USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 65 CYS SG : rot -59:sc= 0.669 USER MOD Set 1.2: A 70 THR OG1 : rot -157:sc= 0.651 USER MOD Set 1.3: A 106 MET CE :methyl -136:sc= -1.2 (180deg=-2.76!) USER MOD Set 2.1: A 61 THR OG1 : rot 77:sc= 0.744 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.949 K(o=1.7,f=-7.2!) USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= -0.377 (180deg=-1.57!) USER MOD Single : A 24 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 31 SER OG : rot -120:sc= -0.256 USER MOD Single : A 34 GLN : amide:sc= -0.0649 K(o=-0.065,f=-1.6!) USER MOD Single : A 35 ASN : amide:sc= -0.875 K(o=-0.87,f=-2.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= -0.192 (180deg=-1.6!) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= -0.0272 (180deg=-0.187) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -120:sc= 1.05 USER MOD Single : A 60 SER OG : rot 140:sc= -0.925 USER MOD Single : A 69 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.11) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0304 X(o=-0.03,f=-0.03) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= -0.0266 (180deg=-0.26) USER MOD Single : A 92 CYS SG : rot 83:sc= 0.629 USER MOD Single : A 93 HIS : no HD1:sc= -0.243 K(o=-0.24,f=-0.79) USER MOD Single : A 95 MET CE :methyl -123:sc= -0.933 (180deg=-3.8!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.0444 USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 5.728 18.559 -0.458 1.00 0.00 N ATOM 228 CA GLU A 18 6.785 17.563 -0.313 1.00 0.00 C ATOM 229 C GLU A 18 6.201 16.154 -0.266 1.00 0.00 C ATOM 230 O GLU A 18 6.644 15.262 -0.991 1.00 0.00 O ATOM 231 CB GLU A 18 7.600 17.833 0.953 1.00 0.00 C ATOM 232 CG GLU A 18 8.959 17.153 0.959 1.00 0.00 C ATOM 233 CD GLU A 18 10.008 17.941 0.199 1.00 0.00 C ATOM 234 OE1 GLU A 18 10.133 17.733 -1.026 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.704 18.764 0.829 1.00 0.00 O ATOM 0 HA GLU A 18 7.441 17.637 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.741 18.908 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.031 17.497 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.288 17.016 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.866 16.160 0.519 1.00 0.00 H new ATOM 242 N LEU A 19 5.206 15.961 0.592 1.00 0.00 N ATOM 243 CA LEU A 19 4.561 14.660 0.736 1.00 0.00 C ATOM 244 C LEU A 19 3.946 14.209 -0.585 1.00 0.00 C ATOM 245 O LEU A 19 4.125 13.067 -1.007 1.00 0.00 O ATOM 246 CB LEU A 19 3.483 14.720 1.819 1.00 0.00 C ATOM 247 CG LEU A 19 3.953 14.451 3.249 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.471 13.027 3.382 1.00 0.00 C ATOM 249 CD2 LEU A 19 5.026 15.451 3.655 1.00 0.00 C ATOM 0 H LEU A 19 4.828 16.688 1.199 1.00 0.00 H new ATOM 0 HA LEU A 19 5.321 13.935 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.021 15.707 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.706 13.997 1.571 1.00 0.00 H new ATOM 0 HG LEU A 19 3.102 14.570 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.801 12.854 4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.674 12.325 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.309 12.880 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.349 15.244 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.878 15.364 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.621 16.462 3.600 1.00 0.00 H new ATOM 261 N GLY A 20 3.222 15.115 -1.235 1.00 0.00 N ATOM 262 CA GLY A 20 2.593 14.791 -2.502 1.00 0.00 C ATOM 263 C GLY A 20 3.602 14.445 -3.579 1.00 0.00 C ATOM 264 O GLY A 20 3.247 13.890 -4.619 1.00 0.00 O ATOM 0 H GLY A 20 3.060 16.067 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.913 13.951 -2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.990 15.637 -2.832 1.00 0.00 H new ATOM 268 N LYS A 21 4.865 14.775 -3.331 1.00 0.00 N ATOM 269 CA LYS A 21 5.931 14.497 -4.287 1.00 0.00 C ATOM 270 C LYS A 21 6.588 13.152 -3.993 1.00 0.00 C ATOM 271 O LYS A 21 7.612 12.809 -4.584 1.00 0.00 O ATOM 272 CB LYS A 21 6.982 15.609 -4.248 1.00 0.00 C ATOM 273 CG LYS A 21 6.593 16.841 -5.046 1.00 0.00 C ATOM 274 CD LYS A 21 6.796 16.627 -6.537 1.00 0.00 C ATOM 275 CE LYS A 21 8.208 16.994 -6.966 1.00 0.00 C ATOM 276 NZ LYS A 21 9.169 15.883 -6.720 1.00 0.00 N ATOM 0 H LYS A 21 5.176 15.236 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 21 5.490 14.457 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.155 15.898 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.925 15.220 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.549 17.087 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.188 17.692 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.598 15.584 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.078 17.229 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.211 17.249 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.533 17.882 -6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.941 15.932 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.560 15.969 -5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.677 14.971 -6.813 1.00 0.00 H new ATOM 290 N ILE A 22 5.991 12.394 -3.079 1.00 0.00 N ATOM 291 CA ILE A 22 6.517 11.086 -2.710 1.00 0.00 C ATOM 292 C ILE A 22 5.897 9.984 -3.561 1.00 0.00 C ATOM 293 O ILE A 22 6.603 9.228 -4.229 1.00 0.00 O ATOM 294 CB ILE A 22 6.262 10.776 -1.223 1.00 0.00 C ATOM 295 CG1 ILE A 22 6.797 11.908 -0.344 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.906 9.451 -0.840 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.572 11.683 1.135 1.00 0.00 C ATOM 0 H ILE A 22 5.143 12.664 -2.581 1.00 0.00 H new ATOM 0 HA ILE A 22 7.592 11.117 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 22 5.187 10.695 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.865 12.025 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.319 12.842 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.717 9.246 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.482 8.651 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.981 9.506 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.977 12.525 1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.503 11.596 1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.074 10.766 1.444 1.00 0.00 H new ATOM 309 N LEU A 23 4.571 9.899 -3.535 1.00 0.00 N ATOM 310 CA LEU A 23 3.853 8.890 -4.307 1.00 0.00 C ATOM 311 C LEU A 23 3.126 9.524 -5.488 1.00 0.00 C ATOM 312 O LEU A 23 2.043 9.082 -5.871 1.00 0.00 O ATOM 313 CB LEU A 23 2.854 8.152 -3.414 1.00 0.00 C ATOM 314 CG LEU A 23 3.456 7.304 -2.292 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.367 6.525 -1.570 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.513 6.360 -2.845 1.00 0.00 C ATOM 0 H LEU A 23 3.971 10.517 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 23 4.581 8.177 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.184 8.887 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.243 7.505 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 23 3.934 7.971 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.813 5.927 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.646 7.221 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.860 5.868 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.930 5.765 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.060 5.699 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.308 6.939 -3.316 1.00 0.00 H new ATOM 328 N GLN A 24 3.729 10.560 -6.062 1.00 0.00 N ATOM 329 CA GLN A 24 3.139 11.252 -7.201 1.00 0.00 C ATOM 330 C GLN A 24 2.956 10.303 -8.380 1.00 0.00 C ATOM 331 O GLN A 24 3.928 9.862 -8.991 1.00 0.00 O ATOM 332 CB GLN A 24 4.014 12.436 -7.614 1.00 0.00 C ATOM 333 CG GLN A 24 3.403 13.291 -8.713 1.00 0.00 C ATOM 334 CD GLN A 24 4.449 13.959 -9.583 1.00 0.00 C ATOM 335 OE1 GLN A 24 4.589 13.637 -10.763 1.00 0.00 O ATOM 336 NE2 GLN A 24 5.190 14.896 -9.004 1.00 0.00 N ATOM 0 H GLN A 24 4.626 10.938 -5.757 1.00 0.00 H new ATOM 0 HA GLN A 24 2.158 11.622 -6.901 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.201 13.061 -6.741 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.981 12.062 -7.951 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.760 12.669 -9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.768 14.055 -8.263 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.040 15.131 -8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.910 15.381 -9.540 1.00 0.00 H new ATOM 345 N GLY A 25 1.702 9.993 -8.695 1.00 0.00 N ATOM 346 CA GLY A 25 1.415 9.097 -9.800 1.00 0.00 C ATOM 347 C GLY A 25 1.196 7.667 -9.346 1.00 0.00 C ATOM 348 O GLY A 25 1.376 6.728 -10.121 1.00 0.00 O ATOM 0 H GLY A 25 0.880 10.346 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.527 9.448 -10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.240 9.127 -10.511 1.00 0.00 H new ATOM 352 N VAL A 26 0.807 7.501 -8.086 1.00 0.00 N ATOM 353 CA VAL A 26 0.564 6.176 -7.529 1.00 0.00 C ATOM 354 C VAL A 26 -0.879 6.033 -7.061 1.00 0.00 C ATOM 355 O VAL A 26 -1.528 7.017 -6.703 1.00 0.00 O ATOM 356 CB VAL A 26 1.507 5.882 -6.348 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.246 4.492 -5.788 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.960 6.028 -6.776 1.00 0.00 C ATOM 0 H VAL A 26 0.653 8.268 -7.431 1.00 0.00 H new ATOM 0 HA VAL A 26 0.757 5.458 -8.326 1.00 0.00 H new ATOM 0 HB VAL A 26 1.309 6.608 -5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.922 4.303 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.215 4.427 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.414 3.748 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.612 5.816 -5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.174 5.327 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.136 7.046 -7.124 1.00 0.00 H new ATOM 368 N VAL A 27 -1.378 4.801 -7.065 1.00 0.00 N ATOM 369 CA VAL A 27 -2.745 4.528 -6.638 1.00 0.00 C ATOM 370 C VAL A 27 -2.790 3.375 -5.641 1.00 0.00 C ATOM 371 O VAL A 27 -2.263 2.294 -5.902 1.00 0.00 O ATOM 372 CB VAL A 27 -3.650 4.190 -7.838 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.111 4.170 -7.416 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.427 5.182 -8.969 1.00 0.00 C ATOM 0 H VAL A 27 -0.856 3.976 -7.359 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.114 5.434 -6.157 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.388 3.196 -8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.735 3.930 -8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.256 3.417 -6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.391 5.149 -7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.074 4.928 -9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.661 6.188 -8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.386 5.141 -9.289 1.00 0.00 H new ATOM 384 N VAL A 28 -3.425 3.613 -4.498 1.00 0.00 N ATOM 385 CA VAL A 28 -3.541 2.595 -3.461 1.00 0.00 C ATOM 386 C VAL A 28 -5.001 2.255 -3.186 1.00 0.00 C ATOM 387 O VAL A 28 -5.907 2.983 -3.592 1.00 0.00 O ATOM 388 CB VAL A 28 -2.876 3.051 -2.149 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.396 3.329 -2.369 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.580 4.279 -1.594 1.00 0.00 C ATOM 0 H VAL A 28 -3.867 4.503 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.027 1.708 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.966 2.247 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.943 3.650 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.903 2.422 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.280 4.115 -3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.097 4.587 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.523 5.090 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.625 4.041 -1.397 1.00 0.00 H new ATOM 400 N VAL A 29 -5.224 1.142 -2.493 1.00 0.00 N ATOM 401 CA VAL A 29 -6.575 0.706 -2.161 1.00 0.00 C ATOM 402 C VAL A 29 -6.648 0.183 -0.731 1.00 0.00 C ATOM 403 O VAL A 29 -5.770 -0.557 -0.284 1.00 0.00 O ATOM 404 CB VAL A 29 -7.061 -0.394 -3.124 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.464 -0.848 -2.751 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.017 0.100 -4.562 1.00 0.00 C ATOM 0 H VAL A 29 -4.486 0.526 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.223 1.577 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.392 -1.250 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.791 -1.625 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.460 -1.244 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.148 -0.001 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.364 -0.690 -5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.662 0.973 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.994 0.372 -4.822 1.00 0.00 H new ATOM 416 N LEU A 30 -7.699 0.570 -0.018 1.00 0.00 N ATOM 417 CA LEU A 30 -7.888 0.140 1.363 1.00 0.00 C ATOM 418 C LEU A 30 -8.664 -1.172 1.423 1.00 0.00 C ATOM 419 O LEU A 30 -9.818 -1.243 1.002 1.00 0.00 O ATOM 420 CB LEU A 30 -8.627 1.219 2.157 1.00 0.00 C ATOM 421 CG LEU A 30 -7.864 2.524 2.387 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.751 3.546 3.080 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.604 2.269 3.201 1.00 0.00 C ATOM 0 H LEU A 30 -8.434 1.181 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.905 -0.020 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.556 1.452 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.900 0.805 3.128 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.571 2.926 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.191 4.468 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.623 3.751 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.076 3.152 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.074 3.209 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.875 1.843 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.959 1.572 2.665 1.00 0.00 H new ATOM 435 N SER A 31 -8.021 -2.209 1.951 1.00 0.00 N ATOM 436 CA SER A 31 -8.650 -3.520 2.065 1.00 0.00 C ATOM 437 C SER A 31 -8.475 -4.086 3.471 1.00 0.00 C ATOM 438 O SER A 31 -7.378 -4.481 3.862 1.00 0.00 O ATOM 439 CB SER A 31 -8.055 -4.485 1.038 1.00 0.00 C ATOM 440 OG SER A 31 -8.689 -5.752 1.101 1.00 0.00 O ATOM 0 H SER A 31 -7.066 -2.167 2.306 1.00 0.00 H new ATOM 0 HA SER A 31 -9.716 -3.403 1.869 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.166 -4.069 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.986 -4.600 1.219 1.00 0.00 H new ATOM 0 HG SER A 31 -8.024 -6.440 1.314 1.00 0.00 H new ATOM 446 N GLY A 32 -9.568 -4.120 4.229 1.00 0.00 N ATOM 447 CA GLY A 32 -9.515 -4.638 5.583 1.00 0.00 C ATOM 448 C GLY A 32 -9.173 -3.567 6.601 1.00 0.00 C ATOM 449 O GLY A 32 -8.282 -3.751 7.429 1.00 0.00 O ATOM 0 H GLY A 32 -10.488 -3.798 3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.478 -5.082 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.773 -5.435 5.635 1.00 0.00 H new ATOM 453 N PHE A 33 -9.883 -2.445 6.538 1.00 0.00 N ATOM 454 CA PHE A 33 -9.648 -1.340 7.459 1.00 0.00 C ATOM 455 C PHE A 33 -10.953 -0.883 8.105 1.00 0.00 C ATOM 456 O PHE A 33 -12.035 -1.098 7.559 1.00 0.00 O ATOM 457 CB PHE A 33 -8.991 -0.168 6.726 1.00 0.00 C ATOM 458 CG PHE A 33 -7.548 -0.406 6.387 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.580 -0.404 7.378 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.159 -0.633 5.076 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.250 -0.623 7.069 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.831 -0.853 4.761 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.876 -0.847 5.758 1.00 0.00 C ATOM 0 H PHE A 33 -10.625 -2.278 5.859 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.978 -1.691 8.244 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.543 0.031 5.808 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.068 0.726 7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.868 -0.229 8.404 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.902 -0.638 4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.505 -0.619 7.851 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.541 -1.029 3.736 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.838 -1.017 5.513 1.00 0.00 H new ATOM 473 N GLN A 34 -10.841 -0.254 9.270 1.00 0.00 N ATOM 474 CA GLN A 34 -12.012 0.231 9.991 1.00 0.00 C ATOM 475 C GLN A 34 -11.722 1.570 10.662 1.00 0.00 C ATOM 476 O GLN A 34 -10.677 1.749 11.287 1.00 0.00 O ATOM 477 CB GLN A 34 -12.452 -0.793 11.039 1.00 0.00 C ATOM 478 CG GLN A 34 -11.371 -1.129 12.053 1.00 0.00 C ATOM 479 CD GLN A 34 -11.929 -1.760 13.314 1.00 0.00 C ATOM 480 OE1 GLN A 34 -13.093 -1.559 13.660 1.00 0.00 O ATOM 481 NE2 GLN A 34 -11.099 -2.530 14.008 1.00 0.00 N ATOM 0 H GLN A 34 -9.952 -0.068 9.735 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.818 0.373 9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.326 -0.409 11.566 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.761 -1.708 10.533 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.651 -1.810 11.599 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.829 -0.220 12.315 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.142 -2.669 13.684 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.419 -2.982 14.865 1.00 0.00 H new ATOM 490 N ASN A 35 -12.653 2.508 10.526 1.00 0.00 N ATOM 491 CA ASN A 35 -12.497 3.832 11.118 1.00 0.00 C ATOM 492 C ASN A 35 -12.407 3.740 12.639 1.00 0.00 C ATOM 493 O ASN A 35 -12.911 2.804 13.260 1.00 0.00 O ATOM 494 CB ASN A 35 -13.667 4.733 10.719 1.00 0.00 C ATOM 495 CG ASN A 35 -14.812 4.668 11.710 1.00 0.00 C ATOM 496 OD1 ASN A 35 -14.699 5.145 12.839 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.924 4.074 11.291 1.00 0.00 N ATOM 0 H ASN A 35 -13.524 2.376 10.011 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.570 4.264 10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.318 5.762 10.639 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.027 4.441 9.733 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.728 4.000 11.914 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.974 3.692 10.346 1.00 0.00 H new ATOM 504 N PRO A 36 -11.751 4.736 13.253 1.00 0.00 N ATOM 505 CA PRO A 36 -11.147 5.855 12.524 1.00 0.00 C ATOM 506 C PRO A 36 -9.932 5.427 11.708 1.00 0.00 C ATOM 507 O PRO A 36 -9.630 6.017 10.671 1.00 0.00 O ATOM 508 CB PRO A 36 -10.731 6.820 13.637 1.00 0.00 C ATOM 509 CG PRO A 36 -10.543 5.956 14.836 1.00 0.00 C ATOM 510 CD PRO A 36 -11.548 4.845 14.708 1.00 0.00 C ATOM 0 HA PRO A 36 -11.836 6.289 11.800 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.812 7.347 13.381 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.495 7.577 13.811 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.528 5.561 14.877 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.702 6.522 15.754 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.174 3.913 15.133 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.477 5.081 15.227 1.00 0.00 H new ATOM 518 N PHE A 37 -9.240 4.397 12.182 1.00 0.00 N ATOM 519 CA PHE A 37 -8.057 3.890 11.496 1.00 0.00 C ATOM 520 C PHE A 37 -8.219 3.995 9.983 1.00 0.00 C ATOM 521 O PHE A 37 -7.420 4.641 9.305 1.00 0.00 O ATOM 522 CB PHE A 37 -7.796 2.435 11.892 1.00 0.00 C ATOM 523 CG PHE A 37 -6.395 1.976 11.601 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.306 2.686 12.079 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.169 0.835 10.848 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.017 2.267 11.811 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.882 0.411 10.578 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.804 1.127 11.061 1.00 0.00 C ATOM 0 H PHE A 37 -9.478 3.897 13.038 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.205 4.500 11.796 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.995 2.315 12.957 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.498 1.791 11.362 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.466 3.577 12.668 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.008 0.271 10.468 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.176 2.831 12.188 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.719 -0.480 9.990 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.797 0.796 10.853 1.00 0.00 H new ATOM 538 N ARG A 38 -9.259 3.355 9.459 1.00 0.00 N ATOM 539 CA ARG A 38 -9.526 3.374 8.026 1.00 0.00 C ATOM 540 C ARG A 38 -9.318 4.773 7.453 1.00 0.00 C ATOM 541 O ARG A 38 -8.631 4.947 6.447 1.00 0.00 O ATOM 542 CB ARG A 38 -10.955 2.904 7.745 1.00 0.00 C ATOM 543 CG ARG A 38 -11.376 3.069 6.294 1.00 0.00 C ATOM 544 CD ARG A 38 -12.790 2.561 6.063 1.00 0.00 C ATOM 545 NE ARG A 38 -12.979 2.065 4.702 1.00 0.00 N ATOM 546 CZ ARG A 38 -12.568 0.871 4.292 1.00 0.00 C ATOM 547 NH1 ARG A 38 -11.949 0.053 5.133 1.00 0.00 N ATOM 548 NH2 ARG A 38 -12.776 0.491 3.037 1.00 0.00 N ATOM 0 H ARG A 38 -9.931 2.817 10.006 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.825 2.693 7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.044 1.854 8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.643 3.462 8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.316 4.121 6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.684 2.527 5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.009 1.763 6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.500 3.365 6.258 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.453 2.669 4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.787 0.341 6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.635 -0.864 4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.252 1.117 2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.460 -0.426 2.723 1.00 0.00 H new ATOM 562 N SER A 39 -9.916 5.768 8.101 1.00 0.00 N ATOM 563 CA SER A 39 -9.800 7.151 7.654 1.00 0.00 C ATOM 564 C SER A 39 -8.370 7.656 7.819 1.00 0.00 C ATOM 565 O SER A 39 -7.720 8.038 6.846 1.00 0.00 O ATOM 566 CB SER A 39 -10.763 8.045 8.438 1.00 0.00 C ATOM 567 OG SER A 39 -10.537 9.414 8.150 1.00 0.00 O ATOM 0 H SER A 39 -10.486 5.642 8.938 1.00 0.00 H new ATOM 0 HA SER A 39 -10.061 7.189 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.791 7.783 8.189 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.639 7.870 9.507 1.00 0.00 H new ATOM 0 HG SER A 39 -11.166 9.964 8.662 1.00 0.00 H new ATOM 573 N GLU A 40 -7.888 7.656 9.058 1.00 0.00 N ATOM 574 CA GLU A 40 -6.535 8.116 9.351 1.00 0.00 C ATOM 575 C GLU A 40 -5.544 7.577 8.324 1.00 0.00 C ATOM 576 O GLU A 40 -4.628 8.283 7.898 1.00 0.00 O ATOM 577 CB GLU A 40 -6.118 7.680 10.757 1.00 0.00 C ATOM 578 CG GLU A 40 -4.721 8.135 11.145 1.00 0.00 C ATOM 579 CD GLU A 40 -4.451 7.986 12.630 1.00 0.00 C ATOM 580 OE1 GLU A 40 -4.825 8.900 13.395 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.865 6.957 13.027 1.00 0.00 O ATOM 0 H GLU A 40 -8.413 7.343 9.874 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.529 9.205 9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.833 8.075 11.478 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.168 6.593 10.821 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.986 7.556 10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.590 9.178 10.858 1.00 0.00 H new ATOM 588 N LEU A 41 -5.732 6.322 7.931 1.00 0.00 N ATOM 589 CA LEU A 41 -4.854 5.687 6.954 1.00 0.00 C ATOM 590 C LEU A 41 -5.014 6.328 5.579 1.00 0.00 C ATOM 591 O LEU A 41 -4.036 6.754 4.964 1.00 0.00 O ATOM 592 CB LEU A 41 -5.152 4.189 6.869 1.00 0.00 C ATOM 593 CG LEU A 41 -4.404 3.416 5.782 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.904 3.628 5.913 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.744 1.934 5.852 1.00 0.00 C ATOM 0 H LEU A 41 -6.484 5.724 8.274 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.824 5.828 7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.919 3.737 7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.222 4.061 6.707 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.720 3.795 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.388 3.070 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.676 4.689 5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.571 3.277 6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.203 1.399 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.457 1.541 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.816 1.799 5.708 1.00 0.00 H new ATOM 607 N ARG A 42 -6.254 6.395 5.104 1.00 0.00 N ATOM 608 CA ARG A 42 -6.542 6.986 3.803 1.00 0.00 C ATOM 609 C ARG A 42 -5.872 8.349 3.664 1.00 0.00 C ATOM 610 O ARG A 42 -5.214 8.629 2.662 1.00 0.00 O ATOM 611 CB ARG A 42 -8.053 7.126 3.606 1.00 0.00 C ATOM 612 CG ARG A 42 -8.443 7.647 2.233 1.00 0.00 C ATOM 613 CD ARG A 42 -9.948 7.593 2.023 1.00 0.00 C ATOM 614 NE ARG A 42 -10.409 8.625 1.097 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.433 9.920 1.393 1.00 0.00 C ATOM 616 NH1 ARG A 42 -10.024 10.339 2.582 1.00 0.00 N ATOM 617 NH2 ARG A 42 -10.866 10.798 0.497 1.00 0.00 N ATOM 0 H ARG A 42 -7.074 6.047 5.601 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.142 6.324 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.523 6.155 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.449 7.799 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.096 8.674 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.946 7.056 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.225 6.611 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.452 7.715 2.982 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.730 8.335 0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.690 9.667 3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.043 11.334 2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.181 10.479 -0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.884 11.792 0.725 1.00 0.00 H new ATOM 631 N ASP A 43 -6.044 9.193 4.675 1.00 0.00 N ATOM 632 CA ASP A 43 -5.456 10.528 4.666 1.00 0.00 C ATOM 633 C ASP A 43 -3.975 10.466 4.304 1.00 0.00 C ATOM 634 O ASP A 43 -3.550 11.016 3.288 1.00 0.00 O ATOM 635 CB ASP A 43 -5.633 11.195 6.031 1.00 0.00 C ATOM 636 CG ASP A 43 -5.562 12.707 5.949 1.00 0.00 C ATOM 637 OD1 ASP A 43 -6.040 13.270 4.943 1.00 0.00 O ATOM 638 OD2 ASP A 43 -5.027 13.328 6.892 1.00 0.00 O ATOM 0 H ASP A 43 -6.586 8.977 5.512 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.972 11.121 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.594 10.902 6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.862 10.834 6.711 1.00 0.00 H new ATOM 643 N LYS A 44 -3.194 9.795 5.143 1.00 0.00 N ATOM 644 CA LYS A 44 -1.760 9.661 4.912 1.00 0.00 C ATOM 645 C LYS A 44 -1.474 9.310 3.456 1.00 0.00 C ATOM 646 O LYS A 44 -0.630 9.933 2.812 1.00 0.00 O ATOM 647 CB LYS A 44 -1.173 8.587 5.831 1.00 0.00 C ATOM 648 CG LYS A 44 -0.944 9.064 7.255 1.00 0.00 C ATOM 649 CD LYS A 44 -1.072 7.924 8.252 1.00 0.00 C ATOM 650 CE LYS A 44 -1.050 8.433 9.685 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.414 7.366 10.658 1.00 0.00 N ATOM 0 H LYS A 44 -3.529 9.335 5.989 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.290 10.619 5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.844 7.729 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.226 8.243 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.048 9.509 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.665 9.844 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.001 7.383 8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.257 7.216 8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.056 8.815 9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.744 9.268 9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.890 7.792 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.054 6.684 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.553 6.875 10.973 1.00 0.00 H new ATOM 665 N ALA A 45 -2.183 8.311 2.942 1.00 0.00 N ATOM 666 CA ALA A 45 -2.008 7.881 1.560 1.00 0.00 C ATOM 667 C ALA A 45 -2.188 9.047 0.595 1.00 0.00 C ATOM 668 O ALA A 45 -1.407 9.217 -0.342 1.00 0.00 O ATOM 669 CB ALA A 45 -2.984 6.762 1.228 1.00 0.00 C ATOM 0 H ALA A 45 -2.884 7.784 3.462 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.991 7.506 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.842 6.451 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.805 5.915 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.005 7.118 1.363 1.00 0.00 H new ATOM 675 N LEU A 46 -3.222 9.847 0.828 1.00 0.00 N ATOM 676 CA LEU A 46 -3.506 10.999 -0.022 1.00 0.00 C ATOM 677 C LEU A 46 -2.389 12.033 0.071 1.00 0.00 C ATOM 678 O LEU A 46 -1.953 12.581 -0.940 1.00 0.00 O ATOM 679 CB LEU A 46 -4.839 11.635 0.376 1.00 0.00 C ATOM 680 CG LEU A 46 -6.059 10.713 0.342 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.224 11.342 1.090 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.452 10.401 -1.095 1.00 0.00 C ATOM 0 H LEU A 46 -3.878 9.720 1.598 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.569 10.651 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.740 12.037 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.028 12.479 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.798 9.778 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.083 10.672 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.940 11.514 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.486 12.292 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.322 9.744 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.694 11.328 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.622 9.908 -1.600 1.00 0.00 H new ATOM 694 N GLU A 47 -1.928 12.291 1.291 1.00 0.00 N ATOM 695 CA GLU A 47 -0.860 13.259 1.515 1.00 0.00 C ATOM 696 C GLU A 47 0.362 12.926 0.664 1.00 0.00 C ATOM 697 O GLU A 47 0.958 13.806 0.041 1.00 0.00 O ATOM 698 CB GLU A 47 -0.472 13.290 2.994 1.00 0.00 C ATOM 699 CG GLU A 47 -1.286 14.275 3.817 1.00 0.00 C ATOM 700 CD GLU A 47 -2.780 14.099 3.625 1.00 0.00 C ATOM 701 OE1 GLU A 47 -3.306 14.580 2.599 1.00 0.00 O ATOM 702 OE2 GLU A 47 -3.422 13.483 4.500 1.00 0.00 O ATOM 0 H GLU A 47 -2.277 11.844 2.139 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.228 14.243 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.593 12.291 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.584 13.545 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.042 14.151 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.005 15.292 3.542 1.00 0.00 H new ATOM 709 N LEU A 48 0.731 11.650 0.642 1.00 0.00 N ATOM 710 CA LEU A 48 1.882 11.199 -0.132 1.00 0.00 C ATOM 711 C LEU A 48 1.691 11.495 -1.616 1.00 0.00 C ATOM 712 O LEU A 48 2.658 11.601 -2.369 1.00 0.00 O ATOM 713 CB LEU A 48 2.107 9.701 0.076 1.00 0.00 C ATOM 714 CG LEU A 48 2.293 9.244 1.523 1.00 0.00 C ATOM 715 CD1 LEU A 48 1.967 7.765 1.663 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.713 9.526 1.993 1.00 0.00 C ATOM 0 H LEU A 48 0.249 10.909 1.152 1.00 0.00 H new ATOM 0 HA LEU A 48 2.759 11.744 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.258 9.164 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.987 9.404 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 48 1.604 9.807 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.105 7.458 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.932 7.591 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.630 7.184 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.827 9.194 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.419 8.990 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.911 10.596 1.932 1.00 0.00 H new ATOM 728 N GLY A 49 0.434 11.630 -2.030 1.00 0.00 N ATOM 729 CA GLY A 49 0.138 11.915 -3.422 1.00 0.00 C ATOM 730 C GLY A 49 -0.436 10.715 -4.150 1.00 0.00 C ATOM 731 O GLY A 49 -0.418 10.660 -5.379 1.00 0.00 O ATOM 0 H GLY A 49 -0.384 11.547 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.569 12.742 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.049 12.240 -3.925 1.00 0.00 H new ATOM 735 N ALA A 50 -0.945 9.752 -3.390 1.00 0.00 N ATOM 736 CA ALA A 50 -1.527 8.548 -3.970 1.00 0.00 C ATOM 737 C ALA A 50 -3.044 8.664 -4.068 1.00 0.00 C ATOM 738 O ALA A 50 -3.674 9.384 -3.294 1.00 0.00 O ATOM 739 CB ALA A 50 -1.141 7.327 -3.148 1.00 0.00 C ATOM 0 H ALA A 50 -0.966 9.782 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.132 8.433 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.582 6.435 -3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.056 7.226 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.508 7.444 -2.128 1.00 0.00 H new ATOM 745 N LYS A 51 -3.626 7.951 -5.027 1.00 0.00 N ATOM 746 CA LYS A 51 -5.070 7.974 -5.228 1.00 0.00 C ATOM 747 C LYS A 51 -5.743 6.838 -4.463 1.00 0.00 C ATOM 748 O LYS A 51 -5.239 5.715 -4.429 1.00 0.00 O ATOM 749 CB LYS A 51 -5.400 7.865 -6.718 1.00 0.00 C ATOM 750 CG LYS A 51 -5.313 9.189 -7.458 1.00 0.00 C ATOM 751 CD LYS A 51 -3.875 9.663 -7.585 1.00 0.00 C ATOM 752 CE LYS A 51 -3.131 8.900 -8.670 1.00 0.00 C ATOM 753 NZ LYS A 51 -1.817 9.526 -8.987 1.00 0.00 N ATOM 0 H LYS A 51 -3.119 7.350 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.450 8.922 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.717 7.153 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.406 7.461 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.751 9.082 -8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.900 9.941 -6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.861 10.729 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.363 9.534 -6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.974 7.871 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.742 8.862 -9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.563 9.318 -9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.882 10.556 -8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.087 9.142 -8.353 1.00 0.00 H new ATOM 767 N TYR A 52 -6.884 7.137 -3.853 1.00 0.00 N ATOM 768 CA TYR A 52 -7.626 6.141 -3.088 1.00 0.00 C ATOM 769 C TYR A 52 -8.837 5.644 -3.872 1.00 0.00 C ATOM 770 O TYR A 52 -9.788 6.390 -4.106 1.00 0.00 O ATOM 771 CB TYR A 52 -8.076 6.727 -1.749 1.00 0.00 C ATOM 772 CG TYR A 52 -9.314 6.067 -1.184 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.237 4.839 -0.538 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.560 6.671 -1.297 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.365 4.232 -0.021 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.693 6.072 -0.782 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.591 4.852 -0.146 1.00 0.00 C ATOM 778 OH TYR A 52 -12.716 4.251 0.369 1.00 0.00 O ATOM 0 H TYR A 52 -7.316 8.061 -3.873 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.964 5.295 -2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.263 6.632 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.268 7.793 -1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.279 4.351 -0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.644 7.625 -1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.288 3.277 0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.654 6.556 -0.877 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.497 4.818 0.198 1.00 0.00 H new ATOM 788 N ARG A 53 -8.795 4.378 -4.273 1.00 0.00 N ATOM 789 CA ARG A 53 -9.887 3.779 -5.030 1.00 0.00 C ATOM 790 C ARG A 53 -10.721 2.857 -4.146 1.00 0.00 C ATOM 791 O ARG A 53 -10.209 2.187 -3.248 1.00 0.00 O ATOM 792 CB ARG A 53 -9.340 2.998 -6.226 1.00 0.00 C ATOM 793 CG ARG A 53 -8.605 3.866 -7.235 1.00 0.00 C ATOM 794 CD ARG A 53 -9.422 5.091 -7.616 1.00 0.00 C ATOM 795 NE ARG A 53 -8.908 5.739 -8.820 1.00 0.00 N ATOM 796 CZ ARG A 53 -9.235 5.367 -10.052 1.00 0.00 C ATOM 797 NH1 ARG A 53 -10.072 4.356 -10.243 1.00 0.00 N ATOM 798 NH2 ARG A 53 -8.726 6.007 -11.097 1.00 0.00 N ATOM 0 H ARG A 53 -8.016 3.747 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.527 4.584 -5.392 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.664 2.223 -5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.165 2.492 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.649 4.181 -6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.386 3.281 -8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.460 4.799 -7.776 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.415 5.803 -6.790 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.262 6.521 -8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.466 3.862 -9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.321 4.072 -11.191 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.083 6.786 -10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.978 5.720 -12.043 1.00 0.00 H new ATOM 812 N PRO A 54 -12.037 2.820 -4.403 1.00 0.00 N ATOM 813 CA PRO A 54 -12.969 1.984 -3.641 1.00 0.00 C ATOM 814 C PRO A 54 -12.774 0.498 -3.918 1.00 0.00 C ATOM 815 O PRO A 54 -12.967 -0.339 -3.036 1.00 0.00 O ATOM 816 CB PRO A 54 -14.343 2.445 -4.134 1.00 0.00 C ATOM 817 CG PRO A 54 -14.093 2.989 -5.498 1.00 0.00 C ATOM 818 CD PRO A 54 -12.716 3.592 -5.457 1.00 0.00 C ATOM 0 HA PRO A 54 -12.829 2.093 -2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.052 1.617 -4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.765 3.205 -3.476 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.152 2.201 -6.249 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.839 3.738 -5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.207 3.497 -6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.750 4.655 -5.218 1.00 0.00 H new ATOM 826 N ASP A 55 -12.390 0.176 -5.149 1.00 0.00 N ATOM 827 CA ASP A 55 -12.168 -1.211 -5.542 1.00 0.00 C ATOM 828 C ASP A 55 -10.904 -1.340 -6.387 1.00 0.00 C ATOM 829 O ASP A 55 -10.388 -0.349 -6.904 1.00 0.00 O ATOM 830 CB ASP A 55 -13.372 -1.742 -6.320 1.00 0.00 C ATOM 831 CG ASP A 55 -14.584 -1.957 -5.434 1.00 0.00 C ATOM 832 OD1 ASP A 55 -15.116 -0.958 -4.906 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.000 -3.123 -5.269 1.00 0.00 O ATOM 0 H ASP A 55 -12.226 0.856 -5.891 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.041 -1.804 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.626 -1.040 -7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.105 -2.683 -6.800 1.00 0.00 H new ATOM 838 N TRP A 56 -10.411 -2.565 -6.521 1.00 0.00 N ATOM 839 CA TRP A 56 -9.207 -2.823 -7.303 1.00 0.00 C ATOM 840 C TRP A 56 -9.437 -2.508 -8.777 1.00 0.00 C ATOM 841 O TRP A 56 -9.663 -3.408 -9.587 1.00 0.00 O ATOM 842 CB TRP A 56 -8.772 -4.281 -7.142 1.00 0.00 C ATOM 843 CG TRP A 56 -7.486 -4.598 -7.842 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.332 -5.344 -8.976 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.173 -4.180 -7.454 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.002 -5.414 -9.316 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.271 -4.708 -8.398 1.00 0.00 C ATOM 848 CE3 TRP A 56 -5.671 -3.409 -6.401 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -3.898 -4.490 -8.319 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.308 -3.194 -6.324 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.434 -3.732 -7.278 1.00 0.00 C ATOM 0 H TRP A 56 -10.826 -3.396 -6.099 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.416 -2.172 -6.931 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.665 -4.505 -6.081 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.557 -4.932 -7.527 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.137 -5.810 -9.525 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.621 -5.911 -10.121 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.336 -2.989 -5.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.223 -4.904 -9.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -3.909 -2.601 -5.514 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.374 -3.545 -7.190 1.00 0.00 H new ATOM 862 N THR A 57 -9.377 -1.225 -9.120 1.00 0.00 N ATOM 863 CA THR A 57 -9.580 -0.792 -10.497 1.00 0.00 C ATOM 864 C THR A 57 -8.294 -0.916 -11.307 1.00 0.00 C ATOM 865 O THR A 57 -7.198 -0.953 -10.747 1.00 0.00 O ATOM 866 CB THR A 57 -10.075 0.665 -10.560 1.00 0.00 C ATOM 867 OG1 THR A 57 -10.129 1.105 -11.922 1.00 0.00 O ATOM 868 CG2 THR A 57 -9.161 1.582 -9.761 1.00 0.00 C ATOM 0 H THR A 57 -9.189 -0.468 -8.463 1.00 0.00 H new ATOM 0 HA THR A 57 -10.340 -1.445 -10.925 1.00 0.00 H new ATOM 0 HB THR A 57 -11.074 0.706 -10.125 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.540 1.880 -12.039 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.531 2.606 -9.820 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.145 1.262 -8.719 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.152 1.536 -10.170 1.00 0.00 H new ATOM 876 N ARG A 58 -8.436 -0.978 -12.627 1.00 0.00 N ATOM 877 CA ARG A 58 -7.285 -1.098 -13.514 1.00 0.00 C ATOM 878 C ARG A 58 -6.275 0.015 -13.248 1.00 0.00 C ATOM 879 O ARG A 58 -5.094 -0.115 -13.570 1.00 0.00 O ATOM 880 CB ARG A 58 -7.734 -1.055 -14.975 1.00 0.00 C ATOM 881 CG ARG A 58 -8.138 0.332 -15.448 1.00 0.00 C ATOM 882 CD ARG A 58 -7.903 0.502 -16.941 1.00 0.00 C ATOM 883 NE ARG A 58 -9.071 0.114 -17.727 1.00 0.00 N ATOM 884 CZ ARG A 58 -9.035 -0.108 -19.036 1.00 0.00 C ATOM 885 NH1 ARG A 58 -7.896 0.018 -19.702 1.00 0.00 N ATOM 886 NH2 ARG A 58 -10.140 -0.458 -19.681 1.00 0.00 N ATOM 0 H ARG A 58 -9.336 -0.947 -13.106 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.804 -2.056 -13.317 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.925 -1.423 -15.606 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.576 -1.734 -15.108 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.191 0.502 -15.223 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.569 1.084 -14.901 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.653 1.542 -17.152 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.046 -0.100 -17.244 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.963 0.008 -17.244 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.044 0.286 -19.209 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.871 -0.153 -20.707 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.018 -0.557 -19.172 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.111 -0.628 -20.686 1.00 0.00 H new ATOM 900 N ASP A 59 -6.749 1.107 -12.658 1.00 0.00 N ATOM 901 CA ASP A 59 -5.888 2.243 -12.348 1.00 0.00 C ATOM 902 C ASP A 59 -5.081 1.983 -11.080 1.00 0.00 C ATOM 903 O ASP A 59 -4.023 2.577 -10.873 1.00 0.00 O ATOM 904 CB ASP A 59 -6.723 3.514 -12.185 1.00 0.00 C ATOM 905 CG ASP A 59 -7.828 3.616 -13.217 1.00 0.00 C ATOM 906 OD1 ASP A 59 -8.638 2.671 -13.314 1.00 0.00 O ATOM 907 OD2 ASP A 59 -7.883 4.642 -13.928 1.00 0.00 O ATOM 0 H ASP A 59 -7.724 1.230 -12.385 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.194 2.378 -13.177 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.159 3.533 -11.186 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.073 4.385 -12.265 1.00 0.00 H new ATOM 912 N SER A 60 -5.588 1.091 -10.235 1.00 0.00 N ATOM 913 CA SER A 60 -4.917 0.756 -8.984 1.00 0.00 C ATOM 914 C SER A 60 -3.650 -0.052 -9.247 1.00 0.00 C ATOM 915 O SER A 60 -3.680 -1.070 -9.939 1.00 0.00 O ATOM 916 CB SER A 60 -5.858 -0.033 -8.071 1.00 0.00 C ATOM 917 OG SER A 60 -6.612 0.836 -7.244 1.00 0.00 O ATOM 0 H SER A 60 -6.461 0.587 -10.394 1.00 0.00 H new ATOM 0 HA SER A 60 -4.638 1.686 -8.490 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.532 -0.641 -8.675 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.279 -0.718 -7.452 1.00 0.00 H new ATOM 0 HG SER A 60 -7.532 0.506 -7.176 1.00 0.00 H new ATOM 923 N THR A 61 -2.535 0.410 -8.689 1.00 0.00 N ATOM 924 CA THR A 61 -1.256 -0.268 -8.863 1.00 0.00 C ATOM 925 C THR A 61 -0.876 -1.054 -7.614 1.00 0.00 C ATOM 926 O THR A 61 -0.484 -2.215 -7.730 1.00 0.00 O ATOM 927 CB THR A 61 -0.130 0.732 -9.189 1.00 0.00 C ATOM 928 OG1 THR A 61 0.014 1.672 -8.118 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.423 1.473 -10.485 1.00 0.00 C ATOM 0 H THR A 61 -2.492 1.251 -8.113 1.00 0.00 H new ATOM 0 HA THR A 61 -1.374 -0.956 -9.700 1.00 0.00 H new ATOM 0 HB THR A 61 0.799 0.174 -9.310 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.493 1.250 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.386 2.173 -10.695 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.504 0.757 -11.303 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.361 2.020 -10.387 1.00 0.00 H new ATOM 937 N HIS A 62 -0.998 -0.415 -6.460 1.00 0.00 N ATOM 938 CA HIS A 62 -0.665 -1.066 -5.205 1.00 0.00 C ATOM 939 C HIS A 62 -1.945 -1.331 -4.409 1.00 0.00 C ATOM 940 O HIS A 62 -2.934 -0.602 -4.500 1.00 0.00 O ATOM 941 CB HIS A 62 0.361 -0.245 -4.422 1.00 0.00 C ATOM 942 CG HIS A 62 1.600 0.103 -5.211 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.632 1.124 -6.145 1.00 0.00 N ATOM 944 CD2 HIS A 62 2.850 -0.444 -5.196 1.00 0.00 C ATOM 945 CE1 HIS A 62 2.850 1.179 -6.663 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.603 0.206 -6.073 1.00 0.00 N ATOM 0 H HIS A 62 -1.323 0.547 -6.368 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.196 -2.030 -5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.111 0.676 -4.081 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.654 -0.802 -3.532 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.172 -1.267 -4.575 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.188 1.872 -7.419 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.584 0.011 -6.274 1.00 0.00 H new ATOM 954 N LEU A 63 -1.904 -2.398 -3.619 1.00 0.00 N ATOM 955 CA LEU A 63 -3.045 -2.785 -2.795 1.00 0.00 C ATOM 956 C LEU A 63 -2.671 -2.790 -1.316 1.00 0.00 C ATOM 957 O LEU A 63 -1.825 -3.573 -0.883 1.00 0.00 O ATOM 958 CB LEU A 63 -3.554 -4.166 -3.210 1.00 0.00 C ATOM 959 CG LEU A 63 -4.513 -4.849 -2.234 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.901 -4.235 -2.333 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.570 -6.346 -2.501 1.00 0.00 C ATOM 0 H LEU A 63 -1.093 -3.011 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.838 -2.053 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.054 -4.072 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.694 -4.818 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.141 -4.695 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.570 -4.733 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.847 -3.173 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.282 -4.358 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.257 -6.815 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.918 -6.521 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.576 -6.776 -2.378 1.00 0.00 H new ATOM 973 N ILE A 64 -3.308 -1.914 -0.547 1.00 0.00 N ATOM 974 CA ILE A 64 -3.045 -1.821 0.883 1.00 0.00 C ATOM 975 C ILE A 64 -3.866 -2.844 1.661 1.00 0.00 C ATOM 976 O ILE A 64 -5.033 -2.609 1.976 1.00 0.00 O ATOM 977 CB ILE A 64 -3.357 -0.413 1.423 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.745 0.653 0.511 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.838 -0.263 2.845 1.00 0.00 C ATOM 980 CD1 ILE A 64 -1.233 0.683 0.547 1.00 0.00 C ATOM 0 H ILE A 64 -4.010 -1.259 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.984 -2.028 1.022 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.438 -0.276 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.073 0.475 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.127 1.632 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.066 0.738 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.316 -1.003 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.759 -0.416 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.868 1.462 -0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.897 0.892 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.842 -0.283 0.227 1.00 0.00 H new ATOM 992 N CYS A 65 -3.248 -3.979 1.969 1.00 0.00 N ATOM 993 CA CYS A 65 -3.920 -5.039 2.712 1.00 0.00 C ATOM 994 C CYS A 65 -3.542 -4.993 4.189 1.00 0.00 C ATOM 995 O CYS A 65 -2.399 -5.267 4.555 1.00 0.00 O ATOM 996 CB CYS A 65 -3.566 -6.406 2.124 1.00 0.00 C ATOM 997 SG CYS A 65 -4.573 -7.766 2.761 1.00 0.00 S ATOM 0 H CYS A 65 -2.282 -4.189 1.716 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.995 -4.883 2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.676 -6.363 1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.517 -6.618 2.330 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.440 -7.837 4.052 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.508 -4.643 5.031 1.00 0.00 N ATOM 1004 CA ALA A 66 -4.276 -4.561 6.468 1.00 0.00 C ATOM 1005 C ALA A 66 -3.628 -5.838 6.993 1.00 0.00 C ATOM 1006 O ALA A 66 -2.712 -5.789 7.814 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.582 -4.290 7.199 1.00 0.00 C ATOM 0 H ALA A 66 -5.459 -4.412 4.743 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.591 -3.734 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.394 -4.231 8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.004 -3.347 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.286 -5.098 6.998 1.00 0.00 H new ATOM 1013 N PHE A 67 -4.110 -6.980 6.515 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.579 -8.271 6.938 1.00 0.00 C ATOM 1015 C PHE A 67 -3.876 -9.348 5.899 1.00 0.00 C ATOM 1016 O PHE A 67 -4.903 -9.306 5.222 1.00 0.00 O ATOM 1017 CB PHE A 67 -4.174 -8.673 8.289 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.633 -8.342 8.424 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -6.039 -7.055 8.737 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -6.598 -9.319 8.239 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.381 -6.747 8.862 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -7.941 -9.017 8.362 1.00 0.00 C ATOM 1023 CZ PHE A 67 -8.333 -7.730 8.675 1.00 0.00 C ATOM 0 H PHE A 67 -4.867 -7.038 5.834 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.498 -8.176 7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.038 -9.745 8.432 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.621 -8.173 9.084 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.298 -6.283 8.885 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.297 -10.327 7.996 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.684 -5.739 9.105 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.684 -9.787 8.213 1.00 0.00 H new ATOM 0 HZ PHE A 67 -9.382 -7.493 8.773 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.968 -10.311 5.778 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.132 -11.400 4.823 1.00 0.00 C ATOM 1035 C ALA A 68 -4.358 -12.243 5.157 1.00 0.00 C ATOM 1036 O ALA A 68 -5.080 -11.955 6.110 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.883 -12.269 4.794 1.00 0.00 C ATOM 0 H ALA A 68 -2.111 -10.359 6.329 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.281 -10.965 3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.019 -13.078 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.025 -11.664 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.708 -12.688 5.785 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.587 -13.285 4.364 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.728 -14.169 4.576 1.00 0.00 C ATOM 1045 C ASN A 69 -7.038 -13.452 4.264 1.00 0.00 C ATOM 1046 O ASN A 69 -8.067 -13.718 4.885 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.743 -14.680 6.018 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.389 -15.199 6.462 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -3.711 -14.575 7.279 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -3.990 -16.346 5.925 1.00 0.00 N ATOM 0 H ASN A 69 -3.999 -13.538 3.570 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.629 -15.017 3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.056 -13.875 6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.482 -15.476 6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.088 -16.745 6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.585 -16.828 5.252 1.00 0.00 H new ATOM 1057 N THR A 70 -6.992 -12.541 3.297 1.00 0.00 N ATOM 1058 CA THR A 70 -8.174 -11.785 2.902 1.00 0.00 C ATOM 1059 C THR A 70 -8.627 -12.166 1.498 1.00 0.00 C ATOM 1060 O THR A 70 -7.847 -12.653 0.678 1.00 0.00 O ATOM 1061 CB THR A 70 -7.912 -10.268 2.951 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.606 -9.979 2.440 1.00 0.00 O ATOM 1063 CG2 THR A 70 -8.032 -9.743 4.374 1.00 0.00 C ATOM 0 H THR A 70 -6.148 -12.309 2.773 1.00 0.00 H new ATOM 0 HA THR A 70 -8.961 -12.034 3.614 1.00 0.00 H new ATOM 0 HB THR A 70 -8.661 -9.773 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.297 -9.120 2.798 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.843 -8.670 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.036 -9.938 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.303 -10.245 5.010 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.917 -11.941 1.210 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.503 -12.252 -0.098 1.00 0.00 C ATOM 1073 C PRO A 71 -9.994 -11.326 -1.197 1.00 0.00 C ATOM 1074 O PRO A 71 -10.118 -11.627 -2.384 1.00 0.00 O ATOM 1075 CB PRO A 71 -12.002 -12.043 0.127 1.00 0.00 C ATOM 1076 CG PRO A 71 -12.085 -11.073 1.254 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.904 -11.363 2.138 1.00 0.00 C ATOM 0 HA PRO A 71 -10.244 -13.257 -0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.486 -11.652 -0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.500 -12.981 0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.056 -10.047 0.888 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.020 -11.190 1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.526 -10.458 2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.161 -12.059 2.936 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.421 -10.197 -0.794 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.891 -9.226 -1.744 1.00 0.00 C ATOM 1087 C LYS A 72 -7.398 -9.441 -1.966 1.00 0.00 C ATOM 1088 O LYS A 72 -6.850 -9.046 -2.995 1.00 0.00 O ATOM 1089 CB LYS A 72 -9.144 -7.802 -1.243 1.00 0.00 C ATOM 1090 CG LYS A 72 -10.538 -7.286 -1.555 1.00 0.00 C ATOM 1091 CD LYS A 72 -10.590 -6.603 -2.911 1.00 0.00 C ATOM 1092 CE LYS A 72 -11.776 -5.655 -3.012 1.00 0.00 C ATOM 1093 NZ LYS A 72 -13.012 -6.358 -3.455 1.00 0.00 N ATOM 0 H LYS A 72 -9.312 -9.932 0.185 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.405 -9.367 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.988 -7.772 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.409 -7.133 -1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.246 -8.115 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.849 -6.584 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.665 -6.050 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.656 -7.356 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.951 -5.188 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.542 -4.854 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.797 -5.678 -3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.853 -6.782 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.250 -7.105 -2.772 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.744 -10.069 -0.994 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.314 -10.335 -1.083 1.00 0.00 C ATOM 1109 C TYR A 73 -5.028 -11.443 -2.092 1.00 0.00 C ATOM 1110 O TYR A 73 -4.073 -11.363 -2.865 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.760 -10.724 0.288 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.505 -11.565 0.218 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -3.578 -12.950 0.139 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -2.247 -10.975 0.233 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -2.434 -13.723 0.076 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -1.099 -11.740 0.169 1.00 0.00 C ATOM 1117 CZ TYR A 73 -1.198 -13.113 0.090 1.00 0.00 C ATOM 1118 OH TYR A 73 -0.056 -13.879 0.027 1.00 0.00 O ATOM 0 H TYR A 73 -7.182 -10.403 -0.136 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.821 -9.424 -1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.549 -9.818 0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.525 -11.273 0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.545 -13.431 0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.166 -9.900 0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.508 -14.799 0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.129 -11.265 0.181 1.00 0.00 H new ATOM 0 HH TYR A 73 0.731 -13.295 0.046 1.00 0.00 H new ATOM 1128 N SER A 74 -5.863 -12.477 -2.079 1.00 0.00 N ATOM 1129 CA SER A 74 -5.699 -13.604 -2.990 1.00 0.00 C ATOM 1130 C SER A 74 -6.250 -13.269 -4.373 1.00 0.00 C ATOM 1131 O SER A 74 -5.921 -13.927 -5.359 1.00 0.00 O ATOM 1132 CB SER A 74 -6.405 -14.843 -2.434 1.00 0.00 C ATOM 1133 OG SER A 74 -6.103 -15.991 -3.208 1.00 0.00 O ATOM 0 H SER A 74 -6.660 -12.558 -1.448 1.00 0.00 H new ATOM 0 HA SER A 74 -4.633 -13.812 -3.083 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.100 -15.006 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.483 -14.679 -2.426 1.00 0.00 H new ATOM 0 HG SER A 74 -6.564 -16.770 -2.832 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.090 -12.241 -4.435 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.687 -11.818 -5.696 1.00 0.00 C ATOM 1141 C GLN A 75 -6.704 -10.984 -6.511 1.00 0.00 C ATOM 1142 O GLN A 75 -6.465 -11.260 -7.687 1.00 0.00 O ATOM 1143 CB GLN A 75 -8.963 -11.016 -5.437 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.931 -11.018 -6.610 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.677 -12.330 -6.748 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -10.418 -13.111 -7.664 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.611 -12.580 -5.837 1.00 0.00 N ATOM 0 H GLN A 75 -7.372 -11.686 -3.627 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.938 -12.711 -6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.467 -11.423 -4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.694 -9.987 -5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.649 -10.207 -6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.382 -10.818 -7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.793 -11.905 -5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.146 -13.447 -5.880 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.138 -9.961 -5.879 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.181 -9.086 -6.545 1.00 0.00 C ATOM 1158 C VAL A 76 -3.846 -9.792 -6.758 1.00 0.00 C ATOM 1159 O VAL A 76 -3.006 -9.335 -7.534 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.943 -7.796 -5.738 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -4.042 -6.842 -6.507 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.268 -7.131 -5.395 1.00 0.00 C ATOM 0 H VAL A 76 -6.326 -9.718 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.610 -8.827 -7.513 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.442 -8.059 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.886 -5.937 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.082 -7.322 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.512 -6.583 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.082 -6.221 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.798 -6.881 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.875 -7.814 -4.800 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.657 -10.909 -6.064 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.424 -11.680 -6.177 1.00 0.00 C ATOM 1174 C LEU A 77 -2.345 -12.385 -7.527 1.00 0.00 C ATOM 1175 O LEU A 77 -1.298 -12.392 -8.174 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.337 -12.708 -5.047 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.165 -13.687 -5.120 1.00 0.00 C ATOM 1178 CD1 LEU A 77 0.144 -12.977 -4.816 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.380 -14.847 -4.159 1.00 0.00 C ATOM 0 H LEU A 77 -4.342 -11.301 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.584 -10.990 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.279 -12.173 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.264 -13.282 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.111 -14.085 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.966 -13.690 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.303 -12.181 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.102 -12.550 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.536 -15.534 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.460 -14.466 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.298 -15.373 -4.423 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.459 -12.975 -7.948 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.495 -13.672 -9.221 1.00 0.00 C ATOM 1193 C GLY A 78 -3.518 -12.722 -10.402 1.00 0.00 C ATOM 1194 O GLY A 78 -2.921 -13.000 -11.443 1.00 0.00 O ATOM 0 H GLY A 78 -4.338 -12.983 -7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.625 -14.323 -9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.377 -14.312 -9.256 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.209 -11.599 -10.242 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.309 -10.605 -11.305 1.00 0.00 C ATOM 1200 C LEU A 79 -2.931 -10.070 -11.682 1.00 0.00 C ATOM 1201 O LEU A 79 -2.627 -9.886 -12.860 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.214 -9.451 -10.868 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.707 -9.768 -10.773 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.390 -8.832 -9.788 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.361 -9.672 -12.144 1.00 0.00 C ATOM 0 H LEU A 79 -4.708 -11.354 -9.387 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.743 -11.088 -12.180 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.875 -9.099 -9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.082 -8.627 -11.569 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.819 -10.789 -10.410 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.452 -9.073 -9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.940 -8.950 -8.802 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.268 -7.801 -10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.423 -9.901 -12.057 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.238 -8.662 -12.536 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.891 -10.384 -12.822 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.101 -9.825 -10.674 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.764 -9.316 -10.920 1.00 0.00 C ATOM 1219 C GLY A 80 -0.548 -7.940 -10.323 1.00 0.00 C ATOM 1220 O GLY A 80 0.153 -7.109 -10.899 1.00 0.00 O ATOM 0 H GLY A 80 -2.330 -9.970 -9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.033 -10.008 -10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.587 -9.274 -11.995 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.155 -7.696 -9.165 1.00 0.00 N ATOM 1225 CA GLY A 81 -1.015 -6.409 -8.511 1.00 0.00 C ATOM 1226 C GLY A 81 0.044 -6.423 -7.426 1.00 0.00 C ATOM 1227 O GLY A 81 0.425 -7.485 -6.934 1.00 0.00 O ATOM 0 H GLY A 81 -1.741 -8.367 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.760 -5.653 -9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.972 -6.119 -8.077 1.00 0.00 H new ATOM 1231 N ARG A 82 0.521 -5.240 -7.052 1.00 0.00 N ATOM 1232 CA ARG A 82 1.544 -5.120 -6.021 1.00 0.00 C ATOM 1233 C ARG A 82 0.916 -5.112 -4.630 1.00 0.00 C ATOM 1234 O ARG A 82 0.425 -4.082 -4.166 1.00 0.00 O ATOM 1235 CB ARG A 82 2.363 -3.845 -6.230 1.00 0.00 C ATOM 1236 CG ARG A 82 3.797 -3.954 -5.738 1.00 0.00 C ATOM 1237 CD ARG A 82 4.688 -4.634 -6.766 1.00 0.00 C ATOM 1238 NE ARG A 82 4.185 -5.954 -7.139 1.00 0.00 N ATOM 1239 CZ ARG A 82 3.400 -6.172 -8.188 1.00 0.00 C ATOM 1240 NH1 ARG A 82 3.032 -5.163 -8.966 1.00 0.00 N ATOM 1241 NH2 ARG A 82 2.984 -7.402 -8.463 1.00 0.00 N ATOM 0 H ARG A 82 0.215 -4.351 -7.448 1.00 0.00 H new ATOM 0 HA ARG A 82 2.204 -5.984 -6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.370 -3.598 -7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.873 -3.020 -5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.185 -2.959 -5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.821 -4.517 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.758 -4.008 -7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.697 -4.731 -6.364 1.00 0.00 H new ATOM 0 HE ARG A 82 4.451 -6.752 -6.562 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.352 -4.217 -8.759 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.429 -5.333 -9.771 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.267 -8.181 -7.868 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.381 -7.568 -9.269 1.00 0.00 H new ATOM 1255 N ILE A 83 0.935 -6.266 -3.971 1.00 0.00 N ATOM 1256 CA ILE A 83 0.368 -6.391 -2.634 1.00 0.00 C ATOM 1257 C ILE A 83 1.408 -6.079 -1.564 1.00 0.00 C ATOM 1258 O ILE A 83 2.356 -6.839 -1.364 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.195 -7.804 -2.391 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.144 -8.200 -3.523 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.907 -7.866 -1.048 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.556 -9.655 -3.484 1.00 0.00 C ATOM 0 H ILE A 83 1.337 -7.127 -4.341 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.445 -5.668 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 83 0.634 -8.512 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.037 -7.576 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.663 -7.992 -4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.300 -8.871 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.204 -7.622 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.729 -7.150 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.229 -9.865 -4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.671 -10.286 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.066 -9.864 -2.543 1.00 0.00 H new ATOM 1274 N VAL A 84 1.225 -4.956 -0.877 1.00 0.00 N ATOM 1275 CA VAL A 84 2.146 -4.544 0.175 1.00 0.00 C ATOM 1276 C VAL A 84 1.400 -4.241 1.470 1.00 0.00 C ATOM 1277 O VAL A 84 0.230 -3.861 1.450 1.00 0.00 O ATOM 1278 CB VAL A 84 2.954 -3.301 -0.242 1.00 0.00 C ATOM 1279 CG1 VAL A 84 4.004 -3.670 -1.279 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.028 -2.216 -0.770 1.00 0.00 C ATOM 0 H VAL A 84 0.447 -4.315 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 84 2.832 -5.375 0.340 1.00 0.00 H new ATOM 0 HB VAL A 84 3.468 -2.911 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.565 -2.779 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.685 -4.410 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.515 -4.085 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.616 -1.345 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.484 -2.592 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.319 -1.932 0.008 1.00 0.00 H new ATOM 1290 N ARG A 85 2.087 -4.411 2.595 1.00 0.00 N ATOM 1291 CA ARG A 85 1.490 -4.157 3.901 1.00 0.00 C ATOM 1292 C ARG A 85 1.339 -2.658 4.147 1.00 0.00 C ATOM 1293 O ARG A 85 2.116 -1.852 3.634 1.00 0.00 O ATOM 1294 CB ARG A 85 2.343 -4.782 5.006 1.00 0.00 C ATOM 1295 CG ARG A 85 2.248 -6.298 5.064 1.00 0.00 C ATOM 1296 CD ARG A 85 3.241 -6.881 6.058 1.00 0.00 C ATOM 1297 NE ARG A 85 2.773 -8.144 6.621 1.00 0.00 N ATOM 1298 CZ ARG A 85 1.691 -8.253 7.384 1.00 0.00 C ATOM 1299 NH1 ARG A 85 0.968 -7.180 7.672 1.00 0.00 N ATOM 1300 NH2 ARG A 85 1.330 -9.438 7.860 1.00 0.00 N ATOM 0 H ARG A 85 3.057 -4.724 2.628 1.00 0.00 H new ATOM 0 HA ARG A 85 0.500 -4.612 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.384 -4.497 4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.036 -4.370 5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.236 -6.590 5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.436 -6.714 4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.200 -7.038 5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.411 -6.166 6.863 1.00 0.00 H new ATOM 0 HE ARG A 85 3.306 -8.989 6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.242 -6.268 7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.138 -7.267 8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.883 -10.266 7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.499 -9.521 8.446 1.00 0.00 H new ATOM 1314 N LYS A 86 0.334 -2.292 4.934 1.00 0.00 N ATOM 1315 CA LYS A 86 0.080 -0.891 5.250 1.00 0.00 C ATOM 1316 C LYS A 86 1.351 -0.204 5.739 1.00 0.00 C ATOM 1317 O LYS A 86 1.506 1.008 5.596 1.00 0.00 O ATOM 1318 CB LYS A 86 -1.015 -0.777 6.313 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.622 -1.367 7.656 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.636 -1.023 8.734 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.466 -1.905 9.962 1.00 0.00 C ATOM 1322 NZ LYS A 86 -1.862 -3.315 9.691 1.00 0.00 N ATOM 0 H LYS A 86 -0.319 -2.946 5.365 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.253 -0.394 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.271 0.274 6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.913 -1.280 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.537 -2.450 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.360 -0.992 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.525 0.023 9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.644 -1.141 8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.427 -1.876 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.068 -1.509 10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.027 -3.809 10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.734 -3.328 9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.102 -3.794 9.167 1.00 0.00 H new ATOM 1336 N GLU A 87 2.258 -0.988 6.313 1.00 0.00 N ATOM 1337 CA GLU A 87 3.516 -0.453 6.822 1.00 0.00 C ATOM 1338 C GLU A 87 4.161 0.483 5.804 1.00 0.00 C ATOM 1339 O GLU A 87 4.637 1.563 6.153 1.00 0.00 O ATOM 1340 CB GLU A 87 4.479 -1.593 7.164 1.00 0.00 C ATOM 1341 CG GLU A 87 3.966 -2.515 8.256 1.00 0.00 C ATOM 1342 CD GLU A 87 4.178 -1.948 9.647 1.00 0.00 C ATOM 1343 OE1 GLU A 87 5.145 -1.182 9.834 1.00 0.00 O ATOM 1344 OE2 GLU A 87 3.374 -2.271 10.547 1.00 0.00 O ATOM 0 H GLU A 87 2.146 -1.994 6.437 1.00 0.00 H new ATOM 0 HA GLU A 87 3.300 0.115 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.669 -2.179 6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.434 -1.170 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.903 -2.699 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.471 -3.478 8.180 1.00 0.00 H new ATOM 1351 N TRP A 88 4.172 0.060 4.545 1.00 0.00 N ATOM 1352 CA TRP A 88 4.758 0.861 3.475 1.00 0.00 C ATOM 1353 C TRP A 88 4.288 2.308 3.558 1.00 0.00 C ATOM 1354 O TRP A 88 5.090 3.238 3.474 1.00 0.00 O ATOM 1355 CB TRP A 88 4.396 0.270 2.112 1.00 0.00 C ATOM 1356 CG TRP A 88 4.969 1.040 0.960 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.291 1.255 0.694 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.236 1.699 -0.079 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.425 2.007 -0.448 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.179 2.292 -0.942 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.876 1.844 -0.366 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.803 3.018 -2.068 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.505 2.565 -1.485 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.465 3.144 -2.325 1.00 0.00 C ATOM 0 H TRP A 88 3.782 -0.832 4.240 1.00 0.00 H new ATOM 0 HA TRP A 88 5.841 0.845 3.594 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.751 -0.759 2.064 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.311 0.238 2.014 1.00 0.00 H new ATOM 0 HD1 TRP A 88 7.111 0.888 1.293 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.309 2.305 -0.861 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.128 1.401 0.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.541 3.466 -2.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.457 2.684 -1.716 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.143 3.701 -3.192 1.00 0.00 H new ATOM 1375 N VAL A 89 2.981 2.493 3.723 1.00 0.00 N ATOM 1376 CA VAL A 89 2.404 3.828 3.818 1.00 0.00 C ATOM 1377 C VAL A 89 2.809 4.510 5.120 1.00 0.00 C ATOM 1378 O VAL A 89 3.420 5.580 5.110 1.00 0.00 O ATOM 1379 CB VAL A 89 0.867 3.783 3.731 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.282 5.178 3.890 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.426 3.157 2.417 1.00 0.00 C ATOM 0 H VAL A 89 2.303 1.735 3.794 1.00 0.00 H new ATOM 0 HA VAL A 89 2.791 4.401 2.975 1.00 0.00 H new ATOM 0 HB VAL A 89 0.492 3.163 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.805 5.126 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.569 5.585 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.662 5.824 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.663 3.133 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.810 3.748 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.814 2.141 2.350 1.00 0.00 H new ATOM 1391 N LEU A 90 2.465 3.885 6.241 1.00 0.00 N ATOM 1392 CA LEU A 90 2.793 4.431 7.553 1.00 0.00 C ATOM 1393 C LEU A 90 4.228 4.946 7.585 1.00 0.00 C ATOM 1394 O LEU A 90 4.490 6.055 8.053 1.00 0.00 O ATOM 1395 CB LEU A 90 2.596 3.367 8.634 1.00 0.00 C ATOM 1396 CG LEU A 90 1.167 2.859 8.824 1.00 0.00 C ATOM 1397 CD1 LEU A 90 1.167 1.521 9.547 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.335 3.880 9.587 1.00 0.00 C ATOM 0 H LEU A 90 1.959 3.000 6.267 1.00 0.00 H new ATOM 0 HA LEU A 90 2.122 5.267 7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.234 2.516 8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.945 3.773 9.583 1.00 0.00 H new ATOM 0 HG LEU A 90 0.719 2.717 7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.141 1.176 9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.726 0.791 8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.634 1.636 10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.679 3.502 9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.781 4.055 10.566 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.306 4.816 9.029 1.00 0.00 H new ATOM 1410 N ASP A 91 5.154 4.135 7.084 1.00 0.00 N ATOM 1411 CA ASP A 91 6.562 4.510 7.052 1.00 0.00 C ATOM 1412 C ASP A 91 6.794 5.673 6.092 1.00 0.00 C ATOM 1413 O ASP A 91 7.404 6.679 6.456 1.00 0.00 O ATOM 1414 CB ASP A 91 7.421 3.314 6.641 1.00 0.00 C ATOM 1415 CG ASP A 91 7.400 2.203 7.672 1.00 0.00 C ATOM 1416 OD1 ASP A 91 7.800 2.458 8.827 1.00 0.00 O ATOM 1417 OD2 ASP A 91 6.982 1.079 7.324 1.00 0.00 O ATOM 0 H ASP A 91 4.954 3.214 6.695 1.00 0.00 H new ATOM 0 HA ASP A 91 6.850 4.827 8.054 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.065 2.926 5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.448 3.644 6.488 1.00 0.00 H new ATOM 1422 N CYS A 92 6.305 5.527 4.866 1.00 0.00 N ATOM 1423 CA CYS A 92 6.460 6.565 3.853 1.00 0.00 C ATOM 1424 C CYS A 92 6.103 7.935 4.418 1.00 0.00 C ATOM 1425 O CYS A 92 6.896 8.866 4.288 1.00 0.00 O ATOM 1426 CB CYS A 92 5.583 6.256 2.639 1.00 0.00 C ATOM 1427 SG CYS A 92 6.246 4.968 1.557 1.00 0.00 S ATOM 0 H CYS A 92 5.798 4.701 4.549 1.00 0.00 H new ATOM 0 HA CYS A 92 7.505 6.582 3.543 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.596 5.951 2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.449 7.169 2.059 1.00 0.00 H new ATOM 0 HG CYS A 92 5.939 3.799 2.035 1.00 0.00 H new ATOM 1433 N HIS A 93 4.929 8.029 5.026 1.00 0.00 N ATOM 1434 CA HIS A 93 4.482 9.286 5.601 1.00 0.00 C ATOM 1435 C HIS A 93 5.379 9.656 6.785 1.00 0.00 C ATOM 1436 O HIS A 93 5.921 10.758 6.873 1.00 0.00 O ATOM 1437 CB HIS A 93 3.001 9.215 5.979 1.00 0.00 C ATOM 1438 CG HIS A 93 2.369 10.562 6.240 1.00 0.00 C ATOM 1439 ND1 HIS A 93 2.129 11.042 7.516 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.932 11.524 5.378 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.571 12.239 7.414 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.449 12.536 6.088 1.00 0.00 N ATOM 0 H HIS A 93 4.274 7.255 5.133 1.00 0.00 H new ATOM 0 HA HIS A 93 4.570 10.081 4.860 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.455 8.718 5.177 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.893 8.596 6.869 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.972 11.471 4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.266 12.869 8.236 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.052 13.394 5.705 1.00 0.00 H new ATOM 1450 N ARG A 94 5.524 8.702 7.698 1.00 0.00 N ATOM 1451 CA ARG A 94 6.346 8.901 8.886 1.00 0.00 C ATOM 1452 C ARG A 94 7.654 9.603 8.531 1.00 0.00 C ATOM 1453 O ARG A 94 7.960 10.671 9.060 1.00 0.00 O ATOM 1454 CB ARG A 94 6.642 7.559 9.558 1.00 0.00 C ATOM 1455 CG ARG A 94 7.334 7.691 10.905 1.00 0.00 C ATOM 1456 CD ARG A 94 8.846 7.723 10.754 1.00 0.00 C ATOM 1457 NE ARG A 94 9.376 6.446 10.282 1.00 0.00 N ATOM 1458 CZ ARG A 94 10.660 6.112 10.352 1.00 0.00 C ATOM 1459 NH1 ARG A 94 11.540 6.956 10.871 1.00 0.00 N ATOM 1460 NH2 ARG A 94 11.065 4.931 9.901 1.00 0.00 N ATOM 0 H ARG A 94 5.083 7.784 7.638 1.00 0.00 H new ATOM 0 HA ARG A 94 5.791 9.533 9.579 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.707 7.015 9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.267 6.961 8.895 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.997 8.602 11.400 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.049 6.856 11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.124 8.512 10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.301 7.972 11.713 1.00 0.00 H new ATOM 0 HE ARG A 94 8.725 5.774 9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.232 7.864 11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.525 6.697 10.924 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.390 4.279 9.500 1.00 0.00 H new ATOM 0 HH22 ARG A 94 12.051 4.675 9.955 1.00 0.00 H new ATOM 1474 N MET A 95 8.421 8.994 7.632 1.00 0.00 N ATOM 1475 CA MET A 95 9.695 9.562 7.206 1.00 0.00 C ATOM 1476 C MET A 95 9.487 10.605 6.113 1.00 0.00 C ATOM 1477 O MET A 95 10.406 11.349 5.769 1.00 0.00 O ATOM 1478 CB MET A 95 10.627 8.458 6.703 1.00 0.00 C ATOM 1479 CG MET A 95 11.007 7.448 7.774 1.00 0.00 C ATOM 1480 SD MET A 95 12.602 6.669 7.460 1.00 0.00 S ATOM 1481 CE MET A 95 12.092 4.998 7.068 1.00 0.00 C ATOM 0 H MET A 95 8.183 8.109 7.185 1.00 0.00 H new ATOM 0 HA MET A 95 10.153 10.050 8.067 1.00 0.00 H new ATOM 0 HB2 MET A 95 10.145 7.935 5.877 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.534 8.913 6.306 1.00 0.00 H new ATOM 0 HG2 MET A 95 11.035 7.945 8.743 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.237 6.679 7.832 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.583 4.299 7.745 1.00 0.00 H new ATOM 0 HE2 MET A 95 11.011 4.912 7.179 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.371 4.764 6.041 1.00 0.00 H new ATOM 1491 N ARG A 96 8.275 10.654 5.571 1.00 0.00 N ATOM 1492 CA ARG A 96 7.948 11.605 4.515 1.00 0.00 C ATOM 1493 C ARG A 96 8.908 11.462 3.338 1.00 0.00 C ATOM 1494 O ARG A 96 9.397 12.455 2.799 1.00 0.00 O ATOM 1495 CB ARG A 96 7.997 13.036 5.056 1.00 0.00 C ATOM 1496 CG ARG A 96 7.134 13.251 6.289 1.00 0.00 C ATOM 1497 CD ARG A 96 7.440 14.582 6.957 1.00 0.00 C ATOM 1498 NE ARG A 96 8.546 14.477 7.905 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.406 14.043 9.153 1.00 0.00 C ATOM 1500 NH1 ARG A 96 7.214 13.674 9.600 1.00 0.00 N ATOM 1501 NH2 ARG A 96 9.461 13.976 9.955 1.00 0.00 N ATOM 0 H ARG A 96 7.503 10.046 5.845 1.00 0.00 H new ATOM 0 HA ARG A 96 6.938 11.389 4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.029 13.289 5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.675 13.723 4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.081 13.217 6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.301 12.440 6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.685 15.322 6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.551 14.940 7.476 1.00 0.00 H new ATOM 0 HE ARG A 96 9.477 14.752 7.592 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.401 13.723 8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.109 13.341 10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.380 14.258 9.614 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.353 13.643 10.913 1.00 0.00 H new ATOM 1515 N ARG A 97 9.173 10.221 2.945 1.00 0.00 N ATOM 1516 CA ARG A 97 10.075 9.948 1.832 1.00 0.00 C ATOM 1517 C ARG A 97 9.678 8.662 1.113 1.00 0.00 C ATOM 1518 O ARG A 97 9.038 7.786 1.695 1.00 0.00 O ATOM 1519 CB ARG A 97 11.517 9.841 2.332 1.00 0.00 C ATOM 1520 CG ARG A 97 11.727 8.735 3.354 1.00 0.00 C ATOM 1521 CD ARG A 97 13.204 8.445 3.565 1.00 0.00 C ATOM 1522 NE ARG A 97 13.826 9.403 4.475 1.00 0.00 N ATOM 1523 CZ ARG A 97 15.140 9.546 4.607 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.966 8.797 3.890 1.00 0.00 N ATOM 1525 NH2 ARG A 97 15.629 10.440 5.457 1.00 0.00 N ATOM 0 H ARG A 97 8.776 9.388 3.380 1.00 0.00 H new ATOM 0 HA ARG A 97 10.002 10.775 1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.176 9.668 1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.811 10.793 2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.273 9.023 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.221 7.829 3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.322 7.437 3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.719 8.470 2.605 1.00 0.00 H new ATOM 0 HE ARG A 97 13.218 9.995 5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.593 8.109 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.975 8.908 3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.996 11.018 6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.638 10.549 5.558 1.00 0.00 H new ATOM 1539 N ARG A 98 10.061 8.558 -0.155 1.00 0.00 N ATOM 1540 CA ARG A 98 9.743 7.381 -0.955 1.00 0.00 C ATOM 1541 C ARG A 98 10.529 6.165 -0.469 1.00 0.00 C ATOM 1542 O ARG A 98 11.759 6.191 -0.410 1.00 0.00 O ATOM 1543 CB ARG A 98 10.049 7.642 -2.430 1.00 0.00 C ATOM 1544 CG ARG A 98 9.134 6.892 -3.385 1.00 0.00 C ATOM 1545 CD ARG A 98 8.930 7.660 -4.681 1.00 0.00 C ATOM 1546 NE ARG A 98 9.920 7.300 -5.693 1.00 0.00 N ATOM 1547 CZ ARG A 98 9.986 7.869 -6.891 1.00 0.00 C ATOM 1548 NH1 ARG A 98 9.126 8.820 -7.225 1.00 0.00 N ATOM 1549 NH2 ARG A 98 10.915 7.486 -7.758 1.00 0.00 N ATOM 0 H ARG A 98 10.592 9.274 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 98 8.679 7.174 -0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.966 8.711 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.082 7.360 -2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.560 5.913 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.170 6.721 -2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.930 7.462 -5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.989 8.730 -4.481 1.00 0.00 H new ATOM 0 HE ARG A 98 10.598 6.572 -5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.411 9.117 -6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.179 9.255 -8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.579 6.754 -7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.965 7.923 -8.678 1.00 0.00 H new ATOM 1563 N LEU A 99 9.810 5.104 -0.122 1.00 0.00 N ATOM 1564 CA LEU A 99 10.439 3.878 0.359 1.00 0.00 C ATOM 1565 C LEU A 99 10.240 2.738 -0.634 1.00 0.00 C ATOM 1566 O LEU A 99 9.248 2.680 -1.360 1.00 0.00 O ATOM 1567 CB LEU A 99 9.865 3.488 1.723 1.00 0.00 C ATOM 1568 CG LEU A 99 9.918 4.566 2.806 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.231 4.082 4.074 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.359 4.960 3.096 1.00 0.00 C ATOM 0 H LEU A 99 8.792 5.067 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 99 11.508 4.063 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.826 3.190 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.403 2.612 2.084 1.00 0.00 H new ATOM 0 HG LEU A 99 9.388 5.446 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.278 4.862 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.188 3.850 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.733 3.187 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.378 5.728 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.913 4.086 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.820 5.348 2.188 1.00 0.00 H new ATOM 1582 N PRO A 100 11.205 1.807 -0.666 1.00 0.00 N ATOM 1583 CA PRO A 100 11.157 0.649 -1.564 1.00 0.00 C ATOM 1584 C PRO A 100 10.073 -0.348 -1.169 1.00 0.00 C ATOM 1585 O PRO A 100 10.167 -1.002 -0.130 1.00 0.00 O ATOM 1586 CB PRO A 100 12.544 0.020 -1.406 1.00 0.00 C ATOM 1587 CG PRO A 100 13.000 0.444 -0.053 1.00 0.00 C ATOM 1588 CD PRO A 100 12.416 1.811 0.172 1.00 0.00 C ATOM 0 HA PRO A 100 10.918 0.938 -2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.498 -1.066 -1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.227 0.368 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.660 -0.256 0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.088 0.471 0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.177 1.978 1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.109 2.598 -0.126 1.00 0.00 H new ATOM 1596 N SER A 101 9.044 -0.458 -2.003 1.00 0.00 N ATOM 1597 CA SER A 101 7.940 -1.373 -1.738 1.00 0.00 C ATOM 1598 C SER A 101 8.430 -2.817 -1.692 1.00 0.00 C ATOM 1599 O SER A 101 7.850 -3.657 -1.005 1.00 0.00 O ATOM 1600 CB SER A 101 6.858 -1.223 -2.810 1.00 0.00 C ATOM 1601 OG SER A 101 7.372 -1.514 -4.098 1.00 0.00 O ATOM 0 H SER A 101 8.952 0.075 -2.868 1.00 0.00 H new ATOM 0 HA SER A 101 7.516 -1.121 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.026 -1.891 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.464 -0.207 -2.793 1.00 0.00 H new ATOM 0 HG SER A 101 6.661 -1.413 -4.765 1.00 0.00 H new ATOM 1607 N GLN A 102 9.500 -3.096 -2.429 1.00 0.00 N ATOM 1608 CA GLN A 102 10.068 -4.438 -2.472 1.00 0.00 C ATOM 1609 C GLN A 102 10.288 -4.982 -1.065 1.00 0.00 C ATOM 1610 O GLN A 102 10.151 -6.182 -0.824 1.00 0.00 O ATOM 1611 CB GLN A 102 11.390 -4.431 -3.242 1.00 0.00 C ATOM 1612 CG GLN A 102 12.203 -5.703 -3.067 1.00 0.00 C ATOM 1613 CD GLN A 102 13.374 -5.784 -4.026 1.00 0.00 C ATOM 1614 OE1 GLN A 102 13.742 -4.794 -4.660 1.00 0.00 O ATOM 1615 NE2 GLN A 102 13.967 -6.967 -4.139 1.00 0.00 N ATOM 0 H GLN A 102 9.991 -2.411 -3.004 1.00 0.00 H new ATOM 0 HA GLN A 102 9.360 -5.088 -2.986 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.183 -4.285 -4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.987 -3.580 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.573 -5.755 -2.043 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.555 -6.567 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.629 -7.761 -3.595 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.760 -7.082 -4.770 1.00 0.00 H new ATOM 1624 N ARG A 103 10.631 -4.093 -0.139 1.00 0.00 N ATOM 1625 CA ARG A 103 10.872 -4.484 1.245 1.00 0.00 C ATOM 1626 C ARG A 103 9.556 -4.737 1.975 1.00 0.00 C ATOM 1627 O ARG A 103 9.511 -5.482 2.954 1.00 0.00 O ATOM 1628 CB ARG A 103 11.672 -3.402 1.972 1.00 0.00 C ATOM 1629 CG ARG A 103 13.083 -3.224 1.437 1.00 0.00 C ATOM 1630 CD ARG A 103 13.899 -2.290 2.317 1.00 0.00 C ATOM 1631 NE ARG A 103 14.289 -2.924 3.574 1.00 0.00 N ATOM 1632 CZ ARG A 103 15.225 -2.439 4.382 1.00 0.00 C ATOM 1633 NH1 ARG A 103 15.864 -1.321 4.066 1.00 0.00 N ATOM 1634 NH2 ARG A 103 15.523 -3.073 5.509 1.00 0.00 N ATOM 0 H ARG A 103 10.748 -3.096 -0.322 1.00 0.00 H new ATOM 0 HA ARG A 103 11.448 -5.409 1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.140 -2.454 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.723 -3.651 3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.576 -4.194 1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.041 -2.826 0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.792 -1.973 1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.319 -1.392 2.529 1.00 0.00 H new ATOM 0 HE ARG A 103 13.817 -3.786 3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.637 -0.831 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.582 -0.951 4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.033 -3.933 5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.242 -2.700 6.129 1.00 0.00 H new ATOM 1648 N TYR A 104 8.489 -4.111 1.493 1.00 0.00 N ATOM 1649 CA TYR A 104 7.173 -4.265 2.102 1.00 0.00 C ATOM 1650 C TYR A 104 6.262 -5.116 1.222 1.00 0.00 C ATOM 1651 O TYR A 104 5.048 -4.910 1.181 1.00 0.00 O ATOM 1652 CB TYR A 104 6.535 -2.896 2.341 1.00 0.00 C ATOM 1653 CG TYR A 104 7.445 -1.920 3.053 1.00 0.00 C ATOM 1654 CD1 TYR A 104 8.316 -1.106 2.340 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.434 -1.814 4.438 1.00 0.00 C ATOM 1656 CE1 TYR A 104 9.149 -0.213 2.986 1.00 0.00 C ATOM 1657 CE2 TYR A 104 8.263 -0.923 5.092 1.00 0.00 C ATOM 1658 CZ TYR A 104 9.119 -0.125 4.362 1.00 0.00 C ATOM 1659 OH TYR A 104 9.947 0.762 5.010 1.00 0.00 O ATOM 0 H TYR A 104 8.509 -3.492 0.682 1.00 0.00 H new ATOM 0 HA TYR A 104 7.301 -4.771 3.059 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.238 -2.470 1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.625 -3.026 2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 104 8.342 -1.172 1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.766 -2.438 5.013 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.820 0.413 2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 104 8.241 -0.852 6.169 1.00 0.00 H new ATOM 0 HH TYR A 104 9.801 0.700 5.977 1.00 0.00 H new ATOM 1669 N LEU A 105 6.856 -6.074 0.519 1.00 0.00 N ATOM 1670 CA LEU A 105 6.100 -6.958 -0.361 1.00 0.00 C ATOM 1671 C LEU A 105 5.461 -8.096 0.429 1.00 0.00 C ATOM 1672 O LEU A 105 6.138 -8.806 1.171 1.00 0.00 O ATOM 1673 CB LEU A 105 7.011 -7.528 -1.450 1.00 0.00 C ATOM 1674 CG LEU A 105 7.174 -6.670 -2.705 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.238 -7.258 -3.619 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.847 -6.543 -3.440 1.00 0.00 C ATOM 0 H LEU A 105 7.859 -6.258 0.541 1.00 0.00 H new ATOM 0 HA LEU A 105 5.307 -6.373 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.998 -7.697 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.623 -8.502 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 105 7.495 -5.674 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.340 -6.634 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.191 -7.296 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.947 -8.266 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.982 -5.929 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.496 -7.533 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.112 -6.076 -2.785 1.00 0.00 H new ATOM 1688 N MET A 106 4.153 -8.263 0.263 1.00 0.00 N ATOM 1689 CA MET A 106 3.423 -9.316 0.958 1.00 0.00 C ATOM 1690 C MET A 106 3.571 -10.650 0.232 1.00 0.00 C ATOM 1691 O MET A 106 3.969 -11.650 0.828 1.00 0.00 O ATOM 1692 CB MET A 106 1.942 -8.948 1.076 1.00 0.00 C ATOM 1693 CG MET A 106 1.659 -7.905 2.144 1.00 0.00 C ATOM 1694 SD MET A 106 -0.016 -7.246 2.045 1.00 0.00 S ATOM 1695 CE MET A 106 -0.772 -8.027 3.469 1.00 0.00 C ATOM 0 H MET A 106 3.577 -7.682 -0.347 1.00 0.00 H new ATOM 0 HA MET A 106 3.845 -9.417 1.958 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.591 -8.575 0.114 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.369 -9.848 1.298 1.00 0.00 H new ATOM 0 HG2 MET A 106 1.814 -8.347 3.128 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.373 -7.087 2.046 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.759 -8.402 3.197 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.148 -8.856 3.803 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.870 -7.299 4.274 1.00 0.00 H new