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 132 ASN : amide:sc= -3.11 K(o=-3.1,f=-18!) USER MOD Set 1.2: A 134 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 26 THR OG1 : rot 101:sc= -0.329 USER MOD Set 2.2: A 29 HIS : no HE2:sc= -2.74! C(o=-3.1!,f=-10!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0047 X(o=-0.0047,f=0) 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= -0.299 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 66 CYS SG : rot -168:sc= 0.531 USER MOD Single : A 72 THR OG1 : rot 139:sc= 0.397 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.0844 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.76 K(o=-1.8,f=-10!) USER MOD Single : A 83 GLN : amide:sc= -2.48 K(o=-2.5,f=-5.3!) USER MOD Single : A 87 MET CE :methyl -148:sc= -7.24! (180deg=-10!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 90:sc= -3.26! USER MOD Single : A 97 ASN :FLIP amide:sc= -0.224 F(o=-0.85,f=-0.22) USER MOD Single : A 98 SER OG : rot -67:sc= -0.994 USER MOD Single : A 102 MET CE :methyl 172:sc= -2.37! (180deg=-2.43!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -89:sc= -0.0025 USER MOD Single : A 107 MET CE :methyl -169:sc=-0.00654 (180deg=-0.307) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.593 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN :FLIP amide:sc= -0.31 F(o=-1.3,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 205 N PHE A 16 16.205 -0.204 -6.232 1.00 0.00 N ATOM 206 CA PHE A 16 14.760 -0.212 -6.076 1.00 0.00 C ATOM 207 C PHE A 16 14.153 1.116 -6.534 1.00 0.00 C ATOM 208 O PHE A 16 14.877 2.062 -6.837 1.00 0.00 O ATOM 209 CB PHE A 16 14.472 -0.403 -4.586 1.00 0.00 C ATOM 210 CG PHE A 16 14.718 -1.827 -4.083 1.00 0.00 C ATOM 211 CD1 PHE A 16 15.920 -2.426 -4.296 1.00 0.00 C ATOM 212 CD2 PHE A 16 13.734 -2.494 -3.422 1.00 0.00 C ATOM 213 CE1 PHE A 16 16.148 -3.748 -3.829 1.00 0.00 C ATOM 214 CE2 PHE A 16 13.961 -3.816 -2.955 1.00 0.00 C ATOM 215 CZ PHE A 16 15.164 -4.415 -3.169 1.00 0.00 C ATOM 0 HA PHE A 16 14.325 -1.008 -6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 16 15.094 0.286 -4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 16 13.434 -0.133 -4.389 1.00 0.00 H new ATOM 0 HD1 PHE A 16 16.702 -1.896 -4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 16 12.780 -2.018 -3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 16 17.103 -4.223 -3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.179 -4.345 -2.430 1.00 0.00 H new ATOM 0 HZ PHE A 16 15.337 -5.420 -2.815 1.00 0.00 H new ATOM 225 N VAL A 17 12.829 1.143 -6.569 1.00 0.00 N ATOM 226 CA VAL A 17 12.115 2.338 -6.985 1.00 0.00 C ATOM 227 C VAL A 17 11.462 2.988 -5.764 1.00 0.00 C ATOM 228 O VAL A 17 11.734 2.599 -4.629 1.00 0.00 O ATOM 229 CB VAL A 17 11.111 1.993 -8.086 1.00 0.00 C ATOM 230 CG1 VAL A 17 11.715 2.228 -9.472 1.00 0.00 C ATOM 231 CG2 VAL A 17 10.614 0.553 -7.942 1.00 0.00 C ATOM 0 H VAL A 17 12.232 0.356 -6.316 1.00 0.00 H new ATOM 0 HA VAL A 17 12.806 3.066 -7.411 1.00 0.00 H new ATOM 0 HB VAL A 17 10.253 2.657 -7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.981 1.975 -10.237 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.998 3.276 -9.573 1.00 0.00 H new ATOM 0 HG13 VAL A 17 12.598 1.601 -9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.901 0.333 -8.737 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.459 -0.132 -8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.127 0.431 -6.974 1.00 0.00 H new ATOM 241 N LYS A 18 10.613 3.968 -6.037 1.00 0.00 N ATOM 242 CA LYS A 18 9.919 4.676 -4.975 1.00 0.00 C ATOM 243 C LYS A 18 8.438 4.801 -5.334 1.00 0.00 C ATOM 244 O LYS A 18 8.022 4.395 -6.418 1.00 0.00 O ATOM 245 CB LYS A 18 10.599 6.017 -4.691 1.00 0.00 C ATOM 246 CG LYS A 18 12.081 5.823 -4.366 1.00 0.00 C ATOM 247 CD LYS A 18 12.427 6.426 -3.003 1.00 0.00 C ATOM 248 CE LYS A 18 13.938 6.615 -2.855 1.00 0.00 C ATOM 249 NZ LYS A 18 14.567 5.377 -2.342 1.00 0.00 N ATOM 0 H LYS A 18 10.390 4.289 -6.979 1.00 0.00 H new ATOM 0 HA LYS A 18 9.975 4.114 -4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.496 6.672 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.102 6.511 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.321 4.760 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.691 6.290 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.924 7.386 -2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.059 5.776 -2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.374 6.879 -3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.142 7.442 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.592 5.522 -2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.163 5.142 -1.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.388 4.596 -3.005 1.00 0.00 H new ATOM 263 N VAL A 19 7.681 5.365 -4.404 1.00 0.00 N ATOM 264 CA VAL A 19 6.255 5.548 -4.609 1.00 0.00 C ATOM 265 C VAL A 19 6.031 6.654 -5.643 1.00 0.00 C ATOM 266 O VAL A 19 5.224 6.498 -6.558 1.00 0.00 O ATOM 267 CB VAL A 19 5.566 5.831 -3.272 1.00 0.00 C ATOM 268 CG1 VAL A 19 4.067 6.067 -3.467 1.00 0.00 C ATOM 269 CG2 VAL A 19 5.818 4.699 -2.275 1.00 0.00 C ATOM 0 H VAL A 19 8.029 5.701 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 19 5.806 4.637 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 19 5.998 6.743 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.601 6.266 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.916 6.922 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.614 5.181 -3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.317 4.925 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.427 3.765 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.889 4.599 -2.101 1.00 0.00 H new ATOM 279 N GLU A 20 6.759 7.745 -5.462 1.00 0.00 N ATOM 280 CA GLU A 20 6.650 8.876 -6.368 1.00 0.00 C ATOM 281 C GLU A 20 7.230 8.517 -7.737 1.00 0.00 C ATOM 282 O GLU A 20 7.125 9.296 -8.684 1.00 0.00 O ATOM 283 CB GLU A 20 7.340 10.112 -5.787 1.00 0.00 C ATOM 284 CG GLU A 20 8.861 10.001 -5.913 1.00 0.00 C ATOM 285 CD GLU A 20 9.408 11.040 -6.894 1.00 0.00 C ATOM 286 OE1 GLU A 20 9.655 12.177 -6.437 1.00 0.00 O ATOM 287 OE2 GLU A 20 9.566 10.674 -8.079 1.00 0.00 O ATOM 0 H GLU A 20 7.427 7.870 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 20 5.594 9.115 -6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.993 11.005 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.066 10.227 -4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.322 10.141 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.129 9.000 -6.251 1.00 0.00 H new ATOM 294 N GLN A 21 7.830 7.337 -7.800 1.00 0.00 N ATOM 295 CA GLN A 21 8.427 6.866 -9.038 1.00 0.00 C ATOM 296 C GLN A 21 7.478 5.900 -9.751 1.00 0.00 C ATOM 297 O GLN A 21 7.863 5.247 -10.718 1.00 0.00 O ATOM 298 CB GLN A 21 9.783 6.208 -8.777 1.00 0.00 C ATOM 299 CG GLN A 21 10.923 7.056 -9.347 1.00 0.00 C ATOM 300 CD GLN A 21 11.590 6.353 -10.531 1.00 0.00 C ATOM 301 OE1 GLN A 21 11.082 6.333 -11.640 1.00 0.00 O ATOM 302 NE2 GLN A 21 12.753 5.780 -10.235 1.00 0.00 N ATOM 0 H GLN A 21 7.915 6.693 -7.013 1.00 0.00 H new ATOM 0 HA GLN A 21 8.595 7.725 -9.687 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.926 6.074 -7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.803 5.216 -9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.537 8.024 -9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.663 7.247 -8.569 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.121 5.835 -9.285 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.277 5.286 -10.958 1.00 0.00 H new ATOM 311 N LEU A 22 6.255 5.842 -9.244 1.00 0.00 N ATOM 312 CA LEU A 22 5.247 4.967 -9.821 1.00 0.00 C ATOM 313 C LEU A 22 4.531 5.701 -10.957 1.00 0.00 C ATOM 314 O LEU A 22 4.375 6.920 -10.912 1.00 0.00 O ATOM 315 CB LEU A 22 4.305 4.447 -8.734 1.00 0.00 C ATOM 316 CG LEU A 22 4.964 3.689 -7.580 1.00 0.00 C ATOM 317 CD1 LEU A 22 3.925 3.255 -6.544 1.00 0.00 C ATOM 318 CD2 LEU A 22 5.785 2.507 -8.099 1.00 0.00 C ATOM 0 H LEU A 22 5.939 6.386 -8.441 1.00 0.00 H new ATOM 0 HA LEU A 22 5.713 4.083 -10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.758 5.294 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.571 3.790 -9.201 1.00 0.00 H new ATOM 0 HG LEU A 22 5.655 4.366 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.420 2.718 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.423 4.135 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.191 2.602 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.243 1.985 -7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.133 1.821 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.565 2.871 -8.768 1.00 0.00 H new ATOM 330 N LYS A 23 4.115 4.927 -11.948 1.00 0.00 N ATOM 331 CA LYS A 23 3.419 5.487 -13.094 1.00 0.00 C ATOM 332 C LYS A 23 2.784 4.355 -13.903 1.00 0.00 C ATOM 333 O LYS A 23 3.084 3.183 -13.680 1.00 0.00 O ATOM 334 CB LYS A 23 4.361 6.374 -13.911 1.00 0.00 C ATOM 335 CG LYS A 23 4.161 7.851 -13.565 1.00 0.00 C ATOM 336 CD LYS A 23 4.132 8.712 -14.830 1.00 0.00 C ATOM 337 CE LYS A 23 5.534 9.212 -15.184 1.00 0.00 C ATOM 338 NZ LYS A 23 5.570 10.692 -15.190 1.00 0.00 N ATOM 0 H LYS A 23 4.247 3.916 -11.981 1.00 0.00 H new ATOM 0 HA LYS A 23 2.608 6.138 -12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.395 6.088 -13.717 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.181 6.218 -14.975 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.229 7.976 -13.014 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.965 8.187 -12.911 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.728 8.132 -15.660 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.466 9.562 -14.681 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.256 8.828 -14.464 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.826 8.831 -16.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.528 11.015 -15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.895 11.053 -15.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.312 11.049 -14.248 1.00 0.00 H new ATOM 352 N PRO A 24 1.896 4.755 -14.852 1.00 0.00 N ATOM 353 CA PRO A 24 1.216 3.787 -15.696 1.00 0.00 C ATOM 354 C PRO A 24 2.160 3.233 -16.765 1.00 0.00 C ATOM 355 O PRO A 24 3.136 3.884 -17.135 1.00 0.00 O ATOM 356 CB PRO A 24 0.032 4.540 -16.282 1.00 0.00 C ATOM 357 CG PRO A 24 0.353 6.016 -16.116 1.00 0.00 C ATOM 358 CD PRO A 24 1.517 6.134 -15.145 1.00 0.00 C ATOM 0 HA PRO A 24 0.880 2.910 -15.144 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.110 4.287 -17.333 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.891 4.280 -15.764 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.611 6.461 -17.077 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.516 6.555 -15.738 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.346 6.687 -15.586 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.225 6.665 -14.239 1.00 0.00 H new ATOM 366 N GLY A 25 1.836 2.036 -17.231 1.00 0.00 N ATOM 367 CA GLY A 25 2.643 1.386 -18.250 1.00 0.00 C ATOM 368 C GLY A 25 3.893 0.751 -17.637 1.00 0.00 C ATOM 369 O GLY A 25 4.841 0.424 -18.350 1.00 0.00 O ATOM 0 H GLY A 25 1.026 1.499 -16.922 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.052 0.621 -18.754 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.935 2.114 -19.007 1.00 0.00 H new ATOM 373 N THR A 26 3.855 0.596 -16.322 1.00 0.00 N ATOM 374 CA THR A 26 4.973 0.006 -15.605 1.00 0.00 C ATOM 375 C THR A 26 4.542 -1.293 -14.921 1.00 0.00 C ATOM 376 O THR A 26 3.354 -1.515 -14.695 1.00 0.00 O ATOM 377 CB THR A 26 5.516 1.054 -14.631 1.00 0.00 C ATOM 378 OG1 THR A 26 4.467 1.222 -13.681 1.00 0.00 O ATOM 379 CG2 THR A 26 5.658 2.434 -15.275 1.00 0.00 C ATOM 0 H THR A 26 3.067 0.869 -15.734 1.00 0.00 H new ATOM 0 HA THR A 26 5.777 -0.273 -16.286 1.00 0.00 H new ATOM 0 HB THR A 26 6.485 0.729 -14.252 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.680 0.720 -12.867 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.047 3.140 -14.541 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.345 2.373 -16.119 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.683 2.774 -15.625 1.00 0.00 H new ATOM 387 N THR A 27 5.532 -2.117 -14.611 1.00 0.00 N ATOM 388 CA THR A 27 5.271 -3.389 -13.958 1.00 0.00 C ATOM 389 C THR A 27 6.513 -3.866 -13.204 1.00 0.00 C ATOM 390 O THR A 27 7.575 -3.252 -13.297 1.00 0.00 O ATOM 391 CB THR A 27 4.788 -4.376 -15.022 1.00 0.00 C ATOM 392 OG1 THR A 27 5.643 -4.132 -16.136 1.00 0.00 O ATOM 393 CG2 THR A 27 3.390 -4.038 -15.544 1.00 0.00 C ATOM 0 H THR A 27 6.517 -1.929 -14.800 1.00 0.00 H new ATOM 0 HA THR A 27 4.489 -3.294 -13.204 1.00 0.00 H new ATOM 0 HB THR A 27 4.786 -5.384 -14.607 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.400 -4.732 -16.872 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.096 -4.770 -16.297 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.678 -4.060 -14.719 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.399 -3.043 -15.989 1.00 0.00 H new ATOM 401 N GLY A 28 6.340 -4.959 -12.474 1.00 0.00 N ATOM 402 CA GLY A 28 7.434 -5.526 -11.705 1.00 0.00 C ATOM 403 C GLY A 28 8.299 -4.425 -11.088 1.00 0.00 C ATOM 404 O GLY A 28 9.377 -4.120 -11.596 1.00 0.00 O ATOM 0 H GLY A 28 5.458 -5.466 -12.399 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.036 -6.165 -10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.047 -6.157 -12.349 1.00 0.00 H new ATOM 408 N HIS A 29 7.795 -3.859 -10.002 1.00 0.00 N ATOM 409 CA HIS A 29 8.508 -2.799 -9.311 1.00 0.00 C ATOM 410 C HIS A 29 9.114 -3.347 -8.017 1.00 0.00 C ATOM 411 O HIS A 29 8.654 -4.359 -7.492 1.00 0.00 O ATOM 412 CB HIS A 29 7.595 -1.594 -9.073 1.00 0.00 C ATOM 413 CG HIS A 29 7.172 -0.885 -10.338 1.00 0.00 C ATOM 414 ND1 HIS A 29 7.935 0.105 -10.933 1.00 0.00 N ATOM 415 CD2 HIS A 29 6.061 -1.034 -11.114 1.00 0.00 C ATOM 416 CE1 HIS A 29 7.300 0.526 -12.017 1.00 0.00 C ATOM 417 NE2 HIS A 29 6.139 -0.180 -12.127 1.00 0.00 N ATOM 0 H HIS A 29 6.901 -4.115 -9.583 1.00 0.00 H new ATOM 0 HA HIS A 29 9.328 -2.442 -9.934 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.704 -1.926 -8.539 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.109 -0.884 -8.425 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.833 0.451 -10.595 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.254 -1.729 -10.935 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.642 1.294 -12.695 1.00 0.00 H new ATOM 425 N THR A 30 10.138 -2.653 -7.541 1.00 0.00 N ATOM 426 CA THR A 30 10.812 -3.058 -6.319 1.00 0.00 C ATOM 427 C THR A 30 11.151 -1.833 -5.467 1.00 0.00 C ATOM 428 O THR A 30 12.050 -1.066 -5.805 1.00 0.00 O ATOM 429 CB THR A 30 12.039 -3.885 -6.708 1.00 0.00 C ATOM 430 OG1 THR A 30 11.539 -4.825 -7.655 1.00 0.00 O ATOM 431 CG2 THR A 30 12.549 -4.753 -5.556 1.00 0.00 C ATOM 0 H THR A 30 10.517 -1.814 -7.979 1.00 0.00 H new ATOM 0 HA THR A 30 10.167 -3.679 -5.698 1.00 0.00 H new ATOM 0 HB THR A 30 12.835 -3.218 -7.041 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.270 -5.401 -7.961 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.420 -5.319 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.826 -4.116 -4.716 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.764 -5.443 -5.245 1.00 0.00 H new ATOM 439 N LEU A 31 10.411 -1.689 -4.377 1.00 0.00 N ATOM 440 CA LEU A 31 10.622 -0.571 -3.473 1.00 0.00 C ATOM 441 C LEU A 31 10.156 -0.962 -2.068 1.00 0.00 C ATOM 442 O LEU A 31 9.436 -1.944 -1.900 1.00 0.00 O ATOM 443 CB LEU A 31 9.947 0.691 -4.015 1.00 0.00 C ATOM 444 CG LEU A 31 8.418 0.667 -4.062 1.00 0.00 C ATOM 445 CD1 LEU A 31 7.883 1.709 -5.046 1.00 0.00 C ATOM 446 CD2 LEU A 31 7.901 -0.738 -4.377 1.00 0.00 C ATOM 0 H LEU A 31 9.665 -2.327 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 31 11.683 -0.333 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.259 1.537 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.319 0.873 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 31 8.042 0.934 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.794 1.671 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.207 2.702 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.266 1.497 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.811 -0.727 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.285 -1.058 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.238 -1.431 -3.606 1.00 0.00 H new ATOM 458 N THR A 32 10.587 -0.171 -1.096 1.00 0.00 N ATOM 459 CA THR A 32 10.223 -0.422 0.288 1.00 0.00 C ATOM 460 C THR A 32 9.074 0.494 0.713 1.00 0.00 C ATOM 461 O THR A 32 9.234 1.713 0.765 1.00 0.00 O ATOM 462 CB THR A 32 11.480 -0.257 1.145 1.00 0.00 C ATOM 463 OG1 THR A 32 12.434 -1.122 0.534 1.00 0.00 O ATOM 464 CG2 THR A 32 11.308 -0.828 2.554 1.00 0.00 C ATOM 0 H THR A 32 11.184 0.643 -1.240 1.00 0.00 H new ATOM 0 HA THR A 32 9.852 -1.438 0.421 1.00 0.00 H new ATOM 0 HB THR A 32 11.737 0.800 1.211 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.280 -1.075 1.026 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.229 -0.685 3.120 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.489 -0.314 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.083 -1.893 2.490 1.00 0.00 H new ATOM 472 N VAL A 33 7.941 -0.127 1.004 1.00 0.00 N ATOM 473 CA VAL A 33 6.765 0.617 1.422 1.00 0.00 C ATOM 474 C VAL A 33 6.494 0.345 2.903 1.00 0.00 C ATOM 475 O VAL A 33 6.482 -0.807 3.334 1.00 0.00 O ATOM 476 CB VAL A 33 5.577 0.267 0.523 1.00 0.00 C ATOM 477 CG1 VAL A 33 5.912 0.518 -0.949 1.00 0.00 C ATOM 478 CG2 VAL A 33 5.129 -1.178 0.745 1.00 0.00 C ATOM 0 H VAL A 33 7.812 -1.138 0.959 1.00 0.00 H new ATOM 0 HA VAL A 33 6.933 1.689 1.314 1.00 0.00 H new ATOM 0 HB VAL A 33 4.747 0.920 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.051 0.261 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.160 1.570 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.763 -0.098 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.284 -1.401 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.953 -1.854 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.831 -1.311 1.785 1.00 0.00 H new ATOM 488 N LYS A 34 6.284 1.425 3.642 1.00 0.00 N ATOM 489 CA LYS A 34 6.014 1.317 5.065 1.00 0.00 C ATOM 490 C LYS A 34 4.521 1.536 5.315 1.00 0.00 C ATOM 491 O LYS A 34 3.975 2.581 4.962 1.00 0.00 O ATOM 492 CB LYS A 34 6.916 2.268 5.855 1.00 0.00 C ATOM 493 CG LYS A 34 6.543 2.272 7.339 1.00 0.00 C ATOM 494 CD LYS A 34 6.174 3.681 7.808 1.00 0.00 C ATOM 495 CE LYS A 34 6.107 3.751 9.335 1.00 0.00 C ATOM 496 NZ LYS A 34 5.215 4.851 9.765 1.00 0.00 N ATOM 0 H LYS A 34 6.296 2.379 3.281 1.00 0.00 H new ATOM 0 HA LYS A 34 6.254 0.316 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.957 1.968 5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.829 3.277 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.704 1.597 7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.379 1.896 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.910 4.395 7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.212 3.969 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.743 2.804 9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.106 3.905 9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.181 4.884 10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.578 5.755 9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.258 4.688 9.392 1.00 0.00 H new ATOM 510 N VAL A 35 3.902 0.534 5.921 1.00 0.00 N ATOM 511 CA VAL A 35 2.482 0.604 6.222 1.00 0.00 C ATOM 512 C VAL A 35 2.238 1.703 7.259 1.00 0.00 C ATOM 513 O VAL A 35 3.079 1.944 8.123 1.00 0.00 O ATOM 514 CB VAL A 35 1.974 -0.767 6.674 1.00 0.00 C ATOM 515 CG1 VAL A 35 0.459 -0.878 6.492 1.00 0.00 C ATOM 516 CG2 VAL A 35 2.700 -1.891 5.933 1.00 0.00 C ATOM 0 H VAL A 35 4.358 -0.331 6.212 1.00 0.00 H new ATOM 0 HA VAL A 35 1.915 0.868 5.329 1.00 0.00 H new ATOM 0 HB VAL A 35 2.191 -0.872 7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.124 -1.862 6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.036 -0.109 7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.208 -0.742 5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.321 -2.855 6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.528 -1.790 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.769 -1.830 6.137 1.00 0.00 H new ATOM 526 N ILE A 36 1.083 2.341 7.138 1.00 0.00 N ATOM 527 CA ILE A 36 0.718 3.408 8.053 1.00 0.00 C ATOM 528 C ILE A 36 -0.593 3.047 8.755 1.00 0.00 C ATOM 529 O ILE A 36 -0.681 3.103 9.980 1.00 0.00 O ATOM 530 CB ILE A 36 0.674 4.751 7.321 1.00 0.00 C ATOM 531 CG1 ILE A 36 1.687 4.784 6.175 1.00 0.00 C ATOM 532 CG2 ILE A 36 0.872 5.914 8.295 1.00 0.00 C ATOM 533 CD1 ILE A 36 3.118 4.869 6.710 1.00 0.00 C ATOM 0 H ILE A 36 0.388 2.139 6.420 1.00 0.00 H new ATOM 0 HA ILE A 36 1.475 3.519 8.829 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.316 4.867 6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.577 3.890 5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.485 5.639 5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.836 6.856 7.748 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.081 5.899 9.045 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.840 5.816 8.787 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.818 4.891 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.232 5.777 7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.325 4.000 7.334 1.00 0.00 H new ATOM 545 N GLU A 37 -1.579 2.685 7.947 1.00 0.00 N ATOM 546 CA GLU A 37 -2.881 2.314 8.475 1.00 0.00 C ATOM 547 C GLU A 37 -3.441 1.113 7.711 1.00 0.00 C ATOM 548 O GLU A 37 -3.029 0.843 6.584 1.00 0.00 O ATOM 549 CB GLU A 37 -3.850 3.497 8.423 1.00 0.00 C ATOM 550 CG GLU A 37 -3.192 4.769 8.963 1.00 0.00 C ATOM 551 CD GLU A 37 -4.241 5.734 9.520 1.00 0.00 C ATOM 552 OE1 GLU A 37 -5.024 6.257 8.698 1.00 0.00 O ATOM 553 OE2 GLU A 37 -4.234 5.927 10.755 1.00 0.00 O ATOM 0 H GLU A 37 -1.502 2.641 6.931 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.760 2.030 9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.176 3.660 7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.741 3.268 9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.479 4.510 9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.629 5.257 8.168 1.00 0.00 H new ATOM 560 N ALA A 38 -4.371 0.424 8.355 1.00 0.00 N ATOM 561 CA ALA A 38 -4.992 -0.743 7.751 1.00 0.00 C ATOM 562 C ALA A 38 -6.455 -0.821 8.190 1.00 0.00 C ATOM 563 O ALA A 38 -6.744 -1.104 9.352 1.00 0.00 O ATOM 564 CB ALA A 38 -4.201 -1.996 8.130 1.00 0.00 C ATOM 0 H ALA A 38 -4.710 0.651 9.290 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.978 -0.666 6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.667 -2.871 7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.177 -1.903 7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.195 -2.108 9.214 1.00 0.00 H new ATOM 570 N ASN A 39 -7.340 -0.566 7.237 1.00 0.00 N ATOM 571 CA ASN A 39 -8.767 -0.605 7.511 1.00 0.00 C ATOM 572 C ASN A 39 -9.488 -1.277 6.342 1.00 0.00 C ATOM 573 O ASN A 39 -9.066 -1.152 5.193 1.00 0.00 O ATOM 574 CB ASN A 39 -9.335 0.807 7.669 1.00 0.00 C ATOM 575 CG ASN A 39 -8.507 1.624 8.663 1.00 0.00 C ATOM 576 OD1 ASN A 39 -8.662 1.526 9.869 1.00 0.00 O ATOM 577 ND2 ASN A 39 -7.620 2.433 8.091 1.00 0.00 N ATOM 0 H ASN A 39 -7.097 -0.332 6.275 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.918 -1.161 8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.346 1.308 6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.368 0.751 8.011 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.018 3.020 8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.542 2.467 7.075 1.00 0.00 H new ATOM 584 N ILE A 40 -10.564 -1.975 6.674 1.00 0.00 N ATOM 585 CA ILE A 40 -11.348 -2.668 5.666 1.00 0.00 C ATOM 586 C ILE A 40 -11.704 -1.691 4.544 1.00 0.00 C ATOM 587 O ILE A 40 -11.733 -0.479 4.756 1.00 0.00 O ATOM 588 CB ILE A 40 -12.564 -3.343 6.303 1.00 0.00 C ATOM 589 CG1 ILE A 40 -13.474 -2.312 6.975 1.00 0.00 C ATOM 590 CG2 ILE A 40 -12.134 -4.446 7.272 1.00 0.00 C ATOM 591 CD1 ILE A 40 -14.776 -2.958 7.452 1.00 0.00 C ATOM 0 H ILE A 40 -10.912 -2.076 7.628 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.766 -3.472 5.217 1.00 0.00 H new ATOM 0 HB ILE A 40 -13.144 -3.818 5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -12.956 -1.862 7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -13.698 -1.508 6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.018 -4.910 7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.559 -5.199 6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.519 -4.016 8.063 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.404 -2.204 7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -15.303 -3.386 6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -14.549 -3.745 8.171 1.00 0.00 H new ATOM 954 N ILE A 63 -10.419 -8.667 2.314 1.00 0.00 N ATOM 955 CA ILE A 63 -9.527 -7.691 1.712 1.00 0.00 C ATOM 956 C ILE A 63 -9.568 -6.397 2.527 1.00 0.00 C ATOM 957 O ILE A 63 -10.645 -5.900 2.855 1.00 0.00 O ATOM 958 CB ILE A 63 -9.866 -7.496 0.232 1.00 0.00 C ATOM 959 CG1 ILE A 63 -9.297 -8.636 -0.615 1.00 0.00 C ATOM 960 CG2 ILE A 63 -9.397 -6.126 -0.261 1.00 0.00 C ATOM 961 CD1 ILE A 63 -7.876 -8.314 -1.084 1.00 0.00 C ATOM 0 HA ILE A 63 -8.498 -8.051 1.736 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.950 -7.524 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.292 -9.558 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.939 -8.807 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.650 -6.013 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.889 -5.343 0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.317 -6.044 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.495 -9.140 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.888 -7.405 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.231 -8.167 -0.217 1.00 0.00 H new ATOM 973 N VAL A 64 -8.383 -5.889 2.832 1.00 0.00 N ATOM 974 CA VAL A 64 -8.271 -4.663 3.604 1.00 0.00 C ATOM 975 C VAL A 64 -7.258 -3.734 2.931 1.00 0.00 C ATOM 976 O VAL A 64 -6.217 -4.185 2.455 1.00 0.00 O ATOM 977 CB VAL A 64 -7.911 -4.989 5.055 1.00 0.00 C ATOM 978 CG1 VAL A 64 -7.673 -3.710 5.861 1.00 0.00 C ATOM 979 CG2 VAL A 64 -8.992 -5.854 5.706 1.00 0.00 C ATOM 0 H VAL A 64 -7.492 -6.304 2.559 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.226 -4.139 3.630 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.982 -5.560 5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.419 -3.970 6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.853 -3.147 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.577 -3.102 5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.712 -6.072 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.942 -5.320 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.093 -6.788 5.153 1.00 0.00 H new ATOM 989 N GLU A 65 -7.598 -2.454 2.914 1.00 0.00 N ATOM 990 CA GLU A 65 -6.732 -1.457 2.307 1.00 0.00 C ATOM 991 C GLU A 65 -5.802 -0.851 3.360 1.00 0.00 C ATOM 992 O GLU A 65 -6.264 -0.290 4.353 1.00 0.00 O ATOM 993 CB GLU A 65 -7.551 -0.370 1.609 1.00 0.00 C ATOM 994 CG GLU A 65 -7.965 -0.814 0.204 1.00 0.00 C ATOM 995 CD GLU A 65 -9.182 -0.024 -0.284 1.00 0.00 C ATOM 996 OE1 GLU A 65 -9.935 0.456 0.591 1.00 0.00 O ATOM 997 OE2 GLU A 65 -9.331 0.081 -1.520 1.00 0.00 O ATOM 0 H GLU A 65 -8.462 -2.084 3.311 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.121 -1.948 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.439 -0.143 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.966 0.548 1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.134 -0.671 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.196 -1.879 0.209 1.00 0.00 H new ATOM 1004 N CYS A 66 -4.508 -0.984 3.108 1.00 0.00 N ATOM 1005 CA CYS A 66 -3.509 -0.457 4.022 1.00 0.00 C ATOM 1006 C CYS A 66 -2.713 0.626 3.291 1.00 0.00 C ATOM 1007 O CYS A 66 -2.435 0.499 2.099 1.00 0.00 O ATOM 1008 CB CYS A 66 -2.602 -1.562 4.568 1.00 0.00 C ATOM 1009 SG CYS A 66 -3.581 -3.075 4.886 1.00 0.00 S ATOM 0 H CYS A 66 -4.128 -1.449 2.284 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.002 -0.020 4.891 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.807 -1.777 3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.123 -1.229 5.489 1.00 0.00 H new ATOM 0 HG CYS A 66 -2.867 -3.918 5.572 1.00 0.00 H new ATOM 1015 N LEU A 67 -2.368 1.666 4.035 1.00 0.00 N ATOM 1016 CA LEU A 67 -1.609 2.770 3.472 1.00 0.00 C ATOM 1017 C LEU A 67 -0.114 2.469 3.591 1.00 0.00 C ATOM 1018 O LEU A 67 0.394 2.256 4.691 1.00 0.00 O ATOM 1019 CB LEU A 67 -2.024 4.092 4.122 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.609 5.364 3.379 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -2.055 5.315 1.917 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -2.129 6.611 4.096 1.00 0.00 C ATOM 0 H LEU A 67 -2.600 1.768 5.023 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.828 2.881 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.109 4.096 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.603 4.128 5.127 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.521 5.422 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.748 6.231 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.596 4.458 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.140 5.222 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.820 7.501 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.217 6.575 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.720 6.647 5.106 1.00 0.00 H new ATOM 1034 N ILE A 68 0.549 2.460 2.444 1.00 0.00 N ATOM 1035 CA ILE A 68 1.976 2.188 2.406 1.00 0.00 C ATOM 1036 C ILE A 68 2.655 3.184 1.464 1.00 0.00 C ATOM 1037 O ILE A 68 2.027 3.697 0.539 1.00 0.00 O ATOM 1038 CB ILE A 68 2.233 0.724 2.044 1.00 0.00 C ATOM 1039 CG1 ILE A 68 2.106 0.503 0.535 1.00 0.00 C ATOM 1040 CG2 ILE A 68 1.315 -0.207 2.839 1.00 0.00 C ATOM 1041 CD1 ILE A 68 0.751 0.993 0.021 1.00 0.00 C ATOM 0 H ILE A 68 0.124 2.637 1.534 1.00 0.00 H new ATOM 0 HA ILE A 68 2.418 2.330 3.392 1.00 0.00 H new ATOM 0 HB ILE A 68 3.258 0.478 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.907 1.031 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.224 -0.557 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.518 -1.242 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.497 -0.074 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.275 0.030 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.687 0.824 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.048 0.446 0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.647 2.058 0.228 1.00 0.00 H new ATOM 1053 N GLY A 69 3.930 3.427 1.731 1.00 0.00 N ATOM 1054 CA GLY A 69 4.702 4.352 0.919 1.00 0.00 C ATOM 1055 C GLY A 69 6.088 4.587 1.522 1.00 0.00 C ATOM 1056 O GLY A 69 6.521 3.842 2.400 1.00 0.00 O ATOM 0 H GLY A 69 4.448 2.999 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.804 3.957 -0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.171 5.301 0.838 1.00 0.00 H new ATOM 1060 N ASP A 70 6.745 5.626 1.028 1.00 0.00 N ATOM 1061 CA ASP A 70 8.073 5.969 1.508 1.00 0.00 C ATOM 1062 C ASP A 70 8.171 7.485 1.685 1.00 0.00 C ATOM 1063 O ASP A 70 7.207 8.207 1.434 1.00 0.00 O ATOM 1064 CB ASP A 70 9.148 5.539 0.507 1.00 0.00 C ATOM 1065 CG ASP A 70 10.504 5.191 1.124 1.00 0.00 C ATOM 1066 OD1 ASP A 70 11.324 6.124 1.256 1.00 0.00 O ATOM 1067 OD2 ASP A 70 10.689 3.998 1.450 1.00 0.00 O ATOM 0 H ASP A 70 6.382 6.242 0.300 1.00 0.00 H new ATOM 0 HA ASP A 70 8.234 5.452 2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.784 4.672 -0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.290 6.341 -0.217 1.00 0.00 H new ATOM 1072 N GLU A 71 9.345 7.924 2.116 1.00 0.00 N ATOM 1073 CA GLU A 71 9.581 9.342 2.330 1.00 0.00 C ATOM 1074 C GLU A 71 8.994 10.157 1.176 1.00 0.00 C ATOM 1075 O GLU A 71 8.626 11.317 1.356 1.00 0.00 O ATOM 1076 CB GLU A 71 11.074 9.629 2.500 1.00 0.00 C ATOM 1077 CG GLU A 71 11.785 9.658 1.145 1.00 0.00 C ATOM 1078 CD GLU A 71 13.255 10.050 1.306 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.865 9.575 2.288 1.00 0.00 O ATOM 1080 OE2 GLU A 71 13.736 10.815 0.442 1.00 0.00 O ATOM 0 H GLU A 71 10.143 7.323 2.323 1.00 0.00 H new ATOM 0 HA GLU A 71 9.080 9.640 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.209 10.585 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.525 8.866 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.716 8.678 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.286 10.366 0.484 1.00 0.00 H new ATOM 1087 N THR A 72 8.924 9.519 0.017 1.00 0.00 N ATOM 1088 CA THR A 72 8.387 10.171 -1.165 1.00 0.00 C ATOM 1089 C THR A 72 6.876 10.363 -1.029 1.00 0.00 C ATOM 1090 O THR A 72 6.407 11.472 -0.777 1.00 0.00 O ATOM 1091 CB THR A 72 8.787 9.340 -2.386 1.00 0.00 C ATOM 1092 OG1 THR A 72 8.410 8.010 -2.039 1.00 0.00 O ATOM 1093 CG2 THR A 72 10.304 9.261 -2.570 1.00 0.00 C ATOM 0 H THR A 72 9.230 8.557 -0.129 1.00 0.00 H new ATOM 0 HA THR A 72 8.800 11.173 -1.286 1.00 0.00 H new ATOM 0 HB THR A 72 8.335 9.769 -3.280 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.008 7.570 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.533 8.660 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.707 10.265 -2.701 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.754 8.801 -1.690 1.00 0.00 H new ATOM 1101 N GLY A 73 6.154 9.265 -1.202 1.00 0.00 N ATOM 1102 CA GLY A 73 4.705 9.298 -1.101 1.00 0.00 C ATOM 1103 C GLY A 73 4.145 7.909 -0.788 1.00 0.00 C ATOM 1104 O GLY A 73 4.902 6.977 -0.519 1.00 0.00 O ATOM 0 H GLY A 73 6.546 8.347 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.407 9.998 -0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.280 9.663 -2.036 1.00 0.00 H new ATOM 1108 N CYS A 74 2.824 7.815 -0.833 1.00 0.00 N ATOM 1109 CA CYS A 74 2.154 6.555 -0.557 1.00 0.00 C ATOM 1110 C CYS A 74 1.058 6.355 -1.605 1.00 0.00 C ATOM 1111 O CYS A 74 0.774 7.257 -2.392 1.00 0.00 O ATOM 1112 CB CYS A 74 1.598 6.511 0.867 1.00 0.00 C ATOM 1113 SG CYS A 74 0.534 7.969 1.169 1.00 0.00 S ATOM 0 H CYS A 74 2.200 8.590 -1.056 1.00 0.00 H new ATOM 0 HA CYS A 74 2.871 5.736 -0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.025 5.596 1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.417 6.493 1.586 1.00 0.00 H new ATOM 0 HG CYS A 74 0.065 7.921 2.381 1.00 0.00 H new ATOM 1119 N ILE A 75 0.470 5.167 -1.581 1.00 0.00 N ATOM 1120 CA ILE A 75 -0.589 4.837 -2.519 1.00 0.00 C ATOM 1121 C ILE A 75 -1.548 3.838 -1.869 1.00 0.00 C ATOM 1122 O ILE A 75 -1.210 3.212 -0.865 1.00 0.00 O ATOM 1123 CB ILE A 75 0.001 4.350 -3.844 1.00 0.00 C ATOM 1124 CG1 ILE A 75 0.060 2.822 -3.889 1.00 0.00 C ATOM 1125 CG2 ILE A 75 1.370 4.984 -4.101 1.00 0.00 C ATOM 1126 CD1 ILE A 75 1.123 2.285 -2.928 1.00 0.00 C ATOM 0 H ILE A 75 0.707 4.422 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.171 5.725 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.659 4.671 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.914 2.409 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.283 2.493 -4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.767 4.621 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.267 6.068 -4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.053 4.715 -3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.144 1.196 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.099 2.680 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.884 2.595 -1.911 1.00 0.00 H new ATOM 1138 N LEU A 76 -2.724 3.721 -2.466 1.00 0.00 N ATOM 1139 CA LEU A 76 -3.734 2.808 -1.957 1.00 0.00 C ATOM 1140 C LEU A 76 -3.488 1.411 -2.530 1.00 0.00 C ATOM 1141 O LEU A 76 -3.843 1.135 -3.675 1.00 0.00 O ATOM 1142 CB LEU A 76 -5.137 3.351 -2.239 1.00 0.00 C ATOM 1143 CG LEU A 76 -6.158 3.188 -1.111 1.00 0.00 C ATOM 1144 CD1 LEU A 76 -5.961 1.858 -0.381 1.00 0.00 C ATOM 1145 CD2 LEU A 76 -6.111 4.380 -0.153 1.00 0.00 C ATOM 0 H LEU A 76 -3.001 4.243 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.661 2.725 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.054 4.412 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.525 2.855 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.154 3.168 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.699 1.767 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.084 1.035 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.959 1.823 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.846 4.239 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.116 4.456 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.338 5.295 -0.700 1.00 0.00 H new ATOM 1157 N PHE A 77 -2.883 0.567 -1.708 1.00 0.00 N ATOM 1158 CA PHE A 77 -2.586 -0.795 -2.118 1.00 0.00 C ATOM 1159 C PHE A 77 -3.545 -1.788 -1.460 1.00 0.00 C ATOM 1160 O PHE A 77 -4.012 -1.559 -0.345 1.00 0.00 O ATOM 1161 CB PHE A 77 -1.159 -1.099 -1.658 1.00 0.00 C ATOM 1162 CG PHE A 77 -0.793 -2.584 -1.706 1.00 0.00 C ATOM 1163 CD1 PHE A 77 -1.317 -3.444 -0.792 1.00 0.00 C ATOM 1164 CD2 PHE A 77 0.056 -3.044 -2.664 1.00 0.00 C ATOM 1165 CE1 PHE A 77 -0.978 -4.822 -0.838 1.00 0.00 C ATOM 1166 CE2 PHE A 77 0.395 -4.422 -2.710 1.00 0.00 C ATOM 1167 CZ PHE A 77 -0.128 -5.282 -1.796 1.00 0.00 C ATOM 0 H PHE A 77 -2.590 0.800 -0.759 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.694 -0.890 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.460 -0.543 -2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.032 -0.737 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.991 -3.079 -0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.472 -2.361 -3.390 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.395 -5.505 -0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.068 -4.787 -3.471 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.131 -6.330 -1.830 1.00 0.00 H new ATOM 1177 N THR A 78 -3.810 -2.870 -2.177 1.00 0.00 N ATOM 1178 CA THR A 78 -4.705 -3.899 -1.675 1.00 0.00 C ATOM 1179 C THR A 78 -3.916 -5.152 -1.290 1.00 0.00 C ATOM 1180 O THR A 78 -3.067 -5.613 -2.052 1.00 0.00 O ATOM 1181 CB THR A 78 -5.773 -4.157 -2.741 1.00 0.00 C ATOM 1182 OG1 THR A 78 -6.598 -2.996 -2.695 1.00 0.00 O ATOM 1183 CG2 THR A 78 -6.716 -5.300 -2.360 1.00 0.00 C ATOM 0 H THR A 78 -3.421 -3.057 -3.101 1.00 0.00 H new ATOM 0 HA THR A 78 -5.206 -3.576 -0.762 1.00 0.00 H new ATOM 0 HB THR A 78 -5.290 -4.386 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.316 -3.079 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.454 -5.441 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.142 -6.218 -2.231 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.225 -5.056 -1.427 1.00 0.00 H new ATOM 1191 N ALA A 79 -4.223 -5.666 -0.109 1.00 0.00 N ATOM 1192 CA ALA A 79 -3.553 -6.856 0.386 1.00 0.00 C ATOM 1193 C ALA A 79 -4.589 -7.953 0.637 1.00 0.00 C ATOM 1194 O ALA A 79 -5.653 -7.691 1.196 1.00 0.00 O ATOM 1195 CB ALA A 79 -2.757 -6.507 1.646 1.00 0.00 C ATOM 0 H ALA A 79 -4.927 -5.280 0.520 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.846 -7.233 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.254 -7.400 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.015 -5.745 1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.434 -6.127 2.411 1.00 0.00 H new ATOM 1201 N ARG A 80 -4.243 -9.159 0.210 1.00 0.00 N ATOM 1202 CA ARG A 80 -5.130 -10.297 0.380 1.00 0.00 C ATOM 1203 C ARG A 80 -5.096 -10.784 1.831 1.00 0.00 C ATOM 1204 O ARG A 80 -4.263 -10.339 2.619 1.00 0.00 O ATOM 1205 CB ARG A 80 -4.734 -11.448 -0.546 1.00 0.00 C ATOM 1206 CG ARG A 80 -5.038 -11.106 -2.006 1.00 0.00 C ATOM 1207 CD ARG A 80 -3.749 -10.828 -2.784 1.00 0.00 C ATOM 1208 NE ARG A 80 -3.257 -12.075 -3.409 1.00 0.00 N ATOM 1209 CZ ARG A 80 -2.238 -12.128 -4.278 1.00 0.00 C ATOM 1210 NH1 ARG A 80 -1.597 -11.005 -4.629 1.00 0.00 N ATOM 1211 NH2 ARG A 80 -1.859 -13.305 -4.795 1.00 0.00 N ATOM 0 H ARG A 80 -3.360 -9.373 -0.254 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.139 -9.972 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.671 -11.662 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.273 -12.351 -0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -5.577 -11.931 -2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -5.690 -10.233 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.932 -10.075 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.990 -10.423 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.722 -12.949 -3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.884 -10.109 -4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.822 -11.046 -5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.346 -14.160 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.084 -13.346 -5.456 1.00 0.00 H new ATOM 1225 N ASN A 81 -6.011 -11.691 2.138 1.00 0.00 N ATOM 1226 CA ASN A 81 -6.096 -12.243 3.480 1.00 0.00 C ATOM 1227 C ASN A 81 -4.699 -12.665 3.942 1.00 0.00 C ATOM 1228 O ASN A 81 -4.437 -12.747 5.141 1.00 0.00 O ATOM 1229 CB ASN A 81 -6.997 -13.479 3.510 1.00 0.00 C ATOM 1230 CG ASN A 81 -6.563 -14.501 2.457 1.00 0.00 C ATOM 1231 OD1 ASN A 81 -5.578 -14.330 1.758 1.00 0.00 O ATOM 1232 ND2 ASN A 81 -7.351 -15.570 2.383 1.00 0.00 N ATOM 0 H ASN A 81 -6.700 -12.058 1.481 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.512 -11.477 4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.962 -13.934 4.500 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.031 -13.184 3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.146 -16.309 1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.161 -15.650 2.998 1.00 0.00 H new ATOM 1239 N ASP A 82 -3.840 -12.921 2.967 1.00 0.00 N ATOM 1240 CA ASP A 82 -2.477 -13.331 3.260 1.00 0.00 C ATOM 1241 C ASP A 82 -1.600 -12.089 3.431 1.00 0.00 C ATOM 1242 O ASP A 82 -1.027 -11.872 4.497 1.00 0.00 O ATOM 1243 CB ASP A 82 -1.896 -14.166 2.117 1.00 0.00 C ATOM 1244 CG ASP A 82 -1.826 -15.671 2.385 1.00 0.00 C ATOM 1245 OD1 ASP A 82 -2.703 -16.155 3.133 1.00 0.00 O ATOM 1246 OD2 ASP A 82 -0.897 -16.302 1.838 1.00 0.00 O ATOM 0 H ASP A 82 -4.061 -12.853 1.974 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.493 -13.928 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.497 -13.999 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.891 -13.804 1.897 1.00 0.00 H new ATOM 1251 N GLN A 83 -1.523 -11.307 2.364 1.00 0.00 N ATOM 1252 CA GLN A 83 -0.725 -10.093 2.383 1.00 0.00 C ATOM 1253 C GLN A 83 -1.145 -9.200 3.553 1.00 0.00 C ATOM 1254 O GLN A 83 -0.297 -8.666 4.266 1.00 0.00 O ATOM 1255 CB GLN A 83 -0.837 -9.343 1.054 1.00 0.00 C ATOM 1256 CG GLN A 83 -0.442 -10.243 -0.118 1.00 0.00 C ATOM 1257 CD GLN A 83 0.725 -9.640 -0.904 1.00 0.00 C ATOM 1258 OE1 GLN A 83 1.858 -10.085 -0.822 1.00 0.00 O ATOM 1259 NE2 GLN A 83 0.386 -8.605 -1.667 1.00 0.00 N ATOM 0 H GLN A 83 -2.000 -11.490 1.481 1.00 0.00 H new ATOM 0 HA GLN A 83 0.320 -10.370 2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.859 -8.989 0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.195 -8.463 1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.164 -11.229 0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.297 -10.381 -0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.582 -8.283 -1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.094 -8.133 -2.230 1.00 0.00 H new ATOM 1268 N VAL A 84 -2.453 -9.067 3.714 1.00 0.00 N ATOM 1269 CA VAL A 84 -2.996 -8.249 4.785 1.00 0.00 C ATOM 1270 C VAL A 84 -2.132 -8.417 6.037 1.00 0.00 C ATOM 1271 O VAL A 84 -1.809 -7.438 6.709 1.00 0.00 O ATOM 1272 CB VAL A 84 -4.465 -8.602 5.021 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -4.595 -9.844 5.906 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -5.224 -7.418 5.623 1.00 0.00 C ATOM 0 H VAL A 84 -3.153 -9.512 3.121 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.970 -7.194 4.510 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.914 -8.831 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.650 -10.073 6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.106 -10.689 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.122 -9.655 6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.266 -7.696 5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.773 -7.144 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.174 -6.569 4.941 1.00 0.00 H new ATOM 1284 N ASP A 85 -1.781 -9.664 6.312 1.00 0.00 N ATOM 1285 CA ASP A 85 -0.961 -9.973 7.471 1.00 0.00 C ATOM 1286 C ASP A 85 0.348 -9.186 7.388 1.00 0.00 C ATOM 1287 O ASP A 85 0.705 -8.469 8.321 1.00 0.00 O ATOM 1288 CB ASP A 85 -0.616 -11.463 7.520 1.00 0.00 C ATOM 1289 CG ASP A 85 -1.776 -12.384 7.900 1.00 0.00 C ATOM 1290 OD1 ASP A 85 -2.740 -12.441 7.106 1.00 0.00 O ATOM 1291 OD2 ASP A 85 -1.674 -13.011 8.977 1.00 0.00 O ATOM 0 H ASP A 85 -2.050 -10.473 5.752 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.524 -9.704 8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.237 -11.765 6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.194 -11.610 8.235 1.00 0.00 H new ATOM 1296 N LEU A 86 1.028 -9.347 6.263 1.00 0.00 N ATOM 1297 CA LEU A 86 2.290 -8.661 6.046 1.00 0.00 C ATOM 1298 C LEU A 86 2.046 -7.151 6.020 1.00 0.00 C ATOM 1299 O LEU A 86 2.804 -6.386 6.615 1.00 0.00 O ATOM 1300 CB LEU A 86 2.981 -9.194 4.789 1.00 0.00 C ATOM 1301 CG LEU A 86 3.435 -10.654 4.841 1.00 0.00 C ATOM 1302 CD1 LEU A 86 3.010 -11.406 3.579 1.00 0.00 C ATOM 1303 CD2 LEU A 86 4.942 -10.751 5.086 1.00 0.00 C ATOM 0 H LEU A 86 0.729 -9.943 5.491 1.00 0.00 H new ATOM 0 HA LEU A 86 2.978 -8.860 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.300 -9.076 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.852 -8.571 4.585 1.00 0.00 H new ATOM 0 HG LEU A 86 2.940 -11.136 5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.345 -12.441 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.924 -11.381 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.457 -10.932 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.239 -11.799 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.475 -10.248 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.188 -10.275 6.035 1.00 0.00 H new ATOM 1315 N MET A 87 0.986 -6.766 5.324 1.00 0.00 N ATOM 1316 CA MET A 87 0.633 -5.361 5.213 1.00 0.00 C ATOM 1317 C MET A 87 -0.025 -4.858 6.500 1.00 0.00 C ATOM 1318 O MET A 87 -1.123 -4.305 6.464 1.00 0.00 O ATOM 1319 CB MET A 87 -0.327 -5.167 4.038 1.00 0.00 C ATOM 1320 CG MET A 87 0.263 -5.738 2.747 1.00 0.00 C ATOM 1321 SD MET A 87 1.669 -4.764 2.236 1.00 0.00 S ATOM 1322 CE MET A 87 0.968 -3.126 2.347 1.00 0.00 C ATOM 0 H MET A 87 0.360 -7.403 4.831 1.00 0.00 H new ATOM 0 HA MET A 87 1.545 -4.788 5.046 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.277 -5.656 4.255 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.538 -4.106 3.907 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.565 -6.774 2.902 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.493 -5.740 1.962 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.418 -2.485 1.589 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.109 -3.179 2.185 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.166 -2.712 3.336 1.00 0.00 H new ATOM 1332 N LYS A 88 0.674 -5.068 7.605 1.00 0.00 N ATOM 1333 CA LYS A 88 0.172 -4.642 8.901 1.00 0.00 C ATOM 1334 C LYS A 88 0.520 -3.168 9.118 1.00 0.00 C ATOM 1335 O LYS A 88 1.520 -2.679 8.596 1.00 0.00 O ATOM 1336 CB LYS A 88 0.688 -5.566 10.005 1.00 0.00 C ATOM 1337 CG LYS A 88 1.392 -4.767 11.104 1.00 0.00 C ATOM 1338 CD LYS A 88 0.798 -5.082 12.478 1.00 0.00 C ATOM 1339 CE LYS A 88 1.861 -4.972 13.573 1.00 0.00 C ATOM 1340 NZ LYS A 88 1.224 -4.855 14.904 1.00 0.00 N ATOM 0 H LYS A 88 1.584 -5.528 7.630 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.915 -4.721 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.143 -6.126 10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.379 -6.295 9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.457 -5.000 11.102 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.299 -3.700 10.900 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.021 -4.394 12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.377 -6.087 12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.508 -5.849 13.549 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.493 -4.104 13.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.959 -4.781 15.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.625 -4.005 14.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.640 -5.696 15.084 1.00 0.00 H new ATOM 1354 N PRO A 89 -0.348 -2.484 9.912 1.00 0.00 N ATOM 1355 CA PRO A 89 -0.142 -1.076 10.206 1.00 0.00 C ATOM 1356 C PRO A 89 0.989 -0.887 11.219 1.00 0.00 C ATOM 1357 O PRO A 89 1.030 -1.568 12.242 1.00 0.00 O ATOM 1358 CB PRO A 89 -1.485 -0.580 10.715 1.00 0.00 C ATOM 1359 CG PRO A 89 -2.259 -1.822 11.127 1.00 0.00 C ATOM 1360 CD PRO A 89 -1.542 -3.031 10.548 1.00 0.00 C ATOM 0 HA PRO A 89 0.173 -0.505 9.332 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.357 0.098 11.559 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.017 -0.028 9.940 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.314 -1.895 12.213 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.284 -1.773 10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.283 -3.748 11.327 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.169 -3.556 9.828 1.00 0.00 H new ATOM 1368 N GLY A 90 1.878 0.041 10.899 1.00 0.00 N ATOM 1369 CA GLY A 90 3.006 0.329 11.768 1.00 0.00 C ATOM 1370 C GLY A 90 4.146 -0.665 11.535 1.00 0.00 C ATOM 1371 O GLY A 90 4.967 -0.893 12.422 1.00 0.00 O ATOM 0 H GLY A 90 1.840 0.604 10.049 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.360 1.343 11.586 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.688 0.285 12.810 1.00 0.00 H new ATOM 1375 N ALA A 91 4.160 -1.228 10.336 1.00 0.00 N ATOM 1376 CA ALA A 91 5.185 -2.192 9.974 1.00 0.00 C ATOM 1377 C ALA A 91 5.822 -1.779 8.646 1.00 0.00 C ATOM 1378 O ALA A 91 5.335 -0.868 7.977 1.00 0.00 O ATOM 1379 CB ALA A 91 4.572 -3.593 9.916 1.00 0.00 C ATOM 0 H ALA A 91 3.478 -1.035 9.603 1.00 0.00 H new ATOM 0 HA ALA A 91 5.974 -2.213 10.726 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.341 -4.316 9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.160 -3.851 10.892 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.777 -3.612 9.170 1.00 0.00 H new ATOM 1385 N THR A 92 6.900 -2.468 8.303 1.00 0.00 N ATOM 1386 CA THR A 92 7.608 -2.184 7.066 1.00 0.00 C ATOM 1387 C THR A 92 7.713 -3.447 6.209 1.00 0.00 C ATOM 1388 O THR A 92 8.111 -4.503 6.700 1.00 0.00 O ATOM 1389 CB THR A 92 8.966 -1.580 7.427 1.00 0.00 C ATOM 1390 OG1 THR A 92 8.639 -0.420 8.188 1.00 0.00 O ATOM 1391 CG2 THR A 92 9.705 -1.028 6.206 1.00 0.00 C ATOM 0 H THR A 92 7.301 -3.223 8.860 1.00 0.00 H new ATOM 0 HA THR A 92 7.066 -1.461 6.457 1.00 0.00 H new ATOM 0 HB THR A 92 9.582 -2.337 7.912 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.580 -0.657 9.137 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.663 -0.611 6.518 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.875 -1.832 5.490 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.104 -0.247 5.739 1.00 0.00 H new ATOM 1399 N VAL A 93 7.350 -3.298 4.944 1.00 0.00 N ATOM 1400 CA VAL A 93 7.398 -4.414 4.015 1.00 0.00 C ATOM 1401 C VAL A 93 7.881 -3.915 2.651 1.00 0.00 C ATOM 1402 O VAL A 93 7.809 -2.722 2.361 1.00 0.00 O ATOM 1403 CB VAL A 93 6.033 -5.102 3.951 1.00 0.00 C ATOM 1404 CG1 VAL A 93 5.717 -5.815 5.267 1.00 0.00 C ATOM 1405 CG2 VAL A 93 4.932 -4.103 3.591 1.00 0.00 C ATOM 0 H VAL A 93 7.021 -2.421 4.540 1.00 0.00 H new ATOM 0 HA VAL A 93 8.109 -5.166 4.357 1.00 0.00 H new ATOM 0 HB VAL A 93 6.073 -5.854 3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.741 -6.296 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.479 -6.569 5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.705 -5.089 6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.972 -4.618 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.892 -3.318 4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.146 -3.661 2.618 1.00 0.00 H new ATOM 1415 N ILE A 94 8.362 -4.854 1.850 1.00 0.00 N ATOM 1416 CA ILE A 94 8.856 -4.525 0.523 1.00 0.00 C ATOM 1417 C ILE A 94 7.967 -5.194 -0.528 1.00 0.00 C ATOM 1418 O ILE A 94 7.341 -6.217 -0.256 1.00 0.00 O ATOM 1419 CB ILE A 94 10.337 -4.888 0.398 1.00 0.00 C ATOM 1420 CG1 ILE A 94 11.226 -3.712 0.805 1.00 0.00 C ATOM 1421 CG2 ILE A 94 10.660 -5.391 -1.010 1.00 0.00 C ATOM 1422 CD1 ILE A 94 12.688 -4.146 0.927 1.00 0.00 C ATOM 0 H ILE A 94 8.420 -5.843 2.094 1.00 0.00 H new ATOM 0 HA ILE A 94 8.800 -3.450 0.351 1.00 0.00 H new ATOM 0 HB ILE A 94 10.549 -5.705 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.140 -2.914 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.883 -3.305 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.719 -5.642 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.063 -6.277 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.428 -4.612 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 94 13.298 -3.291 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.774 -4.927 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.035 -4.530 -0.032 1.00 0.00 H new ATOM 1434 N LEU A 95 7.941 -4.589 -1.706 1.00 0.00 N ATOM 1435 CA LEU A 95 7.140 -5.113 -2.799 1.00 0.00 C ATOM 1436 C LEU A 95 8.064 -5.568 -3.930 1.00 0.00 C ATOM 1437 O LEU A 95 8.964 -4.834 -4.335 1.00 0.00 O ATOM 1438 CB LEU A 95 6.093 -4.087 -3.236 1.00 0.00 C ATOM 1439 CG LEU A 95 4.640 -4.422 -2.891 1.00 0.00 C ATOM 1440 CD1 LEU A 95 4.426 -4.440 -1.377 1.00 0.00 C ATOM 1441 CD2 LEU A 95 3.675 -3.467 -3.596 1.00 0.00 C ATOM 0 H LEU A 95 8.462 -3.741 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 95 6.578 -5.989 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.342 -3.128 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.169 -3.958 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 95 4.424 -5.426 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.385 -4.681 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.074 -5.192 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.666 -3.460 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.649 -3.727 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.882 -2.444 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.806 -3.549 -4.675 1.00 0.00 H new ATOM 1453 N ARG A 96 7.809 -6.778 -4.408 1.00 0.00 N ATOM 1454 CA ARG A 96 8.607 -7.340 -5.485 1.00 0.00 C ATOM 1455 C ARG A 96 7.705 -7.779 -6.640 1.00 0.00 C ATOM 1456 O ARG A 96 6.628 -8.329 -6.416 1.00 0.00 O ATOM 1457 CB ARG A 96 9.422 -8.539 -4.998 1.00 0.00 C ATOM 1458 CG ARG A 96 10.688 -8.083 -4.270 1.00 0.00 C ATOM 1459 CD ARG A 96 11.096 -9.091 -3.194 1.00 0.00 C ATOM 1460 NE ARG A 96 12.411 -9.682 -3.526 1.00 0.00 N ATOM 1461 CZ ARG A 96 13.587 -9.091 -3.271 1.00 0.00 C ATOM 1462 NH1 ARG A 96 13.618 -7.889 -2.679 1.00 0.00 N ATOM 1463 NH2 ARG A 96 14.731 -9.702 -3.608 1.00 0.00 N ATOM 0 H ARG A 96 7.062 -7.384 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 96 9.292 -6.566 -5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.814 -9.149 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.693 -9.168 -5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.500 -7.962 -4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.518 -7.108 -3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.144 -8.599 -2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.344 -9.877 -3.116 1.00 0.00 H new ATOM 0 HE ARG A 96 12.424 -10.597 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.747 -7.424 -2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.513 -7.439 -2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.707 -10.617 -4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.626 -9.252 -3.414 1.00 0.00 H new ATOM 1477 N ASN A 97 8.179 -7.521 -7.850 1.00 0.00 N ATOM 1478 CA ASN A 97 7.429 -7.883 -9.040 1.00 0.00 C ATOM 1479 C ASN A 97 6.058 -7.205 -9.001 1.00 0.00 C ATOM 1480 O ASN A 97 5.126 -7.641 -9.674 1.00 0.00 O ATOM 1481 CB ASN A 97 7.206 -9.395 -9.112 1.00 0.00 C ATOM 1482 CG ASN A 97 8.278 -10.068 -9.971 1.00 0.00 C ATOM 1483 OD1 ASN A 97 7.791 -10.782 -10.982 1.00 0.00 O flip ATOM 1484 ND2 ASN A 97 9.468 -9.946 -9.733 1.00 0.00 N flip ATOM 0 H ASN A 97 9.073 -7.065 -8.032 1.00 0.00 H new ATOM 0 HA ASN A 97 8.002 -7.561 -9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.223 -9.817 -8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.220 -9.601 -9.528 1.00 0.00 H new ATOM 0 HD21 ASN A 97 9.774 -9.383 -8.940 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.157 -10.407 -10.327 1.00 0.00 H new ATOM 1491 N SER A 98 5.979 -6.148 -8.205 1.00 0.00 N ATOM 1492 CA SER A 98 4.738 -5.405 -8.068 1.00 0.00 C ATOM 1493 C SER A 98 4.417 -4.679 -9.376 1.00 0.00 C ATOM 1494 O SER A 98 5.315 -4.169 -10.044 1.00 0.00 O ATOM 1495 CB SER A 98 4.819 -4.406 -6.912 1.00 0.00 C ATOM 1496 OG SER A 98 5.737 -3.350 -7.182 1.00 0.00 O ATOM 0 H SER A 98 6.755 -5.789 -7.648 1.00 0.00 H new ATOM 0 HA SER A 98 3.938 -6.112 -7.846 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.830 -3.988 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.122 -4.927 -6.004 1.00 0.00 H new ATOM 0 HG SER A 98 6.647 -3.710 -7.222 1.00 0.00 H new ATOM 1502 N ARG A 99 3.133 -4.654 -9.702 1.00 0.00 N ATOM 1503 CA ARG A 99 2.682 -3.999 -10.918 1.00 0.00 C ATOM 1504 C ARG A 99 1.723 -2.856 -10.581 1.00 0.00 C ATOM 1505 O ARG A 99 1.065 -2.879 -9.541 1.00 0.00 O ATOM 1506 CB ARG A 99 1.978 -4.988 -11.849 1.00 0.00 C ATOM 1507 CG ARG A 99 1.139 -5.989 -11.051 1.00 0.00 C ATOM 1508 CD ARG A 99 0.143 -6.715 -11.958 1.00 0.00 C ATOM 1509 NE ARG A 99 -0.799 -5.743 -12.557 1.00 0.00 N ATOM 1510 CZ ARG A 99 -1.910 -6.086 -13.223 1.00 0.00 C ATOM 1511 NH1 ARG A 99 -2.225 -7.379 -13.379 1.00 0.00 N ATOM 1512 NH2 ARG A 99 -2.706 -5.136 -13.732 1.00 0.00 N ATOM 0 H ARG A 99 2.391 -5.077 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 99 3.561 -3.603 -11.426 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.339 -4.446 -12.545 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.718 -5.522 -12.445 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.794 -6.715 -10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.602 -5.468 -10.258 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.677 -7.248 -12.745 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.407 -7.461 -11.384 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.589 -4.750 -12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.619 -8.102 -12.991 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.071 -7.640 -13.886 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.466 -4.152 -13.613 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.552 -5.397 -14.239 1.00 0.00 H new ATOM 1526 N ILE A 100 1.673 -1.883 -11.478 1.00 0.00 N ATOM 1527 CA ILE A 100 0.805 -0.733 -11.289 1.00 0.00 C ATOM 1528 C ILE A 100 -0.428 -0.877 -12.183 1.00 0.00 C ATOM 1529 O ILE A 100 -0.305 -1.011 -13.399 1.00 0.00 O ATOM 1530 CB ILE A 100 1.580 0.566 -11.515 1.00 0.00 C ATOM 1531 CG1 ILE A 100 2.622 0.782 -10.416 1.00 0.00 C ATOM 1532 CG2 ILE A 100 0.628 1.757 -11.644 1.00 0.00 C ATOM 1533 CD1 ILE A 100 1.950 1.014 -9.061 1.00 0.00 C ATOM 0 H ILE A 100 2.220 -1.867 -12.339 1.00 0.00 H new ATOM 0 HA ILE A 100 0.449 -0.690 -10.260 1.00 0.00 H new ATOM 0 HB ILE A 100 2.120 0.481 -12.458 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.278 -0.086 -10.357 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.248 1.638 -10.667 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.205 2.668 -11.804 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.041 1.598 -12.490 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.042 1.855 -10.730 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.713 1.165 -8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.313 1.897 -9.117 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.344 0.146 -8.802 1.00 0.00 H new ATOM 1545 N ASP A 101 -1.589 -0.846 -11.545 1.00 0.00 N ATOM 1546 CA ASP A 101 -2.843 -0.971 -12.267 1.00 0.00 C ATOM 1547 C ASP A 101 -3.385 0.424 -12.587 1.00 0.00 C ATOM 1548 O ASP A 101 -3.539 1.253 -11.692 1.00 0.00 O ATOM 1549 CB ASP A 101 -3.891 -1.704 -11.427 1.00 0.00 C ATOM 1550 CG ASP A 101 -3.865 -1.379 -9.933 1.00 0.00 C ATOM 1551 OD1 ASP A 101 -3.030 -1.991 -9.233 1.00 0.00 O ATOM 1552 OD2 ASP A 101 -4.682 -0.525 -9.523 1.00 0.00 O ATOM 0 H ASP A 101 -1.687 -0.736 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.652 -1.536 -13.179 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.880 -1.465 -11.818 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.749 -2.777 -11.552 1.00 0.00 H new ATOM 1557 N MET A 102 -3.658 0.639 -13.865 1.00 0.00 N ATOM 1558 CA MET A 102 -4.179 1.919 -14.314 1.00 0.00 C ATOM 1559 C MET A 102 -5.631 2.106 -13.870 1.00 0.00 C ATOM 1560 O MET A 102 -6.541 1.514 -14.446 1.00 0.00 O ATOM 1561 CB MET A 102 -4.097 1.997 -15.840 1.00 0.00 C ATOM 1562 CG MET A 102 -3.748 3.414 -16.299 1.00 0.00 C ATOM 1563 SD MET A 102 -4.746 4.604 -15.418 1.00 0.00 S ATOM 1564 CE MET A 102 -3.462 5.578 -14.651 1.00 0.00 C ATOM 0 H MET A 102 -3.528 -0.052 -14.604 1.00 0.00 H new ATOM 0 HA MET A 102 -3.578 2.711 -13.868 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.344 1.298 -16.203 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.050 1.694 -16.275 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.691 3.612 -16.123 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.916 3.509 -17.372 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.904 6.454 -14.176 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.950 4.977 -13.900 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.747 5.899 -15.409 1.00 0.00 H new ATOM 1574 N PHE A 103 -5.801 2.933 -12.848 1.00 0.00 N ATOM 1575 CA PHE A 103 -7.127 3.206 -12.320 1.00 0.00 C ATOM 1576 C PHE A 103 -7.743 4.434 -12.992 1.00 0.00 C ATOM 1577 O PHE A 103 -7.028 5.266 -13.549 1.00 0.00 O ATOM 1578 CB PHE A 103 -6.964 3.485 -10.824 1.00 0.00 C ATOM 1579 CG PHE A 103 -8.113 2.958 -9.964 1.00 0.00 C ATOM 1580 CD1 PHE A 103 -8.077 1.685 -9.485 1.00 0.00 C ATOM 1581 CD2 PHE A 103 -9.172 3.762 -9.677 1.00 0.00 C ATOM 1582 CE1 PHE A 103 -9.144 1.196 -8.687 1.00 0.00 C ATOM 1583 CE2 PHE A 103 -10.239 3.272 -8.878 1.00 0.00 C ATOM 1584 CZ PHE A 103 -10.203 1.999 -8.400 1.00 0.00 C ATOM 0 H PHE A 103 -5.043 3.422 -12.372 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.784 2.356 -12.506 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.032 3.037 -10.481 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.875 4.561 -10.673 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.236 1.046 -9.712 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -9.201 4.773 -10.057 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.115 0.185 -8.307 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -11.080 3.911 -8.650 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.015 1.626 -7.793 1.00 0.00 H new ATOM 1594 N LYS A 104 -9.064 4.510 -12.918 1.00 0.00 N ATOM 1595 CA LYS A 104 -9.784 5.623 -13.512 1.00 0.00 C ATOM 1596 C LYS A 104 -9.028 6.923 -13.230 1.00 0.00 C ATOM 1597 O LYS A 104 -9.178 7.513 -12.161 1.00 0.00 O ATOM 1598 CB LYS A 104 -11.236 5.640 -13.031 1.00 0.00 C ATOM 1599 CG LYS A 104 -11.308 5.614 -11.503 1.00 0.00 C ATOM 1600 CD LYS A 104 -12.510 6.414 -10.997 1.00 0.00 C ATOM 1601 CE LYS A 104 -13.370 5.573 -10.052 1.00 0.00 C ATOM 1602 NZ LYS A 104 -14.779 5.559 -10.507 1.00 0.00 N ATOM 0 H LYS A 104 -9.654 3.818 -12.455 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.832 5.510 -14.595 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.737 6.532 -13.407 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.768 4.780 -13.438 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.381 4.583 -11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.390 6.027 -11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.164 7.309 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.112 6.747 -11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.985 4.554 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.312 5.977 -9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.349 4.984 -9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -15.148 6.531 -10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.831 5.152 -11.463 1.00 0.00 H new ATOM 1616 N GLY A 105 -8.232 7.332 -14.207 1.00 0.00 N ATOM 1617 CA GLY A 105 -7.452 8.551 -14.077 1.00 0.00 C ATOM 1618 C GLY A 105 -6.565 8.504 -12.832 1.00 0.00 C ATOM 1619 O GLY A 105 -6.290 9.537 -12.222 1.00 0.00 O ATOM 0 H GLY A 105 -8.110 6.841 -15.092 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.833 8.687 -14.964 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.120 9.410 -14.020 1.00 0.00 H new ATOM 1623 N THR A 106 -6.142 7.296 -12.490 1.00 0.00 N ATOM 1624 CA THR A 106 -5.292 7.101 -11.329 1.00 0.00 C ATOM 1625 C THR A 106 -4.591 5.743 -11.403 1.00 0.00 C ATOM 1626 O THR A 106 -4.711 5.032 -12.399 1.00 0.00 O ATOM 1627 CB THR A 106 -6.154 7.272 -10.077 1.00 0.00 C ATOM 1628 OG1 THR A 106 -7.403 6.685 -10.433 1.00 0.00 O ATOM 1629 CG2 THR A 106 -6.498 8.737 -9.798 1.00 0.00 C ATOM 0 H THR A 106 -6.373 6.442 -12.998 1.00 0.00 H new ATOM 0 HA THR A 106 -4.494 7.842 -11.295 1.00 0.00 H new ATOM 0 HB THR A 106 -5.632 6.851 -9.217 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.981 7.366 -10.836 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.111 8.802 -8.899 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.579 9.305 -9.653 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.049 9.149 -10.643 1.00 0.00 H new ATOM 1637 N MET A 107 -3.874 5.424 -10.335 1.00 0.00 N ATOM 1638 CA MET A 107 -3.154 4.164 -10.266 1.00 0.00 C ATOM 1639 C MET A 107 -3.062 3.662 -8.823 1.00 0.00 C ATOM 1640 O MET A 107 -3.452 4.365 -7.892 1.00 0.00 O ATOM 1641 CB MET A 107 -1.745 4.350 -10.832 1.00 0.00 C ATOM 1642 CG MET A 107 -1.173 5.715 -10.445 1.00 0.00 C ATOM 1643 SD MET A 107 -1.252 5.929 -8.674 1.00 0.00 S ATOM 1644 CE MET A 107 0.455 5.622 -8.249 1.00 0.00 C ATOM 0 H MET A 107 -3.776 6.017 -9.511 1.00 0.00 H new ATOM 0 HA MET A 107 -3.697 3.424 -10.854 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.093 3.560 -10.460 1.00 0.00 H new ATOM 0 HB3 MET A 107 -1.770 4.257 -11.918 1.00 0.00 H new ATOM 0 HG2 MET A 107 -0.140 5.795 -10.784 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.734 6.507 -10.941 1.00 0.00 H new ATOM 0 HE1 MET A 107 0.548 5.522 -7.168 1.00 0.00 H new ATOM 0 HE2 MET A 107 0.790 4.702 -8.729 1.00 0.00 H new ATOM 0 HE3 MET A 107 1.070 6.454 -8.591 1.00 0.00 H new ATOM 1654 N ARG A 108 -2.545 2.451 -8.683 1.00 0.00 N ATOM 1655 CA ARG A 108 -2.397 1.847 -7.370 1.00 0.00 C ATOM 1656 C ARG A 108 -1.283 0.799 -7.390 1.00 0.00 C ATOM 1657 O ARG A 108 -0.864 0.354 -8.457 1.00 0.00 O ATOM 1658 CB ARG A 108 -3.702 1.187 -6.917 1.00 0.00 C ATOM 1659 CG ARG A 108 -4.717 2.237 -6.462 1.00 0.00 C ATOM 1660 CD ARG A 108 -5.980 1.573 -5.909 1.00 0.00 C ATOM 1661 NE ARG A 108 -6.459 0.535 -6.848 1.00 0.00 N ATOM 1662 CZ ARG A 108 -6.091 -0.753 -6.796 1.00 0.00 C ATOM 1663 NH1 ARG A 108 -5.238 -1.168 -5.849 1.00 0.00 N ATOM 1664 NH2 ARG A 108 -6.576 -1.625 -7.690 1.00 0.00 N ATOM 0 H ARG A 108 -2.223 1.871 -9.458 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.141 2.640 -6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.121 0.601 -7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.499 0.494 -6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.271 2.872 -5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.978 2.883 -7.300 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.770 1.127 -4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.757 2.322 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.110 0.817 -7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.869 -0.504 -5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.958 -2.148 -5.809 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.225 -1.309 -8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.296 -2.605 -7.650 1.00 0.00 H new ATOM 1678 N LEU A 109 -0.836 0.434 -6.197 1.00 0.00 N ATOM 1679 CA LEU A 109 0.221 -0.554 -6.064 1.00 0.00 C ATOM 1680 C LEU A 109 -0.400 -1.924 -5.786 1.00 0.00 C ATOM 1681 O LEU A 109 -1.314 -2.042 -4.971 1.00 0.00 O ATOM 1682 CB LEU A 109 1.236 -0.113 -5.008 1.00 0.00 C ATOM 1683 CG LEU A 109 2.542 -0.909 -4.960 1.00 0.00 C ATOM 1684 CD1 LEU A 109 3.320 -0.767 -6.270 1.00 0.00 C ATOM 1685 CD2 LEU A 109 3.384 -0.509 -3.747 1.00 0.00 C ATOM 0 H LEU A 109 -1.187 0.805 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 109 0.781 -0.641 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.479 0.935 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.761 -0.173 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 109 2.294 -1.964 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.244 -1.342 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.714 -1.140 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.557 0.283 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.306 -1.090 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.624 0.553 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.822 -0.705 -2.834 1.00 0.00 H new ATOM 1697 N GLY A 110 0.121 -2.926 -6.479 1.00 0.00 N ATOM 1698 CA GLY A 110 -0.371 -4.284 -6.317 1.00 0.00 C ATOM 1699 C GLY A 110 0.732 -5.305 -6.607 1.00 0.00 C ATOM 1700 O GLY A 110 1.862 -4.932 -6.915 1.00 0.00 O ATOM 0 H GLY A 110 0.879 -2.825 -7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.741 -4.422 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.213 -4.452 -6.989 1.00 0.00 H new ATOM 1704 N VAL A 111 0.363 -6.573 -6.497 1.00 0.00 N ATOM 1705 CA VAL A 111 1.307 -7.650 -6.744 1.00 0.00 C ATOM 1706 C VAL A 111 0.613 -8.757 -7.540 1.00 0.00 C ATOM 1707 O VAL A 111 -0.387 -9.315 -7.092 1.00 0.00 O ATOM 1708 CB VAL A 111 1.895 -8.144 -5.420 1.00 0.00 C ATOM 1709 CG1 VAL A 111 2.255 -9.629 -5.501 1.00 0.00 C ATOM 1710 CG2 VAL A 111 3.109 -7.306 -5.014 1.00 0.00 C ATOM 0 H VAL A 111 -0.576 -6.878 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 111 2.145 -7.294 -7.344 1.00 0.00 H new ATOM 0 HB VAL A 111 1.134 -8.026 -4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.671 -9.955 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.359 -10.209 -5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.992 -9.782 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.508 -7.677 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.875 -7.378 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.809 -6.265 -4.897 1.00 0.00 H new ATOM 1720 N ASP A 112 1.172 -9.042 -8.707 1.00 0.00 N ATOM 1721 CA ASP A 112 0.620 -10.073 -9.569 1.00 0.00 C ATOM 1722 C ASP A 112 0.946 -11.449 -8.986 1.00 0.00 C ATOM 1723 O ASP A 112 1.665 -11.552 -7.993 1.00 0.00 O ATOM 1724 CB ASP A 112 1.225 -9.999 -10.973 1.00 0.00 C ATOM 1725 CG ASP A 112 0.229 -9.684 -12.090 1.00 0.00 C ATOM 1726 OD1 ASP A 112 -0.985 -9.717 -11.795 1.00 0.00 O ATOM 1727 OD2 ASP A 112 0.704 -9.417 -13.215 1.00 0.00 O ATOM 0 H ASP A 112 2.002 -8.577 -9.076 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.457 -9.919 -9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 112 2.005 -9.237 -10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.708 -10.951 -11.195 1.00 0.00 H new ATOM 1732 N LYS A 113 0.402 -12.473 -9.627 1.00 0.00 N ATOM 1733 CA LYS A 113 0.626 -13.838 -9.184 1.00 0.00 C ATOM 1734 C LYS A 113 2.123 -14.147 -9.237 1.00 0.00 C ATOM 1735 O LYS A 113 2.601 -15.039 -8.537 1.00 0.00 O ATOM 1736 CB LYS A 113 -0.232 -14.812 -9.994 1.00 0.00 C ATOM 1737 CG LYS A 113 0.168 -14.797 -11.471 1.00 0.00 C ATOM 1738 CD LYS A 113 -0.471 -15.966 -12.224 1.00 0.00 C ATOM 1739 CE LYS A 113 0.417 -17.210 -12.160 1.00 0.00 C ATOM 1740 NZ LYS A 113 -0.262 -18.293 -11.413 1.00 0.00 N ATOM 0 H LYS A 113 -0.194 -12.384 -10.450 1.00 0.00 H new ATOM 0 HA LYS A 113 0.311 -13.959 -8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.121 -15.820 -9.594 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.284 -14.544 -9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.140 -13.855 -11.925 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.253 -14.853 -11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.448 -16.189 -11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -0.637 -15.686 -13.264 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.653 -17.548 -13.169 1.00 0.00 H new ATOM 0 HE3 LYS A 113 1.363 -16.965 -11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.354 -19.130 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.465 -17.972 -10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.153 -18.538 -11.890 1.00 0.00 H new ATOM 1754 N TRP A 114 2.822 -13.394 -10.073 1.00 0.00 N ATOM 1755 CA TRP A 114 4.255 -13.576 -10.226 1.00 0.00 C ATOM 1756 C TRP A 114 4.960 -12.577 -9.305 1.00 0.00 C ATOM 1757 O TRP A 114 6.122 -12.239 -9.524 1.00 0.00 O ATOM 1758 CB TRP A 114 4.672 -13.436 -11.691 1.00 0.00 C ATOM 1759 CG TRP A 114 3.828 -14.265 -12.661 1.00 0.00 C ATOM 1760 CD1 TRP A 114 2.736 -13.883 -13.338 1.00 0.00 C ATOM 1761 CD2 TRP A 114 4.051 -15.640 -13.036 1.00 0.00 C ATOM 1762 NE1 TRP A 114 2.242 -14.907 -14.119 1.00 0.00 N ATOM 1763 CE2 TRP A 114 3.066 -16.010 -13.930 1.00 0.00 C ATOM 1764 CE3 TRP A 114 5.051 -16.543 -12.633 1.00 0.00 C ATOM 1765 CZ2 TRP A 114 2.986 -17.288 -14.497 1.00 0.00 C ATOM 1766 CZ3 TRP A 114 4.957 -17.815 -13.209 1.00 0.00 C ATOM 1767 CH2 TRP A 114 3.972 -18.203 -14.110 1.00 0.00 C ATOM 0 H TRP A 114 2.422 -12.656 -10.652 1.00 0.00 H new ATOM 0 HA TRP A 114 4.549 -14.585 -9.935 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.609 -12.386 -11.977 1.00 0.00 H new ATOM 0 HB3 TRP A 114 5.716 -13.732 -11.790 1.00 0.00 H new ATOM 0 HD1 TRP A 114 2.298 -12.898 -13.279 1.00 0.00 H new ATOM 0 HE1 TRP A 114 1.422 -14.863 -14.724 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.830 -16.276 -11.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 2.206 -17.553 -15.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.702 -18.547 -12.934 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.968 -19.206 -14.510 1.00 0.00 H new ATOM 1778 N GLY A 115 4.227 -12.133 -8.295 1.00 0.00 N ATOM 1779 CA GLY A 115 4.767 -11.180 -7.341 1.00 0.00 C ATOM 1780 C GLY A 115 4.390 -11.565 -5.909 1.00 0.00 C ATOM 1781 O GLY A 115 3.293 -12.066 -5.665 1.00 0.00 O ATOM 0 H GLY A 115 3.263 -12.416 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.852 -11.139 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.389 -10.182 -7.565 1.00 0.00 H new ATOM 1785 N ARG A 116 5.319 -11.315 -4.998 1.00 0.00 N ATOM 1786 CA ARG A 116 5.098 -11.628 -3.597 1.00 0.00 C ATOM 1787 C ARG A 116 5.734 -10.558 -2.707 1.00 0.00 C ATOM 1788 O ARG A 116 6.664 -9.871 -3.125 1.00 0.00 O ATOM 1789 CB ARG A 116 5.686 -12.995 -3.239 1.00 0.00 C ATOM 1790 CG ARG A 116 7.144 -13.100 -3.690 1.00 0.00 C ATOM 1791 CD ARG A 116 7.960 -13.951 -2.714 1.00 0.00 C ATOM 1792 NE ARG A 116 9.077 -14.608 -3.428 1.00 0.00 N ATOM 1793 CZ ARG A 116 9.886 -15.523 -2.877 1.00 0.00 C ATOM 1794 NH1 ARG A 116 9.706 -15.896 -1.603 1.00 0.00 N ATOM 1795 NH2 ARG A 116 10.875 -16.066 -3.601 1.00 0.00 N ATOM 0 H ARG A 116 6.227 -10.899 -5.203 1.00 0.00 H new ATOM 0 HA ARG A 116 4.021 -11.652 -3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 116 5.623 -13.151 -2.162 1.00 0.00 H new ATOM 0 HB3 ARG A 116 5.098 -13.782 -3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 116 7.189 -13.539 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 116 7.579 -12.103 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 116 8.349 -13.326 -1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 116 7.321 -14.703 -2.252 1.00 0.00 H new ATOM 0 HE ARG A 116 9.241 -14.348 -4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 116 8.953 -15.483 -1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 116 10.322 -16.593 -1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.012 -15.783 -4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 116 11.491 -16.763 -3.182 1.00 0.00 H new ATOM 1809 N ILE A 117 5.206 -10.451 -1.496 1.00 0.00 N ATOM 1810 CA ILE A 117 5.711 -9.477 -0.544 1.00 0.00 C ATOM 1811 C ILE A 117 7.017 -9.992 0.064 1.00 0.00 C ATOM 1812 O ILE A 117 7.266 -11.197 0.078 1.00 0.00 O ATOM 1813 CB ILE A 117 4.640 -9.140 0.496 1.00 0.00 C ATOM 1814 CG1 ILE A 117 3.736 -8.007 0.005 1.00 0.00 C ATOM 1815 CG2 ILE A 117 5.273 -8.821 1.852 1.00 0.00 C ATOM 1816 CD1 ILE A 117 2.585 -7.760 0.982 1.00 0.00 C ATOM 0 H ILE A 117 4.434 -11.023 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 117 5.942 -8.538 -1.047 1.00 0.00 H new ATOM 0 HB ILE A 117 4.010 -10.019 0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 117 4.321 -7.095 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.336 -8.256 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.490 -8.585 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.839 -9.684 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.941 -7.966 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.958 -6.950 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 117 1.988 -8.667 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 117 2.988 -7.487 1.957 1.00 0.00 H new ATOM 1828 N GLU A 118 7.816 -9.055 0.552 1.00 0.00 N ATOM 1829 CA GLU A 118 9.090 -9.400 1.159 1.00 0.00 C ATOM 1830 C GLU A 118 8.960 -9.430 2.683 1.00 0.00 C ATOM 1831 O GLU A 118 9.357 -10.402 3.324 1.00 0.00 O ATOM 1832 CB GLU A 118 10.187 -8.427 0.722 1.00 0.00 C ATOM 1833 CG GLU A 118 11.413 -8.539 1.630 1.00 0.00 C ATOM 1834 CD GLU A 118 12.694 -8.686 0.806 1.00 0.00 C ATOM 1835 OE1 GLU A 118 12.905 -9.800 0.279 1.00 0.00 O ATOM 1836 OE2 GLU A 118 13.433 -7.682 0.722 1.00 0.00 O ATOM 0 H GLU A 118 7.606 -8.057 0.539 1.00 0.00 H new ATOM 0 HA GLU A 118 9.375 -10.395 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.473 -8.635 -0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.804 -7.407 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.483 -7.654 2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.302 -9.397 2.293 1.00 0.00 H new ATOM 1843 N ALA A 119 8.403 -8.355 3.220 1.00 0.00 N ATOM 1844 CA ALA A 119 8.216 -8.246 4.656 1.00 0.00 C ATOM 1845 C ALA A 119 9.533 -7.819 5.307 1.00 0.00 C ATOM 1846 O ALA A 119 9.938 -8.379 6.324 1.00 0.00 O ATOM 1847 CB ALA A 119 7.699 -9.577 5.206 1.00 0.00 C ATOM 0 H ALA A 119 8.075 -7.551 2.685 1.00 0.00 H new ATOM 0 HA ALA A 119 7.471 -7.485 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.559 -9.495 6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 119 6.747 -9.821 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.422 -10.364 4.993 1.00 0.00 H new ATOM 1853 N THR A 120 10.166 -6.829 4.693 1.00 0.00 N ATOM 1854 CA THR A 120 11.429 -6.320 5.200 1.00 0.00 C ATOM 1855 C THR A 120 11.350 -6.109 6.713 1.00 0.00 C ATOM 1856 O THR A 120 10.274 -6.203 7.302 1.00 0.00 O ATOM 1857 CB THR A 120 11.770 -5.046 4.425 1.00 0.00 C ATOM 1858 OG1 THR A 120 12.927 -4.538 5.083 1.00 0.00 O ATOM 1859 CG2 THR A 120 10.722 -3.947 4.614 1.00 0.00 C ATOM 0 H THR A 120 9.827 -6.366 3.849 1.00 0.00 H new ATOM 0 HA THR A 120 12.235 -7.037 5.046 1.00 0.00 H new ATOM 0 HB THR A 120 11.863 -5.281 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 120 13.217 -3.712 4.643 1.00 0.00 H new ATOM 0 HG21 THR A 120 11.012 -3.065 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 120 9.753 -4.304 4.263 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.653 -3.688 5.671 1.00 0.00 H new ATOM 1867 N GLY A 121 12.504 -5.826 7.300 1.00 0.00 N ATOM 1868 CA GLY A 121 12.579 -5.601 8.733 1.00 0.00 C ATOM 1869 C GLY A 121 11.703 -4.417 9.149 1.00 0.00 C ATOM 1870 O GLY A 121 10.487 -4.555 9.276 1.00 0.00 O ATOM 0 H GLY A 121 13.394 -5.747 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.259 -6.498 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 121 13.613 -5.412 9.021 1.00 0.00 H new ATOM 1874 N ALA A 122 12.354 -3.281 9.348 1.00 0.00 N ATOM 1875 CA ALA A 122 11.650 -2.074 9.747 1.00 0.00 C ATOM 1876 C ALA A 122 11.998 -0.942 8.778 1.00 0.00 C ATOM 1877 O ALA A 122 12.973 -1.035 8.035 1.00 0.00 O ATOM 1878 CB ALA A 122 12.003 -1.731 11.195 1.00 0.00 C ATOM 0 H ALA A 122 13.362 -3.170 9.240 1.00 0.00 H new ATOM 0 HA ALA A 122 10.572 -2.227 9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.475 -0.826 11.494 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.709 -2.554 11.846 1.00 0.00 H new ATOM 0 HB3 ALA A 122 13.078 -1.568 11.279 1.00 0.00 H new ATOM 1884 N ALA A 123 11.180 0.100 8.818 1.00 0.00 N ATOM 1885 CA ALA A 123 11.389 1.248 7.953 1.00 0.00 C ATOM 1886 C ALA A 123 12.269 2.271 8.674 1.00 0.00 C ATOM 1887 O ALA A 123 11.939 2.715 9.772 1.00 0.00 O ATOM 1888 CB ALA A 123 10.036 1.831 7.541 1.00 0.00 C ATOM 0 H ALA A 123 10.372 0.173 9.436 1.00 0.00 H new ATOM 0 HA ALA A 123 11.907 0.951 7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.193 2.692 6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.461 1.074 7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.488 2.142 8.430 1.00 0.00 H new ATOM 1894 N SER A 124 13.373 2.615 8.027 1.00 0.00 N ATOM 1895 CA SER A 124 14.303 3.578 8.592 1.00 0.00 C ATOM 1896 C SER A 124 13.969 4.985 8.093 1.00 0.00 C ATOM 1897 O SER A 124 14.651 5.948 8.438 1.00 0.00 O ATOM 1898 CB SER A 124 15.748 3.219 8.241 1.00 0.00 C ATOM 1899 OG SER A 124 16.334 2.354 9.210 1.00 0.00 O ATOM 0 H SER A 124 13.644 2.244 7.117 1.00 0.00 H new ATOM 0 HA SER A 124 14.204 3.552 9.677 1.00 0.00 H new ATOM 0 HB2 SER A 124 15.775 2.739 7.263 1.00 0.00 H new ATOM 0 HB3 SER A 124 16.340 4.131 8.164 1.00 0.00 H new ATOM 0 HG SER A 124 17.256 2.147 8.949 1.00 0.00 H new ATOM 1905 N PHE A 125 12.920 5.058 7.286 1.00 0.00 N ATOM 1906 CA PHE A 125 12.487 6.331 6.736 1.00 0.00 C ATOM 1907 C PHE A 125 11.074 6.681 7.207 1.00 0.00 C ATOM 1908 O PHE A 125 10.349 5.818 7.699 1.00 0.00 O ATOM 1909 CB PHE A 125 12.482 6.181 5.213 1.00 0.00 C ATOM 1910 CG PHE A 125 11.607 5.034 4.704 1.00 0.00 C ATOM 1911 CD1 PHE A 125 10.255 5.097 4.841 1.00 0.00 C ATOM 1912 CD2 PHE A 125 12.180 3.950 4.115 1.00 0.00 C ATOM 1913 CE1 PHE A 125 9.443 4.032 4.369 1.00 0.00 C ATOM 1914 CE2 PHE A 125 11.368 2.885 3.643 1.00 0.00 C ATOM 1915 CZ PHE A 125 10.016 2.949 3.780 1.00 0.00 C ATOM 0 H PHE A 125 12.358 4.256 7.000 1.00 0.00 H new ATOM 0 HA PHE A 125 13.157 7.125 7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 125 12.136 7.114 4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 125 13.505 6.024 4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.799 5.957 5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 125 13.253 3.899 4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.370 4.082 4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 125 11.824 2.025 3.175 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.398 2.139 3.421 1.00 0.00 H new ATOM 1925 N THR A 126 10.726 7.948 7.040 1.00 0.00 N ATOM 1926 CA THR A 126 9.412 8.422 7.442 1.00 0.00 C ATOM 1927 C THR A 126 8.535 8.669 6.213 1.00 0.00 C ATOM 1928 O THR A 126 8.802 9.578 5.428 1.00 0.00 O ATOM 1929 CB THR A 126 9.605 9.667 8.311 1.00 0.00 C ATOM 1930 OG1 THR A 126 10.380 9.204 9.413 1.00 0.00 O ATOM 1931 CG2 THR A 126 8.298 10.144 8.948 1.00 0.00 C ATOM 0 H THR A 126 11.330 8.661 6.632 1.00 0.00 H new ATOM 0 HA THR A 126 8.885 7.673 8.033 1.00 0.00 H new ATOM 0 HB THR A 126 10.028 10.470 7.707 1.00 0.00 H new ATOM 0 HG1 THR A 126 10.553 9.948 10.027 1.00 0.00 H new ATOM 0 HG21 THR A 126 8.490 11.029 9.554 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.580 10.389 8.165 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.891 9.354 9.579 1.00 0.00 H new ATOM 1939 N VAL A 127 7.506 7.844 6.085 1.00 0.00 N ATOM 1940 CA VAL A 127 6.588 7.962 4.965 1.00 0.00 C ATOM 1941 C VAL A 127 5.968 9.361 4.963 1.00 0.00 C ATOM 1942 O VAL A 127 5.700 9.926 6.023 1.00 0.00 O ATOM 1943 CB VAL A 127 5.544 6.845 5.025 1.00 0.00 C ATOM 1944 CG1 VAL A 127 4.416 7.094 4.021 1.00 0.00 C ATOM 1945 CG2 VAL A 127 6.190 5.477 4.796 1.00 0.00 C ATOM 0 H VAL A 127 7.288 7.092 6.738 1.00 0.00 H new ATOM 0 HA VAL A 127 7.120 7.842 4.021 1.00 0.00 H new ATOM 0 HB VAL A 127 5.109 6.847 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.688 6.286 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.928 8.041 4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.828 7.133 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 127 5.426 4.701 4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 127 6.665 5.459 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 127 6.940 5.295 5.566 1.00 0.00 H new ATOM 1955 N LYS A 128 5.758 9.879 3.762 1.00 0.00 N ATOM 1956 CA LYS A 128 5.175 11.201 3.609 1.00 0.00 C ATOM 1957 C LYS A 128 3.653 11.074 3.514 1.00 0.00 C ATOM 1958 O LYS A 128 3.099 11.014 2.418 1.00 0.00 O ATOM 1959 CB LYS A 128 5.807 11.931 2.422 1.00 0.00 C ATOM 1960 CG LYS A 128 5.250 13.350 2.292 1.00 0.00 C ATOM 1961 CD LYS A 128 6.380 14.376 2.194 1.00 0.00 C ATOM 1962 CE LYS A 128 6.853 14.535 0.748 1.00 0.00 C ATOM 1963 NZ LYS A 128 7.909 15.568 0.658 1.00 0.00 N ATOM 0 H LYS A 128 5.981 9.407 2.886 1.00 0.00 H new ATOM 0 HA LYS A 128 5.390 11.816 4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.889 11.971 2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 128 5.614 11.375 1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 128 4.616 13.416 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 128 4.621 13.578 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 128 6.037 15.338 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 128 7.215 14.064 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.234 13.584 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 128 6.012 14.811 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.218 15.663 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 7.533 16.478 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 8.718 15.290 1.249 1.00 0.00 H new ATOM 1977 N GLU A 129 3.021 11.037 4.678 1.00 0.00 N ATOM 1978 CA GLU A 129 1.574 10.918 4.739 1.00 0.00 C ATOM 1979 C GLU A 129 0.914 12.203 4.235 1.00 0.00 C ATOM 1980 O GLU A 129 0.193 12.868 4.978 1.00 0.00 O ATOM 1981 CB GLU A 129 1.111 10.585 6.159 1.00 0.00 C ATOM 1982 CG GLU A 129 0.793 9.095 6.297 1.00 0.00 C ATOM 1983 CD GLU A 129 -0.471 8.879 7.131 1.00 0.00 C ATOM 1984 OE1 GLU A 129 -0.468 9.334 8.295 1.00 0.00 O ATOM 1985 OE2 GLU A 129 -1.413 8.264 6.585 1.00 0.00 O ATOM 0 H GLU A 129 3.484 11.087 5.586 1.00 0.00 H new ATOM 0 HA GLU A 129 1.269 10.097 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.887 10.862 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.227 11.173 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 129 0.660 8.655 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 129 1.633 8.582 6.764 1.00 0.00 H new ATOM 1992 N ASP A 130 1.184 12.515 2.976 1.00 0.00 N ATOM 1993 CA ASP A 130 0.626 13.708 2.364 1.00 0.00 C ATOM 1994 C ASP A 130 0.841 13.648 0.850 1.00 0.00 C ATOM 1995 O ASP A 130 -0.055 13.987 0.078 1.00 0.00 O ATOM 1996 CB ASP A 130 1.313 14.970 2.889 1.00 0.00 C ATOM 1997 CG ASP A 130 0.375 16.141 3.188 1.00 0.00 C ATOM 1998 OD1 ASP A 130 -0.753 16.115 2.651 1.00 0.00 O ATOM 1999 OD2 ASP A 130 0.808 17.035 3.947 1.00 0.00 O ATOM 0 H ASP A 130 1.782 11.961 2.363 1.00 0.00 H new ATOM 0 HA ASP A 130 -0.435 13.747 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 130 1.856 14.718 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.052 15.294 2.157 1.00 0.00 H new ATOM 2004 N ASN A 131 2.033 13.213 0.471 1.00 0.00 N ATOM 2005 CA ASN A 131 2.377 13.104 -0.937 1.00 0.00 C ATOM 2006 C ASN A 131 1.829 11.787 -1.491 1.00 0.00 C ATOM 2007 O ASN A 131 2.555 11.030 -2.132 1.00 0.00 O ATOM 2008 CB ASN A 131 3.894 13.106 -1.135 1.00 0.00 C ATOM 2009 CG ASN A 131 4.254 13.210 -2.619 1.00 0.00 C ATOM 2010 OD1 ASN A 131 4.902 12.151 -3.094 1.00 0.00 O flip ATOM 2011 ND2 ASN A 131 3.961 14.188 -3.287 1.00 0.00 N flip ATOM 0 H ASN A 131 2.773 12.932 1.114 1.00 0.00 H new ATOM 0 HA ASN A 131 1.945 13.959 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 131 4.334 13.942 -0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 131 4.320 12.194 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 131 3.462 14.968 -2.858 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.215 14.226 -4.274 1.00 0.00 H new ATOM 2018 N ASN A 132 0.553 11.555 -1.223 1.00 0.00 N ATOM 2019 CA ASN A 132 -0.101 10.343 -1.686 1.00 0.00 C ATOM 2020 C ASN A 132 -0.336 10.441 -3.195 1.00 0.00 C ATOM 2021 O ASN A 132 -0.598 11.523 -3.717 1.00 0.00 O ATOM 2022 CB ASN A 132 -1.459 10.156 -1.007 1.00 0.00 C ATOM 2023 CG ASN A 132 -2.011 8.752 -1.262 1.00 0.00 C ATOM 2024 OD1 ASN A 132 -1.490 7.987 -2.058 1.00 0.00 O ATOM 2025 ND2 ASN A 132 -3.091 8.456 -0.545 1.00 0.00 N ATOM 0 H ASN A 132 -0.046 12.186 -0.691 1.00 0.00 H new ATOM 0 HA ASN A 132 0.543 9.498 -1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -1.359 10.322 0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -2.162 10.900 -1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -3.534 7.543 -0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -3.476 9.142 0.104 1.00 0.00 H new ATOM 2032 N LEU A 133 -0.234 9.295 -3.853 1.00 0.00 N ATOM 2033 CA LEU A 133 -0.432 9.238 -5.291 1.00 0.00 C ATOM 2034 C LEU A 133 -1.693 8.426 -5.596 1.00 0.00 C ATOM 2035 O LEU A 133 -1.919 8.029 -6.738 1.00 0.00 O ATOM 2036 CB LEU A 133 0.824 8.706 -5.984 1.00 0.00 C ATOM 2037 CG LEU A 133 2.110 8.735 -5.156 1.00 0.00 C ATOM 2038 CD1 LEU A 133 3.230 7.963 -5.856 1.00 0.00 C ATOM 2039 CD2 LEU A 133 2.521 10.173 -4.832 1.00 0.00 C ATOM 0 H LEU A 133 -0.017 8.399 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.591 10.238 -5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.637 7.677 -6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.987 9.286 -6.892 1.00 0.00 H new ATOM 0 HG LEU A 133 1.917 8.234 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.133 7.999 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.926 6.925 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.430 8.414 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.438 10.165 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.690 10.721 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.728 10.659 -4.263 1.00 0.00 H new ATOM 2051 N SER A 134 -2.482 8.205 -4.554 1.00 0.00 N ATOM 2052 CA SER A 134 -3.714 7.448 -4.696 1.00 0.00 C ATOM 2053 C SER A 134 -4.889 8.400 -4.929 1.00 0.00 C ATOM 2054 O SER A 134 -6.022 7.959 -5.115 1.00 0.00 O ATOM 2055 CB SER A 134 -3.971 6.579 -3.464 1.00 0.00 C ATOM 2056 OG SER A 134 -4.969 7.139 -2.614 1.00 0.00 O ATOM 0 H SER A 134 -2.292 8.537 -3.608 1.00 0.00 H new ATOM 0 HA SER A 134 -3.613 6.788 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 134 -4.282 5.584 -3.781 1.00 0.00 H new ATOM 0 HB3 SER A 134 -3.043 6.460 -2.904 1.00 0.00 H new ATOM 0 HG SER A 134 -4.993 6.645 -1.768 1.00 0.00 H new