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 94 MET CE :methyl -130:sc= -0.0615 (180deg=-0.954) USER MOD Set 1.2: A 105 CYS SG : rot -170:sc= -3.19! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -31:sc= 0.768 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 25 ASN : amide:sc= 0.339 K(o=0.34,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -65:sc= -0.644 USER MOD Single : A 34 TYR OH : rot 90:sc= 0.657 USER MOD Single : A 35 SER OG : rot -113:sc= -0.5 USER MOD Single : A 36 SER OG : rot -78:sc= 0.865 USER MOD Single : A 37 GLN : amide:sc= -0.901 K(o=-0.9,f=-0.15) USER MOD Single : A 42 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.19) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -179:sc= -2.28! USER MOD Single : A 46 GLN : amide:sc= -0.751 K(o=-0.75,f=-0.082) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -1.3 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0253 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0516 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 -83:sc= -0.335 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl -136:sc= -0.176 (180deg=-2.08!) USER MOD Single : A 99 GLN : amide:sc= -4.18! K(o=-4.2!,f=-1.4) USER MOD Single : A 104 CYS SG : rot 1:sc= -0.358 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -2.989 9.252 -8.943 1.00 0.00 N ATOM 113 CA LYS A 9 -2.579 7.874 -8.701 1.00 0.00 C ATOM 114 C LYS A 9 -2.465 7.576 -7.207 1.00 0.00 C ATOM 115 O LYS A 9 -2.042 8.422 -6.413 1.00 0.00 O ATOM 116 CB LYS A 9 -1.242 7.595 -9.388 1.00 0.00 C ATOM 117 CG LYS A 9 -1.370 6.776 -10.664 1.00 0.00 C ATOM 118 CD LYS A 9 -0.185 5.841 -10.847 1.00 0.00 C ATOM 119 CE LYS A 9 -0.638 4.405 -11.058 1.00 0.00 C ATOM 120 NZ LYS A 9 -0.031 3.804 -12.277 1.00 0.00 N ATOM 0 HA LYS A 9 -3.347 7.222 -9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.759 8.544 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.589 7.068 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.292 6.195 -10.634 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.443 7.445 -11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.408 6.166 -11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.462 5.895 -9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.369 3.808 -10.187 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.724 4.376 -11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.365 2.825 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.308 4.358 -13.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.005 3.808 -12.187 1.00 0.00 H new ATOM 134 N ALA A 10 -2.852 6.364 -6.829 1.00 0.00 N ATOM 135 CA ALA A 10 -2.790 5.947 -5.437 1.00 0.00 C ATOM 136 C ALA A 10 -1.403 5.410 -5.107 1.00 0.00 C ATOM 137 O ALA A 10 -1.132 4.221 -5.267 1.00 0.00 O ATOM 138 CB ALA A 10 -3.855 4.901 -5.143 1.00 0.00 C ATOM 0 H ALA A 10 -3.212 5.654 -7.467 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.983 6.815 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.792 4.602 -4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.841 5.320 -5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.696 4.031 -5.779 1.00 0.00 H new ATOM 144 N ILE A 11 -0.525 6.297 -4.652 1.00 0.00 N ATOM 145 CA ILE A 11 0.839 5.917 -4.310 1.00 0.00 C ATOM 146 C ILE A 11 1.105 6.076 -2.817 1.00 0.00 C ATOM 147 O ILE A 11 0.872 7.140 -2.242 1.00 0.00 O ATOM 148 CB ILE A 11 1.872 6.747 -5.104 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.793 6.406 -6.593 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.279 6.506 -4.571 1.00 0.00 C ATOM 151 CD1 ILE A 11 2.315 7.502 -7.494 1.00 0.00 C ATOM 0 H ILE A 11 -0.735 7.285 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 11 0.948 4.866 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 11 1.638 7.804 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.360 5.494 -6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.756 6.196 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.992 7.100 -5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.325 6.797 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.528 5.449 -4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.228 7.190 -8.535 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.733 8.410 -7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.362 7.697 -7.261 1.00 0.00 H new ATOM 163 N PHE A 12 1.612 5.012 -2.204 1.00 0.00 N ATOM 164 CA PHE A 12 1.934 5.021 -0.783 1.00 0.00 C ATOM 165 C PHE A 12 3.424 4.767 -0.591 1.00 0.00 C ATOM 166 O PHE A 12 3.901 3.654 -0.811 1.00 0.00 O ATOM 167 CB PHE A 12 1.134 3.942 -0.046 1.00 0.00 C ATOM 168 CG PHE A 12 -0.200 4.406 0.464 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.288 4.500 -0.388 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.369 4.740 1.799 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.519 4.921 0.081 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.598 5.162 2.275 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.673 5.252 1.413 1.00 0.00 C ATOM 0 H PHE A 12 1.809 4.128 -2.673 1.00 0.00 H new ATOM 0 HA PHE A 12 1.673 5.997 -0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.980 3.097 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.725 3.578 0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.174 4.242 -1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.469 4.670 2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.359 4.991 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.716 5.420 3.317 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.634 5.581 1.780 1.00 0.00 H new ATOM 183 N THR A 13 4.159 5.796 -0.183 1.00 0.00 N ATOM 184 CA THR A 13 5.592 5.653 0.030 1.00 0.00 C ATOM 185 C THR A 13 5.893 5.254 1.462 1.00 0.00 C ATOM 186 O THR A 13 5.632 6.007 2.399 1.00 0.00 O ATOM 187 CB THR A 13 6.364 6.937 -0.306 1.00 0.00 C ATOM 188 OG1 THR A 13 5.814 7.553 -1.476 1.00 0.00 O ATOM 189 CG2 THR A 13 7.836 6.621 -0.533 1.00 0.00 C ATOM 0 H THR A 13 3.790 6.728 0.005 1.00 0.00 H new ATOM 0 HA THR A 13 5.924 4.867 -0.648 1.00 0.00 H new ATOM 0 HB THR A 13 6.274 7.626 0.533 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.313 8.372 -1.680 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.373 7.539 -0.771 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.256 6.178 0.370 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.934 5.919 -1.361 1.00 0.00 H new ATOM 197 N VAL A 14 6.439 4.058 1.620 1.00 0.00 N ATOM 198 CA VAL A 14 6.782 3.531 2.932 1.00 0.00 C ATOM 199 C VAL A 14 8.183 2.922 2.915 1.00 0.00 C ATOM 200 O VAL A 14 8.806 2.838 1.863 1.00 0.00 O ATOM 201 CB VAL A 14 5.764 2.454 3.383 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.400 2.720 2.773 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.237 1.051 3.017 1.00 0.00 C ATOM 0 H VAL A 14 6.656 3.428 0.847 1.00 0.00 H new ATOM 0 HA VAL A 14 6.755 4.361 3.638 1.00 0.00 H new ATOM 0 HB VAL A 14 5.684 2.511 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.699 1.953 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.043 3.699 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.477 2.699 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.499 0.320 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.360 0.979 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.191 0.850 3.505 1.00 0.00 H new ATOM 213 N ASP A 15 8.658 2.483 4.077 1.00 0.00 N ATOM 214 CA ASP A 15 9.968 1.850 4.180 1.00 0.00 C ATOM 215 C ASP A 15 9.788 0.334 4.198 1.00 0.00 C ATOM 216 O ASP A 15 8.704 -0.158 4.500 1.00 0.00 O ATOM 217 CB ASP A 15 10.698 2.316 5.443 1.00 0.00 C ATOM 218 CG ASP A 15 9.842 2.197 6.685 1.00 0.00 C ATOM 219 OD1 ASP A 15 9.863 1.121 7.318 1.00 0.00 O ATOM 220 OD2 ASP A 15 9.150 3.180 7.029 1.00 0.00 O ATOM 0 H ASP A 15 8.154 2.554 4.961 1.00 0.00 H new ATOM 0 HA ASP A 15 10.574 2.136 3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.605 1.726 5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.008 3.353 5.318 1.00 0.00 H new ATOM 225 N ALA A 16 10.830 -0.413 3.853 1.00 0.00 N ATOM 226 CA ALA A 16 10.727 -1.871 3.818 1.00 0.00 C ATOM 227 C ALA A 16 11.073 -2.514 5.153 1.00 0.00 C ATOM 228 O ALA A 16 10.706 -3.662 5.404 1.00 0.00 O ATOM 229 CB ALA A 16 11.607 -2.437 2.716 1.00 0.00 C ATOM 0 H ALA A 16 11.745 -0.042 3.596 1.00 0.00 H new ATOM 0 HA ALA A 16 9.685 -2.111 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.520 -3.523 2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.289 -2.035 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.645 -2.159 2.900 1.00 0.00 H new ATOM 235 N LYS A 17 11.768 -1.784 6.011 1.00 0.00 N ATOM 236 CA LYS A 17 12.134 -2.318 7.312 1.00 0.00 C ATOM 237 C LYS A 17 10.889 -2.526 8.168 1.00 0.00 C ATOM 238 O LYS A 17 10.532 -3.655 8.505 1.00 0.00 O ATOM 239 CB LYS A 17 13.106 -1.371 8.020 1.00 0.00 C ATOM 240 CG LYS A 17 13.632 -1.910 9.340 1.00 0.00 C ATOM 241 CD LYS A 17 12.924 -1.269 10.525 1.00 0.00 C ATOM 242 CE LYS A 17 13.459 0.126 10.808 1.00 0.00 C ATOM 243 NZ LYS A 17 14.590 0.102 11.775 1.00 0.00 N ATOM 0 H LYS A 17 12.087 -0.832 5.833 1.00 0.00 H new ATOM 0 HA LYS A 17 12.625 -3.280 7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.949 -1.169 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.606 -0.419 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.495 -2.991 9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.703 -1.723 9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.854 -1.215 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.052 -1.895 11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.789 0.584 9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.657 0.749 11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.926 1.072 11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.270 -0.312 12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.366 -0.471 11.387 1.00 0.00 H new ATOM 257 N THR A 18 10.251 -1.422 8.535 1.00 0.00 N ATOM 258 CA THR A 18 9.063 -1.484 9.377 1.00 0.00 C ATOM 259 C THR A 18 7.781 -1.095 8.653 1.00 0.00 C ATOM 260 O THR A 18 6.705 -1.109 9.250 1.00 0.00 O ATOM 261 CB THR A 18 9.217 -0.619 10.644 1.00 0.00 C ATOM 262 OG1 THR A 18 8.141 -0.882 11.553 1.00 0.00 O ATOM 263 CG2 THR A 18 9.238 0.861 10.294 1.00 0.00 C ATOM 0 H THR A 18 10.533 -0.480 8.265 1.00 0.00 H new ATOM 0 HA THR A 18 8.974 -2.533 9.660 1.00 0.00 H new ATOM 0 HB THR A 18 10.165 -0.878 11.117 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.336 -1.118 11.047 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.347 1.449 11.205 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.076 1.065 9.627 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.306 1.131 9.798 1.00 0.00 H new ATOM 271 N THR A 19 7.909 -0.720 7.387 1.00 0.00 N ATOM 272 CA THR A 19 6.766 -0.293 6.576 1.00 0.00 C ATOM 273 C THR A 19 6.470 1.181 6.828 1.00 0.00 C ATOM 274 O THR A 19 6.936 2.030 6.080 1.00 0.00 O ATOM 275 CB THR A 19 5.495 -1.132 6.836 1.00 0.00 C ATOM 276 OG1 THR A 19 5.847 -2.507 7.044 1.00 0.00 O ATOM 277 CG2 THR A 19 4.530 -1.029 5.664 1.00 0.00 C ATOM 0 H THR A 19 8.800 -0.702 6.892 1.00 0.00 H new ATOM 0 HA THR A 19 7.044 -0.449 5.534 1.00 0.00 H new ATOM 0 HB THR A 19 5.007 -0.741 7.729 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.036 -3.031 7.210 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.643 -1.628 5.870 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.240 0.012 5.522 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.015 -1.397 4.760 1.00 0.00 H new ATOM 285 N GLU A 20 5.720 1.472 7.895 1.00 0.00 N ATOM 286 CA GLU A 20 5.378 2.853 8.271 1.00 0.00 C ATOM 287 C GLU A 20 5.369 3.796 7.068 1.00 0.00 C ATOM 288 O GLU A 20 6.416 4.294 6.652 1.00 0.00 O ATOM 289 CB GLU A 20 6.364 3.369 9.320 1.00 0.00 C ATOM 290 CG GLU A 20 5.698 4.055 10.499 1.00 0.00 C ATOM 291 CD GLU A 20 5.657 3.179 11.737 1.00 0.00 C ATOM 292 OE1 GLU A 20 4.846 2.231 11.766 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.439 3.442 12.675 1.00 0.00 O ATOM 0 H GLU A 20 5.334 0.765 8.520 1.00 0.00 H new ATOM 0 HA GLU A 20 4.369 2.835 8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.961 2.534 9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.052 4.068 8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.233 4.977 10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.682 4.337 10.224 1.00 0.00 H new ATOM 300 N ILE A 21 4.186 4.039 6.512 1.00 0.00 N ATOM 301 CA ILE A 21 4.055 4.917 5.353 1.00 0.00 C ATOM 302 C ILE A 21 4.693 6.277 5.602 1.00 0.00 C ATOM 303 O ILE A 21 4.184 7.082 6.383 1.00 0.00 O ATOM 304 CB ILE A 21 2.582 5.133 4.954 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.746 3.886 5.253 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.489 5.495 3.481 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.591 4.143 6.199 1.00 0.00 C ATOM 0 H ILE A 21 3.307 3.642 6.844 1.00 0.00 H new ATOM 0 HA ILE A 21 4.576 4.414 4.539 1.00 0.00 H new ATOM 0 HB ILE A 21 2.182 5.956 5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.356 3.487 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.392 3.120 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.444 5.646 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.048 6.412 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.908 4.687 2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.043 3.215 6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.975 4.513 7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.077 4.886 5.764 1.00 0.00 H new ATOM 319 N LEU A 22 5.812 6.526 4.926 1.00 0.00 N ATOM 320 CA LEU A 22 6.527 7.790 5.062 1.00 0.00 C ATOM 321 C LEU A 22 5.650 8.959 4.624 1.00 0.00 C ATOM 322 O LEU A 22 5.733 10.050 5.190 1.00 0.00 O ATOM 323 CB LEU A 22 7.821 7.781 4.238 1.00 0.00 C ATOM 324 CG LEU A 22 8.425 6.399 3.963 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.602 6.518 3.008 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.857 5.735 5.263 1.00 0.00 C ATOM 0 H LEU A 22 6.243 5.867 4.278 1.00 0.00 H new ATOM 0 HA LEU A 22 6.781 7.912 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.625 8.268 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.565 8.385 4.757 1.00 0.00 H new ATOM 0 HG LEU A 22 7.662 5.775 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.021 5.529 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.264 6.952 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.366 7.158 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.283 4.755 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.605 6.355 5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.993 5.619 5.917 1.00 0.00 H new ATOM 338 N VAL A 23 4.810 8.728 3.612 1.00 0.00 N ATOM 339 CA VAL A 23 3.920 9.767 3.102 1.00 0.00 C ATOM 340 C VAL A 23 3.044 9.238 1.965 1.00 0.00 C ATOM 341 O VAL A 23 3.355 8.217 1.350 1.00 0.00 O ATOM 342 CB VAL A 23 4.718 11.002 2.610 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.728 11.099 1.089 1.00 0.00 C ATOM 344 CG2 VAL A 23 4.156 12.274 3.225 1.00 0.00 C ATOM 0 H VAL A 23 4.730 7.832 3.132 1.00 0.00 H new ATOM 0 HA VAL A 23 3.278 10.070 3.929 1.00 0.00 H new ATOM 0 HB VAL A 23 5.751 10.880 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.297 11.977 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.189 10.204 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.705 11.185 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.726 13.132 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.111 12.388 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.227 12.215 4.311 1.00 0.00 H new ATOM 354 N ALA A 24 1.957 9.951 1.686 1.00 0.00 N ATOM 355 CA ALA A 24 1.040 9.576 0.616 1.00 0.00 C ATOM 356 C ALA A 24 0.470 10.823 -0.051 1.00 0.00 C ATOM 357 O ALA A 24 0.432 11.895 0.554 1.00 0.00 O ATOM 358 CB ALA A 24 -0.078 8.694 1.151 1.00 0.00 C ATOM 0 H ALA A 24 1.689 10.797 2.190 1.00 0.00 H new ATOM 0 HA ALA A 24 1.593 9.006 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.751 8.426 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.348 7.789 1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.633 9.235 1.917 1.00 0.00 H new ATOM 364 N ASN A 25 0.048 10.692 -1.303 1.00 0.00 N ATOM 365 CA ASN A 25 -0.494 11.830 -2.042 1.00 0.00 C ATOM 366 C ASN A 25 -2.017 11.897 -1.964 1.00 0.00 C ATOM 367 O ASN A 25 -2.652 11.154 -1.217 1.00 0.00 O ATOM 368 CB ASN A 25 -0.048 11.773 -3.503 1.00 0.00 C ATOM 369 CG ASN A 25 -0.807 10.730 -4.298 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.918 9.577 -3.884 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.336 11.129 -5.449 1.00 0.00 N ATOM 0 H ASN A 25 0.069 9.817 -1.826 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.102 12.734 -1.575 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.191 12.751 -3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.019 11.554 -3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.858 10.470 -6.026 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.220 12.095 -5.756 1.00 0.00 H new ATOM 378 N ASP A 26 -2.586 12.819 -2.741 1.00 0.00 N ATOM 379 CA ASP A 26 -4.033 13.020 -2.762 1.00 0.00 C ATOM 380 C ASP A 26 -4.762 11.772 -3.242 1.00 0.00 C ATOM 381 O ASP A 26 -5.423 11.113 -2.448 1.00 0.00 O ATOM 382 CB ASP A 26 -4.395 14.215 -3.651 1.00 0.00 C ATOM 383 CG ASP A 26 -3.308 14.542 -4.657 1.00 0.00 C ATOM 384 OD1 ASP A 26 -3.288 13.913 -5.735 1.00 0.00 O ATOM 385 OD2 ASP A 26 -2.479 15.428 -4.367 1.00 0.00 O ATOM 0 H ASP A 26 -2.066 13.438 -3.363 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.353 13.226 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.323 14.001 -4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.579 15.087 -3.024 1.00 0.00 H new ATOM 390 N LYS A 27 -4.667 11.469 -4.537 1.00 0.00 N ATOM 391 CA LYS A 27 -5.353 10.305 -5.103 1.00 0.00 C ATOM 392 C LYS A 27 -5.350 9.130 -4.131 1.00 0.00 C ATOM 393 O LYS A 27 -6.412 8.687 -3.698 1.00 0.00 O ATOM 394 CB LYS A 27 -4.728 9.892 -6.431 1.00 0.00 C ATOM 395 CG LYS A 27 -5.546 8.854 -7.186 1.00 0.00 C ATOM 396 CD LYS A 27 -6.613 9.504 -8.055 1.00 0.00 C ATOM 397 CE LYS A 27 -7.846 9.871 -7.247 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.817 8.743 -7.167 1.00 0.00 N ATOM 0 H LYS A 27 -4.125 12.009 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.388 10.595 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.608 10.775 -7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.730 9.494 -6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.885 8.253 -7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.018 8.175 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.205 10.399 -8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.893 8.823 -8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.546 10.163 -6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.331 10.736 -7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.643 9.035 -6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.123 8.480 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.363 7.925 -6.712 1.00 0.00 H new ATOM 412 N ALA A 28 -4.163 8.636 -3.780 1.00 0.00 N ATOM 413 CA ALA A 28 -4.054 7.523 -2.837 1.00 0.00 C ATOM 414 C ALA A 28 -4.951 7.748 -1.624 1.00 0.00 C ATOM 415 O ALA A 28 -5.764 6.895 -1.266 1.00 0.00 O ATOM 416 CB ALA A 28 -2.610 7.345 -2.396 1.00 0.00 C ATOM 0 H ALA A 28 -3.271 8.985 -4.131 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.383 6.615 -3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.544 6.513 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.987 7.137 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.263 8.257 -1.911 1.00 0.00 H new ATOM 422 N CYS A 29 -4.798 8.909 -0.998 1.00 0.00 N ATOM 423 CA CYS A 29 -5.595 9.261 0.172 1.00 0.00 C ATOM 424 C CYS A 29 -7.079 9.223 -0.169 1.00 0.00 C ATOM 425 O CYS A 29 -7.901 8.785 0.635 1.00 0.00 O ATOM 426 CB CYS A 29 -5.194 10.649 0.677 1.00 0.00 C ATOM 427 SG CYS A 29 -6.393 11.954 0.309 1.00 0.00 S ATOM 0 H CYS A 29 -4.128 9.624 -1.281 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.407 8.534 0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.047 10.601 1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.234 10.919 0.236 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.466 12.126 -0.978 1.00 0.00 H new ATOM 433 N GLY A 30 -7.410 9.667 -1.377 1.00 0.00 N ATOM 434 CA GLY A 30 -8.791 9.656 -1.821 1.00 0.00 C ATOM 435 C GLY A 30 -9.318 8.242 -1.911 1.00 0.00 C ATOM 436 O GLY A 30 -10.477 7.976 -1.595 1.00 0.00 O ATOM 0 H GLY A 30 -6.745 10.035 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.404 10.233 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.868 10.140 -2.795 1.00 0.00 H new ATOM 440 N LEU A 31 -8.438 7.336 -2.329 1.00 0.00 N ATOM 441 CA LEU A 31 -8.772 5.926 -2.453 1.00 0.00 C ATOM 442 C LEU A 31 -9.436 5.442 -1.164 1.00 0.00 C ATOM 443 O LEU A 31 -10.565 4.952 -1.183 1.00 0.00 O ATOM 444 CB LEU A 31 -7.492 5.134 -2.762 1.00 0.00 C ATOM 445 CG LEU A 31 -7.620 3.610 -2.902 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.149 2.937 -1.626 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.040 3.186 -3.251 1.00 0.00 C ATOM 0 H LEU A 31 -7.478 7.561 -2.590 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.477 5.772 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.071 5.523 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.770 5.340 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.986 3.292 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.241 1.856 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.106 3.196 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.760 3.275 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.084 2.101 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.721 3.514 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.333 3.640 -4.198 1.00 0.00 H new ATOM 459 N LEU A 32 -8.740 5.609 -0.039 1.00 0.00 N ATOM 460 CA LEU A 32 -9.296 5.206 1.250 1.00 0.00 C ATOM 461 C LEU A 32 -9.995 6.381 1.929 1.00 0.00 C ATOM 462 O LEU A 32 -11.224 6.437 1.984 1.00 0.00 O ATOM 463 CB LEU A 32 -8.228 4.636 2.194 1.00 0.00 C ATOM 464 CG LEU A 32 -6.781 4.685 1.700 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.260 6.113 1.689 1.00 0.00 C ATOM 466 CD2 LEU A 32 -5.913 3.806 2.588 1.00 0.00 C ATOM 0 H LEU A 32 -7.805 6.014 0.006 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.019 4.417 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.284 5.177 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.481 3.597 2.407 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.744 4.310 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.229 6.122 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.877 6.720 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.300 6.523 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.882 3.840 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.959 4.168 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.276 2.779 2.549 1.00 0.00 H new ATOM 478 N GLY A 33 -9.204 7.315 2.448 1.00 0.00 N ATOM 479 CA GLY A 33 -9.760 8.475 3.120 1.00 0.00 C ATOM 480 C GLY A 33 -8.775 9.100 4.085 1.00 0.00 C ATOM 481 O GLY A 33 -9.166 9.747 5.056 1.00 0.00 O ATOM 0 H GLY A 33 -8.185 7.289 2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.059 9.215 2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.661 8.184 3.660 1.00 0.00 H new ATOM 485 N TYR A 34 -7.492 8.899 3.813 1.00 0.00 N ATOM 486 CA TYR A 34 -6.431 9.435 4.656 1.00 0.00 C ATOM 487 C TYR A 34 -5.723 10.594 3.957 1.00 0.00 C ATOM 488 O TYR A 34 -6.351 11.372 3.238 1.00 0.00 O ATOM 489 CB TYR A 34 -5.420 8.332 4.983 1.00 0.00 C ATOM 490 CG TYR A 34 -5.946 7.261 5.911 1.00 0.00 C ATOM 491 CD1 TYR A 34 -6.934 6.377 5.496 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.451 7.134 7.200 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.410 5.396 6.342 1.00 0.00 C ATOM 494 CE2 TYR A 34 -5.923 6.155 8.053 1.00 0.00 C ATOM 495 CZ TYR A 34 -6.903 5.289 7.618 1.00 0.00 C ATOM 496 OH TYR A 34 -7.376 4.311 8.464 1.00 0.00 O ATOM 0 H TYR A 34 -7.160 8.365 3.010 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.875 9.805 5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.097 7.864 4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.538 8.786 5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.335 6.459 4.497 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.683 7.812 7.543 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.177 4.715 6.005 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.527 6.069 9.054 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.843 3.496 8.353 1.00 0.00 H new ATOM 506 N SER A 35 -4.408 10.688 4.168 1.00 0.00 N ATOM 507 CA SER A 35 -3.583 11.727 3.558 1.00 0.00 C ATOM 508 C SER A 35 -2.167 11.669 4.115 1.00 0.00 C ATOM 509 O SER A 35 -1.919 11.010 5.123 1.00 0.00 O ATOM 510 CB SER A 35 -4.167 13.118 3.779 1.00 0.00 C ATOM 511 OG SER A 35 -4.278 13.421 5.159 1.00 0.00 O ATOM 0 H SER A 35 -3.888 10.046 4.766 1.00 0.00 H new ATOM 0 HA SER A 35 -3.562 11.539 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.535 13.861 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.150 13.180 3.312 1.00 0.00 H new ATOM 0 HG SER A 35 -5.225 13.480 5.406 1.00 0.00 H new ATOM 517 N SER A 36 -1.245 12.354 3.452 1.00 0.00 N ATOM 518 CA SER A 36 0.151 12.373 3.877 1.00 0.00 C ATOM 519 C SER A 36 0.288 12.603 5.382 1.00 0.00 C ATOM 520 O SER A 36 1.199 12.072 6.013 1.00 0.00 O ATOM 521 CB SER A 36 0.913 13.463 3.120 1.00 0.00 C ATOM 522 OG SER A 36 0.071 14.128 2.195 1.00 0.00 O ATOM 0 H SER A 36 -1.438 12.905 2.616 1.00 0.00 H new ATOM 0 HA SER A 36 0.576 11.395 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.321 14.184 3.828 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.758 13.020 2.593 1.00 0.00 H new ATOM 0 HG SER A 36 -0.040 13.572 1.396 1.00 0.00 H new ATOM 528 N GLN A 37 -0.604 13.412 5.948 1.00 0.00 N ATOM 529 CA GLN A 37 -0.557 13.722 7.375 1.00 0.00 C ATOM 530 C GLN A 37 -1.550 12.897 8.196 1.00 0.00 C ATOM 531 O GLN A 37 -1.490 12.902 9.428 1.00 0.00 O ATOM 532 CB GLN A 37 -0.828 15.211 7.592 1.00 0.00 C ATOM 533 CG GLN A 37 -2.229 15.643 7.191 1.00 0.00 C ATOM 534 CD GLN A 37 -2.228 16.752 6.158 1.00 0.00 C ATOM 535 OE1 GLN A 37 -3.072 17.648 6.192 1.00 0.00 O ATOM 536 NE2 GLN A 37 -1.276 16.698 5.232 1.00 0.00 N ATOM 0 H GLN A 37 -1.366 13.864 5.442 1.00 0.00 H new ATOM 0 HA GLN A 37 0.443 13.463 7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.671 15.450 8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.102 15.790 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.770 14.784 6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.769 15.978 8.077 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.597 15.937 5.242 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.224 17.418 4.511 1.00 0.00 H new ATOM 545 N ASP A 38 -2.479 12.215 7.530 1.00 0.00 N ATOM 546 CA ASP A 38 -3.489 11.426 8.238 1.00 0.00 C ATOM 547 C ASP A 38 -3.198 9.924 8.213 1.00 0.00 C ATOM 548 O ASP A 38 -3.878 9.152 8.888 1.00 0.00 O ATOM 549 CB ASP A 38 -4.873 11.689 7.645 1.00 0.00 C ATOM 550 CG ASP A 38 -5.485 12.980 8.154 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.517 13.176 9.388 1.00 0.00 O ATOM 552 OD2 ASP A 38 -5.934 13.795 7.321 1.00 0.00 O ATOM 0 H ASP A 38 -2.555 12.191 6.513 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.459 11.744 9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.798 11.730 6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.533 10.857 7.888 1.00 0.00 H new ATOM 557 N LEU A 39 -2.199 9.506 7.444 1.00 0.00 N ATOM 558 CA LEU A 39 -1.858 8.086 7.360 1.00 0.00 C ATOM 559 C LEU A 39 -0.392 7.844 7.705 1.00 0.00 C ATOM 560 O LEU A 39 0.038 6.701 7.861 1.00 0.00 O ATOM 561 CB LEU A 39 -2.173 7.536 5.963 1.00 0.00 C ATOM 562 CG LEU A 39 -1.384 8.168 4.818 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.178 7.312 4.468 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.278 8.354 3.603 1.00 0.00 C ATOM 0 H LEU A 39 -1.616 10.120 6.875 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.468 7.557 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.985 6.462 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.237 7.673 5.768 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.028 9.147 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.373 7.777 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.471 7.224 5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.512 6.320 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.703 8.805 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.660 7.385 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.113 9.005 3.862 1.00 0.00 H new ATOM 576 N ILE A 40 0.369 8.925 7.830 1.00 0.00 N ATOM 577 CA ILE A 40 1.784 8.822 8.165 1.00 0.00 C ATOM 578 C ILE A 40 1.960 8.336 9.604 1.00 0.00 C ATOM 579 O ILE A 40 1.220 8.740 10.501 1.00 0.00 O ATOM 580 CB ILE A 40 2.503 10.176 7.963 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.981 9.957 7.609 1.00 0.00 C ATOM 582 CG2 ILE A 40 2.359 11.067 9.190 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.849 9.529 8.774 1.00 0.00 C ATOM 0 H ILE A 40 0.032 9.879 7.705 1.00 0.00 H new ATOM 0 HA ILE A 40 2.237 8.094 7.492 1.00 0.00 H new ATOM 0 HB ILE A 40 2.026 10.689 7.128 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.046 9.201 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.383 10.881 7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.875 12.011 9.017 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.303 11.260 9.378 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.796 10.568 10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.876 9.397 8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.819 10.294 9.550 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.477 8.587 9.178 1.00 0.00 H new ATOM 595 N GLY A 41 2.933 7.456 9.811 1.00 0.00 N ATOM 596 CA GLY A 41 3.178 6.924 11.139 1.00 0.00 C ATOM 597 C GLY A 41 2.657 5.509 11.289 1.00 0.00 C ATOM 598 O GLY A 41 3.166 4.733 12.097 1.00 0.00 O ATOM 0 H GLY A 41 3.556 7.102 9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.248 6.940 11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.702 7.566 11.880 1.00 0.00 H new ATOM 602 N GLN A 42 1.638 5.174 10.502 1.00 0.00 N ATOM 603 CA GLN A 42 1.047 3.843 10.541 1.00 0.00 C ATOM 604 C GLN A 42 1.497 3.029 9.334 1.00 0.00 C ATOM 605 O GLN A 42 2.387 3.443 8.595 1.00 0.00 O ATOM 606 CB GLN A 42 -0.482 3.933 10.574 1.00 0.00 C ATOM 607 CG GLN A 42 -1.005 5.130 11.348 1.00 0.00 C ATOM 608 CD GLN A 42 -2.464 5.424 11.056 1.00 0.00 C ATOM 609 OE1 GLN A 42 -3.360 4.757 11.573 1.00 0.00 O ATOM 610 NE2 GLN A 42 -2.709 6.428 10.220 1.00 0.00 N ATOM 0 H GLN A 42 1.205 5.808 9.830 1.00 0.00 H new ATOM 0 HA GLN A 42 1.385 3.344 11.449 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.857 3.980 9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.882 3.021 11.018 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.882 4.949 12.416 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.406 6.007 11.102 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.935 6.954 9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.671 6.672 9.984 1.00 0.00 H new ATOM 619 N LYS A 43 0.874 1.876 9.139 1.00 0.00 N ATOM 620 CA LYS A 43 1.205 1.009 8.015 1.00 0.00 C ATOM 621 C LYS A 43 0.023 0.910 7.059 1.00 0.00 C ATOM 622 O LYS A 43 -1.099 0.644 7.485 1.00 0.00 O ATOM 623 CB LYS A 43 1.596 -0.384 8.510 1.00 0.00 C ATOM 624 CG LYS A 43 2.612 -0.366 9.642 1.00 0.00 C ATOM 625 CD LYS A 43 3.287 -1.718 9.804 1.00 0.00 C ATOM 626 CE LYS A 43 2.499 -2.625 10.737 1.00 0.00 C ATOM 627 NZ LYS A 43 3.318 -3.771 11.218 1.00 0.00 N ATOM 0 H LYS A 43 0.136 1.518 9.745 1.00 0.00 H new ATOM 0 HA LYS A 43 2.053 1.442 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.700 -0.906 8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.004 -0.955 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.365 0.397 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.116 -0.091 10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.387 -2.195 8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.295 -1.578 10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.145 -2.048 11.591 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.617 -3.001 10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.746 -4.365 11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.635 -4.337 10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.146 -3.413 11.735 1.00 0.00 H new ATOM 641 N LEU A 44 0.275 1.153 5.775 1.00 0.00 N ATOM 642 CA LEU A 44 -0.780 1.111 4.767 1.00 0.00 C ATOM 643 C LEU A 44 -1.652 -0.134 4.910 1.00 0.00 C ATOM 644 O LEU A 44 -2.871 -0.052 4.795 1.00 0.00 O ATOM 645 CB LEU A 44 -0.196 1.170 3.349 1.00 0.00 C ATOM 646 CG LEU A 44 1.280 0.783 3.206 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.503 -0.674 3.576 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.751 1.045 1.784 1.00 0.00 C ATOM 0 H LEU A 44 1.199 1.381 5.409 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.404 1.989 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.785 0.514 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.322 2.184 2.969 1.00 0.00 H new ATOM 0 HG LEU A 44 1.862 1.397 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.559 -0.920 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.199 -0.837 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.911 -1.311 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.801 0.767 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.156 0.453 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.634 2.103 1.551 1.00 0.00 H new ATOM 660 N THR A 45 -1.020 -1.278 5.145 1.00 0.00 N ATOM 661 CA THR A 45 -1.732 -2.547 5.282 1.00 0.00 C ATOM 662 C THR A 45 -2.849 -2.477 6.314 1.00 0.00 C ATOM 663 O THR A 45 -3.794 -3.265 6.269 1.00 0.00 O ATOM 664 CB THR A 45 -0.765 -3.677 5.665 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.273 -3.476 6.996 1.00 0.00 O ATOM 666 CG2 THR A 45 0.395 -3.719 4.692 1.00 0.00 C ATOM 0 H THR A 45 -0.008 -1.354 5.246 1.00 0.00 H new ATOM 0 HA THR A 45 -2.179 -2.755 4.310 1.00 0.00 H new ATOM 0 HB THR A 45 -1.301 -4.625 5.624 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.353 -4.194 7.225 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.075 -4.523 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.019 -3.896 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.927 -2.768 4.719 1.00 0.00 H new ATOM 674 N GLN A 46 -2.749 -1.529 7.234 1.00 0.00 N ATOM 675 CA GLN A 46 -3.765 -1.362 8.263 1.00 0.00 C ATOM 676 C GLN A 46 -5.101 -1.040 7.613 1.00 0.00 C ATOM 677 O GLN A 46 -6.163 -1.253 8.193 1.00 0.00 O ATOM 678 CB GLN A 46 -3.369 -0.251 9.236 1.00 0.00 C ATOM 679 CG GLN A 46 -3.741 -0.545 10.679 1.00 0.00 C ATOM 680 CD GLN A 46 -2.560 -0.415 11.624 1.00 0.00 C ATOM 681 OE1 GLN A 46 -2.429 -1.178 12.580 1.00 0.00 O ATOM 682 NE2 GLN A 46 -1.694 0.559 11.361 1.00 0.00 N ATOM 0 H GLN A 46 -1.977 -0.865 7.289 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.853 -2.292 8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.293 -0.091 9.173 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.849 0.678 8.928 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.530 0.138 10.993 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.147 -1.554 10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.841 1.169 10.557 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.882 0.696 11.963 1.00 0.00 H new ATOM 691 N PHE A 47 -5.025 -0.500 6.402 1.00 0.00 N ATOM 692 CA PHE A 47 -6.211 -0.117 5.652 1.00 0.00 C ATOM 693 C PHE A 47 -6.361 -0.955 4.381 1.00 0.00 C ATOM 694 O PHE A 47 -6.616 -0.415 3.305 1.00 0.00 O ATOM 695 CB PHE A 47 -6.138 1.371 5.287 1.00 0.00 C ATOM 696 CG PHE A 47 -5.090 2.142 6.047 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.183 2.307 7.421 1.00 0.00 C ATOM 698 CD2 PHE A 47 -4.011 2.704 5.381 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.218 3.015 8.115 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.045 3.412 6.069 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.149 3.569 7.438 1.00 0.00 C ATOM 0 H PHE A 47 -4.146 -0.317 5.917 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.082 -0.298 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.938 1.462 4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.111 1.826 5.469 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.018 1.878 7.955 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.925 2.587 4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.300 3.134 9.185 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.209 3.842 5.538 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.396 4.124 7.978 1.00 0.00 H new ATOM 711 N PHE A 48 -6.209 -2.274 4.511 1.00 0.00 N ATOM 712 CA PHE A 48 -6.336 -3.180 3.368 1.00 0.00 C ATOM 713 C PHE A 48 -6.879 -4.539 3.803 1.00 0.00 C ATOM 714 O PHE A 48 -6.650 -4.971 4.934 1.00 0.00 O ATOM 715 CB PHE A 48 -4.987 -3.346 2.659 1.00 0.00 C ATOM 716 CG PHE A 48 -4.520 -2.084 1.988 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.239 -1.532 0.944 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.370 -1.445 2.414 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.820 -0.367 0.334 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.946 -0.276 1.810 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.672 0.262 0.768 1.00 0.00 C ATOM 0 H PHE A 48 -5.998 -2.738 5.395 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.046 -2.739 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.238 -3.665 3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.068 -4.139 1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.140 -2.019 0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.797 -1.864 3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.390 0.051 -0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.048 0.215 2.154 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.342 1.174 0.293 1.00 0.00 H new ATOM 731 N LEU A 49 -7.603 -5.196 2.888 1.00 0.00 N ATOM 732 CA LEU A 49 -8.215 -6.510 3.128 1.00 0.00 C ATOM 733 C LEU A 49 -8.470 -6.760 4.616 1.00 0.00 C ATOM 734 O LEU A 49 -9.423 -6.225 5.187 1.00 0.00 O ATOM 735 CB LEU A 49 -7.382 -7.668 2.530 1.00 0.00 C ATOM 736 CG LEU A 49 -5.950 -7.353 2.064 1.00 0.00 C ATOM 737 CD1 LEU A 49 -5.935 -6.286 0.979 1.00 0.00 C ATOM 738 CD2 LEU A 49 -5.070 -6.947 3.237 1.00 0.00 C ATOM 0 H LEU A 49 -7.782 -4.828 1.954 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.176 -6.488 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.325 -8.460 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.931 -8.071 1.679 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.540 -8.266 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.907 -6.090 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.507 -6.634 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.380 -5.369 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.064 -6.730 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.485 -6.059 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.030 -7.761 3.961 1.00 0.00 H new ATOM 750 N ARG A 50 -7.618 -7.567 5.243 1.00 0.00 N ATOM 751 CA ARG A 50 -7.761 -7.873 6.663 1.00 0.00 C ATOM 752 C ARG A 50 -6.788 -7.038 7.487 1.00 0.00 C ATOM 753 O ARG A 50 -5.601 -7.347 7.570 1.00 0.00 O ATOM 754 CB ARG A 50 -7.525 -9.362 6.914 1.00 0.00 C ATOM 755 CG ARG A 50 -8.636 -10.026 7.713 1.00 0.00 C ATOM 756 CD ARG A 50 -8.233 -11.417 8.174 1.00 0.00 C ATOM 757 NE ARG A 50 -9.278 -12.057 8.968 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.277 -13.348 9.287 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.288 -14.132 8.880 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.262 -13.855 10.014 1.00 0.00 N ATOM 0 H ARG A 50 -6.823 -8.020 4.791 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.778 -7.626 6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.422 -9.872 5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.581 -9.488 7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.881 -9.411 8.579 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.537 -10.090 7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.009 -12.036 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.319 -11.352 8.764 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.053 -11.481 9.297 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.527 -13.745 8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.288 -15.122 9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.024 -13.255 10.330 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.259 -14.846 10.257 1.00 0.00 H new ATOM 774 N SER A 51 -7.305 -5.970 8.081 1.00 0.00 N ATOM 775 CA SER A 51 -6.495 -5.067 8.890 1.00 0.00 C ATOM 776 C SER A 51 -6.037 -5.718 10.193 1.00 0.00 C ATOM 777 O SER A 51 -5.293 -5.113 10.964 1.00 0.00 O ATOM 778 CB SER A 51 -7.287 -3.797 9.202 1.00 0.00 C ATOM 779 OG SER A 51 -8.159 -3.996 10.300 1.00 0.00 O ATOM 0 H SER A 51 -8.288 -5.706 8.017 1.00 0.00 H new ATOM 0 HA SER A 51 -5.605 -4.820 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.599 -2.981 9.423 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.863 -3.499 8.326 1.00 0.00 H new ATOM 0 HG SER A 51 -8.652 -3.169 10.480 1.00 0.00 H new ATOM 785 N ASP A 52 -6.494 -6.941 10.451 1.00 0.00 N ATOM 786 CA ASP A 52 -6.128 -7.635 11.682 1.00 0.00 C ATOM 787 C ASP A 52 -4.891 -8.518 11.517 1.00 0.00 C ATOM 788 O ASP A 52 -3.826 -8.210 12.052 1.00 0.00 O ATOM 789 CB ASP A 52 -7.304 -8.480 12.175 1.00 0.00 C ATOM 790 CG ASP A 52 -7.773 -8.070 13.557 1.00 0.00 C ATOM 791 OD1 ASP A 52 -8.195 -6.907 13.720 1.00 0.00 O ATOM 792 OD2 ASP A 52 -7.718 -8.913 14.477 1.00 0.00 O ATOM 0 H ASP A 52 -7.111 -7.467 9.832 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.882 -6.869 12.418 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.132 -8.390 11.472 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.012 -9.530 12.190 1.00 0.00 H new ATOM 797 N SER A 53 -5.043 -9.630 10.800 1.00 0.00 N ATOM 798 CA SER A 53 -3.939 -10.569 10.603 1.00 0.00 C ATOM 799 C SER A 53 -3.163 -10.315 9.310 1.00 0.00 C ATOM 800 O SER A 53 -1.937 -10.218 9.328 1.00 0.00 O ATOM 801 CB SER A 53 -4.469 -12.005 10.608 1.00 0.00 C ATOM 802 OG SER A 53 -5.492 -12.177 9.642 1.00 0.00 O ATOM 0 H SER A 53 -5.916 -9.903 10.347 1.00 0.00 H new ATOM 0 HA SER A 53 -3.245 -10.417 11.430 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.652 -12.698 10.404 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.855 -12.250 11.598 1.00 0.00 H new ATOM 0 HG SER A 53 -5.811 -13.103 9.665 1.00 0.00 H new ATOM 808 N ASP A 54 -3.881 -10.249 8.193 1.00 0.00 N ATOM 809 CA ASP A 54 -3.269 -10.052 6.874 1.00 0.00 C ATOM 810 C ASP A 54 -2.161 -8.997 6.873 1.00 0.00 C ATOM 811 O ASP A 54 -1.230 -9.080 6.073 1.00 0.00 O ATOM 812 CB ASP A 54 -4.338 -9.671 5.851 1.00 0.00 C ATOM 813 CG ASP A 54 -3.993 -10.154 4.454 1.00 0.00 C ATOM 814 OD1 ASP A 54 -2.947 -9.729 3.921 1.00 0.00 O ATOM 815 OD2 ASP A 54 -4.769 -10.958 3.895 1.00 0.00 O ATOM 0 H ASP A 54 -4.898 -10.329 8.171 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.806 -11.001 6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.296 -10.095 6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.458 -8.588 5.840 1.00 0.00 H new ATOM 820 N VAL A 55 -2.264 -8.001 7.745 1.00 0.00 N ATOM 821 CA VAL A 55 -1.259 -6.939 7.799 1.00 0.00 C ATOM 822 C VAL A 55 0.036 -7.409 8.461 1.00 0.00 C ATOM 823 O VAL A 55 1.123 -6.954 8.103 1.00 0.00 O ATOM 824 CB VAL A 55 -1.794 -5.691 8.536 1.00 0.00 C ATOM 825 CG1 VAL A 55 -3.253 -5.459 8.192 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.614 -5.817 10.043 1.00 0.00 C ATOM 0 H VAL A 55 -3.024 -7.904 8.419 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.039 -6.672 6.765 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.214 -4.831 8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.615 -4.576 8.719 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.354 -5.307 7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.840 -6.327 8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.001 -4.923 10.532 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.158 -6.691 10.403 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.555 -5.928 10.275 1.00 0.00 H new ATOM 836 N VAL A 56 -0.084 -8.309 9.427 1.00 0.00 N ATOM 837 CA VAL A 56 1.078 -8.825 10.141 1.00 0.00 C ATOM 838 C VAL A 56 1.805 -9.898 9.333 1.00 0.00 C ATOM 839 O VAL A 56 2.998 -10.120 9.524 1.00 0.00 O ATOM 840 CB VAL A 56 0.679 -9.413 11.508 1.00 0.00 C ATOM 841 CG1 VAL A 56 1.913 -9.682 12.354 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.280 -8.481 12.232 1.00 0.00 C ATOM 0 H VAL A 56 -0.975 -8.698 9.735 1.00 0.00 H new ATOM 0 HA VAL A 56 1.749 -7.980 10.293 1.00 0.00 H new ATOM 0 HB VAL A 56 0.169 -10.361 11.339 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.611 -10.097 13.316 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.559 -10.392 11.839 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.454 -8.750 12.515 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.550 -8.914 13.195 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.201 -7.515 12.390 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.179 -8.345 11.631 1.00 0.00 H new ATOM 852 N GLU A 57 1.082 -10.562 8.435 1.00 0.00 N ATOM 853 CA GLU A 57 1.671 -11.613 7.608 1.00 0.00 C ATOM 854 C GLU A 57 2.240 -11.047 6.311 1.00 0.00 C ATOM 855 O GLU A 57 3.329 -11.431 5.878 1.00 0.00 O ATOM 856 CB GLU A 57 0.638 -12.697 7.284 1.00 0.00 C ATOM 857 CG GLU A 57 -0.648 -12.585 8.086 1.00 0.00 C ATOM 858 CD GLU A 57 -0.888 -13.788 8.976 1.00 0.00 C ATOM 859 OE1 GLU A 57 0.064 -14.219 9.662 1.00 0.00 O ATOM 860 OE2 GLU A 57 -2.026 -14.301 8.986 1.00 0.00 O ATOM 0 H GLU A 57 0.091 -10.392 8.261 1.00 0.00 H new ATOM 0 HA GLU A 57 2.485 -12.056 8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.397 -12.649 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.084 -13.675 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.611 -11.685 8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.489 -12.470 7.402 1.00 0.00 H new ATOM 867 N ALA A 58 1.492 -10.142 5.690 1.00 0.00 N ATOM 868 CA ALA A 58 1.911 -9.526 4.433 1.00 0.00 C ATOM 869 C ALA A 58 3.289 -8.885 4.555 1.00 0.00 C ATOM 870 O ALA A 58 4.074 -8.896 3.605 1.00 0.00 O ATOM 871 CB ALA A 58 0.888 -8.495 3.986 1.00 0.00 C ATOM 0 H ALA A 58 0.589 -9.817 6.036 1.00 0.00 H new ATOM 0 HA ALA A 58 1.976 -10.313 3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.212 -8.044 3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.077 -8.980 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.794 -7.721 4.748 1.00 0.00 H new ATOM 1086 N PHE A 74 0.506 -9.098 -0.226 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.029 -7.761 -0.454 1.00 0.00 C ATOM 1088 C PHE A 74 0.710 -7.092 -1.620 1.00 0.00 C ATOM 1089 O PHE A 74 0.997 -5.898 -1.605 1.00 0.00 O ATOM 1090 CB PHE A 74 0.069 -6.928 0.836 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.392 -5.501 0.697 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.701 -5.192 0.338 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.499 -4.464 0.923 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -2.099 -3.875 0.209 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.103 -3.149 0.793 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.197 -2.855 0.435 1.00 0.00 C ATOM 0 HA PHE A 74 -1.082 -7.831 -0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.523 -7.413 1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.104 -6.930 1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.410 -5.987 0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.517 -4.688 1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.117 -3.644 -0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.809 -2.351 0.971 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.509 -1.826 0.332 1.00 0.00 H new ATOM 1106 N GLY A 75 1.007 -7.892 -2.639 1.00 0.00 N ATOM 1107 CA GLY A 75 1.694 -7.394 -3.818 1.00 0.00 C ATOM 1108 C GLY A 75 1.026 -7.883 -5.086 1.00 0.00 C ATOM 1109 O GLY A 75 1.680 -8.111 -6.103 1.00 0.00 O ATOM 0 H GLY A 75 0.782 -8.886 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.702 -6.304 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.734 -7.721 -3.802 1.00 0.00 H new ATOM 1113 N THR A 76 -0.289 -8.048 -5.002 1.00 0.00 N ATOM 1114 CA THR A 76 -1.094 -8.519 -6.121 1.00 0.00 C ATOM 1115 C THR A 76 -2.490 -7.913 -6.070 1.00 0.00 C ATOM 1116 O THR A 76 -2.883 -7.334 -5.057 1.00 0.00 O ATOM 1117 CB THR A 76 -1.216 -10.054 -6.127 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.169 -10.634 -5.339 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.147 -10.595 -7.547 1.00 0.00 C ATOM 0 H THR A 76 -0.826 -7.859 -4.156 1.00 0.00 H new ATOM 0 HA THR A 76 -0.587 -8.204 -7.033 1.00 0.00 H new ATOM 0 HB THR A 76 -2.182 -10.321 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.256 -11.610 -5.347 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.235 -11.681 -7.527 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.962 -10.175 -8.136 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.194 -10.317 -7.997 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.242 -8.053 -7.155 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.597 -7.522 -7.200 1.00 0.00 C ATOM 1129 C VAL A 77 -5.465 -8.245 -6.176 1.00 0.00 C ATOM 1130 O VAL A 77 -5.925 -9.362 -6.411 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.223 -7.684 -8.599 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -6.581 -7.002 -8.665 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -4.291 -7.133 -9.667 1.00 0.00 C ATOM 0 H VAL A 77 -2.940 -8.525 -8.007 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.546 -6.458 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.370 -8.748 -8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.004 -7.129 -9.661 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.248 -7.448 -7.928 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.465 -5.939 -8.453 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.749 -7.256 -10.648 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.110 -6.074 -9.481 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.345 -7.673 -9.638 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.668 -7.604 -5.028 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.457 -8.187 -3.950 1.00 0.00 C ATOM 1145 C VAL A 78 -7.650 -7.309 -3.595 1.00 0.00 C ATOM 1146 O VAL A 78 -7.827 -6.228 -4.151 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.600 -8.371 -2.680 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.459 -9.343 -2.932 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -5.065 -7.029 -2.203 1.00 0.00 C ATOM 0 H VAL A 78 -5.295 -6.677 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.811 -9.154 -4.307 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.233 -8.790 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.870 -9.456 -2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.864 -10.312 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.824 -8.959 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.463 -7.175 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.450 -6.584 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.899 -6.365 -1.975 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.450 -7.775 -2.642 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.612 -7.024 -2.184 1.00 0.00 C ATOM 1161 C ASP A 79 -9.226 -6.190 -0.971 1.00 0.00 C ATOM 1162 O ASP A 79 -8.881 -6.732 0.079 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.763 -7.968 -1.834 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.788 -8.065 -2.946 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -11.606 -8.908 -3.850 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.775 -7.299 -2.913 1.00 0.00 O ATOM 0 H ASP A 79 -8.314 -8.670 -2.172 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.948 -6.366 -2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.364 -8.960 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.251 -7.620 -0.923 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.263 -4.874 -1.125 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.891 -3.975 -0.042 1.00 0.00 C ATOM 1173 C ILE A 80 -10.105 -3.284 0.573 1.00 0.00 C ATOM 1174 O ILE A 80 -11.219 -3.375 0.054 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.908 -2.900 -0.537 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.631 -1.855 -1.393 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.774 -3.544 -1.322 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -7.823 -0.597 -1.619 1.00 0.00 C ATOM 0 H ILE A 80 -9.546 -4.406 -1.986 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.416 -4.591 0.722 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.486 -2.393 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.879 -2.296 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.573 -1.591 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.086 -2.772 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.241 -4.246 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.182 -4.076 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.396 0.098 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.597 -0.132 -0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.893 -0.849 -2.128 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.867 -2.573 1.670 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.914 -1.834 2.361 1.00 0.00 C ATOM 1192 C ILE A 81 -10.329 -0.589 3.012 1.00 0.00 C ATOM 1193 O ILE A 81 -9.171 -0.583 3.424 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.619 -2.684 3.437 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.632 -3.636 4.103 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.776 -3.458 2.828 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.408 -3.349 5.570 1.00 0.00 C ATOM 0 H ILE A 81 -8.947 -2.494 2.103 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.657 -1.557 1.613 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.014 -2.013 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.995 -4.658 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.677 -3.579 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.263 -4.053 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.496 -2.760 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -12.401 -4.117 2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.695 -4.066 5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.014 -2.339 5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.353 -3.434 6.106 1.00 0.00 H new ATOM 1209 N SER A 82 -11.129 0.464 3.097 1.00 0.00 N ATOM 1210 CA SER A 82 -10.675 1.715 3.693 1.00 0.00 C ATOM 1211 C SER A 82 -11.067 1.801 5.163 1.00 0.00 C ATOM 1212 O SER A 82 -11.796 0.951 5.672 1.00 0.00 O ATOM 1213 CB SER A 82 -11.252 2.904 2.926 1.00 0.00 C ATOM 1214 OG SER A 82 -12.397 3.428 3.578 1.00 0.00 O ATOM 0 H SER A 82 -12.093 0.479 2.763 1.00 0.00 H new ATOM 0 HA SER A 82 -9.587 1.742 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.495 3.683 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.516 2.594 1.915 1.00 0.00 H new ATOM 0 HG SER A 82 -12.745 4.188 3.067 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.556 2.827 5.838 1.00 0.00 N ATOM 1221 CA ARG A 83 -10.829 3.040 7.260 1.00 0.00 C ATOM 1222 C ARG A 83 -12.297 2.779 7.610 1.00 0.00 C ATOM 1223 O ARG A 83 -12.604 2.306 8.704 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.458 4.470 7.660 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.383 5.529 7.073 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.598 6.678 6.462 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.035 7.972 6.978 1.00 0.00 N ATOM 1228 CZ ARG A 83 -10.826 8.380 8.227 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -10.191 7.593 9.089 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.248 9.575 8.617 1.00 0.00 N ATOM 0 H ARG A 83 -9.946 3.530 5.421 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.219 2.328 7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.473 4.549 8.747 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.436 4.674 7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.019 5.077 6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.041 5.911 7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.537 6.544 6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.714 6.661 5.378 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.529 8.600 6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.862 6.674 8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.032 7.908 10.046 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.734 10.184 7.959 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.086 9.885 9.575 1.00 0.00 H new ATOM 1244 N SER A 84 -13.200 3.103 6.688 1.00 0.00 N ATOM 1245 CA SER A 84 -14.630 2.915 6.922 1.00 0.00 C ATOM 1246 C SER A 84 -15.133 1.604 6.319 1.00 0.00 C ATOM 1247 O SER A 84 -16.190 1.104 6.707 1.00 0.00 O ATOM 1248 CB SER A 84 -15.421 4.089 6.341 1.00 0.00 C ATOM 1249 OG SER A 84 -14.710 5.306 6.490 1.00 0.00 O ATOM 0 H SER A 84 -12.969 3.495 5.775 1.00 0.00 H new ATOM 0 HA SER A 84 -14.783 2.871 8.000 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.623 3.909 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.386 4.164 6.841 1.00 0.00 H new ATOM 0 HG SER A 84 -15.235 6.041 6.110 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.379 1.051 5.374 1.00 0.00 N ATOM 1256 CA GLY A 85 -14.779 -0.192 4.744 1.00 0.00 C ATOM 1257 C GLY A 85 -15.511 0.053 3.445 1.00 0.00 C ATOM 1258 O GLY A 85 -16.652 0.518 3.443 1.00 0.00 O ATOM 0 H GLY A 85 -13.500 1.441 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.898 -0.805 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.420 -0.755 5.423 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.849 -0.254 2.338 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.435 -0.058 1.023 1.00 0.00 C ATOM 1264 C GLU A 86 -15.611 -1.388 0.302 1.00 0.00 C ATOM 1265 O GLU A 86 -16.541 -1.560 -0.486 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.556 0.881 0.198 1.00 0.00 C ATOM 1267 CG GLU A 86 -15.021 2.328 0.224 1.00 0.00 C ATOM 1268 CD GLU A 86 -16.170 2.587 -0.728 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -15.906 2.888 -1.911 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -17.336 2.488 -0.292 1.00 0.00 O ATOM 0 H GLU A 86 -13.905 -0.640 2.326 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.420 0.391 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.533 0.830 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.536 0.533 -0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.327 2.589 1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.186 2.979 -0.035 1.00 0.00 H new ATOM 1277 N LYS A 87 -14.712 -2.329 0.583 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.765 -3.652 -0.032 1.00 0.00 C ATOM 1279 C LYS A 87 -14.785 -3.545 -1.553 1.00 0.00 C ATOM 1280 O LYS A 87 -15.848 -3.560 -2.174 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.997 -4.414 0.461 1.00 0.00 C ATOM 1282 CG LYS A 87 -15.662 -5.644 1.289 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.893 -5.396 2.771 1.00 0.00 C ATOM 1284 CE LYS A 87 -17.350 -5.603 3.151 1.00 0.00 C ATOM 1285 NZ LYS A 87 -17.772 -4.702 4.258 1.00 0.00 N ATOM 0 H LYS A 87 -13.937 -2.199 1.234 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.869 -4.200 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.615 -3.742 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.594 -4.717 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.274 -6.484 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.622 -5.923 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.265 -6.068 3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.592 -4.379 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.980 -5.426 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.503 -6.640 3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.772 -4.876 4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.188 -4.888 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.651 -3.712 3.965 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.599 -3.440 -2.147 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.472 -3.329 -3.595 1.00 0.00 C ATOM 1301 C ILE A 88 -12.135 -3.890 -4.071 1.00 0.00 C ATOM 1302 O ILE A 88 -11.088 -3.573 -3.509 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.600 -1.864 -4.067 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.933 -0.919 -3.064 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -15.061 -1.487 -4.264 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -11.753 -0.167 -3.636 1.00 0.00 C ATOM 0 H ILE A 88 -12.711 -3.430 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.286 -3.911 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.091 -1.768 -5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.672 -0.202 -2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.602 -1.494 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.128 -0.451 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.507 -2.139 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.596 -1.601 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.330 0.483 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.996 -0.877 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.081 0.436 -4.483 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.150 -4.734 -5.120 1.00 0.00 N ATOM 1319 CA PRO A 89 -10.925 -5.332 -5.663 1.00 0.00 C ATOM 1320 C PRO A 89 -10.057 -4.311 -6.388 1.00 0.00 C ATOM 1321 O PRO A 89 -10.550 -3.528 -7.199 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.449 -6.382 -6.645 1.00 0.00 C ATOM 1323 CG PRO A 89 -12.788 -5.878 -7.059 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.352 -5.170 -5.857 1.00 0.00 C ATOM 0 HA PRO A 89 -10.288 -5.742 -4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.784 -6.489 -7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.523 -7.362 -6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.705 -5.200 -7.908 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.436 -6.698 -7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.975 -4.324 -6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -13.973 -5.833 -5.255 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.760 -4.331 -6.096 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.815 -3.414 -6.721 1.00 0.00 C ATOM 1334 C VAL A 90 -6.458 -4.082 -6.909 1.00 0.00 C ATOM 1335 O VAL A 90 -6.191 -5.137 -6.339 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.628 -2.126 -5.891 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -8.939 -1.362 -5.772 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -7.069 -2.450 -4.518 1.00 0.00 C ATOM 0 H VAL A 90 -8.339 -4.976 -5.427 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.233 -3.146 -7.691 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.912 -1.489 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.781 -0.459 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.293 -1.090 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.683 -1.990 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.945 -1.529 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.757 -3.111 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.103 -2.943 -4.626 1.00 0.00 H new ATOM 1348 N SER A 91 -5.604 -3.453 -7.710 1.00 0.00 N ATOM 1349 CA SER A 91 -4.271 -3.980 -7.977 1.00 0.00 C ATOM 1350 C SER A 91 -3.240 -3.365 -7.038 1.00 0.00 C ATOM 1351 O SER A 91 -3.108 -2.142 -6.966 1.00 0.00 O ATOM 1352 CB SER A 91 -3.877 -3.707 -9.430 1.00 0.00 C ATOM 1353 OG SER A 91 -2.684 -4.391 -9.771 1.00 0.00 O ATOM 0 H SER A 91 -5.812 -2.576 -8.186 1.00 0.00 H new ATOM 0 HA SER A 91 -4.294 -5.056 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.683 -4.021 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.741 -2.636 -9.578 1.00 0.00 H new ATOM 0 HG SER A 91 -1.910 -3.863 -9.483 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.501 -4.216 -6.330 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.475 -3.746 -5.409 1.00 0.00 C ATOM 1361 C VAL A 92 -0.103 -4.267 -5.818 1.00 0.00 C ATOM 1362 O VAL A 92 0.078 -5.467 -6.018 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.763 -4.185 -3.962 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.598 -3.821 -3.049 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.058 -3.563 -3.461 1.00 0.00 C ATOM 0 H VAL A 92 -2.595 -5.231 -6.378 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.485 -2.657 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.879 -5.269 -3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.821 -4.139 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.306 -4.321 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.445 -2.742 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.244 -3.885 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.975 -2.477 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.884 -3.881 -4.097 1.00 0.00 H new ATOM 1375 N TRP A 93 0.861 -3.362 -5.938 1.00 0.00 N ATOM 1376 CA TRP A 93 2.213 -3.750 -6.319 1.00 0.00 C ATOM 1377 C TRP A 93 3.253 -3.070 -5.436 1.00 0.00 C ATOM 1378 O TRP A 93 3.462 -1.860 -5.520 1.00 0.00 O ATOM 1379 CB TRP A 93 2.498 -3.443 -7.799 1.00 0.00 C ATOM 1380 CG TRP A 93 1.478 -2.569 -8.475 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.151 -2.836 -8.664 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.717 -1.291 -9.079 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.450 -1.798 -9.334 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.489 -0.838 -9.601 1.00 0.00 C ATOM 1385 CE3 TRP A 93 2.848 -0.482 -9.221 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.366 0.384 -10.257 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 2.722 0.730 -9.875 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.490 1.153 -10.384 1.00 0.00 C ATOM 0 H TRP A 93 0.733 -2.363 -5.778 1.00 0.00 H new ATOM 0 HA TRP A 93 2.284 -4.828 -6.175 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.473 -2.962 -7.873 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.565 -4.385 -8.343 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.352 -3.733 -8.334 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.436 -1.750 -9.591 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.803 -0.798 -8.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.584 0.713 -10.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.590 1.361 -9.995 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.425 2.106 -10.888 1.00 0.00 H new ATOM 1399 N MET A 94 3.904 -3.866 -4.591 1.00 0.00 N ATOM 1400 CA MET A 94 4.929 -3.358 -3.689 1.00 0.00 C ATOM 1401 C MET A 94 6.321 -3.611 -4.260 1.00 0.00 C ATOM 1402 O MET A 94 6.607 -4.695 -4.765 1.00 0.00 O ATOM 1403 CB MET A 94 4.798 -4.020 -2.316 1.00 0.00 C ATOM 1404 CG MET A 94 5.205 -3.116 -1.165 1.00 0.00 C ATOM 1405 SD MET A 94 4.947 -3.878 0.450 1.00 0.00 S ATOM 1406 CE MET A 94 4.946 -2.435 1.513 1.00 0.00 C ATOM 0 H MET A 94 3.737 -4.869 -4.514 1.00 0.00 H new ATOM 0 HA MET A 94 4.789 -2.283 -3.580 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.765 -4.336 -2.171 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.413 -4.920 -2.295 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.257 -2.851 -1.272 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.635 -2.188 -1.219 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.628 -2.597 2.347 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.269 -1.564 0.944 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.939 -2.265 1.895 1.00 0.00 H new ATOM 1416 N LYS A 95 7.186 -2.602 -4.180 1.00 0.00 N ATOM 1417 CA LYS A 95 8.548 -2.726 -4.698 1.00 0.00 C ATOM 1418 C LYS A 95 9.481 -1.681 -4.093 1.00 0.00 C ATOM 1419 O LYS A 95 9.161 -0.492 -4.055 1.00 0.00 O ATOM 1420 CB LYS A 95 8.550 -2.601 -6.222 1.00 0.00 C ATOM 1421 CG LYS A 95 7.617 -1.522 -6.749 1.00 0.00 C ATOM 1422 CD LYS A 95 6.880 -1.983 -7.995 1.00 0.00 C ATOM 1423 CE LYS A 95 6.549 -0.813 -8.908 1.00 0.00 C ATOM 1424 NZ LYS A 95 7.660 -0.516 -9.853 1.00 0.00 N ATOM 0 H LYS A 95 6.971 -1.696 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 95 8.917 -3.711 -4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.564 -2.388 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.265 -3.559 -6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.896 -1.254 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.190 -0.623 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.491 -2.706 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.961 -2.494 -7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.643 -1.037 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.339 0.070 -8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.396 0.288 -10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.518 -0.278 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.844 -1.350 -10.446 1.00 0.00 H new ATOM 1438 N ARG A 96 10.638 -2.138 -3.622 1.00 0.00 N ATOM 1439 CA ARG A 96 11.632 -1.252 -3.019 1.00 0.00 C ATOM 1440 C ARG A 96 12.279 -0.350 -4.068 1.00 0.00 C ATOM 1441 O ARG A 96 12.986 -0.822 -4.959 1.00 0.00 O ATOM 1442 CB ARG A 96 12.708 -2.072 -2.301 1.00 0.00 C ATOM 1443 CG ARG A 96 13.077 -3.364 -3.017 1.00 0.00 C ATOM 1444 CD ARG A 96 14.530 -3.362 -3.459 1.00 0.00 C ATOM 1445 NE ARG A 96 14.913 -4.628 -4.080 1.00 0.00 N ATOM 1446 CZ ARG A 96 15.217 -5.726 -3.394 1.00 0.00 C ATOM 1447 NH1 ARG A 96 15.190 -5.712 -2.069 1.00 0.00 N ATOM 1448 NH2 ARG A 96 15.549 -6.838 -4.032 1.00 0.00 N ATOM 0 H ARG A 96 10.912 -3.120 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 96 11.119 -0.619 -2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.604 -1.461 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.359 -2.311 -1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.898 -4.211 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.432 -3.497 -3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.694 -2.548 -4.165 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.171 -3.171 -2.598 1.00 0.00 H new ATOM 0 HE ARG A 96 14.949 -4.672 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 96 14.936 -4.858 -1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 96 15.424 -6.555 -1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.572 -6.854 -5.052 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.782 -7.679 -3.504 1.00 0.00 H new ATOM 1462 N MET A 97 12.015 0.948 -3.959 1.00 0.00 N ATOM 1463 CA MET A 97 12.551 1.933 -4.898 1.00 0.00 C ATOM 1464 C MET A 97 13.490 2.914 -4.200 1.00 0.00 C ATOM 1465 O MET A 97 13.959 3.873 -4.813 1.00 0.00 O ATOM 1466 CB MET A 97 11.407 2.708 -5.532 1.00 0.00 C ATOM 1467 CG MET A 97 10.712 3.616 -4.537 1.00 0.00 C ATOM 1468 SD MET A 97 10.646 5.331 -5.085 1.00 0.00 S ATOM 1469 CE MET A 97 9.294 5.261 -6.258 1.00 0.00 C ATOM 0 H MET A 97 11.429 1.346 -3.225 1.00 0.00 H new ATOM 0 HA MET A 97 13.115 1.397 -5.661 1.00 0.00 H new ATOM 0 HB2 MET A 97 11.789 3.304 -6.361 1.00 0.00 H new ATOM 0 HB3 MET A 97 10.683 2.008 -5.950 1.00 0.00 H new ATOM 0 HG2 MET A 97 9.698 3.254 -4.368 1.00 0.00 H new ATOM 0 HG3 MET A 97 11.232 3.565 -3.580 1.00 0.00 H new ATOM 0 HE1 MET A 97 9.561 5.819 -7.155 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.095 4.222 -6.523 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.401 5.699 -5.811 1.00 0.00 H new ATOM 1479 N ARG A 98 13.762 2.659 -2.924 1.00 0.00 N ATOM 1480 CA ARG A 98 14.653 3.507 -2.127 1.00 0.00 C ATOM 1481 C ARG A 98 14.078 4.905 -1.943 1.00 0.00 C ATOM 1482 O ARG A 98 13.541 5.229 -0.885 1.00 0.00 O ATOM 1483 CB ARG A 98 16.037 3.600 -2.777 1.00 0.00 C ATOM 1484 CG ARG A 98 16.539 2.274 -3.315 1.00 0.00 C ATOM 1485 CD ARG A 98 17.871 1.888 -2.693 1.00 0.00 C ATOM 1486 NE ARG A 98 18.972 1.995 -3.648 1.00 0.00 N ATOM 1487 CZ ARG A 98 19.996 2.829 -3.502 1.00 0.00 C ATOM 1488 NH1 ARG A 98 20.061 3.625 -2.444 1.00 0.00 N ATOM 1489 NH2 ARG A 98 20.957 2.869 -4.414 1.00 0.00 N ATOM 0 H ARG A 98 13.376 1.865 -2.413 1.00 0.00 H new ATOM 0 HA ARG A 98 14.748 3.043 -1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.000 4.324 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 98 16.750 3.980 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 98 15.803 1.496 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 98 16.647 2.337 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.071 2.531 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 98 17.814 0.866 -2.319 1.00 0.00 H new ATOM 0 HE ARG A 98 18.953 1.396 -4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.324 3.598 -1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.848 4.264 -2.334 1.00 0.00 H new ATOM 0 HH21 ARG A 98 20.911 2.259 -5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.742 3.510 -4.300 1.00 0.00 H new ATOM 1503 N GLN A 99 14.210 5.729 -2.977 1.00 0.00 N ATOM 1504 CA GLN A 99 13.713 7.105 -2.940 1.00 0.00 C ATOM 1505 C GLN A 99 14.492 7.941 -1.923 1.00 0.00 C ATOM 1506 O GLN A 99 14.215 9.127 -1.739 1.00 0.00 O ATOM 1507 CB GLN A 99 12.217 7.125 -2.603 1.00 0.00 C ATOM 1508 CG GLN A 99 11.547 8.465 -2.864 1.00 0.00 C ATOM 1509 CD GLN A 99 10.223 8.326 -3.592 1.00 0.00 C ATOM 1510 OE1 GLN A 99 10.163 8.423 -4.817 1.00 0.00 O ATOM 1511 NE2 GLN A 99 9.152 8.101 -2.839 1.00 0.00 N ATOM 0 H GLN A 99 14.658 5.469 -3.856 1.00 0.00 H new ATOM 0 HA GLN A 99 13.859 7.543 -3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.712 6.357 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.087 6.863 -1.553 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.383 8.976 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.216 9.093 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.247 8.028 -1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.235 8.002 -3.274 1.00 0.00 H new ATOM 1520 N GLU A 100 15.466 7.314 -1.268 1.00 0.00 N ATOM 1521 CA GLU A 100 16.284 7.998 -0.271 1.00 0.00 C ATOM 1522 C GLU A 100 17.474 7.135 0.136 1.00 0.00 C ATOM 1523 O GLU A 100 17.839 6.191 -0.567 1.00 0.00 O ATOM 1524 CB GLU A 100 15.442 8.345 0.958 1.00 0.00 C ATOM 1525 CG GLU A 100 15.686 9.750 1.486 1.00 0.00 C ATOM 1526 CD GLU A 100 14.517 10.278 2.295 1.00 0.00 C ATOM 1527 OE1 GLU A 100 13.544 10.765 1.684 1.00 0.00 O ATOM 1528 OE2 GLU A 100 14.577 10.205 3.542 1.00 0.00 O ATOM 0 H GLU A 100 15.708 6.333 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 100 16.662 8.920 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.387 8.238 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 100 15.656 7.626 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.583 9.751 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.877 10.421 0.649 1.00 0.00 H new ATOM 1535 N ARG A 101 18.076 7.462 1.277 1.00 0.00 N ATOM 1536 CA ARG A 101 19.225 6.715 1.778 1.00 0.00 C ATOM 1537 C ARG A 101 18.800 5.341 2.285 1.00 0.00 C ATOM 1538 O ARG A 101 19.612 4.418 2.361 1.00 0.00 O ATOM 1539 CB ARG A 101 19.917 7.494 2.898 1.00 0.00 C ATOM 1540 CG ARG A 101 19.926 8.997 2.680 1.00 0.00 C ATOM 1541 CD ARG A 101 21.151 9.440 1.897 1.00 0.00 C ATOM 1542 NE ARG A 101 22.257 9.812 2.774 1.00 0.00 N ATOM 1543 CZ ARG A 101 23.191 8.960 3.183 1.00 0.00 C ATOM 1544 NH1 ARG A 101 23.156 7.693 2.790 1.00 0.00 N ATOM 1545 NH2 ARG A 101 24.164 9.374 3.985 1.00 0.00 N ATOM 0 H ARG A 101 17.787 8.239 1.871 1.00 0.00 H new ATOM 0 HA ARG A 101 19.926 6.578 0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 101 19.418 7.276 3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.945 7.143 2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 101 19.024 9.293 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 101 19.906 9.505 3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 101 21.469 8.634 1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 101 20.889 10.288 1.264 1.00 0.00 H new ATOM 0 HE ARG A 101 22.316 10.780 3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 101 22.411 7.371 2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 101 23.874 7.041 3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 101 24.196 10.347 4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 101 24.880 8.719 4.298 1.00 0.00 H new ATOM 1559 N ARG A 102 17.523 5.213 2.636 1.00 0.00 N ATOM 1560 CA ARG A 102 16.989 3.952 3.140 1.00 0.00 C ATOM 1561 C ARG A 102 16.028 3.325 2.134 1.00 0.00 C ATOM 1562 O ARG A 102 15.121 3.986 1.629 1.00 0.00 O ATOM 1563 CB ARG A 102 16.278 4.178 4.479 1.00 0.00 C ATOM 1564 CG ARG A 102 15.300 3.073 4.857 1.00 0.00 C ATOM 1565 CD ARG A 102 13.918 3.633 5.146 1.00 0.00 C ATOM 1566 NE ARG A 102 13.891 4.410 6.382 1.00 0.00 N ATOM 1567 CZ ARG A 102 13.769 3.870 7.592 1.00 0.00 C ATOM 1568 NH1 ARG A 102 13.663 2.555 7.729 1.00 0.00 N ATOM 1569 NH2 ARG A 102 13.757 4.647 8.667 1.00 0.00 N ATOM 0 H ARG A 102 16.839 5.968 2.580 1.00 0.00 H new ATOM 0 HA ARG A 102 17.822 3.265 3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.027 4.270 5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.741 5.126 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.238 2.347 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.670 2.542 5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.601 4.263 4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.202 2.814 5.217 1.00 0.00 H new ATOM 0 HE ARG A 102 13.970 5.425 6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.675 1.954 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.570 2.145 8.658 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.841 5.658 8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.663 4.233 9.594 1.00 0.00 H new ATOM 1583 N LEU A 103 16.234 2.039 1.855 1.00 0.00 N ATOM 1584 CA LEU A 103 15.384 1.307 0.919 1.00 0.00 C ATOM 1585 C LEU A 103 13.916 1.442 1.315 1.00 0.00 C ATOM 1586 O LEU A 103 13.478 0.869 2.312 1.00 0.00 O ATOM 1587 CB LEU A 103 15.787 -0.169 0.896 1.00 0.00 C ATOM 1588 CG LEU A 103 15.165 -0.996 -0.228 1.00 0.00 C ATOM 1589 CD1 LEU A 103 15.909 -0.767 -1.534 1.00 0.00 C ATOM 1590 CD2 LEU A 103 15.166 -2.471 0.138 1.00 0.00 C ATOM 0 H LEU A 103 16.984 1.482 2.265 1.00 0.00 H new ATOM 0 HA LEU A 103 15.515 1.729 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 103 16.872 -0.232 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 103 15.513 -0.619 1.850 1.00 0.00 H new ATOM 0 HG LEU A 103 14.132 -0.675 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 103 15.452 -1.364 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.858 0.288 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.952 -1.061 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 103 14.720 -3.047 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.191 -2.805 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 103 14.588 -2.620 1.050 1.00 0.00 H new ATOM 1602 N CYS A 104 13.164 2.219 0.539 1.00 0.00 N ATOM 1603 CA CYS A 104 11.751 2.443 0.827 1.00 0.00 C ATOM 1604 C CYS A 104 10.843 1.572 -0.037 1.00 0.00 C ATOM 1605 O CYS A 104 11.065 1.409 -1.237 1.00 0.00 O ATOM 1606 CB CYS A 104 11.396 3.919 0.634 1.00 0.00 C ATOM 1607 SG CYS A 104 10.656 4.308 -0.970 1.00 0.00 S ATOM 0 H CYS A 104 13.508 2.702 -0.291 1.00 0.00 H new ATOM 0 HA CYS A 104 11.586 2.162 1.867 1.00 0.00 H new ATOM 0 HB2 CYS A 104 10.705 4.220 1.421 1.00 0.00 H new ATOM 0 HB3 CYS A 104 12.299 4.516 0.758 1.00 0.00 H new ATOM 0 HG CYS A 104 10.538 3.218 -1.669 1.00 0.00 H new ATOM 1613 N CYS A 105 9.806 1.035 0.594 1.00 0.00 N ATOM 1614 CA CYS A 105 8.824 0.194 -0.074 1.00 0.00 C ATOM 1615 C CYS A 105 7.663 1.044 -0.595 1.00 0.00 C ATOM 1616 O CYS A 105 7.101 1.847 0.145 1.00 0.00 O ATOM 1617 CB CYS A 105 8.300 -0.853 0.907 1.00 0.00 C ATOM 1618 SG CYS A 105 8.117 -2.506 0.202 1.00 0.00 S ATOM 0 H CYS A 105 9.623 1.172 1.588 1.00 0.00 H new ATOM 0 HA CYS A 105 9.299 -0.304 -0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.978 -0.907 1.759 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.333 -0.525 1.289 1.00 0.00 H new ATOM 0 HG CYS A 105 7.476 -3.266 1.039 1.00 0.00 H new ATOM 1624 N VAL A 106 7.305 0.864 -1.862 1.00 0.00 N ATOM 1625 CA VAL A 106 6.210 1.626 -2.460 1.00 0.00 C ATOM 1626 C VAL A 106 5.034 0.725 -2.829 1.00 0.00 C ATOM 1627 O VAL A 106 5.221 -0.383 -3.329 1.00 0.00 O ATOM 1628 CB VAL A 106 6.684 2.391 -3.717 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.500 2.871 -4.547 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.568 3.562 -3.320 1.00 0.00 C ATOM 0 H VAL A 106 7.754 0.201 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 106 5.878 2.343 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 106 7.267 1.705 -4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.864 3.406 -5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.907 2.013 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.881 3.538 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.894 4.091 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.005 4.242 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.439 3.193 -2.779 1.00 0.00 H new ATOM 1640 N VAL A 107 3.821 1.220 -2.588 1.00 0.00 N ATOM 1641 CA VAL A 107 2.602 0.477 -2.898 1.00 0.00 C ATOM 1642 C VAL A 107 1.642 1.353 -3.706 1.00 0.00 C ATOM 1643 O VAL A 107 1.258 2.434 -3.263 1.00 0.00 O ATOM 1644 CB VAL A 107 1.903 -0.011 -1.602 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.389 0.134 -1.688 1.00 0.00 C ATOM 1646 CG2 VAL A 107 2.281 -1.455 -1.313 1.00 0.00 C ATOM 0 H VAL A 107 3.657 2.139 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 107 2.879 -0.396 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 107 2.247 0.620 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.063 -0.218 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.132 1.182 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 107 0.014 -0.458 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.784 -1.786 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.970 -2.086 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.361 -1.530 -1.185 1.00 0.00 H new ATOM 1656 N VAL A 108 1.264 0.886 -4.892 1.00 0.00 N ATOM 1657 CA VAL A 108 0.355 1.641 -5.746 1.00 0.00 C ATOM 1658 C VAL A 108 -0.952 0.886 -5.968 1.00 0.00 C ATOM 1659 O VAL A 108 -0.966 -0.197 -6.552 1.00 0.00 O ATOM 1660 CB VAL A 108 0.992 1.960 -7.111 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.199 3.041 -7.828 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.444 2.379 -6.939 1.00 0.00 C ATOM 0 H VAL A 108 1.571 -0.006 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 108 0.145 2.577 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 108 0.970 1.058 -7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.663 3.254 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.823 2.698 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.188 3.947 -7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.877 2.600 -7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.494 3.268 -6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.003 1.570 -6.469 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.047 1.468 -5.485 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.364 0.860 -5.610 1.00 0.00 C ATOM 1674 C LEU A 109 -4.111 1.407 -6.824 1.00 0.00 C ATOM 1675 O LEU A 109 -4.152 2.616 -7.046 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.157 1.122 -4.335 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.298 1.188 -3.074 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -3.943 2.075 -2.023 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.057 -0.211 -2.533 1.00 0.00 C ATOM 0 H LEU A 109 -2.045 2.366 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.245 -0.214 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.699 2.061 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.902 0.336 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.336 1.630 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.312 2.105 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.060 3.083 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.921 1.674 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.444 -0.153 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.012 -0.677 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.542 -0.808 -3.285 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.701 0.508 -7.606 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.447 0.902 -8.794 1.00 0.00 C ATOM 1693 C GLU A 110 -6.730 0.085 -8.927 1.00 0.00 C ATOM 1694 O GLU A 110 -6.683 -1.131 -9.111 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.585 0.730 -10.045 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.635 1.923 -10.986 1.00 0.00 C ATOM 1697 CD GLU A 110 -3.543 1.884 -12.039 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -3.150 0.772 -12.446 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -3.083 2.969 -12.456 1.00 0.00 O ATOM 0 H GLU A 110 -4.676 -0.498 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.717 1.953 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.552 0.558 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.912 -0.160 -10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.607 1.952 -11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.543 2.842 -10.407 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.902 0.744 -8.834 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.198 0.066 -8.942 1.00 0.00 C ATOM 1708 C PRO A 111 -9.312 -0.765 -10.217 1.00 0.00 C ATOM 1709 O PRO A 111 -8.943 -0.313 -11.301 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.206 1.217 -8.964 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.512 2.344 -8.281 1.00 0.00 C ATOM 1712 CD PRO A 111 -8.054 2.195 -8.615 1.00 0.00 C ATOM 0 HA PRO A 111 -9.356 -0.639 -8.126 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.481 1.482 -9.985 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.126 0.947 -8.446 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.895 3.305 -8.625 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.672 2.305 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.785 2.766 -9.503 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.417 2.548 -7.804 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.828 -1.983 -10.077 1.00 0.00 N ATOM 1721 CA VAL A 112 -9.995 -2.879 -11.214 1.00 0.00 C ATOM 1722 C VAL A 112 -11.411 -2.800 -11.775 1.00 0.00 C ATOM 1723 O VAL A 112 -12.329 -2.319 -11.109 1.00 0.00 O ATOM 1724 CB VAL A 112 -9.684 -4.340 -10.831 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -8.330 -4.436 -10.147 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -10.779 -4.909 -9.938 1.00 0.00 C ATOM 0 H VAL A 112 -10.138 -2.371 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.288 -2.555 -11.977 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.649 -4.933 -11.745 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.128 -5.474 -9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.555 -4.075 -10.823 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.335 -3.827 -9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.539 -5.940 -9.680 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -10.851 -4.315 -9.027 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.732 -4.880 -10.467 1.00 0.00 H new