USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 601 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 80 GLN : amide:sc= -8.72! C(o=-13!,f=-18!) USER MOD Set 1.2: A 84 ASN : amide:sc= -4.75! C(o=-13!,f=-18!) USER MOD Set 2.1: A 31 HIS : no HE2:sc= -2.25! K(o=-2!,f=-4.8) USER MOD Set 2.2: A 34 GLN : amide:sc= -0.406! C(o=-2!,f=-8.1!) USER MOD Set 2.3: A 57 GLN : amide:sc= 0.697 K(o=-2,f=-8.1!) USER MOD Set 3.1: A 33 MET CE :methyl 147:sc= -4.27! (180deg=-8.95!) USER MOD Set 3.2: A 94 MET CE :methyl -174:sc= -14.6! (180deg=-16!) USER MOD Single : A 15 SER OG : rot -50:sc= -1.17 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 24 ASN : amide:sc= -0.221 X(o=-0.22,f=0.18) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0478) USER MOD Single : A 30 GLN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 37 MET CE :methyl 146:sc= -0.563 (180deg=-3.23!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 58 GLN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.39 K(o=-0.39,f=-2.6!) USER MOD Single : A 70 THR OG1 : rot 87:sc= 0.954 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 74 MET CE :methyl -157:sc= -0.211 (180deg=-1.46!) USER MOD Single : A 75 CYS SG : rot 180:sc= 0.0965 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 82 MET CE :methyl 130:sc= -0.129 (180deg=-0.857) USER MOD Single : A 85 GLN : amide:sc= -3.78! C(o=-3.8!,f=-4.8!) USER MOD Single : A 86 CYS SG : rot -29:sc= -6.8! USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 97 GLN : amide:sc= -1.92! C(o=-1.9!,f=-4.6!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -149:sc= -0.497 (180deg=-2.54!) USER MOD Single : A 104 SER OG : rot -71:sc= 0.644 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 108 GLN : amide:sc=-0.00326 K(o=-0.0033,f=-1.5) USER MOD Single : A 110 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 217 N SER A 15 -40.063 -13.499 17.044 1.00 0.00 N ATOM 218 CA SER A 15 -39.806 -12.723 15.798 1.00 0.00 C ATOM 219 C SER A 15 -40.999 -12.868 14.851 1.00 0.00 C ATOM 220 O SER A 15 -41.720 -13.846 14.892 1.00 0.00 O ATOM 221 CB SER A 15 -38.545 -13.258 15.114 1.00 0.00 C ATOM 222 OG SER A 15 -38.837 -14.499 14.489 1.00 0.00 O ATOM 0 HA SER A 15 -39.666 -11.671 16.048 1.00 0.00 H new ATOM 0 HB2 SER A 15 -38.187 -12.541 14.375 1.00 0.00 H new ATOM 0 HB3 SER A 15 -37.747 -13.386 15.846 1.00 0.00 H new ATOM 0 HG SER A 15 -39.287 -15.090 15.129 1.00 0.00 H new ATOM 228 N CYS A 16 -41.213 -11.903 13.999 1.00 0.00 N ATOM 229 CA CYS A 16 -42.360 -11.987 13.051 1.00 0.00 C ATOM 230 C CYS A 16 -41.947 -12.806 11.827 1.00 0.00 C ATOM 231 O CYS A 16 -42.763 -13.444 11.190 1.00 0.00 O ATOM 232 CB CYS A 16 -42.759 -10.578 12.611 1.00 0.00 C ATOM 233 SG CYS A 16 -44.462 -10.596 11.998 1.00 0.00 S ATOM 0 H CYS A 16 -40.644 -11.061 13.918 1.00 0.00 H new ATOM 0 HA CYS A 16 -43.206 -12.468 13.542 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -42.670 -9.885 13.448 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -42.084 -10.224 11.831 1.00 0.00 H new ATOM 238 N GLU A 17 -40.685 -12.794 11.491 1.00 0.00 N ATOM 239 CA GLU A 17 -40.220 -13.572 10.309 1.00 0.00 C ATOM 240 C GLU A 17 -40.565 -15.049 10.504 1.00 0.00 C ATOM 241 O GLU A 17 -40.883 -15.752 9.565 1.00 0.00 O ATOM 242 CB GLU A 17 -38.706 -13.417 10.160 1.00 0.00 C ATOM 243 CG GLU A 17 -38.374 -11.962 9.823 1.00 0.00 C ATOM 244 CD GLU A 17 -36.870 -11.827 9.576 1.00 0.00 C ATOM 245 OE1 GLU A 17 -36.165 -12.800 9.787 1.00 0.00 O ATOM 246 OE2 GLU A 17 -36.449 -10.752 9.182 1.00 0.00 O ATOM 0 H GLU A 17 -39.956 -12.278 11.985 1.00 0.00 H new ATOM 0 HA GLU A 17 -40.713 -13.199 9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -38.207 -13.711 11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -38.337 -14.077 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -38.928 -11.646 8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -38.679 -11.309 10.641 1.00 0.00 H new ATOM 253 N ARG A 18 -40.505 -15.527 11.717 1.00 0.00 N ATOM 254 CA ARG A 18 -40.830 -16.958 11.971 1.00 0.00 C ATOM 255 C ARG A 18 -42.326 -17.186 11.754 1.00 0.00 C ATOM 256 O ARG A 18 -42.774 -18.300 11.569 1.00 0.00 O ATOM 257 CB ARG A 18 -40.462 -17.317 13.410 1.00 0.00 C ATOM 258 CG ARG A 18 -38.939 -17.352 13.555 1.00 0.00 C ATOM 259 CD ARG A 18 -38.570 -17.802 14.969 1.00 0.00 C ATOM 260 NE ARG A 18 -37.113 -17.586 15.195 1.00 0.00 N ATOM 261 CZ ARG A 18 -36.472 -18.319 16.063 1.00 0.00 C ATOM 262 NH1 ARG A 18 -36.539 -19.620 15.994 1.00 0.00 N ATOM 263 NH2 ARG A 18 -35.764 -17.751 17.001 1.00 0.00 N ATOM 0 H ARG A 18 -40.245 -14.988 12.543 1.00 0.00 H new ATOM 0 HA ARG A 18 -40.263 -17.587 11.285 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -40.887 -16.586 14.098 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -40.885 -18.286 13.674 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -38.509 -18.034 12.821 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -38.522 -16.365 13.356 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -39.150 -17.242 15.703 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -38.817 -18.855 15.103 1.00 0.00 H new ATOM 0 HE ARG A 18 -36.617 -16.865 14.671 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -37.093 -20.064 15.261 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -36.038 -20.193 16.673 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -35.712 -16.734 17.055 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -35.263 -18.324 17.680 1.00 0.00 H new ATOM 277 N GLN A 19 -43.103 -16.137 11.770 1.00 0.00 N ATOM 278 CA GLN A 19 -44.569 -16.295 11.560 1.00 0.00 C ATOM 279 C GLN A 19 -44.858 -16.366 10.061 1.00 0.00 C ATOM 280 O GLN A 19 -45.811 -16.983 9.630 1.00 0.00 O ATOM 281 CB GLN A 19 -45.304 -15.097 12.166 1.00 0.00 C ATOM 282 CG GLN A 19 -46.814 -15.316 12.054 1.00 0.00 C ATOM 283 CD GLN A 19 -47.548 -14.172 12.756 1.00 0.00 C ATOM 284 OE1 GLN A 19 -46.934 -13.346 13.401 1.00 0.00 O ATOM 285 NE2 GLN A 19 -48.847 -14.090 12.657 1.00 0.00 N ATOM 0 H GLN A 19 -42.786 -15.179 11.919 1.00 0.00 H new ATOM 0 HA GLN A 19 -44.911 -17.210 12.042 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -45.020 -14.973 13.211 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -45.019 -14.182 11.648 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -47.109 -15.363 11.006 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -47.089 -16.270 12.505 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -49.362 -14.784 12.115 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -49.347 -13.332 13.121 1.00 0.00 H new ATOM 294 N VAL A 20 -44.039 -15.739 9.261 1.00 0.00 N ATOM 295 CA VAL A 20 -44.263 -15.771 7.789 1.00 0.00 C ATOM 296 C VAL A 20 -43.937 -17.168 7.258 1.00 0.00 C ATOM 297 O VAL A 20 -44.588 -17.670 6.364 1.00 0.00 O ATOM 298 CB VAL A 20 -43.356 -14.742 7.112 1.00 0.00 C ATOM 299 CG1 VAL A 20 -43.886 -14.439 5.709 1.00 0.00 C ATOM 300 CG2 VAL A 20 -43.338 -13.455 7.939 1.00 0.00 C ATOM 0 H VAL A 20 -43.224 -15.206 9.564 1.00 0.00 H new ATOM 0 HA VAL A 20 -45.304 -15.532 7.573 1.00 0.00 H new ATOM 0 HB VAL A 20 -42.345 -15.142 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -43.240 -13.706 5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -43.899 -15.355 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -44.898 -14.040 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -42.692 -12.722 7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -44.349 -13.055 8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -42.960 -13.670 8.939 1.00 0.00 H new ATOM 310 N ASP A 21 -42.932 -17.798 7.801 1.00 0.00 N ATOM 311 CA ASP A 21 -42.565 -19.162 7.326 1.00 0.00 C ATOM 312 C ASP A 21 -43.804 -20.058 7.346 1.00 0.00 C ATOM 313 O ASP A 21 -43.870 -21.058 6.659 1.00 0.00 O ATOM 314 CB ASP A 21 -41.494 -19.751 8.246 1.00 0.00 C ATOM 315 CG ASP A 21 -40.142 -19.108 7.931 1.00 0.00 C ATOM 316 OD1 ASP A 21 -40.084 -18.322 6.999 1.00 0.00 O ATOM 317 OD2 ASP A 21 -39.187 -19.411 8.628 1.00 0.00 O ATOM 0 H ASP A 21 -42.350 -17.428 8.552 1.00 0.00 H new ATOM 0 HA ASP A 21 -42.177 -19.101 6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -41.758 -19.575 9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -41.436 -20.831 8.110 1.00 0.00 H new ATOM 322 N ARG A 22 -44.789 -19.708 8.128 1.00 0.00 N ATOM 323 CA ARG A 22 -46.023 -20.540 8.190 1.00 0.00 C ATOM 324 C ARG A 22 -46.969 -20.136 7.058 1.00 0.00 C ATOM 325 O ARG A 22 -47.854 -20.878 6.680 1.00 0.00 O ATOM 326 CB ARG A 22 -46.717 -20.326 9.535 1.00 0.00 C ATOM 327 CG ARG A 22 -48.033 -21.107 9.560 1.00 0.00 C ATOM 328 CD ARG A 22 -48.768 -20.825 10.871 1.00 0.00 C ATOM 329 NE ARG A 22 -49.229 -19.408 10.886 1.00 0.00 N ATOM 330 CZ ARG A 22 -50.115 -19.021 11.762 1.00 0.00 C ATOM 331 NH1 ARG A 22 -49.728 -18.531 12.908 1.00 0.00 N ATOM 332 NH2 ARG A 22 -51.387 -19.122 11.492 1.00 0.00 N ATOM 0 H ARG A 22 -44.792 -18.882 8.726 1.00 0.00 H new ATOM 0 HA ARG A 22 -45.756 -21.591 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -46.070 -20.657 10.347 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -46.909 -19.265 9.693 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -48.655 -20.819 8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -47.837 -22.175 9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -49.620 -21.497 10.975 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -48.108 -21.013 11.718 1.00 0.00 H new ATOM 0 HE ARG A 22 -48.852 -18.741 10.212 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -48.733 -18.451 13.118 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -50.420 -18.228 13.593 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -51.689 -19.504 10.596 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -52.079 -18.819 12.177 1.00 0.00 H new ATOM 346 N VAL A 23 -46.791 -18.964 6.514 1.00 0.00 N ATOM 347 CA VAL A 23 -47.680 -18.512 5.407 1.00 0.00 C ATOM 348 C VAL A 23 -47.807 -19.627 4.370 1.00 0.00 C ATOM 349 O VAL A 23 -48.779 -20.355 4.340 1.00 0.00 O ATOM 350 CB VAL A 23 -47.083 -17.268 4.747 1.00 0.00 C ATOM 351 CG1 VAL A 23 -47.851 -16.952 3.463 1.00 0.00 C ATOM 352 CG2 VAL A 23 -47.186 -16.080 5.708 1.00 0.00 C ATOM 0 H VAL A 23 -46.068 -18.299 6.788 1.00 0.00 H new ATOM 0 HA VAL A 23 -48.665 -18.272 5.807 1.00 0.00 H new ATOM 0 HB VAL A 23 -46.036 -17.452 4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -47.425 -16.065 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -47.777 -17.797 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -48.899 -16.768 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -46.761 -15.194 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -48.233 -15.896 5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -46.638 -16.304 6.623 1.00 0.00 H new ATOM 362 N ASN A 24 -46.831 -19.764 3.518 1.00 0.00 N ATOM 363 CA ASN A 24 -46.892 -20.830 2.479 1.00 0.00 C ATOM 364 C ASN A 24 -48.225 -20.739 1.735 1.00 0.00 C ATOM 365 O ASN A 24 -49.059 -21.618 1.827 1.00 0.00 O ATOM 366 CB ASN A 24 -46.770 -22.201 3.146 1.00 0.00 C ATOM 367 CG ASN A 24 -45.493 -22.248 3.987 1.00 0.00 C ATOM 368 OD1 ASN A 24 -45.507 -22.712 5.110 1.00 0.00 O ATOM 369 ND2 ASN A 24 -44.380 -21.783 3.488 1.00 0.00 N ATOM 0 H ASN A 24 -45.992 -19.184 3.496 1.00 0.00 H new ATOM 0 HA ASN A 24 -46.072 -20.698 1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -47.640 -22.390 3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -46.748 -22.985 2.389 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -43.523 -21.809 4.041 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -44.367 -21.393 2.545 1.00 0.00 H new ATOM 376 N LEU A 25 -48.433 -19.680 1.001 1.00 0.00 N ATOM 377 CA LEU A 25 -49.712 -19.532 0.253 1.00 0.00 C ATOM 378 C LEU A 25 -49.477 -19.855 -1.223 1.00 0.00 C ATOM 379 O LEU A 25 -49.613 -19.008 -2.083 1.00 0.00 O ATOM 380 CB LEU A 25 -50.216 -18.094 0.385 1.00 0.00 C ATOM 381 CG LEU A 25 -51.223 -18.011 1.535 1.00 0.00 C ATOM 382 CD1 LEU A 25 -50.626 -18.663 2.784 1.00 0.00 C ATOM 383 CD2 LEU A 25 -51.543 -16.544 1.828 1.00 0.00 C ATOM 0 H LEU A 25 -47.772 -18.911 0.887 1.00 0.00 H new ATOM 0 HA LEU A 25 -50.455 -20.217 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -49.380 -17.420 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -50.684 -17.774 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 25 -52.138 -18.533 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -51.343 -18.604 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -50.399 -19.708 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -49.711 -18.142 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -52.260 -16.485 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -50.629 -16.021 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -51.969 -16.080 0.938 1.00 0.00 H new ATOM 395 N LYS A 26 -49.127 -21.076 -1.523 1.00 0.00 N ATOM 396 CA LYS A 26 -48.886 -21.458 -2.942 1.00 0.00 C ATOM 397 C LYS A 26 -50.180 -21.317 -3.752 1.00 0.00 C ATOM 398 O LYS A 26 -50.161 -20.870 -4.881 1.00 0.00 O ATOM 399 CB LYS A 26 -48.400 -22.906 -3.004 1.00 0.00 C ATOM 400 CG LYS A 26 -46.871 -22.928 -3.082 1.00 0.00 C ATOM 401 CD LYS A 26 -46.356 -24.297 -2.636 1.00 0.00 C ATOM 402 CE LYS A 26 -46.367 -24.373 -1.108 1.00 0.00 C ATOM 403 NZ LYS A 26 -45.168 -23.671 -0.568 1.00 0.00 N ATOM 0 H LYS A 26 -48.997 -21.827 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 26 -48.128 -20.798 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -48.738 -23.452 -2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -48.826 -23.407 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -46.545 -22.720 -4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -46.453 -22.146 -2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -46.980 -25.086 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -45.345 -24.457 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -47.276 -23.916 -0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -46.369 -25.414 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -45.082 -23.864 0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -44.316 -24.011 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -45.268 -22.647 -0.719 1.00 0.00 H new ATOM 417 N PRO A 27 -51.330 -21.707 -3.171 1.00 0.00 N ATOM 418 CA PRO A 27 -52.625 -21.619 -3.859 1.00 0.00 C ATOM 419 C PRO A 27 -53.049 -20.166 -4.082 1.00 0.00 C ATOM 420 O PRO A 27 -53.618 -19.826 -5.101 1.00 0.00 O ATOM 421 CB PRO A 27 -53.592 -22.317 -2.901 1.00 0.00 C ATOM 422 CG PRO A 27 -52.948 -22.192 -1.563 1.00 0.00 C ATOM 423 CD PRO A 27 -51.468 -22.259 -1.807 1.00 0.00 C ATOM 0 HA PRO A 27 -52.596 -22.072 -4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -54.574 -21.844 -2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -53.737 -23.362 -3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -53.222 -21.252 -1.085 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -53.270 -22.994 -0.899 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -50.912 -21.672 -1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -51.095 -23.281 -1.746 1.00 0.00 H new ATOM 431 N CYS A 28 -52.769 -19.302 -3.146 1.00 0.00 N ATOM 432 CA CYS A 28 -53.148 -17.872 -3.320 1.00 0.00 C ATOM 433 C CYS A 28 -52.374 -17.296 -4.508 1.00 0.00 C ATOM 434 O CYS A 28 -52.949 -16.849 -5.484 1.00 0.00 O ATOM 435 CB CYS A 28 -52.797 -17.092 -2.052 1.00 0.00 C ATOM 436 SG CYS A 28 -54.179 -16.009 -1.609 1.00 0.00 S ATOM 0 H CYS A 28 -52.295 -19.524 -2.270 1.00 0.00 H new ATOM 0 HA CYS A 28 -54.219 -17.792 -3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -52.585 -17.781 -1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.895 -16.501 -2.213 1.00 0.00 H new ATOM 441 N GLU A 29 -51.070 -17.315 -4.439 1.00 0.00 N ATOM 442 CA GLU A 29 -50.263 -16.780 -5.568 1.00 0.00 C ATOM 443 C GLU A 29 -50.721 -17.450 -6.863 1.00 0.00 C ATOM 444 O GLU A 29 -50.646 -16.879 -7.933 1.00 0.00 O ATOM 445 CB GLU A 29 -48.782 -17.083 -5.330 1.00 0.00 C ATOM 446 CG GLU A 29 -47.928 -16.108 -6.144 1.00 0.00 C ATOM 447 CD GLU A 29 -46.471 -16.204 -5.690 1.00 0.00 C ATOM 448 OE1 GLU A 29 -46.199 -16.995 -4.802 1.00 0.00 O ATOM 449 OE2 GLU A 29 -45.652 -15.484 -6.236 1.00 0.00 O ATOM 0 H GLU A 29 -50.532 -17.677 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 29 -50.399 -15.701 -5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -48.547 -16.992 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -48.558 -18.110 -5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -48.005 -16.340 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -48.295 -15.090 -6.013 1.00 0.00 H new ATOM 456 N GLN A 30 -51.198 -18.664 -6.775 1.00 0.00 N ATOM 457 CA GLN A 30 -51.663 -19.372 -7.999 1.00 0.00 C ATOM 458 C GLN A 30 -53.023 -18.815 -8.426 1.00 0.00 C ATOM 459 O GLN A 30 -53.421 -18.943 -9.567 1.00 0.00 O ATOM 460 CB GLN A 30 -51.792 -20.868 -7.704 1.00 0.00 C ATOM 461 CG GLN A 30 -50.469 -21.566 -8.028 1.00 0.00 C ATOM 462 CD GLN A 30 -50.508 -23.002 -7.502 1.00 0.00 C ATOM 463 OE1 GLN A 30 -49.516 -23.509 -7.016 1.00 0.00 O ATOM 464 NE2 GLN A 30 -51.618 -23.682 -7.577 1.00 0.00 N ATOM 0 H GLN A 30 -51.285 -19.194 -5.908 1.00 0.00 H new ATOM 0 HA GLN A 30 -50.942 -19.221 -8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -52.050 -21.022 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -52.598 -21.299 -8.298 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -50.300 -21.566 -9.105 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -49.639 -21.024 -7.575 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -52.450 -23.256 -7.985 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -51.654 -24.640 -7.228 1.00 0.00 H new ATOM 473 N HIS A 31 -53.737 -18.189 -7.528 1.00 0.00 N ATOM 474 CA HIS A 31 -55.061 -17.622 -7.900 1.00 0.00 C ATOM 475 C HIS A 31 -54.822 -16.276 -8.569 1.00 0.00 C ATOM 476 O HIS A 31 -55.652 -15.768 -9.297 1.00 0.00 O ATOM 477 CB HIS A 31 -55.910 -17.438 -6.637 1.00 0.00 C ATOM 478 CG HIS A 31 -56.960 -16.386 -6.877 1.00 0.00 C ATOM 479 ND1 HIS A 31 -57.995 -16.567 -7.780 1.00 0.00 N ATOM 480 CD2 HIS A 31 -57.147 -15.138 -6.336 1.00 0.00 C ATOM 481 CE1 HIS A 31 -58.752 -15.455 -7.758 1.00 0.00 C ATOM 482 NE2 HIS A 31 -58.280 -14.551 -6.894 1.00 0.00 N ATOM 0 H HIS A 31 -53.460 -18.047 -6.557 1.00 0.00 H new ATOM 0 HA HIS A 31 -55.590 -18.290 -8.580 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -56.383 -18.382 -6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -55.275 -17.147 -5.800 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -58.154 -17.393 -8.357 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -56.512 -14.681 -5.591 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -59.634 -15.310 -8.365 1.00 0.00 H new ATOM 490 N ILE A 32 -53.679 -15.704 -8.327 1.00 0.00 N ATOM 491 CA ILE A 32 -53.354 -14.392 -8.945 1.00 0.00 C ATOM 492 C ILE A 32 -52.757 -14.632 -10.330 1.00 0.00 C ATOM 493 O ILE A 32 -53.155 -14.024 -11.303 1.00 0.00 O ATOM 494 CB ILE A 32 -52.343 -13.641 -8.074 1.00 0.00 C ATOM 495 CG1 ILE A 32 -52.117 -14.400 -6.762 1.00 0.00 C ATOM 496 CG2 ILE A 32 -52.891 -12.255 -7.761 1.00 0.00 C ATOM 497 CD1 ILE A 32 -51.304 -13.535 -5.797 1.00 0.00 C ATOM 0 H ILE A 32 -52.952 -16.091 -7.725 1.00 0.00 H new ATOM 0 HA ILE A 32 -54.261 -13.793 -9.030 1.00 0.00 H new ATOM 0 HB ILE A 32 -51.397 -13.559 -8.609 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -53.075 -14.661 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -51.592 -15.335 -6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -52.177 -11.713 -7.141 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -53.052 -11.709 -8.691 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -53.837 -12.350 -7.227 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -51.146 -14.079 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -50.340 -13.297 -6.246 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -51.846 -12.612 -5.591 1.00 0.00 H new ATOM 509 N MET A 33 -51.810 -15.523 -10.426 1.00 0.00 N ATOM 510 CA MET A 33 -51.194 -15.812 -11.749 1.00 0.00 C ATOM 511 C MET A 33 -52.263 -16.374 -12.685 1.00 0.00 C ATOM 512 O MET A 33 -52.248 -16.137 -13.876 1.00 0.00 O ATOM 513 CB MET A 33 -50.072 -16.836 -11.575 1.00 0.00 C ATOM 514 CG MET A 33 -49.090 -16.337 -10.513 1.00 0.00 C ATOM 515 SD MET A 33 -48.064 -17.715 -9.943 1.00 0.00 S ATOM 516 CE MET A 33 -46.779 -16.723 -9.144 1.00 0.00 C ATOM 0 H MET A 33 -51.437 -16.063 -9.645 1.00 0.00 H new ATOM 0 HA MET A 33 -50.782 -14.896 -12.173 1.00 0.00 H new ATOM 0 HB2 MET A 33 -50.487 -17.800 -11.279 1.00 0.00 H new ATOM 0 HB3 MET A 33 -49.554 -16.989 -12.522 1.00 0.00 H new ATOM 0 HG2 MET A 33 -48.461 -15.548 -10.926 1.00 0.00 H new ATOM 0 HG3 MET A 33 -49.635 -15.904 -9.674 1.00 0.00 H new ATOM 0 HE1 MET A 33 -46.392 -17.259 -8.277 1.00 0.00 H new ATOM 0 HE2 MET A 33 -45.969 -16.541 -9.850 1.00 0.00 H new ATOM 0 HE3 MET A 33 -47.201 -15.771 -8.823 1.00 0.00 H new ATOM 526 N GLN A 34 -53.194 -17.117 -12.153 1.00 0.00 N ATOM 527 CA GLN A 34 -54.267 -17.695 -13.009 1.00 0.00 C ATOM 528 C GLN A 34 -55.072 -16.567 -13.657 1.00 0.00 C ATOM 529 O GLN A 34 -55.350 -16.592 -14.840 1.00 0.00 O ATOM 530 CB GLN A 34 -55.196 -18.552 -12.149 1.00 0.00 C ATOM 531 CG GLN A 34 -54.648 -19.979 -12.071 1.00 0.00 C ATOM 532 CD GLN A 34 -55.600 -20.846 -11.244 1.00 0.00 C ATOM 533 OE1 GLN A 34 -56.632 -20.383 -10.801 1.00 0.00 O ATOM 534 NE2 GLN A 34 -55.295 -22.095 -11.017 1.00 0.00 N ATOM 0 H GLN A 34 -53.258 -17.349 -11.162 1.00 0.00 H new ATOM 0 HA GLN A 34 -53.816 -18.311 -13.787 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -55.277 -18.127 -11.148 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -56.199 -18.559 -12.575 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -54.539 -20.394 -13.073 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -53.656 -19.975 -11.618 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -54.429 -22.484 -11.389 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -55.923 -22.682 -10.468 1.00 0.00 H new ATOM 543 N ARG A 35 -55.458 -15.580 -12.893 1.00 0.00 N ATOM 544 CA ARG A 35 -56.253 -14.459 -13.472 1.00 0.00 C ATOM 545 C ARG A 35 -55.372 -13.619 -14.398 1.00 0.00 C ATOM 546 O ARG A 35 -55.739 -13.322 -15.518 1.00 0.00 O ATOM 547 CB ARG A 35 -56.785 -13.577 -12.341 1.00 0.00 C ATOM 548 CG ARG A 35 -57.872 -14.332 -11.573 1.00 0.00 C ATOM 549 CD ARG A 35 -58.388 -13.457 -10.429 1.00 0.00 C ATOM 550 NE ARG A 35 -59.387 -12.487 -10.959 1.00 0.00 N ATOM 551 CZ ARG A 35 -60.635 -12.566 -10.585 1.00 0.00 C ATOM 552 NH1 ARG A 35 -61.078 -11.804 -9.622 1.00 0.00 N ATOM 553 NH2 ARG A 35 -61.439 -13.408 -11.174 1.00 0.00 N ATOM 0 H ARG A 35 -55.258 -15.502 -11.896 1.00 0.00 H new ATOM 0 HA ARG A 35 -57.086 -14.868 -14.043 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -55.973 -13.302 -11.667 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -57.189 -12.650 -12.748 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -58.691 -14.594 -12.243 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -57.472 -15.266 -11.179 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -58.842 -14.079 -9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -57.560 -12.924 -9.962 1.00 0.00 H new ATOM 0 HE ARG A 35 -59.096 -11.761 -11.614 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -60.449 -11.146 -9.161 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -62.053 -11.866 -9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -61.092 -14.004 -11.926 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -62.414 -13.471 -10.883 1.00 0.00 H new ATOM 567 N ILE A 36 -54.215 -13.225 -13.940 1.00 0.00 N ATOM 568 CA ILE A 36 -53.320 -12.395 -14.796 1.00 0.00 C ATOM 569 C ILE A 36 -52.744 -13.248 -15.928 1.00 0.00 C ATOM 570 O ILE A 36 -52.407 -12.748 -16.983 1.00 0.00 O ATOM 571 CB ILE A 36 -52.180 -11.833 -13.945 1.00 0.00 C ATOM 572 CG1 ILE A 36 -51.384 -12.988 -13.329 1.00 0.00 C ATOM 573 CG2 ILE A 36 -52.764 -10.956 -12.835 1.00 0.00 C ATOM 574 CD1 ILE A 36 -50.622 -12.487 -12.100 1.00 0.00 C ATOM 0 H ILE A 36 -53.851 -13.441 -13.012 1.00 0.00 H new ATOM 0 HA ILE A 36 -53.893 -11.574 -15.226 1.00 0.00 H new ATOM 0 HB ILE A 36 -51.517 -11.234 -14.569 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -52.057 -13.798 -13.047 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -50.686 -13.394 -14.062 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -51.955 -10.553 -12.226 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -53.328 -10.135 -13.278 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -53.426 -11.554 -12.209 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -50.056 -13.309 -11.663 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -49.937 -11.692 -12.396 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -51.329 -12.102 -11.365 1.00 0.00 H new ATOM 586 N MET A 37 -52.630 -14.533 -15.726 1.00 0.00 N ATOM 587 CA MET A 37 -52.079 -15.406 -16.800 1.00 0.00 C ATOM 588 C MET A 37 -53.206 -16.247 -17.400 1.00 0.00 C ATOM 589 O MET A 37 -52.974 -17.148 -18.183 1.00 0.00 O ATOM 590 CB MET A 37 -51.009 -16.331 -16.213 1.00 0.00 C ATOM 591 CG MET A 37 -50.008 -15.507 -15.403 1.00 0.00 C ATOM 592 SD MET A 37 -48.484 -16.459 -15.179 1.00 0.00 S ATOM 593 CE MET A 37 -48.134 -16.742 -16.932 1.00 0.00 C ATOM 0 H MET A 37 -52.894 -15.014 -14.866 1.00 0.00 H new ATOM 0 HA MET A 37 -51.633 -14.786 -17.577 1.00 0.00 H new ATOM 0 HB2 MET A 37 -51.474 -17.084 -15.577 1.00 0.00 H new ATOM 0 HB3 MET A 37 -50.495 -16.863 -17.013 1.00 0.00 H new ATOM 0 HG2 MET A 37 -49.792 -14.570 -15.917 1.00 0.00 H new ATOM 0 HG3 MET A 37 -50.434 -15.248 -14.433 1.00 0.00 H new ATOM 0 HE1 MET A 37 -47.056 -16.748 -17.091 1.00 0.00 H new ATOM 0 HE2 MET A 37 -48.551 -17.702 -17.236 1.00 0.00 H new ATOM 0 HE3 MET A 37 -48.584 -15.947 -17.526 1.00 0.00 H new ATOM 603 N GLY A 38 -54.428 -15.960 -17.041 1.00 0.00 N ATOM 604 CA GLY A 38 -55.570 -16.744 -17.591 1.00 0.00 C ATOM 605 C GLY A 38 -55.863 -16.280 -19.020 1.00 0.00 C ATOM 606 O GLY A 38 -56.037 -17.079 -19.918 1.00 0.00 O ATOM 0 H GLY A 38 -54.684 -15.217 -16.391 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -55.332 -17.808 -17.584 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -56.452 -16.610 -16.965 1.00 0.00 H new ATOM 865 N ASP A 55 -64.074 -21.359 -5.999 1.00 0.00 N ATOM 866 CA ASP A 55 -64.559 -21.008 -4.634 1.00 0.00 C ATOM 867 C ASP A 55 -63.487 -21.370 -3.604 1.00 0.00 C ATOM 868 O ASP A 55 -63.408 -20.782 -2.544 1.00 0.00 O ATOM 869 CB ASP A 55 -65.840 -21.788 -4.331 1.00 0.00 C ATOM 870 CG ASP A 55 -66.443 -21.287 -3.018 1.00 0.00 C ATOM 871 OD1 ASP A 55 -65.937 -20.311 -2.491 1.00 0.00 O ATOM 872 OD2 ASP A 55 -67.402 -21.889 -2.562 1.00 0.00 O ATOM 0 HA ASP A 55 -64.765 -19.939 -4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -66.556 -21.663 -5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -65.622 -22.854 -4.260 1.00 0.00 H new ATOM 877 N GLN A 56 -62.660 -22.332 -3.907 1.00 0.00 N ATOM 878 CA GLN A 56 -61.594 -22.729 -2.944 1.00 0.00 C ATOM 879 C GLN A 56 -60.564 -21.603 -2.829 1.00 0.00 C ATOM 880 O GLN A 56 -60.168 -21.221 -1.747 1.00 0.00 O ATOM 881 CB GLN A 56 -60.906 -24.002 -3.441 1.00 0.00 C ATOM 882 CG GLN A 56 -61.833 -25.200 -3.229 1.00 0.00 C ATOM 883 CD GLN A 56 -61.104 -26.486 -3.620 1.00 0.00 C ATOM 884 OE1 GLN A 56 -60.033 -26.441 -4.191 1.00 0.00 O ATOM 885 NE2 GLN A 56 -61.643 -27.640 -3.335 1.00 0.00 N ATOM 0 H GLN A 56 -62.676 -22.860 -4.779 1.00 0.00 H new ATOM 0 HA GLN A 56 -62.039 -22.915 -1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -60.657 -23.904 -4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -59.969 -24.154 -2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -62.147 -25.250 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -62.736 -25.085 -3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -62.542 -27.678 -2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -61.165 -28.504 -3.592 1.00 0.00 H new ATOM 894 N GLN A 57 -60.129 -21.070 -3.937 1.00 0.00 N ATOM 895 CA GLN A 57 -59.125 -19.969 -3.890 1.00 0.00 C ATOM 896 C GLN A 57 -59.616 -18.871 -2.943 1.00 0.00 C ATOM 897 O GLN A 57 -58.879 -18.378 -2.113 1.00 0.00 O ATOM 898 CB GLN A 57 -58.938 -19.387 -5.292 1.00 0.00 C ATOM 899 CG GLN A 57 -58.475 -20.491 -6.245 1.00 0.00 C ATOM 900 CD GLN A 57 -58.532 -19.977 -7.686 1.00 0.00 C ATOM 901 OE1 GLN A 57 -59.279 -19.068 -7.989 1.00 0.00 O ATOM 902 NE2 GLN A 57 -57.771 -20.525 -8.593 1.00 0.00 N ATOM 0 H GLN A 57 -60.425 -21.349 -4.873 1.00 0.00 H new ATOM 0 HA GLN A 57 -58.174 -20.361 -3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -59.874 -18.955 -5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -58.204 -18.581 -5.268 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -57.459 -20.798 -5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -59.110 -21.371 -6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -57.144 -21.288 -8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -57.803 -20.190 -9.556 1.00 0.00 H new ATOM 911 N GLN A 58 -60.856 -18.485 -3.063 1.00 0.00 N ATOM 912 CA GLN A 58 -61.394 -17.419 -2.170 1.00 0.00 C ATOM 913 C GLN A 58 -61.088 -17.772 -0.714 1.00 0.00 C ATOM 914 O GLN A 58 -60.947 -16.907 0.128 1.00 0.00 O ATOM 915 CB GLN A 58 -62.908 -17.309 -2.360 1.00 0.00 C ATOM 916 CG GLN A 58 -63.217 -16.942 -3.812 1.00 0.00 C ATOM 917 CD GLN A 58 -64.642 -16.393 -3.908 1.00 0.00 C ATOM 918 OE1 GLN A 58 -64.919 -15.532 -4.719 1.00 0.00 O ATOM 919 NE2 GLN A 58 -65.563 -16.859 -3.110 1.00 0.00 N ATOM 0 H GLN A 58 -61.520 -18.861 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 58 -60.927 -16.466 -2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -63.387 -18.254 -2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -63.315 -16.553 -1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -62.505 -16.198 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -63.110 -17.819 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -65.330 -17.582 -2.429 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -66.516 -16.500 -3.167 1.00 0.00 H new ATOM 928 N ARG A 59 -60.985 -19.036 -0.409 1.00 0.00 N ATOM 929 CA ARG A 59 -60.690 -19.441 0.995 1.00 0.00 C ATOM 930 C ARG A 59 -59.378 -18.798 1.446 1.00 0.00 C ATOM 931 O ARG A 59 -59.227 -18.413 2.588 1.00 0.00 O ATOM 932 CB ARG A 59 -60.568 -20.964 1.073 1.00 0.00 C ATOM 933 CG ARG A 59 -61.897 -21.603 0.659 1.00 0.00 C ATOM 934 CD ARG A 59 -61.809 -23.121 0.830 1.00 0.00 C ATOM 935 NE ARG A 59 -63.047 -23.754 0.293 1.00 0.00 N ATOM 936 CZ ARG A 59 -63.541 -24.816 0.868 1.00 0.00 C ATOM 937 NH1 ARG A 59 -62.766 -25.831 1.140 1.00 0.00 N ATOM 938 NH2 ARG A 59 -64.809 -24.864 1.173 1.00 0.00 N ATOM 0 H ARG A 59 -61.092 -19.805 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 59 -61.499 -19.109 1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -59.767 -21.310 0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -60.306 -21.267 2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -62.709 -21.204 1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -62.124 -21.356 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -60.934 -23.507 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -61.687 -23.373 1.883 1.00 0.00 H new ATOM 0 HE ARG A 59 -63.509 -23.356 -0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -61.775 -25.794 0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -63.152 -26.661 1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -65.415 -24.071 0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -65.194 -25.695 1.622 1.00 0.00 H new ATOM 952 N CYS A 60 -58.431 -18.676 0.558 1.00 0.00 N ATOM 953 CA CYS A 60 -57.134 -18.052 0.939 1.00 0.00 C ATOM 954 C CYS A 60 -57.407 -16.805 1.781 1.00 0.00 C ATOM 955 O CYS A 60 -57.416 -16.853 2.995 1.00 0.00 O ATOM 956 CB CYS A 60 -56.364 -17.660 -0.324 1.00 0.00 C ATOM 957 SG CYS A 60 -54.861 -16.764 0.137 1.00 0.00 S ATOM 0 H CYS A 60 -58.499 -18.981 -0.413 1.00 0.00 H new ATOM 0 HA CYS A 60 -56.540 -18.761 1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -56.107 -18.551 -0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -56.989 -17.038 -0.965 1.00 0.00 H new ATOM 962 N CYS A 61 -57.634 -15.690 1.144 1.00 0.00 N ATOM 963 CA CYS A 61 -57.914 -14.443 1.909 1.00 0.00 C ATOM 964 C CYS A 61 -58.881 -14.762 3.049 1.00 0.00 C ATOM 965 O CYS A 61 -58.734 -14.284 4.156 1.00 0.00 O ATOM 966 CB CYS A 61 -58.541 -13.401 0.980 1.00 0.00 C ATOM 967 SG CYS A 61 -59.048 -11.958 1.948 1.00 0.00 S ATOM 0 H CYS A 61 -57.638 -15.588 0.129 1.00 0.00 H new ATOM 0 HA CYS A 61 -56.984 -14.046 2.317 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -57.826 -13.105 0.213 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -59.402 -13.828 0.465 1.00 0.00 H new ATOM 972 N ASP A 62 -59.869 -15.570 2.785 1.00 0.00 N ATOM 973 CA ASP A 62 -60.848 -15.927 3.849 1.00 0.00 C ATOM 974 C ASP A 62 -60.099 -16.520 5.042 1.00 0.00 C ATOM 975 O ASP A 62 -60.465 -16.316 6.182 1.00 0.00 O ATOM 976 CB ASP A 62 -61.843 -16.954 3.307 1.00 0.00 C ATOM 977 CG ASP A 62 -62.559 -16.372 2.087 1.00 0.00 C ATOM 978 OD1 ASP A 62 -62.543 -15.161 1.937 1.00 0.00 O ATOM 979 OD2 ASP A 62 -63.111 -17.147 1.323 1.00 0.00 O ATOM 0 H ASP A 62 -60.041 -16.000 1.876 1.00 0.00 H new ATOM 0 HA ASP A 62 -61.389 -15.034 4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -61.323 -17.872 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -62.568 -17.216 4.077 1.00 0.00 H new ATOM 984 N GLU A 63 -59.048 -17.248 4.789 1.00 0.00 N ATOM 985 CA GLU A 63 -58.272 -17.848 5.909 1.00 0.00 C ATOM 986 C GLU A 63 -57.578 -16.731 6.688 1.00 0.00 C ATOM 987 O GLU A 63 -57.632 -16.680 7.901 1.00 0.00 O ATOM 988 CB GLU A 63 -57.222 -18.809 5.347 1.00 0.00 C ATOM 989 CG GLU A 63 -57.903 -20.107 4.903 1.00 0.00 C ATOM 990 CD GLU A 63 -56.842 -21.106 4.437 1.00 0.00 C ATOM 991 OE1 GLU A 63 -55.672 -20.763 4.485 1.00 0.00 O ATOM 992 OE2 GLU A 63 -57.217 -22.197 4.041 1.00 0.00 O ATOM 0 H GLU A 63 -58.693 -17.453 3.855 1.00 0.00 H new ATOM 0 HA GLU A 63 -58.943 -18.396 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -56.707 -18.349 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -56.467 -19.022 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -58.478 -20.529 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -58.606 -19.904 4.095 1.00 0.00 H new ATOM 999 N LEU A 64 -56.930 -15.832 6.000 1.00 0.00 N ATOM 1000 CA LEU A 64 -56.236 -14.714 6.698 1.00 0.00 C ATOM 1001 C LEU A 64 -57.274 -13.820 7.379 1.00 0.00 C ATOM 1002 O LEU A 64 -56.941 -12.931 8.137 1.00 0.00 O ATOM 1003 CB LEU A 64 -55.441 -13.889 5.682 1.00 0.00 C ATOM 1004 CG LEU A 64 -54.228 -14.692 5.206 1.00 0.00 C ATOM 1005 CD1 LEU A 64 -53.495 -15.275 6.415 1.00 0.00 C ATOM 1006 CD2 LEU A 64 -54.694 -15.829 4.296 1.00 0.00 C ATOM 0 H LEU A 64 -56.851 -15.824 4.983 1.00 0.00 H new ATOM 0 HA LEU A 64 -55.555 -15.120 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -56.074 -13.630 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -55.115 -12.952 6.134 1.00 0.00 H new ATOM 0 HG LEU A 64 -53.554 -14.037 4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -52.631 -15.847 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -53.162 -14.465 7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -54.169 -15.929 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -53.830 -16.401 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -55.369 -16.483 4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -55.216 -15.414 3.434 1.00 0.00 H new ATOM 1018 N ASN A 65 -58.533 -14.054 7.123 1.00 0.00 N ATOM 1019 CA ASN A 65 -59.589 -13.222 7.765 1.00 0.00 C ATOM 1020 C ASN A 65 -59.848 -13.748 9.176 1.00 0.00 C ATOM 1021 O ASN A 65 -60.220 -13.011 10.068 1.00 0.00 O ATOM 1022 CB ASN A 65 -60.877 -13.305 6.943 1.00 0.00 C ATOM 1023 CG ASN A 65 -61.946 -12.414 7.580 1.00 0.00 C ATOM 1024 OD1 ASN A 65 -61.642 -11.576 8.406 1.00 0.00 O ATOM 1025 ND2 ASN A 65 -63.194 -12.561 7.230 1.00 0.00 N ATOM 0 H ASN A 65 -58.875 -14.784 6.498 1.00 0.00 H new ATOM 0 HA ASN A 65 -59.261 -12.184 7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -60.688 -12.988 5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -61.227 -14.336 6.898 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -63.914 -11.973 7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -63.450 -13.264 6.537 1.00 0.00 H new ATOM 1032 N GLU A 66 -59.647 -15.020 9.387 1.00 0.00 N ATOM 1033 CA GLU A 66 -59.874 -15.600 10.740 1.00 0.00 C ATOM 1034 C GLU A 66 -58.595 -15.459 11.567 1.00 0.00 C ATOM 1035 O GLU A 66 -58.633 -15.156 12.742 1.00 0.00 O ATOM 1036 CB GLU A 66 -60.237 -17.080 10.607 1.00 0.00 C ATOM 1037 CG GLU A 66 -60.482 -17.673 11.997 1.00 0.00 C ATOM 1038 CD GLU A 66 -60.699 -19.182 11.876 1.00 0.00 C ATOM 1039 OE1 GLU A 66 -60.635 -19.683 10.765 1.00 0.00 O ATOM 1040 OE2 GLU A 66 -60.925 -19.811 12.896 1.00 0.00 O ATOM 0 H GLU A 66 -59.335 -15.684 8.678 1.00 0.00 H new ATOM 0 HA GLU A 66 -60.690 -15.072 11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -61.128 -17.193 9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -59.433 -17.619 10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -59.631 -17.468 12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -61.353 -17.205 12.455 1.00 0.00 H new ATOM 1093 N THR A 70 -52.472 -12.551 11.761 1.00 0.00 N ATOM 1094 CA THR A 70 -51.610 -12.326 10.565 1.00 0.00 C ATOM 1095 C THR A 70 -51.304 -10.833 10.430 1.00 0.00 C ATOM 1096 O THR A 70 -50.275 -10.444 9.916 1.00 0.00 O ATOM 1097 CB THR A 70 -52.340 -12.815 9.311 1.00 0.00 C ATOM 1098 OG1 THR A 70 -53.524 -12.050 9.127 1.00 0.00 O ATOM 1099 CG2 THR A 70 -52.705 -14.291 9.473 1.00 0.00 C ATOM 0 HA THR A 70 -50.677 -12.878 10.680 1.00 0.00 H new ATOM 0 HB THR A 70 -51.691 -12.697 8.443 1.00 0.00 H new ATOM 0 HG1 THR A 70 -53.314 -11.239 8.619 1.00 0.00 H new ATOM 0 HG21 THR A 70 -53.225 -14.638 8.580 1.00 0.00 H new ATOM 0 HG22 THR A 70 -51.797 -14.877 9.615 1.00 0.00 H new ATOM 0 HG23 THR A 70 -53.354 -14.412 10.340 1.00 0.00 H new ATOM 1107 N GLN A 71 -52.194 -9.994 10.889 1.00 0.00 N ATOM 1108 CA GLN A 71 -51.956 -8.526 10.787 1.00 0.00 C ATOM 1109 C GLN A 71 -50.556 -8.197 11.312 1.00 0.00 C ATOM 1110 O GLN A 71 -49.984 -7.177 10.981 1.00 0.00 O ATOM 1111 CB GLN A 71 -53.000 -7.784 11.622 1.00 0.00 C ATOM 1112 CG GLN A 71 -52.963 -6.294 11.274 1.00 0.00 C ATOM 1113 CD GLN A 71 -54.056 -5.561 12.055 1.00 0.00 C ATOM 1114 OE1 GLN A 71 -54.894 -6.181 12.678 1.00 0.00 O ATOM 1115 NE2 GLN A 71 -54.081 -4.256 12.048 1.00 0.00 N ATOM 0 H GLN A 71 -53.074 -10.262 11.329 1.00 0.00 H new ATOM 0 HA GLN A 71 -52.034 -8.216 9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -53.993 -8.190 11.427 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -52.800 -7.926 12.684 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -51.986 -5.877 11.517 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -53.111 -6.156 10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -53.377 -3.735 11.525 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -54.804 -3.757 12.566 1.00 0.00 H new ATOM 1124 N GLY A 72 -50.002 -9.050 12.129 1.00 0.00 N ATOM 1125 CA GLY A 72 -48.641 -8.785 12.675 1.00 0.00 C ATOM 1126 C GLY A 72 -47.739 -8.241 11.565 1.00 0.00 C ATOM 1127 O GLY A 72 -47.171 -7.175 11.683 1.00 0.00 O ATOM 0 H GLY A 72 -50.433 -9.920 12.442 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -48.700 -8.068 13.494 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -48.218 -9.702 13.085 1.00 0.00 H new ATOM 1131 N CYS A 73 -47.602 -8.966 10.489 1.00 0.00 N ATOM 1132 CA CYS A 73 -46.735 -8.488 9.376 1.00 0.00 C ATOM 1133 C CYS A 73 -47.330 -8.928 8.037 1.00 0.00 C ATOM 1134 O CYS A 73 -46.720 -9.666 7.288 1.00 0.00 O ATOM 1135 CB CYS A 73 -45.334 -9.080 9.529 1.00 0.00 C ATOM 1136 SG CYS A 73 -44.723 -8.758 11.203 1.00 0.00 S ATOM 0 H CYS A 73 -48.052 -9.868 10.333 1.00 0.00 H new ATOM 0 HA CYS A 73 -46.676 -7.400 9.407 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -45.358 -10.153 9.339 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -44.660 -8.641 8.793 1.00 0.00 H new ATOM 1141 N MET A 74 -48.515 -8.478 7.726 1.00 0.00 N ATOM 1142 CA MET A 74 -49.143 -8.871 6.434 1.00 0.00 C ATOM 1143 C MET A 74 -48.154 -8.625 5.294 1.00 0.00 C ATOM 1144 O MET A 74 -47.916 -9.484 4.468 1.00 0.00 O ATOM 1145 CB MET A 74 -50.406 -8.037 6.205 1.00 0.00 C ATOM 1146 CG MET A 74 -51.382 -8.263 7.361 1.00 0.00 C ATOM 1147 SD MET A 74 -51.662 -10.039 7.576 1.00 0.00 S ATOM 1148 CE MET A 74 -52.328 -10.365 5.926 1.00 0.00 C ATOM 0 H MET A 74 -49.074 -7.856 8.310 1.00 0.00 H new ATOM 0 HA MET A 74 -49.408 -9.928 6.464 1.00 0.00 H new ATOM 0 HB2 MET A 74 -50.149 -6.980 6.133 1.00 0.00 H new ATOM 0 HB3 MET A 74 -50.873 -8.316 5.261 1.00 0.00 H new ATOM 0 HG2 MET A 74 -50.981 -7.833 8.279 1.00 0.00 H new ATOM 0 HG3 MET A 74 -52.326 -7.757 7.158 1.00 0.00 H new ATOM 0 HE1 MET A 74 -52.936 -11.269 5.951 1.00 0.00 H new ATOM 0 HE2 MET A 74 -52.943 -9.523 5.609 1.00 0.00 H new ATOM 0 HE3 MET A 74 -51.507 -10.500 5.222 1.00 0.00 H new ATOM 1158 N CYS A 75 -47.574 -7.456 5.240 1.00 0.00 N ATOM 1159 CA CYS A 75 -46.600 -7.159 4.153 1.00 0.00 C ATOM 1160 C CYS A 75 -45.590 -8.302 4.049 1.00 0.00 C ATOM 1161 O CYS A 75 -45.337 -8.823 2.980 1.00 0.00 O ATOM 1162 CB CYS A 75 -45.863 -5.855 4.469 1.00 0.00 C ATOM 1163 SG CYS A 75 -47.065 -4.555 4.842 1.00 0.00 S ATOM 0 H CYS A 75 -47.733 -6.696 5.901 1.00 0.00 H new ATOM 0 HA CYS A 75 -47.132 -7.055 3.207 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -45.194 -6.000 5.317 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -45.244 -5.560 3.621 1.00 0.00 H new ATOM 0 HG CYS A 75 -46.438 -3.449 5.112 1.00 0.00 H new ATOM 1168 N GLU A 76 -45.015 -8.703 5.150 1.00 0.00 N ATOM 1169 CA GLU A 76 -44.028 -9.817 5.107 1.00 0.00 C ATOM 1170 C GLU A 76 -44.722 -11.078 4.595 1.00 0.00 C ATOM 1171 O GLU A 76 -44.091 -11.987 4.090 1.00 0.00 O ATOM 1172 CB GLU A 76 -43.481 -10.070 6.515 1.00 0.00 C ATOM 1173 CG GLU A 76 -42.787 -8.806 7.026 1.00 0.00 C ATOM 1174 CD GLU A 76 -42.228 -9.063 8.426 1.00 0.00 C ATOM 1175 OE1 GLU A 76 -42.549 -10.096 8.991 1.00 0.00 O ATOM 1176 OE2 GLU A 76 -41.489 -8.222 8.912 1.00 0.00 O ATOM 0 H GLU A 76 -45.186 -8.308 6.075 1.00 0.00 H new ATOM 0 HA GLU A 76 -43.205 -9.554 4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -44.292 -10.350 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -42.778 -10.903 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -41.983 -8.520 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -43.493 -7.976 7.051 1.00 0.00 H new ATOM 1183 N ALA A 77 -46.021 -11.134 4.708 1.00 0.00 N ATOM 1184 CA ALA A 77 -46.760 -12.330 4.218 1.00 0.00 C ATOM 1185 C ALA A 77 -46.920 -12.226 2.702 1.00 0.00 C ATOM 1186 O ALA A 77 -46.492 -13.090 1.963 1.00 0.00 O ATOM 1187 CB ALA A 77 -48.138 -12.389 4.878 1.00 0.00 C ATOM 0 H ALA A 77 -46.602 -10.403 5.119 1.00 0.00 H new ATOM 0 HA ALA A 77 -46.206 -13.235 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -48.677 -13.265 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -48.021 -12.455 5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -48.700 -11.489 4.628 1.00 0.00 H new ATOM 1193 N LEU A 78 -47.521 -11.168 2.231 1.00 0.00 N ATOM 1194 CA LEU A 78 -47.688 -11.012 0.761 1.00 0.00 C ATOM 1195 C LEU A 78 -46.306 -11.026 0.109 1.00 0.00 C ATOM 1196 O LEU A 78 -46.078 -11.702 -0.875 1.00 0.00 O ATOM 1197 CB LEU A 78 -48.385 -9.683 0.462 1.00 0.00 C ATOM 1198 CG LEU A 78 -48.744 -9.620 -1.024 1.00 0.00 C ATOM 1199 CD1 LEU A 78 -49.906 -10.575 -1.308 1.00 0.00 C ATOM 1200 CD2 LEU A 78 -49.156 -8.192 -1.389 1.00 0.00 C ATOM 0 H LEU A 78 -47.901 -10.410 2.798 1.00 0.00 H new ATOM 0 HA LEU A 78 -48.294 -11.827 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -49.285 -9.587 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -47.733 -8.850 0.725 1.00 0.00 H new ATOM 0 HG LEU A 78 -47.879 -9.912 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -50.163 -10.531 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -49.613 -11.592 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -50.771 -10.283 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -49.412 -8.146 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -50.021 -7.899 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -48.329 -7.512 -1.186 1.00 0.00 H new ATOM 1212 N GLN A 79 -45.378 -10.290 0.659 1.00 0.00 N ATOM 1213 CA GLN A 79 -44.008 -10.262 0.080 1.00 0.00 C ATOM 1214 C GLN A 79 -43.475 -11.690 -0.026 1.00 0.00 C ATOM 1215 O GLN A 79 -42.879 -12.070 -1.014 1.00 0.00 O ATOM 1216 CB GLN A 79 -43.087 -9.438 0.985 1.00 0.00 C ATOM 1217 CG GLN A 79 -43.442 -7.956 0.859 1.00 0.00 C ATOM 1218 CD GLN A 79 -42.477 -7.126 1.710 1.00 0.00 C ATOM 1219 OE1 GLN A 79 -41.688 -7.667 2.457 1.00 0.00 O ATOM 1220 NE2 GLN A 79 -42.509 -5.824 1.626 1.00 0.00 N ATOM 0 H GLN A 79 -45.512 -9.707 1.485 1.00 0.00 H new ATOM 0 HA GLN A 79 -44.040 -9.810 -0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -43.192 -9.761 2.021 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -42.046 -9.599 0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -43.384 -7.645 -0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -44.468 -7.788 1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -43.172 -5.370 0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -41.871 -5.261 2.188 1.00 0.00 H new ATOM 1229 N GLN A 80 -43.687 -12.487 0.983 1.00 0.00 N ATOM 1230 CA GLN A 80 -43.196 -13.893 0.934 1.00 0.00 C ATOM 1231 C GLN A 80 -43.854 -14.613 -0.244 1.00 0.00 C ATOM 1232 O GLN A 80 -43.216 -15.359 -0.962 1.00 0.00 O ATOM 1233 CB GLN A 80 -43.555 -14.609 2.237 1.00 0.00 C ATOM 1234 CG GLN A 80 -42.676 -15.851 2.396 1.00 0.00 C ATOM 1235 CD GLN A 80 -43.022 -16.557 3.709 1.00 0.00 C ATOM 1236 OE1 GLN A 80 -42.406 -16.305 4.726 1.00 0.00 O ATOM 1237 NE2 GLN A 80 -43.987 -17.434 3.729 1.00 0.00 N ATOM 0 H GLN A 80 -44.178 -12.227 1.838 1.00 0.00 H new ATOM 0 HA GLN A 80 -42.113 -13.898 0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -43.412 -13.938 3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -44.607 -14.894 2.230 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -42.829 -16.528 1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -41.623 -15.568 2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -44.503 -17.644 2.875 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -44.226 -17.910 4.599 1.00 0.00 H new ATOM 1246 N ILE A 81 -45.123 -14.393 -0.451 1.00 0.00 N ATOM 1247 CA ILE A 81 -45.819 -15.060 -1.587 1.00 0.00 C ATOM 1248 C ILE A 81 -45.040 -14.799 -2.878 1.00 0.00 C ATOM 1249 O ILE A 81 -44.563 -15.712 -3.524 1.00 0.00 O ATOM 1250 CB ILE A 81 -47.235 -14.495 -1.718 1.00 0.00 C ATOM 1251 CG1 ILE A 81 -48.048 -14.862 -0.473 1.00 0.00 C ATOM 1252 CG2 ILE A 81 -47.908 -15.085 -2.958 1.00 0.00 C ATOM 1253 CD1 ILE A 81 -49.529 -14.571 -0.725 1.00 0.00 C ATOM 0 H ILE A 81 -45.708 -13.780 0.117 1.00 0.00 H new ATOM 0 HA ILE A 81 -45.874 -16.133 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 81 -47.185 -13.410 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -47.909 -15.916 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -47.695 -14.291 0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -48.917 -14.682 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -47.330 -14.824 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -47.958 -16.170 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -50.107 -14.832 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -49.659 -13.511 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -49.877 -15.162 -1.572 1.00 0.00 H new ATOM 1265 N MET A 82 -44.902 -13.558 -3.258 1.00 0.00 N ATOM 1266 CA MET A 82 -44.149 -13.242 -4.502 1.00 0.00 C ATOM 1267 C MET A 82 -42.825 -14.006 -4.496 1.00 0.00 C ATOM 1268 O MET A 82 -42.468 -14.662 -5.453 1.00 0.00 O ATOM 1269 CB MET A 82 -43.867 -11.740 -4.563 1.00 0.00 C ATOM 1270 CG MET A 82 -45.186 -10.970 -4.517 1.00 0.00 C ATOM 1271 SD MET A 82 -44.856 -9.199 -4.698 1.00 0.00 S ATOM 1272 CE MET A 82 -44.447 -9.221 -6.461 1.00 0.00 C ATOM 0 H MET A 82 -45.278 -12.751 -2.760 1.00 0.00 H new ATOM 0 HA MET A 82 -44.740 -13.535 -5.370 1.00 0.00 H new ATOM 0 HB2 MET A 82 -43.232 -11.444 -3.728 1.00 0.00 H new ATOM 0 HB3 MET A 82 -43.324 -11.498 -5.477 1.00 0.00 H new ATOM 0 HG2 MET A 82 -45.847 -11.311 -5.314 1.00 0.00 H new ATOM 0 HG3 MET A 82 -45.699 -11.161 -3.574 1.00 0.00 H new ATOM 0 HE1 MET A 82 -45.019 -8.450 -6.977 1.00 0.00 H new ATOM 0 HE2 MET A 82 -43.382 -9.029 -6.590 1.00 0.00 H new ATOM 0 HE3 MET A 82 -44.693 -10.197 -6.879 1.00 0.00 H new ATOM 1282 N GLU A 83 -42.098 -13.925 -3.419 1.00 0.00 N ATOM 1283 CA GLU A 83 -40.796 -14.645 -3.341 1.00 0.00 C ATOM 1284 C GLU A 83 -41.053 -16.152 -3.299 1.00 0.00 C ATOM 1285 O GLU A 83 -40.156 -16.951 -3.481 1.00 0.00 O ATOM 1286 CB GLU A 83 -40.052 -14.217 -2.074 1.00 0.00 C ATOM 1287 CG GLU A 83 -39.792 -12.710 -2.119 1.00 0.00 C ATOM 1288 CD GLU A 83 -39.006 -12.290 -0.876 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -39.606 -12.217 0.185 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -37.818 -12.047 -1.004 1.00 0.00 O ATOM 0 H GLU A 83 -42.349 -13.391 -2.587 1.00 0.00 H new ATOM 0 HA GLU A 83 -40.191 -14.403 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -40.640 -14.469 -1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -39.109 -14.757 -1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -39.234 -12.453 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -40.737 -12.169 -2.165 1.00 0.00 H new ATOM 1297 N ASN A 84 -42.274 -16.546 -3.061 1.00 0.00 N ATOM 1298 CA ASN A 84 -42.589 -18.001 -3.009 1.00 0.00 C ATOM 1299 C ASN A 84 -42.776 -18.533 -4.431 1.00 0.00 C ATOM 1300 O ASN A 84 -42.620 -19.710 -4.689 1.00 0.00 O ATOM 1301 CB ASN A 84 -43.876 -18.221 -2.210 1.00 0.00 C ATOM 1302 CG ASN A 84 -43.629 -17.887 -0.738 1.00 0.00 C ATOM 1303 OD1 ASN A 84 -42.499 -17.736 -0.318 1.00 0.00 O ATOM 1304 ND2 ASN A 84 -44.646 -17.763 0.070 1.00 0.00 N ATOM 0 H ASN A 84 -43.066 -15.924 -2.901 1.00 0.00 H new ATOM 0 HA ASN A 84 -41.768 -18.531 -2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -44.674 -17.594 -2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -44.205 -19.256 -2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -44.492 -17.539 1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -45.595 -17.890 -0.282 1.00 0.00 H new ATOM 1311 N GLN A 85 -43.106 -17.676 -5.361 1.00 0.00 N ATOM 1312 CA GLN A 85 -43.298 -18.140 -6.765 1.00 0.00 C ATOM 1313 C GLN A 85 -43.173 -16.951 -7.721 1.00 0.00 C ATOM 1314 O GLN A 85 -43.912 -16.832 -8.677 1.00 0.00 O ATOM 1315 CB GLN A 85 -44.686 -18.767 -6.913 1.00 0.00 C ATOM 1316 CG GLN A 85 -44.701 -20.143 -6.243 1.00 0.00 C ATOM 1317 CD GLN A 85 -43.517 -20.971 -6.748 1.00 0.00 C ATOM 1318 OE1 GLN A 85 -43.066 -20.791 -7.862 1.00 0.00 O ATOM 1319 NE2 GLN A 85 -42.992 -21.877 -5.970 1.00 0.00 N ATOM 0 H GLN A 85 -43.250 -16.678 -5.209 1.00 0.00 H new ATOM 0 HA GLN A 85 -42.536 -18.882 -7.006 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -45.438 -18.122 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -44.943 -18.862 -7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -44.645 -20.032 -5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -45.637 -20.656 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -43.371 -22.028 -5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -42.203 -22.434 -6.297 1.00 0.00 H new ATOM 1328 N CYS A 86 -42.241 -16.070 -7.473 1.00 0.00 N ATOM 1329 CA CYS A 86 -42.070 -14.892 -8.372 1.00 0.00 C ATOM 1330 C CYS A 86 -41.191 -15.289 -9.561 1.00 0.00 C ATOM 1331 O CYS A 86 -41.112 -14.585 -10.549 1.00 0.00 O ATOM 1332 CB CYS A 86 -41.410 -13.748 -7.592 1.00 0.00 C ATOM 1333 SG CYS A 86 -40.622 -12.585 -8.737 1.00 0.00 S ATOM 0 H CYS A 86 -41.591 -16.115 -6.688 1.00 0.00 H new ATOM 0 HA CYS A 86 -43.042 -14.561 -8.737 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -42.157 -13.229 -6.991 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -40.668 -14.149 -6.901 1.00 0.00 H new ATOM 0 HG CYS A 86 -40.239 -13.220 -9.805 1.00 0.00 H new ATOM 1338 N ASP A 87 -40.531 -16.412 -9.476 1.00 0.00 N ATOM 1339 CA ASP A 87 -39.661 -16.850 -10.604 1.00 0.00 C ATOM 1340 C ASP A 87 -40.433 -16.725 -11.918 1.00 0.00 C ATOM 1341 O ASP A 87 -39.856 -16.596 -12.980 1.00 0.00 O ATOM 1342 CB ASP A 87 -39.246 -18.308 -10.393 1.00 0.00 C ATOM 1343 CG ASP A 87 -38.307 -18.402 -9.190 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -37.843 -17.366 -8.742 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -38.066 -19.509 -8.736 1.00 0.00 O ATOM 0 H ASP A 87 -40.557 -17.044 -8.676 1.00 0.00 H new ATOM 0 HA ASP A 87 -38.771 -16.222 -10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -40.127 -18.928 -10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -38.750 -18.689 -11.286 1.00 0.00 H new ATOM 1350 N ARG A 88 -41.736 -16.760 -11.856 1.00 0.00 N ATOM 1351 CA ARG A 88 -42.545 -16.643 -13.102 1.00 0.00 C ATOM 1352 C ARG A 88 -42.657 -15.170 -13.499 1.00 0.00 C ATOM 1353 O ARG A 88 -42.917 -14.843 -14.639 1.00 0.00 O ATOM 1354 CB ARG A 88 -43.945 -17.211 -12.856 1.00 0.00 C ATOM 1355 CG ARG A 88 -43.842 -18.705 -12.542 1.00 0.00 C ATOM 1356 CD ARG A 88 -45.242 -19.270 -12.296 1.00 0.00 C ATOM 1357 NE ARG A 88 -45.134 -20.686 -11.846 1.00 0.00 N ATOM 1358 CZ ARG A 88 -44.948 -21.637 -12.720 1.00 0.00 C ATOM 1359 NH1 ARG A 88 -45.948 -22.390 -13.089 1.00 0.00 N ATOM 1360 NH2 ARG A 88 -43.761 -21.835 -13.227 1.00 0.00 N ATOM 0 H ARG A 88 -42.275 -16.865 -10.997 1.00 0.00 H new ATOM 0 HA ARG A 88 -42.061 -17.201 -13.904 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -44.421 -16.687 -12.028 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -44.572 -17.056 -13.734 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -43.366 -19.230 -13.370 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -43.215 -18.861 -11.664 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -45.758 -18.676 -11.542 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -45.835 -19.211 -13.209 1.00 0.00 H new ATOM 0 HE ARG A 88 -45.205 -20.912 -10.854 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -46.876 -22.235 -12.694 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -45.802 -23.133 -13.772 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -42.979 -21.246 -12.940 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -43.616 -22.578 -13.910 1.00 0.00 H new ATOM 1374 N LEU A 89 -42.463 -14.278 -12.566 1.00 0.00 N ATOM 1375 CA LEU A 89 -42.559 -12.827 -12.893 1.00 0.00 C ATOM 1376 C LEU A 89 -41.595 -12.496 -14.034 1.00 0.00 C ATOM 1377 O LEU A 89 -41.712 -11.474 -14.680 1.00 0.00 O ATOM 1378 CB LEU A 89 -42.194 -11.998 -11.659 1.00 0.00 C ATOM 1379 CG LEU A 89 -43.114 -12.368 -10.490 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -43.253 -11.166 -9.554 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -44.494 -12.762 -11.017 1.00 0.00 C ATOM 0 H LEU A 89 -42.243 -14.491 -11.593 1.00 0.00 H new ATOM 0 HA LEU A 89 -43.578 -12.591 -13.199 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -41.154 -12.176 -11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -42.287 -10.935 -11.884 1.00 0.00 H new ATOM 0 HG LEU A 89 -42.684 -13.210 -9.948 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -43.907 -11.427 -8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -42.271 -10.888 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -43.680 -10.326 -10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -45.142 -13.024 -10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -44.927 -11.925 -11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -44.398 -13.619 -11.683 1.00 0.00 H new ATOM 1393 N GLN A 90 -40.644 -13.352 -14.287 1.00 0.00 N ATOM 1394 CA GLN A 90 -39.676 -13.085 -15.387 1.00 0.00 C ATOM 1395 C GLN A 90 -40.431 -12.588 -16.620 1.00 0.00 C ATOM 1396 O GLN A 90 -39.893 -11.878 -17.446 1.00 0.00 O ATOM 1397 CB GLN A 90 -38.925 -14.373 -15.729 1.00 0.00 C ATOM 1398 CG GLN A 90 -37.899 -14.671 -14.633 1.00 0.00 C ATOM 1399 CD GLN A 90 -37.215 -16.008 -14.925 1.00 0.00 C ATOM 1400 OE1 GLN A 90 -37.602 -16.718 -15.831 1.00 0.00 O ATOM 1401 NE2 GLN A 90 -36.206 -16.383 -14.187 1.00 0.00 N ATOM 0 H GLN A 90 -40.496 -14.224 -13.780 1.00 0.00 H new ATOM 0 HA GLN A 90 -38.963 -12.325 -15.069 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -39.626 -15.202 -15.821 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -38.425 -14.270 -16.692 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -37.158 -13.873 -14.587 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -38.390 -14.706 -13.660 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -35.881 -15.786 -13.426 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -35.742 -17.273 -14.371 1.00 0.00 H new ATOM 1410 N ASP A 91 -41.678 -12.953 -16.750 1.00 0.00 N ATOM 1411 CA ASP A 91 -42.468 -12.499 -17.930 1.00 0.00 C ATOM 1412 C ASP A 91 -42.950 -11.066 -17.695 1.00 0.00 C ATOM 1413 O ASP A 91 -43.627 -10.779 -16.727 1.00 0.00 O ATOM 1414 CB ASP A 91 -43.674 -13.418 -18.122 1.00 0.00 C ATOM 1415 CG ASP A 91 -44.366 -13.082 -19.445 1.00 0.00 C ATOM 1416 OD1 ASP A 91 -43.832 -12.263 -20.177 1.00 0.00 O ATOM 1417 OD2 ASP A 91 -45.415 -13.647 -19.704 1.00 0.00 O ATOM 0 H ASP A 91 -42.183 -13.545 -16.091 1.00 0.00 H new ATOM 0 HA ASP A 91 -41.843 -12.532 -18.822 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -43.354 -14.460 -18.121 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -44.372 -13.298 -17.293 1.00 0.00 H new ATOM 1422 N ARG A 92 -42.609 -10.164 -18.574 1.00 0.00 N ATOM 1423 CA ARG A 92 -43.049 -8.751 -18.401 1.00 0.00 C ATOM 1424 C ARG A 92 -44.557 -8.712 -18.147 1.00 0.00 C ATOM 1425 O ARG A 92 -45.083 -7.756 -17.612 1.00 0.00 O ATOM 1426 CB ARG A 92 -42.724 -7.959 -19.669 1.00 0.00 C ATOM 1427 CG ARG A 92 -43.108 -6.492 -19.467 1.00 0.00 C ATOM 1428 CD ARG A 92 -42.891 -5.724 -20.772 1.00 0.00 C ATOM 1429 NE ARG A 92 -43.012 -4.261 -20.514 1.00 0.00 N ATOM 1430 CZ ARG A 92 -42.734 -3.407 -21.461 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -41.599 -2.765 -21.447 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -43.592 -3.197 -22.423 1.00 0.00 N ATOM 0 H ARG A 92 -42.045 -10.344 -19.404 1.00 0.00 H new ATOM 0 HA ARG A 92 -42.528 -8.309 -17.552 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -41.661 -8.040 -19.898 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -43.266 -8.374 -20.519 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -44.150 -6.417 -19.157 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -42.507 -6.054 -18.670 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -41.907 -5.952 -21.181 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -43.625 -6.035 -21.516 1.00 0.00 H new ATOM 0 HE ARG A 92 -43.312 -3.927 -19.598 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -40.929 -2.930 -20.696 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -41.381 -2.098 -22.187 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -44.479 -3.700 -22.434 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -43.375 -2.530 -23.163 1.00 0.00 H new ATOM 1446 N GLN A 93 -45.260 -9.744 -18.527 1.00 0.00 N ATOM 1447 CA GLN A 93 -46.734 -9.765 -18.309 1.00 0.00 C ATOM 1448 C GLN A 93 -47.030 -9.958 -16.819 1.00 0.00 C ATOM 1449 O GLN A 93 -47.779 -9.210 -16.223 1.00 0.00 O ATOM 1450 CB GLN A 93 -47.351 -10.916 -19.106 1.00 0.00 C ATOM 1451 CG GLN A 93 -47.195 -10.640 -20.604 1.00 0.00 C ATOM 1452 CD GLN A 93 -47.816 -11.789 -21.401 1.00 0.00 C ATOM 1453 OE1 GLN A 93 -48.074 -12.847 -20.863 1.00 0.00 O ATOM 1454 NE2 GLN A 93 -48.070 -11.623 -22.670 1.00 0.00 N ATOM 0 H GLN A 93 -44.877 -10.574 -18.979 1.00 0.00 H new ATOM 0 HA GLN A 93 -47.163 -8.820 -18.643 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -46.863 -11.855 -18.846 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -48.406 -11.024 -18.853 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -47.680 -9.699 -20.864 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -46.140 -10.536 -20.858 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -47.853 -10.734 -23.122 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -48.485 -12.382 -23.210 1.00 0.00 H new ATOM 1463 N MET A 94 -46.451 -10.960 -16.215 1.00 0.00 N ATOM 1464 CA MET A 94 -46.703 -11.203 -14.766 1.00 0.00 C ATOM 1465 C MET A 94 -46.304 -9.966 -13.958 1.00 0.00 C ATOM 1466 O MET A 94 -47.126 -9.340 -13.320 1.00 0.00 O ATOM 1467 CB MET A 94 -45.875 -12.402 -14.300 1.00 0.00 C ATOM 1468 CG MET A 94 -46.703 -13.683 -14.440 1.00 0.00 C ATOM 1469 SD MET A 94 -48.180 -13.564 -13.401 1.00 0.00 S ATOM 1470 CE MET A 94 -47.338 -13.555 -11.799 1.00 0.00 C ATOM 0 H MET A 94 -45.815 -11.620 -16.662 1.00 0.00 H new ATOM 0 HA MET A 94 -47.763 -11.408 -14.614 1.00 0.00 H new ATOM 0 HB2 MET A 94 -44.963 -12.480 -14.892 1.00 0.00 H new ATOM 0 HB3 MET A 94 -45.570 -12.265 -13.262 1.00 0.00 H new ATOM 0 HG2 MET A 94 -46.989 -13.832 -15.481 1.00 0.00 H new ATOM 0 HG3 MET A 94 -46.108 -14.547 -14.146 1.00 0.00 H new ATOM 0 HE1 MET A 94 -48.077 -13.593 -10.999 1.00 0.00 H new ATOM 0 HE2 MET A 94 -46.681 -14.422 -11.728 1.00 0.00 H new ATOM 0 HE3 MET A 94 -46.747 -12.644 -11.704 1.00 0.00 H new ATOM 1480 N VAL A 95 -45.044 -9.618 -13.976 1.00 0.00 N ATOM 1481 CA VAL A 95 -44.579 -8.427 -13.205 1.00 0.00 C ATOM 1482 C VAL A 95 -45.653 -7.338 -13.222 1.00 0.00 C ATOM 1483 O VAL A 95 -45.964 -6.742 -12.210 1.00 0.00 O ATOM 1484 CB VAL A 95 -43.296 -7.882 -13.838 1.00 0.00 C ATOM 1485 CG1 VAL A 95 -42.777 -6.706 -13.010 1.00 0.00 C ATOM 1486 CG2 VAL A 95 -42.237 -8.985 -13.876 1.00 0.00 C ATOM 0 H VAL A 95 -44.315 -10.109 -14.493 1.00 0.00 H new ATOM 0 HA VAL A 95 -44.387 -8.723 -12.174 1.00 0.00 H new ATOM 0 HB VAL A 95 -43.507 -7.546 -14.853 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -41.864 -6.318 -13.461 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -43.531 -5.919 -12.983 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -42.566 -7.041 -11.994 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -41.324 -8.597 -14.327 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -42.026 -9.322 -12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -42.606 -9.823 -14.467 1.00 0.00 H new ATOM 1496 N GLN A 96 -46.220 -7.072 -14.364 1.00 0.00 N ATOM 1497 CA GLN A 96 -47.270 -6.020 -14.447 1.00 0.00 C ATOM 1498 C GLN A 96 -48.605 -6.584 -13.958 1.00 0.00 C ATOM 1499 O GLN A 96 -48.996 -6.386 -12.825 1.00 0.00 O ATOM 1500 CB GLN A 96 -47.415 -5.557 -15.899 1.00 0.00 C ATOM 1501 CG GLN A 96 -46.261 -4.615 -16.251 1.00 0.00 C ATOM 1502 CD GLN A 96 -46.520 -3.980 -17.618 1.00 0.00 C ATOM 1503 OE1 GLN A 96 -47.424 -4.380 -18.326 1.00 0.00 O ATOM 1504 NE2 GLN A 96 -45.761 -2.999 -18.023 1.00 0.00 N ATOM 0 H GLN A 96 -46.002 -7.538 -15.245 1.00 0.00 H new ATOM 0 HA GLN A 96 -46.983 -5.175 -13.821 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.414 -6.417 -16.568 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -48.369 -5.048 -16.036 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -46.165 -3.840 -15.490 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -45.320 -5.165 -16.266 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -45.002 -2.663 -17.430 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -45.926 -2.568 -18.933 1.00 0.00 H new ATOM 1513 N GLN A 97 -49.304 -7.284 -14.805 1.00 0.00 N ATOM 1514 CA GLN A 97 -50.617 -7.861 -14.396 1.00 0.00 C ATOM 1515 C GLN A 97 -50.512 -8.416 -12.974 1.00 0.00 C ATOM 1516 O GLN A 97 -51.345 -8.149 -12.131 1.00 0.00 O ATOM 1517 CB GLN A 97 -50.997 -8.989 -15.357 1.00 0.00 C ATOM 1518 CG GLN A 97 -51.183 -8.418 -16.763 1.00 0.00 C ATOM 1519 CD GLN A 97 -51.410 -9.563 -17.753 1.00 0.00 C ATOM 1520 OE1 GLN A 97 -51.288 -10.719 -17.401 1.00 0.00 O ATOM 1521 NE2 GLN A 97 -51.739 -9.286 -18.985 1.00 0.00 N ATOM 0 H GLN A 97 -49.024 -7.483 -15.765 1.00 0.00 H new ATOM 0 HA GLN A 97 -51.381 -7.084 -14.425 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -50.220 -9.754 -15.363 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -51.916 -9.471 -15.024 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -52.032 -7.735 -16.780 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -50.304 -7.842 -17.052 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -51.841 -8.315 -19.280 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -51.894 -10.041 -19.653 1.00 0.00 H new ATOM 1530 N PHE A 98 -49.497 -9.189 -12.701 1.00 0.00 N ATOM 1531 CA PHE A 98 -49.348 -9.758 -11.333 1.00 0.00 C ATOM 1532 C PHE A 98 -49.216 -8.621 -10.322 1.00 0.00 C ATOM 1533 O PHE A 98 -49.812 -8.647 -9.265 1.00 0.00 O ATOM 1534 CB PHE A 98 -48.102 -10.645 -11.268 1.00 0.00 C ATOM 1535 CG PHE A 98 -48.061 -11.362 -9.937 1.00 0.00 C ATOM 1536 CD1 PHE A 98 -49.252 -11.750 -9.309 1.00 0.00 C ATOM 1537 CD2 PHE A 98 -46.828 -11.639 -9.331 1.00 0.00 C ATOM 1538 CE1 PHE A 98 -49.209 -12.414 -8.077 1.00 0.00 C ATOM 1539 CE2 PHE A 98 -46.788 -12.304 -8.100 1.00 0.00 C ATOM 1540 CZ PHE A 98 -47.978 -12.690 -7.473 1.00 0.00 C ATOM 0 H PHE A 98 -48.767 -9.450 -13.364 1.00 0.00 H new ATOM 0 HA PHE A 98 -50.227 -10.359 -11.098 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -48.115 -11.369 -12.083 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -47.205 -10.039 -11.394 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -50.203 -11.537 -9.775 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -45.909 -11.340 -9.814 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -50.127 -12.713 -7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -45.838 -12.519 -7.634 1.00 0.00 H new ATOM 0 HZ PHE A 98 -47.946 -13.201 -6.522 1.00 0.00 H new ATOM 1550 N LYS A 99 -48.443 -7.622 -10.637 1.00 0.00 N ATOM 1551 CA LYS A 99 -48.281 -6.487 -9.688 1.00 0.00 C ATOM 1552 C LYS A 99 -49.615 -5.757 -9.543 1.00 0.00 C ATOM 1553 O LYS A 99 -50.015 -5.382 -8.459 1.00 0.00 O ATOM 1554 CB LYS A 99 -47.218 -5.522 -10.214 1.00 0.00 C ATOM 1555 CG LYS A 99 -47.109 -4.320 -9.273 1.00 0.00 C ATOM 1556 CD LYS A 99 -46.077 -3.334 -9.823 1.00 0.00 C ATOM 1557 CE LYS A 99 -45.759 -2.281 -8.760 1.00 0.00 C ATOM 1558 NZ LYS A 99 -44.507 -2.659 -8.046 1.00 0.00 N ATOM 0 H LYS A 99 -47.918 -7.542 -11.508 1.00 0.00 H new ATOM 0 HA LYS A 99 -47.966 -6.867 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -46.256 -6.029 -10.287 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -47.479 -5.189 -11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -48.079 -3.832 -9.176 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -46.817 -4.650 -8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -45.168 -3.864 -10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -46.461 -2.853 -10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -45.644 -1.302 -9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -46.584 -2.202 -8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -44.290 -1.944 -7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -44.634 -3.585 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -43.722 -2.713 -8.726 1.00 0.00 H new ATOM 1572 N ARG A 100 -50.311 -5.560 -10.625 1.00 0.00 N ATOM 1573 CA ARG A 100 -51.624 -4.863 -10.544 1.00 0.00 C ATOM 1574 C ARG A 100 -52.619 -5.770 -9.821 1.00 0.00 C ATOM 1575 O ARG A 100 -53.343 -5.341 -8.946 1.00 0.00 O ATOM 1576 CB ARG A 100 -52.135 -4.557 -11.955 1.00 0.00 C ATOM 1577 CG ARG A 100 -53.459 -3.795 -11.863 1.00 0.00 C ATOM 1578 CD ARG A 100 -53.855 -3.293 -13.253 1.00 0.00 C ATOM 1579 NE ARG A 100 -54.226 -4.452 -14.113 1.00 0.00 N ATOM 1580 CZ ARG A 100 -55.265 -5.183 -13.812 1.00 0.00 C ATOM 1581 NH1 ARG A 100 -56.232 -4.678 -13.095 1.00 0.00 N ATOM 1582 NH2 ARG A 100 -55.336 -6.418 -14.226 1.00 0.00 N ATOM 0 H ARG A 100 -50.029 -5.851 -11.561 1.00 0.00 H new ATOM 0 HA ARG A 100 -51.512 -3.926 -9.998 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -51.399 -3.965 -12.500 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -52.274 -5.484 -12.512 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -54.238 -4.444 -11.463 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -53.361 -2.955 -11.175 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -54.693 -2.601 -13.176 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -53.028 -2.743 -13.702 1.00 0.00 H new ATOM 0 HE ARG A 100 -53.668 -4.674 -14.937 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -56.176 -3.713 -12.770 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -57.044 -5.249 -12.860 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -54.580 -6.813 -14.785 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -56.148 -6.989 -13.991 1.00 0.00 H new ATOM 1596 N GLU A 101 -52.648 -7.027 -10.170 1.00 0.00 N ATOM 1597 CA GLU A 101 -53.584 -7.960 -9.489 1.00 0.00 C ATOM 1598 C GLU A 101 -53.082 -8.203 -8.067 1.00 0.00 C ATOM 1599 O GLU A 101 -53.843 -8.221 -7.121 1.00 0.00 O ATOM 1600 CB GLU A 101 -53.634 -9.287 -10.250 1.00 0.00 C ATOM 1601 CG GLU A 101 -54.742 -10.168 -9.668 1.00 0.00 C ATOM 1602 CD GLU A 101 -56.105 -9.625 -10.104 1.00 0.00 C ATOM 1603 OE1 GLU A 101 -56.152 -8.929 -11.105 1.00 0.00 O ATOM 1604 OE2 GLU A 101 -57.080 -9.914 -9.428 1.00 0.00 O ATOM 0 H GLU A 101 -52.065 -7.446 -10.895 1.00 0.00 H new ATOM 0 HA GLU A 101 -54.585 -7.529 -9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -53.818 -9.105 -11.309 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -52.673 -9.797 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -54.622 -11.196 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -54.676 -10.184 -8.580 1.00 0.00 H new ATOM 1611 N LEU A 102 -51.798 -8.388 -7.911 1.00 0.00 N ATOM 1612 CA LEU A 102 -51.243 -8.626 -6.552 1.00 0.00 C ATOM 1613 C LEU A 102 -51.526 -7.408 -5.674 1.00 0.00 C ATOM 1614 O LEU A 102 -51.617 -7.512 -4.466 1.00 0.00 O ATOM 1615 CB LEU A 102 -49.734 -8.852 -6.643 1.00 0.00 C ATOM 1616 CG LEU A 102 -49.235 -9.470 -5.337 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -50.036 -10.738 -5.036 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -47.753 -9.824 -5.476 1.00 0.00 C ATOM 0 H LEU A 102 -51.113 -8.384 -8.666 1.00 0.00 H new ATOM 0 HA LEU A 102 -51.711 -9.509 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -49.503 -9.510 -7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -49.224 -7.907 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 102 -49.364 -8.757 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -49.681 -11.180 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -51.092 -10.487 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -49.906 -11.452 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -47.395 -10.265 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -47.624 -10.538 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -47.182 -8.921 -5.693 1.00 0.00 H new ATOM 1630 N MET A 103 -51.670 -6.254 -6.267 1.00 0.00 N ATOM 1631 CA MET A 103 -51.953 -5.037 -5.460 1.00 0.00 C ATOM 1632 C MET A 103 -53.410 -5.071 -4.995 1.00 0.00 C ATOM 1633 O MET A 103 -53.776 -4.454 -4.016 1.00 0.00 O ATOM 1634 CB MET A 103 -51.716 -3.789 -6.313 1.00 0.00 C ATOM 1635 CG MET A 103 -50.226 -3.444 -6.309 1.00 0.00 C ATOM 1636 SD MET A 103 -49.755 -2.820 -4.676 1.00 0.00 S ATOM 1637 CE MET A 103 -50.881 -1.404 -4.640 1.00 0.00 C ATOM 0 H MET A 103 -51.604 -6.103 -7.274 1.00 0.00 H new ATOM 0 HA MET A 103 -51.292 -5.010 -4.594 1.00 0.00 H new ATOM 0 HB2 MET A 103 -52.057 -3.963 -7.334 1.00 0.00 H new ATOM 0 HB3 MET A 103 -52.295 -2.953 -5.921 1.00 0.00 H new ATOM 0 HG2 MET A 103 -49.637 -4.327 -6.556 1.00 0.00 H new ATOM 0 HG3 MET A 103 -50.013 -2.695 -7.072 1.00 0.00 H new ATOM 0 HE1 MET A 103 -50.434 -0.598 -4.057 1.00 0.00 H new ATOM 0 HE2 MET A 103 -51.063 -1.058 -5.657 1.00 0.00 H new ATOM 0 HE3 MET A 103 -51.825 -1.701 -4.183 1.00 0.00 H new ATOM 1647 N SER A 104 -54.245 -5.792 -5.693 1.00 0.00 N ATOM 1648 CA SER A 104 -55.678 -5.870 -5.293 1.00 0.00 C ATOM 1649 C SER A 104 -55.843 -6.903 -4.175 1.00 0.00 C ATOM 1650 O SER A 104 -56.679 -6.761 -3.306 1.00 0.00 O ATOM 1651 CB SER A 104 -56.522 -6.287 -6.500 1.00 0.00 C ATOM 1652 OG SER A 104 -56.116 -7.576 -6.939 1.00 0.00 O ATOM 0 H SER A 104 -53.996 -6.330 -6.523 1.00 0.00 H new ATOM 0 HA SER A 104 -56.008 -4.894 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 104 -57.578 -6.298 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 104 -56.405 -5.563 -7.306 1.00 0.00 H new ATOM 0 HG SER A 104 -55.234 -7.515 -7.362 1.00 0.00 H new ATOM 1658 N LEU A 105 -55.054 -7.944 -4.191 1.00 0.00 N ATOM 1659 CA LEU A 105 -55.172 -8.986 -3.132 1.00 0.00 C ATOM 1660 C LEU A 105 -55.147 -8.332 -1.749 1.00 0.00 C ATOM 1661 O LEU A 105 -55.989 -8.606 -0.916 1.00 0.00 O ATOM 1662 CB LEU A 105 -54.012 -9.973 -3.253 1.00 0.00 C ATOM 1663 CG LEU A 105 -54.466 -11.193 -4.058 1.00 0.00 C ATOM 1664 CD1 LEU A 105 -53.345 -11.626 -5.001 1.00 0.00 C ATOM 1665 CD2 LEU A 105 -54.803 -12.340 -3.103 1.00 0.00 C ATOM 0 H LEU A 105 -54.333 -8.117 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 105 -56.116 -9.517 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -53.163 -9.496 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -53.677 -10.281 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 105 -55.351 -10.935 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -53.667 -12.495 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -53.107 -10.809 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -52.460 -11.883 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -55.126 -13.208 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -53.920 -12.599 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -55.604 -12.031 -2.431 1.00 0.00 H new ATOM 1677 N PRO A 106 -54.168 -7.448 -1.497 1.00 0.00 N ATOM 1678 CA PRO A 106 -54.050 -6.757 -0.207 1.00 0.00 C ATOM 1679 C PRO A 106 -55.213 -5.789 0.015 1.00 0.00 C ATOM 1680 O PRO A 106 -55.338 -5.179 1.057 1.00 0.00 O ATOM 1681 CB PRO A 106 -52.731 -5.994 -0.327 1.00 0.00 C ATOM 1682 CG PRO A 106 -52.539 -5.813 -1.794 1.00 0.00 C ATOM 1683 CD PRO A 106 -53.107 -7.046 -2.437 1.00 0.00 C ATOM 0 HA PRO A 106 -54.073 -7.445 0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -52.779 -5.035 0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -51.907 -6.553 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -53.050 -4.917 -2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -51.483 -5.696 -2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -53.505 -6.837 -3.430 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -52.353 -7.825 -2.553 1.00 0.00 H new ATOM 1691 N GLN A 107 -56.071 -5.657 -0.958 1.00 0.00 N ATOM 1692 CA GLN A 107 -57.235 -4.744 -0.809 1.00 0.00 C ATOM 1693 C GLN A 107 -58.477 -5.573 -0.486 1.00 0.00 C ATOM 1694 O GLN A 107 -59.238 -5.252 0.405 1.00 0.00 O ATOM 1695 CB GLN A 107 -57.457 -3.977 -2.114 1.00 0.00 C ATOM 1696 CG GLN A 107 -56.322 -2.972 -2.316 1.00 0.00 C ATOM 1697 CD GLN A 107 -56.535 -2.220 -3.631 1.00 0.00 C ATOM 1698 OE1 GLN A 107 -57.359 -2.604 -4.437 1.00 0.00 O ATOM 1699 NE2 GLN A 107 -55.823 -1.155 -3.884 1.00 0.00 N ATOM 0 H GLN A 107 -56.015 -6.144 -1.852 1.00 0.00 H new ATOM 0 HA GLN A 107 -57.045 -4.033 -0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -57.496 -4.671 -2.954 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -58.415 -3.458 -2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -56.292 -2.269 -1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -55.363 -3.489 -2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -55.131 -0.832 -3.208 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -55.959 -0.646 -4.758 1.00 0.00 H new ATOM 1708 N GLN A 108 -58.685 -6.640 -1.206 1.00 0.00 N ATOM 1709 CA GLN A 108 -59.877 -7.497 -0.947 1.00 0.00 C ATOM 1710 C GLN A 108 -59.914 -7.881 0.533 1.00 0.00 C ATOM 1711 O GLN A 108 -60.962 -8.144 1.090 1.00 0.00 O ATOM 1712 CB GLN A 108 -59.787 -8.764 -1.798 1.00 0.00 C ATOM 1713 CG GLN A 108 -59.934 -8.400 -3.277 1.00 0.00 C ATOM 1714 CD GLN A 108 -59.782 -9.661 -4.130 1.00 0.00 C ATOM 1715 OE1 GLN A 108 -59.200 -10.635 -3.696 1.00 0.00 O ATOM 1716 NE2 GLN A 108 -60.285 -9.685 -5.333 1.00 0.00 N ATOM 0 H GLN A 108 -58.080 -6.957 -1.964 1.00 0.00 H new ATOM 0 HA GLN A 108 -60.783 -6.949 -1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -58.832 -9.261 -1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -60.568 -9.466 -1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -60.907 -7.943 -3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -59.180 -7.665 -3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -60.774 -8.867 -5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -60.190 -10.521 -5.909 1.00 0.00 H new ATOM 1725 N CYS A 109 -58.779 -7.917 1.177 1.00 0.00 N ATOM 1726 CA CYS A 109 -58.753 -8.286 2.619 1.00 0.00 C ATOM 1727 C CYS A 109 -58.378 -7.060 3.455 1.00 0.00 C ATOM 1728 O CYS A 109 -58.478 -7.067 4.665 1.00 0.00 O ATOM 1729 CB CYS A 109 -57.718 -9.391 2.844 1.00 0.00 C ATOM 1730 SG CYS A 109 -57.723 -10.523 1.431 1.00 0.00 S ATOM 0 H CYS A 109 -57.869 -7.707 0.766 1.00 0.00 H new ATOM 0 HA CYS A 109 -59.738 -8.642 2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -56.727 -8.955 2.970 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -57.946 -9.936 3.760 1.00 0.00 H new ATOM 1735 N ASN A 110 -57.947 -6.006 2.817 1.00 0.00 N ATOM 1736 CA ASN A 110 -57.566 -4.781 3.576 1.00 0.00 C ATOM 1737 C ASN A 110 -56.391 -5.101 4.502 1.00 0.00 C ATOM 1738 O ASN A 110 -56.398 -4.761 5.669 1.00 0.00 O ATOM 1739 CB ASN A 110 -58.758 -4.306 4.409 1.00 0.00 C ATOM 1740 CG ASN A 110 -59.957 -4.061 3.490 1.00 0.00 C ATOM 1741 OD1 ASN A 110 -61.073 -4.411 3.820 1.00 0.00 O ATOM 1742 ND2 ASN A 110 -59.771 -3.471 2.341 1.00 0.00 N ATOM 0 H ASN A 110 -57.842 -5.940 1.805 1.00 0.00 H new ATOM 0 HA ASN A 110 -57.275 -3.996 2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -59.010 -5.053 5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -58.501 -3.390 4.942 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -60.562 -3.303 1.720 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -58.834 -3.177 2.064 1.00 0.00 H new