USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 722 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 13 THR OG1 : rot 150:sc= 0 USER MOD Set 1.2: A 99 GLN : amide:sc= -4.37! K(o=-4.4!,f=-0.3) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -30:sc= 1.02 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 25 ASN : amide:sc= -0.84 K(o=-0.84,f=-4.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 112:sc= -0.612 USER MOD Single : A 34 TYR OH : rot 91:sc= 1.13 USER MOD Single : A 35 SER OG : rot 170:sc= -0.879 USER MOD Single : A 36 SER OG : rot 105:sc= -1.33! USER MOD Single : A 37 GLN : amide:sc= -0.381 K(o=-0.38,f=-1.6) USER MOD Single : A 42 GLN : amide:sc= -0.797 K(o=-0.8,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 170:sc= -1.65! USER MOD Single : A 46 GLN : amide:sc= -2.47! K(o=-2.5!,f=-1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -162:sc= -2.04! USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0829 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0749 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -127:sc= -2.21 (180deg=-5.51!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl -123:sc= -1.01 (180deg=-3.65!) USER MOD Single : A 104 CYS SG : rot 59:sc= -0.0877 USER MOD Single : A 105 CYS SG : rot -124:sc= -0.417 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -4.054 7.852 -8.888 1.00 0.00 N ATOM 113 CA LYS A 9 -2.863 7.062 -8.599 1.00 0.00 C ATOM 114 C LYS A 9 -2.634 6.907 -7.096 1.00 0.00 C ATOM 115 O LYS A 9 -2.248 7.857 -6.405 1.00 0.00 O ATOM 116 CB LYS A 9 -1.631 7.702 -9.243 1.00 0.00 C ATOM 117 CG LYS A 9 -0.946 6.811 -10.265 1.00 0.00 C ATOM 118 CD LYS A 9 0.319 6.187 -9.699 1.00 0.00 C ATOM 119 CE LYS A 9 0.881 5.125 -10.631 1.00 0.00 C ATOM 120 NZ LYS A 9 2.277 4.754 -10.273 1.00 0.00 N ATOM 0 HA LYS A 9 -3.023 6.069 -9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.926 8.634 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.916 7.961 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.631 6.024 -10.581 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.700 7.395 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.067 6.963 -9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.104 5.743 -8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.249 4.238 -10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.855 5.492 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.623 4.028 -10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.886 5.595 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.299 4.380 -9.303 1.00 0.00 H new ATOM 134 N ALA A 10 -2.879 5.703 -6.593 1.00 0.00 N ATOM 135 CA ALA A 10 -2.699 5.418 -5.178 1.00 0.00 C ATOM 136 C ALA A 10 -1.229 5.157 -4.861 1.00 0.00 C ATOM 137 O ALA A 10 -0.760 4.025 -4.961 1.00 0.00 O ATOM 138 CB ALA A 10 -3.552 4.230 -4.764 1.00 0.00 C ATOM 0 H ALA A 10 -3.203 4.909 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.020 6.291 -4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.406 4.030 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.602 4.454 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.260 3.353 -5.342 1.00 0.00 H new ATOM 144 N ILE A 11 -0.503 6.210 -4.487 1.00 0.00 N ATOM 145 CA ILE A 11 0.915 6.079 -4.170 1.00 0.00 C ATOM 146 C ILE A 11 1.168 6.153 -2.666 1.00 0.00 C ATOM 147 O ILE A 11 0.936 7.183 -2.033 1.00 0.00 O ATOM 148 CB ILE A 11 1.750 7.170 -4.873 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.556 7.092 -6.389 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.223 7.031 -4.513 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.141 8.407 -7.015 1.00 0.00 C ATOM 0 H ILE A 11 -0.872 7.157 -4.397 1.00 0.00 H new ATOM 0 HA ILE A 11 1.223 5.098 -4.532 1.00 0.00 H new ATOM 0 HB ILE A 11 1.406 8.146 -4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.486 6.757 -6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.801 6.338 -6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.796 7.809 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.345 7.133 -3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.584 6.052 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.022 8.276 -8.091 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.195 8.734 -6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.907 9.159 -6.823 1.00 0.00 H new ATOM 163 N PHE A 12 1.663 5.052 -2.110 1.00 0.00 N ATOM 164 CA PHE A 12 1.977 4.975 -0.686 1.00 0.00 C ATOM 165 C PHE A 12 3.446 4.601 -0.501 1.00 0.00 C ATOM 166 O PHE A 12 3.859 3.499 -0.860 1.00 0.00 O ATOM 167 CB PHE A 12 1.088 3.934 0.001 1.00 0.00 C ATOM 168 CG PHE A 12 -0.293 4.426 0.328 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.324 4.282 -0.585 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.562 5.021 1.549 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.598 4.723 -0.285 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.833 5.467 1.855 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.855 5.316 0.934 1.00 0.00 C ATOM 0 H PHE A 12 1.857 4.195 -2.627 1.00 0.00 H new ATOM 0 HA PHE A 12 1.791 5.949 -0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.007 3.059 -0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.573 3.608 0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.130 3.820 -1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.232 5.138 2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.394 4.604 -1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.029 5.932 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.851 5.661 1.169 1.00 0.00 H new ATOM 183 N THR A 13 4.235 5.525 0.041 1.00 0.00 N ATOM 184 CA THR A 13 5.659 5.274 0.244 1.00 0.00 C ATOM 185 C THR A 13 5.980 4.915 1.687 1.00 0.00 C ATOM 186 O THR A 13 5.592 5.620 2.619 1.00 0.00 O ATOM 187 CB THR A 13 6.514 6.483 -0.167 1.00 0.00 C ATOM 188 OG1 THR A 13 6.092 6.973 -1.446 1.00 0.00 O ATOM 189 CG2 THR A 13 7.984 6.102 -0.224 1.00 0.00 C ATOM 0 H THR A 13 3.917 6.445 0.345 1.00 0.00 H new ATOM 0 HA THR A 13 5.903 4.424 -0.393 1.00 0.00 H new ATOM 0 HB THR A 13 6.383 7.267 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.254 7.938 -1.496 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.574 6.971 -0.517 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.309 5.757 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.125 5.305 -0.954 1.00 0.00 H new ATOM 197 N VAL A 14 6.690 3.804 1.857 1.00 0.00 N ATOM 198 CA VAL A 14 7.077 3.322 3.177 1.00 0.00 C ATOM 199 C VAL A 14 8.476 2.716 3.147 1.00 0.00 C ATOM 200 O VAL A 14 9.083 2.585 2.089 1.00 0.00 O ATOM 201 CB VAL A 14 6.092 2.252 3.688 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.667 2.633 3.343 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.426 0.884 3.109 1.00 0.00 C ATOM 0 H VAL A 14 7.011 3.216 1.088 1.00 0.00 H new ATOM 0 HA VAL A 14 7.062 4.181 3.848 1.00 0.00 H new ATOM 0 HB VAL A 14 6.187 2.198 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.986 1.866 3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.423 3.588 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.565 2.719 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.717 0.147 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.365 0.925 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.436 0.600 3.406 1.00 0.00 H new ATOM 213 N ASP A 15 8.961 2.320 4.316 1.00 0.00 N ATOM 214 CA ASP A 15 10.267 1.686 4.427 1.00 0.00 C ATOM 215 C ASP A 15 10.111 0.189 4.183 1.00 0.00 C ATOM 216 O ASP A 15 9.035 -0.362 4.393 1.00 0.00 O ATOM 217 CB ASP A 15 10.865 1.941 5.813 1.00 0.00 C ATOM 218 CG ASP A 15 12.158 1.183 6.045 1.00 0.00 C ATOM 219 OD1 ASP A 15 12.899 0.955 5.067 1.00 0.00 O ATOM 220 OD2 ASP A 15 12.431 0.820 7.209 1.00 0.00 O ATOM 0 H ASP A 15 8.468 2.427 5.203 1.00 0.00 H new ATOM 0 HA ASP A 15 10.943 2.108 3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.049 3.009 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.140 1.655 6.575 1.00 0.00 H new ATOM 225 N ALA A 16 11.163 -0.473 3.725 1.00 0.00 N ATOM 226 CA ALA A 16 11.079 -1.901 3.457 1.00 0.00 C ATOM 227 C ALA A 16 11.383 -2.717 4.700 1.00 0.00 C ATOM 228 O ALA A 16 10.963 -3.869 4.814 1.00 0.00 O ATOM 229 CB ALA A 16 12.010 -2.279 2.318 1.00 0.00 C ATOM 0 H ALA A 16 12.072 -0.052 3.533 1.00 0.00 H new ATOM 0 HA ALA A 16 10.056 -2.130 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.937 -3.350 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.727 -1.731 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.036 -2.028 2.588 1.00 0.00 H new ATOM 235 N LYS A 17 12.095 -2.115 5.637 1.00 0.00 N ATOM 236 CA LYS A 17 12.428 -2.798 6.874 1.00 0.00 C ATOM 237 C LYS A 17 11.174 -2.988 7.722 1.00 0.00 C ATOM 238 O LYS A 17 10.741 -4.114 7.968 1.00 0.00 O ATOM 239 CB LYS A 17 13.477 -2.008 7.655 1.00 0.00 C ATOM 240 CG LYS A 17 14.325 -2.866 8.578 1.00 0.00 C ATOM 241 CD LYS A 17 14.293 -2.347 10.007 1.00 0.00 C ATOM 242 CE LYS A 17 13.149 -2.961 10.796 1.00 0.00 C ATOM 243 NZ LYS A 17 13.529 -4.266 11.405 1.00 0.00 N ATOM 0 H LYS A 17 12.451 -1.162 5.566 1.00 0.00 H new ATOM 0 HA LYS A 17 12.842 -3.777 6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.130 -1.493 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.976 -1.241 8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.963 -3.894 8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.354 -2.882 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.239 -2.574 10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.190 -1.262 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.839 -2.271 11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.291 -3.104 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.721 -4.651 11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.801 -4.933 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.331 -4.127 12.052 1.00 0.00 H new ATOM 257 N THR A 18 10.618 -1.874 8.195 1.00 0.00 N ATOM 258 CA THR A 18 9.436 -1.937 9.048 1.00 0.00 C ATOM 259 C THR A 18 8.169 -1.386 8.407 1.00 0.00 C ATOM 260 O THR A 18 7.098 -1.451 9.011 1.00 0.00 O ATOM 261 CB THR A 18 9.673 -1.228 10.396 1.00 0.00 C ATOM 262 OG1 THR A 18 8.521 -1.365 11.235 1.00 0.00 O ATOM 263 CG2 THR A 18 9.980 0.248 10.183 1.00 0.00 C ATOM 0 H THR A 18 10.961 -0.932 8.005 1.00 0.00 H new ATOM 0 HA THR A 18 9.273 -3.003 9.209 1.00 0.00 H new ATOM 0 HB THR A 18 10.530 -1.696 10.881 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.717 -1.430 10.679 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.144 0.728 11.148 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.876 0.349 9.571 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.140 0.725 9.678 1.00 0.00 H new ATOM 271 N THR A 19 8.291 -0.834 7.209 1.00 0.00 N ATOM 272 CA THR A 19 7.145 -0.256 6.496 1.00 0.00 C ATOM 273 C THR A 19 6.861 1.164 6.990 1.00 0.00 C ATOM 274 O THR A 19 7.714 2.042 6.867 1.00 0.00 O ATOM 275 CB THR A 19 5.874 -1.127 6.632 1.00 0.00 C ATOM 276 OG1 THR A 19 6.222 -2.516 6.587 1.00 0.00 O ATOM 277 CG2 THR A 19 4.879 -0.815 5.525 1.00 0.00 C ATOM 0 H THR A 19 9.174 -0.771 6.702 1.00 0.00 H new ATOM 0 HA THR A 19 7.412 -0.222 5.440 1.00 0.00 H new ATOM 0 HB THR A 19 5.409 -0.899 7.591 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.411 -3.059 6.676 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.995 -1.441 5.644 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.591 0.235 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.338 -1.015 4.557 1.00 0.00 H new ATOM 285 N GLU A 20 5.668 1.390 7.545 1.00 0.00 N ATOM 286 CA GLU A 20 5.292 2.713 8.044 1.00 0.00 C ATOM 287 C GLU A 20 5.256 3.726 6.901 1.00 0.00 C ATOM 288 O GLU A 20 6.296 4.115 6.371 1.00 0.00 O ATOM 289 CB GLU A 20 6.267 3.179 9.129 1.00 0.00 C ATOM 290 CG GLU A 20 5.588 3.879 10.296 1.00 0.00 C ATOM 291 CD GLU A 20 6.250 3.571 11.626 1.00 0.00 C ATOM 292 OE1 GLU A 20 7.444 3.201 11.627 1.00 0.00 O ATOM 293 OE2 GLU A 20 5.575 3.701 12.670 1.00 0.00 O ATOM 0 H GLU A 20 4.949 0.676 7.660 1.00 0.00 H new ATOM 0 HA GLU A 20 4.296 2.641 8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.819 2.317 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.996 3.856 8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.603 4.956 10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.541 3.577 10.337 1.00 0.00 H new ATOM 300 N ILE A 21 4.052 4.140 6.521 1.00 0.00 N ATOM 301 CA ILE A 21 3.883 5.097 5.431 1.00 0.00 C ATOM 302 C ILE A 21 4.516 6.445 5.768 1.00 0.00 C ATOM 303 O ILE A 21 3.968 7.225 6.548 1.00 0.00 O ATOM 304 CB ILE A 21 2.397 5.306 5.073 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.562 4.083 5.471 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.254 5.574 3.583 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.565 4.361 6.575 1.00 0.00 C ATOM 0 H ILE A 21 3.180 3.829 6.950 1.00 0.00 H new ATOM 0 HA ILE A 21 4.392 4.670 4.567 1.00 0.00 H new ATOM 0 HB ILE A 21 2.027 6.168 5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.027 3.718 4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.232 3.285 5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.202 5.720 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.816 6.470 3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.642 4.724 3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.011 3.450 6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.094 4.697 7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.129 5.136 6.251 1.00 0.00 H new ATOM 319 N LEU A 22 5.676 6.706 5.169 1.00 0.00 N ATOM 320 CA LEU A 22 6.398 7.956 5.395 1.00 0.00 C ATOM 321 C LEU A 22 5.604 9.152 4.879 1.00 0.00 C ATOM 322 O LEU A 22 5.698 10.248 5.431 1.00 0.00 O ATOM 323 CB LEU A 22 7.771 7.920 4.713 1.00 0.00 C ATOM 324 CG LEU A 22 8.399 6.532 4.566 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.629 6.598 3.675 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.758 5.962 5.931 1.00 0.00 C ATOM 0 H LEU A 22 6.137 6.067 4.522 1.00 0.00 H new ATOM 0 HA LEU A 22 6.535 8.065 6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.676 8.363 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.455 8.551 5.280 1.00 0.00 H new ATOM 0 HG LEU A 22 7.670 5.870 4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.064 5.603 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.345 6.965 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.362 7.274 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.203 4.975 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.471 6.622 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.857 5.880 6.539 1.00 0.00 H new ATOM 338 N VAL A 23 4.827 8.936 3.818 1.00 0.00 N ATOM 339 CA VAL A 23 4.020 10.003 3.229 1.00 0.00 C ATOM 340 C VAL A 23 3.147 9.467 2.093 1.00 0.00 C ATOM 341 O VAL A 23 3.514 8.510 1.412 1.00 0.00 O ATOM 342 CB VAL A 23 4.917 11.157 2.707 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.608 11.504 1.255 1.00 0.00 C ATOM 344 CG2 VAL A 23 4.767 12.386 3.592 1.00 0.00 C ATOM 0 H VAL A 23 4.740 8.034 3.350 1.00 0.00 H new ATOM 0 HA VAL A 23 3.371 10.394 4.013 1.00 0.00 H new ATOM 0 HB VAL A 23 5.951 10.814 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.258 12.316 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.778 10.629 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.567 11.815 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.402 13.187 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.727 12.714 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.064 12.139 4.611 1.00 0.00 H new ATOM 354 N ALA A 24 1.995 10.103 1.889 1.00 0.00 N ATOM 355 CA ALA A 24 1.073 9.704 0.830 1.00 0.00 C ATOM 356 C ALA A 24 0.496 10.932 0.134 1.00 0.00 C ATOM 357 O ALA A 24 0.510 12.032 0.687 1.00 0.00 O ATOM 358 CB ALA A 24 -0.038 8.830 1.384 1.00 0.00 C ATOM 0 H ALA A 24 1.678 10.898 2.444 1.00 0.00 H new ATOM 0 HA ALA A 24 1.628 9.121 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.713 8.545 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.393 7.934 1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.592 9.383 2.142 1.00 0.00 H new ATOM 364 N ASN A 25 0.013 10.749 -1.090 1.00 0.00 N ATOM 365 CA ASN A 25 -0.539 11.859 -1.860 1.00 0.00 C ATOM 366 C ASN A 25 -2.065 11.888 -1.833 1.00 0.00 C ATOM 367 O ASN A 25 -2.709 11.050 -1.200 1.00 0.00 O ATOM 368 CB ASN A 25 -0.049 11.783 -3.306 1.00 0.00 C ATOM 369 CG ASN A 25 -0.700 10.652 -4.084 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.754 9.509 -3.623 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.202 10.966 -5.272 1.00 0.00 N ATOM 0 H ASN A 25 -0.008 9.848 -1.569 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.189 12.780 -1.394 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.256 12.729 -3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.033 11.648 -3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.653 10.249 -5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.136 11.924 -5.616 1.00 0.00 H new ATOM 378 N ASP A 26 -2.624 12.870 -2.534 1.00 0.00 N ATOM 379 CA ASP A 26 -4.071 13.035 -2.609 1.00 0.00 C ATOM 380 C ASP A 26 -4.710 11.798 -3.217 1.00 0.00 C ATOM 381 O ASP A 26 -5.397 11.059 -2.523 1.00 0.00 O ATOM 382 CB ASP A 26 -4.429 14.276 -3.427 1.00 0.00 C ATOM 383 CG ASP A 26 -4.400 15.542 -2.595 1.00 0.00 C ATOM 384 OD1 ASP A 26 -3.419 15.739 -1.846 1.00 0.00 O ATOM 385 OD2 ASP A 26 -5.357 16.340 -2.693 1.00 0.00 O ATOM 0 H ASP A 26 -2.094 13.565 -3.060 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.457 13.167 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.731 14.374 -4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.422 14.150 -3.858 1.00 0.00 H new ATOM 390 N LYS A 27 -4.485 11.590 -4.515 1.00 0.00 N ATOM 391 CA LYS A 27 -5.048 10.441 -5.228 1.00 0.00 C ATOM 392 C LYS A 27 -5.166 9.227 -4.309 1.00 0.00 C ATOM 393 O LYS A 27 -6.273 8.814 -3.966 1.00 0.00 O ATOM 394 CB LYS A 27 -4.182 10.105 -6.443 1.00 0.00 C ATOM 395 CG LYS A 27 -3.651 11.333 -7.169 1.00 0.00 C ATOM 396 CD LYS A 27 -4.528 11.710 -8.352 1.00 0.00 C ATOM 397 CE LYS A 27 -5.792 12.430 -7.910 1.00 0.00 C ATOM 398 NZ LYS A 27 -5.547 13.877 -7.658 1.00 0.00 N ATOM 0 H LYS A 27 -3.915 12.204 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.050 10.705 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.341 9.491 -6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.766 9.505 -7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.597 12.171 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.636 11.140 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.965 12.348 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.797 10.811 -8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.559 12.320 -8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.177 11.964 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.433 14.332 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.833 13.983 -6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.204 14.328 -8.530 1.00 0.00 H new ATOM 412 N ALA A 28 -4.025 8.673 -3.899 1.00 0.00 N ATOM 413 CA ALA A 28 -4.014 7.521 -2.996 1.00 0.00 C ATOM 414 C ALA A 28 -4.985 7.717 -1.831 1.00 0.00 C ATOM 415 O ALA A 28 -5.870 6.892 -1.592 1.00 0.00 O ATOM 416 CB ALA A 28 -2.608 7.289 -2.467 1.00 0.00 C ATOM 0 H ALA A 28 -3.100 9.001 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.338 6.647 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.609 6.430 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.933 7.097 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.273 8.173 -1.924 1.00 0.00 H new ATOM 422 N CYS A 29 -4.807 8.819 -1.109 1.00 0.00 N ATOM 423 CA CYS A 29 -5.658 9.141 0.031 1.00 0.00 C ATOM 424 C CYS A 29 -7.128 9.127 -0.372 1.00 0.00 C ATOM 425 O CYS A 29 -7.987 8.693 0.396 1.00 0.00 O ATOM 426 CB CYS A 29 -5.270 10.509 0.595 1.00 0.00 C ATOM 427 SG CYS A 29 -6.463 11.826 0.255 1.00 0.00 S ATOM 0 H CYS A 29 -4.077 9.507 -1.295 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.513 8.384 0.802 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.143 10.420 1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.303 10.797 0.183 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.027 12.198 1.366 1.00 0.00 H new ATOM 433 N GLY A 30 -7.406 9.589 -1.587 1.00 0.00 N ATOM 434 CA GLY A 30 -8.770 9.605 -2.080 1.00 0.00 C ATOM 435 C GLY A 30 -9.326 8.204 -2.189 1.00 0.00 C ATOM 436 O GLY A 30 -10.499 7.966 -1.900 1.00 0.00 O ATOM 0 H GLY A 30 -6.711 9.953 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.395 10.196 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.801 10.089 -3.056 1.00 0.00 H new ATOM 440 N LEU A 31 -8.465 7.275 -2.594 1.00 0.00 N ATOM 441 CA LEU A 31 -8.846 5.876 -2.730 1.00 0.00 C ATOM 442 C LEU A 31 -9.522 5.398 -1.445 1.00 0.00 C ATOM 443 O LEU A 31 -10.672 4.957 -1.471 1.00 0.00 O ATOM 444 CB LEU A 31 -7.602 5.032 -3.061 1.00 0.00 C ATOM 445 CG LEU A 31 -7.781 3.507 -3.110 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.361 2.892 -1.787 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.209 3.113 -3.464 1.00 0.00 C ATOM 0 H LEU A 31 -7.493 7.469 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.559 5.763 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.220 5.359 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.834 5.258 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.139 3.119 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.491 1.811 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.314 3.124 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.976 3.299 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.291 2.026 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.893 3.512 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.466 3.518 -4.443 1.00 0.00 H new ATOM 459 N LEU A 32 -8.821 5.518 -0.317 1.00 0.00 N ATOM 460 CA LEU A 32 -9.403 5.117 0.964 1.00 0.00 C ATOM 461 C LEU A 32 -10.116 6.295 1.621 1.00 0.00 C ATOM 462 O LEU A 32 -11.344 6.368 1.619 1.00 0.00 O ATOM 463 CB LEU A 32 -8.364 4.545 1.937 1.00 0.00 C ATOM 464 CG LEU A 32 -6.903 4.577 1.489 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.374 6.004 1.466 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.068 3.713 2.424 1.00 0.00 C ATOM 0 H LEU A 32 -7.870 5.882 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.118 4.325 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.442 5.092 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.631 3.509 2.148 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.835 4.181 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.333 6.001 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.966 6.601 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.444 6.434 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.026 3.735 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.145 4.098 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.435 2.687 2.396 1.00 0.00 H new ATOM 478 N GLY A 33 -9.336 7.211 2.184 1.00 0.00 N ATOM 479 CA GLY A 33 -9.903 8.372 2.841 1.00 0.00 C ATOM 480 C GLY A 33 -8.950 8.972 3.854 1.00 0.00 C ATOM 481 O GLY A 33 -9.372 9.585 4.834 1.00 0.00 O ATOM 0 H GLY A 33 -8.317 7.169 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.158 9.123 2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.831 8.090 3.339 1.00 0.00 H new ATOM 485 N TYR A 34 -7.657 8.786 3.611 1.00 0.00 N ATOM 486 CA TYR A 34 -6.624 9.303 4.500 1.00 0.00 C ATOM 487 C TYR A 34 -5.918 10.498 3.864 1.00 0.00 C ATOM 488 O TYR A 34 -6.531 11.266 3.124 1.00 0.00 O ATOM 489 CB TYR A 34 -5.603 8.203 4.804 1.00 0.00 C ATOM 490 CG TYR A 34 -6.098 7.151 5.769 1.00 0.00 C ATOM 491 CD1 TYR A 34 -7.078 6.243 5.394 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.579 7.063 7.053 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.532 5.281 6.273 1.00 0.00 C ATOM 494 CE2 TYR A 34 -6.028 6.102 7.939 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.003 5.212 7.543 1.00 0.00 C ATOM 496 OH TYR A 34 -7.453 4.256 8.425 1.00 0.00 O ATOM 0 H TYR A 34 -7.299 8.279 2.802 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.095 9.628 5.428 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.318 7.719 3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.703 8.661 5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.492 6.290 4.398 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.812 7.756 7.365 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.299 4.585 5.966 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.617 6.049 8.936 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.902 3.450 8.343 1.00 0.00 H new ATOM 506 N SER A 35 -4.623 10.631 4.152 1.00 0.00 N ATOM 507 CA SER A 35 -3.801 11.706 3.607 1.00 0.00 C ATOM 508 C SER A 35 -2.425 11.702 4.257 1.00 0.00 C ATOM 509 O SER A 35 -2.232 11.107 5.315 1.00 0.00 O ATOM 510 CB SER A 35 -4.455 13.071 3.792 1.00 0.00 C ATOM 511 OG SER A 35 -4.669 13.360 5.162 1.00 0.00 O ATOM 0 H SER A 35 -4.117 9.996 4.769 1.00 0.00 H new ATOM 0 HA SER A 35 -3.699 11.525 2.537 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.823 13.842 3.350 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.406 13.095 3.260 1.00 0.00 H new ATOM 0 HG SER A 35 -4.937 14.297 5.261 1.00 0.00 H new ATOM 517 N SER A 36 -1.474 12.358 3.610 1.00 0.00 N ATOM 518 CA SER A 36 -0.105 12.427 4.112 1.00 0.00 C ATOM 519 C SER A 36 -0.051 12.812 5.590 1.00 0.00 C ATOM 520 O SER A 36 0.862 12.410 6.308 1.00 0.00 O ATOM 521 CB SER A 36 0.700 13.436 3.293 1.00 0.00 C ATOM 522 OG SER A 36 1.899 12.859 2.806 1.00 0.00 O ATOM 0 H SER A 36 -1.624 12.854 2.731 1.00 0.00 H new ATOM 0 HA SER A 36 0.328 11.432 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.099 13.792 2.457 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.935 14.304 3.909 1.00 0.00 H new ATOM 0 HG SER A 36 1.804 12.665 1.850 1.00 0.00 H new ATOM 528 N GLN A 37 -1.016 13.610 6.036 1.00 0.00 N ATOM 529 CA GLN A 37 -1.048 14.065 7.426 1.00 0.00 C ATOM 530 C GLN A 37 -2.025 13.263 8.287 1.00 0.00 C ATOM 531 O GLN A 37 -2.042 13.414 9.509 1.00 0.00 O ATOM 532 CB GLN A 37 -1.414 15.549 7.483 1.00 0.00 C ATOM 533 CG GLN A 37 -2.515 15.943 6.511 1.00 0.00 C ATOM 534 CD GLN A 37 -1.970 16.469 5.197 1.00 0.00 C ATOM 535 OE1 GLN A 37 -2.276 15.939 4.128 1.00 0.00 O ATOM 536 NE2 GLN A 37 -1.157 17.516 5.270 1.00 0.00 N ATOM 0 H GLN A 37 -1.784 13.955 5.460 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.050 13.908 7.834 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.729 15.798 8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.524 16.142 7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.150 15.079 6.317 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.145 16.705 6.970 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.930 17.924 6.177 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.759 17.913 4.419 1.00 0.00 H new ATOM 545 N ASP A 38 -2.852 12.433 7.659 1.00 0.00 N ATOM 546 CA ASP A 38 -3.838 11.648 8.400 1.00 0.00 C ATOM 547 C ASP A 38 -3.534 10.153 8.374 1.00 0.00 C ATOM 548 O ASP A 38 -4.254 9.361 8.983 1.00 0.00 O ATOM 549 CB ASP A 38 -5.233 11.887 7.826 1.00 0.00 C ATOM 550 CG ASP A 38 -5.805 13.231 8.237 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.259 14.265 7.801 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.799 13.247 8.992 1.00 0.00 O ATOM 0 H ASP A 38 -2.861 12.286 6.650 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.792 11.978 9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.190 11.831 6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.901 11.093 8.160 1.00 0.00 H new ATOM 557 N LEU A 39 -2.485 9.762 7.664 1.00 0.00 N ATOM 558 CA LEU A 39 -2.129 8.349 7.572 1.00 0.00 C ATOM 559 C LEU A 39 -0.656 8.110 7.892 1.00 0.00 C ATOM 560 O LEU A 39 -0.239 6.971 8.110 1.00 0.00 O ATOM 561 CB LEU A 39 -2.472 7.810 6.181 1.00 0.00 C ATOM 562 CG LEU A 39 -1.554 8.268 5.046 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.423 7.272 4.835 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.349 8.443 3.761 1.00 0.00 C ATOM 0 H LEU A 39 -1.871 10.393 7.148 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.713 7.810 8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.456 6.721 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.493 8.105 5.939 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.119 9.229 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.218 7.616 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.163 7.188 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.839 6.297 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.683 8.769 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.808 7.494 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.126 9.192 3.913 1.00 0.00 H new ATOM 576 N ILE A 40 0.131 9.179 7.922 1.00 0.00 N ATOM 577 CA ILE A 40 1.553 9.064 8.217 1.00 0.00 C ATOM 578 C ILE A 40 1.778 8.606 9.658 1.00 0.00 C ATOM 579 O ILE A 40 1.106 9.065 10.582 1.00 0.00 O ATOM 580 CB ILE A 40 2.290 10.400 7.966 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.788 10.155 7.733 1.00 0.00 C ATOM 582 CG2 ILE A 40 2.062 11.380 9.111 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.593 9.953 9.000 1.00 0.00 C ATOM 0 H ILE A 40 -0.190 10.131 7.746 1.00 0.00 H new ATOM 0 HA ILE A 40 1.964 8.313 7.542 1.00 0.00 H new ATOM 0 HB ILE A 40 1.876 10.851 7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.906 9.277 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.201 11.002 7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.593 12.310 8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.996 11.585 9.208 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.434 10.947 10.040 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.639 9.787 8.744 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.510 10.839 9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.210 9.087 9.540 1.00 0.00 H new ATOM 595 N GLY A 41 2.726 7.689 9.841 1.00 0.00 N ATOM 596 CA GLY A 41 3.022 7.179 11.167 1.00 0.00 C ATOM 597 C GLY A 41 2.553 5.749 11.361 1.00 0.00 C ATOM 598 O GLY A 41 3.125 5.007 12.159 1.00 0.00 O ATOM 0 H GLY A 41 3.294 7.291 9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.097 7.232 11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.547 7.817 11.912 1.00 0.00 H new ATOM 602 N GLN A 42 1.511 5.366 10.634 1.00 0.00 N ATOM 603 CA GLN A 42 0.967 4.013 10.735 1.00 0.00 C ATOM 604 C GLN A 42 1.433 3.151 9.565 1.00 0.00 C ATOM 605 O GLN A 42 2.381 3.503 8.863 1.00 0.00 O ATOM 606 CB GLN A 42 -0.564 4.060 10.776 1.00 0.00 C ATOM 607 CG GLN A 42 -1.117 5.285 11.483 1.00 0.00 C ATOM 608 CD GLN A 42 -2.562 5.566 11.118 1.00 0.00 C ATOM 609 OE1 GLN A 42 -3.462 5.448 11.950 1.00 0.00 O ATOM 610 NE2 GLN A 42 -2.794 5.942 9.864 1.00 0.00 N ATOM 0 H GLN A 42 1.025 5.969 9.970 1.00 0.00 H new ATOM 0 HA GLN A 42 1.334 3.566 11.659 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.947 4.036 9.756 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.933 3.165 11.276 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.039 5.144 12.561 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.507 6.152 11.230 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.020 6.028 9.206 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.746 6.145 9.560 1.00 0.00 H new ATOM 619 N LYS A 43 0.759 2.024 9.361 1.00 0.00 N ATOM 620 CA LYS A 43 1.098 1.112 8.275 1.00 0.00 C ATOM 621 C LYS A 43 -0.058 1.000 7.288 1.00 0.00 C ATOM 622 O LYS A 43 -1.188 0.715 7.678 1.00 0.00 O ATOM 623 CB LYS A 43 1.449 -0.268 8.832 1.00 0.00 C ATOM 624 CG LYS A 43 2.867 -0.358 9.371 1.00 0.00 C ATOM 625 CD LYS A 43 2.909 -0.118 10.872 1.00 0.00 C ATOM 626 CE LYS A 43 3.662 -1.224 11.594 1.00 0.00 C ATOM 627 NZ LYS A 43 4.085 -0.809 12.961 1.00 0.00 N ATOM 0 H LYS A 43 -0.027 1.720 9.935 1.00 0.00 H new ATOM 0 HA LYS A 43 1.965 1.511 7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.749 -0.519 9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.319 -1.013 8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.281 -1.341 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.496 0.375 8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.387 0.841 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.892 -0.056 11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.029 -2.109 11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.540 -1.505 11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.595 -1.591 13.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.710 0.020 12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.246 -0.565 13.525 1.00 0.00 H new ATOM 641 N LEU A 44 0.229 1.259 6.014 1.00 0.00 N ATOM 642 CA LEU A 44 -0.792 1.214 4.968 1.00 0.00 C ATOM 643 C LEU A 44 -1.645 -0.050 5.040 1.00 0.00 C ATOM 644 O LEU A 44 -2.859 0.015 4.888 1.00 0.00 O ATOM 645 CB LEU A 44 -0.153 1.325 3.579 1.00 0.00 C ATOM 646 CG LEU A 44 1.288 0.820 3.467 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.326 -0.700 3.430 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.943 1.396 2.228 1.00 0.00 C ATOM 0 H LEU A 44 1.162 1.503 5.680 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.448 2.068 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.769 0.770 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.177 2.370 3.271 1.00 0.00 H new ATOM 0 HG LEU A 44 1.841 1.151 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.360 -1.036 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.885 -1.097 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.761 -1.057 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.968 1.032 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.385 1.087 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.948 2.484 2.292 1.00 0.00 H new ATOM 660 N THR A 45 -1.003 -1.193 5.251 1.00 0.00 N ATOM 661 CA THR A 45 -1.705 -2.474 5.317 1.00 0.00 C ATOM 662 C THR A 45 -2.867 -2.458 6.303 1.00 0.00 C ATOM 663 O THR A 45 -3.781 -3.277 6.207 1.00 0.00 O ATOM 664 CB THR A 45 -0.745 -3.609 5.688 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.228 -3.409 7.010 1.00 0.00 O ATOM 666 CG2 THR A 45 0.395 -3.665 4.692 1.00 0.00 C ATOM 0 H THR A 45 0.007 -1.261 5.380 1.00 0.00 H new ATOM 0 HA THR A 45 -2.111 -2.646 4.320 1.00 0.00 H new ATOM 0 HB THR A 45 -1.290 -4.553 5.663 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.252 -4.213 7.298 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.074 -4.474 4.961 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.003 -3.843 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.935 -2.719 4.704 1.00 0.00 H new ATOM 674 N GLN A 46 -2.836 -1.522 7.242 1.00 0.00 N ATOM 675 CA GLN A 46 -3.899 -1.413 8.230 1.00 0.00 C ATOM 676 C GLN A 46 -5.219 -1.105 7.539 1.00 0.00 C ATOM 677 O GLN A 46 -6.295 -1.323 8.091 1.00 0.00 O ATOM 678 CB GLN A 46 -3.575 -0.326 9.255 1.00 0.00 C ATOM 679 CG GLN A 46 -2.802 -0.837 10.460 1.00 0.00 C ATOM 680 CD GLN A 46 -2.756 0.169 11.593 1.00 0.00 C ATOM 681 OE1 GLN A 46 -3.193 -0.112 12.708 1.00 0.00 O ATOM 682 NE2 GLN A 46 -2.226 1.354 11.308 1.00 0.00 N ATOM 0 H GLN A 46 -2.091 -0.832 7.340 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.984 -2.365 8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.996 0.459 8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.505 0.129 9.596 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.260 -1.759 10.817 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.785 -1.083 10.156 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.876 1.543 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.170 2.074 12.028 1.00 0.00 H new ATOM 691 N PHE A 47 -5.114 -0.569 6.330 1.00 0.00 N ATOM 692 CA PHE A 47 -6.285 -0.193 5.550 1.00 0.00 C ATOM 693 C PHE A 47 -6.402 -1.031 4.276 1.00 0.00 C ATOM 694 O PHE A 47 -6.633 -0.495 3.191 1.00 0.00 O ATOM 695 CB PHE A 47 -6.215 1.295 5.195 1.00 0.00 C ATOM 696 CG PHE A 47 -5.210 2.065 6.010 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.370 2.215 7.380 1.00 0.00 C ATOM 698 CD2 PHE A 47 -4.101 2.634 5.404 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.442 2.916 8.126 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.170 3.335 6.147 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.340 3.477 7.509 1.00 0.00 C ATOM 0 H PHE A 47 -4.224 -0.384 5.867 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.171 -0.383 6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.967 1.396 4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.200 1.740 5.335 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.229 1.779 7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.963 2.528 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.578 3.026 9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.310 3.772 5.662 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.614 4.025 8.091 1.00 0.00 H new ATOM 711 N PHE A 48 -6.255 -2.347 4.416 1.00 0.00 N ATOM 712 CA PHE A 48 -6.360 -3.258 3.278 1.00 0.00 C ATOM 713 C PHE A 48 -6.951 -4.594 3.716 1.00 0.00 C ATOM 714 O PHE A 48 -7.411 -4.729 4.851 1.00 0.00 O ATOM 715 CB PHE A 48 -4.995 -3.461 2.616 1.00 0.00 C ATOM 716 CG PHE A 48 -4.471 -2.216 1.959 1.00 0.00 C ATOM 717 CD1 PHE A 48 -4.984 -1.789 0.748 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.470 -1.469 2.554 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.511 -0.642 0.144 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.991 -0.321 1.953 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.513 0.094 0.746 1.00 0.00 C ATOM 0 H PHE A 48 -6.063 -2.806 5.306 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.029 -2.811 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.280 -3.798 3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.073 -4.253 1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.765 -2.361 0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.058 -1.787 3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.923 -0.321 -0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.208 0.251 2.428 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.142 0.992 0.274 1.00 0.00 H new ATOM 731 N LEU A 49 -6.948 -5.565 2.807 1.00 0.00 N ATOM 732 CA LEU A 49 -7.498 -6.894 3.088 1.00 0.00 C ATOM 733 C LEU A 49 -7.148 -7.359 4.502 1.00 0.00 C ATOM 734 O LEU A 49 -5.976 -7.470 4.858 1.00 0.00 O ATOM 735 CB LEU A 49 -7.015 -7.936 2.061 1.00 0.00 C ATOM 736 CG LEU A 49 -5.679 -7.653 1.353 1.00 0.00 C ATOM 737 CD1 LEU A 49 -5.856 -6.611 0.261 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.604 -7.219 2.341 1.00 0.00 C ATOM 0 H LEU A 49 -6.570 -5.459 1.866 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.582 -6.807 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.933 -8.898 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.786 -8.042 1.298 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.349 -8.583 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.898 -6.427 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.573 -6.974 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.224 -5.683 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.674 -7.028 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.923 -6.310 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.444 -8.009 3.075 1.00 0.00 H new ATOM 750 N ARG A 50 -8.180 -7.620 5.299 1.00 0.00 N ATOM 751 CA ARG A 50 -8.000 -8.069 6.677 1.00 0.00 C ATOM 752 C ARG A 50 -7.038 -7.154 7.428 1.00 0.00 C ATOM 753 O ARG A 50 -5.832 -7.401 7.475 1.00 0.00 O ATOM 754 CB ARG A 50 -7.491 -9.510 6.710 1.00 0.00 C ATOM 755 CG ARG A 50 -7.674 -10.183 8.059 1.00 0.00 C ATOM 756 CD ARG A 50 -7.455 -11.683 7.964 1.00 0.00 C ATOM 757 NE ARG A 50 -8.712 -12.411 7.805 1.00 0.00 N ATOM 758 CZ ARG A 50 -8.920 -13.326 6.865 1.00 0.00 C ATOM 759 NH1 ARG A 50 -7.960 -13.626 6.000 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.092 -13.943 6.787 1.00 0.00 N ATOM 0 H ARG A 50 -9.155 -7.528 5.013 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.970 -8.028 7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.014 -10.090 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.433 -9.520 6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.975 -9.756 8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.678 -9.983 8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.801 -11.901 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.945 -12.032 8.862 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.473 -12.205 8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.058 -13.153 6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.124 -14.329 5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.834 -13.715 7.449 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.251 -14.646 6.065 1.00 0.00 H new ATOM 774 N SER A 51 -7.582 -6.094 8.006 1.00 0.00 N ATOM 775 CA SER A 51 -6.789 -5.122 8.749 1.00 0.00 C ATOM 776 C SER A 51 -6.298 -5.685 10.082 1.00 0.00 C ATOM 777 O SER A 51 -5.588 -5.005 10.821 1.00 0.00 O ATOM 778 CB SER A 51 -7.610 -3.858 8.994 1.00 0.00 C ATOM 779 OG SER A 51 -8.803 -4.152 9.700 1.00 0.00 O ATOM 0 H SER A 51 -8.579 -5.882 7.975 1.00 0.00 H new ATOM 0 HA SER A 51 -5.913 -4.883 8.146 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.017 -3.140 9.560 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.854 -3.389 8.041 1.00 0.00 H new ATOM 0 HG SER A 51 -9.309 -3.326 9.845 1.00 0.00 H new ATOM 785 N ASP A 52 -6.701 -6.912 10.408 1.00 0.00 N ATOM 786 CA ASP A 52 -6.312 -7.518 11.677 1.00 0.00 C ATOM 787 C ASP A 52 -4.999 -8.303 11.594 1.00 0.00 C ATOM 788 O ASP A 52 -3.983 -7.879 12.144 1.00 0.00 O ATOM 789 CB ASP A 52 -7.428 -8.437 12.177 1.00 0.00 C ATOM 790 CG ASP A 52 -8.454 -7.699 13.017 1.00 0.00 C ATOM 791 OD1 ASP A 52 -8.934 -6.637 12.566 1.00 0.00 O ATOM 792 OD2 ASP A 52 -8.776 -8.183 14.121 1.00 0.00 O ATOM 0 H ASP A 52 -7.290 -7.499 9.818 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.149 -6.699 12.378 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.925 -8.898 11.323 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.993 -9.244 12.766 1.00 0.00 H new ATOM 797 N SER A 53 -5.031 -9.465 10.944 1.00 0.00 N ATOM 798 CA SER A 53 -3.843 -10.319 10.842 1.00 0.00 C ATOM 799 C SER A 53 -3.036 -10.088 9.562 1.00 0.00 C ATOM 800 O SER A 53 -1.806 -10.116 9.590 1.00 0.00 O ATOM 801 CB SER A 53 -4.248 -11.790 10.933 1.00 0.00 C ATOM 802 OG SER A 53 -5.146 -12.137 9.894 1.00 0.00 O ATOM 0 H SER A 53 -5.860 -9.838 10.482 1.00 0.00 H new ATOM 0 HA SER A 53 -3.196 -10.048 11.677 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.360 -12.419 10.875 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.713 -11.983 11.900 1.00 0.00 H new ATOM 0 HG SER A 53 -5.607 -12.970 10.125 1.00 0.00 H new ATOM 808 N ASP A 54 -3.725 -9.902 8.442 1.00 0.00 N ATOM 809 CA ASP A 54 -3.058 -9.710 7.152 1.00 0.00 C ATOM 810 C ASP A 54 -2.056 -8.560 7.177 1.00 0.00 C ATOM 811 O ASP A 54 -1.159 -8.499 6.336 1.00 0.00 O ATOM 812 CB ASP A 54 -4.090 -9.470 6.053 1.00 0.00 C ATOM 813 CG ASP A 54 -4.367 -10.719 5.238 1.00 0.00 C ATOM 814 OD1 ASP A 54 -3.658 -10.942 4.235 1.00 0.00 O ATOM 815 OD2 ASP A 54 -5.291 -11.475 5.604 1.00 0.00 O ATOM 0 H ASP A 54 -4.744 -9.879 8.397 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.502 -10.624 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.019 -9.118 6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.736 -8.679 5.392 1.00 0.00 H new ATOM 820 N VAL A 55 -2.202 -7.650 8.131 1.00 0.00 N ATOM 821 CA VAL A 55 -1.294 -6.511 8.231 1.00 0.00 C ATOM 822 C VAL A 55 -0.077 -6.849 9.085 1.00 0.00 C ATOM 823 O VAL A 55 0.959 -6.190 9.000 1.00 0.00 O ATOM 824 CB VAL A 55 -2.007 -5.268 8.808 1.00 0.00 C ATOM 825 CG1 VAL A 55 -3.485 -5.295 8.455 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.818 -5.170 10.316 1.00 0.00 C ATOM 0 H VAL A 55 -2.933 -7.676 8.842 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.960 -6.280 7.219 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.555 -4.383 8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.974 -4.413 8.868 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.600 -5.299 7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.942 -6.192 8.872 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.332 -4.285 10.690 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.232 -6.059 10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.755 -5.097 10.545 1.00 0.00 H new ATOM 836 N VAL A 56 -0.210 -7.883 9.908 1.00 0.00 N ATOM 837 CA VAL A 56 0.876 -8.313 10.779 1.00 0.00 C ATOM 838 C VAL A 56 1.756 -9.356 10.097 1.00 0.00 C ATOM 839 O VAL A 56 2.923 -9.517 10.447 1.00 0.00 O ATOM 840 CB VAL A 56 0.338 -8.898 12.101 1.00 0.00 C ATOM 841 CG1 VAL A 56 1.433 -8.928 13.158 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.862 -8.101 12.591 1.00 0.00 C ATOM 0 H VAL A 56 -1.061 -8.439 9.990 1.00 0.00 H new ATOM 0 HA VAL A 56 1.473 -7.427 10.996 1.00 0.00 H new ATOM 0 HB VAL A 56 0.014 -9.922 11.916 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.034 -9.344 14.083 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.259 -9.547 12.808 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.791 -7.915 13.340 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.227 -8.529 13.525 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.567 -7.065 12.758 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.653 -8.137 11.842 1.00 0.00 H new ATOM 852 N GLU A 57 1.189 -10.061 9.122 1.00 0.00 N ATOM 853 CA GLU A 57 1.927 -11.088 8.392 1.00 0.00 C ATOM 854 C GLU A 57 2.620 -10.500 7.167 1.00 0.00 C ATOM 855 O GLU A 57 3.731 -10.901 6.813 1.00 0.00 O ATOM 856 CB GLU A 57 0.988 -12.218 7.967 1.00 0.00 C ATOM 857 CG GLU A 57 -0.188 -11.747 7.126 1.00 0.00 C ATOM 858 CD GLU A 57 -1.300 -12.775 7.056 1.00 0.00 C ATOM 859 OE1 GLU A 57 -1.571 -13.429 8.085 1.00 0.00 O ATOM 860 OE2 GLU A 57 -1.903 -12.926 5.971 1.00 0.00 O ATOM 0 H GLU A 57 0.222 -9.940 8.819 1.00 0.00 H new ATOM 0 HA GLU A 57 2.690 -11.490 9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.555 -12.958 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.609 -12.719 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.581 -10.820 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.158 -11.521 6.117 1.00 0.00 H new ATOM 867 N ALA A 58 1.950 -9.553 6.515 1.00 0.00 N ATOM 868 CA ALA A 58 2.487 -8.913 5.319 1.00 0.00 C ATOM 869 C ALA A 58 3.795 -8.183 5.600 1.00 0.00 C ATOM 870 O ALA A 58 4.751 -8.289 4.832 1.00 0.00 O ATOM 871 CB ALA A 58 1.464 -7.949 4.735 1.00 0.00 C ATOM 0 H ALA A 58 1.031 -9.212 6.797 1.00 0.00 H new ATOM 0 HA ALA A 58 2.699 -9.699 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.876 -7.477 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.558 -8.495 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.224 -7.183 5.472 1.00 0.00 H new ATOM 1086 N PHE A 74 -0.061 -9.100 -0.669 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.252 -7.656 -0.775 1.00 0.00 C ATOM 1088 C PHE A 74 0.564 -7.098 -1.941 1.00 0.00 C ATOM 1089 O PHE A 74 0.833 -5.901 -2.017 1.00 0.00 O ATOM 1090 CB PHE A 74 0.134 -6.960 0.538 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.294 -5.516 0.614 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.587 -5.131 0.273 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.606 -4.539 1.020 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -1.965 -3.804 0.338 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.228 -3.213 1.081 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.056 -2.845 0.739 1.00 0.00 C ATOM 0 HA PHE A 74 -1.307 -7.460 -0.965 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.311 -7.505 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.215 -7.015 0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.301 -5.876 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.613 -4.820 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.972 -3.516 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.938 -2.463 1.397 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.351 -1.807 0.785 1.00 0.00 H new ATOM 1106 N GLY A 75 0.940 -7.988 -2.857 1.00 0.00 N ATOM 1107 CA GLY A 75 1.705 -7.587 -4.028 1.00 0.00 C ATOM 1108 C GLY A 75 1.028 -8.040 -5.306 1.00 0.00 C ATOM 1109 O GLY A 75 1.679 -8.260 -6.327 1.00 0.00 O ATOM 0 H GLY A 75 0.728 -8.984 -2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.818 -6.503 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.707 -8.012 -3.974 1.00 0.00 H new ATOM 1113 N THR A 76 -0.290 -8.181 -5.230 1.00 0.00 N ATOM 1114 CA THR A 76 -1.101 -8.615 -6.361 1.00 0.00 C ATOM 1115 C THR A 76 -2.485 -7.981 -6.301 1.00 0.00 C ATOM 1116 O THR A 76 -2.870 -7.421 -5.273 1.00 0.00 O ATOM 1117 CB THR A 76 -1.253 -10.145 -6.387 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.101 -10.765 -5.802 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.434 -10.648 -7.811 1.00 0.00 C ATOM 0 H THR A 76 -0.827 -7.998 -4.382 1.00 0.00 H new ATOM 0 HA THR A 76 -0.588 -8.295 -7.268 1.00 0.00 H new ATOM 0 HB THR A 76 -2.139 -10.407 -5.809 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.208 -11.739 -5.822 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.539 -11.733 -7.803 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.328 -10.200 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.564 -10.372 -8.408 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.240 -8.075 -7.393 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.584 -7.512 -7.419 1.00 0.00 C ATOM 1129 C VAL A 77 -5.451 -8.232 -6.390 1.00 0.00 C ATOM 1130 O VAL A 77 -5.898 -9.360 -6.608 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.223 -7.622 -8.823 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -5.052 -9.023 -9.387 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -6.696 -7.233 -8.783 1.00 0.00 C ATOM 0 H VAL A 77 -2.948 -8.529 -8.259 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.517 -6.452 -7.173 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.707 -6.925 -9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.509 -9.076 -10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.990 -9.256 -9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.534 -9.743 -8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.122 -7.319 -9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.229 -7.897 -8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.791 -6.204 -8.435 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.649 -7.579 -5.250 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.421 -8.148 -4.153 1.00 0.00 C ATOM 1145 C VAL A 78 -7.615 -7.279 -3.785 1.00 0.00 C ATOM 1146 O VAL A 78 -7.763 -6.163 -4.282 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.542 -8.294 -2.896 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.724 -9.573 -2.940 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.635 -7.081 -2.749 1.00 0.00 C ATOM 0 H VAL A 78 -5.281 -6.646 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.775 -9.120 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.197 -8.352 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.115 -9.646 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.393 -10.431 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.076 -9.560 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.018 -7.194 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.994 -6.998 -3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.243 -6.181 -2.658 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.445 -7.790 -2.880 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.608 -7.057 -2.404 1.00 0.00 C ATOM 1161 C ASP A 79 -9.224 -6.259 -1.165 1.00 0.00 C ATOM 1162 O ASP A 79 -8.958 -6.832 -0.107 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.755 -8.017 -2.083 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.649 -8.270 -3.283 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -11.368 -9.219 -4.043 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.630 -7.516 -3.461 1.00 0.00 O ATOM 0 H ASP A 79 -8.331 -8.713 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.946 -6.376 -3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.345 -8.964 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.352 -7.607 -1.268 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.170 -4.943 -1.306 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.789 -4.074 -0.201 1.00 0.00 C ATOM 1173 C ILE A 80 -10.003 -3.434 0.462 1.00 0.00 C ATOM 1174 O ILE A 80 -11.111 -3.480 -0.068 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.825 -2.970 -0.675 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.572 -1.905 -1.482 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.703 -3.578 -1.505 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -7.854 -0.572 -1.530 1.00 0.00 C ATOM 0 H ILE A 80 -9.385 -4.453 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.286 -4.702 0.534 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.393 -2.488 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.718 -2.267 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.562 -1.760 -1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.027 -2.790 -1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.152 -4.299 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.125 -4.082 -2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.439 0.135 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.731 -0.188 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.874 -0.703 -1.990 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.776 -2.831 1.625 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.838 -2.168 2.372 1.00 0.00 C ATOM 1192 C ILE A 81 -10.332 -0.872 2.993 1.00 0.00 C ATOM 1193 O ILE A 81 -9.203 -0.808 3.478 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.399 -3.074 3.485 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.256 -3.756 4.240 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.346 -4.109 2.897 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.680 -4.363 5.559 1.00 0.00 C ATOM 0 H ILE A 81 -8.860 -2.788 2.072 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.637 -1.948 1.664 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.958 -2.458 4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.830 -4.537 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.466 -3.027 4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.734 -4.742 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.174 -3.604 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -11.809 -4.724 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.819 -4.829 6.039 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.078 -3.583 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.448 -5.116 5.383 1.00 0.00 H new ATOM 1209 N SER A 82 -11.167 0.162 2.973 1.00 0.00 N ATOM 1210 CA SER A 82 -10.791 1.456 3.531 1.00 0.00 C ATOM 1211 C SER A 82 -11.215 1.572 4.992 1.00 0.00 C ATOM 1212 O SER A 82 -11.943 0.724 5.506 1.00 0.00 O ATOM 1213 CB SER A 82 -11.415 2.589 2.714 1.00 0.00 C ATOM 1214 OG SER A 82 -12.318 3.352 3.497 1.00 0.00 O ATOM 0 H SER A 82 -12.107 0.129 2.577 1.00 0.00 H new ATOM 0 HA SER A 82 -9.705 1.537 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.629 3.237 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.938 2.174 1.853 1.00 0.00 H new ATOM 0 HG SER A 82 -12.700 4.069 2.950 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.729 2.618 5.657 1.00 0.00 N ATOM 1221 CA ARG A 83 -11.034 2.854 7.068 1.00 0.00 C ATOM 1222 C ARG A 83 -12.529 2.720 7.369 1.00 0.00 C ATOM 1223 O ARG A 83 -12.912 2.237 8.435 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.547 4.245 7.489 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.456 5.381 7.037 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.660 6.532 6.442 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.146 7.831 6.903 1.00 0.00 N ATOM 1228 CZ ARG A 83 -10.401 8.698 7.582 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -9.143 8.403 7.882 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -10.913 9.861 7.962 1.00 0.00 N ATOM 0 H ARG A 83 -10.119 3.320 5.239 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.511 2.089 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.458 4.275 8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.549 4.408 7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.165 5.008 6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.039 5.741 7.885 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.609 6.422 6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.718 6.489 5.354 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.111 8.087 6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.745 7.510 7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.573 9.070 8.403 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.880 10.092 7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.340 10.525 8.483 1.00 0.00 H new ATOM 1244 N SER A 84 -13.372 3.164 6.437 1.00 0.00 N ATOM 1245 CA SER A 84 -14.820 3.102 6.626 1.00 0.00 C ATOM 1246 C SER A 84 -15.371 1.727 6.271 1.00 0.00 C ATOM 1247 O SER A 84 -16.488 1.376 6.653 1.00 0.00 O ATOM 1248 CB SER A 84 -15.507 4.172 5.776 1.00 0.00 C ATOM 1249 OG SER A 84 -14.879 5.432 5.937 1.00 0.00 O ATOM 0 H SER A 84 -13.079 3.569 5.548 1.00 0.00 H new ATOM 0 HA SER A 84 -15.026 3.287 7.680 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.480 3.880 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.557 4.247 6.059 1.00 0.00 H new ATOM 0 HG SER A 84 -15.336 6.098 5.382 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.583 0.951 5.541 1.00 0.00 N ATOM 1256 CA GLY A 85 -15.006 -0.377 5.145 1.00 0.00 C ATOM 1257 C GLY A 85 -15.534 -0.414 3.734 1.00 0.00 C ATOM 1258 O GLY A 85 -16.658 0.016 3.472 1.00 0.00 O ATOM 0 H GLY A 85 -13.654 1.219 5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.165 -1.065 5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.779 -0.728 5.829 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.724 -0.925 2.820 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.113 -1.013 1.423 1.00 0.00 C ATOM 1264 C GLU A 86 -14.401 -2.172 0.734 1.00 0.00 C ATOM 1265 O GLU A 86 -13.269 -2.028 0.274 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.791 0.296 0.704 1.00 0.00 C ATOM 1267 CG GLU A 86 -15.732 1.439 1.049 1.00 0.00 C ATOM 1268 CD GLU A 86 -15.918 2.409 -0.101 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -14.915 3.015 -0.535 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -17.067 2.567 -0.567 1.00 0.00 O ATOM 0 H GLU A 86 -13.791 -1.286 3.022 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.187 -1.192 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.771 0.592 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.823 0.125 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.701 1.032 1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.343 1.977 1.914 1.00 0.00 H new ATOM 1277 N LYS A 87 -15.073 -3.319 0.667 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.501 -4.502 0.032 1.00 0.00 C ATOM 1279 C LYS A 87 -14.495 -4.352 -1.486 1.00 0.00 C ATOM 1280 O LYS A 87 -15.294 -4.971 -2.188 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.289 -5.754 0.432 1.00 0.00 C ATOM 1282 CG LYS A 87 -14.741 -6.448 1.666 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.368 -5.900 2.938 1.00 0.00 C ATOM 1284 CE LYS A 87 -15.207 -6.867 4.100 1.00 0.00 C ATOM 1285 NZ LYS A 87 -15.296 -6.176 5.414 1.00 0.00 N ATOM 0 H LYS A 87 -16.011 -3.454 1.044 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.471 -4.607 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.328 -5.477 0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.286 -6.457 -0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.932 -7.519 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.659 -6.319 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.906 -4.946 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.427 -5.706 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.977 -7.636 4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.245 -7.373 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.181 -6.870 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.545 -5.459 5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.224 -5.714 5.501 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.588 -3.518 -1.987 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.475 -3.274 -3.412 1.00 0.00 C ATOM 1301 C ILE A 88 -12.212 -3.921 -3.977 1.00 0.00 C ATOM 1302 O ILE A 88 -11.120 -3.739 -3.439 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.447 -1.762 -3.702 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -14.776 -1.119 -3.304 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -13.148 -1.508 -5.167 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -14.649 0.337 -2.908 1.00 0.00 C ATOM 0 H ILE A 88 -12.919 -2.999 -1.418 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.346 -3.717 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.654 -1.309 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -15.474 -1.201 -4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.206 -1.677 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.132 -0.434 -5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.177 -1.935 -5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.919 -1.972 -5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.630 0.728 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -13.976 0.425 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.249 0.908 -3.746 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.341 -4.688 -5.077 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.198 -5.354 -5.708 1.00 0.00 C ATOM 1320 C PRO A 89 -10.317 -4.376 -6.477 1.00 0.00 C ATOM 1321 O PRO A 89 -10.803 -3.617 -7.313 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.858 -6.345 -6.666 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.161 -5.717 -7.018 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.603 -4.960 -5.794 1.00 0.00 C ATOM 0 HA PRO A 89 -10.537 -5.821 -4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.245 -6.508 -7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.001 -7.317 -6.194 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.053 -5.048 -7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.896 -6.473 -7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.120 -4.038 -6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.291 -5.548 -5.186 1.00 0.00 H new ATOM 1332 N VAL A 90 -9.017 -4.402 -6.194 1.00 0.00 N ATOM 1333 CA VAL A 90 -8.073 -3.518 -6.868 1.00 0.00 C ATOM 1334 C VAL A 90 -6.722 -4.198 -7.056 1.00 0.00 C ATOM 1335 O VAL A 90 -6.505 -5.312 -6.583 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.866 -2.200 -6.094 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -9.169 -1.427 -5.973 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -7.274 -2.475 -4.719 1.00 0.00 C ATOM 0 H VAL A 90 -8.595 -5.024 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.506 -3.289 -7.842 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.163 -1.585 -6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.994 -0.502 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.546 -1.191 -6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.903 -2.032 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.135 -1.533 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.951 -3.115 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.311 -2.974 -4.830 1.00 0.00 H new ATOM 1348 N SER A 91 -5.821 -3.516 -7.752 1.00 0.00 N ATOM 1349 CA SER A 91 -4.489 -4.047 -8.011 1.00 0.00 C ATOM 1350 C SER A 91 -3.457 -3.418 -7.083 1.00 0.00 C ATOM 1351 O SER A 91 -3.344 -2.196 -7.003 1.00 0.00 O ATOM 1352 CB SER A 91 -4.095 -3.800 -9.469 1.00 0.00 C ATOM 1353 OG SER A 91 -3.117 -4.730 -9.897 1.00 0.00 O ATOM 0 H SER A 91 -5.989 -2.591 -8.148 1.00 0.00 H new ATOM 0 HA SER A 91 -4.513 -5.120 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.977 -3.876 -10.105 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.710 -2.786 -9.578 1.00 0.00 H new ATOM 0 HG SER A 91 -2.883 -4.552 -10.832 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.696 -4.262 -6.392 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.664 -3.784 -5.480 1.00 0.00 C ATOM 1361 C VAL A 92 -0.309 -4.378 -5.832 1.00 0.00 C ATOM 1362 O VAL A 92 -0.176 -5.587 -5.997 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.983 -4.130 -4.013 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.854 -3.667 -3.099 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.308 -3.516 -3.589 1.00 0.00 C ATOM 0 H VAL A 92 -2.775 -5.277 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.636 -2.700 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.072 -5.213 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.095 -3.919 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.073 -4.163 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.732 -2.588 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.512 -3.774 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.256 -2.432 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.107 -3.902 -4.222 1.00 0.00 H new ATOM 1375 N TRP A 93 0.695 -3.518 -5.932 1.00 0.00 N ATOM 1376 CA TRP A 93 2.041 -3.965 -6.249 1.00 0.00 C ATOM 1377 C TRP A 93 3.076 -3.186 -5.443 1.00 0.00 C ATOM 1378 O TRP A 93 3.329 -2.011 -5.709 1.00 0.00 O ATOM 1379 CB TRP A 93 2.334 -3.847 -7.755 1.00 0.00 C ATOM 1380 CG TRP A 93 1.396 -2.949 -8.515 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.062 -3.150 -8.750 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.734 -1.718 -9.167 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.449 -2.114 -9.492 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.558 -1.224 -9.765 1.00 0.00 C ATOM 1385 CE3 TRP A 93 2.915 -0.983 -9.299 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.531 -0.032 -10.483 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 2.888 0.201 -10.013 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.703 0.665 -10.597 1.00 0.00 C ATOM 0 H TRP A 93 0.602 -2.511 -5.799 1.00 0.00 H new ATOM 0 HA TRP A 93 2.109 -5.018 -5.976 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.351 -3.478 -7.884 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.298 -4.843 -8.196 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.506 -4.000 -8.402 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.420 -2.021 -9.791 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.833 -1.334 -8.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.381 0.330 -10.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.795 0.777 -10.122 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.714 1.593 -11.149 1.00 0.00 H new ATOM 1399 N MET A 94 3.670 -3.855 -4.456 1.00 0.00 N ATOM 1400 CA MET A 94 4.679 -3.234 -3.607 1.00 0.00 C ATOM 1401 C MET A 94 6.075 -3.657 -4.036 1.00 0.00 C ATOM 1402 O MET A 94 6.305 -4.819 -4.377 1.00 0.00 O ATOM 1403 CB MET A 94 4.448 -3.599 -2.140 1.00 0.00 C ATOM 1404 CG MET A 94 4.563 -2.415 -1.195 1.00 0.00 C ATOM 1405 SD MET A 94 4.298 -2.876 0.528 1.00 0.00 S ATOM 1406 CE MET A 94 4.647 -1.326 1.359 1.00 0.00 C ATOM 0 H MET A 94 3.468 -4.828 -4.226 1.00 0.00 H new ATOM 0 HA MET A 94 4.593 -2.153 -3.716 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.458 -4.042 -2.036 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.170 -4.360 -1.845 1.00 0.00 H new ATOM 0 HG2 MET A 94 5.551 -1.966 -1.299 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.835 -1.655 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.392 -1.490 2.138 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.030 -0.604 0.637 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.732 -0.940 1.808 1.00 0.00 H new ATOM 1416 N LYS A 95 7.006 -2.711 -4.022 1.00 0.00 N ATOM 1417 CA LYS A 95 8.383 -2.994 -4.419 1.00 0.00 C ATOM 1418 C LYS A 95 9.348 -1.935 -3.891 1.00 0.00 C ATOM 1419 O LYS A 95 8.989 -0.766 -3.750 1.00 0.00 O ATOM 1420 CB LYS A 95 8.486 -3.081 -5.943 1.00 0.00 C ATOM 1421 CG LYS A 95 7.695 -2.005 -6.670 1.00 0.00 C ATOM 1422 CD LYS A 95 6.525 -2.595 -7.441 1.00 0.00 C ATOM 1423 CE LYS A 95 6.326 -1.897 -8.776 1.00 0.00 C ATOM 1424 NZ LYS A 95 6.900 -2.679 -9.904 1.00 0.00 N ATOM 0 H LYS A 95 6.836 -1.745 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 95 8.664 -3.952 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.534 -3.007 -6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.134 -4.060 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.326 -1.275 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.352 -1.471 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.698 -3.658 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.616 -2.509 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.261 -1.740 -8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.792 -0.912 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.743 -2.168 -10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.921 -2.807 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.438 -3.609 -9.952 1.00 0.00 H new ATOM 1438 N ARG A 96 10.580 -2.354 -3.611 1.00 0.00 N ATOM 1439 CA ARG A 96 11.605 -1.445 -3.110 1.00 0.00 C ATOM 1440 C ARG A 96 12.180 -0.603 -4.242 1.00 0.00 C ATOM 1441 O ARG A 96 12.990 -1.080 -5.038 1.00 0.00 O ATOM 1442 CB ARG A 96 12.721 -2.228 -2.420 1.00 0.00 C ATOM 1443 CG ARG A 96 12.363 -2.692 -1.018 1.00 0.00 C ATOM 1444 CD ARG A 96 11.696 -4.060 -1.033 1.00 0.00 C ATOM 1445 NE ARG A 96 12.176 -4.894 -2.132 1.00 0.00 N ATOM 1446 CZ ARG A 96 13.058 -5.877 -1.980 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.550 -6.154 -0.780 1.00 0.00 N ATOM 1448 NH2 ARG A 96 13.447 -6.587 -3.032 1.00 0.00 N ATOM 0 H ARG A 96 10.892 -3.319 -3.723 1.00 0.00 H new ATOM 0 HA ARG A 96 11.141 -0.778 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.973 -3.097 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.614 -1.604 -2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.264 -2.733 -0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.695 -1.966 -0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.885 -4.565 -0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.616 -3.935 -1.118 1.00 0.00 H new ATOM 0 HE ARG A 96 11.814 -4.712 -3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.252 -5.612 0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.226 -6.909 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.069 -6.378 -3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.124 -7.341 -2.916 1.00 0.00 H new ATOM 1462 N MET A 97 11.743 0.648 -4.315 1.00 0.00 N ATOM 1463 CA MET A 97 12.195 1.564 -5.355 1.00 0.00 C ATOM 1464 C MET A 97 12.984 2.729 -4.766 1.00 0.00 C ATOM 1465 O MET A 97 13.439 3.610 -5.496 1.00 0.00 O ATOM 1466 CB MET A 97 10.988 2.110 -6.109 1.00 0.00 C ATOM 1467 CG MET A 97 10.125 3.015 -5.248 1.00 0.00 C ATOM 1468 SD MET A 97 9.949 4.672 -5.938 1.00 0.00 S ATOM 1469 CE MET A 97 8.304 4.579 -6.639 1.00 0.00 C ATOM 0 H MET A 97 11.072 1.053 -3.662 1.00 0.00 H new ATOM 0 HA MET A 97 12.848 1.012 -6.031 1.00 0.00 H new ATOM 0 HB2 MET A 97 11.330 2.664 -6.983 1.00 0.00 H new ATOM 0 HB3 MET A 97 10.385 1.278 -6.474 1.00 0.00 H new ATOM 0 HG2 MET A 97 9.138 2.567 -5.133 1.00 0.00 H new ATOM 0 HG3 MET A 97 10.561 3.085 -4.251 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.348 4.814 -7.702 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.908 3.572 -6.506 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.653 5.294 -6.136 1.00 0.00 H new ATOM 1479 N ARG A 98 13.142 2.722 -3.447 1.00 0.00 N ATOM 1480 CA ARG A 98 13.878 3.777 -2.750 1.00 0.00 C ATOM 1481 C ARG A 98 13.282 5.156 -3.034 1.00 0.00 C ATOM 1482 O ARG A 98 12.448 5.317 -3.926 1.00 0.00 O ATOM 1483 CB ARG A 98 15.355 3.753 -3.153 1.00 0.00 C ATOM 1484 CG ARG A 98 16.085 2.494 -2.713 1.00 0.00 C ATOM 1485 CD ARG A 98 17.583 2.728 -2.605 1.00 0.00 C ATOM 1486 NE ARG A 98 18.316 2.080 -3.688 1.00 0.00 N ATOM 1487 CZ ARG A 98 18.911 2.740 -4.677 1.00 0.00 C ATOM 1488 NH1 ARG A 98 18.858 4.064 -4.719 1.00 0.00 N ATOM 1489 NH2 ARG A 98 19.558 2.076 -5.623 1.00 0.00 N ATOM 0 H ARG A 98 12.770 1.996 -2.835 1.00 0.00 H new ATOM 0 HA ARG A 98 13.795 3.586 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 98 15.429 3.846 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 98 15.854 4.622 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 98 15.697 2.165 -1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 98 15.891 1.692 -3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 98 17.785 3.799 -2.620 1.00 0.00 H new ATOM 0 HD3 ARG A 98 17.941 2.350 -1.647 1.00 0.00 H new ATOM 0 HE ARG A 98 18.375 1.062 -3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 98 18.360 4.578 -3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.315 4.569 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.600 1.057 -5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.014 2.583 -6.381 1.00 0.00 H new ATOM 1503 N GLN A 99 13.723 6.150 -2.271 1.00 0.00 N ATOM 1504 CA GLN A 99 13.243 7.518 -2.439 1.00 0.00 C ATOM 1505 C GLN A 99 14.346 8.514 -2.097 1.00 0.00 C ATOM 1506 O GLN A 99 14.264 9.691 -2.448 1.00 0.00 O ATOM 1507 CB GLN A 99 12.018 7.775 -1.556 1.00 0.00 C ATOM 1508 CG GLN A 99 10.773 7.020 -1.998 1.00 0.00 C ATOM 1509 CD GLN A 99 9.878 7.835 -2.914 1.00 0.00 C ATOM 1510 OE1 GLN A 99 10.233 8.117 -4.058 1.00 0.00 O ATOM 1511 NE2 GLN A 99 8.708 8.221 -2.412 1.00 0.00 N ATOM 0 H GLN A 99 14.413 6.034 -1.529 1.00 0.00 H new ATOM 0 HA GLN A 99 12.955 7.651 -3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.256 7.495 -0.530 1.00 0.00 H new ATOM 0 HB3 GLN A 99 11.802 8.843 -1.553 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.072 6.106 -2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.205 6.720 -1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 99 8.453 7.965 -1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.066 8.773 -2.981 1.00 0.00 H new ATOM 1520 N GLU A 100 15.376 8.030 -1.409 1.00 0.00 N ATOM 1521 CA GLU A 100 16.500 8.874 -1.016 1.00 0.00 C ATOM 1522 C GLU A 100 17.787 8.060 -0.923 1.00 0.00 C ATOM 1523 O GLU A 100 18.658 8.158 -1.787 1.00 0.00 O ATOM 1524 CB GLU A 100 16.209 9.549 0.326 1.00 0.00 C ATOM 1525 CG GLU A 100 16.621 11.011 0.373 1.00 0.00 C ATOM 1526 CD GLU A 100 17.663 11.288 1.436 1.00 0.00 C ATOM 1527 OE1 GLU A 100 17.462 10.859 2.592 1.00 0.00 O ATOM 1528 OE2 GLU A 100 18.682 11.936 1.115 1.00 0.00 O ATOM 0 H GLU A 100 15.456 7.057 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 100 16.633 9.640 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.142 9.474 0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.730 9.008 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 100 17.013 11.306 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.742 11.627 0.562 1.00 0.00 H new ATOM 1535 N ARG A 101 17.898 7.260 0.132 1.00 0.00 N ATOM 1536 CA ARG A 101 19.077 6.427 0.342 1.00 0.00 C ATOM 1537 C ARG A 101 18.705 5.153 1.090 1.00 0.00 C ATOM 1538 O ARG A 101 19.568 4.457 1.626 1.00 0.00 O ATOM 1539 CB ARG A 101 20.143 7.200 1.122 1.00 0.00 C ATOM 1540 CG ARG A 101 19.574 8.085 2.219 1.00 0.00 C ATOM 1541 CD ARG A 101 19.785 7.472 3.595 1.00 0.00 C ATOM 1542 NE ARG A 101 19.774 8.479 4.651 1.00 0.00 N ATOM 1543 CZ ARG A 101 20.037 8.213 5.927 1.00 0.00 C ATOM 1544 NH1 ARG A 101 20.331 6.977 6.303 1.00 0.00 N ATOM 1545 NH2 ARG A 101 20.006 9.185 6.829 1.00 0.00 N ATOM 0 H ARG A 101 17.185 7.171 0.856 1.00 0.00 H new ATOM 0 HA ARG A 101 19.482 6.154 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 101 20.842 6.491 1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.713 7.818 0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 101 20.048 9.066 2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.509 8.239 2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.004 6.737 3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 101 20.736 6.939 3.612 1.00 0.00 H new ATOM 0 HE ARG A 101 19.552 9.441 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.356 6.226 5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 101 20.532 6.776 7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.780 10.138 6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.208 8.979 7.807 1.00 0.00 H new ATOM 1559 N ARG A 102 17.410 4.856 1.122 1.00 0.00 N ATOM 1560 CA ARG A 102 16.912 3.668 1.805 1.00 0.00 C ATOM 1561 C ARG A 102 15.852 2.960 0.965 1.00 0.00 C ATOM 1562 O ARG A 102 15.053 3.605 0.286 1.00 0.00 O ATOM 1563 CB ARG A 102 16.327 4.051 3.168 1.00 0.00 C ATOM 1564 CG ARG A 102 15.584 2.915 3.855 1.00 0.00 C ATOM 1565 CD ARG A 102 14.505 3.442 4.789 1.00 0.00 C ATOM 1566 NE ARG A 102 15.033 4.404 5.752 1.00 0.00 N ATOM 1567 CZ ARG A 102 15.776 4.069 6.804 1.00 0.00 C ATOM 1568 NH1 ARG A 102 16.082 2.797 7.027 1.00 0.00 N ATOM 1569 NH2 ARG A 102 16.213 5.007 7.633 1.00 0.00 N ATOM 0 H ARG A 102 16.685 5.423 0.682 1.00 0.00 H new ATOM 0 HA ARG A 102 17.748 2.984 1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.134 4.391 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.646 4.892 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.132 2.267 3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 102 16.290 2.305 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.717 3.913 4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.050 2.608 5.323 1.00 0.00 H new ATOM 0 HE ARG A 102 14.820 5.391 5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 102 15.748 2.073 6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 102 16.652 2.543 7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 102 15.980 5.986 7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 102 16.782 4.750 8.439 1.00 0.00 H new ATOM 1583 N LEU A 103 15.851 1.630 1.020 1.00 0.00 N ATOM 1584 CA LEU A 103 14.885 0.835 0.270 1.00 0.00 C ATOM 1585 C LEU A 103 13.462 1.204 0.670 1.00 0.00 C ATOM 1586 O LEU A 103 12.983 0.800 1.728 1.00 0.00 O ATOM 1587 CB LEU A 103 15.121 -0.656 0.515 1.00 0.00 C ATOM 1588 CG LEU A 103 16.175 -1.304 -0.381 1.00 0.00 C ATOM 1589 CD1 LEU A 103 17.573 -1.006 0.141 1.00 0.00 C ATOM 1590 CD2 LEU A 103 15.944 -2.804 -0.473 1.00 0.00 C ATOM 0 H LEU A 103 16.508 1.082 1.576 1.00 0.00 H new ATOM 0 HA LEU A 103 15.018 1.048 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 103 15.417 -0.795 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.177 -1.184 0.379 1.00 0.00 H new ATOM 0 HG LEU A 103 16.087 -0.882 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 103 18.312 -1.475 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 103 17.734 0.072 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 103 17.676 -1.401 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 103 16.703 -3.250 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.006 -3.243 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 103 14.956 -2.995 -0.893 1.00 0.00 H new ATOM 1602 N CYS A 104 12.797 1.984 -0.174 1.00 0.00 N ATOM 1603 CA CYS A 104 11.436 2.413 0.111 1.00 0.00 C ATOM 1604 C CYS A 104 10.416 1.550 -0.619 1.00 0.00 C ATOM 1605 O CYS A 104 10.403 1.487 -1.848 1.00 0.00 O ATOM 1606 CB CYS A 104 11.249 3.882 -0.274 1.00 0.00 C ATOM 1607 SG CYS A 104 12.049 5.049 0.852 1.00 0.00 S ATOM 0 H CYS A 104 13.176 2.330 -1.055 1.00 0.00 H new ATOM 0 HA CYS A 104 11.271 2.299 1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.642 4.036 -1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.182 4.103 -0.312 1.00 0.00 H new ATOM 0 HG CYS A 104 13.326 4.807 0.893 1.00 0.00 H new ATOM 1613 N CYS A 105 9.552 0.902 0.153 1.00 0.00 N ATOM 1614 CA CYS A 105 8.509 0.054 -0.407 1.00 0.00 C ATOM 1615 C CYS A 105 7.348 0.918 -0.886 1.00 0.00 C ATOM 1616 O CYS A 105 6.802 1.714 -0.124 1.00 0.00 O ATOM 1617 CB CYS A 105 8.028 -0.943 0.651 1.00 0.00 C ATOM 1618 SG CYS A 105 7.674 -2.594 0.004 1.00 0.00 S ATOM 0 H CYS A 105 9.554 0.949 1.172 1.00 0.00 H new ATOM 0 HA CYS A 105 8.910 -0.501 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.787 -1.025 1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.128 -0.549 1.123 1.00 0.00 H new ATOM 0 HG CYS A 105 6.455 -2.927 0.308 1.00 0.00 H new ATOM 1624 N VAL A 106 6.982 0.771 -2.155 1.00 0.00 N ATOM 1625 CA VAL A 106 5.897 1.560 -2.728 1.00 0.00 C ATOM 1626 C VAL A 106 4.761 0.676 -3.231 1.00 0.00 C ATOM 1627 O VAL A 106 4.986 -0.297 -3.949 1.00 0.00 O ATOM 1628 CB VAL A 106 6.401 2.447 -3.884 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.237 3.045 -4.665 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.308 3.546 -3.354 1.00 0.00 C ATOM 0 H VAL A 106 7.418 0.116 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 106 5.518 2.195 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 106 6.975 1.819 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.622 3.666 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.628 2.243 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.627 3.655 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.655 4.163 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.755 4.165 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.165 3.099 -2.851 1.00 0.00 H new ATOM 1640 N VAL A 107 3.539 1.049 -2.869 1.00 0.00 N ATOM 1641 CA VAL A 107 2.345 0.325 -3.292 1.00 0.00 C ATOM 1642 C VAL A 107 1.504 1.201 -4.200 1.00 0.00 C ATOM 1643 O VAL A 107 1.392 2.407 -3.979 1.00 0.00 O ATOM 1644 CB VAL A 107 1.455 -0.070 -2.101 1.00 0.00 C ATOM 1645 CG1 VAL A 107 1.633 -1.522 -1.705 1.00 0.00 C ATOM 1646 CG2 VAL A 107 1.707 0.858 -0.936 1.00 0.00 C ATOM 0 H VAL A 107 3.348 1.857 -2.277 1.00 0.00 H new ATOM 0 HA VAL A 107 2.691 -0.573 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 107 0.416 0.035 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.983 -1.751 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.373 -2.163 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.671 -1.697 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.072 0.570 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.753 0.792 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.477 1.882 -1.230 1.00 0.00 H new ATOM 1656 N VAL A 108 0.897 0.600 -5.206 1.00 0.00 N ATOM 1657 CA VAL A 108 0.049 1.348 -6.114 1.00 0.00 C ATOM 1658 C VAL A 108 -1.280 0.637 -6.303 1.00 0.00 C ATOM 1659 O VAL A 108 -1.359 -0.380 -6.992 1.00 0.00 O ATOM 1660 CB VAL A 108 0.718 1.570 -7.482 1.00 0.00 C ATOM 1661 CG1 VAL A 108 -0.056 2.599 -8.290 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.167 2.002 -7.307 1.00 0.00 C ATOM 0 H VAL A 108 0.974 -0.396 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.119 2.326 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 108 0.709 0.627 -8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.430 2.745 -9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.075 2.247 -8.447 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.078 3.545 -7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.622 2.154 -8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.203 2.933 -6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.715 1.229 -6.768 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.323 1.169 -5.677 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.645 0.576 -5.760 1.00 0.00 C ATOM 1674 C LEU A 109 -4.415 1.130 -6.950 1.00 0.00 C ATOM 1675 O LEU A 109 -4.750 2.314 -6.997 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.404 0.837 -4.462 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.505 1.114 -3.256 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.287 1.776 -2.141 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -2.857 -0.174 -2.772 1.00 0.00 C ATOM 0 H LEU A 109 -2.275 2.013 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.540 -0.499 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.070 1.688 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.033 -0.026 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.717 1.801 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.626 1.963 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.698 2.721 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.100 1.121 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.220 0.039 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.631 -0.884 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.254 -0.602 -3.573 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.680 0.260 -7.916 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.399 0.640 -9.122 1.00 0.00 C ATOM 1693 C GLU A 110 -6.723 -0.115 -9.225 1.00 0.00 C ATOM 1694 O GLU A 110 -6.737 -1.339 -9.350 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.531 0.353 -10.350 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.410 1.526 -11.306 1.00 0.00 C ATOM 1697 CD GLU A 110 -2.969 1.853 -11.643 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -2.323 1.041 -12.339 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -2.486 2.921 -11.212 1.00 0.00 O ATOM 0 H GLU A 110 -4.404 -0.722 -7.885 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.619 1.707 -9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.534 0.063 -10.018 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.949 -0.499 -10.887 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.952 1.300 -12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.884 2.402 -10.863 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.859 0.608 -9.174 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.188 -0.010 -9.262 1.00 0.00 C ATOM 1708 C PRO A 111 -9.315 -0.928 -10.472 1.00 0.00 C ATOM 1709 O PRO A 111 -8.873 -0.587 -11.570 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.130 1.188 -9.393 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.398 2.320 -8.761 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.940 2.073 -9.029 1.00 0.00 C ATOM 0 HA PRO A 111 -9.404 -0.642 -8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.358 1.399 -10.438 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.079 1.001 -8.891 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.716 3.274 -9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.596 2.363 -7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.606 2.585 -9.932 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.315 2.430 -8.210 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.915 -2.096 -10.267 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.093 -3.064 -11.344 1.00 0.00 C ATOM 1722 C VAL A 112 -11.186 -2.626 -12.313 1.00 0.00 C ATOM 1723 O VAL A 112 -12.224 -2.108 -11.904 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.439 -4.464 -10.793 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.328 -4.971 -9.886 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.771 -4.441 -10.056 1.00 0.00 C ATOM 0 H VAL A 112 -10.286 -2.395 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.144 -3.115 -11.877 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.532 -5.149 -11.635 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.590 -5.959 -9.507 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.398 -5.034 -10.450 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.199 -4.284 -9.049 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.994 -5.438 -9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.714 -3.740 -9.223 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.560 -4.128 -10.740 1.00 0.00 H new