USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=15 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 80 CYS SG : rot 180:sc= 0.155 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0.0462 USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= -0.471 USER MOD Set 2.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 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 67 GLN : amide:sc= -0.0678 K(o=-0.068,f=-0.93) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -10.5! C(o=-11!,f=-13!) USER MOD Single : A 92 SER OG : rot 99:sc= -0.0701! USER MOD Single : A 96 LYS NZ :NH3+ 151:sc= 0.197 (180deg=0.0229) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 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 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.5!) USER MOD Single : A 107 ASN : amide:sc= 0.0724 X(o=0.072,f=0) USER MOD Single : A 108 SER OG : rot -104:sc= 0.927 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 115 SER OG : rot 54:sc= 1.2 USER MOD Single : A 117 MET CE :methyl -150:sc= -1.87! (180deg=-1.99!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.474 -11.542 6.727 1.00 0.00 N ATOM 70 CA PRO A 9 -11.340 -10.644 6.581 1.00 0.00 C ATOM 71 C PRO A 9 -10.397 -10.752 7.782 1.00 0.00 C ATOM 72 O PRO A 9 -10.841 -10.708 8.929 1.00 0.00 O ATOM 73 CB PRO A 9 -11.949 -9.261 6.425 1.00 0.00 C ATOM 74 CG PRO A 9 -13.371 -9.371 6.953 1.00 0.00 C ATOM 75 CD PRO A 9 -13.707 -10.848 7.082 1.00 0.00 C ATOM 0 HA PRO A 9 -10.718 -10.889 5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.381 -8.518 6.985 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.943 -8.947 5.381 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.459 -8.874 7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.069 -8.878 6.276 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.022 -11.095 8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.524 -11.128 6.417 1.00 0.00 H new ATOM 80 N LYS A 10 -9.116 -10.890 7.479 1.00 0.00 N ATOM 81 CA LYS A 10 -8.108 -11.005 8.519 1.00 0.00 C ATOM 82 C LYS A 10 -7.555 -9.614 8.841 1.00 0.00 C ATOM 83 O LYS A 10 -7.280 -8.827 7.937 1.00 0.00 O ATOM 84 CB LYS A 10 -7.032 -12.014 8.114 1.00 0.00 C ATOM 85 CG LYS A 10 -5.655 -11.352 8.048 1.00 0.00 C ATOM 86 CD LYS A 10 -4.561 -12.387 7.785 1.00 0.00 C ATOM 87 CE LYS A 10 -3.255 -11.994 8.477 1.00 0.00 C ATOM 88 NZ LYS A 10 -2.148 -12.870 8.034 1.00 0.00 N ATOM 0 H LYS A 10 -8.752 -10.925 6.527 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.549 -11.395 9.436 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.010 -12.835 8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.279 -12.444 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.647 -10.600 7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.452 -10.833 8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.886 -13.364 8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.394 -12.480 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.016 -10.955 8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.374 -12.067 9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.269 -12.589 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.371 -13.858 8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.025 -12.780 7.005 1.00 0.00 H new ATOM 98 N THR A 11 -7.412 -9.356 10.133 1.00 0.00 N ATOM 99 CA THR A 11 -6.897 -8.074 10.586 1.00 0.00 C ATOM 100 C THR A 11 -5.531 -8.253 11.252 1.00 0.00 C ATOM 101 O THR A 11 -5.280 -9.269 11.899 1.00 0.00 O ATOM 102 CB THR A 11 -7.944 -7.444 11.506 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.128 -7.411 10.715 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.652 -5.971 11.803 1.00 0.00 C ATOM 0 H THR A 11 -7.643 -10.011 10.880 1.00 0.00 H new ATOM 0 HA THR A 11 -6.728 -7.397 9.749 1.00 0.00 H new ATOM 0 HB THR A 11 -7.987 -8.001 12.442 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.859 -7.018 11.236 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.425 -5.572 12.460 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.681 -5.884 12.290 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.642 -5.407 10.870 1.00 0.00 H new ATOM 112 N VAL A 12 -4.684 -7.252 11.069 1.00 0.00 N ATOM 113 CA VAL A 12 -3.348 -7.287 11.644 1.00 0.00 C ATOM 114 C VAL A 12 -3.014 -5.912 12.227 1.00 0.00 C ATOM 115 O VAL A 12 -2.995 -4.916 11.507 1.00 0.00 O ATOM 116 CB VAL A 12 -2.338 -7.751 10.593 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.085 -9.256 10.705 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.800 -7.377 9.183 1.00 0.00 C ATOM 0 H VAL A 12 -4.895 -6.411 10.531 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.302 -8.008 12.460 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.396 -7.236 10.784 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.364 -9.561 9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.691 -9.486 11.695 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.020 -9.795 10.553 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.063 -7.719 8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.760 -7.851 8.977 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.906 -6.295 9.110 1.00 0.00 H new ATOM 128 N THR A 13 -2.758 -5.903 13.526 1.00 0.00 N ATOM 129 CA THR A 13 -2.425 -4.668 14.216 1.00 0.00 C ATOM 130 C THR A 13 -0.910 -4.457 14.229 1.00 0.00 C ATOM 131 O THR A 13 -0.149 -5.405 14.421 1.00 0.00 O ATOM 132 CB THR A 13 -3.043 -4.726 15.614 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.433 -4.924 15.372 1.00 0.00 O ATOM 134 CG2 THR A 13 -2.980 -3.379 16.338 1.00 0.00 C ATOM 0 H THR A 13 -2.774 -6.732 14.120 1.00 0.00 H new ATOM 0 HA THR A 13 -2.838 -3.802 13.699 1.00 0.00 H new ATOM 0 HB THR A 13 -2.528 -5.482 16.207 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.910 -4.975 16.227 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.432 -3.475 17.325 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.940 -3.071 16.443 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.524 -2.630 15.762 1.00 0.00 H new ATOM 142 N LEU A 14 -0.517 -3.209 14.024 1.00 0.00 N ATOM 143 CA LEU A 14 0.893 -2.861 14.010 1.00 0.00 C ATOM 144 C LEU A 14 1.154 -1.759 15.041 1.00 0.00 C ATOM 145 O LEU A 14 0.219 -1.114 15.512 1.00 0.00 O ATOM 146 CB LEU A 14 1.341 -2.494 12.594 1.00 0.00 C ATOM 147 CG LEU A 14 1.512 -3.663 11.621 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.199 -3.969 10.896 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.657 -3.400 10.642 1.00 0.00 C ATOM 0 H LEU A 14 -1.151 -2.426 13.866 1.00 0.00 H new ATOM 0 HA LEU A 14 1.499 -3.720 14.300 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.614 -1.800 12.173 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.289 -1.961 12.661 1.00 0.00 H new ATOM 0 HG LEU A 14 1.778 -4.549 12.197 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.348 -4.803 10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.567 -4.231 11.626 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.120 -3.091 10.335 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.756 -4.246 9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.446 -2.497 10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.586 -3.269 11.196 1.00 0.00 H new ATOM 160 N LYS A 15 2.427 -1.581 15.360 1.00 0.00 N ATOM 161 CA LYS A 15 2.821 -0.570 16.326 1.00 0.00 C ATOM 162 C LYS A 15 4.012 0.219 15.776 1.00 0.00 C ATOM 163 O LYS A 15 5.102 -0.328 15.617 1.00 0.00 O ATOM 164 CB LYS A 15 3.084 -1.207 17.691 1.00 0.00 C ATOM 165 CG LYS A 15 1.882 -2.034 18.151 1.00 0.00 C ATOM 166 CD LYS A 15 1.832 -2.129 19.677 1.00 0.00 C ATOM 167 CE LYS A 15 0.657 -2.994 20.135 1.00 0.00 C ATOM 168 NZ LYS A 15 0.875 -3.474 21.519 1.00 0.00 N ATOM 0 H LYS A 15 3.199 -2.120 14.967 1.00 0.00 H new ATOM 0 HA LYS A 15 2.011 0.142 16.483 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.968 -1.843 17.635 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.297 -0.429 18.424 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.962 -1.581 17.781 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.939 -3.035 17.723 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.765 -2.551 20.049 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.741 -1.130 20.104 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.267 -2.418 20.085 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.540 -3.844 19.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.068 -4.060 21.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.746 -4.041 21.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.964 -2.659 22.159 1.00 0.00 H new ATOM 178 N ARG A 16 3.762 1.490 15.500 1.00 0.00 N ATOM 179 CA ARG A 16 4.799 2.358 14.971 1.00 0.00 C ATOM 180 C ARG A 16 6.036 2.320 15.873 1.00 0.00 C ATOM 181 O ARG A 16 5.945 2.594 17.068 1.00 0.00 O ATOM 182 CB ARG A 16 4.304 3.802 14.859 1.00 0.00 C ATOM 183 CG ARG A 16 5.244 4.638 13.985 1.00 0.00 C ATOM 184 CD ARG A 16 5.115 6.126 14.311 1.00 0.00 C ATOM 185 NE ARG A 16 4.304 6.802 13.274 1.00 0.00 N ATOM 186 CZ ARG A 16 4.738 7.067 12.035 1.00 0.00 C ATOM 187 NH1 ARG A 16 5.979 6.715 11.669 1.00 0.00 N ATOM 188 NH2 ARG A 16 3.932 7.684 11.159 1.00 0.00 N ATOM 0 H ARG A 16 2.856 1.940 15.633 1.00 0.00 H new ATOM 0 HA ARG A 16 5.059 1.995 13.976 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.300 3.814 14.435 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.235 4.245 15.853 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.274 4.316 14.140 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.013 4.471 12.933 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.650 6.254 15.289 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.104 6.582 14.366 1.00 0.00 H new ATOM 0 HE ARG A 16 3.355 7.084 13.518 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.593 6.245 12.334 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.309 6.917 10.725 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.988 7.952 11.436 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.263 7.886 10.216 1.00 0.00 H new ATOM 264 N GLY A 22 7.437 -1.137 10.327 1.00 0.00 N ATOM 265 CA GLY A 22 8.173 -2.348 10.011 1.00 0.00 C ATOM 266 C GLY A 22 8.020 -2.710 8.531 1.00 0.00 C ATOM 267 O GLY A 22 8.790 -2.245 7.692 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.228 -2.210 10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.812 -3.170 10.630 1.00 0.00 H new ATOM 271 N PHE A 23 7.021 -3.536 8.257 1.00 0.00 N ATOM 272 CA PHE A 23 6.757 -3.965 6.895 1.00 0.00 C ATOM 273 C PHE A 23 6.845 -2.788 5.922 1.00 0.00 C ATOM 274 O PHE A 23 6.885 -1.633 6.342 1.00 0.00 O ATOM 275 CB PHE A 23 5.334 -4.527 6.872 1.00 0.00 C ATOM 276 CG PHE A 23 4.244 -3.456 6.795 1.00 0.00 C ATOM 277 CD1 PHE A 23 3.960 -2.696 7.887 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.558 -3.265 5.636 1.00 0.00 C ATOM 279 CE1 PHE A 23 2.948 -1.703 7.816 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.547 -2.270 5.564 1.00 0.00 C ATOM 281 CZ PHE A 23 2.263 -1.510 6.657 1.00 0.00 C ATOM 0 H PHE A 23 6.385 -3.919 8.956 1.00 0.00 H new ATOM 0 HA PHE A 23 7.493 -4.709 6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.232 -5.197 6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.177 -5.127 7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.504 -2.848 8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.782 -3.870 4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.722 -1.100 8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.004 -2.117 4.643 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.494 -0.754 6.604 1.00 0.00 H new ATOM 290 N THR A 24 6.870 -3.121 4.640 1.00 0.00 N ATOM 291 CA THR A 24 6.951 -2.106 3.605 1.00 0.00 C ATOM 292 C THR A 24 6.076 -2.491 2.410 1.00 0.00 C ATOM 293 O THR A 24 5.653 -3.639 2.291 1.00 0.00 O ATOM 294 CB THR A 24 8.426 -1.919 3.241 1.00 0.00 C ATOM 295 OG1 THR A 24 8.392 -1.183 2.020 1.00 0.00 O ATOM 296 CG2 THR A 24 9.108 -3.236 2.864 1.00 0.00 C ATOM 0 H THR A 24 6.836 -4.080 4.295 1.00 0.00 H new ATOM 0 HA THR A 24 6.563 -1.150 3.958 1.00 0.00 H new ATOM 0 HB THR A 24 8.952 -1.466 4.081 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.308 -1.016 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.152 -3.047 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.055 -3.927 3.705 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.603 -3.674 2.003 1.00 0.00 H new ATOM 304 N LEU A 25 5.831 -1.508 1.556 1.00 0.00 N ATOM 305 CA LEU A 25 5.012 -1.729 0.376 1.00 0.00 C ATOM 306 C LEU A 25 5.893 -1.650 -0.872 1.00 0.00 C ATOM 307 O LEU A 25 7.030 -1.184 -0.805 1.00 0.00 O ATOM 308 CB LEU A 25 3.828 -0.760 0.355 1.00 0.00 C ATOM 309 CG LEU A 25 2.834 -0.891 1.509 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.606 -2.359 1.874 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.285 -0.065 2.717 1.00 0.00 C ATOM 0 H LEU A 25 6.185 -0.557 1.658 1.00 0.00 H new ATOM 0 HA LEU A 25 4.576 -2.728 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.217 0.258 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.287 -0.898 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 25 1.876 -0.488 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.895 -2.423 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.209 -2.891 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.551 -2.810 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.561 -0.175 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.260 -0.416 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.355 0.985 2.434 1.00 0.00 H new ATOM 322 N ARG A 26 5.337 -2.113 -1.982 1.00 0.00 N ATOM 323 CA ARG A 26 6.058 -2.100 -3.243 1.00 0.00 C ATOM 324 C ARG A 26 5.080 -1.977 -4.413 1.00 0.00 C ATOM 325 O ARG A 26 3.909 -2.335 -4.287 1.00 0.00 O ATOM 326 CB ARG A 26 6.890 -3.373 -3.414 1.00 0.00 C ATOM 327 CG ARG A 26 8.211 -3.072 -4.124 1.00 0.00 C ATOM 328 CD ARG A 26 8.849 -4.355 -4.663 1.00 0.00 C ATOM 329 NE ARG A 26 10.302 -4.354 -4.383 1.00 0.00 N ATOM 330 CZ ARG A 26 11.184 -3.549 -4.989 1.00 0.00 C ATOM 331 NH1 ARG A 26 10.767 -2.675 -5.914 1.00 0.00 N ATOM 332 NH2 ARG A 26 12.485 -3.620 -4.671 1.00 0.00 N ATOM 0 H ARG A 26 4.395 -2.500 -2.034 1.00 0.00 H new ATOM 0 HA ARG A 26 6.728 -1.240 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.090 -3.815 -2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.324 -4.108 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.037 -2.376 -4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.897 -2.584 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.382 -5.225 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.677 -4.433 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 26 10.654 -5.008 -3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.778 -2.623 -6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.439 -2.062 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.802 -4.287 -3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.157 -3.007 -5.132 1.00 0.00 H new ATOM 862 N ILE A 63 -1.835 -3.228 -3.073 1.00 0.00 N ATOM 863 CA ILE A 63 -0.720 -2.931 -2.189 1.00 0.00 C ATOM 864 C ILE A 63 -0.159 -4.239 -1.625 1.00 0.00 C ATOM 865 O ILE A 63 -0.638 -4.736 -0.609 1.00 0.00 O ATOM 866 CB ILE A 63 -1.142 -1.929 -1.112 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.239 -0.514 -1.686 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.207 -1.994 0.096 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.660 0.035 -1.557 1.00 0.00 C ATOM 0 HA ILE A 63 0.086 -2.449 -2.742 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.137 -2.204 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.543 0.142 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.943 -0.522 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.530 -1.272 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.233 -2.997 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.810 -1.760 -0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.700 1.042 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.350 -0.610 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.944 0.065 -0.505 1.00 0.00 H new ATOM 880 N PHE A 64 0.850 -4.756 -2.310 1.00 0.00 N ATOM 881 CA PHE A 64 1.482 -5.995 -1.892 1.00 0.00 C ATOM 882 C PHE A 64 2.665 -5.721 -0.962 1.00 0.00 C ATOM 883 O PHE A 64 3.354 -4.713 -1.110 1.00 0.00 O ATOM 884 CB PHE A 64 1.992 -6.687 -3.158 1.00 0.00 C ATOM 885 CG PHE A 64 0.923 -6.884 -4.234 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.206 -7.587 -3.951 1.00 0.00 C ATOM 887 CD2 PHE A 64 1.102 -6.355 -5.474 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.197 -7.769 -4.950 1.00 0.00 C ATOM 889 CE2 PHE A 64 0.110 -6.538 -6.474 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.019 -7.241 -6.190 1.00 0.00 C ATOM 0 H PHE A 64 1.246 -4.339 -3.152 1.00 0.00 H new ATOM 0 HA PHE A 64 0.766 -6.614 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.810 -6.100 -3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.404 -7.659 -2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.348 -8.007 -2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.998 -5.796 -5.698 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.094 -8.328 -4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.252 -6.119 -7.459 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.774 -7.380 -6.950 1.00 0.00 H new ATOM 899 N VAL A 65 2.863 -6.635 -0.023 1.00 0.00 N ATOM 900 CA VAL A 65 3.951 -6.504 0.931 1.00 0.00 C ATOM 901 C VAL A 65 5.277 -6.808 0.231 1.00 0.00 C ATOM 902 O VAL A 65 5.334 -7.656 -0.657 1.00 0.00 O ATOM 903 CB VAL A 65 3.695 -7.401 2.143 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.883 -7.372 3.107 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.400 -7.005 2.856 1.00 0.00 C ATOM 0 H VAL A 65 2.288 -7.469 0.097 1.00 0.00 H new ATOM 0 HA VAL A 65 4.009 -5.482 1.306 1.00 0.00 H new ATOM 0 HB VAL A 65 3.580 -8.424 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.675 -8.018 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.777 -7.725 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.044 -6.352 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.242 -7.659 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.473 -5.972 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.561 -7.102 2.167 1.00 0.00 H new ATOM 915 N LYS A 66 6.311 -6.098 0.657 1.00 0.00 N ATOM 916 CA LYS A 66 7.634 -6.280 0.083 1.00 0.00 C ATOM 917 C LYS A 66 8.468 -7.169 1.007 1.00 0.00 C ATOM 918 O LYS A 66 9.107 -8.117 0.553 1.00 0.00 O ATOM 919 CB LYS A 66 8.280 -4.927 -0.217 1.00 0.00 C ATOM 920 CG LYS A 66 9.300 -5.045 -1.350 1.00 0.00 C ATOM 921 CD LYS A 66 10.723 -4.824 -0.834 1.00 0.00 C ATOM 922 CE LYS A 66 11.296 -3.505 -1.355 1.00 0.00 C ATOM 923 NZ LYS A 66 10.740 -2.362 -0.597 1.00 0.00 N ATOM 0 H LYS A 66 6.260 -5.395 1.394 1.00 0.00 H new ATOM 0 HA LYS A 66 7.565 -6.793 -0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.510 -4.205 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.770 -4.547 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.225 -6.030 -1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.073 -4.313 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.722 -4.819 0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.360 -5.651 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.382 -3.514 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.063 -3.394 -2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.140 -1.475 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.706 -2.346 -0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.983 -2.461 0.409 1.00 0.00 H new ATOM 933 N GLN A 67 8.435 -6.832 2.288 1.00 0.00 N ATOM 934 CA GLN A 67 9.181 -7.588 3.281 1.00 0.00 C ATOM 935 C GLN A 67 8.577 -7.377 4.670 1.00 0.00 C ATOM 936 O GLN A 67 7.687 -6.545 4.846 1.00 0.00 O ATOM 937 CB GLN A 67 10.661 -7.205 3.262 1.00 0.00 C ATOM 938 CG GLN A 67 11.405 -7.947 2.150 1.00 0.00 C ATOM 939 CD GLN A 67 12.860 -8.211 2.543 1.00 0.00 C ATOM 940 OE1 GLN A 67 13.409 -7.592 3.441 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.450 -9.161 1.825 1.00 0.00 N ATOM 0 H GLN A 67 7.903 -6.046 2.662 1.00 0.00 H new ATOM 0 HA GLN A 67 9.111 -8.647 3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.760 -6.129 3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.113 -7.439 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.904 -8.892 1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.374 -7.360 1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.932 -9.639 1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.421 -9.412 2.011 1.00 0.00 H new ATOM 948 N VAL A 68 9.085 -8.145 5.624 1.00 0.00 N ATOM 949 CA VAL A 68 8.607 -8.053 6.993 1.00 0.00 C ATOM 950 C VAL A 68 9.805 -8.017 7.945 1.00 0.00 C ATOM 951 O VAL A 68 10.573 -8.974 8.019 1.00 0.00 O ATOM 952 CB VAL A 68 7.642 -9.203 7.290 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.310 -9.270 8.781 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.370 -9.082 6.449 1.00 0.00 C ATOM 0 H VAL A 68 9.823 -8.833 5.475 1.00 0.00 H new ATOM 0 HA VAL A 68 8.046 -7.130 7.140 1.00 0.00 H new ATOM 0 HB VAL A 68 8.137 -10.135 7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.623 -10.096 8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.226 -9.427 9.351 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.845 -8.335 9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.701 -9.911 6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.871 -8.140 6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.630 -9.108 5.391 1.00 0.00 H new ATOM 964 N LYS A 69 9.925 -6.901 8.650 1.00 0.00 N ATOM 965 CA LYS A 69 11.016 -6.728 9.593 1.00 0.00 C ATOM 966 C LYS A 69 11.239 -8.036 10.355 1.00 0.00 C ATOM 967 O LYS A 69 10.315 -8.831 10.513 1.00 0.00 O ATOM 968 CB LYS A 69 10.753 -5.524 10.502 1.00 0.00 C ATOM 969 CG LYS A 69 12.065 -4.874 10.945 1.00 0.00 C ATOM 970 CD LYS A 69 12.706 -5.658 12.091 1.00 0.00 C ATOM 971 CE LYS A 69 12.847 -4.786 13.340 1.00 0.00 C ATOM 972 NZ LYS A 69 13.755 -5.425 14.319 1.00 0.00 N ATOM 0 H LYS A 69 9.285 -6.109 8.587 1.00 0.00 H new ATOM 0 HA LYS A 69 11.943 -6.504 9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.141 -4.793 9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.187 -5.842 11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.754 -4.827 10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.878 -3.848 11.262 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.099 -6.534 12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.687 -6.021 11.784 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.233 -3.805 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.868 -4.628 13.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.839 -4.820 15.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.371 -6.351 14.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.693 -5.554 13.890 1.00 0.00 H new ATOM 982 N GLU A 70 12.471 -8.217 10.809 1.00 0.00 N ATOM 983 CA GLU A 70 12.826 -9.415 11.551 1.00 0.00 C ATOM 984 C GLU A 70 12.762 -9.146 13.055 1.00 0.00 C ATOM 985 O GLU A 70 13.794 -9.015 13.710 1.00 0.00 O ATOM 986 CB GLU A 70 14.213 -9.920 11.143 1.00 0.00 C ATOM 987 CG GLU A 70 14.293 -11.445 11.251 1.00 0.00 C ATOM 988 CD GLU A 70 15.619 -11.881 11.877 1.00 0.00 C ATOM 989 OE1 GLU A 70 16.000 -11.255 12.890 1.00 0.00 O ATOM 990 OE2 GLU A 70 16.221 -12.829 11.331 1.00 0.00 O ATOM 0 H GLU A 70 13.235 -7.554 10.677 1.00 0.00 H new ATOM 0 HA GLU A 70 12.105 -10.196 11.311 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.430 -9.612 10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.972 -9.466 11.780 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.463 -11.815 11.854 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.191 -11.889 10.261 1.00 0.00 H new ATOM 995 N GLY A 71 11.538 -9.072 13.558 1.00 0.00 N ATOM 996 CA GLY A 71 11.325 -8.822 14.974 1.00 0.00 C ATOM 997 C GLY A 71 10.716 -7.437 15.200 1.00 0.00 C ATOM 998 O GLY A 71 10.984 -6.794 16.214 1.00 0.00 O ATOM 0 H GLY A 71 10.684 -9.181 13.011 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.665 -9.585 15.387 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.273 -8.898 15.507 1.00 0.00 H new ATOM 1002 N GLY A 72 9.906 -7.017 14.238 1.00 0.00 N ATOM 1003 CA GLY A 72 9.256 -5.721 14.319 1.00 0.00 C ATOM 1004 C GLY A 72 7.773 -5.871 14.660 1.00 0.00 C ATOM 1005 O GLY A 72 7.376 -6.841 15.304 1.00 0.00 O ATOM 0 H GLY A 72 9.686 -7.553 13.398 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.747 -5.111 15.077 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.363 -5.197 13.369 1.00 0.00 H new ATOM 1009 N PRO A 73 6.973 -4.871 14.203 1.00 0.00 N ATOM 1010 CA PRO A 73 5.542 -4.883 14.452 1.00 0.00 C ATOM 1011 C PRO A 73 4.837 -5.902 13.556 1.00 0.00 C ATOM 1012 O PRO A 73 4.331 -6.914 14.040 1.00 0.00 O ATOM 1013 CB PRO A 73 5.086 -3.455 14.199 1.00 0.00 C ATOM 1014 CG PRO A 73 6.185 -2.807 13.371 1.00 0.00 C ATOM 1015 CD PRO A 73 7.409 -3.706 13.437 1.00 0.00 C ATOM 0 HA PRO A 73 5.296 -5.192 15.468 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.135 -3.437 13.668 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.937 -2.920 15.137 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.860 -2.679 12.338 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.419 -1.815 13.757 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.745 -3.991 12.440 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.244 -3.202 13.923 1.00 0.00 H new ATOM 1020 N ALA A 74 4.828 -5.603 12.265 1.00 0.00 N ATOM 1021 CA ALA A 74 4.194 -6.481 11.297 1.00 0.00 C ATOM 1022 C ALA A 74 4.636 -7.923 11.556 1.00 0.00 C ATOM 1023 O ALA A 74 3.816 -8.838 11.548 1.00 0.00 O ATOM 1024 CB ALA A 74 4.536 -6.012 9.882 1.00 0.00 C ATOM 0 H ALA A 74 5.250 -4.764 11.867 1.00 0.00 H new ATOM 0 HA ALA A 74 3.109 -6.445 11.399 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.060 -6.671 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.175 -4.993 9.739 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.617 -6.037 9.742 1.00 0.00 H new ATOM 1030 N PHE A 75 5.933 -8.079 11.782 1.00 0.00 N ATOM 1031 CA PHE A 75 6.494 -9.393 12.042 1.00 0.00 C ATOM 1032 C PHE A 75 5.724 -10.108 13.154 1.00 0.00 C ATOM 1033 O PHE A 75 5.586 -11.330 13.133 1.00 0.00 O ATOM 1034 CB PHE A 75 7.940 -9.180 12.496 1.00 0.00 C ATOM 1035 CG PHE A 75 8.678 -10.472 12.852 1.00 0.00 C ATOM 1036 CD1 PHE A 75 9.001 -11.361 11.875 1.00 0.00 C ATOM 1037 CD2 PHE A 75 9.009 -10.732 14.145 1.00 0.00 C ATOM 1038 CE1 PHE A 75 9.685 -12.561 12.205 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.693 -11.931 14.476 1.00 0.00 C ATOM 1040 CZ PHE A 75 10.017 -12.821 13.498 1.00 0.00 C ATOM 0 H PHE A 75 6.611 -7.317 11.790 1.00 0.00 H new ATOM 0 HA PHE A 75 6.435 -10.007 11.143 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.487 -8.668 11.704 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.944 -8.521 13.364 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.737 -11.154 10.848 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.751 -10.026 14.921 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.942 -13.267 11.429 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.956 -12.137 15.503 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.538 -13.733 13.749 1.00 0.00 H new ATOM 1049 N GLU A 76 5.240 -9.315 14.100 1.00 0.00 N ATOM 1050 CA GLU A 76 4.486 -9.856 15.217 1.00 0.00 C ATOM 1051 C GLU A 76 3.031 -10.098 14.809 1.00 0.00 C ATOM 1052 O GLU A 76 2.522 -11.211 14.941 1.00 0.00 O ATOM 1053 CB GLU A 76 4.567 -8.931 16.433 1.00 0.00 C ATOM 1054 CG GLU A 76 6.022 -8.689 16.840 1.00 0.00 C ATOM 1055 CD GLU A 76 6.359 -9.429 18.136 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.155 -10.663 18.154 1.00 0.00 O ATOM 1057 OE2 GLU A 76 6.814 -8.746 19.078 1.00 0.00 O ATOM 0 H GLU A 76 5.356 -8.302 14.115 1.00 0.00 H new ATOM 0 HA GLU A 76 4.928 -10.812 15.498 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.086 -7.980 16.204 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.021 -9.372 17.267 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.687 -9.023 16.043 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.194 -7.621 16.972 1.00 0.00 H new ATOM 1062 N ALA A 77 2.403 -9.038 14.320 1.00 0.00 N ATOM 1063 CA ALA A 77 1.017 -9.122 13.892 1.00 0.00 C ATOM 1064 C ALA A 77 0.787 -10.457 13.181 1.00 0.00 C ATOM 1065 O ALA A 77 -0.312 -11.008 13.229 1.00 0.00 O ATOM 1066 CB ALA A 77 0.684 -7.922 13.002 1.00 0.00 C ATOM 0 H ALA A 77 2.828 -8.117 14.211 1.00 0.00 H new ATOM 0 HA ALA A 77 0.347 -9.087 14.751 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.356 -7.985 12.681 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.835 -7.000 13.563 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.335 -7.926 12.128 1.00 0.00 H new ATOM 1072 N GLY A 78 1.841 -10.939 12.539 1.00 0.00 N ATOM 1073 CA GLY A 78 1.768 -12.198 11.819 1.00 0.00 C ATOM 1074 C GLY A 78 1.830 -11.971 10.307 1.00 0.00 C ATOM 1075 O GLY A 78 1.694 -12.912 9.527 1.00 0.00 O ATOM 0 H GLY A 78 2.751 -10.479 12.503 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.589 -12.845 12.127 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.843 -12.714 12.075 1.00 0.00 H new ATOM 1079 N LEU A 79 2.033 -10.715 9.938 1.00 0.00 N ATOM 1080 CA LEU A 79 2.115 -10.352 8.533 1.00 0.00 C ATOM 1081 C LEU A 79 3.129 -11.258 7.834 1.00 0.00 C ATOM 1082 O LEU A 79 3.710 -12.143 8.460 1.00 0.00 O ATOM 1083 CB LEU A 79 2.418 -8.859 8.382 1.00 0.00 C ATOM 1084 CG LEU A 79 1.592 -8.110 7.336 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.144 -7.933 7.802 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.245 -6.774 6.976 1.00 0.00 C ATOM 0 H LEU A 79 2.143 -9.936 10.587 1.00 0.00 H new ATOM 0 HA LEU A 79 1.155 -10.511 8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.266 -8.378 9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.473 -8.746 8.132 1.00 0.00 H new ATOM 0 HG LEU A 79 1.566 -8.712 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.421 -7.397 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.307 -8.911 7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.128 -7.364 8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.637 -6.261 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.322 -6.154 7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.241 -6.953 6.572 1.00 0.00 H new ATOM 1097 N CYS A 80 3.313 -11.006 6.546 1.00 0.00 N ATOM 1098 CA CYS A 80 4.246 -11.789 5.755 1.00 0.00 C ATOM 1099 C CYS A 80 4.453 -11.079 4.416 1.00 0.00 C ATOM 1100 O CYS A 80 4.101 -9.911 4.267 1.00 0.00 O ATOM 1101 CB CYS A 80 3.764 -13.230 5.571 1.00 0.00 C ATOM 1102 SG CYS A 80 5.185 -14.380 5.640 1.00 0.00 S ATOM 0 H CYS A 80 2.831 -10.270 6.031 1.00 0.00 H new ATOM 0 HA CYS A 80 5.200 -11.861 6.278 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.043 -13.483 6.348 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.250 -13.331 4.615 1.00 0.00 H new ATOM 0 HG CYS A 80 4.764 -15.600 5.485 1.00 0.00 H new ATOM 1107 N THR A 81 5.023 -11.818 3.474 1.00 0.00 N ATOM 1108 CA THR A 81 5.280 -11.273 2.152 1.00 0.00 C ATOM 1109 C THR A 81 4.254 -11.802 1.149 1.00 0.00 C ATOM 1110 O THR A 81 3.999 -13.004 1.090 1.00 0.00 O ATOM 1111 CB THR A 81 6.726 -11.609 1.776 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.913 -12.935 2.264 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.744 -10.777 2.560 1.00 0.00 C ATOM 0 H THR A 81 5.313 -12.788 3.600 1.00 0.00 H new ATOM 0 HA THR A 81 5.169 -10.189 2.142 1.00 0.00 H new ATOM 0 HB THR A 81 6.870 -11.446 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.824 -13.233 2.061 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.753 -11.055 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.582 -9.718 2.357 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.623 -10.965 3.627 1.00 0.00 H new ATOM 1121 N GLY A 82 3.692 -10.878 0.384 1.00 0.00 N ATOM 1122 CA GLY A 82 2.697 -11.236 -0.615 1.00 0.00 C ATOM 1123 C GLY A 82 1.306 -10.750 -0.201 1.00 0.00 C ATOM 1124 O GLY A 82 0.547 -10.253 -1.031 1.00 0.00 O ATOM 0 H GLY A 82 3.906 -9.882 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.968 -10.799 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.683 -12.318 -0.749 1.00 0.00 H new ATOM 1128 N ASP A 83 1.016 -10.910 1.082 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.271 -10.495 1.614 1.00 0.00 C ATOM 1130 C ASP A 83 -0.531 -9.037 1.229 1.00 0.00 C ATOM 1131 O ASP A 83 0.279 -8.160 1.523 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.291 -10.591 3.141 1.00 0.00 C ATOM 1133 CG ASP A 83 -0.256 -12.015 3.700 1.00 0.00 C ATOM 1134 OD1 ASP A 83 -0.990 -12.861 3.144 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.505 -12.226 4.670 1.00 0.00 O ATOM 0 H ASP A 83 1.649 -11.321 1.768 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.035 -11.153 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.563 -10.041 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.188 -10.094 3.510 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.664 -8.825 0.575 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.041 -7.488 0.147 1.00 0.00 C ATOM 1141 C ARG A 84 -3.005 -6.858 1.156 1.00 0.00 C ATOM 1142 O ARG A 84 -3.788 -7.562 1.793 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.704 -7.518 -1.232 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.090 -8.164 -1.159 1.00 0.00 C ATOM 1145 CD ARG A 84 -4.444 -8.852 -2.480 1.00 0.00 C ATOM 1146 NE ARG A 84 -4.596 -10.308 -2.265 1.00 0.00 N ATOM 1147 CZ ARG A 84 -5.731 -10.895 -1.863 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -6.821 -10.153 -1.629 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -5.777 -12.224 -1.696 1.00 0.00 N ATOM 0 H ARG A 84 -2.333 -9.556 0.331 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.131 -6.890 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.792 -6.503 -1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.076 -8.073 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.114 -8.892 -0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.837 -7.405 -0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.369 -8.436 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.664 -8.664 -3.218 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.785 -10.903 -2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.787 -9.142 -1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.686 -10.599 -1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.947 -12.790 -1.875 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.642 -12.670 -1.390 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.915 -5.542 1.268 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.770 -4.811 2.188 1.00 0.00 C ATOM 1162 C ILE A 85 -5.126 -4.561 1.528 1.00 0.00 C ATOM 1163 O ILE A 85 -5.192 -4.109 0.385 1.00 0.00 O ATOM 1164 CB ILE A 85 -3.074 -3.535 2.665 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -2.170 -3.818 3.865 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -4.093 -2.434 2.963 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.280 -5.036 3.607 1.00 0.00 C ATOM 0 H ILE A 85 -2.264 -4.963 0.738 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.956 -5.401 3.086 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.435 -3.174 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.549 -2.946 4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.780 -3.990 4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.572 -1.538 3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.658 -2.207 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.776 -2.772 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.647 -5.215 4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.904 -5.911 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.654 -4.851 2.734 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.177 -4.867 2.274 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.531 -4.682 1.776 1.00 0.00 C ATOM 1180 C ILE A 86 -8.214 -3.567 2.570 1.00 0.00 C ATOM 1181 O ILE A 86 -9.038 -2.830 2.030 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.294 -6.008 1.794 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.059 -6.759 3.107 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.941 -6.861 0.575 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.233 -7.685 3.425 1.00 0.00 C ATOM 0 H ILE A 86 -6.119 -5.242 3.221 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.514 -4.365 0.733 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.360 -5.789 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.140 -7.341 3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.924 -6.045 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.497 -7.798 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.202 -6.321 -0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.872 -7.074 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.041 -8.207 4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.146 -7.097 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.350 -8.413 2.622 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.847 -3.479 3.840 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.414 -2.467 4.714 1.00 0.00 C ATOM 1198 C LYS A 87 -7.328 -1.949 5.660 1.00 0.00 C ATOM 1199 O LYS A 87 -6.404 -2.681 6.010 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.648 -3.012 5.435 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.786 -3.278 4.447 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.565 -4.592 3.697 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.680 -5.593 4.004 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.891 -5.280 3.216 1.00 0.00 N ATOM 0 H LYS A 87 -7.164 -4.092 4.284 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.764 -1.614 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.391 -3.934 5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.977 -2.299 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.735 -3.316 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.854 -2.456 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.528 -4.401 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.602 -5.018 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.342 -6.604 3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.915 -5.569 5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.637 -5.970 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.222 -4.323 3.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.667 -5.326 2.202 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.477 -0.690 6.047 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.520 -0.066 6.947 1.00 0.00 C ATOM 1216 C VAL A 88 -7.274 0.734 8.010 1.00 0.00 C ATOM 1217 O VAL A 88 -8.143 1.541 7.684 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.530 0.783 6.149 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.540 1.489 7.078 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.796 -0.063 5.107 1.00 0.00 C ATOM 0 H VAL A 88 -8.245 -0.086 5.754 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.933 -0.823 7.467 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.097 1.548 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.847 2.086 6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.084 2.139 7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.983 0.746 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.098 0.566 4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.247 -0.861 5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.519 -0.497 4.416 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.914 0.483 9.261 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.546 1.172 10.374 1.00 0.00 C ATOM 1232 C ASN A 89 -9.010 1.452 10.030 1.00 0.00 C ATOM 1233 O ASN A 89 -9.509 2.549 10.275 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.861 2.511 10.654 1.00 0.00 C ATOM 1235 CG ASN A 89 -6.107 3.011 9.419 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -6.680 3.261 8.371 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.797 3.140 9.600 1.00 0.00 N ATOM 0 H ASN A 89 -6.193 -0.187 9.528 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.465 0.535 11.255 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.606 3.249 10.953 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.168 2.401 11.488 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.206 3.466 8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.382 2.913 10.504 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.655 0.442 9.466 1.00 0.00 N ATOM 1244 CA GLY A 90 -11.052 0.565 9.086 1.00 0.00 C ATOM 1245 C GLY A 90 -11.324 1.921 8.430 1.00 0.00 C ATOM 1246 O GLY A 90 -12.240 2.638 8.831 1.00 0.00 O ATOM 0 H GLY A 90 -9.236 -0.466 9.263 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.317 -0.236 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.684 0.450 9.967 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.512 2.232 7.430 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.652 3.488 6.714 1.00 0.00 C ATOM 1252 C GLU A 91 -11.207 3.239 5.310 1.00 0.00 C ATOM 1253 O GLU A 91 -11.798 4.133 4.705 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.320 4.236 6.652 1.00 0.00 C ATOM 1255 CG GLU A 91 -9.468 5.666 7.175 1.00 0.00 C ATOM 1256 CD GLU A 91 -10.297 6.519 6.212 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -9.698 7.016 5.235 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -11.512 6.653 6.476 1.00 0.00 O ATOM 0 H GLU A 91 -9.754 1.635 7.099 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.358 4.116 7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.573 3.705 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.958 4.257 5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.944 5.651 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.483 6.113 7.306 1.00 0.00 H new ATOM 1263 N SER A 92 -10.999 2.021 4.833 1.00 0.00 N ATOM 1264 CA SER A 92 -11.471 1.644 3.512 1.00 0.00 C ATOM 1265 C SER A 92 -10.443 2.050 2.453 1.00 0.00 C ATOM 1266 O SER A 92 -10.240 3.237 2.204 1.00 0.00 O ATOM 1267 CB SER A 92 -12.827 2.283 3.208 1.00 0.00 C ATOM 1268 OG SER A 92 -13.608 2.461 4.386 1.00 0.00 O ATOM 0 H SER A 92 -10.510 1.282 5.338 1.00 0.00 H new ATOM 0 HA SER A 92 -11.597 0.562 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.673 3.248 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.373 1.657 2.502 1.00 0.00 H new ATOM 0 HG SER A 92 -13.526 3.387 4.696 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.823 1.042 1.859 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.822 1.278 0.833 1.00 0.00 C ATOM 1275 C VAL A 93 -9.058 0.319 -0.336 1.00 0.00 C ATOM 1276 O VAL A 93 -8.147 -0.397 -0.749 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.419 1.156 1.433 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.313 1.941 2.742 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.036 -0.311 1.638 1.00 0.00 C ATOM 0 H VAL A 93 -9.995 0.059 2.069 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.908 2.292 0.443 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.712 1.589 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.307 1.838 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.522 2.994 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.035 1.551 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.035 -0.369 2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.748 -0.782 2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.052 -0.829 0.679 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.286 0.336 -0.834 1.00 0.00 N ATOM 1290 CA ILE A 94 -10.652 -0.523 -1.947 1.00 0.00 C ATOM 1291 C ILE A 94 -10.331 0.188 -3.264 1.00 0.00 C ATOM 1292 O ILE A 94 -9.877 -0.440 -4.217 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.114 -0.961 -1.826 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.332 -1.801 -0.566 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -12.574 -1.691 -3.089 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -11.835 -3.233 -0.770 1.00 0.00 C ATOM 0 H ILE A 94 -11.039 0.930 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.064 -1.441 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.731 -0.068 -1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -11.807 -1.346 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.392 -1.813 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.616 -1.991 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -12.478 -1.027 -3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.956 -2.576 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -12.002 -3.809 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -12.379 -3.693 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.770 -3.219 -1.001 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.579 1.491 -3.272 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.321 2.293 -4.455 1.00 0.00 C ATOM 1309 C GLY A 95 -9.429 3.490 -4.121 1.00 0.00 C ATOM 1310 O GLY A 95 -9.517 4.535 -4.765 1.00 0.00 O ATOM 0 H GLY A 95 -10.955 2.010 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.842 1.679 -5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.264 2.643 -4.874 1.00 0.00 H new ATOM 1314 N LYS A 96 -8.588 3.298 -3.114 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.680 4.349 -2.688 1.00 0.00 C ATOM 1316 C LYS A 96 -6.319 4.144 -3.355 1.00 0.00 C ATOM 1317 O LYS A 96 -5.925 3.012 -3.635 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.612 4.410 -1.160 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.675 5.357 -0.601 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.467 5.595 0.895 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.364 6.727 1.401 1.00 0.00 C ATOM 1322 NZ LYS A 96 -10.771 6.275 1.485 1.00 0.00 N ATOM 0 H LYS A 96 -8.517 2.431 -2.582 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.049 5.323 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.755 3.412 -0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.622 4.745 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.636 6.308 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.666 4.937 -0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.685 4.680 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.422 5.841 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.023 7.058 2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.290 7.584 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.260 6.801 2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.246 6.448 0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.797 5.258 1.701 1.00 0.00 H new ATOM 1332 N THR A 97 -5.638 5.255 -3.593 1.00 0.00 N ATOM 1333 CA THR A 97 -4.330 5.210 -4.224 1.00 0.00 C ATOM 1334 C THR A 97 -3.237 5.011 -3.172 1.00 0.00 C ATOM 1335 O THR A 97 -3.485 5.165 -1.977 1.00 0.00 O ATOM 1336 CB THR A 97 -4.157 6.490 -5.045 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.423 6.071 -6.192 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.234 7.503 -4.363 1.00 0.00 C ATOM 0 H THR A 97 -5.967 6.192 -3.360 1.00 0.00 H new ATOM 0 HA THR A 97 -4.246 4.359 -4.900 1.00 0.00 H new ATOM 0 HB THR A 97 -5.133 6.945 -5.217 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.268 6.840 -6.780 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.145 8.392 -4.987 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.650 7.780 -3.394 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.248 7.060 -4.221 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.051 4.671 -3.653 1.00 0.00 N ATOM 1347 CA TYR A 98 -0.920 4.449 -2.769 1.00 0.00 C ATOM 1348 C TYR A 98 -0.680 5.664 -1.870 1.00 0.00 C ATOM 1349 O TYR A 98 -0.807 5.572 -0.650 1.00 0.00 O ATOM 1350 CB TYR A 98 0.295 4.256 -3.679 1.00 0.00 C ATOM 1351 CG TYR A 98 1.587 3.920 -2.930 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.582 2.957 -1.942 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.757 4.581 -3.243 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.797 2.641 -1.236 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.973 4.265 -2.538 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.932 3.311 -1.571 1.00 0.00 C ATOM 1357 OH TYR A 98 5.080 3.012 -0.905 1.00 0.00 O ATOM 0 H TYR A 98 -1.848 4.544 -4.645 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.100 3.589 -2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.081 3.457 -4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.450 5.166 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.666 2.440 -1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.761 5.335 -4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.806 1.890 -0.460 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.896 4.775 -2.773 1.00 0.00 H new ATOM 0 HH TYR A 98 5.811 3.566 -1.249 1.00 0.00 H new ATOM 1366 N SER A 99 -0.337 6.773 -2.507 1.00 0.00 N ATOM 1367 CA SER A 99 -0.079 8.004 -1.779 1.00 0.00 C ATOM 1368 C SER A 99 -1.169 8.232 -0.730 1.00 0.00 C ATOM 1369 O SER A 99 -0.913 8.818 0.320 1.00 0.00 O ATOM 1370 CB SER A 99 0.000 9.200 -2.731 1.00 0.00 C ATOM 1371 OG SER A 99 0.940 10.174 -2.286 1.00 0.00 O ATOM 0 H SER A 99 -0.232 6.845 -3.519 1.00 0.00 H new ATOM 0 HA SER A 99 0.884 7.908 -1.277 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.280 8.854 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.985 9.660 -2.819 1.00 0.00 H new ATOM 0 HG SER A 99 0.963 10.920 -2.921 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.363 7.753 -1.052 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.493 7.896 -0.149 1.00 0.00 C ATOM 1378 C GLN A 100 -3.336 6.960 1.050 1.00 0.00 C ATOM 1379 O GLN A 100 -3.084 7.412 2.166 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.812 7.636 -0.879 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.483 8.951 -1.285 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.859 9.091 -0.630 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.888 9.088 -1.282 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -6.817 9.211 0.695 1.00 0.00 N ATOM 0 H GLN A 100 -2.572 7.267 -1.924 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.514 8.922 0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.628 7.029 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.482 7.065 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.851 9.790 -0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.587 8.991 -2.369 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.919 9.206 1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.682 9.308 1.226 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.494 5.672 0.781 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.373 4.669 1.824 1.00 0.00 C ATOM 1393 C VAL A 101 -2.073 4.897 2.597 1.00 0.00 C ATOM 1394 O VAL A 101 -1.994 4.597 3.787 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.471 3.268 1.217 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.818 3.063 0.522 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.311 3.007 0.253 1.00 0.00 C ATOM 0 H VAL A 101 -3.705 5.300 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.194 4.758 2.536 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.401 2.545 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.860 2.059 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.623 3.186 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.931 3.797 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.404 2.005 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.336 3.740 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.366 3.090 0.790 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.086 5.426 1.889 1.00 0.00 N ATOM 1408 CA ILE A 102 0.207 5.697 2.493 1.00 0.00 C ATOM 1409 C ILE A 102 0.016 6.616 3.703 1.00 0.00 C ATOM 1410 O ILE A 102 0.557 6.355 4.776 1.00 0.00 O ATOM 1411 CB ILE A 102 1.181 6.248 1.450 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.668 5.139 0.517 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.342 6.985 2.120 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.848 4.381 1.131 1.00 0.00 C ATOM 0 H ILE A 102 -1.156 5.674 0.902 1.00 0.00 H new ATOM 0 HA ILE A 102 0.658 4.775 2.860 1.00 0.00 H new ATOM 0 HB ILE A 102 0.650 6.975 0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.852 4.445 0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.966 5.569 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.020 7.367 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.954 7.816 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.881 6.298 2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.174 3.598 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.671 5.073 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.540 3.932 2.075 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.754 7.672 3.488 1.00 0.00 N ATOM 1426 CA ALA A 103 -1.022 8.630 4.547 1.00 0.00 C ATOM 1427 C ALA A 103 -1.746 7.925 5.695 1.00 0.00 C ATOM 1428 O ALA A 103 -1.496 8.219 6.864 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.826 9.803 3.982 1.00 0.00 C ATOM 0 H ALA A 103 -1.201 7.885 2.596 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.091 9.034 4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.027 10.522 4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.255 10.287 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.769 9.436 3.577 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.627 7.008 5.324 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.389 6.259 6.308 1.00 0.00 C ATOM 1437 C LEU A 104 -2.423 5.498 7.221 1.00 0.00 C ATOM 1438 O LEU A 104 -2.733 5.248 8.386 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.420 5.364 5.620 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.515 6.084 4.830 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.620 5.113 4.414 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -6.063 7.275 5.619 1.00 0.00 C ATOM 0 H LEU A 104 -2.830 6.767 4.354 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.963 6.935 6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.893 4.692 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.896 4.743 6.379 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.075 6.479 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.385 5.651 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.197 4.327 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.067 4.668 5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.840 7.771 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.484 6.925 6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.256 7.979 5.822 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.276 5.151 6.658 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.266 4.423 7.406 1.00 0.00 C ATOM 1455 C ILE A 105 0.570 5.412 8.221 1.00 0.00 C ATOM 1456 O ILE A 105 0.853 5.174 9.393 1.00 0.00 O ATOM 1457 CB ILE A 105 0.564 3.542 6.470 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.266 2.370 5.943 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.849 3.073 7.154 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.213 1.938 4.554 1.00 0.00 C ATOM 0 H ILE A 105 -1.023 5.360 5.692 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.735 3.741 8.115 1.00 0.00 H new ATOM 0 HB ILE A 105 0.859 4.141 5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.195 1.530 6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.317 2.656 5.896 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.420 2.449 6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.446 3.939 7.439 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.598 2.497 8.044 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.394 1.103 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.117 2.773 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.257 1.629 4.609 1.00 0.00 H new ATOM 1471 N GLN A 106 0.943 6.502 7.565 1.00 0.00 N ATOM 1472 CA GLN A 106 1.741 7.529 8.213 1.00 0.00 C ATOM 1473 C GLN A 106 0.950 8.177 9.352 1.00 0.00 C ATOM 1474 O GLN A 106 1.532 8.642 10.332 1.00 0.00 O ATOM 1475 CB GLN A 106 2.209 8.579 7.203 1.00 0.00 C ATOM 1476 CG GLN A 106 3.139 7.959 6.160 1.00 0.00 C ATOM 1477 CD GLN A 106 4.238 8.942 5.751 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.684 9.773 6.528 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.649 8.804 4.494 1.00 0.00 N ATOM 0 H GLN A 106 0.707 6.696 6.592 1.00 0.00 H new ATOM 0 HA GLN A 106 2.629 7.059 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.345 9.023 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.726 9.385 7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.589 7.052 6.563 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.563 7.666 5.282 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.234 8.088 3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.379 9.414 4.126 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.364 8.186 9.186 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.241 8.770 10.185 1.00 0.00 C ATOM 1488 C ASN A 107 -1.881 7.652 11.011 1.00 0.00 C ATOM 1489 O ASN A 107 -2.814 7.894 11.774 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.365 9.577 9.532 1.00 0.00 C ATOM 1491 CG ASN A 107 -1.891 10.986 9.172 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -1.715 11.844 10.020 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -1.693 11.174 7.871 1.00 0.00 N ATOM 0 H ASN A 107 -0.843 7.798 8.373 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.642 9.430 10.812 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.710 9.065 8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.215 9.638 10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.374 12.081 7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -1.860 10.412 7.214 1.00 0.00 H new ATOM 1499 N SER A 108 -1.352 6.449 10.829 1.00 0.00 N ATOM 1500 CA SER A 108 -1.861 5.292 11.547 1.00 0.00 C ATOM 1501 C SER A 108 -1.861 5.570 13.052 1.00 0.00 C ATOM 1502 O SER A 108 -2.569 4.908 13.809 1.00 0.00 O ATOM 1503 CB SER A 108 -1.033 4.044 11.237 1.00 0.00 C ATOM 1504 OG SER A 108 0.348 4.234 11.533 1.00 0.00 O ATOM 0 H SER A 108 -0.577 6.251 10.196 1.00 0.00 H new ATOM 0 HA SER A 108 -2.884 5.107 11.218 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.415 3.202 11.814 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.146 3.786 10.184 1.00 0.00 H new ATOM 0 HG SER A 108 0.846 4.370 10.700 1.00 0.00 H new ATOM 1509 N ASP A 109 -1.058 6.550 13.441 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.958 6.921 14.842 1.00 0.00 C ATOM 1511 C ASP A 109 -0.011 5.953 15.556 1.00 0.00 C ATOM 1512 O ASP A 109 0.896 5.397 14.938 1.00 0.00 O ATOM 1513 CB ASP A 109 -2.320 6.846 15.533 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.527 7.854 16.665 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -2.425 9.064 16.373 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.785 7.390 17.797 1.00 0.00 O ATOM 0 H ASP A 109 -0.472 7.097 12.811 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.586 7.944 14.892 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.099 6.997 14.785 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.453 5.841 15.933 1.00 0.00 H new ATOM 1520 N THR A 110 -0.256 5.781 16.846 1.00 0.00 N ATOM 1521 CA THR A 110 0.563 4.889 17.650 1.00 0.00 C ATOM 1522 C THR A 110 0.627 3.501 17.009 1.00 0.00 C ATOM 1523 O THR A 110 1.711 2.954 16.813 1.00 0.00 O ATOM 1524 CB THR A 110 -0.008 4.875 19.070 1.00 0.00 C ATOM 1525 OG1 THR A 110 0.321 6.162 19.587 1.00 0.00 O ATOM 1526 CG2 THR A 110 0.736 3.904 19.990 1.00 0.00 C ATOM 0 H THR A 110 -1.009 6.244 17.355 1.00 0.00 H new ATOM 0 HA THR A 110 1.594 5.238 17.701 1.00 0.00 H new ATOM 0 HB THR A 110 -1.064 4.606 19.035 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.013 6.241 20.505 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.292 3.933 20.985 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.662 2.893 19.588 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.785 4.194 20.053 1.00 0.00 H new ATOM 1534 N THR A 111 -0.547 2.972 16.700 1.00 0.00 N ATOM 1535 CA THR A 111 -0.637 1.658 16.084 1.00 0.00 C ATOM 1536 C THR A 111 -1.089 1.781 14.627 1.00 0.00 C ATOM 1537 O THR A 111 -1.338 2.885 14.142 1.00 0.00 O ATOM 1538 CB THR A 111 -1.572 0.799 16.938 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.457 1.741 17.538 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.852 0.156 18.126 1.00 0.00 C ATOM 0 H THR A 111 -1.444 3.429 16.864 1.00 0.00 H new ATOM 0 HA THR A 111 0.337 1.170 16.050 1.00 0.00 H new ATOM 0 HB THR A 111 -2.018 0.021 16.318 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.099 1.269 18.108 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.560 -0.443 18.700 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.048 -0.483 17.761 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.435 0.935 18.764 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.179 0.635 13.971 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.596 0.601 12.578 1.00 0.00 C ATOM 1550 C LEU A 112 -2.254 -0.748 12.281 1.00 0.00 C ATOM 1551 O LEU A 112 -1.578 -1.775 12.230 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.418 0.926 11.659 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.757 1.124 10.180 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.215 -0.031 9.334 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -2.260 1.322 9.984 1.00 0.00 C ATOM 0 H LEU A 112 -0.971 -0.277 14.377 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.343 1.371 12.384 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.064 1.832 12.025 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.313 0.121 11.739 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.265 2.034 9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.470 0.134 8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.869 -0.083 9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.658 -0.968 9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.474 1.460 8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.793 0.445 10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.586 2.202 10.538 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.565 -0.702 12.093 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.322 -1.907 11.801 1.00 0.00 C ATOM 1568 C GLU A 113 -4.461 -2.094 10.289 1.00 0.00 C ATOM 1569 O GLU A 113 -4.800 -1.153 9.573 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.694 -1.870 12.477 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.392 -3.228 12.378 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.704 -3.230 13.164 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -7.642 -3.556 14.369 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.738 -2.904 12.543 1.00 0.00 O ATOM 0 H GLU A 113 -4.122 0.151 12.137 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.777 -2.761 12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.580 -1.592 13.525 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.313 -1.104 12.010 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.590 -3.463 11.332 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.734 -4.008 12.761 1.00 0.00 H new ATOM 1579 N LEU A 114 -4.192 -3.315 9.849 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.284 -3.637 8.435 1.00 0.00 C ATOM 1581 C LEU A 114 -5.147 -4.888 8.255 1.00 0.00 C ATOM 1582 O LEU A 114 -5.463 -5.572 9.227 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.886 -3.760 7.822 1.00 0.00 C ATOM 1584 CG LEU A 114 -2.003 -2.515 7.913 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.521 -2.895 7.929 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -2.328 -1.528 6.791 1.00 0.00 C ATOM 0 H LEU A 114 -3.911 -4.092 10.446 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.776 -2.830 7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.368 -4.585 8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.994 -4.029 6.771 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.218 -2.012 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.086 -1.992 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.318 -3.531 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.273 -3.433 7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.686 -0.652 6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.159 -2.006 5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.371 -1.222 6.867 1.00 0.00 H new ATOM 1597 N SER A 115 -5.502 -5.148 7.006 1.00 0.00 N ATOM 1598 CA SER A 115 -6.322 -6.305 6.688 1.00 0.00 C ATOM 1599 C SER A 115 -5.881 -6.906 5.352 1.00 0.00 C ATOM 1600 O SER A 115 -5.795 -6.201 4.348 1.00 0.00 O ATOM 1601 CB SER A 115 -7.806 -5.931 6.637 1.00 0.00 C ATOM 1602 OG SER A 115 -8.645 -7.082 6.638 1.00 0.00 O ATOM 0 H SER A 115 -5.237 -4.578 6.202 1.00 0.00 H new ATOM 0 HA SER A 115 -6.188 -7.047 7.476 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.051 -5.302 7.493 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.001 -5.341 5.742 1.00 0.00 H new ATOM 0 HG SER A 115 -8.423 -7.648 7.406 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.614 -8.204 5.383 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.184 -8.908 4.188 1.00 0.00 C ATOM 1609 C VAL A 116 -6.207 -9.993 3.844 1.00 0.00 C ATOM 1610 O VAL A 116 -7.295 -10.027 4.415 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.771 -9.460 4.385 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.851 -8.402 5.001 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.792 -10.731 5.235 1.00 0.00 C ATOM 0 H VAL A 116 -5.687 -8.786 6.218 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.136 -8.225 3.340 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.373 -9.721 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.852 -8.819 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.799 -7.536 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.245 -8.097 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.775 -11.102 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.219 -10.508 6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.397 -11.490 4.740 1.00 0.00 H new ATOM 1623 N MET A 117 -5.820 -10.854 2.914 1.00 0.00 N ATOM 1624 CA MET A 117 -6.690 -11.936 2.488 1.00 0.00 C ATOM 1625 C MET A 117 -5.895 -13.227 2.280 1.00 0.00 C ATOM 1626 O MET A 117 -5.439 -13.508 1.172 1.00 0.00 O ATOM 1627 CB MET A 117 -7.387 -11.550 1.183 1.00 0.00 C ATOM 1628 CG MET A 117 -8.812 -11.059 1.447 1.00 0.00 C ATOM 1629 SD MET A 117 -9.855 -12.433 1.906 1.00 0.00 S ATOM 1630 CE MET A 117 -10.283 -11.953 3.571 1.00 0.00 C ATOM 0 H MET A 117 -4.915 -10.824 2.444 1.00 0.00 H new ATOM 0 HA MET A 117 -7.432 -12.108 3.268 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.817 -10.769 0.679 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.413 -12.409 0.512 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.807 -10.314 2.242 1.00 0.00 H new ATOM 0 HG3 MET A 117 -9.209 -10.572 0.556 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.450 -12.845 4.175 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.469 -11.370 4.002 1.00 0.00 H new ATOM 0 HE3 MET A 117 -11.192 -11.351 3.554 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.750 -13.999 3.390 1.00 0.00 N ATOM 1639 CA PRO A 118 -5.018 -15.254 3.340 1.00 0.00 C ATOM 1640 C PRO A 118 -5.844 -16.342 2.650 1.00 0.00 C ATOM 1641 O PRO A 118 -7.028 -16.149 2.378 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.698 -15.581 4.789 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.657 -14.749 5.626 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.277 -13.698 4.718 1.00 0.00 C ATOM 0 HA PRO A 118 -4.104 -15.185 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.829 -16.645 4.987 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.662 -15.338 5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.431 -15.381 6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.129 -14.275 6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.365 -13.753 4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.004 -12.691 5.034 1.00 0.00 H new ATOM 1649 N LYS A 119 -5.186 -17.462 2.386 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.843 -18.580 1.734 1.00 0.00 C ATOM 1651 C LYS A 119 -5.147 -19.882 2.136 1.00 0.00 C ATOM 1652 O LYS A 119 -5.654 -20.627 2.974 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.903 -18.358 0.221 1.00 0.00 C ATOM 1654 CG LYS A 119 -6.138 -19.677 -0.519 1.00 0.00 C ATOM 1655 CD LYS A 119 -6.287 -19.442 -2.023 1.00 0.00 C ATOM 1656 CE LYS A 119 -7.444 -20.265 -2.594 1.00 0.00 C ATOM 1657 NZ LYS A 119 -7.229 -20.535 -4.032 1.00 0.00 N ATOM 0 H LYS A 119 -4.204 -17.618 2.613 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.879 -18.657 2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.703 -17.657 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.972 -17.906 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.305 -20.355 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.035 -20.161 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.460 -18.383 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.360 -19.710 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.531 -21.206 -2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.383 -19.728 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.024 -21.094 -4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.168 -19.635 -4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.344 -21.066 -4.157 1.00 0.00 H new