USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= -6.53! C(o=-6.7!,f=-20!) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= -0.137 USER MOD Set 2.1: A 19 THR OG1 : rot 51:sc= -5.89! USER MOD Set 2.2: A 60 THR OG1 : rot -159:sc= 0.00972 USER MOD Single : A 17 HIS : no HD1:sc= -0.704 K(o=-0.7,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -1.76! K(o=-1.8!,f=-0.66) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= -3.36! (180deg=-3.6!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.539 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= -1.37! (180deg=-2.63!) USER MOD Single : A 47 HIS : no HD1:sc= -0.615 X(o=-0.62,f=-0.12) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00178 X(o=-0.0018,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00218 X(o=-0.0022,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.59! C(o=-2.6!,f=-13!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.555 X(o=-0.56,f=-0.27) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0194) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 80 HIS : no HE2:sc= -1.04! C(o=-1!,f=-7.8!) USER MOD Single : A 81 HIS : no HD1:sc=-0.00285 X(o=-0.0029,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.24) USER MOD Single : A 95 GLN : amide:sc= -2.67! C(o=-2.7!,f=-3.5!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 4.350 -6.883 2.673 1.00 0.00 N ATOM 206 CA HIS A 17 5.267 -6.196 3.566 1.00 0.00 C ATOM 207 C HIS A 17 4.737 -4.793 3.867 1.00 0.00 C ATOM 208 O HIS A 17 4.644 -3.956 2.972 1.00 0.00 O ATOM 209 CB HIS A 17 6.683 -6.184 2.986 1.00 0.00 C ATOM 210 CG HIS A 17 6.731 -6.001 1.488 1.00 0.00 C ATOM 211 ND1 HIS A 17 6.937 -7.051 0.611 1.00 0.00 N ATOM 212 CD2 HIS A 17 6.597 -4.880 0.722 1.00 0.00 C ATOM 213 CE1 HIS A 17 6.926 -6.572 -0.625 1.00 0.00 C ATOM 214 NE2 HIS A 17 6.716 -5.226 -0.553 1.00 0.00 N ATOM 0 HA HIS A 17 5.329 -6.733 4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.251 -5.383 3.458 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.178 -7.120 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.423 -3.880 1.091 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.060 -7.146 -1.530 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.660 -4.590 -1.349 1.00 0.00 H new ATOM 222 N VAL A 18 4.404 -4.580 5.132 1.00 0.00 N ATOM 223 CA VAL A 18 3.886 -3.293 5.562 1.00 0.00 C ATOM 224 C VAL A 18 5.027 -2.275 5.601 1.00 0.00 C ATOM 225 O VAL A 18 6.176 -2.635 5.854 1.00 0.00 O ATOM 226 CB VAL A 18 3.170 -3.440 6.907 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.951 -2.075 7.563 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.847 -4.190 6.745 1.00 0.00 C ATOM 0 H VAL A 18 4.483 -5.277 5.872 1.00 0.00 H new ATOM 0 HA VAL A 18 3.145 -2.924 4.853 1.00 0.00 H new ATOM 0 HB VAL A 18 3.809 -4.029 7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.441 -2.207 8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.914 -1.593 7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.342 -1.451 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.359 -4.281 7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.199 -3.641 6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.039 -5.184 6.341 1.00 0.00 H new ATOM 238 N THR A 19 4.672 -1.024 5.345 1.00 0.00 N ATOM 239 CA THR A 19 5.652 0.048 5.347 1.00 0.00 C ATOM 240 C THR A 19 5.129 1.248 6.139 1.00 0.00 C ATOM 241 O THR A 19 4.297 2.007 5.645 1.00 0.00 O ATOM 242 CB THR A 19 5.991 0.381 3.893 1.00 0.00 C ATOM 243 OG1 THR A 19 7.050 -0.516 3.569 1.00 0.00 O ATOM 244 CG2 THR A 19 6.619 1.768 3.741 1.00 0.00 C ATOM 0 H THR A 19 3.718 -0.729 5.135 1.00 0.00 H new ATOM 0 HA THR A 19 6.570 -0.257 5.849 1.00 0.00 H new ATOM 0 HB THR A 19 5.086 0.323 3.287 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.790 -1.430 3.810 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.840 1.954 2.690 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.923 2.524 4.105 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.541 1.815 4.320 1.00 0.00 H new ATOM 252 N ILE A 20 5.638 1.381 7.355 1.00 0.00 N ATOM 253 CA ILE A 20 5.232 2.475 8.220 1.00 0.00 C ATOM 254 C ILE A 20 6.073 3.712 7.899 1.00 0.00 C ATOM 255 O ILE A 20 7.267 3.750 8.195 1.00 0.00 O ATOM 256 CB ILE A 20 5.299 2.051 9.689 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.418 0.826 9.946 1.00 0.00 C ATOM 258 CG2 ILE A 20 4.943 3.216 10.614 1.00 0.00 C ATOM 259 CD1 ILE A 20 2.935 1.202 9.927 1.00 0.00 C ATOM 0 H ILE A 20 6.328 0.749 7.761 1.00 0.00 H new ATOM 0 HA ILE A 20 4.191 2.739 8.036 1.00 0.00 H new ATOM 0 HB ILE A 20 6.326 1.764 9.915 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.614 0.067 9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.673 0.386 10.910 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.999 2.887 11.652 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.645 4.035 10.455 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.931 3.558 10.396 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.332 0.313 10.112 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.737 1.943 10.702 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.678 1.619 8.953 1.00 0.00 H new ATOM 271 N LEU A 21 5.418 4.695 7.299 1.00 0.00 N ATOM 272 CA LEU A 21 6.091 5.930 6.934 1.00 0.00 C ATOM 273 C LEU A 21 5.856 6.975 8.027 1.00 0.00 C ATOM 274 O LEU A 21 4.714 7.261 8.382 1.00 0.00 O ATOM 275 CB LEU A 21 5.653 6.388 5.542 1.00 0.00 C ATOM 276 CG LEU A 21 6.726 6.340 4.452 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.614 5.105 4.611 1.00 0.00 C ATOM 278 CD2 LEU A 21 6.096 6.418 3.059 1.00 0.00 C ATOM 0 H LEU A 21 4.428 4.661 7.056 1.00 0.00 H new ATOM 0 HA LEU A 21 7.168 5.772 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.813 5.769 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.285 7.411 5.617 1.00 0.00 H new ATOM 0 HG LEU A 21 7.367 7.214 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.368 5.095 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.105 5.133 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.003 4.206 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.880 6.382 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.418 5.576 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.541 7.351 2.962 1.00 0.00 H new ATOM 290 N HIS A 22 6.956 7.515 8.530 1.00 0.00 N ATOM 291 CA HIS A 22 6.885 8.522 9.575 1.00 0.00 C ATOM 292 C HIS A 22 7.198 9.898 8.985 1.00 0.00 C ATOM 293 O HIS A 22 8.335 10.170 8.602 1.00 0.00 O ATOM 294 CB HIS A 22 7.801 8.157 10.745 1.00 0.00 C ATOM 295 CG HIS A 22 7.917 6.672 10.994 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.152 6.008 11.937 1.00 0.00 N ATOM 297 CD2 HIS A 22 8.714 5.730 10.413 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.483 4.726 11.917 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.452 4.555 10.972 1.00 0.00 N ATOM 0 H HIS A 22 7.902 7.274 8.233 1.00 0.00 H new ATOM 0 HA HIS A 22 5.873 8.560 9.979 1.00 0.00 H new ATOM 0 HB2 HIS A 22 8.795 8.562 10.555 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.428 8.639 11.649 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.436 5.910 9.630 1.00 0.00 H new ATOM 0 HE1 HIS A 22 7.060 3.952 12.540 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.901 3.670 10.734 1.00 0.00 H new ATOM 307 N LYS A 23 6.169 10.731 8.929 1.00 0.00 N ATOM 308 CA LYS A 23 6.320 12.072 8.391 1.00 0.00 C ATOM 309 C LYS A 23 5.647 13.073 9.333 1.00 0.00 C ATOM 310 O LYS A 23 5.056 12.684 10.339 1.00 0.00 O ATOM 311 CB LYS A 23 5.799 12.135 6.954 1.00 0.00 C ATOM 312 CG LYS A 23 4.271 12.205 6.927 1.00 0.00 C ATOM 313 CD LYS A 23 3.691 11.155 5.977 1.00 0.00 C ATOM 314 CE LYS A 23 2.186 11.355 5.791 1.00 0.00 C ATOM 315 NZ LYS A 23 1.571 11.849 7.044 1.00 0.00 N ATOM 0 H LYS A 23 5.227 10.503 9.248 1.00 0.00 H new ATOM 0 HA LYS A 23 7.374 12.344 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.215 13.007 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.136 11.257 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.878 12.048 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.954 13.200 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.192 11.218 5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.883 10.157 6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.004 12.066 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.721 10.414 5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.535 11.819 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.870 11.248 7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.876 12.828 7.218 1.00 0.00 H new ATOM 329 N GLU A 24 5.761 14.344 8.974 1.00 0.00 N ATOM 330 CA GLU A 24 5.171 15.403 9.774 1.00 0.00 C ATOM 331 C GLU A 24 3.815 15.813 9.196 1.00 0.00 C ATOM 332 O GLU A 24 3.456 15.401 8.094 1.00 0.00 O ATOM 333 CB GLU A 24 6.112 16.606 9.871 1.00 0.00 C ATOM 334 CG GLU A 24 7.297 16.303 10.790 1.00 0.00 C ATOM 335 CD GLU A 24 7.828 17.582 11.440 1.00 0.00 C ATOM 336 OE1 GLU A 24 7.291 17.940 12.511 1.00 0.00 O ATOM 337 OE2 GLU A 24 8.758 18.174 10.852 1.00 0.00 O ATOM 0 H GLU A 24 6.253 14.663 8.140 1.00 0.00 H new ATOM 0 HA GLU A 24 5.014 15.024 10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.476 16.869 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.566 17.470 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.991 15.598 11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.092 15.824 10.218 1.00 0.00 H new ATOM 344 N GLU A 25 3.099 16.619 9.966 1.00 0.00 N ATOM 345 CA GLU A 25 1.790 17.089 9.545 1.00 0.00 C ATOM 346 C GLU A 25 1.866 17.676 8.134 1.00 0.00 C ATOM 347 O GLU A 25 2.628 18.609 7.886 1.00 0.00 O ATOM 348 CB GLU A 25 1.230 18.112 10.535 1.00 0.00 C ATOM 349 CG GLU A 25 0.178 17.475 11.445 1.00 0.00 C ATOM 350 CD GLU A 25 -0.876 16.728 10.626 1.00 0.00 C ATOM 351 OE1 GLU A 25 -1.557 17.405 9.825 1.00 0.00 O ATOM 352 OE2 GLU A 25 -0.978 15.498 10.818 1.00 0.00 O ATOM 0 H GLU A 25 3.401 16.959 10.879 1.00 0.00 H new ATOM 0 HA GLU A 25 1.108 16.239 9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.040 18.520 11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.788 18.946 9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.661 16.786 12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.303 18.247 12.046 1.00 0.00 H new ATOM 359 N GLY A 26 1.066 17.104 7.246 1.00 0.00 N ATOM 360 CA GLY A 26 1.033 17.559 5.866 1.00 0.00 C ATOM 361 C GLY A 26 2.436 17.567 5.258 1.00 0.00 C ATOM 362 O GLY A 26 2.743 18.398 4.405 1.00 0.00 O ATOM 0 H GLY A 26 0.436 16.330 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.383 16.909 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.607 18.561 5.820 1.00 0.00 H new ATOM 366 N ALA A 27 3.252 16.631 5.720 1.00 0.00 N ATOM 367 CA ALA A 27 4.616 16.519 5.232 1.00 0.00 C ATOM 368 C ALA A 27 4.615 15.789 3.888 1.00 0.00 C ATOM 369 O ALA A 27 5.437 16.077 3.020 1.00 0.00 O ATOM 370 CB ALA A 27 5.477 15.811 6.280 1.00 0.00 C ATOM 0 H ALA A 27 2.995 15.943 6.427 1.00 0.00 H new ATOM 0 HA ALA A 27 5.047 17.507 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.500 15.727 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.469 16.386 7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.076 14.815 6.468 1.00 0.00 H new ATOM 376 N GLY A 28 3.681 14.858 3.758 1.00 0.00 N ATOM 377 CA GLY A 28 3.561 14.084 2.534 1.00 0.00 C ATOM 378 C GLY A 28 4.285 12.742 2.661 1.00 0.00 C ATOM 379 O GLY A 28 5.115 12.562 3.551 1.00 0.00 O ATOM 0 H GLY A 28 3.000 14.622 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.508 13.913 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.978 14.649 1.700 1.00 0.00 H new ATOM 383 N LEU A 29 3.944 11.834 1.758 1.00 0.00 N ATOM 384 CA LEU A 29 4.551 10.514 1.757 1.00 0.00 C ATOM 385 C LEU A 29 5.837 10.549 0.928 1.00 0.00 C ATOM 386 O LEU A 29 6.875 10.054 1.365 1.00 0.00 O ATOM 387 CB LEU A 29 3.545 9.462 1.288 1.00 0.00 C ATOM 388 CG LEU A 29 2.074 9.763 1.580 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.166 8.677 1.000 1.00 0.00 C ATOM 390 CD2 LEU A 29 1.843 9.962 3.080 1.00 0.00 C ATOM 0 H LEU A 29 3.255 11.987 1.022 1.00 0.00 H new ATOM 0 HA LEU A 29 4.832 10.223 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.662 9.331 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.800 8.511 1.755 1.00 0.00 H new ATOM 0 HG LEU A 29 1.812 10.699 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.126 8.916 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.304 8.626 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.420 7.715 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.789 10.175 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.127 9.056 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.448 10.797 3.434 1.00 0.00 H new ATOM 402 N GLY A 30 5.726 11.138 -0.253 1.00 0.00 N ATOM 403 CA GLY A 30 6.866 11.244 -1.147 1.00 0.00 C ATOM 404 C GLY A 30 6.568 10.588 -2.497 1.00 0.00 C ATOM 405 O GLY A 30 7.380 10.657 -3.418 1.00 0.00 O ATOM 0 H GLY A 30 4.863 11.547 -0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.119 12.294 -1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.735 10.769 -0.692 1.00 0.00 H new ATOM 409 N PHE A 31 5.399 9.967 -2.571 1.00 0.00 N ATOM 410 CA PHE A 31 4.984 9.300 -3.793 1.00 0.00 C ATOM 411 C PHE A 31 3.527 9.628 -4.129 1.00 0.00 C ATOM 412 O PHE A 31 2.811 10.199 -3.308 1.00 0.00 O ATOM 413 CB PHE A 31 5.111 7.795 -3.546 1.00 0.00 C ATOM 414 CG PHE A 31 3.995 7.210 -2.679 1.00 0.00 C ATOM 415 CD1 PHE A 31 3.996 7.423 -1.335 1.00 0.00 C ATOM 416 CD2 PHE A 31 3.002 6.478 -3.251 1.00 0.00 C ATOM 417 CE1 PHE A 31 2.960 6.880 -0.530 1.00 0.00 C ATOM 418 CE2 PHE A 31 1.966 5.935 -2.445 1.00 0.00 C ATOM 419 CZ PHE A 31 1.967 6.147 -1.102 1.00 0.00 C ATOM 0 H PHE A 31 4.727 9.912 -1.805 1.00 0.00 H new ATOM 0 HA PHE A 31 5.604 9.630 -4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.119 7.279 -4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.070 7.595 -3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.784 8.005 -0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.001 6.310 -4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.960 7.049 0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.177 5.354 -2.899 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.180 5.733 -0.489 1.00 0.00 H new ATOM 429 N SER A 32 3.133 9.253 -5.337 1.00 0.00 N ATOM 430 CA SER A 32 1.775 9.500 -5.791 1.00 0.00 C ATOM 431 C SER A 32 1.111 8.183 -6.197 1.00 0.00 C ATOM 432 O SER A 32 1.766 7.143 -6.248 1.00 0.00 O ATOM 433 CB SER A 32 1.756 10.486 -6.960 1.00 0.00 C ATOM 434 OG SER A 32 0.499 10.496 -7.631 1.00 0.00 O ATOM 0 H SER A 32 3.730 8.780 -6.015 1.00 0.00 H new ATOM 0 HA SER A 32 1.215 9.943 -4.968 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.979 11.488 -6.593 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.542 10.224 -7.668 1.00 0.00 H new ATOM 0 HG SER A 32 0.528 11.139 -8.370 1.00 0.00 H new ATOM 440 N LEU A 33 -0.182 8.269 -6.474 1.00 0.00 N ATOM 441 CA LEU A 33 -0.942 7.097 -6.874 1.00 0.00 C ATOM 442 C LEU A 33 -1.052 7.062 -8.400 1.00 0.00 C ATOM 443 O LEU A 33 -0.905 8.089 -9.060 1.00 0.00 O ATOM 444 CB LEU A 33 -2.294 7.066 -6.159 1.00 0.00 C ATOM 445 CG LEU A 33 -2.243 7.033 -4.630 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.385 6.188 -4.062 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.876 6.555 -4.137 1.00 0.00 C ATOM 0 H LEU A 33 -0.723 9.133 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.426 6.186 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.865 7.943 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.845 6.191 -6.503 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.380 8.050 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.326 6.181 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.340 6.613 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.304 5.168 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.867 6.541 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.684 5.551 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.102 7.232 -4.498 1.00 0.00 H new ATOM 459 N ALA A 34 -1.310 5.869 -8.915 1.00 0.00 N ATOM 460 CA ALA A 34 -1.442 5.687 -10.351 1.00 0.00 C ATOM 461 C ALA A 34 -2.619 4.752 -10.636 1.00 0.00 C ATOM 462 O ALA A 34 -2.954 3.901 -9.813 1.00 0.00 O ATOM 463 CB ALA A 34 -0.125 5.156 -10.921 1.00 0.00 C ATOM 0 H ALA A 34 -1.431 5.019 -8.364 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.650 6.638 -10.841 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.223 5.019 -11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.674 5.869 -10.717 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.114 4.200 -10.454 1.00 0.00 H new ATOM 469 N GLY A 35 -3.216 4.943 -11.803 1.00 0.00 N ATOM 470 CA GLY A 35 -4.349 4.128 -12.207 1.00 0.00 C ATOM 471 C GLY A 35 -5.519 4.297 -11.237 1.00 0.00 C ATOM 472 O GLY A 35 -5.522 5.212 -10.415 1.00 0.00 O ATOM 0 H GLY A 35 -2.936 5.651 -12.482 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.662 4.408 -13.213 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.052 3.080 -12.245 1.00 0.00 H new ATOM 476 N GLY A 36 -6.487 3.401 -11.365 1.00 0.00 N ATOM 477 CA GLY A 36 -7.661 3.439 -10.509 1.00 0.00 C ATOM 478 C GLY A 36 -8.372 2.084 -10.492 1.00 0.00 C ATOM 479 O GLY A 36 -7.725 1.039 -10.541 1.00 0.00 O ATOM 0 H GLY A 36 -6.482 2.644 -12.049 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.368 3.712 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.347 4.209 -10.861 1.00 0.00 H new ATOM 483 N ALA A 37 -9.693 2.147 -10.423 1.00 0.00 N ATOM 484 CA ALA A 37 -10.499 0.938 -10.399 1.00 0.00 C ATOM 485 C ALA A 37 -11.112 0.711 -11.782 1.00 0.00 C ATOM 486 O ALA A 37 -11.163 -0.419 -12.265 1.00 0.00 O ATOM 487 CB ALA A 37 -11.560 1.053 -9.303 1.00 0.00 C ATOM 0 H ALA A 37 -10.226 3.016 -10.383 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.882 0.070 -10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.164 0.146 -9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.072 1.183 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.200 1.912 -9.505 1.00 0.00 H new ATOM 493 N ASP A 38 -11.562 1.804 -12.381 1.00 0.00 N ATOM 494 CA ASP A 38 -12.170 1.738 -13.699 1.00 0.00 C ATOM 495 C ASP A 38 -11.099 1.991 -14.763 1.00 0.00 C ATOM 496 O ASP A 38 -11.375 1.907 -15.959 1.00 0.00 O ATOM 497 CB ASP A 38 -13.255 2.805 -13.859 1.00 0.00 C ATOM 498 CG ASP A 38 -14.291 2.515 -14.947 1.00 0.00 C ATOM 499 OD1 ASP A 38 -15.230 1.746 -14.646 1.00 0.00 O ATOM 500 OD2 ASP A 38 -14.121 3.069 -16.055 1.00 0.00 O ATOM 0 H ASP A 38 -11.518 2.740 -11.978 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.615 0.750 -13.816 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.773 2.921 -12.907 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.776 3.759 -14.079 1.00 0.00 H new ATOM 505 N LEU A 39 -9.900 2.295 -14.289 1.00 0.00 N ATOM 506 CA LEU A 39 -8.786 2.561 -15.184 1.00 0.00 C ATOM 507 C LEU A 39 -8.189 1.233 -15.655 1.00 0.00 C ATOM 508 O LEU A 39 -8.506 0.177 -15.109 1.00 0.00 O ATOM 509 CB LEU A 39 -7.771 3.489 -14.515 1.00 0.00 C ATOM 510 CG LEU A 39 -8.111 4.981 -14.536 1.00 0.00 C ATOM 511 CD1 LEU A 39 -9.283 5.289 -13.601 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.880 5.829 -14.210 1.00 0.00 C ATOM 0 H LEU A 39 -9.675 2.363 -13.296 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.129 3.091 -16.073 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.653 3.178 -13.477 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.805 3.350 -15.001 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.426 5.245 -15.546 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.504 6.356 -13.634 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.160 4.726 -13.920 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.020 5.005 -12.582 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.149 6.885 -14.232 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.511 5.569 -13.218 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.101 5.638 -14.948 1.00 0.00 H new ATOM 524 N GLU A 40 -7.334 1.330 -16.663 1.00 0.00 N ATOM 525 CA GLU A 40 -6.689 0.150 -17.213 1.00 0.00 C ATOM 526 C GLU A 40 -6.343 -0.836 -16.095 1.00 0.00 C ATOM 527 O GLU A 40 -6.433 -2.048 -16.282 1.00 0.00 O ATOM 528 CB GLU A 40 -5.443 0.530 -18.015 1.00 0.00 C ATOM 529 CG GLU A 40 -5.821 1.025 -19.413 1.00 0.00 C ATOM 530 CD GLU A 40 -5.664 -0.089 -20.450 1.00 0.00 C ATOM 531 OE1 GLU A 40 -4.563 -0.680 -20.486 1.00 0.00 O ATOM 532 OE2 GLU A 40 -6.649 -0.325 -21.183 1.00 0.00 O ATOM 0 H GLU A 40 -7.073 2.208 -17.113 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.386 -0.336 -17.896 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.889 1.307 -17.488 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.782 -0.333 -18.097 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.851 1.382 -19.410 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.191 1.872 -19.686 1.00 0.00 H new ATOM 539 N ASN A 41 -5.953 -0.278 -14.958 1.00 0.00 N ATOM 540 CA ASN A 41 -5.592 -1.093 -13.811 1.00 0.00 C ATOM 541 C ASN A 41 -6.703 -1.009 -12.762 1.00 0.00 C ATOM 542 O ASN A 41 -7.392 0.006 -12.661 1.00 0.00 O ATOM 543 CB ASN A 41 -4.296 -0.595 -13.168 1.00 0.00 C ATOM 544 CG ASN A 41 -4.531 0.706 -12.397 1.00 0.00 C ATOM 545 OD1 ASN A 41 -5.449 1.462 -12.669 1.00 0.00 O ATOM 546 ND2 ASN A 41 -3.651 0.925 -11.424 1.00 0.00 N ATOM 0 H ASN A 41 -5.879 0.728 -14.807 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.453 -2.118 -14.155 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.905 -1.356 -12.493 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.542 -0.434 -13.938 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.721 1.767 -10.853 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.906 0.251 -11.249 1.00 0.00 H new ATOM 553 N LYS A 42 -6.843 -2.088 -12.006 1.00 0.00 N ATOM 554 CA LYS A 42 -7.858 -2.149 -10.969 1.00 0.00 C ATOM 555 C LYS A 42 -7.226 -1.793 -9.622 1.00 0.00 C ATOM 556 O LYS A 42 -7.898 -1.261 -8.738 1.00 0.00 O ATOM 557 CB LYS A 42 -8.554 -3.512 -10.980 1.00 0.00 C ATOM 558 CG LYS A 42 -9.482 -3.663 -9.773 1.00 0.00 C ATOM 559 CD LYS A 42 -10.633 -2.658 -9.836 1.00 0.00 C ATOM 560 CE LYS A 42 -11.015 -2.172 -8.436 1.00 0.00 C ATOM 561 NZ LYS A 42 -12.443 -2.447 -8.164 1.00 0.00 N ATOM 0 H LYS A 42 -6.270 -2.927 -12.091 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.641 -1.415 -11.159 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.127 -3.624 -11.900 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.807 -4.306 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.881 -4.677 -9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.915 -3.515 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.344 -1.808 -10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.498 -3.120 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.394 -2.669 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.822 -1.103 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.587 -2.552 -7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.022 -1.658 -8.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.725 -3.325 -8.645 1.00 0.00 H new ATOM 575 N VAL A 43 -5.942 -2.099 -9.506 1.00 0.00 N ATOM 576 CA VAL A 43 -5.213 -1.817 -8.282 1.00 0.00 C ATOM 577 C VAL A 43 -4.350 -0.569 -8.483 1.00 0.00 C ATOM 578 O VAL A 43 -3.535 -0.515 -9.402 1.00 0.00 O ATOM 579 CB VAL A 43 -4.400 -3.044 -7.863 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.660 -3.399 -6.397 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.696 -4.235 -8.776 1.00 0.00 C ATOM 0 H VAL A 43 -5.388 -2.540 -10.240 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.904 -1.607 -7.466 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.343 -2.797 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.070 -4.274 -6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.376 -2.559 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.719 -3.617 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.106 -5.094 -8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.756 -4.482 -8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.438 -3.979 -9.803 1.00 0.00 H new ATOM 591 N ILE A 44 -4.560 0.403 -7.607 1.00 0.00 N ATOM 592 CA ILE A 44 -3.811 1.647 -7.677 1.00 0.00 C ATOM 593 C ILE A 44 -2.318 1.347 -7.539 1.00 0.00 C ATOM 594 O ILE A 44 -1.886 0.774 -6.540 1.00 0.00 O ATOM 595 CB ILE A 44 -4.336 2.646 -6.644 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.593 3.354 -7.155 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.245 3.638 -6.238 1.00 0.00 C ATOM 598 CD1 ILE A 44 -6.793 2.404 -7.158 1.00 0.00 C ATOM 0 H ILE A 44 -5.237 0.355 -6.846 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.952 2.123 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.619 2.094 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.810 4.218 -6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.419 3.729 -8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.644 4.337 -5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.404 3.097 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.908 4.188 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.674 2.931 -7.525 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.582 1.554 -7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.979 2.050 -6.144 1.00 0.00 H new ATOM 610 N THR A 45 -1.570 1.747 -8.557 1.00 0.00 N ATOM 611 CA THR A 45 -0.133 1.528 -8.561 1.00 0.00 C ATOM 612 C THR A 45 0.604 2.819 -8.198 1.00 0.00 C ATOM 613 O THR A 45 0.011 3.896 -8.191 1.00 0.00 O ATOM 614 CB THR A 45 0.256 0.972 -9.932 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.379 1.852 -10.857 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.383 -0.389 -10.215 1.00 0.00 C ATOM 0 H THR A 45 -1.932 2.221 -9.384 1.00 0.00 H new ATOM 0 HA THR A 45 0.159 0.800 -7.804 1.00 0.00 H new ATOM 0 HB THR A 45 1.341 0.884 -9.993 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.178 1.565 -11.772 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.074 -0.738 -11.200 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.062 -1.106 -9.459 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.469 -0.294 -10.187 1.00 0.00 H new ATOM 624 N VAL A 46 1.887 2.667 -7.904 1.00 0.00 N ATOM 625 CA VAL A 46 2.712 3.806 -7.540 1.00 0.00 C ATOM 626 C VAL A 46 3.135 4.550 -8.809 1.00 0.00 C ATOM 627 O VAL A 46 4.045 4.116 -9.513 1.00 0.00 O ATOM 628 CB VAL A 46 3.900 3.344 -6.694 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.703 4.539 -6.177 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.437 2.453 -5.540 1.00 0.00 C ATOM 0 H VAL A 46 2.375 1.772 -7.911 1.00 0.00 H new ATOM 0 HA VAL A 46 2.146 4.506 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 46 4.556 2.752 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.542 4.182 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.079 5.117 -7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.061 5.170 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.301 2.138 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.750 3.010 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.930 1.575 -5.939 1.00 0.00 H new ATOM 640 N HIS A 47 2.454 5.658 -9.061 1.00 0.00 N ATOM 641 CA HIS A 47 2.747 6.466 -10.232 1.00 0.00 C ATOM 642 C HIS A 47 4.240 6.798 -10.266 1.00 0.00 C ATOM 643 O HIS A 47 4.942 6.426 -11.206 1.00 0.00 O ATOM 644 CB HIS A 47 1.862 7.714 -10.268 1.00 0.00 C ATOM 645 CG HIS A 47 2.066 8.577 -11.490 1.00 0.00 C ATOM 646 ND1 HIS A 47 1.384 9.765 -11.691 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.881 8.414 -12.571 1.00 0.00 C ATOM 648 CE1 HIS A 47 1.779 10.284 -12.844 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.706 9.444 -13.388 1.00 0.00 N ATOM 0 H HIS A 47 1.700 6.015 -8.474 1.00 0.00 H new ATOM 0 HA HIS A 47 2.514 5.901 -11.135 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.817 7.407 -10.223 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.058 8.311 -9.377 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.555 7.586 -12.734 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.429 11.209 -13.277 1.00 0.00 H new ATOM 0 HE2 HIS A 47 3.186 9.585 -14.277 1.00 0.00 H new ATOM 657 N ARG A 48 4.683 7.494 -9.229 1.00 0.00 N ATOM 658 CA ARG A 48 6.080 7.880 -9.128 1.00 0.00 C ATOM 659 C ARG A 48 6.490 8.010 -7.660 1.00 0.00 C ATOM 660 O ARG A 48 5.641 8.193 -6.788 1.00 0.00 O ATOM 661 CB ARG A 48 6.338 9.208 -9.842 1.00 0.00 C ATOM 662 CG ARG A 48 7.173 8.998 -11.106 1.00 0.00 C ATOM 663 CD ARG A 48 6.298 9.064 -12.359 1.00 0.00 C ATOM 664 NE ARG A 48 7.145 9.241 -13.560 1.00 0.00 N ATOM 665 CZ ARG A 48 7.773 10.382 -13.875 1.00 0.00 C ATOM 666 NH1 ARG A 48 7.653 11.454 -13.080 1.00 0.00 N ATOM 667 NH2 ARG A 48 8.521 10.451 -14.984 1.00 0.00 N ATOM 0 H ARG A 48 4.099 7.801 -8.451 1.00 0.00 H new ATOM 0 HA ARG A 48 6.674 7.102 -9.607 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.388 9.675 -10.103 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.856 9.892 -9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.952 9.758 -11.162 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.674 8.031 -11.059 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.710 8.151 -12.450 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.592 9.891 -12.277 1.00 0.00 H new ATOM 0 HE ARG A 48 7.258 8.444 -14.187 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.084 11.401 -12.235 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.131 12.323 -13.320 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.613 9.635 -15.589 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.999 11.320 -15.224 1.00 0.00 H new ATOM 681 N VAL A 49 7.791 7.910 -7.430 1.00 0.00 N ATOM 682 CA VAL A 49 8.324 8.014 -6.082 1.00 0.00 C ATOM 683 C VAL A 49 9.407 9.094 -6.049 1.00 0.00 C ATOM 684 O VAL A 49 10.565 8.826 -6.364 1.00 0.00 O ATOM 685 CB VAL A 49 8.827 6.648 -5.611 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.167 6.673 -4.120 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.806 5.551 -5.922 1.00 0.00 C ATOM 0 H VAL A 49 8.492 7.758 -8.155 1.00 0.00 H new ATOM 0 HA VAL A 49 7.543 8.315 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 49 9.741 6.421 -6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.522 5.690 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.945 7.414 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.276 6.933 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.188 4.590 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.868 5.772 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.634 5.508 -6.998 1.00 0.00 H new ATOM 697 N PHE A 50 8.991 10.292 -5.664 1.00 0.00 N ATOM 698 CA PHE A 50 9.912 11.413 -5.586 1.00 0.00 C ATOM 699 C PHE A 50 11.290 10.959 -5.101 1.00 0.00 C ATOM 700 O PHE A 50 11.403 9.969 -4.380 1.00 0.00 O ATOM 701 CB PHE A 50 9.328 12.401 -4.573 1.00 0.00 C ATOM 702 CG PHE A 50 7.865 12.765 -4.831 1.00 0.00 C ATOM 703 CD1 PHE A 50 7.311 12.532 -6.051 1.00 0.00 C ATOM 704 CD2 PHE A 50 7.118 13.322 -3.840 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.953 12.871 -6.291 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.760 13.660 -4.080 1.00 0.00 C ATOM 707 CZ PHE A 50 5.206 13.427 -5.300 1.00 0.00 C ATOM 0 H PHE A 50 8.029 10.510 -5.403 1.00 0.00 H new ATOM 0 HA PHE A 50 10.034 11.863 -6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.415 11.975 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.926 13.312 -4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.904 12.089 -6.837 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.558 13.507 -2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.514 12.687 -7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.167 14.102 -3.293 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.173 13.684 -5.482 1.00 0.00 H new ATOM 717 N PRO A 51 12.330 11.724 -5.528 1.00 0.00 N ATOM 718 CA PRO A 51 13.697 11.410 -5.145 1.00 0.00 C ATOM 719 C PRO A 51 13.962 11.799 -3.690 1.00 0.00 C ATOM 720 O PRO A 51 14.812 11.205 -3.029 1.00 0.00 O ATOM 721 CB PRO A 51 14.566 12.171 -6.132 1.00 0.00 C ATOM 722 CG PRO A 51 13.673 13.245 -6.733 1.00 0.00 C ATOM 723 CD PRO A 51 12.234 12.904 -6.382 1.00 0.00 C ATOM 0 HA PRO A 51 13.911 10.342 -5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.428 12.614 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.952 11.507 -6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.939 14.227 -6.341 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.802 13.288 -7.814 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.747 13.730 -5.863 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.646 12.698 -7.277 1.00 0.00 H new ATOM 731 N ASN A 52 13.218 12.796 -3.233 1.00 0.00 N ATOM 732 CA ASN A 52 13.362 13.272 -1.867 1.00 0.00 C ATOM 733 C ASN A 52 12.051 13.046 -1.112 1.00 0.00 C ATOM 734 O ASN A 52 11.211 13.942 -1.037 1.00 0.00 O ATOM 735 CB ASN A 52 13.673 14.770 -1.836 1.00 0.00 C ATOM 736 CG ASN A 52 15.179 15.015 -1.722 1.00 0.00 C ATOM 737 OD1 ASN A 52 15.758 14.993 -0.648 1.00 0.00 O ATOM 738 ND2 ASN A 52 15.780 15.249 -2.885 1.00 0.00 N ATOM 0 H ASN A 52 12.514 13.287 -3.784 1.00 0.00 H new ATOM 0 HA ASN A 52 14.182 12.723 -1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.291 15.243 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.161 15.234 -0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.784 15.424 -2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.237 15.253 -3.748 1.00 0.00 H new ATOM 745 N GLY A 53 11.917 11.844 -0.571 1.00 0.00 N ATOM 746 CA GLY A 53 10.723 11.489 0.177 1.00 0.00 C ATOM 747 C GLY A 53 10.983 10.288 1.089 1.00 0.00 C ATOM 748 O GLY A 53 12.130 9.886 1.278 1.00 0.00 O ATOM 0 H GLY A 53 12.616 11.104 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.398 12.340 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.913 11.257 -0.514 1.00 0.00 H new ATOM 752 N LEU A 54 9.900 9.751 1.629 1.00 0.00 N ATOM 753 CA LEU A 54 9.997 8.604 2.517 1.00 0.00 C ATOM 754 C LEU A 54 9.786 7.321 1.710 1.00 0.00 C ATOM 755 O LEU A 54 10.535 6.357 1.864 1.00 0.00 O ATOM 756 CB LEU A 54 9.032 8.756 3.695 1.00 0.00 C ATOM 757 CG LEU A 54 9.111 10.078 4.461 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.714 10.650 4.712 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.905 9.913 5.758 1.00 0.00 C ATOM 0 H LEU A 54 8.951 10.088 1.469 1.00 0.00 H new ATOM 0 HA LEU A 54 10.993 8.545 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.015 8.635 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.215 7.941 4.396 1.00 0.00 H new ATOM 0 HG LEU A 54 9.648 10.799 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.798 11.590 5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.217 10.828 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.130 9.941 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.946 10.867 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.418 9.171 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.917 9.583 5.525 1.00 0.00 H new ATOM 771 N ALA A 55 8.764 7.350 0.868 1.00 0.00 N ATOM 772 CA ALA A 55 8.445 6.202 0.038 1.00 0.00 C ATOM 773 C ALA A 55 9.704 5.752 -0.707 1.00 0.00 C ATOM 774 O ALA A 55 9.858 4.571 -1.016 1.00 0.00 O ATOM 775 CB ALA A 55 7.302 6.560 -0.914 1.00 0.00 C ATOM 0 H ALA A 55 8.146 8.151 0.743 1.00 0.00 H new ATOM 0 HA ALA A 55 8.108 5.367 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.063 5.698 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.423 6.845 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.604 7.393 -1.549 1.00 0.00 H new ATOM 781 N SER A 56 10.572 6.717 -0.973 1.00 0.00 N ATOM 782 CA SER A 56 11.812 6.435 -1.676 1.00 0.00 C ATOM 783 C SER A 56 12.849 5.872 -0.702 1.00 0.00 C ATOM 784 O SER A 56 13.564 4.926 -1.029 1.00 0.00 O ATOM 785 CB SER A 56 12.355 7.690 -2.361 1.00 0.00 C ATOM 786 OG SER A 56 13.767 7.632 -2.542 1.00 0.00 O ATOM 0 H SER A 56 10.441 7.695 -0.714 1.00 0.00 H new ATOM 0 HA SER A 56 11.606 5.693 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.870 7.813 -3.330 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.102 8.567 -1.765 1.00 0.00 H new ATOM 0 HG SER A 56 14.074 8.451 -2.984 1.00 0.00 H new ATOM 792 N GLN A 57 12.897 6.477 0.476 1.00 0.00 N ATOM 793 CA GLN A 57 13.834 6.047 1.500 1.00 0.00 C ATOM 794 C GLN A 57 13.555 4.598 1.902 1.00 0.00 C ATOM 795 O GLN A 57 14.482 3.808 2.076 1.00 0.00 O ATOM 796 CB GLN A 57 13.780 6.974 2.717 1.00 0.00 C ATOM 797 CG GLN A 57 14.695 8.185 2.525 1.00 0.00 C ATOM 798 CD GLN A 57 15.444 8.515 3.818 1.00 0.00 C ATOM 799 OE1 GLN A 57 15.167 9.492 4.494 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.407 7.649 4.122 1.00 0.00 N ATOM 0 H GLN A 57 12.302 7.261 0.744 1.00 0.00 H new ATOM 0 HA GLN A 57 14.842 6.101 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.756 7.310 2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.079 6.425 3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.410 7.983 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.104 9.046 2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.587 6.851 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.965 7.782 4.965 1.00 0.00 H new ATOM 809 N GLU A 58 12.273 4.291 2.037 1.00 0.00 N ATOM 810 CA GLU A 58 11.860 2.951 2.414 1.00 0.00 C ATOM 811 C GLU A 58 12.204 1.956 1.304 1.00 0.00 C ATOM 812 O GLU A 58 12.745 0.884 1.571 1.00 0.00 O ATOM 813 CB GLU A 58 10.366 2.909 2.744 1.00 0.00 C ATOM 814 CG GLU A 58 10.123 3.204 4.225 1.00 0.00 C ATOM 815 CD GLU A 58 10.856 2.195 5.112 1.00 0.00 C ATOM 816 OE1 GLU A 58 10.408 1.028 5.135 1.00 0.00 O ATOM 817 OE2 GLU A 58 11.849 2.613 5.747 1.00 0.00 O ATOM 0 H GLU A 58 11.507 4.948 1.892 1.00 0.00 H new ATOM 0 HA GLU A 58 12.405 2.665 3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.834 3.638 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.962 1.928 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.462 4.213 4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.054 3.170 4.436 1.00 0.00 H new ATOM 824 N GLY A 59 11.876 2.347 0.081 1.00 0.00 N ATOM 825 CA GLY A 59 12.144 1.504 -1.072 1.00 0.00 C ATOM 826 C GLY A 59 11.043 0.457 -1.252 1.00 0.00 C ATOM 827 O GLY A 59 11.043 -0.288 -2.231 1.00 0.00 O ATOM 0 H GLY A 59 11.427 3.237 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.216 2.120 -1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.106 1.008 -0.948 1.00 0.00 H new ATOM 831 N THR A 60 10.130 0.433 -0.292 1.00 0.00 N ATOM 832 CA THR A 60 9.026 -0.511 -0.333 1.00 0.00 C ATOM 833 C THR A 60 8.037 -0.128 -1.436 1.00 0.00 C ATOM 834 O THR A 60 7.634 -0.972 -2.233 1.00 0.00 O ATOM 835 CB THR A 60 8.394 -0.559 1.060 1.00 0.00 C ATOM 836 OG1 THR A 60 9.128 -1.574 1.740 1.00 0.00 O ATOM 837 CG2 THR A 60 6.960 -1.092 1.034 1.00 0.00 C ATOM 0 H THR A 60 10.132 1.052 0.519 1.00 0.00 H new ATOM 0 HA THR A 60 9.372 -1.514 -0.584 1.00 0.00 H new ATOM 0 HB THR A 60 8.403 0.440 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.602 -1.906 2.497 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.558 -1.105 2.047 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.343 -0.447 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.955 -2.104 0.628 1.00 0.00 H new ATOM 845 N ILE A 61 7.676 1.147 -1.445 1.00 0.00 N ATOM 846 CA ILE A 61 6.742 1.652 -2.437 1.00 0.00 C ATOM 847 C ILE A 61 7.512 2.061 -3.695 1.00 0.00 C ATOM 848 O ILE A 61 7.957 3.202 -3.812 1.00 0.00 O ATOM 849 CB ILE A 61 5.889 2.777 -1.846 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.299 2.365 -0.496 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.808 3.221 -2.833 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.706 3.572 0.234 1.00 0.00 C ATOM 0 H ILE A 61 8.013 1.845 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 61 6.040 0.871 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 61 6.534 3.637 -1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.526 1.611 -0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.074 1.908 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.216 4.021 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.277 3.582 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.159 2.377 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.293 3.252 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.487 4.313 0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.915 4.012 -0.373 1.00 0.00 H new ATOM 864 N GLN A 62 7.647 1.107 -4.604 1.00 0.00 N ATOM 865 CA GLN A 62 8.356 1.353 -5.848 1.00 0.00 C ATOM 866 C GLN A 62 7.364 1.659 -6.972 1.00 0.00 C ATOM 867 O GLN A 62 6.310 1.032 -7.063 1.00 0.00 O ATOM 868 CB GLN A 62 9.250 0.166 -6.214 1.00 0.00 C ATOM 869 CG GLN A 62 10.452 0.075 -5.272 1.00 0.00 C ATOM 870 CD GLN A 62 11.162 -1.273 -5.418 1.00 0.00 C ATOM 871 OE1 GLN A 62 11.938 -1.500 -6.331 1.00 0.00 O ATOM 872 NE2 GLN A 62 10.852 -2.152 -4.470 1.00 0.00 N ATOM 0 H GLN A 62 7.277 0.162 -4.504 1.00 0.00 H new ATOM 0 HA GLN A 62 9.000 2.222 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.673 -0.758 -6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.596 0.270 -7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.150 0.883 -5.489 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.122 0.207 -4.242 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.194 -1.897 -3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.272 -3.081 -4.479 1.00 0.00 H new ATOM 881 N LYS A 63 7.737 2.624 -7.800 1.00 0.00 N ATOM 882 CA LYS A 63 6.894 3.021 -8.915 1.00 0.00 C ATOM 883 C LYS A 63 6.518 1.783 -9.731 1.00 0.00 C ATOM 884 O LYS A 63 7.387 1.004 -10.120 1.00 0.00 O ATOM 885 CB LYS A 63 7.574 4.117 -9.738 1.00 0.00 C ATOM 886 CG LYS A 63 7.924 3.613 -11.139 1.00 0.00 C ATOM 887 CD LYS A 63 8.833 4.605 -11.868 1.00 0.00 C ATOM 888 CE LYS A 63 10.268 4.081 -11.943 1.00 0.00 C ATOM 889 NZ LYS A 63 10.987 4.698 -13.080 1.00 0.00 N ATOM 0 H LYS A 63 8.612 3.143 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 63 5.964 3.458 -8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.915 4.982 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.480 4.449 -9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.420 2.645 -11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.010 3.462 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.453 4.780 -12.875 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.819 5.564 -11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.791 4.301 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.260 2.997 -12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.959 4.331 -13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.497 4.467 -13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.011 5.730 -12.957 1.00 0.00 H new ATOM 903 N GLY A 64 5.222 1.640 -9.967 1.00 0.00 N ATOM 904 CA GLY A 64 4.721 0.510 -10.731 1.00 0.00 C ATOM 905 C GLY A 64 4.326 -0.644 -9.806 1.00 0.00 C ATOM 906 O GLY A 64 4.140 -1.772 -10.260 1.00 0.00 O ATOM 0 H GLY A 64 4.504 2.288 -9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.859 0.819 -11.322 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.484 0.174 -11.433 1.00 0.00 H new ATOM 910 N ASN A 65 4.208 -0.321 -8.527 1.00 0.00 N ATOM 911 CA ASN A 65 3.839 -1.316 -7.535 1.00 0.00 C ATOM 912 C ASN A 65 2.313 -1.419 -7.465 1.00 0.00 C ATOM 913 O ASN A 65 1.606 -0.674 -8.143 1.00 0.00 O ATOM 914 CB ASN A 65 4.350 -0.927 -6.146 1.00 0.00 C ATOM 915 CG ASN A 65 5.676 -1.623 -5.835 1.00 0.00 C ATOM 916 OD1 ASN A 65 6.646 -1.011 -5.419 1.00 0.00 O ATOM 917 ND2 ASN A 65 5.665 -2.934 -6.060 1.00 0.00 N ATOM 0 H ASN A 65 4.361 0.616 -8.155 1.00 0.00 H new ATOM 0 HA ASN A 65 4.284 -2.266 -7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.481 0.154 -6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.609 -1.196 -5.393 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.503 -3.489 -5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.819 -3.385 -6.409 1.00 0.00 H new ATOM 924 N GLU A 66 1.852 -2.347 -6.641 1.00 0.00 N ATOM 925 CA GLU A 66 0.423 -2.556 -6.474 1.00 0.00 C ATOM 926 C GLU A 66 -0.021 -2.104 -5.081 1.00 0.00 C ATOM 927 O GLU A 66 0.068 -2.866 -4.120 1.00 0.00 O ATOM 928 CB GLU A 66 0.051 -4.020 -6.720 1.00 0.00 C ATOM 929 CG GLU A 66 -1.360 -4.320 -6.212 1.00 0.00 C ATOM 930 CD GLU A 66 -1.722 -5.790 -6.433 1.00 0.00 C ATOM 931 OE1 GLU A 66 -2.062 -6.123 -7.588 1.00 0.00 O ATOM 932 OE2 GLU A 66 -1.650 -6.547 -5.441 1.00 0.00 O ATOM 0 H GLU A 66 2.442 -2.963 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.102 -1.952 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.112 -4.240 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.768 -4.670 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.427 -4.081 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.079 -3.683 -6.728 1.00 0.00 H new ATOM 939 N VAL A 67 -0.488 -0.866 -5.017 1.00 0.00 N ATOM 940 CA VAL A 67 -0.946 -0.304 -3.758 1.00 0.00 C ATOM 941 C VAL A 67 -2.277 -0.950 -3.370 1.00 0.00 C ATOM 942 O VAL A 67 -3.303 -0.689 -3.996 1.00 0.00 O ATOM 943 CB VAL A 67 -1.030 1.220 -3.866 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.362 1.848 -2.511 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.265 1.802 -4.436 1.00 0.00 C ATOM 0 H VAL A 67 -0.559 -0.236 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.235 -0.522 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.839 1.462 -4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.416 2.932 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.322 1.469 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.585 1.591 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.178 2.887 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.098 1.544 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.442 1.391 -5.430 1.00 0.00 H new ATOM 955 N LEU A 68 -2.217 -1.780 -2.339 1.00 0.00 N ATOM 956 CA LEU A 68 -3.406 -2.465 -1.860 1.00 0.00 C ATOM 957 C LEU A 68 -4.265 -1.486 -1.058 1.00 0.00 C ATOM 958 O LEU A 68 -5.455 -1.333 -1.330 1.00 0.00 O ATOM 959 CB LEU A 68 -3.020 -3.725 -1.082 1.00 0.00 C ATOM 960 CG LEU A 68 -1.945 -4.606 -1.721 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.222 -5.443 -0.664 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.538 -5.474 -2.833 1.00 0.00 C ATOM 0 H LEU A 68 -1.364 -1.994 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.012 -2.808 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.675 -3.425 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.917 -4.328 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.200 -3.957 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.463 -6.060 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.746 -4.782 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.941 -6.084 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.753 -6.091 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.315 -6.116 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.969 -4.834 -3.603 1.00 0.00 H new ATOM 974 N SER A 69 -3.629 -0.848 -0.087 1.00 0.00 N ATOM 975 CA SER A 69 -4.321 0.112 0.757 1.00 0.00 C ATOM 976 C SER A 69 -3.357 1.217 1.191 1.00 0.00 C ATOM 977 O SER A 69 -2.144 1.014 1.214 1.00 0.00 O ATOM 978 CB SER A 69 -4.933 -0.571 1.982 1.00 0.00 C ATOM 979 OG SER A 69 -3.957 -0.841 2.984 1.00 0.00 O ATOM 0 H SER A 69 -2.642 -0.977 0.135 1.00 0.00 H new ATOM 0 HA SER A 69 -5.133 0.553 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.715 0.064 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.408 -1.504 1.678 1.00 0.00 H new ATOM 0 HG SER A 69 -4.386 -1.275 3.750 1.00 0.00 H new ATOM 985 N ILE A 70 -3.932 2.363 1.525 1.00 0.00 N ATOM 986 CA ILE A 70 -3.139 3.501 1.958 1.00 0.00 C ATOM 987 C ILE A 70 -3.777 4.118 3.204 1.00 0.00 C ATOM 988 O ILE A 70 -4.971 4.414 3.213 1.00 0.00 O ATOM 989 CB ILE A 70 -2.952 4.492 0.807 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.206 3.843 -0.360 1.00 0.00 C ATOM 991 CG2 ILE A 70 -2.262 5.769 1.290 1.00 0.00 C ATOM 992 CD1 ILE A 70 -1.682 4.902 -1.332 1.00 0.00 C ATOM 0 H ILE A 70 -4.938 2.528 1.504 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.136 3.181 2.239 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.937 4.778 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.374 3.250 0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.871 3.159 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.141 6.456 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.869 6.241 2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.283 5.521 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.156 4.414 -2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.518 5.477 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.998 5.570 -0.808 1.00 0.00 H new ATOM 1004 N ASN A 71 -2.953 4.293 4.226 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.422 4.869 5.475 1.00 0.00 C ATOM 1006 C ASN A 71 -4.443 3.927 6.115 1.00 0.00 C ATOM 1007 O ASN A 71 -5.146 4.309 7.049 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.106 6.217 5.237 1.00 0.00 C ATOM 1009 CG ASN A 71 -3.782 7.203 6.361 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -4.641 7.627 7.116 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -2.498 7.541 6.430 1.00 0.00 N ATOM 0 H ASN A 71 -1.963 4.046 4.215 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.559 5.012 6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.781 6.630 4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.185 6.075 5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.180 8.193 7.147 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.831 7.148 5.766 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.491 2.712 5.588 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.415 1.712 6.096 1.00 0.00 C ATOM 1020 C GLY A 72 -6.691 1.666 5.254 1.00 0.00 C ATOM 1021 O GLY A 72 -7.583 0.860 5.515 1.00 0.00 O ATOM 0 H GLY A 72 -3.905 2.398 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.936 0.733 6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.667 1.938 7.132 1.00 0.00 H new ATOM 1025 N LYS A 73 -6.738 2.541 4.260 1.00 0.00 N ATOM 1026 CA LYS A 73 -7.890 2.610 3.377 1.00 0.00 C ATOM 1027 C LYS A 73 -7.712 1.610 2.233 1.00 0.00 C ATOM 1028 O LYS A 73 -6.777 1.726 1.442 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.120 4.048 2.907 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.185 4.740 3.760 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.753 5.965 3.040 1.00 0.00 C ATOM 1032 CE LYS A 73 -10.175 7.042 4.040 1.00 0.00 C ATOM 1033 NZ LYS A 73 -11.308 6.567 4.866 1.00 0.00 N ATOM 0 H LYS A 73 -5.997 3.208 4.047 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.796 2.325 3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.185 4.606 2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.430 4.048 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.990 4.039 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.752 5.042 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.005 6.370 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.610 5.670 2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.333 7.301 4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.461 7.949 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.648 7.344 5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.079 6.246 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.994 5.777 5.465 1.00 0.00 H new ATOM 1047 N SER A 74 -8.624 0.650 2.182 1.00 0.00 N ATOM 1048 CA SER A 74 -8.579 -0.370 1.147 1.00 0.00 C ATOM 1049 C SER A 74 -9.305 0.124 -0.106 1.00 0.00 C ATOM 1050 O SER A 74 -10.293 0.850 -0.009 1.00 0.00 O ATOM 1051 CB SER A 74 -9.198 -1.680 1.638 1.00 0.00 C ATOM 1052 OG SER A 74 -8.597 -2.134 2.848 1.00 0.00 O ATOM 0 H SER A 74 -9.398 0.557 2.840 1.00 0.00 H new ATOM 0 HA SER A 74 -7.535 -0.563 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.267 -1.539 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.087 -2.444 0.869 1.00 0.00 H new ATOM 0 HG SER A 74 -9.021 -2.972 3.130 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.787 -0.290 -1.253 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.374 0.100 -2.523 1.00 0.00 C ATOM 1060 C LEU A 75 -10.531 -0.843 -2.857 1.00 0.00 C ATOM 1061 O LEU A 75 -10.316 -1.933 -3.385 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.300 0.166 -3.612 1.00 0.00 C ATOM 1063 CG LEU A 75 -6.933 0.697 -3.175 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.845 0.293 -4.171 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -6.978 2.210 -2.955 1.00 0.00 C ATOM 0 H LEU A 75 -7.967 -0.892 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.791 1.105 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.165 -0.835 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.670 0.795 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.678 0.241 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.883 0.683 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.794 -0.794 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.081 0.702 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.994 2.562 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.264 2.704 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.708 2.443 -2.180 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.734 -0.389 -2.535 1.00 0.00 N ATOM 1078 CA LYS A 76 -12.926 -1.179 -2.794 1.00 0.00 C ATOM 1079 C LYS A 76 -13.413 -0.906 -4.219 1.00 0.00 C ATOM 1080 O LYS A 76 -14.538 -1.256 -4.571 1.00 0.00 O ATOM 1081 CB LYS A 76 -13.985 -0.917 -1.722 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.678 0.427 -1.951 1.00 0.00 C ATOM 1083 CD LYS A 76 -16.044 0.235 -2.613 1.00 0.00 C ATOM 1084 CE LYS A 76 -17.176 0.481 -1.614 1.00 0.00 C ATOM 1085 NZ LYS A 76 -18.243 1.301 -2.231 1.00 0.00 N ATOM 0 H LYS A 76 -11.909 0.516 -2.097 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.699 -2.243 -2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.724 -1.718 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.520 -0.927 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.801 0.943 -0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.052 1.061 -2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.143 0.919 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.120 -0.776 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.588 -0.471 -1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.786 0.986 -0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.004 1.459 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.849 2.217 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.627 0.804 -3.060 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.541 -0.285 -5.000 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.868 0.038 -6.378 1.00 0.00 C ATOM 1101 C GLY A 77 -12.830 1.550 -6.611 1.00 0.00 C ATOM 1102 O GLY A 77 -13.506 2.062 -7.502 1.00 0.00 O ATOM 0 H GLY A 77 -11.608 0.003 -4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.163 -0.455 -7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.859 -0.346 -6.620 1.00 0.00 H new ATOM 1106 N THR A 78 -12.033 2.222 -5.794 1.00 0.00 N ATOM 1107 CA THR A 78 -11.897 3.665 -5.899 1.00 0.00 C ATOM 1108 C THR A 78 -11.307 4.047 -7.258 1.00 0.00 C ATOM 1109 O THR A 78 -10.385 3.395 -7.744 1.00 0.00 O ATOM 1110 CB THR A 78 -11.058 4.149 -4.715 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.025 3.031 -3.833 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.762 5.241 -3.907 1.00 0.00 C ATOM 0 H THR A 78 -11.474 1.794 -5.056 1.00 0.00 H new ATOM 0 HA THR A 78 -12.868 4.158 -5.851 1.00 0.00 H new ATOM 0 HB THR A 78 -10.101 4.525 -5.077 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.499 3.257 -3.038 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.124 5.549 -3.079 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.961 6.098 -4.550 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.703 4.855 -3.516 1.00 0.00 H new ATOM 1120 N THR A 79 -11.864 5.103 -7.834 1.00 0.00 N ATOM 1121 CA THR A 79 -11.405 5.580 -9.127 1.00 0.00 C ATOM 1122 C THR A 79 -10.038 6.254 -8.992 1.00 0.00 C ATOM 1123 O THR A 79 -9.382 6.133 -7.959 1.00 0.00 O ATOM 1124 CB THR A 79 -12.483 6.501 -9.701 1.00 0.00 C ATOM 1125 OG1 THR A 79 -12.682 7.478 -8.683 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.841 5.808 -9.824 1.00 0.00 C ATOM 0 H THR A 79 -12.629 5.642 -7.428 1.00 0.00 H new ATOM 0 HA THR A 79 -11.258 4.755 -9.824 1.00 0.00 H new ATOM 0 HB THR A 79 -12.170 6.860 -10.681 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.365 8.118 -8.973 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.570 6.506 -10.236 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.751 4.945 -10.484 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.172 5.478 -8.839 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.650 6.949 -10.051 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.373 7.642 -10.064 1.00 0.00 C ATOM 1136 C HIS A 80 -8.440 8.859 -9.139 1.00 0.00 C ATOM 1137 O HIS A 80 -7.455 9.204 -8.489 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.967 8.006 -11.494 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.535 8.466 -11.627 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.455 7.640 -11.368 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -6.017 9.672 -11.996 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.342 8.329 -11.574 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.692 9.589 -11.962 1.00 0.00 N ATOM 0 H HIS A 80 -10.197 7.047 -10.906 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.593 6.982 -9.683 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.121 7.139 -12.136 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.626 8.794 -11.859 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.507 6.666 -11.069 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.588 10.547 -12.270 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.335 7.958 -11.456 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.612 9.476 -9.110 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.821 10.646 -8.276 1.00 0.00 C ATOM 1153 C HIS A 81 -10.017 10.212 -6.822 1.00 0.00 C ATOM 1154 O HIS A 81 -9.154 10.449 -5.978 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.983 11.490 -8.804 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.814 12.975 -8.583 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -11.248 13.922 -9.494 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -10.255 13.664 -7.547 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -10.958 15.124 -9.018 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -10.342 14.962 -7.811 1.00 0.00 N ATOM 0 H HIS A 81 -10.427 9.187 -9.651 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.938 11.285 -8.313 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.099 11.303 -9.872 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.904 11.164 -8.321 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.816 13.228 -6.662 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.172 16.066 -9.500 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.004 15.714 -7.211 1.00 0.00 H new ATOM 1168 N ASP A 82 -11.157 9.584 -6.574 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.478 9.115 -5.237 1.00 0.00 C ATOM 1170 C ASP A 82 -10.216 8.547 -4.584 1.00 0.00 C ATOM 1171 O ASP A 82 -10.069 8.593 -3.364 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.529 8.004 -5.281 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.959 8.476 -5.546 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -14.106 9.663 -5.912 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.873 7.641 -5.378 1.00 0.00 O ATOM 0 H ASP A 82 -11.870 9.389 -7.277 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.869 9.959 -4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.249 7.290 -6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.509 7.468 -4.332 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.337 8.024 -5.427 1.00 0.00 N ATOM 1181 CA ALA A 83 -8.092 7.448 -4.947 1.00 0.00 C ATOM 1182 C ALA A 83 -7.107 8.572 -4.619 1.00 0.00 C ATOM 1183 O ALA A 83 -6.590 8.643 -3.506 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.542 6.478 -5.994 1.00 0.00 C ATOM 0 H ALA A 83 -9.462 7.987 -6.439 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.260 6.880 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.608 6.046 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.266 5.683 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.359 7.014 -6.926 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.878 9.422 -5.609 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.965 10.539 -5.440 1.00 0.00 C ATOM 1192 C LEU A 84 -6.261 11.237 -4.111 1.00 0.00 C ATOM 1193 O LEU A 84 -5.363 11.424 -3.291 1.00 0.00 O ATOM 1194 CB LEU A 84 -6.028 11.472 -6.652 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.219 11.037 -7.875 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -4.739 9.592 -7.730 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -6.016 11.250 -9.164 1.00 0.00 C ATOM 0 H LEU A 84 -7.309 9.359 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.935 10.185 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.071 11.578 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.682 12.459 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.331 11.666 -7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.167 9.308 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.108 9.505 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.600 8.931 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.418 10.933 -10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.934 10.663 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.265 12.306 -9.268 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.522 11.603 -3.939 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.947 12.277 -2.724 1.00 0.00 C ATOM 1211 C ALA A 85 -7.545 11.434 -1.512 1.00 0.00 C ATOM 1212 O ALA A 85 -6.869 11.922 -0.608 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.455 12.532 -2.782 1.00 0.00 C ATOM 0 H ALA A 85 -8.264 11.446 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.456 13.246 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.774 13.038 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.685 13.158 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.981 11.582 -2.873 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.980 10.182 -1.532 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.674 9.266 -0.446 1.00 0.00 C ATOM 1221 C ILE A 86 -6.189 9.379 -0.092 1.00 0.00 C ATOM 1222 O ILE A 86 -5.821 9.326 1.080 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.115 7.846 -0.802 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.402 7.470 -0.064 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -6.991 6.841 -0.542 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.624 7.645 -0.969 1.00 0.00 C ATOM 0 H ILE A 86 -8.542 9.781 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.237 9.534 0.448 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.335 7.814 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.342 6.436 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.511 8.092 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.331 5.839 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.124 7.100 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.716 6.867 0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.525 7.371 -0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.695 8.685 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.523 7.004 -1.845 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.377 9.532 -1.128 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.941 9.652 -0.942 1.00 0.00 C ATOM 1240 C LEU A 87 -3.628 10.996 -0.281 1.00 0.00 C ATOM 1241 O LEU A 87 -2.721 11.089 0.544 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.209 9.433 -2.268 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.798 10.016 -2.359 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.843 11.524 -2.613 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.980 9.669 -1.113 1.00 0.00 C ATOM 0 H LEU A 87 -5.686 9.576 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.577 8.874 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.150 8.361 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.811 9.864 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.295 9.561 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.827 11.913 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.363 11.720 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.372 12.015 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.019 10.095 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.471 10.078 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.905 8.586 -1.017 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.396 12.003 -0.670 1.00 0.00 N ATOM 1258 CA ARG A 88 -4.211 13.338 -0.125 1.00 0.00 C ATOM 1259 C ARG A 88 -4.681 13.387 1.330 1.00 0.00 C ATOM 1260 O ARG A 88 -4.422 14.360 2.037 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.986 14.377 -0.939 1.00 0.00 C ATOM 1262 CG ARG A 88 -4.273 14.683 -2.258 1.00 0.00 C ATOM 1263 CD ARG A 88 -5.064 15.697 -3.086 1.00 0.00 C ATOM 1264 NE ARG A 88 -4.146 16.468 -3.954 1.00 0.00 N ATOM 1265 CZ ARG A 88 -3.574 15.980 -5.064 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -3.823 14.720 -5.447 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -2.754 16.752 -5.790 1.00 0.00 N ATOM 0 H ARG A 88 -5.147 11.922 -1.355 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.148 13.572 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.992 14.009 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.093 15.293 -0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.276 15.073 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.145 13.763 -2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.806 15.181 -3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.607 16.373 -2.426 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.935 17.431 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.447 14.133 -4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.388 14.348 -6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.565 17.711 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.319 16.381 -6.634 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.362 12.325 1.735 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.870 12.235 3.093 1.00 0.00 C ATOM 1283 C GLN A 89 -4.857 11.523 3.992 1.00 0.00 C ATOM 1284 O GLN A 89 -4.803 11.777 5.195 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.226 11.526 3.126 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.323 12.414 2.534 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.585 12.375 3.398 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.535 12.384 4.617 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.717 12.331 2.700 1.00 0.00 N ATOM 0 H GLN A 89 -5.574 11.519 1.146 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.017 13.246 3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.166 10.593 2.566 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.479 11.265 4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.963 13.440 2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.559 12.081 1.523 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.688 12.326 1.680 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.614 12.302 3.185 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.081 10.645 3.375 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.073 9.894 4.104 1.00 0.00 C ATOM 1300 C ALA A 90 -1.875 10.802 4.390 1.00 0.00 C ATOM 1301 O ALA A 90 -0.960 10.418 5.117 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.684 8.650 3.304 1.00 0.00 C ATOM 0 H ALA A 90 -4.130 10.436 2.378 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.466 9.555 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.928 8.087 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.564 8.024 3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.283 8.951 2.336 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.919 11.989 3.803 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.848 12.954 3.986 1.00 0.00 C ATOM 1310 C ARG A 91 -1.231 13.975 5.060 1.00 0.00 C ATOM 1311 O ARG A 91 -0.423 14.826 5.427 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.541 13.690 2.680 1.00 0.00 C ATOM 1313 CG ARG A 91 -0.127 12.708 1.582 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.310 13.327 0.195 1.00 0.00 C ATOM 1315 NE ARG A 91 0.849 12.998 -0.664 1.00 0.00 N ATOM 1316 CZ ARG A 91 1.082 13.557 -1.859 1.00 0.00 C ATOM 1317 NH1 ARG A 91 0.237 14.477 -2.344 1.00 0.00 N ATOM 1318 NH2 ARG A 91 2.160 13.197 -2.569 1.00 0.00 N ATOM 0 H ARG A 91 -2.679 12.304 3.201 1.00 0.00 H new ATOM 0 HA ARG A 91 0.041 12.407 4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.419 14.251 2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.257 14.414 2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.915 12.420 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.722 11.798 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.228 12.954 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.413 14.409 0.281 1.00 0.00 H new ATOM 0 HE ARG A 91 1.513 12.302 -0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.583 14.751 -1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.414 14.903 -3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.804 12.497 -2.200 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.337 13.623 -3.479 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.463 13.855 5.533 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.962 14.756 6.557 1.00 0.00 C ATOM 1334 C GLU A 92 -2.300 14.450 7.902 1.00 0.00 C ATOM 1335 O GLU A 92 -1.899 15.362 8.622 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.486 14.673 6.664 1.00 0.00 C ATOM 1337 CG GLU A 92 -5.142 14.836 5.292 1.00 0.00 C ATOM 1338 CD GLU A 92 -6.635 14.509 5.355 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.950 13.377 5.782 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -7.428 15.398 4.976 1.00 0.00 O ATOM 0 H GLU A 92 -3.130 13.147 5.226 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.706 15.776 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.772 13.714 7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.849 15.448 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.005 15.858 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.653 14.181 4.571 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.204 13.128 8.208 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.598 12.690 9.453 1.00 0.00 C ATOM 1349 C PRO A 93 -0.075 12.823 9.398 1.00 0.00 C ATOM 1350 O PRO A 93 0.461 13.510 8.530 1.00 0.00 O ATOM 1351 CB PRO A 93 -2.063 11.254 9.633 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.526 10.791 8.262 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.669 12.020 7.379 1.00 0.00 C ATOM 0 HA PRO A 93 -1.897 13.301 10.304 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.254 10.625 10.005 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.873 11.194 10.360 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.807 10.093 7.832 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.477 10.263 8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.073 11.927 6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.703 12.166 7.067 1.00 0.00 H new ATOM 1361 N ARG A 94 0.580 12.155 10.337 1.00 0.00 N ATOM 1362 CA ARG A 94 2.031 12.191 10.407 1.00 0.00 C ATOM 1363 C ARG A 94 2.616 10.843 9.980 1.00 0.00 C ATOM 1364 O ARG A 94 3.807 10.742 9.692 1.00 0.00 O ATOM 1365 CB ARG A 94 2.507 12.519 11.823 1.00 0.00 C ATOM 1366 CG ARG A 94 2.927 13.986 11.934 1.00 0.00 C ATOM 1367 CD ARG A 94 2.105 14.714 12.999 1.00 0.00 C ATOM 1368 NE ARG A 94 2.033 13.896 14.230 1.00 0.00 N ATOM 1369 CZ ARG A 94 1.451 14.299 15.367 1.00 0.00 C ATOM 1370 NH1 ARG A 94 0.887 15.513 15.437 1.00 0.00 N ATOM 1371 NH2 ARG A 94 1.433 13.489 16.435 1.00 0.00 N ATOM 0 H ARG A 94 0.132 11.586 11.055 1.00 0.00 H new ATOM 0 HA ARG A 94 2.376 12.973 9.730 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.709 12.310 12.536 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.347 11.876 12.086 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.986 14.047 12.183 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.798 14.479 10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.557 15.681 13.221 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.101 14.910 12.624 1.00 0.00 H new ATOM 0 HE ARG A 94 2.453 12.967 14.211 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.901 16.130 14.625 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.444 15.820 16.303 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.863 12.565 16.382 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.990 13.796 17.301 1.00 0.00 H new ATOM 1385 N GLN A 95 1.749 9.841 9.951 1.00 0.00 N ATOM 1386 CA GLN A 95 2.165 8.503 9.564 1.00 0.00 C ATOM 1387 C GLN A 95 1.314 8.000 8.396 1.00 0.00 C ATOM 1388 O GLN A 95 0.144 8.359 8.276 1.00 0.00 O ATOM 1389 CB GLN A 95 2.091 7.541 10.751 1.00 0.00 C ATOM 1390 CG GLN A 95 2.894 6.268 10.476 1.00 0.00 C ATOM 1391 CD GLN A 95 2.439 5.125 11.386 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.132 4.713 12.302 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.239 4.638 11.084 1.00 0.00 N ATOM 0 H GLN A 95 0.761 9.929 10.189 1.00 0.00 H new ATOM 0 HA GLN A 95 3.204 8.546 9.239 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.475 8.031 11.646 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.051 7.283 10.950 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.774 5.977 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.955 6.462 10.633 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.711 5.029 10.304 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.846 3.873 11.633 1.00 0.00 H new ATOM 1402 N ALA A 96 1.935 7.177 7.564 1.00 0.00 N ATOM 1403 CA ALA A 96 1.249 6.621 6.410 1.00 0.00 C ATOM 1404 C ALA A 96 1.433 5.102 6.397 1.00 0.00 C ATOM 1405 O ALA A 96 2.526 4.602 6.657 1.00 0.00 O ATOM 1406 CB ALA A 96 1.776 7.283 5.136 1.00 0.00 C ATOM 0 H ALA A 96 2.906 6.882 7.666 1.00 0.00 H new ATOM 0 HA ALA A 96 0.179 6.823 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.262 6.866 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.596 8.357 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.846 7.098 5.046 1.00 0.00 H new ATOM 1412 N VAL A 97 0.345 4.409 6.091 1.00 0.00 N ATOM 1413 CA VAL A 97 0.372 2.957 6.040 1.00 0.00 C ATOM 1414 C VAL A 97 0.046 2.495 4.618 1.00 0.00 C ATOM 1415 O VAL A 97 -1.081 2.656 4.152 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.580 2.379 7.089 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.198 1.066 6.604 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.133 2.188 8.429 1.00 0.00 C ATOM 0 H VAL A 97 -0.560 4.827 5.876 1.00 0.00 H new ATOM 0 HA VAL A 97 1.367 2.585 6.283 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.389 3.094 7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.870 0.676 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.757 1.244 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.407 0.341 6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.566 1.776 9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.970 1.502 8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.503 3.150 8.785 1.00 0.00 H new ATOM 1428 N ILE A 98 1.054 1.931 3.968 1.00 0.00 N ATOM 1429 CA ILE A 98 0.888 1.444 2.609 1.00 0.00 C ATOM 1430 C ILE A 98 1.250 -0.042 2.557 1.00 0.00 C ATOM 1431 O ILE A 98 2.355 -0.429 2.931 1.00 0.00 O ATOM 1432 CB ILE A 98 1.688 2.306 1.631 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.441 3.795 1.883 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.389 1.913 0.183 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.575 4.407 2.708 1.00 0.00 C ATOM 0 H ILE A 98 1.988 1.801 4.357 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.153 1.530 2.297 1.00 0.00 H new ATOM 0 HB ILE A 98 2.749 2.122 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.355 4.319 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.494 3.927 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.971 2.541 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.656 0.868 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.327 2.050 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.375 5.466 2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.642 3.897 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.517 4.295 2.171 1.00 0.00 H new ATOM 1447 N VAL A 99 0.296 -0.834 2.088 1.00 0.00 N ATOM 1448 CA VAL A 99 0.500 -2.268 1.982 1.00 0.00 C ATOM 1449 C VAL A 99 0.757 -2.635 0.519 1.00 0.00 C ATOM 1450 O VAL A 99 -0.129 -2.502 -0.323 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.694 -3.012 2.584 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.429 -4.518 2.641 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.040 -2.464 3.969 1.00 0.00 C ATOM 0 H VAL A 99 -0.620 -0.509 1.777 1.00 0.00 H new ATOM 0 HA VAL A 99 1.377 -2.573 2.553 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.554 -2.847 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.293 -5.023 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.254 -4.895 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.449 -4.710 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.892 -3.010 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.183 -2.584 4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.292 -1.406 3.889 1.00 0.00 H new ATOM 1463 N THR A 100 1.975 -3.090 0.262 1.00 0.00 N ATOM 1464 CA THR A 100 2.360 -3.477 -1.084 1.00 0.00 C ATOM 1465 C THR A 100 3.080 -4.828 -1.066 1.00 0.00 C ATOM 1466 O THR A 100 3.605 -5.241 -0.033 1.00 0.00 O ATOM 1467 CB THR A 100 3.204 -2.348 -1.678 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.322 -2.250 -0.799 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.520 -0.984 -1.564 1.00 0.00 C ATOM 0 H THR A 100 2.708 -3.199 0.963 1.00 0.00 H new ATOM 0 HA THR A 100 1.486 -3.618 -1.719 1.00 0.00 H new ATOM 0 HB THR A 100 3.412 -2.564 -2.726 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.923 -1.542 -1.112 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.161 -0.218 -2.000 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.569 -1.008 -2.096 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.342 -0.753 -0.514 1.00 0.00 H new ATOM 1477 N ARG A 101 3.080 -5.477 -2.220 1.00 0.00 N ATOM 1478 CA ARG A 101 3.727 -6.772 -2.350 1.00 0.00 C ATOM 1479 C ARG A 101 4.588 -6.812 -3.614 1.00 0.00 C ATOM 1480 O ARG A 101 4.406 -5.999 -4.519 1.00 0.00 O ATOM 1481 CB ARG A 101 2.694 -7.900 -2.410 1.00 0.00 C ATOM 1482 CG ARG A 101 1.812 -7.770 -3.653 1.00 0.00 C ATOM 1483 CD ARG A 101 0.341 -7.603 -3.267 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.499 -8.530 -4.058 1.00 0.00 N ATOM 1485 CZ ARG A 101 -1.702 -8.972 -3.668 1.00 0.00 C ATOM 1486 NH1 ARG A 101 -2.213 -8.575 -2.495 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -2.393 -9.812 -4.451 1.00 0.00 N ATOM 0 H ARG A 101 2.642 -5.131 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 101 4.357 -6.917 -1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.203 -8.864 -2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.073 -7.877 -1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.136 -6.914 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.929 -8.654 -4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.211 -7.800 -2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.025 -6.574 -3.442 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.139 -8.853 -4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.686 -7.936 -1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.129 -8.911 -2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.003 -10.115 -5.344 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.309 -10.149 -4.154 1.00 0.00 H new