11.318 17.531 -13.293 1.00 0.00 C ATOM 828 C GLU A 59 -10.589 16.508 -14.161 1.00 0.00 C ATOM 829 O GLU A 59 -9.673 16.852 -14.906 1.00 0.00 O ATOM 830 CB GLU A 59 -12.436 18.195 -14.098 1.00 0.00 C ATOM 831 CG GLU A 59 -11.975 18.751 -15.435 1.00 0.00 C ATOM 832 CD GLU A 59 -12.026 17.719 -16.545 1.00 0.00 C ATOM 833 OE1 GLU A 59 -13.072 17.052 -16.688 1.00 0.00 O ATOM 834 OE2 GLU A 59 -11.019 17.579 -17.271 1.00 0.00 O ATOM 0 H GLU A 59 -10.014 19.161 -13.499 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.755 17.013 -12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.229 17.468 -14.270 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.867 19.003 -13.507 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.601 19.601 -15.706 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.955 19.124 -15.337 1.00 0.00 H new ATOM 841 N SER A 60 -11.004 15.250 -14.056 1.00 0.00 N ATOM 842 CA SER A 60 -10.389 14.176 -14.828 1.00 0.00 C ATOM 843 C SER A 60 -11.181 13.900 -16.102 1.00 0.00 C ATOM 844 O SER A 60 -12.311 14.362 -16.256 1.00 0.00 O ATOM 845 CB SER A 60 -10.298 12.902 -13.985 1.00 0.00 C ATOM 846 OG SER A 60 -9.606 11.879 -14.681 1.00 0.00 O ATOM 0 H SER A 60 -11.763 14.949 -13.444 1.00 0.00 H new ATOM 0 HA SER A 60 -9.384 14.492 -15.107 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.787 13.118 -13.047 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.300 12.559 -13.730 1.00 0.00 H new ATOM 0 HG SER A 60 -8.657 12.115 -14.751 1.00 0.00 H new ATOM 852 N SER A 61 -10.578 13.144 -17.014 1.00 0.00 N ATOM 853 CA SER A 61 -11.224 12.809 -18.278 1.00 0.00 C ATOM 854 C SER A 61 -10.452 11.715 -19.009 1.00 0.00 C ATOM 855 O SER A 61 -9.238 11.583 -18.851 1.00 0.00 O ATOM 856 CB SER A 61 -11.332 14.051 -19.164 1.00 0.00 C ATOM 857 OG SER A 61 -10.065 14.658 -19.349 1.00 0.00 O ATOM 0 H SER A 61 -9.643 12.752 -16.901 1.00 0.00 H new ATOM 0 HA SER A 61 -12.226 12.439 -18.059 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.751 13.776 -20.132 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.019 14.766 -18.711 1.00 0.00 H new ATOM 0 HG SER A 61 -10.161 15.448 -19.920 1.00 0.00 H new ATOM 863 N CYS A 62 -11.166 10.931 -19.810 1.00 0.00 N ATOM 864 CA CYS A 62 -10.551 9.847 -20.566 1.00 0.00 C ATOM 865 C CYS A 62 -9.133 10.217 -20.992 1.00 0.00 C ATOM 866 O CYS A 62 -8.916 11.124 -21.796 1.00 0.00 O ATOM 867 CB CYS A 62 -11.395 9.514 -21.798 1.00 0.00 C ATOM 868 SG CYS A 62 -10.859 8.014 -22.683 1.00 0.00 S ATOM 0 H CYS A 62 -12.172 11.026 -19.952 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.500 8.970 -19.920 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -12.434 9.390 -21.491 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.364 10.359 -22.486 1.00 0.00 H new ATOM 0 HG CYS A 62 -11.898 7.400 -23.165 1.00 0.00 H new ATOM 873 N PRO A 63 -8.143 9.498 -20.441 1.00 0.00 N ATOM 874 CA PRO A 63 -6.729 9.731 -20.750 1.00 0.00 C ATOM 875 C PRO A 63 -6.370 9.317 -22.173 1.00 0.00 C ATOM 876 O PRO A 63 -5.209 9.386 -22.576 1.00 0.00 O ATOM 877 CB PRO A 63 -5.995 8.851 -19.735 1.00 0.00 C ATOM 878 CG PRO A 63 -6.966 7.772 -19.398 1.00 0.00 C ATOM 879 CD PRO A 63 -8.329 8.402 -19.476 1.00 0.00 C ATOM 0 HA PRO A 63 -6.467 10.787 -20.688 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.078 8.441 -20.157 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.712 9.420 -18.849 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.881 6.939 -20.095 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.777 7.374 -18.401 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.082 7.691 -19.816 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.657 8.773 -18.505 1.00 0.00 H new ATOM 887 N VAL A 64 -7.374 8.887 -22.930 1.00 0.00 N ATOM 888 CA VAL A 64 -7.164 8.463 -24.310 1.00 0.00 C ATOM 889 C VAL A 64 -7.714 9.493 -25.290 1.00 0.00 C ATOM 890 O VAL A 64 -7.011 9.942 -26.196 1.00 0.00 O ATOM 891 CB VAL A 64 -7.829 7.102 -24.586 1.00 0.00 C ATOM 892 CG1 VAL A 64 -7.566 6.660 -26.017 1.00 0.00 C ATOM 893 CG2 VAL A 64 -7.333 6.057 -23.597 1.00 0.00 C ATOM 0 H VAL A 64 -8.341 8.823 -22.612 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.087 8.368 -24.452 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.906 7.210 -24.456 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.044 5.696 -26.194 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.974 7.399 -26.707 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.492 6.568 -26.178 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.813 5.101 -23.806 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.253 5.949 -23.693 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.578 6.371 -22.582 1.00 0.00 H new ATOM 903 N CYS A 65 -8.976 9.864 -25.104 1.00 0.00 N ATOM 904 CA CYS A 65 -9.623 10.841 -25.972 1.00 0.00 C ATOM 905 C CYS A 65 -10.147 12.024 -25.163 1.00 0.00 C ATOM 906 O CYS A 65 -10.634 13.006 -25.725 1.00 0.00 O ATOM 907 CB CYS A 65 -10.771 10.188 -26.744 1.00 0.00 C ATOM 908 SG CYS A 65 -12.075 9.486 -25.684 1.00 0.00 S ATOM 0 H CYS A 65 -9.572 9.503 -24.359 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.881 11.208 -26.681 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -11.217 10.929 -27.407 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.366 9.397 -27.376 1.00 0.00 H new ATOM 0 HG CYS A 65 -11.538 8.972 -24.618 1.00 0.00 H new ATOM 913 N ARG A 66 -10.043 11.923 -23.842 1.00 0.00 N ATOM 914 CA ARG A 66 -10.507 12.984 -22.956 1.00 0.00 C ATOM 915 C ARG A 66 -11.892 13.472 -23.371 1.00 0.00 C ATOM 916 O ARG A 66 -12.100 14.665 -23.594 1.00 0.00 O ATOM 917 CB ARG A 66 -9.520 14.153 -22.964 1.00 0.00 C ATOM 918 CG ARG A 66 -8.249 13.882 -22.175 1.00 0.00 C ATOM 919 CD ARG A 66 -7.188 13.217 -23.038 1.00 0.00 C ATOM 920 NE ARG A 66 -5.836 13.565 -22.609 1.00 0.00 N ATOM 921 CZ ARG A 66 -5.234 14.704 -22.928 1.00 0.00 C ATOM 922 NH1 ARG A 66 -5.860 15.603 -23.676 1.00 0.00 N ATOM 923 NH2 ARG A 66 -4.002 14.948 -22.499 1.00 0.00 N ATOM 0 H ARG A 66 -9.642 11.118 -23.362 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.571 12.578 -21.947 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.255 14.387 -23.995 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.011 15.035 -22.554 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.860 14.819 -21.776 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.478 13.243 -21.322 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.314 12.135 -22.998 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.327 13.515 -24.077 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.326 12.896 -22.032 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.807 15.420 -24.008 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.394 16.477 -23.919 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.517 14.260 -21.923 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.540 15.824 -22.745 1.00 0.00 H new ATOM 937 N ILE A 67 -12.835 12.541 -23.473 1.00 0.00 N ATOM 938 CA ILE A 67 -14.200 12.877 -23.860 1.00 0.00 C ATOM 939 C ILE A 67 -15.129 12.881 -22.651 1.00 0.00 C ATOM 940 O ILE A 67 -14.938 12.116 -21.705 1.00 0.00 O ATOM 941 CB ILE A 67 -14.746 11.890 -24.909 1.00 0.00 C ATOM 942 CG1 ILE A 67 -14.081 12.135 -26.265 1.00 0.00 C ATOM 943 CG2 ILE A 67 -16.257 12.021 -25.023 1.00 0.00 C ATOM 944 CD1 ILE A 67 -14.727 11.373 -27.401 1.00 0.00 C ATOM 0 H ILE A 67 -12.679 11.549 -23.293 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.168 13.876 -24.294 1.00 0.00 H new ATOM 0 HB ILE A 67 -14.512 10.875 -24.588 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -14.113 13.201 -26.489 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -13.030 11.854 -26.201 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -16.628 11.317 -25.768 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -16.715 11.803 -24.058 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -16.512 13.037 -25.325 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -14.204 11.595 -28.331 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -14.672 10.303 -27.199 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -15.771 11.671 -27.492 1.00 0.00 H new ATOM 956 N SER A 68 -16.137 13.746 -22.689 1.00 0.00 N ATOM 957 CA SER A 68 -17.096 13.852 -21.595 1.00 0.00 C ATOM 958 C SER A 68 -17.431 12.474 -21.032 1.00 0.00 C ATOM 959 O SER A 68 -17.597 11.509 -21.779 1.00 0.00 O ATOM 960 CB SER A 68 -18.373 14.545 -22.074 1.00 0.00 C ATOM 961 OG SER A 68 -18.291 15.948 -21.890 1.00 0.00 O ATOM 0 H SER A 68 -16.311 14.384 -23.466 1.00 0.00 H new ATOM 0 HA SER A 68 -16.643 14.449 -20.803 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.538 14.322 -23.128 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.231 14.153 -21.527 1.00 0.00 H new ATOM 0 HG SER A 68 -19.118 16.368 -22.205 1.00 0.00 H new ATOM 967 N TYR A 69 -17.530 12.391 -19.710 1.00 0.00 N ATOM 968 CA TYR A 69 -17.844 11.131 -19.045 1.00 0.00 C ATOM 969 C TYR A 69 -18.166 11.359 -17.572 1.00 0.00 C ATOM 970 O TYR A 69 -17.510 12.152 -16.898 1.00 0.00 O ATOM 971 CB TYR A 69 -16.674 10.155 -19.178 1.00 0.00 C ATOM 972 CG TYR A 69 -15.657 10.274 -18.065 1.00 0.00 C ATOM 973 CD1 TYR A 69 -15.026 11.483 -17.800 1.00 0.00 C ATOM 974 CD2 TYR A 69 -15.328 9.177 -17.278 1.00 0.00 C ATOM 975 CE1 TYR A 69 -14.096 11.596 -16.785 1.00 0.00 C ATOM 976 CE2 TYR A 69 -14.400 9.281 -16.260 1.00 0.00 C ATOM 977 CZ TYR A 69 -13.787 10.492 -16.018 1.00 0.00 C ATOM 978 OH TYR A 69 -12.862 10.601 -15.005 1.00 0.00 O ATOM 0 H TYR A 69 -17.398 13.180 -19.078 1.00 0.00 H new ATOM 0 HA TYR A 69 -18.722 10.703 -19.528 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.062 9.136 -19.197 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.177 10.325 -20.133 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.267 12.350 -18.398 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -15.806 8.227 -17.465 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.614 12.543 -16.593 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.156 8.419 -15.657 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.429 9.733 -14.862 1.00 0.00 H new ATOM 988 N GLN A 70 -19.181 10.656 -17.080 1.00 0.00 N ATOM 989 CA GLN A 70 -19.592 10.781 -15.686 1.00 0.00 C ATOM 990 C GLN A 70 -19.013 9.648 -14.845 1.00 0.00 C ATOM 991 O GLN A 70 -19.504 8.519 -14.857 1.00 0.00 O ATOM 992 CB GLN A 70 -21.118 10.783 -15.580 1.00 0.00 C ATOM 993 CG GLN A 70 -21.629 11.045 -14.172 1.00 0.00 C ATOM 994 CD GLN A 70 -23.143 11.062 -14.096 1.00 0.00 C ATOM 995 OE1 GLN A 70 -23.819 10.272 -14.755 1.00 0.00 O ATOM 996 NE2 GLN A 70 -23.685 11.967 -13.288 1.00 0.00 N ATOM 0 H GLN A 70 -19.734 9.994 -17.625 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.208 11.726 -15.303 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -21.520 11.543 -16.251 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -21.499 9.821 -15.923 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -21.244 10.278 -13.501 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -21.240 12.001 -13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -23.087 12.603 -12.760 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -24.699 12.026 -13.196 1.00 0.00 H new ATOM 1005 N PRO A 71 -17.943 9.954 -14.096 1.00 0.00 N ATOM 1006 CA PRO A 71 -17.274 8.975 -13.234 1.00 0.00 C ATOM 1007 C PRO A 71 -18.126 8.583 -12.031 1.00 0.00 C ATOM 1008 O PRO A 71 -17.956 7.504 -11.464 1.00 0.00 O ATOM 1009 CB PRO A 71 -16.011 9.708 -12.777 1.00 0.00 C ATOM 1010 CG PRO A 71 -16.358 11.154 -12.870 1.00 0.00 C ATOM 1011 CD PRO A 71 -17.304 11.279 -14.032 1.00 0.00 C ATOM 0 HA PRO A 71 -17.075 8.040 -13.758 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.739 9.431 -11.759 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.160 9.463 -13.412 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.824 11.504 -11.948 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.466 11.760 -13.026 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -18.036 12.071 -13.871 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.776 11.516 -14.956 1.00 0.00 H new ATOM 1019 N GLU A 72 -19.044 9.466 -11.649 1.00 0.00 N ATOM 1020 CA GLU A 72 -19.922 9.210 -10.513 1.00 0.00 C ATOM 1021 C GLU A 72 -20.572 7.835 -10.627 1.00 0.00 C ATOM 1022 O GLU A 72 -20.635 7.084 -9.655 1.00 0.00 O ATOM 1023 CB GLU A 72 -21.001 10.291 -10.422 1.00 0.00 C ATOM 1024 CG GLU A 72 -20.520 11.579 -9.776 1.00 0.00 C ATOM 1025 CD GLU A 72 -20.417 11.472 -8.267 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -20.009 10.399 -7.774 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -20.745 12.461 -7.578 1.00 0.00 O ATOM 0 H GLU A 72 -19.199 10.363 -12.109 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.318 9.232 -9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -21.367 10.512 -11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -21.845 9.902 -9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.545 11.844 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.204 12.388 -10.033 1.00 0.00 H new ATOM 1034 N ASN A 73 -21.056 7.512 -11.822 1.00 0.00 N ATOM 1035 CA ASN A 73 -21.703 6.228 -12.064 1.00 0.00 C ATOM 1036 C ASN A 73 -21.044 5.497 -13.229 1.00 0.00 C ATOM 1037 O ASN A 73 -21.496 5.593 -14.371 1.00 0.00 O ATOM 1038 CB ASN A 73 -23.193 6.429 -12.350 1.00 0.00 C ATOM 1039 CG ASN A 73 -23.818 7.478 -11.450 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -24.156 7.202 -10.299 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -23.975 8.689 -11.973 1.00 0.00 N ATOM 0 H ASN A 73 -21.012 8.122 -12.638 1.00 0.00 H new ATOM 0 HA ASN A 73 -21.591 5.619 -11.167 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -23.324 6.723 -13.391 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.717 5.482 -12.218 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -24.390 9.435 -11.416 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -23.680 8.873 -12.932 1.00 0.00 H new ATOM 1048 N ILE A 74 -19.974 4.767 -12.934 1.00 0.00 N ATOM 1049 CA ILE A 74 -19.254 4.019 -13.957 1.00 0.00 C ATOM 1050 C ILE A 74 -19.522 2.523 -13.835 1.00 0.00 C ATOM 1051 O ILE A 74 -19.663 1.995 -12.732 1.00 0.00 O ATOM 1052 CB ILE A 74 -17.736 4.266 -13.871 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -17.423 5.744 -14.110 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -17.000 3.394 -14.877 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -17.356 6.119 -15.573 1.00 0.00 C ATOM 0 H ILE A 74 -19.586 4.678 -11.995 1.00 0.00 H new ATOM 0 HA ILE A 74 -19.618 4.373 -14.922 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.396 3.999 -12.870 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -18.185 6.352 -13.622 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.471 5.986 -13.637 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -15.928 3.580 -14.804 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -17.202 2.344 -14.665 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -17.342 3.632 -15.884 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.130 7.181 -15.666 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.574 5.538 -16.062 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -18.315 5.909 -16.047 1.00 0.00 H new ATOM 1067 N ARG A 75 -19.591 1.845 -14.976 1.00 0.00 N ATOM 1068 CA ARG A 75 -19.841 0.409 -14.997 1.00 0.00 C ATOM 1069 C ARG A 75 -19.083 -0.259 -16.141 1.00 0.00 C ATOM 1070 O ARG A 75 -18.938 0.297 -17.230 1.00 0.00 O ATOM 1071 CB ARG A 75 -21.340 0.133 -15.135 1.00 0.00 C ATOM 1072 CG ARG A 75 -21.900 0.483 -16.503 1.00 0.00 C ATOM 1073 CD ARG A 75 -23.359 0.904 -16.417 1.00 0.00 C ATOM 1074 NE ARG A 75 -23.923 1.198 -17.731 1.00 0.00 N ATOM 1075 CZ ARG A 75 -24.357 0.265 -18.571 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -24.293 -1.016 -18.234 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -24.857 0.612 -19.750 1.00 0.00 N ATOM 0 H ARG A 75 -19.477 2.267 -15.898 1.00 0.00 H new ATOM 0 HA ARG A 75 -19.486 -0.010 -14.055 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.527 -0.922 -14.935 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.877 0.702 -14.376 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -21.313 1.289 -16.942 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -21.807 -0.377 -17.166 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.938 0.111 -15.944 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.445 1.785 -15.781 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.987 2.174 -18.020 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -23.910 -1.287 -17.328 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -24.627 -1.731 -18.881 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -24.908 1.596 -20.012 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -25.190 -0.106 -20.394 1.00 0.00 H new