USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 765 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 74 CYS SG : rot 180:sc= -0.13 USER MOD Set 1.2: A 132 ASN : amide:sc= 0.73 K(o=0.56,f=-9.7!) USER MOD Set 1.3: A 134 SER OG : rot 180:sc= -0.0387 USER MOD Set 2.1: A 26 THR OG1 : rot -109:sc= 1.37 USER MOD Set 2.2: A 29 HIS : no HD1:sc= -1.51 K(o=-0.14,f=-4!) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -0.653 (180deg=-0.664) USER MOD Single : A 21 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.667 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0.00385 (180deg=0.00385) USER MOD Single : A 39 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.1) USER MOD Single : A 66 CYS SG : rot -169:sc= -0.538 USER MOD Single : A 72 THR OG1 : rot -119:sc= 0.27 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.728 K(o=-0.73,f=-4.5!) USER MOD Single : A 83 GLN : amide:sc= -1.27 K(o=-1.3,f=-3!) USER MOD Single : A 87 MET CE :methyl -149:sc= -7.31! (180deg=-10.1!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 100:sc= -4.15! USER MOD Single : A 97 ASN : amide:sc= 0.245 X(o=0.25,f=-0.02) USER MOD Single : A 98 SER OG : rot 174:sc= -0.0822 USER MOD Single : A 102 MET CE :methyl -170:sc= -1.95 (180deg=-2.58) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 119:sc= -1.26! USER MOD Single : A 107 MET CE :methyl -178:sc= 0 (180deg=-0.00466) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ -156:sc= -0.0967 (180deg=-0.821) USER MOD Single : A 131 ASN :FLIP amide:sc= -0.148 F(o=-1.2,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 205 N PHE A 16 16.345 0.313 -5.685 1.00 0.00 N ATOM 206 CA PHE A 16 14.906 0.232 -5.507 1.00 0.00 C ATOM 207 C PHE A 16 14.216 1.493 -6.029 1.00 0.00 C ATOM 208 O PHE A 16 14.827 2.559 -6.091 1.00 0.00 O ATOM 209 CB PHE A 16 14.648 0.109 -4.003 1.00 0.00 C ATOM 210 CG PHE A 16 15.123 -1.213 -3.396 1.00 0.00 C ATOM 211 CD1 PHE A 16 16.446 -1.527 -3.401 1.00 0.00 C ATOM 212 CD2 PHE A 16 14.221 -2.073 -2.852 1.00 0.00 C ATOM 213 CE1 PHE A 16 16.886 -2.754 -2.838 1.00 0.00 C ATOM 214 CE2 PHE A 16 14.661 -3.300 -2.289 1.00 0.00 C ATOM 215 CZ PHE A 16 15.984 -3.615 -2.294 1.00 0.00 C ATOM 0 HA PHE A 16 14.511 -0.620 -6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 16 15.146 0.932 -3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 16 13.579 0.219 -3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 16 17.162 -0.843 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 16 13.170 -1.823 -2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 16 17.937 -3.004 -2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.945 -3.983 -1.857 1.00 0.00 H new ATOM 0 HZ PHE A 16 16.319 -4.549 -1.866 1.00 0.00 H new ATOM 225 N VAL A 17 12.952 1.331 -6.392 1.00 0.00 N ATOM 226 CA VAL A 17 12.172 2.444 -6.907 1.00 0.00 C ATOM 227 C VAL A 17 11.452 3.136 -5.748 1.00 0.00 C ATOM 228 O VAL A 17 11.515 2.675 -4.609 1.00 0.00 O ATOM 229 CB VAL A 17 11.217 1.953 -7.997 1.00 0.00 C ATOM 230 CG1 VAL A 17 10.141 1.036 -7.411 1.00 0.00 C ATOM 231 CG2 VAL A 17 10.587 3.130 -8.744 1.00 0.00 C ATOM 0 H VAL A 17 12.448 0.446 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 17 12.823 3.184 -7.373 1.00 0.00 H new ATOM 0 HB VAL A 17 11.797 1.373 -8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.476 0.701 -8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.614 0.171 -6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.566 1.582 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.913 2.754 -9.513 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.028 3.749 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.371 3.727 -9.209 1.00 0.00 H new ATOM 241 N LYS A 18 10.785 4.232 -6.078 1.00 0.00 N ATOM 242 CA LYS A 18 10.054 4.992 -5.079 1.00 0.00 C ATOM 243 C LYS A 18 8.579 5.068 -5.481 1.00 0.00 C ATOM 244 O LYS A 18 8.216 4.702 -6.597 1.00 0.00 O ATOM 245 CB LYS A 18 10.704 6.361 -4.865 1.00 0.00 C ATOM 246 CG LYS A 18 12.160 6.212 -4.419 1.00 0.00 C ATOM 247 CD LYS A 18 12.331 6.633 -2.958 1.00 0.00 C ATOM 248 CE LYS A 18 13.698 7.281 -2.731 1.00 0.00 C ATOM 249 NZ LYS A 18 13.711 8.031 -1.455 1.00 0.00 N ATOM 0 H LYS A 18 10.736 4.612 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 18 10.097 4.490 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.660 6.937 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.145 6.920 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.478 5.177 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.803 6.821 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.542 7.333 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.225 5.763 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.473 6.514 -2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.930 7.953 -3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.579 8.600 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.882 8.658 -1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.681 7.362 -0.659 1.00 0.00 H new ATOM 263 N VAL A 19 7.769 5.547 -4.548 1.00 0.00 N ATOM 264 CA VAL A 19 6.342 5.675 -4.790 1.00 0.00 C ATOM 265 C VAL A 19 6.098 6.819 -5.777 1.00 0.00 C ATOM 266 O VAL A 19 5.272 6.699 -6.680 1.00 0.00 O ATOM 267 CB VAL A 19 5.600 5.861 -3.465 1.00 0.00 C ATOM 268 CG1 VAL A 19 4.099 6.043 -3.697 1.00 0.00 C ATOM 269 CG2 VAL A 19 5.871 4.690 -2.517 1.00 0.00 C ATOM 0 H VAL A 19 8.074 5.851 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 19 5.948 4.765 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 19 5.977 6.769 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.596 6.173 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.931 6.923 -4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.699 5.163 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.332 4.846 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.534 3.762 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.940 4.627 -2.313 1.00 0.00 H new ATOM 279 N GLU A 20 6.831 7.903 -5.570 1.00 0.00 N ATOM 280 CA GLU A 20 6.705 9.068 -6.430 1.00 0.00 C ATOM 281 C GLU A 20 7.307 8.779 -7.806 1.00 0.00 C ATOM 282 O GLU A 20 7.223 9.608 -8.711 1.00 0.00 O ATOM 283 CB GLU A 20 7.360 10.294 -5.792 1.00 0.00 C ATOM 284 CG GLU A 20 8.884 10.163 -5.790 1.00 0.00 C ATOM 285 CD GLU A 20 9.549 11.501 -5.456 1.00 0.00 C ATOM 286 OE1 GLU A 20 9.491 11.882 -4.267 1.00 0.00 O ATOM 287 OE2 GLU A 20 10.099 12.111 -6.398 1.00 0.00 O ATOM 0 H GLU A 20 7.515 7.999 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 20 5.645 9.288 -6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.069 11.191 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.000 10.412 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.187 9.410 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.224 9.817 -6.766 1.00 0.00 H new ATOM 294 N GLN A 21 7.901 7.600 -7.922 1.00 0.00 N ATOM 295 CA GLN A 21 8.517 7.192 -9.173 1.00 0.00 C ATOM 296 C GLN A 21 7.573 6.275 -9.955 1.00 0.00 C ATOM 297 O GLN A 21 7.931 5.771 -11.018 1.00 0.00 O ATOM 298 CB GLN A 21 9.863 6.508 -8.924 1.00 0.00 C ATOM 299 CG GLN A 21 10.983 7.207 -9.697 1.00 0.00 C ATOM 300 CD GLN A 21 12.076 6.212 -10.097 1.00 0.00 C ATOM 301 OE1 GLN A 21 13.082 6.053 -9.427 1.00 0.00 O ATOM 302 NE2 GLN A 21 11.821 5.554 -11.225 1.00 0.00 N ATOM 0 H GLN A 21 7.969 6.914 -7.170 1.00 0.00 H new ATOM 0 HA GLN A 21 8.705 8.084 -9.771 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.090 6.520 -7.858 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.805 5.462 -9.226 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.573 7.681 -10.589 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.414 7.999 -9.084 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.958 5.736 -11.737 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.488 4.868 -11.577 1.00 0.00 H new ATOM 311 N LEU A 22 6.386 6.088 -9.398 1.00 0.00 N ATOM 312 CA LEU A 22 5.388 5.241 -10.029 1.00 0.00 C ATOM 313 C LEU A 22 4.743 6.000 -11.191 1.00 0.00 C ATOM 314 O LEU A 22 4.670 7.228 -11.170 1.00 0.00 O ATOM 315 CB LEU A 22 4.383 4.733 -8.994 1.00 0.00 C ATOM 316 CG LEU A 22 4.971 3.954 -7.815 1.00 0.00 C ATOM 317 CD1 LEU A 22 3.875 3.542 -6.830 1.00 0.00 C ATOM 318 CD2 LEU A 22 5.785 2.754 -8.302 1.00 0.00 C ATOM 0 H LEU A 22 6.093 6.509 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 22 5.855 4.350 -10.449 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.833 5.588 -8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.660 4.094 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 22 5.656 4.611 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.319 2.990 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.377 4.432 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.147 2.910 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.192 2.218 -7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.142 2.087 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.603 3.101 -8.934 1.00 0.00 H new ATOM 330 N LYS A 23 4.293 5.238 -12.176 1.00 0.00 N ATOM 331 CA LYS A 23 3.657 5.823 -13.345 1.00 0.00 C ATOM 332 C LYS A 23 2.873 4.740 -14.089 1.00 0.00 C ATOM 333 O LYS A 23 3.109 3.550 -13.890 1.00 0.00 O ATOM 334 CB LYS A 23 4.691 6.541 -14.214 1.00 0.00 C ATOM 335 CG LYS A 23 4.996 7.936 -13.664 1.00 0.00 C ATOM 336 CD LYS A 23 5.354 8.904 -14.793 1.00 0.00 C ATOM 337 CE LYS A 23 5.699 10.288 -14.239 1.00 0.00 C ATOM 338 NZ LYS A 23 7.096 10.647 -14.574 1.00 0.00 N ATOM 0 H LYS A 23 4.356 4.220 -12.189 1.00 0.00 H new ATOM 0 HA LYS A 23 2.940 6.588 -13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.608 5.954 -14.254 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.319 6.622 -15.235 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.131 8.313 -13.118 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.821 7.879 -12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.200 8.513 -15.358 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.517 8.984 -15.487 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.017 11.032 -14.652 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.564 10.297 -13.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.314 11.589 -14.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.743 9.946 -14.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.213 10.658 -15.607 1.00 0.00 H new ATOM 352 N PRO A 24 1.931 5.204 -14.953 1.00 0.00 N ATOM 353 CA PRO A 24 1.111 4.289 -15.729 1.00 0.00 C ATOM 354 C PRO A 24 1.912 3.674 -16.878 1.00 0.00 C ATOM 355 O PRO A 24 2.714 4.355 -17.514 1.00 0.00 O ATOM 356 CB PRO A 24 -0.067 5.124 -16.206 1.00 0.00 C ATOM 357 CG PRO A 24 0.370 6.574 -16.074 1.00 0.00 C ATOM 358 CD PRO A 24 1.623 6.607 -15.215 1.00 0.00 C ATOM 0 HA PRO A 24 0.767 3.435 -15.145 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.322 4.885 -17.238 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.954 4.927 -15.604 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.569 7.004 -17.056 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.420 7.171 -15.619 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.445 7.103 -15.732 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.453 7.155 -14.288 1.00 0.00 H new ATOM 366 N GLY A 25 1.667 2.392 -17.108 1.00 0.00 N ATOM 367 CA GLY A 25 2.355 1.678 -18.169 1.00 0.00 C ATOM 368 C GLY A 25 3.613 0.986 -17.639 1.00 0.00 C ATOM 369 O GLY A 25 4.464 0.557 -18.416 1.00 0.00 O ATOM 0 H GLY A 25 1.002 1.830 -16.577 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.686 0.938 -18.607 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.626 2.373 -18.964 1.00 0.00 H new ATOM 373 N THR A 26 3.690 0.901 -16.319 1.00 0.00 N ATOM 374 CA THR A 26 4.829 0.269 -15.675 1.00 0.00 C ATOM 375 C THR A 26 4.393 -1.006 -14.950 1.00 0.00 C ATOM 376 O THR A 26 3.218 -1.167 -14.622 1.00 0.00 O ATOM 377 CB THR A 26 5.482 1.300 -14.752 1.00 0.00 C ATOM 378 OG1 THR A 26 4.481 1.575 -13.776 1.00 0.00 O ATOM 379 CG2 THR A 26 5.708 2.646 -15.444 1.00 0.00 C ATOM 0 H THR A 26 2.982 1.259 -15.678 1.00 0.00 H new ATOM 0 HA THR A 26 5.571 -0.049 -16.407 1.00 0.00 H new ATOM 0 HB THR A 26 6.435 0.913 -14.392 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.123 2.476 -13.920 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.173 3.341 -14.745 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.360 2.507 -16.306 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.751 3.050 -15.775 1.00 0.00 H new ATOM 387 N THR A 27 5.363 -1.879 -14.721 1.00 0.00 N ATOM 388 CA THR A 27 5.094 -3.135 -14.041 1.00 0.00 C ATOM 389 C THR A 27 6.335 -3.606 -13.281 1.00 0.00 C ATOM 390 O THR A 27 7.392 -2.983 -13.365 1.00 0.00 O ATOM 391 CB THR A 27 4.600 -4.140 -15.083 1.00 0.00 C ATOM 392 OG1 THR A 27 5.416 -3.887 -16.224 1.00 0.00 O ATOM 393 CG2 THR A 27 3.180 -3.835 -15.565 1.00 0.00 C ATOM 0 H THR A 27 6.336 -1.742 -14.994 1.00 0.00 H new ATOM 0 HA THR A 27 4.315 -3.019 -13.287 1.00 0.00 H new ATOM 0 HB THR A 27 4.632 -5.145 -14.661 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.164 -4.497 -16.948 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.879 -4.578 -16.303 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.494 -3.865 -14.718 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.154 -2.844 -16.017 1.00 0.00 H new ATOM 401 N GLY A 28 6.166 -4.703 -12.558 1.00 0.00 N ATOM 402 CA GLY A 28 7.259 -5.266 -11.784 1.00 0.00 C ATOM 403 C GLY A 28 8.140 -4.161 -11.197 1.00 0.00 C ATOM 404 O GLY A 28 9.086 -3.710 -11.840 1.00 0.00 O ATOM 0 H GLY A 28 5.288 -5.217 -12.492 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.860 -5.884 -10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.860 -5.918 -12.418 1.00 0.00 H new ATOM 408 N HIS A 29 7.798 -3.759 -9.982 1.00 0.00 N ATOM 409 CA HIS A 29 8.546 -2.716 -9.301 1.00 0.00 C ATOM 410 C HIS A 29 9.164 -3.280 -8.021 1.00 0.00 C ATOM 411 O HIS A 29 8.702 -4.293 -7.498 1.00 0.00 O ATOM 412 CB HIS A 29 7.662 -1.493 -9.043 1.00 0.00 C ATOM 413 CG HIS A 29 7.211 -0.786 -10.298 1.00 0.00 C ATOM 414 ND1 HIS A 29 8.025 0.086 -11.001 1.00 0.00 N ATOM 415 CD2 HIS A 29 6.025 -0.830 -10.969 1.00 0.00 C ATOM 416 CE1 HIS A 29 7.348 0.540 -12.045 1.00 0.00 C ATOM 417 NE2 HIS A 29 6.108 -0.029 -12.024 1.00 0.00 N ATOM 0 H HIS A 29 7.013 -4.137 -9.452 1.00 0.00 H new ATOM 0 HA HIS A 29 9.362 -2.375 -9.938 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.783 -1.805 -8.478 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.209 -0.788 -8.417 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.163 -1.418 -10.689 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.713 1.238 -12.783 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.367 0.134 -12.706 1.00 0.00 H new ATOM 425 N THR A 30 10.201 -2.601 -7.553 1.00 0.00 N ATOM 426 CA THR A 30 10.888 -3.022 -6.344 1.00 0.00 C ATOM 427 C THR A 30 11.202 -1.814 -5.460 1.00 0.00 C ATOM 428 O THR A 30 12.054 -0.995 -5.801 1.00 0.00 O ATOM 429 CB THR A 30 12.132 -3.811 -6.758 1.00 0.00 C ATOM 430 OG1 THR A 30 11.673 -4.659 -7.807 1.00 0.00 O ATOM 431 CG2 THR A 30 12.598 -4.783 -5.671 1.00 0.00 C ATOM 0 H THR A 30 10.582 -1.762 -7.990 1.00 0.00 H new ATOM 0 HA THR A 30 10.258 -3.673 -5.738 1.00 0.00 H new ATOM 0 HB THR A 30 12.939 -3.117 -6.995 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.417 -5.205 -8.135 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.483 -5.317 -6.016 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.840 -4.227 -4.765 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.803 -5.498 -5.457 1.00 0.00 H new ATOM 439 N LEU A 31 10.495 -1.740 -4.341 1.00 0.00 N ATOM 440 CA LEU A 31 10.688 -0.645 -3.406 1.00 0.00 C ATOM 441 C LEU A 31 10.212 -1.077 -2.017 1.00 0.00 C ATOM 442 O LEU A 31 9.566 -2.114 -1.873 1.00 0.00 O ATOM 443 CB LEU A 31 10.008 0.625 -3.921 1.00 0.00 C ATOM 444 CG LEU A 31 8.480 0.591 -3.982 1.00 0.00 C ATOM 445 CD1 LEU A 31 7.944 1.686 -4.906 1.00 0.00 C ATOM 446 CD2 LEU A 31 7.978 -0.797 -4.386 1.00 0.00 C ATOM 0 H LEU A 31 9.788 -2.420 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 31 11.747 -0.400 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.308 1.457 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.387 0.836 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 31 8.094 0.795 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.855 1.640 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.257 2.662 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.337 1.538 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.889 -0.794 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.373 -1.055 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.315 -1.533 -3.656 1.00 0.00 H new ATOM 458 N THR A 32 10.549 -0.260 -1.030 1.00 0.00 N ATOM 459 CA THR A 32 10.165 -0.545 0.342 1.00 0.00 C ATOM 460 C THR A 32 9.019 0.372 0.776 1.00 0.00 C ATOM 461 O THR A 32 9.214 1.573 0.953 1.00 0.00 O ATOM 462 CB THR A 32 11.411 -0.416 1.219 1.00 0.00 C ATOM 463 OG1 THR A 32 12.433 -1.065 0.468 1.00 0.00 O ATOM 464 CG2 THR A 32 11.312 -1.241 2.504 1.00 0.00 C ATOM 0 H THR A 32 11.084 0.600 -1.153 1.00 0.00 H new ATOM 0 HA THR A 32 9.783 -1.561 0.443 1.00 0.00 H new ATOM 0 HB THR A 32 11.569 0.632 1.473 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.278 -1.026 0.963 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.223 -1.113 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.455 -0.904 3.088 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.188 -2.294 2.252 1.00 0.00 H new ATOM 472 N VAL A 33 7.849 -0.230 0.933 1.00 0.00 N ATOM 473 CA VAL A 33 6.672 0.517 1.343 1.00 0.00 C ATOM 474 C VAL A 33 6.420 0.287 2.834 1.00 0.00 C ATOM 475 O VAL A 33 6.472 -0.847 3.308 1.00 0.00 O ATOM 476 CB VAL A 33 5.477 0.133 0.468 1.00 0.00 C ATOM 477 CG1 VAL A 33 5.781 0.375 -1.012 1.00 0.00 C ATOM 478 CG2 VAL A 33 5.065 -1.320 0.712 1.00 0.00 C ATOM 0 H VAL A 33 7.691 -1.227 0.784 1.00 0.00 H new ATOM 0 HA VAL A 33 6.831 1.586 1.202 1.00 0.00 H new ATOM 0 HB VAL A 33 4.638 0.771 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.915 0.094 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.005 1.430 -1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.640 -0.226 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.214 -1.568 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.899 -1.980 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.788 -1.449 1.758 1.00 0.00 H new ATOM 488 N LYS A 34 6.153 1.380 3.533 1.00 0.00 N ATOM 489 CA LYS A 34 5.893 1.311 4.960 1.00 0.00 C ATOM 490 C LYS A 34 4.402 1.541 5.215 1.00 0.00 C ATOM 491 O LYS A 34 3.869 2.600 4.885 1.00 0.00 O ATOM 492 CB LYS A 34 6.803 2.280 5.718 1.00 0.00 C ATOM 493 CG LYS A 34 6.484 2.275 7.215 1.00 0.00 C ATOM 494 CD LYS A 34 6.089 3.672 7.697 1.00 0.00 C ATOM 495 CE LYS A 34 5.987 3.717 9.223 1.00 0.00 C ATOM 496 NZ LYS A 34 4.679 4.270 9.639 1.00 0.00 N ATOM 0 H LYS A 34 6.111 2.319 3.137 1.00 0.00 H new ATOM 0 HA LYS A 34 6.133 0.319 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.845 2.001 5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.680 3.287 5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.673 1.575 7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.352 1.926 7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.826 4.400 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.133 3.956 7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.111 2.714 9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.793 4.328 9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.626 4.294 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.575 5.235 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.915 3.671 9.267 1.00 0.00 H new ATOM 510 N VAL A 35 3.771 0.533 5.798 1.00 0.00 N ATOM 511 CA VAL A 35 2.352 0.612 6.100 1.00 0.00 C ATOM 512 C VAL A 35 2.118 1.702 7.149 1.00 0.00 C ATOM 513 O VAL A 35 2.939 1.892 8.045 1.00 0.00 O ATOM 514 CB VAL A 35 1.833 -0.759 6.537 1.00 0.00 C ATOM 515 CG1 VAL A 35 0.313 -0.844 6.384 1.00 0.00 C ATOM 516 CG2 VAL A 35 2.526 -1.881 5.761 1.00 0.00 C ATOM 0 H VAL A 35 4.217 -0.343 6.070 1.00 0.00 H new ATOM 0 HA VAL A 35 1.787 0.890 5.210 1.00 0.00 H new ATOM 0 HB VAL A 35 2.071 -0.886 7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.030 -1.829 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.158 -0.079 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.043 -0.685 5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.139 -2.845 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.334 -1.759 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.600 -1.840 5.943 1.00 0.00 H new ATOM 526 N ILE A 36 0.995 2.389 7.002 1.00 0.00 N ATOM 527 CA ILE A 36 0.643 3.454 7.925 1.00 0.00 C ATOM 528 C ILE A 36 -0.669 3.101 8.628 1.00 0.00 C ATOM 529 O ILE A 36 -0.758 3.169 9.853 1.00 0.00 O ATOM 530 CB ILE A 36 0.608 4.801 7.200 1.00 0.00 C ATOM 531 CG1 ILE A 36 1.623 4.834 6.055 1.00 0.00 C ATOM 532 CG2 ILE A 36 0.814 5.957 8.181 1.00 0.00 C ATOM 533 CD1 ILE A 36 3.054 4.887 6.592 1.00 0.00 C ATOM 0 H ILE A 36 0.317 2.229 6.257 1.00 0.00 H new ATOM 0 HA ILE A 36 1.404 3.554 8.699 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.381 4.925 6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.498 3.951 5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.436 5.702 5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.785 6.903 7.640 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.023 5.943 8.931 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.781 5.850 8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.755 4.910 5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.182 5.784 7.198 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.246 4.005 7.203 1.00 0.00 H new ATOM 545 N GLU A 37 -1.654 2.731 7.823 1.00 0.00 N ATOM 546 CA GLU A 37 -2.957 2.366 8.354 1.00 0.00 C ATOM 547 C GLU A 37 -3.531 1.177 7.581 1.00 0.00 C ATOM 548 O GLU A 37 -3.159 0.941 6.432 1.00 0.00 O ATOM 549 CB GLU A 37 -3.916 3.558 8.319 1.00 0.00 C ATOM 550 CG GLU A 37 -3.228 4.830 8.817 1.00 0.00 C ATOM 551 CD GLU A 37 -4.226 5.754 9.519 1.00 0.00 C ATOM 552 OE1 GLU A 37 -4.550 5.455 10.689 1.00 0.00 O ATOM 553 OE2 GLU A 37 -4.642 6.738 8.870 1.00 0.00 O ATOM 0 H GLU A 37 -1.576 2.676 6.807 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.834 2.071 9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.276 3.710 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.788 3.346 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.424 4.568 9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.771 5.353 7.977 1.00 0.00 H new ATOM 560 N ALA A 38 -4.428 0.460 8.241 1.00 0.00 N ATOM 561 CA ALA A 38 -5.058 -0.698 7.630 1.00 0.00 C ATOM 562 C ALA A 38 -6.520 -0.773 8.075 1.00 0.00 C ATOM 563 O ALA A 38 -6.804 -1.013 9.247 1.00 0.00 O ATOM 564 CB ALA A 38 -4.272 -1.959 7.997 1.00 0.00 C ATOM 0 H ALA A 38 -4.734 0.659 9.194 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.048 -0.611 6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.744 -2.828 7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.248 -1.868 7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.263 -2.080 9.080 1.00 0.00 H new ATOM 570 N ASN A 39 -7.408 -0.563 7.115 1.00 0.00 N ATOM 571 CA ASN A 39 -8.834 -0.603 7.393 1.00 0.00 C ATOM 572 C ASN A 39 -9.549 -1.345 6.262 1.00 0.00 C ATOM 573 O ASN A 39 -9.121 -1.288 5.110 1.00 0.00 O ATOM 574 CB ASN A 39 -9.419 0.808 7.478 1.00 0.00 C ATOM 575 CG ASN A 39 -8.660 1.656 8.500 1.00 0.00 C ATOM 576 OD1 ASN A 39 -9.065 1.812 9.640 1.00 0.00 O ATOM 577 ND2 ASN A 39 -7.538 2.195 8.029 1.00 0.00 N ATOM 0 H ASN A 39 -7.168 -0.365 6.144 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.977 -1.110 8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.372 1.284 6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.472 0.753 7.756 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.960 2.779 8.633 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.256 2.024 7.064 1.00 0.00 H new ATOM 584 N ILE A 40 -10.626 -2.023 6.630 1.00 0.00 N ATOM 585 CA ILE A 40 -11.405 -2.774 5.661 1.00 0.00 C ATOM 586 C ILE A 40 -11.777 -1.859 4.492 1.00 0.00 C ATOM 587 O ILE A 40 -11.790 -0.638 4.635 1.00 0.00 O ATOM 588 CB ILE A 40 -12.611 -3.431 6.335 1.00 0.00 C ATOM 589 CG1 ILE A 40 -13.499 -2.384 7.011 1.00 0.00 C ATOM 590 CG2 ILE A 40 -12.166 -4.522 7.312 1.00 0.00 C ATOM 591 CD1 ILE A 40 -14.791 -3.016 7.532 1.00 0.00 C ATOM 0 H ILE A 40 -10.978 -2.068 7.586 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.814 -3.593 5.250 1.00 0.00 H new ATOM 0 HB ILE A 40 -13.212 -3.914 5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -12.958 -1.921 7.836 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -13.738 -1.592 6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.042 -4.973 7.778 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.607 -5.287 6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.531 -4.084 8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.404 -2.251 8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -15.341 -3.457 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -14.549 -3.791 8.259 1.00 0.00 H new ATOM 954 N ILE A 63 -10.309 -8.734 2.328 1.00 0.00 N ATOM 955 CA ILE A 63 -9.582 -7.685 1.634 1.00 0.00 C ATOM 956 C ILE A 63 -9.608 -6.409 2.478 1.00 0.00 C ATOM 957 O ILE A 63 -10.671 -5.972 2.916 1.00 0.00 O ATOM 958 CB ILE A 63 -10.131 -7.498 0.219 1.00 0.00 C ATOM 959 CG1 ILE A 63 -9.657 -8.620 -0.706 1.00 0.00 C ATOM 960 CG2 ILE A 63 -9.776 -6.114 -0.329 1.00 0.00 C ATOM 961 CD1 ILE A 63 -8.332 -8.255 -1.377 1.00 0.00 C ATOM 0 HA ILE A 63 -8.536 -7.965 1.510 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.218 -7.557 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.538 -9.541 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.413 -8.812 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.178 -6.007 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.204 -5.347 0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.692 -6.001 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.018 -9.070 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.461 -7.347 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.572 -8.087 -0.614 1.00 0.00 H new ATOM 973 N VAL A 64 -8.425 -5.847 2.680 1.00 0.00 N ATOM 974 CA VAL A 64 -8.299 -4.630 3.463 1.00 0.00 C ATOM 975 C VAL A 64 -7.328 -3.677 2.763 1.00 0.00 C ATOM 976 O VAL A 64 -6.293 -4.103 2.253 1.00 0.00 O ATOM 977 CB VAL A 64 -7.875 -4.970 4.894 1.00 0.00 C ATOM 978 CG1 VAL A 64 -7.599 -3.699 5.700 1.00 0.00 C ATOM 979 CG2 VAL A 64 -8.927 -5.840 5.585 1.00 0.00 C ATOM 0 H VAL A 64 -7.545 -6.212 2.315 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.260 -4.121 3.535 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.949 -5.542 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.300 -3.968 6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.799 -3.133 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.502 -3.089 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.601 -6.067 6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.876 -5.305 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.054 -6.768 5.028 1.00 0.00 H new ATOM 989 N GLU A 65 -7.697 -2.404 2.762 1.00 0.00 N ATOM 990 CA GLU A 65 -6.872 -1.387 2.133 1.00 0.00 C ATOM 991 C GLU A 65 -5.951 -0.735 3.168 1.00 0.00 C ATOM 992 O GLU A 65 -6.419 -0.047 4.074 1.00 0.00 O ATOM 993 CB GLU A 65 -7.735 -0.338 1.430 1.00 0.00 C ATOM 994 CG GLU A 65 -8.123 -0.800 0.024 1.00 0.00 C ATOM 995 CD GLU A 65 -9.294 0.022 -0.520 1.00 0.00 C ATOM 996 OE1 GLU A 65 -9.758 0.911 0.226 1.00 0.00 O ATOM 997 OE2 GLU A 65 -9.698 -0.259 -1.669 1.00 0.00 O ATOM 0 H GLU A 65 -8.556 -2.054 3.187 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.253 -1.867 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.635 -0.150 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.191 0.605 1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.266 -0.705 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.394 -1.855 0.046 1.00 0.00 H new ATOM 1004 N CYS A 66 -4.660 -0.975 2.998 1.00 0.00 N ATOM 1005 CA CYS A 66 -3.670 -0.420 3.905 1.00 0.00 C ATOM 1006 C CYS A 66 -2.901 0.676 3.165 1.00 0.00 C ATOM 1007 O CYS A 66 -2.737 0.611 1.948 1.00 0.00 O ATOM 1008 CB CYS A 66 -2.736 -1.501 4.454 1.00 0.00 C ATOM 1009 SG CYS A 66 -3.706 -2.971 4.952 1.00 0.00 S ATOM 0 H CYS A 66 -4.276 -1.547 2.245 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.170 0.011 4.773 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.002 -1.778 3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.181 -1.114 5.309 1.00 0.00 H new ATOM 0 HG CYS A 66 -2.945 -3.788 5.617 1.00 0.00 H new ATOM 1015 N LEU A 67 -2.449 1.659 3.932 1.00 0.00 N ATOM 1016 CA LEU A 67 -1.702 2.768 3.364 1.00 0.00 C ATOM 1017 C LEU A 67 -0.204 2.478 3.478 1.00 0.00 C ATOM 1018 O LEU A 67 0.319 2.316 4.580 1.00 0.00 O ATOM 1019 CB LEU A 67 -2.124 4.087 4.014 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.629 5.361 3.327 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -2.199 5.478 1.912 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -1.940 6.597 4.174 1.00 0.00 C ATOM 0 H LEU A 67 -2.586 1.710 4.941 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.927 2.876 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.213 4.118 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.768 4.092 5.044 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.545 5.299 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.831 6.392 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.885 4.618 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.288 5.507 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.578 7.489 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.017 6.676 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.447 6.508 5.142 1.00 0.00 H new ATOM 1034 N ILE A 68 0.445 2.421 2.324 1.00 0.00 N ATOM 1035 CA ILE A 68 1.872 2.154 2.280 1.00 0.00 C ATOM 1036 C ILE A 68 2.547 3.161 1.346 1.00 0.00 C ATOM 1037 O ILE A 68 1.915 3.683 0.429 1.00 0.00 O ATOM 1038 CB ILE A 68 2.133 0.695 1.902 1.00 0.00 C ATOM 1039 CG1 ILE A 68 2.049 0.498 0.387 1.00 0.00 C ATOM 1040 CG2 ILE A 68 1.189 -0.244 2.655 1.00 0.00 C ATOM 1041 CD1 ILE A 68 0.695 0.964 -0.153 1.00 0.00 C ATOM 0 H ILE A 68 0.008 2.555 1.412 1.00 0.00 H new ATOM 0 HA ILE A 68 2.315 2.288 3.267 1.00 0.00 H new ATOM 0 HB ILE A 68 3.149 0.440 2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.850 1.054 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.198 -0.554 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.396 -1.275 2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.341 -0.129 3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.157 0.002 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.662 0.813 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.102 0.389 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.559 2.022 0.069 1.00 0.00 H new ATOM 1053 N GLY A 69 3.822 3.405 1.612 1.00 0.00 N ATOM 1054 CA GLY A 69 4.589 4.340 0.807 1.00 0.00 C ATOM 1055 C GLY A 69 5.991 4.539 1.385 1.00 0.00 C ATOM 1056 O GLY A 69 6.405 3.810 2.285 1.00 0.00 O ATOM 0 H GLY A 69 4.343 2.971 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.663 3.970 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.071 5.298 0.763 1.00 0.00 H new ATOM 1060 N ASP A 70 6.685 5.530 0.845 1.00 0.00 N ATOM 1061 CA ASP A 70 8.032 5.834 1.295 1.00 0.00 C ATOM 1062 C ASP A 70 8.156 7.340 1.537 1.00 0.00 C ATOM 1063 O ASP A 70 7.192 8.083 1.361 1.00 0.00 O ATOM 1064 CB ASP A 70 9.068 5.438 0.242 1.00 0.00 C ATOM 1065 CG ASP A 70 10.467 5.147 0.788 1.00 0.00 C ATOM 1066 OD1 ASP A 70 10.772 5.677 1.878 1.00 0.00 O ATOM 1067 OD2 ASP A 70 11.200 4.401 0.103 1.00 0.00 O ATOM 0 H ASP A 70 6.339 6.133 0.099 1.00 0.00 H new ATOM 0 HA ASP A 70 8.216 5.272 2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.709 4.554 -0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.141 6.239 -0.493 1.00 0.00 H new ATOM 1072 N GLU A 71 9.352 7.746 1.939 1.00 0.00 N ATOM 1073 CA GLU A 71 9.615 9.149 2.207 1.00 0.00 C ATOM 1074 C GLU A 71 9.029 10.021 1.095 1.00 0.00 C ATOM 1075 O GLU A 71 8.706 11.186 1.320 1.00 0.00 O ATOM 1076 CB GLU A 71 11.115 9.405 2.370 1.00 0.00 C ATOM 1077 CG GLU A 71 11.898 8.854 1.177 1.00 0.00 C ATOM 1078 CD GLU A 71 13.398 9.110 1.340 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.796 10.282 1.167 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.112 8.128 1.634 1.00 0.00 O ATOM 0 H GLU A 71 10.149 7.127 2.085 1.00 0.00 H new ATOM 0 HA GLU A 71 9.130 9.416 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.297 10.476 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.469 8.938 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.716 7.783 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.544 9.321 0.258 1.00 0.00 H new ATOM 1087 N THR A 72 8.909 9.423 -0.081 1.00 0.00 N ATOM 1088 CA THR A 72 8.366 10.130 -1.229 1.00 0.00 C ATOM 1089 C THR A 72 6.855 10.315 -1.076 1.00 0.00 C ATOM 1090 O THR A 72 6.392 11.394 -0.711 1.00 0.00 O ATOM 1091 CB THR A 72 8.760 9.358 -2.490 1.00 0.00 C ATOM 1092 OG1 THR A 72 8.519 7.995 -2.151 1.00 0.00 O ATOM 1093 CG2 THR A 72 10.264 9.413 -2.764 1.00 0.00 C ATOM 0 H THR A 72 9.179 8.456 -0.264 1.00 0.00 H new ATOM 0 HA THR A 72 8.778 11.136 -1.305 1.00 0.00 H new ATOM 0 HB THR A 72 8.220 9.762 -3.347 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.358 7.491 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.490 8.850 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.572 10.450 -2.896 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.803 8.978 -1.922 1.00 0.00 H new ATOM 1101 N GLY A 73 6.129 9.245 -1.364 1.00 0.00 N ATOM 1102 CA GLY A 73 4.680 9.275 -1.264 1.00 0.00 C ATOM 1103 C GLY A 73 4.124 7.891 -0.924 1.00 0.00 C ATOM 1104 O GLY A 73 4.884 6.967 -0.637 1.00 0.00 O ATOM 0 H GLY A 73 6.517 8.352 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.380 9.990 -0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.254 9.620 -2.206 1.00 0.00 H new ATOM 1108 N CYS A 74 2.804 7.791 -0.966 1.00 0.00 N ATOM 1109 CA CYS A 74 2.138 6.535 -0.666 1.00 0.00 C ATOM 1110 C CYS A 74 1.040 6.312 -1.708 1.00 0.00 C ATOM 1111 O CYS A 74 0.704 7.222 -2.464 1.00 0.00 O ATOM 1112 CB CYS A 74 1.585 6.515 0.760 1.00 0.00 C ATOM 1113 SG CYS A 74 0.699 8.078 1.110 1.00 0.00 S ATOM 0 H CYS A 74 2.177 8.560 -1.203 1.00 0.00 H new ATOM 0 HA CYS A 74 2.857 5.718 -0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.910 5.669 0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.399 6.381 1.473 1.00 0.00 H new ATOM 0 HG CYS A 74 0.231 8.050 2.323 1.00 0.00 H new ATOM 1119 N ILE A 75 0.511 5.097 -1.713 1.00 0.00 N ATOM 1120 CA ILE A 75 -0.542 4.744 -2.649 1.00 0.00 C ATOM 1121 C ILE A 75 -1.464 3.706 -2.005 1.00 0.00 C ATOM 1122 O ILE A 75 -1.103 3.084 -1.007 1.00 0.00 O ATOM 1123 CB ILE A 75 0.056 4.291 -3.983 1.00 0.00 C ATOM 1124 CG1 ILE A 75 0.143 2.765 -4.055 1.00 0.00 C ATOM 1125 CG2 ILE A 75 1.413 4.955 -4.229 1.00 0.00 C ATOM 1126 CD1 ILE A 75 1.183 2.228 -3.070 1.00 0.00 C ATOM 0 H ILE A 75 0.792 4.345 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.154 5.616 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.610 4.613 -4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.832 2.331 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.405 2.460 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.816 4.616 -5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.290 6.038 -4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.101 4.685 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.225 1.141 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.161 2.645 -3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.905 2.514 -2.056 1.00 0.00 H new ATOM 1138 N LEU A 76 -2.636 3.551 -2.602 1.00 0.00 N ATOM 1139 CA LEU A 76 -3.613 2.600 -2.099 1.00 0.00 C ATOM 1140 C LEU A 76 -3.299 1.211 -2.659 1.00 0.00 C ATOM 1141 O LEU A 76 -3.460 0.968 -3.854 1.00 0.00 O ATOM 1142 CB LEU A 76 -5.034 3.079 -2.403 1.00 0.00 C ATOM 1143 CG LEU A 76 -5.993 3.129 -1.212 1.00 0.00 C ATOM 1144 CD1 LEU A 76 -6.788 4.436 -1.203 1.00 0.00 C ATOM 1145 CD2 LEU A 76 -6.908 1.902 -1.194 1.00 0.00 C ATOM 0 H LEU A 76 -2.932 4.068 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.552 2.529 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.975 4.076 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.462 2.424 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.402 3.105 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.462 4.446 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.101 5.279 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.368 4.515 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.580 1.962 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.493 1.871 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.303 0.998 -1.118 1.00 0.00 H new ATOM 1157 N PHE A 77 -2.858 0.335 -1.768 1.00 0.00 N ATOM 1158 CA PHE A 77 -2.521 -1.024 -2.157 1.00 0.00 C ATOM 1159 C PHE A 77 -3.474 -2.032 -1.512 1.00 0.00 C ATOM 1160 O PHE A 77 -3.880 -1.860 -0.363 1.00 0.00 O ATOM 1161 CB PHE A 77 -1.100 -1.292 -1.659 1.00 0.00 C ATOM 1162 CG PHE A 77 -0.714 -2.773 -1.646 1.00 0.00 C ATOM 1163 CD1 PHE A 77 -1.286 -3.617 -0.746 1.00 0.00 C ATOM 1164 CD2 PHE A 77 0.200 -3.245 -2.535 1.00 0.00 C ATOM 1165 CE1 PHE A 77 -0.928 -4.991 -0.734 1.00 0.00 C ATOM 1166 CE2 PHE A 77 0.558 -4.620 -2.523 1.00 0.00 C ATOM 1167 CZ PHE A 77 -0.014 -5.463 -1.622 1.00 0.00 C ATOM 0 H PHE A 77 -2.726 0.540 -0.778 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.600 -1.132 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.396 -0.749 -2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.998 -0.892 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.013 -3.242 -0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.654 -2.575 -3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.382 -5.661 -0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.284 -4.995 -3.229 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.258 -6.508 -1.612 1.00 0.00 H new ATOM 1177 N THR A 78 -3.804 -3.061 -2.278 1.00 0.00 N ATOM 1178 CA THR A 78 -4.702 -4.096 -1.795 1.00 0.00 C ATOM 1179 C THR A 78 -3.906 -5.314 -1.321 1.00 0.00 C ATOM 1180 O THR A 78 -3.108 -5.870 -2.075 1.00 0.00 O ATOM 1181 CB THR A 78 -5.697 -4.418 -2.912 1.00 0.00 C ATOM 1182 OG1 THR A 78 -6.405 -3.198 -3.108 1.00 0.00 O ATOM 1183 CG2 THR A 78 -6.775 -5.408 -2.468 1.00 0.00 C ATOM 0 H THR A 78 -3.466 -3.200 -3.230 1.00 0.00 H new ATOM 0 HA THR A 78 -5.265 -3.757 -0.926 1.00 0.00 H new ATOM 0 HB THR A 78 -5.161 -4.826 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.071 -3.316 -3.818 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.455 -5.602 -3.298 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.306 -6.342 -2.157 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.334 -4.987 -1.632 1.00 0.00 H new ATOM 1191 N ALA A 79 -4.150 -5.692 -0.075 1.00 0.00 N ATOM 1192 CA ALA A 79 -3.466 -6.834 0.508 1.00 0.00 C ATOM 1193 C ALA A 79 -4.471 -7.966 0.731 1.00 0.00 C ATOM 1194 O ALA A 79 -5.548 -7.744 1.282 1.00 0.00 O ATOM 1195 CB ALA A 79 -2.772 -6.406 1.803 1.00 0.00 C ATOM 0 H ALA A 79 -4.812 -5.228 0.547 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.696 -7.206 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.259 -7.262 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.048 -5.621 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.515 -6.029 2.506 1.00 0.00 H new ATOM 1201 N ARG A 80 -4.082 -9.154 0.292 1.00 0.00 N ATOM 1202 CA ARG A 80 -4.936 -10.321 0.437 1.00 0.00 C ATOM 1203 C ARG A 80 -4.988 -10.762 1.902 1.00 0.00 C ATOM 1204 O ARG A 80 -4.170 -10.330 2.713 1.00 0.00 O ATOM 1205 CB ARG A 80 -4.430 -11.483 -0.420 1.00 0.00 C ATOM 1206 CG ARG A 80 -4.596 -11.177 -1.910 1.00 0.00 C ATOM 1207 CD ARG A 80 -5.571 -12.157 -2.566 1.00 0.00 C ATOM 1208 NE ARG A 80 -4.862 -12.981 -3.570 1.00 0.00 N ATOM 1209 CZ ARG A 80 -5.451 -13.923 -4.319 1.00 0.00 C ATOM 1210 NH1 ARG A 80 -6.761 -14.166 -4.183 1.00 0.00 N ATOM 1211 NH2 ARG A 80 -4.728 -14.623 -5.205 1.00 0.00 N ATOM 0 H ARG A 80 -3.187 -9.334 -0.164 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.935 -10.045 0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.380 -11.673 -0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.978 -12.391 -0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.959 -10.157 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.628 -11.235 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.019 -12.799 -1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.385 -11.610 -3.042 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.863 -12.822 -3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.311 -13.634 -3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.209 -14.883 -4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.730 -14.438 -5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.176 -15.340 -5.775 1.00 0.00 H new ATOM 1225 N ASN A 81 -5.957 -11.616 2.195 1.00 0.00 N ATOM 1226 CA ASN A 81 -6.126 -12.120 3.547 1.00 0.00 C ATOM 1227 C ASN A 81 -4.769 -12.571 4.092 1.00 0.00 C ATOM 1228 O ASN A 81 -4.576 -12.640 5.305 1.00 0.00 O ATOM 1229 CB ASN A 81 -7.069 -13.324 3.572 1.00 0.00 C ATOM 1230 CG ASN A 81 -6.439 -14.530 2.872 1.00 0.00 C ATOM 1231 OD1 ASN A 81 -5.694 -14.405 1.914 1.00 0.00 O ATOM 1232 ND2 ASN A 81 -6.776 -15.701 3.403 1.00 0.00 N ATOM 0 H ASN A 81 -6.633 -11.972 1.519 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.547 -11.319 4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.308 -13.582 4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.008 -13.065 3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.406 -16.566 3.008 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.405 -15.735 4.205 1.00 0.00 H new ATOM 1239 N ASP A 82 -3.865 -12.866 3.170 1.00 0.00 N ATOM 1240 CA ASP A 82 -2.532 -13.309 3.543 1.00 0.00 C ATOM 1241 C ASP A 82 -1.618 -12.091 3.688 1.00 0.00 C ATOM 1242 O ASP A 82 -1.095 -11.828 4.770 1.00 0.00 O ATOM 1243 CB ASP A 82 -1.936 -14.223 2.471 1.00 0.00 C ATOM 1244 CG ASP A 82 -2.265 -15.709 2.632 1.00 0.00 C ATOM 1245 OD1 ASP A 82 -3.435 -16.062 2.371 1.00 0.00 O ATOM 1246 OD2 ASP A 82 -1.339 -16.457 3.014 1.00 0.00 O ATOM 0 H ASP A 82 -4.029 -12.807 2.165 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.608 -13.857 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.290 -13.892 1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.853 -14.104 2.475 1.00 0.00 H new ATOM 1251 N GLN A 83 -1.452 -11.380 2.582 1.00 0.00 N ATOM 1252 CA GLN A 83 -0.609 -10.196 2.572 1.00 0.00 C ATOM 1253 C GLN A 83 -1.053 -9.220 3.664 1.00 0.00 C ATOM 1254 O GLN A 83 -0.220 -8.578 4.302 1.00 0.00 O ATOM 1255 CB GLN A 83 -0.623 -9.525 1.198 1.00 0.00 C ATOM 1256 CG GLN A 83 -0.138 -10.488 0.112 1.00 0.00 C ATOM 1257 CD GLN A 83 -0.752 -10.138 -1.245 1.00 0.00 C ATOM 1258 OE1 GLN A 83 -1.553 -10.871 -1.801 1.00 0.00 O ATOM 1259 NE2 GLN A 83 -0.332 -8.979 -1.746 1.00 0.00 N ATOM 0 H GLN A 83 -1.887 -11.601 1.686 1.00 0.00 H new ATOM 0 HA GLN A 83 0.416 -10.502 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.633 -9.187 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.013 -8.640 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.949 -10.448 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.403 -11.510 0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.341 -8.413 -1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.683 -8.656 -2.648 1.00 0.00 H new ATOM 1268 N VAL A 84 -2.363 -9.140 3.845 1.00 0.00 N ATOM 1269 CA VAL A 84 -2.927 -8.253 4.848 1.00 0.00 C ATOM 1270 C VAL A 84 -2.035 -8.264 6.091 1.00 0.00 C ATOM 1271 O VAL A 84 -1.727 -7.211 6.648 1.00 0.00 O ATOM 1272 CB VAL A 84 -4.373 -8.653 5.146 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -4.426 -9.869 6.072 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -5.155 -7.478 5.738 1.00 0.00 C ATOM 0 H VAL A 84 -3.050 -9.675 3.314 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.957 -7.228 4.479 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.845 -8.930 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.465 -10.132 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.922 -10.710 5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.928 -9.632 7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.180 -7.788 5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.682 -7.157 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.160 -6.650 5.029 1.00 0.00 H new ATOM 1284 N ASP A 85 -1.646 -9.466 6.490 1.00 0.00 N ATOM 1285 CA ASP A 85 -0.796 -9.628 7.658 1.00 0.00 C ATOM 1286 C ASP A 85 0.523 -8.885 7.430 1.00 0.00 C ATOM 1287 O ASP A 85 0.937 -8.080 8.262 1.00 0.00 O ATOM 1288 CB ASP A 85 -0.471 -11.102 7.902 1.00 0.00 C ATOM 1289 CG ASP A 85 -1.157 -11.722 9.122 1.00 0.00 C ATOM 1290 OD1 ASP A 85 -1.795 -10.948 9.868 1.00 0.00 O ATOM 1291 OD2 ASP A 85 -1.027 -12.955 9.281 1.00 0.00 O ATOM 0 H ASP A 85 -1.903 -10.337 6.026 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.329 -9.228 8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.753 -11.672 7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.608 -11.206 8.018 1.00 0.00 H new ATOM 1296 N LEU A 86 1.145 -9.182 6.299 1.00 0.00 N ATOM 1297 CA LEU A 86 2.407 -8.553 5.951 1.00 0.00 C ATOM 1298 C LEU A 86 2.190 -7.048 5.773 1.00 0.00 C ATOM 1299 O LEU A 86 3.104 -6.256 5.995 1.00 0.00 O ATOM 1300 CB LEU A 86 3.027 -9.233 4.729 1.00 0.00 C ATOM 1301 CG LEU A 86 3.934 -10.431 5.016 1.00 0.00 C ATOM 1302 CD1 LEU A 86 4.227 -11.216 3.736 1.00 0.00 C ATOM 1303 CD2 LEU A 86 5.217 -9.990 5.725 1.00 0.00 C ATOM 0 H LEU A 86 0.798 -9.851 5.611 1.00 0.00 H new ATOM 0 HA LEU A 86 3.130 -8.679 6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.221 -9.562 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.603 -8.490 4.178 1.00 0.00 H new ATOM 0 HG LEU A 86 3.407 -11.104 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.874 -12.062 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.292 -11.580 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.724 -10.566 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.844 -10.861 5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.758 -9.286 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.964 -9.509 6.670 1.00 0.00 H new ATOM 1315 N MET A 87 0.975 -6.701 5.376 1.00 0.00 N ATOM 1316 CA MET A 87 0.627 -5.306 5.166 1.00 0.00 C ATOM 1317 C MET A 87 -0.054 -4.719 6.404 1.00 0.00 C ATOM 1318 O MET A 87 -1.007 -3.950 6.287 1.00 0.00 O ATOM 1319 CB MET A 87 -0.312 -5.190 3.963 1.00 0.00 C ATOM 1320 CG MET A 87 0.323 -5.798 2.711 1.00 0.00 C ATOM 1321 SD MET A 87 1.726 -4.819 2.201 1.00 0.00 S ATOM 1322 CE MET A 87 0.994 -3.191 2.228 1.00 0.00 C ATOM 0 H MET A 87 0.219 -7.361 5.194 1.00 0.00 H new ATOM 0 HA MET A 87 1.543 -4.746 4.978 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.252 -5.697 4.181 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.549 -4.142 3.782 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.638 -6.822 2.913 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.411 -5.843 1.906 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.467 -2.567 1.470 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.073 -3.268 2.020 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.141 -2.742 3.210 1.00 0.00 H new ATOM 1332 N LYS A 88 0.463 -5.103 7.562 1.00 0.00 N ATOM 1333 CA LYS A 88 -0.083 -4.624 8.820 1.00 0.00 C ATOM 1334 C LYS A 88 0.309 -3.158 9.016 1.00 0.00 C ATOM 1335 O LYS A 88 1.291 -2.692 8.441 1.00 0.00 O ATOM 1336 CB LYS A 88 0.346 -5.535 9.972 1.00 0.00 C ATOM 1337 CG LYS A 88 -0.722 -6.591 10.264 1.00 0.00 C ATOM 1338 CD LYS A 88 -1.181 -6.518 11.722 1.00 0.00 C ATOM 1339 CE LYS A 88 -1.123 -7.896 12.384 1.00 0.00 C ATOM 1340 NZ LYS A 88 -2.486 -8.448 12.553 1.00 0.00 N ATOM 0 H LYS A 88 1.254 -5.740 7.655 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.172 -4.663 8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.287 -6.024 9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.525 -4.937 10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.576 -6.443 9.602 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.324 -7.584 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.550 -5.820 12.271 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.199 -6.131 11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.523 -8.573 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.632 -7.819 13.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.428 -9.383 13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.047 -7.809 13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.941 -8.540 11.622 1.00 0.00 H new ATOM 1354 N PRO A 89 -0.500 -2.454 9.853 1.00 0.00 N ATOM 1355 CA PRO A 89 -0.247 -1.050 10.132 1.00 0.00 C ATOM 1356 C PRO A 89 0.939 -0.886 11.084 1.00 0.00 C ATOM 1357 O PRO A 89 1.014 -1.560 12.110 1.00 0.00 O ATOM 1358 CB PRO A 89 -1.551 -0.524 10.710 1.00 0.00 C ATOM 1359 CG PRO A 89 -2.330 -1.747 11.165 1.00 0.00 C ATOM 1360 CD PRO A 89 -1.672 -2.973 10.552 1.00 0.00 C ATOM 0 HA PRO A 89 0.035 -0.487 9.242 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.364 0.152 11.544 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.110 0.039 9.963 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.329 -1.817 12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.371 -1.675 10.851 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.389 -3.695 11.318 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.348 -3.484 9.866 1.00 0.00 H new ATOM 1368 N GLY A 90 1.836 0.015 10.711 1.00 0.00 N ATOM 1369 CA GLY A 90 3.015 0.277 11.518 1.00 0.00 C ATOM 1370 C GLY A 90 4.120 -0.739 11.221 1.00 0.00 C ATOM 1371 O GLY A 90 5.026 -0.931 12.031 1.00 0.00 O ATOM 0 H GLY A 90 1.770 0.573 9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.380 1.285 11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.753 0.236 12.575 1.00 0.00 H new ATOM 1375 N ALA A 91 4.008 -1.364 10.058 1.00 0.00 N ATOM 1376 CA ALA A 91 4.986 -2.355 9.645 1.00 0.00 C ATOM 1377 C ALA A 91 5.565 -1.958 8.285 1.00 0.00 C ATOM 1378 O ALA A 91 4.910 -1.267 7.506 1.00 0.00 O ATOM 1379 CB ALA A 91 4.332 -3.738 9.619 1.00 0.00 C ATOM 0 H ALA A 91 3.255 -1.203 9.389 1.00 0.00 H new ATOM 0 HA ALA A 91 5.812 -2.398 10.355 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.066 -4.482 9.309 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.963 -3.985 10.615 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.500 -3.734 8.915 1.00 0.00 H new ATOM 1385 N THR A 92 6.785 -2.413 8.041 1.00 0.00 N ATOM 1386 CA THR A 92 7.459 -2.114 6.789 1.00 0.00 C ATOM 1387 C THR A 92 7.669 -3.394 5.977 1.00 0.00 C ATOM 1388 O THR A 92 8.154 -4.394 6.504 1.00 0.00 O ATOM 1389 CB THR A 92 8.761 -1.381 7.116 1.00 0.00 C ATOM 1390 OG1 THR A 92 8.332 -0.137 7.661 1.00 0.00 O ATOM 1391 CG2 THR A 92 9.543 -0.988 5.861 1.00 0.00 C ATOM 0 H THR A 92 7.324 -2.987 8.689 1.00 0.00 H new ATOM 0 HA THR A 92 6.853 -1.463 6.159 1.00 0.00 H new ATOM 0 HB THR A 92 9.384 -2.013 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.382 -0.174 8.639 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.458 -0.471 6.150 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.796 -1.884 5.294 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.933 -0.329 5.244 1.00 0.00 H new ATOM 1399 N VAL A 93 7.294 -3.321 4.709 1.00 0.00 N ATOM 1400 CA VAL A 93 7.435 -4.461 3.819 1.00 0.00 C ATOM 1401 C VAL A 93 7.859 -3.972 2.433 1.00 0.00 C ATOM 1402 O VAL A 93 7.711 -2.793 2.115 1.00 0.00 O ATOM 1403 CB VAL A 93 6.137 -5.271 3.796 1.00 0.00 C ATOM 1404 CG1 VAL A 93 5.896 -5.958 5.141 1.00 0.00 C ATOM 1405 CG2 VAL A 93 4.948 -4.389 3.410 1.00 0.00 C ATOM 0 H VAL A 93 6.892 -2.489 4.276 1.00 0.00 H new ATOM 0 HA VAL A 93 8.215 -5.132 4.179 1.00 0.00 H new ATOM 0 HB VAL A 93 6.239 -6.047 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.967 -6.527 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.725 -6.632 5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.824 -5.205 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.038 -4.989 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.843 -3.582 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.114 -3.967 2.419 1.00 0.00 H new ATOM 1415 N ILE A 94 8.380 -4.902 1.646 1.00 0.00 N ATOM 1416 CA ILE A 94 8.827 -4.580 0.301 1.00 0.00 C ATOM 1417 C ILE A 94 7.905 -5.259 -0.714 1.00 0.00 C ATOM 1418 O ILE A 94 7.207 -6.215 -0.382 1.00 0.00 O ATOM 1419 CB ILE A 94 10.304 -4.940 0.127 1.00 0.00 C ATOM 1420 CG1 ILE A 94 11.204 -3.892 0.785 1.00 0.00 C ATOM 1421 CG2 ILE A 94 10.648 -5.145 -1.349 1.00 0.00 C ATOM 1422 CD1 ILE A 94 12.647 -4.391 0.880 1.00 0.00 C ATOM 0 H ILE A 94 8.503 -5.879 1.914 1.00 0.00 H new ATOM 0 HA ILE A 94 8.761 -3.506 0.124 1.00 0.00 H new ATOM 0 HB ILE A 94 10.487 -5.887 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.172 -2.967 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.829 -3.660 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.703 -5.400 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.041 -5.954 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.445 -4.227 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 94 13.266 -3.627 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.678 -5.303 1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.027 -4.599 -0.120 1.00 0.00 H new ATOM 1434 N LEU A 95 7.932 -4.736 -1.931 1.00 0.00 N ATOM 1435 CA LEU A 95 7.107 -5.280 -2.997 1.00 0.00 C ATOM 1436 C LEU A 95 7.997 -5.652 -4.185 1.00 0.00 C ATOM 1437 O LEU A 95 8.665 -4.793 -4.758 1.00 0.00 O ATOM 1438 CB LEU A 95 5.982 -4.306 -3.353 1.00 0.00 C ATOM 1439 CG LEU A 95 4.571 -4.733 -2.944 1.00 0.00 C ATOM 1440 CD1 LEU A 95 4.446 -4.827 -1.422 1.00 0.00 C ATOM 1441 CD2 LEU A 95 3.519 -3.801 -3.549 1.00 0.00 C ATOM 0 H LEU A 95 8.512 -3.942 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 95 6.614 -6.195 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.199 -3.345 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.994 -4.147 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 95 4.386 -5.730 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.433 -5.132 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.157 -5.562 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.659 -3.854 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.525 -4.127 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.691 -2.783 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.591 -3.828 -4.636 1.00 0.00 H new ATOM 1453 N ARG A 96 7.977 -6.934 -4.519 1.00 0.00 N ATOM 1454 CA ARG A 96 8.773 -7.431 -5.628 1.00 0.00 C ATOM 1455 C ARG A 96 7.865 -7.886 -6.772 1.00 0.00 C ATOM 1456 O ARG A 96 7.003 -8.743 -6.582 1.00 0.00 O ATOM 1457 CB ARG A 96 9.657 -8.601 -5.191 1.00 0.00 C ATOM 1458 CG ARG A 96 10.847 -8.111 -4.365 1.00 0.00 C ATOM 1459 CD ARG A 96 11.336 -9.199 -3.408 1.00 0.00 C ATOM 1460 NE ARG A 96 12.453 -9.950 -4.023 1.00 0.00 N ATOM 1461 CZ ARG A 96 12.796 -11.200 -3.683 1.00 0.00 C ATOM 1462 NH1 ARG A 96 12.110 -11.847 -2.731 1.00 0.00 N ATOM 1463 NH2 ARG A 96 13.824 -11.804 -4.295 1.00 0.00 N ATOM 0 H ARG A 96 7.422 -7.644 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 96 9.411 -6.616 -5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.069 -9.307 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.016 -9.138 -6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.658 -7.815 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.560 -7.225 -3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.662 -8.750 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.518 -9.879 -3.169 1.00 0.00 H new ATOM 0 HE ARG A 96 12.996 -9.487 -4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.327 -11.388 -2.265 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.371 -12.798 -2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.346 -11.312 -5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.084 -12.755 -4.035 1.00 0.00 H new ATOM 1477 N ASN A 97 8.089 -7.292 -7.935 1.00 0.00 N ATOM 1478 CA ASN A 97 7.301 -7.626 -9.109 1.00 0.00 C ATOM 1479 C ASN A 97 5.925 -6.966 -9.000 1.00 0.00 C ATOM 1480 O ASN A 97 4.981 -7.374 -9.675 1.00 0.00 O ATOM 1481 CB ASN A 97 7.093 -9.138 -9.222 1.00 0.00 C ATOM 1482 CG ASN A 97 7.388 -9.628 -10.641 1.00 0.00 C ATOM 1483 OD1 ASN A 97 8.499 -9.540 -11.138 1.00 0.00 O ATOM 1484 ND2 ASN A 97 6.334 -10.147 -11.264 1.00 0.00 N ATOM 0 H ASN A 97 8.805 -6.582 -8.089 1.00 0.00 H new ATOM 0 HA ASN A 97 7.839 -7.270 -9.988 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.743 -9.652 -8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.067 -9.389 -8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.428 -10.502 -12.216 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.432 -10.190 -10.790 1.00 0.00 H new ATOM 1491 N SER A 98 5.854 -5.958 -8.143 1.00 0.00 N ATOM 1492 CA SER A 98 4.609 -5.238 -7.936 1.00 0.00 C ATOM 1493 C SER A 98 4.236 -4.464 -9.201 1.00 0.00 C ATOM 1494 O SER A 98 5.065 -3.749 -9.763 1.00 0.00 O ATOM 1495 CB SER A 98 4.715 -4.287 -6.742 1.00 0.00 C ATOM 1496 OG SER A 98 5.863 -3.447 -6.829 1.00 0.00 O ATOM 0 H SER A 98 6.639 -5.623 -7.584 1.00 0.00 H new ATOM 0 HA SER A 98 3.826 -5.964 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.818 -3.670 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.759 -4.866 -5.820 1.00 0.00 H new ATOM 0 HG SER A 98 5.844 -2.790 -6.102 1.00 0.00 H new ATOM 1502 N ARG A 99 2.988 -4.631 -9.613 1.00 0.00 N ATOM 1503 CA ARG A 99 2.495 -3.956 -10.801 1.00 0.00 C ATOM 1504 C ARG A 99 1.596 -2.781 -10.410 1.00 0.00 C ATOM 1505 O ARG A 99 1.020 -2.770 -9.324 1.00 0.00 O ATOM 1506 CB ARG A 99 1.706 -4.917 -11.694 1.00 0.00 C ATOM 1507 CG ARG A 99 0.778 -5.802 -10.860 1.00 0.00 C ATOM 1508 CD ARG A 99 -0.252 -6.505 -11.747 1.00 0.00 C ATOM 1509 NE ARG A 99 -1.363 -5.579 -12.064 1.00 0.00 N ATOM 1510 CZ ARG A 99 -2.300 -5.821 -12.990 1.00 0.00 C ATOM 1511 NH1 ARG A 99 -2.268 -6.959 -13.696 1.00 0.00 N ATOM 1512 NH2 ARG A 99 -3.271 -4.924 -13.211 1.00 0.00 N ATOM 0 H ARG A 99 2.303 -5.224 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 99 3.359 -3.589 -11.355 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.120 -4.349 -12.417 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.396 -5.541 -12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.366 -6.545 -10.320 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.266 -5.196 -10.112 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.221 -6.847 -12.667 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.638 -7.389 -11.240 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.418 -4.703 -11.545 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.530 -7.642 -13.529 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.982 -7.142 -14.401 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.296 -4.057 -12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.985 -5.108 -13.916 1.00 0.00 H new ATOM 1526 N ILE A 100 1.505 -1.819 -11.318 1.00 0.00 N ATOM 1527 CA ILE A 100 0.687 -0.642 -11.081 1.00 0.00 C ATOM 1528 C ILE A 100 -0.594 -0.741 -11.912 1.00 0.00 C ATOM 1529 O ILE A 100 -0.537 -0.936 -13.125 1.00 0.00 O ATOM 1530 CB ILE A 100 1.493 0.632 -11.343 1.00 0.00 C ATOM 1531 CG1 ILE A 100 2.590 0.812 -10.292 1.00 0.00 C ATOM 1532 CG2 ILE A 100 0.575 1.853 -11.429 1.00 0.00 C ATOM 1533 CD1 ILE A 100 2.003 1.294 -8.963 1.00 0.00 C ATOM 0 H ILE A 100 1.984 -1.831 -12.218 1.00 0.00 H new ATOM 0 HA ILE A 100 0.386 -0.592 -10.035 1.00 0.00 H new ATOM 0 HB ILE A 100 1.987 0.532 -12.310 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.113 -0.133 -10.141 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.327 1.531 -10.650 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.173 2.745 -11.616 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.137 1.716 -12.243 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.034 1.969 -10.490 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.804 1.414 -8.234 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.502 2.250 -9.112 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.284 0.561 -8.596 1.00 0.00 H new ATOM 1545 N ASP A 101 -1.719 -0.603 -11.226 1.00 0.00 N ATOM 1546 CA ASP A 101 -3.011 -0.675 -11.886 1.00 0.00 C ATOM 1547 C ASP A 101 -3.483 0.740 -12.229 1.00 0.00 C ATOM 1548 O ASP A 101 -3.555 1.603 -11.356 1.00 0.00 O ATOM 1549 CB ASP A 101 -4.060 -1.314 -10.974 1.00 0.00 C ATOM 1550 CG ASP A 101 -3.568 -2.517 -10.167 1.00 0.00 C ATOM 1551 OD1 ASP A 101 -2.691 -2.300 -9.302 1.00 0.00 O ATOM 1552 OD2 ASP A 101 -4.079 -3.626 -10.432 1.00 0.00 O ATOM 0 H ASP A 101 -1.762 -0.442 -10.220 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.897 -1.280 -12.785 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.427 -0.557 -10.282 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.908 -1.627 -11.584 1.00 0.00 H new ATOM 1557 N MET A 102 -3.792 0.933 -13.503 1.00 0.00 N ATOM 1558 CA MET A 102 -4.254 2.228 -13.973 1.00 0.00 C ATOM 1559 C MET A 102 -5.715 2.463 -13.583 1.00 0.00 C ATOM 1560 O MET A 102 -6.624 1.929 -14.218 1.00 0.00 O ATOM 1561 CB MET A 102 -4.114 2.300 -15.494 1.00 0.00 C ATOM 1562 CG MET A 102 -3.504 3.635 -15.926 1.00 0.00 C ATOM 1563 SD MET A 102 -4.520 4.985 -15.349 1.00 0.00 S ATOM 1564 CE MET A 102 -3.302 5.923 -14.442 1.00 0.00 C ATOM 0 H MET A 102 -3.731 0.214 -14.224 1.00 0.00 H new ATOM 0 HA MET A 102 -3.643 3.001 -13.507 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.488 1.480 -15.844 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.092 2.175 -15.959 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.495 3.730 -15.524 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.419 3.671 -17.012 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.799 6.705 -13.868 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.764 5.261 -13.764 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.598 6.377 -15.140 1.00 0.00 H new ATOM 1574 N PHE A 103 -5.896 3.262 -12.542 1.00 0.00 N ATOM 1575 CA PHE A 103 -7.231 3.574 -12.061 1.00 0.00 C ATOM 1576 C PHE A 103 -7.767 4.847 -12.718 1.00 0.00 C ATOM 1577 O PHE A 103 -6.994 5.677 -13.193 1.00 0.00 O ATOM 1578 CB PHE A 103 -7.121 3.800 -10.552 1.00 0.00 C ATOM 1579 CG PHE A 103 -8.468 3.982 -9.850 1.00 0.00 C ATOM 1580 CD1 PHE A 103 -9.557 3.287 -10.277 1.00 0.00 C ATOM 1581 CD2 PHE A 103 -8.578 4.839 -8.799 1.00 0.00 C ATOM 1582 CE1 PHE A 103 -10.807 3.456 -9.625 1.00 0.00 C ATOM 1583 CE2 PHE A 103 -9.828 5.008 -8.148 1.00 0.00 C ATOM 1584 CZ PHE A 103 -10.916 4.313 -8.575 1.00 0.00 C ATOM 0 H PHE A 103 -5.140 3.703 -12.018 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.913 2.759 -12.302 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.602 2.952 -10.105 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.507 4.682 -10.371 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -9.471 2.607 -11.112 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.714 5.391 -8.460 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -11.671 2.904 -9.963 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.915 5.688 -7.314 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.867 4.442 -8.080 1.00 0.00 H new ATOM 1594 N LYS A 104 -9.087 4.961 -12.723 1.00 0.00 N ATOM 1595 CA LYS A 104 -9.736 6.120 -13.313 1.00 0.00 C ATOM 1596 C LYS A 104 -8.958 7.382 -12.937 1.00 0.00 C ATOM 1597 O LYS A 104 -9.146 7.931 -11.852 1.00 0.00 O ATOM 1598 CB LYS A 104 -11.213 6.167 -12.917 1.00 0.00 C ATOM 1599 CG LYS A 104 -11.382 5.972 -11.409 1.00 0.00 C ATOM 1600 CD LYS A 104 -12.281 7.058 -10.814 1.00 0.00 C ATOM 1601 CE LYS A 104 -12.947 6.573 -9.524 1.00 0.00 C ATOM 1602 NZ LYS A 104 -14.155 7.375 -9.231 1.00 0.00 N ATOM 0 H LYS A 104 -9.725 4.270 -12.328 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.724 6.050 -14.401 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.643 7.124 -13.214 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.762 5.391 -13.451 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.812 4.990 -11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.406 5.996 -10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.691 7.951 -10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.045 7.340 -11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.216 5.521 -9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.244 6.648 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.594 7.033 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.889 8.374 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.832 7.283 -10.015 1.00 0.00 H new ATOM 1616 N GLY A 105 -8.099 7.805 -13.853 1.00 0.00 N ATOM 1617 CA GLY A 105 -7.292 8.992 -13.630 1.00 0.00 C ATOM 1618 C GLY A 105 -6.447 8.851 -12.363 1.00 0.00 C ATOM 1619 O GLY A 105 -6.339 9.791 -11.576 1.00 0.00 O ATOM 0 H GLY A 105 -7.945 7.347 -14.751 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.641 9.160 -14.488 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.939 9.865 -13.544 1.00 0.00 H new ATOM 1623 N THR A 106 -5.869 7.669 -12.204 1.00 0.00 N ATOM 1624 CA THR A 106 -5.037 7.393 -11.045 1.00 0.00 C ATOM 1625 C THR A 106 -4.405 6.004 -11.161 1.00 0.00 C ATOM 1626 O THR A 106 -4.600 5.311 -12.159 1.00 0.00 O ATOM 1627 CB THR A 106 -5.899 7.565 -9.792 1.00 0.00 C ATOM 1628 OG1 THR A 106 -7.236 7.514 -10.281 1.00 0.00 O ATOM 1629 CG2 THR A 106 -5.777 8.965 -9.186 1.00 0.00 C ATOM 0 H THR A 106 -5.960 6.892 -12.858 1.00 0.00 H new ATOM 0 HA THR A 106 -4.203 8.092 -10.982 1.00 0.00 H new ATOM 0 HB THR A 106 -5.612 6.821 -9.049 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.704 6.755 -9.875 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.408 9.034 -8.300 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.740 9.152 -8.908 1.00 0.00 H new ATOM 0 HG23 THR A 106 -6.096 9.707 -9.918 1.00 0.00 H new ATOM 1637 N MET A 107 -3.662 5.639 -10.127 1.00 0.00 N ATOM 1638 CA MET A 107 -3.000 4.346 -10.101 1.00 0.00 C ATOM 1639 C MET A 107 -2.922 3.799 -8.674 1.00 0.00 C ATOM 1640 O MET A 107 -3.297 4.482 -7.722 1.00 0.00 O ATOM 1641 CB MET A 107 -1.588 4.483 -10.673 1.00 0.00 C ATOM 1642 CG MET A 107 -0.970 5.829 -10.290 1.00 0.00 C ATOM 1643 SD MET A 107 -0.982 6.024 -8.516 1.00 0.00 S ATOM 1644 CE MET A 107 0.719 5.630 -8.148 1.00 0.00 C ATOM 0 H MET A 107 -3.504 6.216 -9.301 1.00 0.00 H new ATOM 0 HA MET A 107 -3.580 3.650 -10.706 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.961 3.672 -10.302 1.00 0.00 H new ATOM 0 HB3 MET A 107 -1.621 4.389 -11.758 1.00 0.00 H new ATOM 0 HG2 MET A 107 0.052 5.889 -10.664 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.528 6.641 -10.757 1.00 0.00 H new ATOM 0 HE1 MET A 107 0.877 5.669 -7.070 1.00 0.00 H new ATOM 0 HE2 MET A 107 0.947 4.628 -8.512 1.00 0.00 H new ATOM 0 HE3 MET A 107 1.374 6.352 -8.637 1.00 0.00 H new ATOM 1654 N ARG A 108 -2.433 2.572 -8.570 1.00 0.00 N ATOM 1655 CA ARG A 108 -2.301 1.925 -7.276 1.00 0.00 C ATOM 1656 C ARG A 108 -1.220 0.844 -7.330 1.00 0.00 C ATOM 1657 O ARG A 108 -0.781 0.454 -8.411 1.00 0.00 O ATOM 1658 CB ARG A 108 -3.624 1.292 -6.839 1.00 0.00 C ATOM 1659 CG ARG A 108 -4.632 2.364 -6.419 1.00 0.00 C ATOM 1660 CD ARG A 108 -5.905 1.728 -5.855 1.00 0.00 C ATOM 1661 NE ARG A 108 -6.951 1.677 -6.900 1.00 0.00 N ATOM 1662 CZ ARG A 108 -8.113 1.023 -6.768 1.00 0.00 C ATOM 1663 NH1 ARG A 108 -8.385 0.362 -5.635 1.00 0.00 N ATOM 1664 NH2 ARG A 108 -9.004 1.031 -7.769 1.00 0.00 N ATOM 0 H ARG A 108 -2.123 2.008 -9.362 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.020 2.689 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.036 0.701 -7.657 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.447 0.608 -6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.184 3.016 -5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.882 2.989 -7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.690 0.722 -5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.261 2.303 -5.000 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.777 2.170 -7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.707 0.357 -4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.270 -0.136 -5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.798 1.535 -8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.889 0.533 -7.668 1.00 0.00 H new ATOM 1678 N LEU A 109 -0.822 0.391 -6.150 1.00 0.00 N ATOM 1679 CA LEU A 109 0.200 -0.637 -6.050 1.00 0.00 C ATOM 1680 C LEU A 109 -0.471 -2.005 -5.909 1.00 0.00 C ATOM 1681 O LEU A 109 -1.434 -2.153 -5.158 1.00 0.00 O ATOM 1682 CB LEU A 109 1.177 -0.313 -4.919 1.00 0.00 C ATOM 1683 CG LEU A 109 2.504 -1.074 -4.939 1.00 0.00 C ATOM 1684 CD1 LEU A 109 3.235 -0.866 -6.267 1.00 0.00 C ATOM 1685 CD2 LEU A 109 3.374 -0.693 -3.740 1.00 0.00 C ATOM 0 H LEU A 109 -1.189 0.717 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 109 0.800 -0.667 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.393 0.755 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.681 -0.513 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 109 2.288 -2.139 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.175 -1.418 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.613 -1.228 -7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.439 0.195 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.311 -1.249 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.585 0.376 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.847 -0.935 -2.817 1.00 0.00 H new ATOM 1697 N GLY A 110 0.064 -2.970 -6.642 1.00 0.00 N ATOM 1698 CA GLY A 110 -0.471 -4.320 -6.608 1.00 0.00 C ATOM 1699 C GLY A 110 0.614 -5.348 -6.934 1.00 0.00 C ATOM 1700 O GLY A 110 1.617 -5.019 -7.566 1.00 0.00 O ATOM 0 H GLY A 110 0.863 -2.844 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.887 -4.525 -5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.288 -4.409 -7.324 1.00 0.00 H new ATOM 1704 N VAL A 111 0.377 -6.573 -6.489 1.00 0.00 N ATOM 1705 CA VAL A 111 1.321 -7.652 -6.725 1.00 0.00 C ATOM 1706 C VAL A 111 0.637 -8.755 -7.535 1.00 0.00 C ATOM 1707 O VAL A 111 -0.456 -9.199 -7.186 1.00 0.00 O ATOM 1708 CB VAL A 111 1.889 -8.151 -5.395 1.00 0.00 C ATOM 1709 CG1 VAL A 111 2.265 -9.632 -5.481 1.00 0.00 C ATOM 1710 CG2 VAL A 111 3.086 -7.305 -4.957 1.00 0.00 C ATOM 0 H VAL A 111 -0.456 -6.843 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 111 2.168 -7.296 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 111 1.111 -8.046 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.666 -9.962 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.379 -10.219 -5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.018 -9.772 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.470 -7.681 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.868 -7.362 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.774 -6.268 -4.836 1.00 0.00 H new ATOM 1720 N ASP A 112 1.309 -9.165 -8.601 1.00 0.00 N ATOM 1721 CA ASP A 112 0.779 -10.208 -9.463 1.00 0.00 C ATOM 1722 C ASP A 112 1.046 -11.574 -8.828 1.00 0.00 C ATOM 1723 O ASP A 112 1.695 -11.662 -7.787 1.00 0.00 O ATOM 1724 CB ASP A 112 1.456 -10.184 -10.835 1.00 0.00 C ATOM 1725 CG ASP A 112 2.960 -9.906 -10.810 1.00 0.00 C ATOM 1726 OD1 ASP A 112 3.642 -10.546 -9.981 1.00 0.00 O ATOM 1727 OD2 ASP A 112 3.394 -9.059 -11.620 1.00 0.00 O ATOM 0 H ASP A 112 2.215 -8.794 -8.887 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.290 -10.034 -9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 112 1.287 -11.144 -11.323 1.00 0.00 H new ATOM 0 HB3 ASP A 112 0.972 -9.425 -11.449 1.00 0.00 H new ATOM 1732 N LYS A 113 0.532 -12.605 -9.481 1.00 0.00 N ATOM 1733 CA LYS A 113 0.706 -13.963 -8.993 1.00 0.00 C ATOM 1734 C LYS A 113 2.188 -14.336 -9.057 1.00 0.00 C ATOM 1735 O LYS A 113 2.630 -15.259 -8.374 1.00 0.00 O ATOM 1736 CB LYS A 113 -0.205 -14.927 -9.754 1.00 0.00 C ATOM 1737 CG LYS A 113 0.076 -14.875 -11.258 1.00 0.00 C ATOM 1738 CD LYS A 113 -0.585 -16.050 -11.980 1.00 0.00 C ATOM 1739 CE LYS A 113 0.377 -17.234 -12.095 1.00 0.00 C ATOM 1740 NZ LYS A 113 -0.172 -18.418 -11.396 1.00 0.00 N ATOM 0 H LYS A 113 -0.005 -12.528 -10.344 1.00 0.00 H new ATOM 0 HA LYS A 113 0.403 -14.035 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.054 -15.942 -9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.248 -14.672 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.295 -13.936 -11.669 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.152 -14.896 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.481 -16.356 -11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -0.904 -15.738 -12.975 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.547 -17.471 -13.145 1.00 0.00 H new ATOM 0 HE3 LYS A 113 1.344 -16.968 -11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.493 -19.212 -11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.312 -18.193 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.083 -18.681 -11.822 1.00 0.00 H new ATOM 1754 N TRP A 114 2.916 -13.600 -9.884 1.00 0.00 N ATOM 1755 CA TRP A 114 4.340 -13.843 -10.046 1.00 0.00 C ATOM 1756 C TRP A 114 5.091 -12.880 -9.125 1.00 0.00 C ATOM 1757 O TRP A 114 6.267 -12.594 -9.346 1.00 0.00 O ATOM 1758 CB TRP A 114 4.754 -13.713 -11.513 1.00 0.00 C ATOM 1759 CG TRP A 114 3.855 -14.480 -12.484 1.00 0.00 C ATOM 1760 CD1 TRP A 114 2.795 -14.022 -13.165 1.00 0.00 C ATOM 1761 CD2 TRP A 114 3.981 -15.868 -12.858 1.00 0.00 C ATOM 1762 NE1 TRP A 114 2.231 -15.009 -13.946 1.00 0.00 N ATOM 1763 CE2 TRP A 114 2.975 -16.168 -13.754 1.00 0.00 C ATOM 1764 CE3 TRP A 114 4.914 -16.839 -12.453 1.00 0.00 C ATOM 1765 CZ2 TRP A 114 2.805 -17.437 -14.321 1.00 0.00 C ATOM 1766 CZ3 TRP A 114 4.731 -18.102 -13.028 1.00 0.00 C ATOM 1767 CH2 TRP A 114 3.723 -18.420 -13.932 1.00 0.00 C ATOM 0 H TRP A 114 2.547 -12.835 -10.449 1.00 0.00 H new ATOM 0 HA TRP A 114 4.593 -14.865 -9.762 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.752 -12.658 -11.788 1.00 0.00 H new ATOM 0 HB3 TRP A 114 5.778 -14.069 -11.624 1.00 0.00 H new ATOM 0 HD1 TRP A 114 2.429 -13.008 -13.109 1.00 0.00 H new ATOM 0 HE1 TRP A 114 1.418 -14.907 -14.553 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.709 -16.627 -11.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 2.009 -17.646 -15.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.421 -18.885 -12.750 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.649 -19.420 -14.332 1.00 0.00 H new ATOM 1778 N GLY A 115 4.382 -12.406 -8.111 1.00 0.00 N ATOM 1779 CA GLY A 115 4.967 -11.481 -7.156 1.00 0.00 C ATOM 1780 C GLY A 115 4.601 -11.870 -5.722 1.00 0.00 C ATOM 1781 O GLY A 115 3.535 -12.433 -5.480 1.00 0.00 O ATOM 0 H GLY A 115 3.407 -12.646 -7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.051 -11.473 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.617 -10.470 -7.363 1.00 0.00 H new ATOM 1785 N ARG A 116 5.506 -11.553 -4.807 1.00 0.00 N ATOM 1786 CA ARG A 116 5.292 -11.862 -3.404 1.00 0.00 C ATOM 1787 C ARG A 116 5.939 -10.793 -2.520 1.00 0.00 C ATOM 1788 O ARG A 116 6.882 -10.123 -2.940 1.00 0.00 O ATOM 1789 CB ARG A 116 5.873 -13.231 -3.046 1.00 0.00 C ATOM 1790 CG ARG A 116 7.334 -13.339 -3.488 1.00 0.00 C ATOM 1791 CD ARG A 116 8.082 -14.385 -2.660 1.00 0.00 C ATOM 1792 NE ARG A 116 8.472 -15.526 -3.519 1.00 0.00 N ATOM 1793 CZ ARG A 116 9.398 -16.435 -3.185 1.00 0.00 C ATOM 1794 NH1 ARG A 116 10.035 -16.342 -2.009 1.00 0.00 N ATOM 1795 NH2 ARG A 116 9.688 -17.436 -4.027 1.00 0.00 N ATOM 0 H ARG A 116 6.389 -11.085 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 116 4.216 -11.880 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 116 5.802 -13.390 -1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 116 5.286 -14.015 -3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 116 7.379 -13.606 -4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 116 7.822 -12.370 -3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 116 8.969 -13.938 -2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 116 7.451 -14.733 -1.843 1.00 0.00 H new ATOM 0 HE ARG A 116 8.007 -15.626 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 116 9.815 -15.579 -1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 116 10.740 -17.034 -1.755 1.00 0.00 H new ATOM 0 HH21 ARG A 116 9.204 -17.506 -4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 116 10.393 -18.128 -3.773 1.00 0.00 H new ATOM 1809 N ILE A 117 5.408 -10.668 -1.313 1.00 0.00 N ATOM 1810 CA ILE A 117 5.923 -9.693 -0.367 1.00 0.00 C ATOM 1811 C ILE A 117 7.223 -10.218 0.245 1.00 0.00 C ATOM 1812 O ILE A 117 7.453 -11.426 0.279 1.00 0.00 O ATOM 1813 CB ILE A 117 4.855 -9.337 0.670 1.00 0.00 C ATOM 1814 CG1 ILE A 117 3.626 -8.718 0.001 1.00 0.00 C ATOM 1815 CG2 ILE A 117 5.430 -8.431 1.761 1.00 0.00 C ATOM 1816 CD1 ILE A 117 2.687 -8.104 1.040 1.00 0.00 C ATOM 0 H ILE A 117 4.626 -11.226 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 117 6.165 -8.760 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 117 4.529 -10.258 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.941 -7.952 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.095 -9.481 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.650 -8.193 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.249 -8.944 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.801 -7.510 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.822 -7.671 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 117 2.355 -8.877 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.214 -7.325 1.591 1.00 0.00 H new ATOM 1828 N GLU A 118 8.038 -9.286 0.714 1.00 0.00 N ATOM 1829 CA GLU A 118 9.309 -9.640 1.323 1.00 0.00 C ATOM 1830 C GLU A 118 9.204 -9.573 2.848 1.00 0.00 C ATOM 1831 O GLU A 118 9.527 -10.538 3.539 1.00 0.00 O ATOM 1832 CB GLU A 118 10.433 -8.738 0.811 1.00 0.00 C ATOM 1833 CG GLU A 118 11.805 -9.319 1.160 1.00 0.00 C ATOM 1834 CD GLU A 118 11.872 -10.809 0.820 1.00 0.00 C ATOM 1835 OE1 GLU A 118 12.203 -11.110 -0.347 1.00 0.00 O ATOM 1836 OE2 GLU A 118 11.591 -11.613 1.734 1.00 0.00 O ATOM 0 H GLU A 118 7.843 -8.285 0.685 1.00 0.00 H new ATOM 0 HA GLU A 118 9.552 -10.664 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.347 -8.622 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.334 -7.744 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 118 12.581 -8.782 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 118 12.005 -9.175 2.222 1.00 0.00 H new ATOM 1843 N ALA A 119 8.751 -8.424 3.328 1.00 0.00 N ATOM 1844 CA ALA A 119 8.599 -8.218 4.758 1.00 0.00 C ATOM 1845 C ALA A 119 9.944 -7.799 5.355 1.00 0.00 C ATOM 1846 O ALA A 119 10.410 -8.394 6.325 1.00 0.00 O ATOM 1847 CB ALA A 119 8.048 -9.492 5.402 1.00 0.00 C ATOM 0 H ALA A 119 8.484 -7.626 2.752 1.00 0.00 H new ATOM 0 HA ALA A 119 7.886 -7.417 4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.934 -9.337 6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.078 -9.731 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.738 -10.317 5.226 1.00 0.00 H new ATOM 1853 N THR A 120 10.532 -6.778 4.748 1.00 0.00 N ATOM 1854 CA THR A 120 11.814 -6.272 5.207 1.00 0.00 C ATOM 1855 C THR A 120 11.888 -6.313 6.735 1.00 0.00 C ATOM 1856 O THR A 120 12.839 -6.851 7.300 1.00 0.00 O ATOM 1857 CB THR A 120 12.004 -4.869 4.627 1.00 0.00 C ATOM 1858 OG1 THR A 120 13.005 -4.283 5.455 1.00 0.00 O ATOM 1859 CG2 THR A 120 10.778 -3.978 4.836 1.00 0.00 C ATOM 0 H THR A 120 10.144 -6.288 3.942 1.00 0.00 H new ATOM 0 HA THR A 120 12.634 -6.898 4.856 1.00 0.00 H new ATOM 0 HB THR A 120 12.221 -4.943 3.561 1.00 0.00 H new ATOM 0 HG1 THR A 120 13.191 -3.371 5.148 1.00 0.00 H new ATOM 0 HG21 THR A 120 10.966 -2.994 4.406 1.00 0.00 H new ATOM 0 HG22 THR A 120 9.914 -4.428 4.348 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.580 -3.876 5.903 1.00 0.00 H new ATOM 1867 N GLY A 121 10.872 -5.737 7.360 1.00 0.00 N ATOM 1868 CA GLY A 121 10.809 -5.701 8.811 1.00 0.00 C ATOM 1869 C GLY A 121 10.339 -4.332 9.306 1.00 0.00 C ATOM 1870 O GLY A 121 9.201 -4.185 9.749 1.00 0.00 O ATOM 0 H GLY A 121 10.085 -5.291 6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 121 10.129 -6.474 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.792 -5.924 9.227 1.00 0.00 H new ATOM 1874 N ALA A 122 11.239 -3.363 9.213 1.00 0.00 N ATOM 1875 CA ALA A 122 10.930 -2.011 9.646 1.00 0.00 C ATOM 1876 C ALA A 122 11.423 -1.018 8.592 1.00 0.00 C ATOM 1877 O ALA A 122 12.231 -1.369 7.733 1.00 0.00 O ATOM 1878 CB ALA A 122 11.553 -1.760 11.020 1.00 0.00 C ATOM 0 H ALA A 122 12.182 -3.488 8.844 1.00 0.00 H new ATOM 0 HA ALA A 122 9.853 -1.877 9.747 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.321 -0.746 11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.148 -2.473 11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 122 12.634 -1.883 10.957 1.00 0.00 H new ATOM 1884 N ALA A 123 10.917 0.202 8.691 1.00 0.00 N ATOM 1885 CA ALA A 123 11.296 1.249 7.757 1.00 0.00 C ATOM 1886 C ALA A 123 12.246 2.227 8.452 1.00 0.00 C ATOM 1887 O ALA A 123 12.219 2.361 9.674 1.00 0.00 O ATOM 1888 CB ALA A 123 10.038 1.937 7.223 1.00 0.00 C ATOM 0 H ALA A 123 10.247 0.489 9.404 1.00 0.00 H new ATOM 0 HA ALA A 123 11.825 0.828 6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.322 2.722 6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.412 1.205 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.483 2.374 8.053 1.00 0.00 H new ATOM 1894 N SER A 124 13.062 2.885 7.642 1.00 0.00 N ATOM 1895 CA SER A 124 14.018 3.846 8.163 1.00 0.00 C ATOM 1896 C SER A 124 13.698 5.244 7.630 1.00 0.00 C ATOM 1897 O SER A 124 14.426 6.198 7.903 1.00 0.00 O ATOM 1898 CB SER A 124 15.451 3.454 7.796 1.00 0.00 C ATOM 1899 OG SER A 124 15.858 4.020 6.553 1.00 0.00 O ATOM 0 H SER A 124 13.081 2.771 6.629 1.00 0.00 H new ATOM 0 HA SER A 124 13.939 3.851 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 124 16.130 3.782 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 124 15.527 2.368 7.742 1.00 0.00 H new ATOM 0 HG SER A 124 16.778 3.748 6.355 1.00 0.00 H new ATOM 1905 N PHE A 125 12.609 5.322 6.879 1.00 0.00 N ATOM 1906 CA PHE A 125 12.184 6.587 6.306 1.00 0.00 C ATOM 1907 C PHE A 125 10.798 6.983 6.818 1.00 0.00 C ATOM 1908 O PHE A 125 10.040 6.135 7.287 1.00 0.00 O ATOM 1909 CB PHE A 125 12.118 6.391 4.790 1.00 0.00 C ATOM 1910 CG PHE A 125 11.331 5.153 4.356 1.00 0.00 C ATOM 1911 CD1 PHE A 125 9.978 5.126 4.490 1.00 0.00 C ATOM 1912 CD2 PHE A 125 11.984 4.079 3.837 1.00 0.00 C ATOM 1913 CE1 PHE A 125 9.247 3.977 4.087 1.00 0.00 C ATOM 1914 CE2 PHE A 125 11.253 2.930 3.434 1.00 0.00 C ATOM 1915 CZ PHE A 125 9.900 2.903 3.568 1.00 0.00 C ATOM 0 H PHE A 125 12.008 4.529 6.654 1.00 0.00 H new ATOM 0 HA PHE A 125 12.883 7.375 6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.664 7.274 4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 125 13.133 6.319 4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.459 5.979 4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 125 13.059 4.100 3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.172 3.956 4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 125 11.772 2.077 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.344 2.029 3.262 1.00 0.00 H new ATOM 1925 N THR A 126 10.508 8.271 6.710 1.00 0.00 N ATOM 1926 CA THR A 126 9.226 8.790 7.156 1.00 0.00 C ATOM 1927 C THR A 126 8.309 9.046 5.959 1.00 0.00 C ATOM 1928 O THR A 126 8.547 9.964 5.175 1.00 0.00 O ATOM 1929 CB THR A 126 9.489 10.039 7.999 1.00 0.00 C ATOM 1930 OG1 THR A 126 10.327 9.576 9.055 1.00 0.00 O ATOM 1931 CG2 THR A 126 8.232 10.539 8.713 1.00 0.00 C ATOM 0 H THR A 126 11.139 8.971 6.320 1.00 0.00 H new ATOM 0 HA THR A 126 8.701 8.066 7.778 1.00 0.00 H new ATOM 0 HB THR A 126 9.883 10.830 7.361 1.00 0.00 H new ATOM 0 HG1 THR A 126 10.548 10.323 9.649 1.00 0.00 H new ATOM 0 HG21 THR A 126 8.474 11.427 9.297 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.469 10.787 7.975 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.856 9.760 9.376 1.00 0.00 H new ATOM 1939 N VAL A 127 7.278 8.220 5.856 1.00 0.00 N ATOM 1940 CA VAL A 127 6.324 8.346 4.768 1.00 0.00 C ATOM 1941 C VAL A 127 5.761 9.769 4.750 1.00 0.00 C ATOM 1942 O VAL A 127 5.547 10.368 5.803 1.00 0.00 O ATOM 1943 CB VAL A 127 5.238 7.275 4.897 1.00 0.00 C ATOM 1944 CG1 VAL A 127 4.083 7.547 3.932 1.00 0.00 C ATOM 1945 CG2 VAL A 127 5.819 5.877 4.678 1.00 0.00 C ATOM 0 H VAL A 127 7.083 7.461 6.509 1.00 0.00 H new ATOM 0 HA VAL A 127 6.815 8.179 3.809 1.00 0.00 H new ATOM 0 HB VAL A 127 4.843 7.318 5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.325 6.772 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.643 8.519 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.456 7.544 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 127 5.027 5.135 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 127 6.254 5.816 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 127 6.591 5.683 5.422 1.00 0.00 H new ATOM 1955 N LYS A 128 5.539 10.268 3.544 1.00 0.00 N ATOM 1956 CA LYS A 128 5.005 11.609 3.375 1.00 0.00 C ATOM 1957 C LYS A 128 3.540 11.520 2.944 1.00 0.00 C ATOM 1958 O LYS A 128 3.240 11.502 1.751 1.00 0.00 O ATOM 1959 CB LYS A 128 5.881 12.417 2.416 1.00 0.00 C ATOM 1960 CG LYS A 128 5.721 13.919 2.661 1.00 0.00 C ATOM 1961 CD LYS A 128 5.212 14.629 1.405 1.00 0.00 C ATOM 1962 CE LYS A 128 6.313 14.729 0.348 1.00 0.00 C ATOM 1963 NZ LYS A 128 7.476 15.474 0.879 1.00 0.00 N ATOM 0 H LYS A 128 5.719 9.768 2.673 1.00 0.00 H new ATOM 0 HA LYS A 128 5.026 12.150 4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.925 12.133 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 128 5.612 12.182 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 128 5.025 14.085 3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.678 14.346 2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.359 14.087 0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 128 4.860 15.628 1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 128 6.623 13.730 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 128 5.928 15.230 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.015 15.884 0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 7.144 16.236 1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 8.087 14.827 1.417 1.00 0.00 H new ATOM 1977 N GLU A 129 2.666 11.467 3.939 1.00 0.00 N ATOM 1978 CA GLU A 129 1.239 11.380 3.677 1.00 0.00 C ATOM 1979 C GLU A 129 0.781 12.571 2.832 1.00 0.00 C ATOM 1980 O GLU A 129 -0.304 12.545 2.253 1.00 0.00 O ATOM 1981 CB GLU A 129 0.446 11.298 4.983 1.00 0.00 C ATOM 1982 CG GLU A 129 -0.041 9.871 5.239 1.00 0.00 C ATOM 1983 CD GLU A 129 -1.480 9.868 5.759 1.00 0.00 C ATOM 1984 OE1 GLU A 129 -2.360 10.322 4.996 1.00 0.00 O ATOM 1985 OE2 GLU A 129 -1.668 9.412 6.908 1.00 0.00 O ATOM 0 H GLU A 129 2.918 11.483 4.927 1.00 0.00 H new ATOM 0 HA GLU A 129 1.048 10.466 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.071 11.627 5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.407 11.975 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 129 0.018 9.292 4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.612 9.384 5.963 1.00 0.00 H new ATOM 1992 N ASP A 130 1.631 13.586 2.787 1.00 0.00 N ATOM 1993 CA ASP A 130 1.328 14.783 2.022 1.00 0.00 C ATOM 1994 C ASP A 130 1.462 14.477 0.529 1.00 0.00 C ATOM 1995 O ASP A 130 0.824 15.124 -0.300 1.00 0.00 O ATOM 1996 CB ASP A 130 2.299 15.915 2.362 1.00 0.00 C ATOM 1997 CG ASP A 130 1.690 17.075 3.152 1.00 0.00 C ATOM 1998 OD1 ASP A 130 0.451 17.222 3.079 1.00 0.00 O ATOM 1999 OD2 ASP A 130 2.477 17.788 3.812 1.00 0.00 O ATOM 0 H ASP A 130 2.530 13.604 3.268 1.00 0.00 H new ATOM 0 HA ASP A 130 0.313 15.093 2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 130 3.129 15.501 2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.716 16.307 1.434 1.00 0.00 H new ATOM 2004 N ASN A 131 2.296 13.491 0.233 1.00 0.00 N ATOM 2005 CA ASN A 131 2.522 13.092 -1.146 1.00 0.00 C ATOM 2006 C ASN A 131 1.796 11.772 -1.416 1.00 0.00 C ATOM 2007 O ASN A 131 2.425 10.772 -1.758 1.00 0.00 O ATOM 2008 CB ASN A 131 4.012 12.876 -1.419 1.00 0.00 C ATOM 2009 CG ASN A 131 4.313 12.964 -2.917 1.00 0.00 C ATOM 2010 OD1 ASN A 131 4.989 11.923 -3.395 1.00 0.00 O flip ATOM 2011 ND2 ASN A 131 3.954 13.913 -3.594 1.00 0.00 N flip ATOM 0 H ASN A 131 2.823 12.957 0.924 1.00 0.00 H new ATOM 0 HA ASN A 131 2.148 13.886 -1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 131 4.596 13.624 -0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 131 4.317 11.901 -1.040 1.00 0.00 H new ATOM 0 HD21 ASN A 131 3.438 14.680 -3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.170 13.939 -4.591 1.00 0.00 H new ATOM 2018 N ASN A 132 0.482 11.812 -1.251 1.00 0.00 N ATOM 2019 CA ASN A 132 -0.337 10.632 -1.473 1.00 0.00 C ATOM 2020 C ASN A 132 -0.697 10.538 -2.957 1.00 0.00 C ATOM 2021 O ASN A 132 -1.249 11.478 -3.526 1.00 0.00 O ATOM 2022 CB ASN A 132 -1.639 10.708 -0.674 1.00 0.00 C ATOM 2023 CG ASN A 132 -2.217 9.311 -0.433 1.00 0.00 C ATOM 2024 OD1 ASN A 132 -2.166 8.436 -1.281 1.00 0.00 O ATOM 2025 ND2 ASN A 132 -2.766 9.153 0.767 1.00 0.00 N ATOM 0 H ASN A 132 -0.036 12.643 -0.966 1.00 0.00 H new ATOM 0 HA ASN A 132 0.233 9.760 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -1.455 11.199 0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -2.365 11.318 -1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -3.179 8.257 1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -2.775 9.928 1.430 1.00 0.00 H new ATOM 2032 N LEU A 133 -0.369 9.395 -3.541 1.00 0.00 N ATOM 2033 CA LEU A 133 -0.651 9.165 -4.947 1.00 0.00 C ATOM 2034 C LEU A 133 -2.071 8.616 -5.095 1.00 0.00 C ATOM 2035 O LEU A 133 -2.609 8.564 -6.201 1.00 0.00 O ATOM 2036 CB LEU A 133 0.422 8.270 -5.570 1.00 0.00 C ATOM 2037 CG LEU A 133 1.848 8.472 -5.051 1.00 0.00 C ATOM 2038 CD1 LEU A 133 2.872 7.876 -6.018 1.00 0.00 C ATOM 2039 CD2 LEU A 133 2.122 9.950 -4.765 1.00 0.00 C ATOM 0 H LEU A 133 0.090 8.618 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.612 10.103 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.140 7.230 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.422 8.433 -6.648 1.00 0.00 H new ATOM 0 HG LEU A 133 1.948 7.937 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.877 8.033 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.689 6.807 -6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.781 8.362 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.142 10.067 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.998 10.527 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.421 10.311 -4.012 1.00 0.00 H new ATOM 2051 N SER A 134 -2.639 8.219 -3.966 1.00 0.00 N ATOM 2052 CA SER A 134 -3.986 7.675 -3.956 1.00 0.00 C ATOM 2053 C SER A 134 -5.009 8.809 -4.056 1.00 0.00 C ATOM 2054 O SER A 134 -6.214 8.566 -4.033 1.00 0.00 O ATOM 2055 CB SER A 134 -4.236 6.845 -2.695 1.00 0.00 C ATOM 2056 OG SER A 134 -4.760 7.634 -1.631 1.00 0.00 O ATOM 0 H SER A 134 -2.190 8.263 -3.051 1.00 0.00 H new ATOM 0 HA SER A 134 -4.095 7.018 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 134 -4.932 6.038 -2.924 1.00 0.00 H new ATOM 0 HB3 SER A 134 -3.303 6.380 -2.376 1.00 0.00 H new ATOM 0 HG SER A 134 -4.907 7.067 -0.845 1.00 0.00 H new