USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 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 96 LYS NZ :NH3+ -166:sc= -0.0643 (180deg=-0.463) USER MOD Set 1.2: A 100 GLN : amide:sc= 0 X(o=-0.064,f=-0.36) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 115 SER OG : rot -89:sc= -0.613 USER MOD Single : A 10 LYS NZ :NH3+ -145:sc= 0.176 (180deg=-0.165) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.384 K(o=-0.38,f=-2.7!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 66:sc= -0.208 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0597 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -2.38! C(o=-2.4!,f=-6.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -57:sc= 0.0395 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.2!) USER MOD Single : A 107 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.084) USER MOD Single : A 108 SER OG : rot -99:sc= 0.00922 USER MOD Single : A 110 THR OG1 : rot 94:sc= 0.999 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 160:sc= -1.19 (180deg=-1.78) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.510 -12.134 7.833 1.00 0.00 N ATOM 70 CA PRO A 9 -11.357 -11.420 7.310 1.00 0.00 C ATOM 71 C PRO A 9 -10.175 -11.508 8.277 1.00 0.00 C ATOM 72 O PRO A 9 -10.342 -11.876 9.438 1.00 0.00 O ATOM 73 CB PRO A 9 -11.842 -9.996 7.092 1.00 0.00 C ATOM 74 CG PRO A 9 -13.101 -9.851 7.930 1.00 0.00 C ATOM 75 CD PRO A 9 -13.548 -11.242 8.345 1.00 0.00 C ATOM 0 HA PRO A 9 -10.984 -11.846 6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.084 -9.274 7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.051 -9.812 6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.906 -9.235 8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.884 -9.353 7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.639 -11.322 9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.523 -11.487 7.924 1.00 0.00 H new ATOM 80 N LYS A 10 -9.004 -11.161 7.761 1.00 0.00 N ATOM 81 CA LYS A 10 -7.792 -11.197 8.564 1.00 0.00 C ATOM 82 C LYS A 10 -7.278 -9.770 8.764 1.00 0.00 C ATOM 83 O LYS A 10 -7.024 -9.056 7.796 1.00 0.00 O ATOM 84 CB LYS A 10 -6.762 -12.139 7.938 1.00 0.00 C ATOM 85 CG LYS A 10 -5.394 -11.463 7.832 1.00 0.00 C ATOM 86 CD LYS A 10 -4.301 -12.486 7.521 1.00 0.00 C ATOM 87 CE LYS A 10 -2.973 -12.082 8.167 1.00 0.00 C ATOM 88 NZ LYS A 10 -1.834 -12.634 7.399 1.00 0.00 N ATOM 0 H LYS A 10 -8.869 -10.854 6.798 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.001 -11.604 9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.679 -13.044 8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.098 -12.445 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.419 -10.703 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.163 -10.952 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.603 -13.468 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.174 -12.571 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.898 -10.995 8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.936 -12.444 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.066 -12.890 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.143 -13.480 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.491 -11.920 6.725 1.00 0.00 H new ATOM 98 N THR A 11 -7.140 -9.397 10.028 1.00 0.00 N ATOM 99 CA THR A 11 -6.662 -8.068 10.369 1.00 0.00 C ATOM 100 C THR A 11 -5.340 -8.158 11.133 1.00 0.00 C ATOM 101 O THR A 11 -5.049 -9.174 11.762 1.00 0.00 O ATOM 102 CB THR A 11 -7.766 -7.352 11.148 1.00 0.00 C ATOM 103 OG1 THR A 11 -8.672 -6.910 10.140 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.277 -6.058 11.803 1.00 0.00 C ATOM 0 H THR A 11 -7.351 -9.993 10.829 1.00 0.00 H new ATOM 0 HA THR A 11 -6.446 -7.484 9.474 1.00 0.00 H new ATOM 0 HB THR A 11 -8.160 -8.020 11.914 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.421 -6.436 10.558 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.100 -5.590 12.343 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.469 -6.285 12.499 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.913 -5.376 11.034 1.00 0.00 H new ATOM 112 N VAL A 12 -4.572 -7.081 11.053 1.00 0.00 N ATOM 113 CA VAL A 12 -3.288 -7.025 11.730 1.00 0.00 C ATOM 114 C VAL A 12 -3.075 -5.620 12.296 1.00 0.00 C ATOM 115 O VAL A 12 -3.453 -4.631 11.672 1.00 0.00 O ATOM 116 CB VAL A 12 -2.174 -7.458 10.773 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.077 -8.983 10.699 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.377 -6.852 9.384 1.00 0.00 C ATOM 0 H VAL A 12 -4.815 -6.240 10.529 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.268 -7.720 12.569 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.230 -7.082 11.166 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.278 -9.264 10.013 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.861 -9.382 11.690 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.023 -9.391 10.342 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.572 -7.176 8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.333 -7.183 8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.371 -5.764 9.457 1.00 0.00 H new ATOM 128 N THR A 13 -2.471 -5.578 13.475 1.00 0.00 N ATOM 129 CA THR A 13 -2.204 -4.310 14.134 1.00 0.00 C ATOM 130 C THR A 13 -0.698 -4.100 14.295 1.00 0.00 C ATOM 131 O THR A 13 0.045 -5.053 14.522 1.00 0.00 O ATOM 132 CB THR A 13 -2.964 -4.299 15.462 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.285 -4.700 15.111 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.140 -2.886 16.025 1.00 0.00 C ATOM 0 H THR A 13 -2.159 -6.401 13.991 1.00 0.00 H new ATOM 0 HA THR A 13 -2.555 -3.470 13.534 1.00 0.00 H new ATOM 0 HB THR A 13 -2.434 -4.915 16.188 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.845 -4.721 15.915 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.685 -2.935 16.967 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.161 -2.438 16.195 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.699 -2.278 15.314 1.00 0.00 H new ATOM 142 N LEU A 14 -0.291 -2.845 14.173 1.00 0.00 N ATOM 143 CA LEU A 14 1.114 -2.497 14.301 1.00 0.00 C ATOM 144 C LEU A 14 1.265 -1.373 15.327 1.00 0.00 C ATOM 145 O LEU A 14 0.423 -0.478 15.401 1.00 0.00 O ATOM 146 CB LEU A 14 1.710 -2.164 12.931 1.00 0.00 C ATOM 147 CG LEU A 14 1.758 -3.313 11.922 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.436 -3.427 11.161 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.953 -3.164 10.978 1.00 0.00 C ATOM 0 H LEU A 14 -0.910 -2.056 13.987 1.00 0.00 H new ATOM 0 HA LEU A 14 1.685 -3.347 14.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.134 -1.348 12.495 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.725 -1.794 13.079 1.00 0.00 H new ATOM 0 HG LEU A 14 1.896 -4.245 12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.495 -4.251 10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.374 -3.613 11.866 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.244 -2.498 10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.964 -3.994 10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.871 -2.224 10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.877 -3.169 11.557 1.00 0.00 H new ATOM 160 N LYS A 15 2.342 -1.455 16.094 1.00 0.00 N ATOM 161 CA LYS A 15 2.613 -0.457 17.114 1.00 0.00 C ATOM 162 C LYS A 15 3.754 0.448 16.645 1.00 0.00 C ATOM 163 O LYS A 15 4.886 -0.007 16.485 1.00 0.00 O ATOM 164 CB LYS A 15 2.875 -1.127 18.464 1.00 0.00 C ATOM 165 CG LYS A 15 1.695 -2.010 18.877 1.00 0.00 C ATOM 166 CD LYS A 15 1.023 -1.473 20.141 1.00 0.00 C ATOM 167 CE LYS A 15 0.356 -2.602 20.930 1.00 0.00 C ATOM 168 NZ LYS A 15 0.075 -2.170 22.317 1.00 0.00 N ATOM 0 H LYS A 15 3.038 -2.198 16.029 1.00 0.00 H new ATOM 0 HA LYS A 15 1.741 0.180 17.265 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.781 -1.730 18.405 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.047 -0.365 19.224 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.968 -2.054 18.066 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.042 -3.029 19.050 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.763 -0.975 20.767 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.278 -0.724 19.871 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.572 -2.897 20.440 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.004 -3.478 20.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.377 -2.948 22.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.966 -1.910 22.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.561 -1.347 22.302 1.00 0.00 H new ATOM 178 N ARG A 16 3.418 1.712 16.438 1.00 0.00 N ATOM 179 CA ARG A 16 4.401 2.685 15.990 1.00 0.00 C ATOM 180 C ARG A 16 5.729 2.471 16.719 1.00 0.00 C ATOM 181 O ARG A 16 5.821 2.690 17.925 1.00 0.00 O ATOM 182 CB ARG A 16 3.914 4.114 16.238 1.00 0.00 C ATOM 183 CG ARG A 16 4.780 5.126 15.486 1.00 0.00 C ATOM 184 CD ARG A 16 3.921 6.035 14.606 1.00 0.00 C ATOM 185 NE ARG A 16 4.630 7.309 14.347 1.00 0.00 N ATOM 186 CZ ARG A 16 4.086 8.357 13.717 1.00 0.00 C ATOM 187 NH1 ARG A 16 2.822 8.292 13.275 1.00 0.00 N ATOM 188 NH2 ARG A 16 4.805 9.474 13.527 1.00 0.00 N ATOM 0 H ARG A 16 2.479 2.086 16.572 1.00 0.00 H new ATOM 0 HA ARG A 16 4.544 2.544 14.919 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.876 4.209 15.918 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.939 4.331 17.306 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.342 5.729 16.199 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.508 4.600 14.869 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.697 5.536 13.663 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.968 6.233 15.096 1.00 0.00 H new ATOM 0 HE ARG A 16 5.594 7.393 14.669 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.274 7.444 13.419 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.408 9.091 12.795 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.767 9.525 13.863 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.390 10.272 13.047 1.00 0.00 H new ATOM 264 N GLY A 22 7.566 -2.324 10.638 1.00 0.00 N ATOM 265 CA GLY A 22 8.392 -3.409 10.140 1.00 0.00 C ATOM 266 C GLY A 22 7.789 -4.020 8.872 1.00 0.00 C ATOM 267 O GLY A 22 7.522 -5.219 8.823 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.395 -3.039 9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.491 -4.177 10.907 1.00 0.00 H new ATOM 271 N PHE A 23 7.592 -3.166 7.878 1.00 0.00 N ATOM 272 CA PHE A 23 7.027 -3.606 6.614 1.00 0.00 C ATOM 273 C PHE A 23 6.922 -2.443 5.625 1.00 0.00 C ATOM 274 O PHE A 23 7.025 -1.281 6.016 1.00 0.00 O ATOM 275 CB PHE A 23 5.622 -4.135 6.913 1.00 0.00 C ATOM 276 CG PHE A 23 4.549 -3.045 6.976 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.370 -2.332 8.119 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.773 -2.792 5.887 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.372 -1.322 8.177 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.777 -1.782 5.946 1.00 0.00 C ATOM 281 CZ PHE A 23 2.598 -1.068 7.089 1.00 0.00 C ATOM 0 H PHE A 23 7.814 -2.171 7.923 1.00 0.00 H new ATOM 0 HA PHE A 23 7.663 -4.370 6.168 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.346 -4.859 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.640 -4.669 7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.986 -2.533 8.983 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.915 -3.359 4.979 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.229 -0.756 9.086 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.161 -1.581 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.841 -0.299 7.132 1.00 0.00 H new ATOM 290 N THR A 24 6.718 -2.796 4.365 1.00 0.00 N ATOM 291 CA THR A 24 6.598 -1.797 3.317 1.00 0.00 C ATOM 292 C THR A 24 5.783 -2.347 2.146 1.00 0.00 C ATOM 293 O THR A 24 5.627 -3.559 2.009 1.00 0.00 O ATOM 294 CB THR A 24 8.009 -1.355 2.922 1.00 0.00 C ATOM 295 OG1 THR A 24 7.798 -0.208 2.104 1.00 0.00 O ATOM 296 CG2 THR A 24 8.696 -2.355 1.990 1.00 0.00 C ATOM 0 H THR A 24 6.633 -3.761 4.046 1.00 0.00 H new ATOM 0 HA THR A 24 6.053 -0.920 3.667 1.00 0.00 H new ATOM 0 HB THR A 24 8.612 -1.222 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.662 0.144 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.694 -1.994 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.774 -3.322 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.110 -2.463 1.077 1.00 0.00 H new ATOM 304 N LEU A 25 5.286 -1.430 1.330 1.00 0.00 N ATOM 305 CA LEU A 25 4.490 -1.808 0.173 1.00 0.00 C ATOM 306 C LEU A 25 5.274 -1.497 -1.102 1.00 0.00 C ATOM 307 O LEU A 25 6.362 -0.926 -1.044 1.00 0.00 O ATOM 308 CB LEU A 25 3.114 -1.141 0.228 1.00 0.00 C ATOM 309 CG LEU A 25 2.356 -1.278 1.550 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.353 -2.729 2.034 1.00 0.00 C ATOM 311 CD2 LEU A 25 2.915 -0.323 2.606 1.00 0.00 C ATOM 0 H LEU A 25 5.419 -0.425 1.446 1.00 0.00 H new ATOM 0 HA LEU A 25 4.298 -2.881 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.237 -0.080 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.497 -1.560 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 25 1.318 -0.994 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.808 -2.797 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.870 -3.360 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.379 -3.065 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.358 -0.442 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.966 -0.550 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.820 0.704 2.254 1.00 0.00 H new ATOM 322 N ARG A 26 4.690 -1.884 -2.227 1.00 0.00 N ATOM 323 CA ARG A 26 5.320 -1.654 -3.516 1.00 0.00 C ATOM 324 C ARG A 26 4.345 -0.957 -4.466 1.00 0.00 C ATOM 325 O ARG A 26 3.159 -1.279 -4.490 1.00 0.00 O ATOM 326 CB ARG A 26 5.782 -2.969 -4.146 1.00 0.00 C ATOM 327 CG ARG A 26 4.591 -3.883 -4.443 1.00 0.00 C ATOM 328 CD ARG A 26 5.038 -5.140 -5.193 1.00 0.00 C ATOM 329 NE ARG A 26 4.338 -5.228 -6.493 1.00 0.00 N ATOM 330 CZ ARG A 26 4.747 -4.614 -7.612 1.00 0.00 C ATOM 331 NH1 ARG A 26 5.857 -3.863 -7.595 1.00 0.00 N ATOM 332 NH2 ARG A 26 4.048 -4.751 -8.746 1.00 0.00 N ATOM 0 H ARG A 26 3.787 -2.356 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 26 6.190 -1.018 -3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.326 -2.763 -5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.475 -3.475 -3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.104 -4.166 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.853 -3.344 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.116 -5.115 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.825 -6.026 -4.595 1.00 0.00 H new ATOM 0 HE ARG A 26 3.490 -5.792 -6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.389 -3.759 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.169 -3.395 -8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.204 -5.323 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.360 -4.283 -9.597 1.00 0.00 H new ATOM 862 N ILE A 63 -1.998 -3.364 -3.122 1.00 0.00 N ATOM 863 CA ILE A 63 -0.956 -2.968 -2.188 1.00 0.00 C ATOM 864 C ILE A 63 0.174 -3.998 -2.224 1.00 0.00 C ATOM 865 O ILE A 63 1.292 -3.683 -2.631 1.00 0.00 O ATOM 866 CB ILE A 63 -1.543 -2.747 -0.793 1.00 0.00 C ATOM 867 CG1 ILE A 63 -2.722 -1.774 -0.841 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.464 -2.290 0.191 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.449 -0.628 -1.820 1.00 0.00 C ATOM 0 HA ILE A 63 -0.524 -2.011 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.927 -3.701 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.625 -2.306 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.906 -1.370 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.909 -2.140 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.314 -3.050 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.028 -1.353 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.303 0.049 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.559 -0.083 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.290 -1.033 -2.819 1.00 0.00 H new ATOM 880 N PHE A 64 -0.154 -5.206 -1.791 1.00 0.00 N ATOM 881 CA PHE A 64 0.821 -6.283 -1.769 1.00 0.00 C ATOM 882 C PHE A 64 2.070 -5.876 -0.987 1.00 0.00 C ATOM 883 O PHE A 64 2.869 -5.069 -1.461 1.00 0.00 O ATOM 884 CB PHE A 64 1.211 -6.563 -3.221 1.00 0.00 C ATOM 885 CG PHE A 64 0.100 -7.210 -4.051 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.596 -8.265 -3.549 1.00 0.00 C ATOM 887 CD2 PHE A 64 -0.191 -6.731 -5.289 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.627 -8.866 -4.319 1.00 0.00 C ATOM 889 CE2 PHE A 64 -1.222 -7.332 -6.060 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.919 -8.388 -5.557 1.00 0.00 C ATOM 0 H PHE A 64 -1.081 -5.463 -1.453 1.00 0.00 H new ATOM 0 HA PHE A 64 0.394 -7.162 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.505 -5.626 -3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.085 -7.214 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.365 -8.646 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.362 -5.893 -5.687 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.180 -9.704 -3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.453 -6.952 -7.044 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.703 -8.845 -6.142 1.00 0.00 H new ATOM 899 N VAL A 65 2.202 -6.452 0.200 1.00 0.00 N ATOM 900 CA VAL A 65 3.341 -6.158 1.052 1.00 0.00 C ATOM 901 C VAL A 65 4.632 -6.348 0.254 1.00 0.00 C ATOM 902 O VAL A 65 4.652 -7.074 -0.739 1.00 0.00 O ATOM 903 CB VAL A 65 3.286 -7.021 2.315 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.506 -6.771 3.204 1.00 0.00 C ATOM 905 CG2 VAL A 65 1.986 -6.783 3.086 1.00 0.00 C ATOM 0 H VAL A 65 1.538 -7.121 0.591 1.00 0.00 H new ATOM 0 HA VAL A 65 3.313 -5.120 1.382 1.00 0.00 H new ATOM 0 HB VAL A 65 3.305 -8.066 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.442 -7.397 4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.414 -7.016 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.532 -5.722 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.973 -7.408 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.922 -5.734 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.136 -7.036 2.453 1.00 0.00 H new ATOM 915 N LYS A 66 5.680 -5.682 0.716 1.00 0.00 N ATOM 916 CA LYS A 66 6.972 -5.768 0.058 1.00 0.00 C ATOM 917 C LYS A 66 7.962 -6.485 0.977 1.00 0.00 C ATOM 918 O LYS A 66 8.553 -7.492 0.594 1.00 0.00 O ATOM 919 CB LYS A 66 7.440 -4.381 -0.387 1.00 0.00 C ATOM 920 CG LYS A 66 8.956 -4.354 -0.595 1.00 0.00 C ATOM 921 CD LYS A 66 9.352 -5.145 -1.843 1.00 0.00 C ATOM 922 CE LYS A 66 10.573 -4.523 -2.523 1.00 0.00 C ATOM 923 NZ LYS A 66 10.152 -3.574 -3.577 1.00 0.00 N ATOM 0 H LYS A 66 5.660 -5.080 1.539 1.00 0.00 H new ATOM 0 HA LYS A 66 6.896 -6.361 -0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.937 -4.104 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.159 -3.641 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.295 -3.323 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.454 -4.773 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.570 -6.177 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.516 -5.171 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.185 -4.006 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.193 -5.307 -2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.993 -3.161 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.587 -4.077 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.579 -2.816 -3.153 1.00 0.00 H new ATOM 933 N GLN A 67 8.112 -5.937 2.174 1.00 0.00 N ATOM 934 CA GLN A 67 9.020 -6.513 3.152 1.00 0.00 C ATOM 935 C GLN A 67 8.363 -6.541 4.535 1.00 0.00 C ATOM 936 O GLN A 67 7.301 -5.953 4.733 1.00 0.00 O ATOM 937 CB GLN A 67 10.342 -5.746 3.189 1.00 0.00 C ATOM 938 CG GLN A 67 10.194 -4.435 3.964 1.00 0.00 C ATOM 939 CD GLN A 67 11.058 -4.444 5.226 1.00 0.00 C ATOM 940 OE1 GLN A 67 11.935 -5.273 5.405 1.00 0.00 O ATOM 941 NE2 GLN A 67 10.761 -3.477 6.092 1.00 0.00 N ATOM 0 H GLN A 67 7.620 -5.101 2.489 1.00 0.00 H new ATOM 0 HA GLN A 67 9.240 -7.538 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.111 -6.363 3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.673 -5.536 2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.482 -3.598 3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.149 -4.285 4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.014 -2.815 5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.280 -3.398 6.967 1.00 0.00 H new ATOM 948 N VAL A 68 9.022 -7.231 5.454 1.00 0.00 N ATOM 949 CA VAL A 68 8.517 -7.343 6.812 1.00 0.00 C ATOM 950 C VAL A 68 9.686 -7.585 7.768 1.00 0.00 C ATOM 951 O VAL A 68 10.370 -8.601 7.672 1.00 0.00 O ATOM 952 CB VAL A 68 7.449 -8.438 6.883 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.260 -8.925 8.321 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.125 -7.952 6.290 1.00 0.00 C ATOM 0 H VAL A 68 9.902 -7.718 5.285 1.00 0.00 H new ATOM 0 HA VAL A 68 8.034 -6.415 7.119 1.00 0.00 H new ATOM 0 HB VAL A 68 7.793 -9.282 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.496 -9.702 8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.201 -9.329 8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.948 -8.091 8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.384 -8.749 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.773 -7.084 6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.273 -7.676 5.246 1.00 0.00 H new ATOM 964 N LYS A 69 9.877 -6.633 8.669 1.00 0.00 N ATOM 965 CA LYS A 69 10.952 -6.728 9.642 1.00 0.00 C ATOM 966 C LYS A 69 10.808 -8.034 10.425 1.00 0.00 C ATOM 967 O LYS A 69 9.771 -8.285 11.036 1.00 0.00 O ATOM 968 CB LYS A 69 10.987 -5.480 10.527 1.00 0.00 C ATOM 969 CG LYS A 69 12.415 -5.168 10.979 1.00 0.00 C ATOM 970 CD LYS A 69 12.875 -6.147 12.061 1.00 0.00 C ATOM 971 CE LYS A 69 14.372 -5.998 12.335 1.00 0.00 C ATOM 972 NZ LYS A 69 14.628 -5.935 13.791 1.00 0.00 N ATOM 0 H LYS A 69 9.305 -5.792 8.746 1.00 0.00 H new ATOM 0 HA LYS A 69 11.919 -6.760 9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.581 -4.630 9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.350 -5.630 11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.090 -5.221 10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.464 -4.148 11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.314 -5.970 12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.659 -7.168 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.913 -6.839 11.901 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.748 -5.095 11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.649 -5.834 13.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.127 -5.119 14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.288 -6.808 14.241 1.00 0.00 H new ATOM 982 N GLU A 70 11.866 -8.831 10.385 1.00 0.00 N ATOM 983 CA GLU A 70 11.871 -10.105 11.083 1.00 0.00 C ATOM 984 C GLU A 70 11.943 -9.881 12.595 1.00 0.00 C ATOM 985 O GLU A 70 13.023 -9.932 13.181 1.00 0.00 O ATOM 986 CB GLU A 70 13.023 -10.989 10.604 1.00 0.00 C ATOM 987 CG GLU A 70 12.610 -12.462 10.578 1.00 0.00 C ATOM 988 CD GLU A 70 13.761 -13.362 11.035 1.00 0.00 C ATOM 989 OE1 GLU A 70 14.837 -13.270 10.407 1.00 0.00 O ATOM 990 OE2 GLU A 70 13.537 -14.121 12.003 1.00 0.00 O ATOM 0 H GLU A 70 12.726 -8.619 9.880 1.00 0.00 H new ATOM 0 HA GLU A 70 10.940 -10.625 10.856 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.335 -10.677 9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.883 -10.860 11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.746 -12.613 11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.304 -12.740 9.569 1.00 0.00 H new ATOM 995 N GLY A 71 10.782 -9.638 13.181 1.00 0.00 N ATOM 996 CA GLY A 71 10.700 -9.406 14.614 1.00 0.00 C ATOM 997 C GLY A 71 10.056 -8.051 14.914 1.00 0.00 C ATOM 998 O GLY A 71 9.972 -7.642 16.071 1.00 0.00 O ATOM 0 H GLY A 71 9.889 -9.596 12.691 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.119 -10.201 15.082 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.698 -9.443 15.050 1.00 0.00 H new ATOM 1002 N GLY A 72 9.615 -7.392 13.852 1.00 0.00 N ATOM 1003 CA GLY A 72 8.980 -6.092 13.987 1.00 0.00 C ATOM 1004 C GLY A 72 7.510 -6.240 14.384 1.00 0.00 C ATOM 1005 O GLY A 72 7.091 -7.299 14.847 1.00 0.00 O ATOM 0 H GLY A 72 9.685 -7.735 12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.506 -5.502 14.738 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.053 -5.548 13.046 1.00 0.00 H new ATOM 1009 N PRO A 73 6.747 -5.131 14.186 1.00 0.00 N ATOM 1010 CA PRO A 73 5.332 -5.125 14.518 1.00 0.00 C ATOM 1011 C PRO A 73 4.524 -5.911 13.484 1.00 0.00 C ATOM 1012 O PRO A 73 3.764 -6.810 13.838 1.00 0.00 O ATOM 1013 CB PRO A 73 4.950 -3.656 14.582 1.00 0.00 C ATOM 1014 CG PRO A 73 6.038 -2.908 13.831 1.00 0.00 C ATOM 1015 CD PRO A 73 7.210 -3.858 13.640 1.00 0.00 C ATOM 0 HA PRO A 73 5.119 -5.619 15.466 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.974 -3.486 14.127 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.884 -3.315 15.615 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.667 -2.561 12.867 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.349 -2.025 14.389 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.476 -3.952 12.587 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.098 -3.502 14.163 1.00 0.00 H new ATOM 1020 N ALA A 74 4.714 -5.541 12.226 1.00 0.00 N ATOM 1021 CA ALA A 74 4.012 -6.200 11.137 1.00 0.00 C ATOM 1022 C ALA A 74 4.233 -7.711 11.233 1.00 0.00 C ATOM 1023 O ALA A 74 3.275 -8.482 11.256 1.00 0.00 O ATOM 1024 CB ALA A 74 4.486 -5.625 9.802 1.00 0.00 C ATOM 0 H ALA A 74 5.344 -4.793 11.936 1.00 0.00 H new ATOM 0 HA ALA A 74 2.939 -6.019 11.207 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.960 -6.119 8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.279 -4.555 9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.558 -5.790 9.695 1.00 0.00 H new ATOM 1030 N PHE A 75 5.501 -8.089 11.288 1.00 0.00 N ATOM 1031 CA PHE A 75 5.860 -9.494 11.382 1.00 0.00 C ATOM 1032 C PHE A 75 5.046 -10.197 12.469 1.00 0.00 C ATOM 1033 O PHE A 75 4.408 -11.216 12.212 1.00 0.00 O ATOM 1034 CB PHE A 75 7.343 -9.553 11.752 1.00 0.00 C ATOM 1035 CG PHE A 75 7.744 -10.817 12.517 1.00 0.00 C ATOM 1036 CD1 PHE A 75 7.611 -12.036 11.930 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.231 -10.720 13.782 1.00 0.00 C ATOM 1038 CE1 PHE A 75 7.983 -13.209 12.639 1.00 0.00 C ATOM 1039 CE2 PHE A 75 8.603 -11.893 14.492 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.470 -13.113 13.905 1.00 0.00 C ATOM 0 H PHE A 75 6.293 -7.447 11.269 1.00 0.00 H new ATOM 0 HA PHE A 75 5.657 -9.994 10.435 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.937 -9.488 10.840 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.591 -8.681 12.357 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.223 -12.112 10.925 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.335 -9.751 14.248 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.879 -14.178 12.173 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.991 -11.816 15.497 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.751 -14.005 14.444 1.00 0.00 H new ATOM 1049 N GLU A 76 5.094 -9.624 13.664 1.00 0.00 N ATOM 1050 CA GLU A 76 4.370 -10.183 14.792 1.00 0.00 C ATOM 1051 C GLU A 76 2.871 -10.234 14.487 1.00 0.00 C ATOM 1052 O GLU A 76 2.244 -11.283 14.613 1.00 0.00 O ATOM 1053 CB GLU A 76 4.643 -9.385 16.068 1.00 0.00 C ATOM 1054 CG GLU A 76 6.144 -9.290 16.344 1.00 0.00 C ATOM 1055 CD GLU A 76 6.571 -10.292 17.418 1.00 0.00 C ATOM 1056 OE1 GLU A 76 5.802 -10.444 18.390 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.657 -10.886 17.240 1.00 0.00 O ATOM 0 H GLU A 76 5.624 -8.778 13.874 1.00 0.00 H new ATOM 0 HA GLU A 76 4.722 -11.201 14.957 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.223 -8.384 15.972 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.144 -9.860 16.912 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.699 -9.479 15.425 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.395 -8.279 16.665 1.00 0.00 H new ATOM 1062 N ALA A 77 2.342 -9.085 14.092 1.00 0.00 N ATOM 1063 CA ALA A 77 0.928 -8.985 13.767 1.00 0.00 C ATOM 1064 C ALA A 77 0.506 -10.216 12.962 1.00 0.00 C ATOM 1065 O ALA A 77 -0.651 -10.628 13.013 1.00 0.00 O ATOM 1066 CB ALA A 77 0.667 -7.677 13.016 1.00 0.00 C ATOM 0 H ALA A 77 2.866 -8.216 13.990 1.00 0.00 H new ATOM 0 HA ALA A 77 0.326 -8.964 14.675 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.393 -7.602 12.773 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.955 -6.834 13.643 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.252 -7.662 12.097 1.00 0.00 H new ATOM 1072 N GLY A 78 1.467 -10.766 12.235 1.00 0.00 N ATOM 1073 CA GLY A 78 1.210 -11.941 11.419 1.00 0.00 C ATOM 1074 C GLY A 78 1.252 -11.594 9.930 1.00 0.00 C ATOM 1075 O GLY A 78 0.671 -12.301 9.106 1.00 0.00 O ATOM 0 H GLY A 78 2.426 -10.420 12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.951 -12.709 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.235 -12.357 11.672 1.00 0.00 H new ATOM 1079 N LEU A 79 1.946 -10.505 9.628 1.00 0.00 N ATOM 1080 CA LEU A 79 2.072 -10.057 8.252 1.00 0.00 C ATOM 1081 C LEU A 79 3.192 -10.838 7.565 1.00 0.00 C ATOM 1082 O LEU A 79 3.710 -11.805 8.120 1.00 0.00 O ATOM 1083 CB LEU A 79 2.259 -8.539 8.198 1.00 0.00 C ATOM 1084 CG LEU A 79 1.529 -7.812 7.067 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.077 -7.517 7.451 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.282 -6.546 6.654 1.00 0.00 C ATOM 0 H LEU A 79 2.426 -9.921 10.313 1.00 0.00 H new ATOM 0 HA LEU A 79 1.155 -10.263 7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.927 -8.118 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.325 -8.327 8.111 1.00 0.00 H new ATOM 0 HG LEU A 79 1.504 -8.470 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.419 -7.000 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.442 -8.453 7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.057 -6.888 8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.742 -6.048 5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.360 -5.874 7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.281 -6.813 6.310 1.00 0.00 H new ATOM 1097 N CYS A 80 3.536 -10.390 6.366 1.00 0.00 N ATOM 1098 CA CYS A 80 4.587 -11.035 5.598 1.00 0.00 C ATOM 1099 C CYS A 80 4.710 -10.316 4.254 1.00 0.00 C ATOM 1100 O CYS A 80 4.184 -9.216 4.083 1.00 0.00 O ATOM 1101 CB CYS A 80 4.320 -12.532 5.422 1.00 0.00 C ATOM 1102 SG CYS A 80 5.547 -13.502 6.373 1.00 0.00 S ATOM 0 H CYS A 80 3.105 -9.587 5.908 1.00 0.00 H new ATOM 0 HA CYS A 80 5.532 -10.961 6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.312 -12.772 5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.373 -12.798 4.366 1.00 0.00 H new ATOM 0 HG CYS A 80 5.380 -13.287 7.644 1.00 0.00 H new ATOM 1107 N THR A 81 5.410 -10.964 3.334 1.00 0.00 N ATOM 1108 CA THR A 81 5.609 -10.399 2.010 1.00 0.00 C ATOM 1109 C THR A 81 4.691 -11.083 0.994 1.00 0.00 C ATOM 1110 O THR A 81 4.631 -12.309 0.934 1.00 0.00 O ATOM 1111 CB THR A 81 7.095 -10.519 1.663 1.00 0.00 C ATOM 1112 OG1 THR A 81 7.455 -11.817 2.127 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.966 -9.572 2.489 1.00 0.00 C ATOM 0 H THR A 81 5.846 -11.875 3.479 1.00 0.00 H new ATOM 0 HA THR A 81 5.339 -9.343 1.986 1.00 0.00 H new ATOM 0 HB THR A 81 7.239 -10.312 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.403 -11.980 1.941 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.011 -9.697 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.660 -8.542 2.304 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.849 -9.801 3.548 1.00 0.00 H new ATOM 1121 N GLY A 82 3.998 -10.260 0.222 1.00 0.00 N ATOM 1122 CA GLY A 82 3.086 -10.770 -0.787 1.00 0.00 C ATOM 1123 C GLY A 82 1.630 -10.519 -0.388 1.00 0.00 C ATOM 1124 O GLY A 82 0.774 -10.311 -1.247 1.00 0.00 O ATOM 0 H GLY A 82 4.050 -9.243 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.292 -10.291 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.250 -11.839 -0.924 1.00 0.00 H new ATOM 1128 N ASP A 83 1.394 -10.545 0.915 1.00 0.00 N ATOM 1129 CA ASP A 83 0.057 -10.322 1.439 1.00 0.00 C ATOM 1130 C ASP A 83 -0.506 -9.025 0.855 1.00 0.00 C ATOM 1131 O ASP A 83 0.164 -7.993 0.867 1.00 0.00 O ATOM 1132 CB ASP A 83 0.078 -10.185 2.962 1.00 0.00 C ATOM 1133 CG ASP A 83 0.559 -11.426 3.716 1.00 0.00 C ATOM 1134 OD1 ASP A 83 1.611 -11.966 3.310 1.00 0.00 O ATOM 1135 OD2 ASP A 83 -0.136 -11.807 4.684 1.00 0.00 O ATOM 0 H ASP A 83 2.107 -10.717 1.624 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.560 -11.177 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.720 -9.345 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.927 -9.938 3.303 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.729 -9.119 0.357 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.390 -7.966 -0.232 1.00 0.00 C ATOM 1141 C ARG A 84 -3.253 -7.260 0.814 1.00 0.00 C ATOM 1142 O ARG A 84 -3.997 -7.906 1.551 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.268 -8.379 -1.414 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.043 -7.180 -1.965 1.00 0.00 C ATOM 1145 CD ARG A 84 -5.165 -7.635 -2.903 1.00 0.00 C ATOM 1146 NE ARG A 84 -6.442 -7.001 -2.509 1.00 0.00 N ATOM 1147 CZ ARG A 84 -7.647 -7.425 -2.915 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -7.746 -8.485 -3.728 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -8.753 -6.787 -2.508 1.00 0.00 N ATOM 0 H ARG A 84 -2.281 -9.977 0.349 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.617 -7.286 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.647 -8.808 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.966 -9.155 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.464 -6.605 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.363 -6.518 -2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.920 -7.370 -3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.262 -8.720 -2.868 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.403 -6.191 -1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.904 -8.970 -4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.663 -8.807 -4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.677 -5.979 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.670 -7.109 -2.817 1.00 0.00 H new ATOM 1160 N ILE A 85 -3.126 -5.941 0.846 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.887 -5.138 1.791 1.00 0.00 C ATOM 1162 C ILE A 85 -5.288 -4.888 1.228 1.00 0.00 C ATOM 1163 O ILE A 85 -5.442 -4.602 0.042 1.00 0.00 O ATOM 1164 CB ILE A 85 -3.125 -3.857 2.139 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.667 -4.164 2.484 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.830 -3.088 3.257 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.567 -4.977 3.777 1.00 0.00 C ATOM 0 H ILE A 85 -2.508 -5.408 0.234 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.013 -5.672 2.733 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.118 -3.212 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.205 -4.717 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.112 -3.232 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.269 -2.182 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.836 -2.820 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.888 -3.713 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.519 -5.181 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.008 -4.411 4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.103 -5.919 3.657 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.272 -5.004 2.107 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.654 -4.794 1.713 1.00 0.00 C ATOM 1180 C ILE A 86 -8.198 -3.550 2.420 1.00 0.00 C ATOM 1181 O ILE A 86 -9.005 -2.814 1.855 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.482 -6.056 1.967 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.500 -6.410 3.456 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.983 -7.220 1.107 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.479 -7.551 3.735 1.00 0.00 C ATOM 0 H ILE A 86 -6.140 -5.241 3.090 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.720 -4.607 0.641 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.512 -5.855 1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.499 -6.698 3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.782 -5.533 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.588 -8.105 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.064 -6.955 0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.941 -7.431 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.473 -7.783 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.483 -7.251 3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.180 -8.433 3.169 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.734 -3.355 3.646 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.163 -2.214 4.435 1.00 0.00 C ATOM 1198 C LYS A 87 -6.949 -1.591 5.126 1.00 0.00 C ATOM 1199 O LYS A 87 -5.898 -2.222 5.229 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.279 -2.619 5.401 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.559 -2.974 4.640 1.00 0.00 C ATOM 1202 CD LYS A 87 -11.030 -4.387 4.988 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.649 -5.074 3.769 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.756 -5.964 4.182 1.00 0.00 N ATOM 0 H LYS A 87 -7.065 -3.968 4.112 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.593 -1.447 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.957 -3.473 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.479 -1.803 6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.342 -2.256 4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.381 -2.900 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.188 -4.975 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.761 -4.342 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.019 -4.324 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.888 -5.651 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.165 -6.422 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.393 -6.691 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.490 -5.405 4.663 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.133 -0.360 5.581 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.066 0.355 6.259 1.00 0.00 C ATOM 1216 C VAL A 88 -6.672 1.337 7.264 1.00 0.00 C ATOM 1217 O VAL A 88 -7.415 2.239 6.883 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.158 1.035 5.234 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.143 1.951 5.921 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.454 0.000 4.353 1.00 0.00 C ATOM 0 H VAL A 88 -8.006 0.160 5.493 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.439 -0.339 6.820 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.784 1.653 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.510 2.422 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.670 2.721 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.524 1.364 6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.814 0.510 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.847 -0.656 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.199 -0.592 3.821 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.333 1.125 8.527 1.00 0.00 N ATOM 1231 CA ASN A 89 -6.835 1.980 9.589 1.00 0.00 C ATOM 1232 C ASN A 89 -8.340 2.187 9.404 1.00 0.00 C ATOM 1233 O ASN A 89 -8.808 3.322 9.316 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.162 3.354 9.557 1.00 0.00 C ATOM 1235 CG ASN A 89 -4.852 3.340 10.346 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.619 2.498 11.199 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.011 4.318 10.018 1.00 0.00 N ATOM 0 H ASN A 89 -5.717 0.374 8.839 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.619 1.495 10.541 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.966 3.643 8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.835 4.103 9.975 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.110 4.395 10.490 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.268 4.990 9.295 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.056 1.074 9.347 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.498 1.119 9.173 1.00 0.00 C ATOM 1245 C GLY A 90 -10.878 1.998 7.979 1.00 0.00 C ATOM 1246 O GLY A 90 -12.005 2.487 7.898 1.00 0.00 O ATOM 0 H GLY A 90 -8.664 0.135 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.882 0.110 9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.965 1.507 10.078 1.00 0.00 H new ATOM 1250 N GLU A 91 -9.919 2.170 7.083 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.138 2.981 5.897 1.00 0.00 C ATOM 1252 C GLU A 91 -9.864 2.161 4.636 1.00 0.00 C ATOM 1253 O GLU A 91 -8.778 2.244 4.061 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.276 4.244 5.929 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.147 5.499 6.030 1.00 0.00 C ATOM 1256 CD GLU A 91 -10.797 5.825 4.685 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.328 4.878 4.066 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -10.749 7.015 4.305 1.00 0.00 O ATOM 0 H GLU A 91 -8.987 1.761 7.154 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.182 3.295 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.593 4.201 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.663 4.294 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.919 5.350 6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.539 6.342 6.358 1.00 0.00 H new ATOM 1263 N SER A 92 -10.865 1.389 4.240 1.00 0.00 N ATOM 1264 CA SER A 92 -10.744 0.554 3.056 1.00 0.00 C ATOM 1265 C SER A 92 -10.005 1.314 1.954 1.00 0.00 C ATOM 1266 O SER A 92 -10.329 2.465 1.663 1.00 0.00 O ATOM 1267 CB SER A 92 -12.119 0.103 2.559 1.00 0.00 C ATOM 1268 OG SER A 92 -13.039 1.186 2.478 1.00 0.00 O ATOM 0 H SER A 92 -11.764 1.324 4.718 1.00 0.00 H new ATOM 0 HA SER A 92 -10.173 -0.336 3.321 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.016 -0.359 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.515 -0.659 3.230 1.00 0.00 H new ATOM 0 HG SER A 92 -13.904 0.857 2.155 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.026 0.641 1.368 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.238 1.238 0.303 1.00 0.00 C ATOM 1275 C VAL A 93 -9.140 1.511 -0.901 1.00 0.00 C ATOM 1276 O VAL A 93 -8.919 2.467 -1.642 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.046 0.340 -0.032 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -6.377 -0.183 1.240 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.469 -0.815 -0.943 1.00 0.00 C ATOM 0 H VAL A 93 -8.760 -0.313 1.611 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.826 2.195 0.623 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.315 0.943 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.533 -0.819 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.023 0.658 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.097 -0.761 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.603 -1.438 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.228 -1.415 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.877 -0.415 -1.871 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.137 0.653 -1.059 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.074 0.789 -2.161 1.00 0.00 C ATOM 1291 C ILE A 94 -11.523 2.249 -2.266 1.00 0.00 C ATOM 1292 O ILE A 94 -12.236 2.747 -1.397 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.231 -0.199 -2.006 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -11.756 -1.638 -2.218 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.390 0.163 -2.937 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.002 -2.486 -0.970 1.00 0.00 C ATOM 0 H ILE A 94 -10.316 -0.139 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.591 0.534 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.604 -0.129 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.279 -2.076 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.693 -1.642 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.199 -0.555 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.751 1.163 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.047 0.139 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.655 -3.504 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.458 -2.059 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.068 -2.500 -0.744 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.085 2.893 -3.339 1.00 0.00 N ATOM 1308 CA GLY A 95 -11.432 4.285 -3.569 1.00 0.00 C ATOM 1309 C GLY A 95 -10.263 5.208 -3.217 1.00 0.00 C ATOM 1310 O GLY A 95 -10.440 6.418 -3.085 1.00 0.00 O ATOM 0 H GLY A 95 -10.493 2.476 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.710 4.426 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.303 4.550 -2.969 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.094 4.601 -3.075 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.897 5.351 -2.742 1.00 0.00 C ATOM 1316 C LYS A 96 -6.841 5.129 -3.827 1.00 0.00 C ATOM 1317 O LYS A 96 -6.951 4.197 -4.623 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.414 4.994 -1.333 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.374 5.536 -0.272 1.00 0.00 C ATOM 1320 CD LYS A 96 -7.874 5.210 1.137 1.00 0.00 C ATOM 1321 CE LYS A 96 -8.803 5.799 2.199 1.00 0.00 C ATOM 1322 NZ LYS A 96 -8.200 7.010 2.801 1.00 0.00 N ATOM 0 H LYS A 96 -8.951 3.597 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.113 6.419 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.332 3.911 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.417 5.405 -1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.475 6.615 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.365 5.106 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.811 4.129 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.867 5.606 1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.765 6.049 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.995 5.057 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.716 7.260 3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.204 6.823 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.256 7.798 2.125 1.00 0.00 H new ATOM 1332 N THR A 97 -5.842 6.000 -3.825 1.00 0.00 N ATOM 1333 CA THR A 97 -4.769 5.910 -4.799 1.00 0.00 C ATOM 1334 C THR A 97 -3.450 5.558 -4.109 1.00 0.00 C ATOM 1335 O THR A 97 -2.443 6.238 -4.304 1.00 0.00 O ATOM 1336 CB THR A 97 -4.718 7.231 -5.570 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.897 6.944 -6.699 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.949 8.319 -4.818 1.00 0.00 C ATOM 0 H THR A 97 -5.754 6.771 -3.164 1.00 0.00 H new ATOM 0 HA THR A 97 -4.950 5.107 -5.513 1.00 0.00 H new ATOM 0 HB THR A 97 -5.734 7.574 -5.767 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.022 6.624 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.943 9.235 -5.409 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.431 8.509 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.924 7.989 -4.649 1.00 0.00 H new ATOM 1346 N TYR A 98 -3.498 4.499 -3.316 1.00 0.00 N ATOM 1347 CA TYR A 98 -2.320 4.049 -2.596 1.00 0.00 C ATOM 1348 C TYR A 98 -1.771 5.157 -1.693 1.00 0.00 C ATOM 1349 O TYR A 98 -1.947 5.115 -0.477 1.00 0.00 O ATOM 1350 CB TYR A 98 -1.275 3.713 -3.663 1.00 0.00 C ATOM 1351 CG TYR A 98 0.093 3.330 -3.097 1.00 0.00 C ATOM 1352 CD1 TYR A 98 0.203 2.279 -2.209 1.00 0.00 C ATOM 1353 CD2 TYR A 98 1.219 4.037 -3.471 1.00 0.00 C ATOM 1354 CE1 TYR A 98 1.492 1.918 -1.675 1.00 0.00 C ATOM 1355 CE2 TYR A 98 2.506 3.676 -2.938 1.00 0.00 C ATOM 1356 CZ TYR A 98 2.579 2.635 -2.067 1.00 0.00 C ATOM 1357 OH TYR A 98 3.795 2.295 -1.562 1.00 0.00 O ATOM 0 H TYR A 98 -4.335 3.939 -3.156 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.561 3.195 -1.963 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.647 2.891 -4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.156 4.572 -4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.677 1.727 -1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.134 4.861 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.592 1.097 -0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.394 4.220 -3.224 1.00 0.00 H new ATOM 0 HH TYR A 98 4.480 2.891 -1.930 1.00 0.00 H new ATOM 1366 N SER A 99 -1.119 6.122 -2.326 1.00 0.00 N ATOM 1367 CA SER A 99 -0.545 7.239 -1.597 1.00 0.00 C ATOM 1368 C SER A 99 -1.475 7.652 -0.454 1.00 0.00 C ATOM 1369 O SER A 99 -1.017 8.127 0.585 1.00 0.00 O ATOM 1370 CB SER A 99 -0.284 8.427 -2.524 1.00 0.00 C ATOM 1371 OG SER A 99 0.930 9.100 -2.201 1.00 0.00 O ATOM 0 H SER A 99 -0.976 6.153 -3.335 1.00 0.00 H new ATOM 0 HA SER A 99 0.411 6.920 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.242 8.079 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.116 9.128 -2.458 1.00 0.00 H new ATOM 0 HG SER A 99 1.061 9.851 -2.817 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.765 7.455 -0.683 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.764 7.802 0.313 1.00 0.00 C ATOM 1378 C GLN A 100 -3.592 6.932 1.560 1.00 0.00 C ATOM 1379 O GLN A 100 -3.305 7.442 2.641 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.178 7.668 -0.259 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.774 9.041 -0.571 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.846 9.420 0.453 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -6.589 9.550 1.639 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -8.057 9.590 -0.067 1.00 0.00 N ATOM 0 H GLN A 100 -3.141 7.059 -1.544 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.620 8.844 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.152 7.064 -1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.815 7.144 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.984 9.792 -0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.208 9.034 -1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.204 9.466 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.840 9.845 0.536 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.776 5.634 1.368 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.643 4.689 2.465 1.00 0.00 C ATOM 1393 C VAL A 101 -2.261 4.845 3.103 1.00 0.00 C ATOM 1394 O VAL A 101 -2.102 4.636 4.304 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.915 3.269 1.967 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -5.345 3.138 1.438 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.898 2.857 0.902 1.00 0.00 C ATOM 0 H VAL A 101 -4.016 5.214 0.470 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.383 4.895 3.239 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.807 2.591 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.512 2.119 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.051 3.370 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.492 3.832 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.114 1.843 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.960 3.541 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.894 2.892 1.325 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.298 5.209 2.271 1.00 0.00 N ATOM 1408 CA ILE A 102 0.065 5.394 2.738 1.00 0.00 C ATOM 1409 C ILE A 102 0.069 6.385 3.905 1.00 0.00 C ATOM 1410 O ILE A 102 0.709 6.142 4.927 1.00 0.00 O ATOM 1411 CB ILE A 102 0.978 5.804 1.581 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.253 4.618 0.654 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.270 6.439 2.099 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.179 3.602 1.325 1.00 0.00 C ATOM 0 H ILE A 102 -1.434 5.381 1.275 1.00 0.00 H new ATOM 0 HA ILE A 102 0.469 4.454 3.114 1.00 0.00 H new ATOM 0 HB ILE A 102 0.462 6.562 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.313 4.136 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.706 4.973 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.900 6.721 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.030 7.326 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.801 5.723 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.359 2.769 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.127 4.081 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.712 3.231 2.238 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.653 7.479 3.713 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.741 8.506 4.736 1.00 0.00 C ATOM 1427 C ALA A 103 -1.351 7.906 6.005 1.00 0.00 C ATOM 1428 O ALA A 103 -0.925 8.225 7.113 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.551 9.690 4.203 1.00 0.00 C ATOM 0 H ALA A 103 -1.182 7.676 2.864 1.00 0.00 H new ATOM 0 HA ALA A 103 0.251 8.878 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.617 10.461 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.060 10.099 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.554 9.355 3.938 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.338 7.047 5.799 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.011 6.398 6.911 1.00 0.00 C ATOM 1437 C LEU A 104 -1.989 5.604 7.727 1.00 0.00 C ATOM 1438 O LEU A 104 -2.082 5.538 8.952 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.186 5.557 6.410 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.380 6.336 5.856 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.461 5.385 5.337 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.928 7.314 6.898 1.00 0.00 C ATOM 0 H LEU A 104 -2.688 6.785 4.878 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.445 7.141 7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.822 4.887 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.535 4.931 7.231 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.038 6.929 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.299 5.964 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.048 4.765 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.807 4.748 6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.776 7.855 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.250 6.762 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.148 8.022 7.178 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.036 5.020 7.014 1.00 0.00 N ATOM 1454 CA ILE A 105 0.003 4.232 7.657 1.00 0.00 C ATOM 1455 C ILE A 105 0.975 5.169 8.377 1.00 0.00 C ATOM 1456 O ILE A 105 1.470 4.845 9.456 1.00 0.00 O ATOM 1457 CB ILE A 105 0.678 3.307 6.642 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.273 2.196 6.195 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.990 2.749 7.197 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.101 1.893 4.705 1.00 0.00 C ATOM 0 H ILE A 105 -0.962 5.077 5.998 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.428 3.577 8.414 1.00 0.00 H new ATOM 0 HB ILE A 105 0.926 3.894 5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.084 1.294 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.303 2.493 6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.449 2.095 6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.668 3.572 7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.789 2.182 8.106 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.789 1.099 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.315 2.790 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.923 1.573 4.515 1.00 0.00 H new ATOM 1471 N GLN A 106 1.218 6.312 7.753 1.00 0.00 N ATOM 1472 CA GLN A 106 2.123 7.298 8.321 1.00 0.00 C ATOM 1473 C GLN A 106 1.446 8.031 9.481 1.00 0.00 C ATOM 1474 O GLN A 106 2.110 8.444 10.431 1.00 0.00 O ATOM 1475 CB GLN A 106 2.601 8.282 7.253 1.00 0.00 C ATOM 1476 CG GLN A 106 3.467 7.578 6.206 1.00 0.00 C ATOM 1477 CD GLN A 106 4.795 8.312 6.010 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.253 9.059 6.859 1.00 0.00 O ATOM 1479 NE2 GLN A 106 5.387 8.057 4.847 1.00 0.00 N ATOM 0 H GLN A 106 0.804 6.578 6.859 1.00 0.00 H new ATOM 0 HA GLN A 106 3.001 6.779 8.707 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.741 8.744 6.768 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.171 9.084 7.722 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.658 6.551 6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.931 7.530 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.949 7.421 4.180 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.279 8.497 4.621 1.00 0.00 H new ATOM 1486 N ASN A 107 0.133 8.171 9.366 1.00 0.00 N ATOM 1487 CA ASN A 107 -0.640 8.848 10.392 1.00 0.00 C ATOM 1488 C ASN A 107 -1.175 7.816 11.386 1.00 0.00 C ATOM 1489 O ASN A 107 -2.146 8.074 12.095 1.00 0.00 O ATOM 1490 CB ASN A 107 -1.836 9.585 9.786 1.00 0.00 C ATOM 1491 CG ASN A 107 -1.421 10.952 9.241 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -0.882 11.791 9.944 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -1.697 11.129 7.953 1.00 0.00 N ATOM 0 H ASN A 107 -0.414 7.827 8.577 1.00 0.00 H new ATOM 0 HA ASN A 107 0.014 9.567 10.886 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.268 8.986 8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.611 9.711 10.542 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.456 12.008 7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.150 10.385 7.422 1.00 0.00 H new ATOM 1499 N SER A 108 -0.516 6.664 11.408 1.00 0.00 N ATOM 1500 CA SER A 108 -0.913 5.592 12.303 1.00 0.00 C ATOM 1501 C SER A 108 -1.016 6.118 13.737 1.00 0.00 C ATOM 1502 O SER A 108 -1.677 5.510 14.578 1.00 0.00 O ATOM 1503 CB SER A 108 0.075 4.425 12.235 1.00 0.00 C ATOM 1504 OG SER A 108 1.399 4.826 12.579 1.00 0.00 O ATOM 0 H SER A 108 0.290 6.452 10.820 1.00 0.00 H new ATOM 0 HA SER A 108 -1.890 5.226 11.987 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.251 3.634 12.910 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.073 4.006 11.229 1.00 0.00 H new ATOM 0 HG SER A 108 1.917 4.981 11.761 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.355 7.241 13.970 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.365 7.856 15.286 1.00 0.00 C ATOM 1511 C ASP A 109 0.229 6.879 16.304 1.00 0.00 C ATOM 1512 O ASP A 109 1.439 6.863 16.522 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.790 8.190 15.728 1.00 0.00 C ATOM 1514 CG ASP A 109 -1.967 8.417 17.231 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.562 9.507 17.691 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.500 7.495 17.886 1.00 0.00 O ATOM 0 H ASP A 109 0.192 7.742 13.269 1.00 0.00 H new ATOM 0 HA ASP A 109 0.220 8.774 15.234 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.117 9.086 15.200 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.449 7.379 15.419 1.00 0.00 H new ATOM 1520 N THR A 110 -0.652 6.089 16.901 1.00 0.00 N ATOM 1521 CA THR A 110 -0.230 5.112 17.890 1.00 0.00 C ATOM 1522 C THR A 110 0.060 3.766 17.222 1.00 0.00 C ATOM 1523 O THR A 110 1.186 3.275 17.268 1.00 0.00 O ATOM 1524 CB THR A 110 -1.312 5.034 18.969 1.00 0.00 C ATOM 1525 OG1 THR A 110 -1.286 6.320 19.582 1.00 0.00 O ATOM 1526 CG2 THR A 110 -0.942 4.074 20.102 1.00 0.00 C ATOM 0 H THR A 110 -1.655 6.106 16.719 1.00 0.00 H new ATOM 0 HA THR A 110 0.704 5.410 18.366 1.00 0.00 H new ATOM 0 HB THR A 110 -2.252 4.717 18.517 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.953 6.898 19.157 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.744 4.056 20.840 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.799 3.072 19.698 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.019 4.409 20.576 1.00 0.00 H new ATOM 1534 N THR A 111 -0.977 3.208 16.615 1.00 0.00 N ATOM 1535 CA THR A 111 -0.849 1.929 15.937 1.00 0.00 C ATOM 1536 C THR A 111 -1.342 2.038 14.493 1.00 0.00 C ATOM 1537 O THR A 111 -1.969 3.028 14.121 1.00 0.00 O ATOM 1538 CB THR A 111 -1.602 0.880 16.760 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.645 1.618 17.390 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.769 0.343 17.926 1.00 0.00 C ATOM 0 H THR A 111 -1.910 3.618 16.578 1.00 0.00 H new ATOM 0 HA THR A 111 0.194 1.621 15.868 1.00 0.00 H new ATOM 0 HB THR A 111 -1.897 0.053 16.113 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.185 1.015 17.943 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.349 -0.397 18.477 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.139 -0.121 17.541 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.503 1.164 18.592 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.041 1.005 13.719 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.447 0.973 12.325 1.00 0.00 C ATOM 1550 C LEU A 112 -2.206 -0.327 12.049 1.00 0.00 C ATOM 1551 O LEU A 112 -1.608 -1.402 12.004 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.238 1.185 11.411 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.540 1.296 9.915 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.274 -0.032 9.202 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.965 1.798 9.679 1.00 0.00 C ATOM 0 H LEU A 112 -0.521 0.185 14.031 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.131 1.794 12.108 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.276 2.093 11.726 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.456 0.358 11.561 1.00 0.00 H new ATOM 0 HG LEU A 112 0.136 2.034 9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.496 0.074 8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.773 -0.309 9.328 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.909 -0.808 9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.153 1.868 8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.675 1.103 10.128 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.084 2.782 10.133 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.511 -0.186 11.872 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.358 -1.335 11.603 1.00 0.00 C ATOM 1568 C GLU A 113 -4.321 -1.685 10.113 1.00 0.00 C ATOM 1569 O GLU A 113 -4.489 -0.813 9.262 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.793 -1.080 12.069 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.611 -2.373 12.055 1.00 0.00 C ATOM 1572 CD GLU A 113 -8.107 -2.077 12.186 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.744 -1.893 11.127 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.579 -2.041 13.342 1.00 0.00 O ATOM 0 H GLU A 113 -4.003 0.707 11.910 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.973 -2.185 12.167 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.784 -0.662 13.076 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.264 -0.340 11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.424 -2.916 11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.291 -3.019 12.873 1.00 0.00 H new ATOM 1579 N LEU A 114 -4.097 -2.963 9.843 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.034 -3.438 8.472 1.00 0.00 C ATOM 1581 C LEU A 114 -4.995 -4.616 8.301 1.00 0.00 C ATOM 1582 O LEU A 114 -5.522 -5.138 9.281 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.590 -3.761 8.082 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.663 -2.559 7.889 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.194 -2.981 7.978 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.972 -1.832 6.581 1.00 0.00 C ATOM 0 H LEU A 114 -3.957 -3.684 10.551 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.359 -2.658 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.162 -4.405 8.850 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.604 -4.336 7.156 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.846 -1.853 8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.444 -2.109 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.000 -3.419 8.957 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.021 -3.716 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.299 -0.982 6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.835 -2.516 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.003 -1.478 6.596 1.00 0.00 H new ATOM 1597 N SER A 115 -5.194 -4.999 7.048 1.00 0.00 N ATOM 1598 CA SER A 115 -6.082 -6.105 6.736 1.00 0.00 C ATOM 1599 C SER A 115 -5.687 -6.733 5.398 1.00 0.00 C ATOM 1600 O SER A 115 -5.516 -6.028 4.404 1.00 0.00 O ATOM 1601 CB SER A 115 -7.541 -5.647 6.696 1.00 0.00 C ATOM 1602 OG SER A 115 -7.828 -4.693 7.714 1.00 0.00 O ATOM 0 H SER A 115 -4.755 -4.563 6.237 1.00 0.00 H new ATOM 0 HA SER A 115 -5.985 -6.852 7.524 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.758 -5.213 5.720 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.196 -6.511 6.813 1.00 0.00 H new ATOM 0 HG SER A 115 -8.104 -5.159 8.531 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.551 -8.051 5.415 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.179 -8.781 4.215 1.00 0.00 C ATOM 1609 C VAL A 116 -6.233 -9.852 3.927 1.00 0.00 C ATOM 1610 O VAL A 116 -7.303 -9.855 4.535 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.769 -9.355 4.367 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.783 -8.273 4.813 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.762 -10.538 5.339 1.00 0.00 C ATOM 0 H VAL A 116 -5.692 -8.632 6.241 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.152 -8.112 3.355 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.447 -9.720 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.788 -8.707 4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.758 -7.475 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.100 -7.865 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.748 -10.928 5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.113 -10.208 6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.420 -11.321 4.963 1.00 0.00 H new ATOM 1623 N MET A 117 -5.896 -10.735 3.000 1.00 0.00 N ATOM 1624 CA MET A 117 -6.799 -11.810 2.625 1.00 0.00 C ATOM 1625 C MET A 117 -6.021 -13.059 2.206 1.00 0.00 C ATOM 1626 O MET A 117 -5.709 -13.235 1.028 1.00 0.00 O ATOM 1627 CB MET A 117 -7.686 -11.349 1.467 1.00 0.00 C ATOM 1628 CG MET A 117 -8.971 -10.700 1.986 1.00 0.00 C ATOM 1629 SD MET A 117 -10.245 -11.935 2.180 1.00 0.00 S ATOM 1630 CE MET A 117 -10.264 -12.084 3.958 1.00 0.00 C ATOM 0 H MET A 117 -5.009 -10.728 2.496 1.00 0.00 H new ATOM 0 HA MET A 117 -7.414 -12.061 3.489 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.140 -10.638 0.847 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.934 -12.200 0.833 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.780 -10.210 2.941 1.00 0.00 H new ATOM 0 HG3 MET A 117 -9.304 -9.928 1.292 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.209 -12.525 4.276 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.440 -12.721 4.279 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.155 -11.097 4.407 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.724 -13.917 3.217 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.989 -15.145 2.966 1.00 0.00 C ATOM 1640 C PRO A 118 -5.882 -16.191 2.296 1.00 0.00 C ATOM 1641 O PRO A 118 -7.107 -16.109 2.374 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.480 -15.585 4.329 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.333 -14.849 5.350 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.079 -13.743 4.623 1.00 0.00 C ATOM 0 HA PRO A 118 -4.160 -15.004 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.571 -16.664 4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.425 -15.338 4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.035 -15.534 5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.708 -14.433 6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.155 -13.827 4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.782 -12.760 4.987 1.00 0.00 H new ATOM 1649 N LYS A 119 -5.234 -17.150 1.651 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.953 -18.211 0.966 1.00 0.00 C ATOM 1651 C LYS A 119 -6.091 -19.413 1.902 1.00 0.00 C ATOM 1652 O LYS A 119 -5.231 -19.647 2.750 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.280 -18.543 -0.365 1.00 0.00 C ATOM 1654 CG LYS A 119 -4.057 -19.437 -0.155 1.00 0.00 C ATOM 1655 CD LYS A 119 -2.761 -18.664 -0.409 1.00 0.00 C ATOM 1656 CE LYS A 119 -1.545 -19.457 0.072 1.00 0.00 C ATOM 1657 NZ LYS A 119 -0.767 -19.963 -1.081 1.00 0.00 N ATOM 0 H LYS A 119 -4.218 -17.214 1.588 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.962 -17.885 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.992 -19.044 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.980 -17.622 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.058 -19.827 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.110 -20.295 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.663 -18.452 -1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.800 -17.704 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.913 -18.823 0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.870 -20.292 0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.055 -20.499 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.368 -20.584 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.441 -19.162 -1.658 1.00 0.00 H new