USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 555 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 Single : A 12 CYS SG : rot 180:sc= -0.94 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 150:sc= -1.39 (180deg=-3.45!) USER MOD Single : A 57 GLN : amide:sc= 0.918 K(o=0.92,f=0.049) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0425 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.149 X(o=0.15,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.3!) USER MOD Single : A 71 GLN : amide:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 72 CYS SG : rot -124:sc= -2.04 USER MOD Single : A 76 CYS SG : rot 12:sc= -3.09 USER MOD Single : A 84 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00513) USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 8 9.904 0.817 4.524 1.00 0.00 N ATOM 69 CA ILE A 8 8.708 1.543 4.931 1.00 0.00 C ATOM 70 C ILE A 8 7.674 0.601 5.538 1.00 0.00 C ATOM 71 O ILE A 8 7.379 -0.455 4.980 1.00 0.00 O ATOM 72 CB ILE A 8 8.070 2.289 3.744 1.00 0.00 C ATOM 73 CG1 ILE A 8 9.130 3.088 2.984 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.956 3.205 4.229 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.650 3.616 1.651 1.00 0.00 C ATOM 0 HA ILE A 8 9.020 2.270 5.681 1.00 0.00 H new ATOM 0 HB ILE A 8 7.639 1.554 3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.454 3.926 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.003 2.455 2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.516 3.725 3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.189 2.613 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.364 3.935 4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.454 4.172 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.353 2.782 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.796 4.275 1.807 1.00 0.00 H new ATOM 87 N ASP A 9 7.128 0.989 6.686 1.00 0.00 N ATOM 88 CA ASP A 9 6.128 0.179 7.369 1.00 0.00 C ATOM 89 C ASP A 9 4.961 1.038 7.843 1.00 0.00 C ATOM 90 O ASP A 9 4.926 2.245 7.600 1.00 0.00 O ATOM 91 CB ASP A 9 6.757 -0.549 8.558 1.00 0.00 C ATOM 92 CG ASP A 9 7.468 -1.823 8.147 1.00 0.00 C ATOM 93 OD1 ASP A 9 8.215 -1.788 7.146 1.00 0.00 O ATOM 94 OD2 ASP A 9 7.278 -2.855 8.823 1.00 0.00 O ATOM 0 H ASP A 9 7.362 1.860 7.162 1.00 0.00 H new ATOM 0 HA ASP A 9 5.748 -0.557 6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.465 0.115 9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.981 -0.788 9.286 1.00 0.00 H new ATOM 99 N VAL A 10 4.006 0.409 8.521 1.00 0.00 N ATOM 100 CA VAL A 10 2.837 1.116 9.030 1.00 0.00 C ATOM 101 C VAL A 10 3.240 2.203 10.020 1.00 0.00 C ATOM 102 O VAL A 10 4.082 1.982 10.890 1.00 0.00 O ATOM 103 CB VAL A 10 1.850 0.150 9.715 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.568 0.876 10.097 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.549 -1.039 8.813 1.00 0.00 C ATOM 0 H VAL A 10 4.019 -0.589 8.730 1.00 0.00 H new ATOM 0 HA VAL A 10 2.346 1.575 8.172 1.00 0.00 H new ATOM 0 HB VAL A 10 2.314 -0.225 10.627 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.116 0.177 10.579 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.801 1.689 10.785 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.099 1.283 9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.851 -1.709 9.315 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.107 -0.686 7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.473 -1.575 8.596 1.00 0.00 H new ATOM 115 N GLY A 11 2.634 3.376 9.881 1.00 0.00 N ATOM 116 CA GLY A 11 2.942 4.481 10.769 1.00 0.00 C ATOM 117 C GLY A 11 4.203 5.217 10.362 1.00 0.00 C ATOM 118 O GLY A 11 5.056 5.511 11.200 1.00 0.00 O ATOM 0 H GLY A 11 1.934 3.582 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.105 5.179 10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.056 4.105 11.786 1.00 0.00 H new ATOM 122 N CYS A 12 4.323 5.516 9.072 1.00 0.00 N ATOM 123 CA CYS A 12 5.491 6.221 8.557 1.00 0.00 C ATOM 124 C CYS A 12 5.089 7.222 7.474 1.00 0.00 C ATOM 125 O CYS A 12 4.245 6.927 6.629 1.00 0.00 O ATOM 126 CB CYS A 12 6.507 5.224 7.997 1.00 0.00 C ATOM 127 SG CYS A 12 8.221 5.588 8.444 1.00 0.00 S ATOM 0 H CYS A 12 3.626 5.281 8.365 1.00 0.00 H new ATOM 0 HA CYS A 12 5.948 6.770 9.381 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.254 4.225 8.353 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.422 5.206 6.910 1.00 0.00 H new ATOM 0 HG CYS A 12 9.005 4.689 7.927 1.00 0.00 H new ATOM 133 N PRO A 13 5.692 8.426 7.484 1.00 0.00 N ATOM 134 CA PRO A 13 5.391 9.465 6.497 1.00 0.00 C ATOM 135 C PRO A 13 6.001 9.164 5.133 1.00 0.00 C ATOM 136 O PRO A 13 7.222 9.090 4.991 1.00 0.00 O ATOM 137 CB PRO A 13 6.025 10.717 7.102 1.00 0.00 C ATOM 138 CG PRO A 13 7.156 10.203 7.923 1.00 0.00 C ATOM 139 CD PRO A 13 6.713 8.866 8.456 1.00 0.00 C ATOM 0 HA PRO A 13 4.321 9.557 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.375 11.399 6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.310 11.269 7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.060 10.103 7.322 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.389 10.889 8.737 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.543 8.162 8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.299 8.952 9.461 1.00 0.00 H new ATOM 147 N VAL A 14 5.145 8.991 4.131 1.00 0.00 N ATOM 148 CA VAL A 14 5.601 8.697 2.778 1.00 0.00 C ATOM 149 C VAL A 14 4.726 9.392 1.740 1.00 0.00 C ATOM 150 O VAL A 14 3.503 9.432 1.872 1.00 0.00 O ATOM 151 CB VAL A 14 5.602 7.182 2.501 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.709 6.495 3.285 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.246 6.578 2.836 1.00 0.00 C ATOM 0 H VAL A 14 4.132 9.049 4.231 1.00 0.00 H new ATOM 0 HA VAL A 14 6.621 9.073 2.700 1.00 0.00 H new ATOM 0 HB VAL A 14 5.792 7.025 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.693 5.425 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.674 6.908 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.555 6.658 4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.265 5.507 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.024 6.745 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.477 7.049 2.224 1.00 0.00 H new ATOM 163 N LYS A 15 5.361 9.939 0.710 1.00 0.00 N ATOM 164 CA LYS A 15 4.641 10.634 -0.352 1.00 0.00 C ATOM 165 C LYS A 15 4.119 9.649 -1.393 1.00 0.00 C ATOM 166 O LYS A 15 4.781 8.662 -1.716 1.00 0.00 O ATOM 167 CB LYS A 15 5.551 11.666 -1.022 1.00 0.00 C ATOM 168 CG LYS A 15 5.844 12.875 -0.148 1.00 0.00 C ATOM 169 CD LYS A 15 6.390 14.033 -0.968 1.00 0.00 C ATOM 170 CE LYS A 15 7.219 14.978 -0.113 1.00 0.00 C ATOM 171 NZ LYS A 15 7.015 16.401 -0.500 1.00 0.00 N ATOM 0 H LYS A 15 6.373 9.915 0.587 1.00 0.00 H new ATOM 0 HA LYS A 15 3.789 11.145 0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.492 11.187 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.086 12.002 -1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.933 13.186 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.564 12.602 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.002 13.647 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.564 14.581 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.954 14.846 0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.274 14.723 -0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.598 17.013 0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.292 16.534 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.012 16.652 -0.384 1.00 0.00 H new ATOM 185 N VAL A 16 2.928 9.924 -1.914 1.00 0.00 N ATOM 186 CA VAL A 16 2.315 9.064 -2.919 1.00 0.00 C ATOM 187 C VAL A 16 1.984 9.849 -4.184 1.00 0.00 C ATOM 188 O VAL A 16 1.398 10.929 -4.121 1.00 0.00 O ATOM 189 CB VAL A 16 1.028 8.407 -2.387 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.528 7.348 -3.359 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.261 7.809 -1.006 1.00 0.00 C ATOM 0 H VAL A 16 2.368 10.737 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 16 3.041 8.286 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 16 0.261 9.176 -2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.382 6.895 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.316 7.810 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.291 6.580 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.339 7.350 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.044 7.053 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.566 8.595 -0.316 1.00 0.00 H new ATOM 201 N GLN A 17 2.365 9.299 -5.333 1.00 0.00 N ATOM 202 CA GLN A 17 2.108 9.948 -6.613 1.00 0.00 C ATOM 203 C GLN A 17 0.799 9.454 -7.221 1.00 0.00 C ATOM 204 O GLN A 17 0.643 8.267 -7.504 1.00 0.00 O ATOM 205 CB GLN A 17 3.264 9.688 -7.582 1.00 0.00 C ATOM 206 CG GLN A 17 3.610 10.885 -8.450 1.00 0.00 C ATOM 207 CD GLN A 17 5.044 10.854 -8.944 1.00 0.00 C ATOM 208 OE1 GLN A 17 5.647 9.788 -9.063 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.596 12.027 -9.232 1.00 0.00 N ATOM 0 H GLN A 17 2.853 8.406 -5.403 1.00 0.00 H new ATOM 0 HA GLN A 17 2.024 11.020 -6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.146 9.396 -7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.006 8.846 -8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.936 10.915 -9.306 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.445 11.801 -7.882 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.058 12.886 -9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.558 12.069 -9.567 1.00 0.00 H new ATOM 218 N LEU A 18 -0.139 10.375 -7.418 1.00 0.00 N ATOM 219 CA LEU A 18 -1.436 10.033 -7.992 1.00 0.00 C ATOM 220 C LEU A 18 -1.443 10.269 -9.499 1.00 0.00 C ATOM 221 O LEU A 18 -1.738 9.362 -10.278 1.00 0.00 O ATOM 222 CB LEU A 18 -2.543 10.855 -7.331 1.00 0.00 C ATOM 223 CG LEU A 18 -3.036 10.314 -5.987 1.00 0.00 C ATOM 224 CD1 LEU A 18 -4.151 11.190 -5.436 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.508 8.876 -6.134 1.00 0.00 C ATOM 0 H LEU A 18 -0.026 11.363 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.619 8.975 -7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.181 11.873 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.390 10.913 -8.015 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.205 10.333 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.489 10.790 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.780 12.205 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.984 11.203 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.855 8.507 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.325 8.833 -6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.683 8.256 -6.484 1.00 0.00 H new ATOM 237 N ARG A 19 -1.118 11.492 -9.904 1.00 0.00 N ATOM 238 CA ARG A 19 -1.087 11.846 -11.318 1.00 0.00 C ATOM 239 C ARG A 19 0.064 11.141 -12.030 1.00 0.00 C ATOM 240 O ARG A 19 0.708 10.257 -11.465 1.00 0.00 O ATOM 241 CB ARG A 19 -0.956 13.363 -11.482 1.00 0.00 C ATOM 242 CG ARG A 19 -2.144 14.003 -12.183 1.00 0.00 C ATOM 243 CD ARG A 19 -3.095 14.656 -11.192 1.00 0.00 C ATOM 244 NE ARG A 19 -4.471 14.197 -11.371 1.00 0.00 N ATOM 245 CZ ARG A 19 -5.535 14.843 -10.899 1.00 0.00 C ATOM 246 NH1 ARG A 19 -5.386 15.975 -10.222 1.00 0.00 N ATOM 247 NH2 ARG A 19 -6.751 14.357 -11.107 1.00 0.00 N ATOM 0 H ARG A 19 -0.872 12.255 -9.273 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.023 11.519 -11.771 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.837 13.818 -10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.050 13.582 -12.047 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.789 14.750 -12.893 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.679 13.246 -12.757 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.768 14.435 -10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.055 15.739 -11.311 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.625 13.331 -11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.453 16.354 -10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.205 16.466 -9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.871 13.489 -11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.567 14.852 -10.746 1.00 0.00 H new ATOM 261 N SER A 20 0.317 11.538 -13.274 1.00 0.00 N ATOM 262 CA SER A 20 1.389 10.944 -14.062 1.00 0.00 C ATOM 263 C SER A 20 2.704 11.683 -13.835 1.00 0.00 C ATOM 264 O SER A 20 3.115 12.506 -14.655 1.00 0.00 O ATOM 265 CB SER A 20 1.029 10.965 -15.549 1.00 0.00 C ATOM 266 OG SER A 20 -0.133 10.195 -15.802 1.00 0.00 O ATOM 0 H SER A 20 -0.206 12.268 -13.757 1.00 0.00 H new ATOM 0 HA SER A 20 1.513 9.910 -13.740 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.866 11.993 -15.873 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.862 10.575 -16.134 1.00 0.00 H new ATOM 0 HG SER A 20 -0.344 10.225 -16.759 1.00 0.00 H new ATOM 272 N GLY A 21 3.360 11.386 -12.719 1.00 0.00 N ATOM 273 CA GLY A 21 4.621 12.031 -12.404 1.00 0.00 C ATOM 274 C GLY A 21 4.486 13.535 -12.268 1.00 0.00 C ATOM 275 O GLY A 21 5.311 14.288 -12.784 1.00 0.00 O ATOM 0 H GLY A 21 3.041 10.709 -12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.014 11.619 -11.474 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.347 11.804 -13.185 1.00 0.00 H new ATOM 279 N GLU A 22 3.441 13.972 -11.573 1.00 0.00 N ATOM 280 CA GLU A 22 3.199 15.397 -11.372 1.00 0.00 C ATOM 281 C GLU A 22 3.636 15.830 -9.976 1.00 0.00 C ATOM 282 O GLU A 22 4.582 16.603 -9.823 1.00 0.00 O ATOM 283 CB GLU A 22 1.719 15.719 -11.578 1.00 0.00 C ATOM 284 CG GLU A 22 1.396 17.199 -11.468 1.00 0.00 C ATOM 285 CD GLU A 22 2.244 18.051 -12.392 1.00 0.00 C ATOM 286 OE1 GLU A 22 1.908 18.142 -13.591 1.00 0.00 O ATOM 287 OE2 GLU A 22 3.245 18.628 -11.917 1.00 0.00 O ATOM 0 H GLU A 22 2.749 13.361 -11.140 1.00 0.00 H new ATOM 0 HA GLU A 22 3.788 15.947 -12.106 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.412 15.361 -12.561 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.131 15.172 -10.841 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.343 17.355 -11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.547 17.525 -10.439 1.00 0.00 H new ATOM 294 N GLU A 23 2.940 15.328 -8.961 1.00 0.00 N ATOM 295 CA GLU A 23 3.255 15.664 -7.577 1.00 0.00 C ATOM 296 C GLU A 23 2.831 14.543 -6.634 1.00 0.00 C ATOM 297 O GLU A 23 1.792 13.913 -6.832 1.00 0.00 O ATOM 298 CB GLU A 23 2.568 16.970 -7.178 1.00 0.00 C ATOM 299 CG GLU A 23 2.963 17.469 -5.799 1.00 0.00 C ATOM 300 CD GLU A 23 2.416 18.851 -5.499 1.00 0.00 C ATOM 301 OE1 GLU A 23 3.004 19.840 -5.984 1.00 0.00 O ATOM 302 OE2 GLU A 23 1.397 18.943 -4.781 1.00 0.00 O ATOM 0 H GLU A 23 2.154 14.687 -9.071 1.00 0.00 H new ATOM 0 HA GLU A 23 4.335 15.791 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.808 17.737 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.488 16.826 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.602 16.768 -5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.050 17.488 -5.721 1.00 0.00 H new ATOM 309 N LYS A 24 3.640 14.300 -5.609 1.00 0.00 N ATOM 310 CA LYS A 24 3.347 13.255 -4.635 1.00 0.00 C ATOM 311 C LYS A 24 2.821 13.857 -3.335 1.00 0.00 C ATOM 312 O LYS A 24 3.385 14.817 -2.811 1.00 0.00 O ATOM 313 CB LYS A 24 4.601 12.423 -4.354 1.00 0.00 C ATOM 314 CG LYS A 24 5.373 12.045 -5.608 1.00 0.00 C ATOM 315 CD LYS A 24 6.723 11.433 -5.267 1.00 0.00 C ATOM 316 CE LYS A 24 6.698 9.919 -5.405 1.00 0.00 C ATOM 317 NZ LYS A 24 8.069 9.335 -5.368 1.00 0.00 N ATOM 0 H LYS A 24 4.504 14.812 -5.431 1.00 0.00 H new ATOM 0 HA LYS A 24 2.577 12.608 -5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.257 12.983 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.313 11.514 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.789 11.337 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.519 12.930 -6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.488 11.847 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.999 11.702 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.099 9.491 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.213 9.648 -6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.028 8.378 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.452 9.287 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.685 9.933 -4.781 1.00 0.00 H new ATOM 331 N PHE A 25 1.737 13.286 -2.821 1.00 0.00 N ATOM 332 CA PHE A 25 1.135 13.766 -1.582 1.00 0.00 C ATOM 333 C PHE A 25 1.684 13.003 -0.378 1.00 0.00 C ATOM 334 O PHE A 25 1.704 11.772 -0.372 1.00 0.00 O ATOM 335 CB PHE A 25 -0.387 13.619 -1.642 1.00 0.00 C ATOM 336 CG PHE A 25 -1.026 14.420 -2.740 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.665 15.741 -2.952 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.986 13.851 -3.561 1.00 0.00 C ATOM 339 CE1 PHE A 25 -1.251 16.480 -3.962 1.00 0.00 C ATOM 340 CE2 PHE A 25 -2.576 14.585 -4.572 1.00 0.00 C ATOM 341 CZ PHE A 25 -2.208 15.901 -4.774 1.00 0.00 C ATOM 0 H PHE A 25 1.257 12.491 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 25 1.389 14.820 -1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.637 12.567 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.811 13.926 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.083 16.198 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.276 12.822 -3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.962 17.509 -4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.324 14.130 -5.204 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.667 16.476 -5.565 1.00 0.00 H new ATOM 351 N PRO A 26 2.138 13.723 0.665 1.00 0.00 N ATOM 352 CA PRO A 26 2.685 13.098 1.873 1.00 0.00 C ATOM 353 C PRO A 26 1.599 12.498 2.758 1.00 0.00 C ATOM 354 O PRO A 26 0.576 13.132 3.017 1.00 0.00 O ATOM 355 CB PRO A 26 3.374 14.261 2.586 1.00 0.00 C ATOM 356 CG PRO A 26 2.608 15.465 2.162 1.00 0.00 C ATOM 357 CD PRO A 26 2.155 15.197 0.751 1.00 0.00 C ATOM 0 HA PRO A 26 3.350 12.267 1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.348 14.135 3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.423 14.337 2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.755 15.636 2.819 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.230 16.359 2.208 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.169 15.621 0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.837 15.633 0.021 1.00 0.00 H new ATOM 365 N GLY A 27 1.826 11.272 3.220 1.00 0.00 N ATOM 366 CA GLY A 27 0.856 10.609 4.071 1.00 0.00 C ATOM 367 C GLY A 27 1.485 9.553 4.958 1.00 0.00 C ATOM 368 O GLY A 27 2.542 9.010 4.634 1.00 0.00 O ATOM 0 H GLY A 27 2.664 10.727 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.357 11.351 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.089 10.147 3.450 1.00 0.00 H new ATOM 372 N VAL A 28 0.835 9.261 6.079 1.00 0.00 N ATOM 373 CA VAL A 28 1.335 8.262 7.015 1.00 0.00 C ATOM 374 C VAL A 28 0.706 6.898 6.749 1.00 0.00 C ATOM 375 O VAL A 28 -0.508 6.785 6.584 1.00 0.00 O ATOM 376 CB VAL A 28 1.058 8.673 8.475 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.437 8.796 8.726 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.688 7.679 9.440 1.00 0.00 C ATOM 0 H VAL A 28 -0.040 9.703 6.361 1.00 0.00 H new ATOM 0 HA VAL A 28 2.413 8.195 6.865 1.00 0.00 H new ATOM 0 HB VAL A 28 1.511 9.649 8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.609 9.087 9.762 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.856 9.552 8.062 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.918 7.837 8.533 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.481 7.986 10.465 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.269 6.688 9.267 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.766 7.650 9.280 1.00 0.00 H new ATOM 388 N VAL A 29 1.541 5.864 6.709 1.00 0.00 N ATOM 389 CA VAL A 29 1.066 4.508 6.462 1.00 0.00 C ATOM 390 C VAL A 29 0.142 4.038 7.580 1.00 0.00 C ATOM 391 O VAL A 29 0.445 4.208 8.762 1.00 0.00 O ATOM 392 CB VAL A 29 2.237 3.517 6.328 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.739 2.165 5.840 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.302 4.070 5.394 1.00 0.00 C ATOM 0 H VAL A 29 2.549 5.940 6.844 1.00 0.00 H new ATOM 0 HA VAL A 29 0.513 4.533 5.523 1.00 0.00 H new ATOM 0 HB VAL A 29 2.686 3.380 7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.580 1.478 5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.017 1.765 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.262 2.282 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.121 3.355 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.869 4.240 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.681 5.012 5.791 1.00 0.00 H new ATOM 404 N ARG A 30 -0.986 3.447 7.201 1.00 0.00 N ATOM 405 CA ARG A 30 -1.955 2.952 8.173 1.00 0.00 C ATOM 406 C ARG A 30 -2.081 1.434 8.095 1.00 0.00 C ATOM 407 O ARG A 30 -2.256 0.763 9.112 1.00 0.00 O ATOM 408 CB ARG A 30 -3.320 3.600 7.939 1.00 0.00 C ATOM 409 CG ARG A 30 -3.287 5.120 7.980 1.00 0.00 C ATOM 410 CD ARG A 30 -2.918 5.636 9.362 1.00 0.00 C ATOM 411 NE ARG A 30 -3.977 6.462 9.939 1.00 0.00 N ATOM 412 CZ ARG A 30 -3.956 6.931 11.185 1.00 0.00 C ATOM 413 NH1 ARG A 30 -2.935 6.658 11.987 1.00 0.00 N ATOM 414 NH2 ARG A 30 -4.959 7.676 11.629 1.00 0.00 N ATOM 0 H ARG A 30 -1.252 3.299 6.228 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.599 3.218 9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.704 3.279 6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.018 3.239 8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.567 5.488 7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.262 5.513 7.693 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.716 4.792 10.022 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.999 6.218 9.298 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.779 6.693 9.353 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.161 6.086 11.650 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.924 7.020 12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.746 7.889 11.016 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.944 8.036 12.583 1.00 0.00 H new ATOM 428 N PHE A 31 -1.993 0.898 6.882 1.00 0.00 N ATOM 429 CA PHE A 31 -2.099 -0.542 6.673 1.00 0.00 C ATOM 430 C PHE A 31 -1.154 -1.003 5.568 1.00 0.00 C ATOM 431 O PHE A 31 -0.649 -0.193 4.791 1.00 0.00 O ATOM 432 CB PHE A 31 -3.538 -0.921 6.319 1.00 0.00 C ATOM 433 CG PHE A 31 -3.787 -2.403 6.324 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.074 -3.067 7.506 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.732 -3.131 5.147 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.303 -4.429 7.514 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.960 -4.495 5.148 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.245 -5.144 6.334 1.00 0.00 C ATOM 0 H PHE A 31 -1.849 1.439 6.029 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.815 -1.040 7.600 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.215 -0.445 7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.778 -0.524 5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.119 -2.513 8.432 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.509 -2.628 4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.527 -4.934 8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.915 -5.052 4.224 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.422 -6.209 6.338 1.00 0.00 H new ATOM 448 N ARG A 32 -0.921 -2.310 5.504 1.00 0.00 N ATOM 449 CA ARG A 32 -0.037 -2.881 4.494 1.00 0.00 C ATOM 450 C ARG A 32 -0.403 -4.333 4.210 1.00 0.00 C ATOM 451 O ARG A 32 -0.655 -5.112 5.130 1.00 0.00 O ATOM 452 CB ARG A 32 1.420 -2.790 4.951 1.00 0.00 C ATOM 453 CG ARG A 32 2.411 -3.335 3.936 1.00 0.00 C ATOM 454 CD ARG A 32 3.632 -3.934 4.614 1.00 0.00 C ATOM 455 NE ARG A 32 4.115 -5.125 3.920 1.00 0.00 N ATOM 456 CZ ARG A 32 5.083 -5.913 4.384 1.00 0.00 C ATOM 457 NH1 ARG A 32 5.674 -5.639 5.540 1.00 0.00 N ATOM 458 NH2 ARG A 32 5.462 -6.976 3.689 1.00 0.00 N ATOM 0 H ARG A 32 -1.332 -2.994 6.140 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.158 -2.308 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.662 -1.748 5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.533 -3.337 5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.925 -4.094 3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.723 -2.535 3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.427 -3.189 4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.385 -4.190 5.644 1.00 0.00 H new ATOM 0 HE ARG A 32 3.685 -5.367 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.387 -4.821 6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.415 -6.246 5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.012 -7.190 2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.203 -7.580 4.044 1.00 0.00 H new ATOM 472 N GLY A 33 -0.431 -4.692 2.930 1.00 0.00 N ATOM 473 CA GLY A 33 -0.766 -6.051 2.549 1.00 0.00 C ATOM 474 C GLY A 33 -1.215 -6.154 1.100 1.00 0.00 C ATOM 475 O GLY A 33 -2.122 -5.436 0.681 1.00 0.00 O ATOM 0 H GLY A 33 -0.228 -4.066 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.101 -6.693 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.558 -6.423 3.199 1.00 0.00 H new ATOM 479 N PRO A 34 -0.595 -7.044 0.303 1.00 0.00 N ATOM 480 CA PRO A 34 -0.954 -7.220 -1.109 1.00 0.00 C ATOM 481 C PRO A 34 -2.438 -7.516 -1.296 1.00 0.00 C ATOM 482 O PRO A 34 -3.214 -7.478 -0.341 1.00 0.00 O ATOM 483 CB PRO A 34 -0.112 -8.421 -1.549 1.00 0.00 C ATOM 484 CG PRO A 34 1.035 -8.450 -0.600 1.00 0.00 C ATOM 485 CD PRO A 34 0.498 -7.946 0.710 1.00 0.00 C ATOM 0 HA PRO A 34 -0.766 -6.317 -1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.687 -9.346 -1.502 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.229 -8.309 -2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.431 -9.460 -0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.852 -7.822 -0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.135 -8.761 1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.262 -7.420 1.282 1.00 0.00 H new ATOM 628 N ILE A 44 3.082 -5.402 -3.565 1.00 0.00 N ATOM 629 CA ILE A 44 2.359 -5.251 -2.308 1.00 0.00 C ATOM 630 C ILE A 44 1.709 -3.874 -2.211 1.00 0.00 C ATOM 631 O ILE A 44 2.223 -2.896 -2.753 1.00 0.00 O ATOM 632 CB ILE A 44 3.289 -5.454 -1.096 1.00 0.00 C ATOM 633 CG1 ILE A 44 4.099 -6.744 -1.253 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.482 -5.480 0.193 1.00 0.00 C ATOM 635 CD1 ILE A 44 5.583 -6.558 -1.020 1.00 0.00 C ATOM 0 HA ILE A 44 1.585 -6.018 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 44 3.985 -4.617 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.720 -7.489 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.944 -7.141 -2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.153 -5.624 1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.950 -4.536 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.764 -6.299 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.094 -7.512 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.976 -5.837 -1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.749 -6.190 -0.007 1.00 0.00 H new ATOM 647 N PHE A 45 0.578 -3.806 -1.515 1.00 0.00 N ATOM 648 CA PHE A 45 -0.141 -2.548 -1.347 1.00 0.00 C ATOM 649 C PHE A 45 0.109 -1.961 0.038 1.00 0.00 C ATOM 650 O PHE A 45 0.062 -2.672 1.042 1.00 0.00 O ATOM 651 CB PHE A 45 -1.640 -2.763 -1.561 1.00 0.00 C ATOM 652 CG PHE A 45 -2.017 -2.991 -2.997 1.00 0.00 C ATOM 653 CD1 PHE A 45 -2.008 -4.267 -3.535 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.378 -1.927 -3.808 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.353 -4.479 -4.856 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.725 -2.134 -5.131 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.712 -3.411 -5.655 1.00 0.00 C ATOM 0 H PHE A 45 0.140 -4.606 -1.059 1.00 0.00 H new ATOM 0 HA PHE A 45 0.228 -1.843 -2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.964 -3.619 -0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.180 -1.894 -1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.728 -5.106 -2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.389 -0.926 -3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.342 -5.479 -5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.006 -1.297 -5.753 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.982 -3.575 -6.688 1.00 0.00 H new ATOM 667 N PHE A 46 0.376 -0.659 0.084 1.00 0.00 N ATOM 668 CA PHE A 46 0.635 0.023 1.348 1.00 0.00 C ATOM 669 C PHE A 46 -0.357 1.161 1.565 1.00 0.00 C ATOM 670 O PHE A 46 -0.342 2.158 0.843 1.00 0.00 O ATOM 671 CB PHE A 46 2.065 0.567 1.374 1.00 0.00 C ATOM 672 CG PHE A 46 3.100 -0.477 1.683 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.239 -1.593 0.874 1.00 0.00 C ATOM 674 CD2 PHE A 46 3.932 -0.341 2.782 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.191 -2.555 1.155 1.00 0.00 C ATOM 676 CE2 PHE A 46 4.886 -1.299 3.069 1.00 0.00 C ATOM 677 CZ PHE A 46 5.016 -2.408 2.254 1.00 0.00 C ATOM 0 H PHE A 46 0.419 -0.056 -0.738 1.00 0.00 H new ATOM 0 HA PHE A 46 0.513 -0.700 2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.292 1.016 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.129 1.361 2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.596 -1.713 0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.834 0.523 3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.290 -3.420 0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.529 -1.181 3.929 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.761 -3.158 2.476 1.00 0.00 H new ATOM 687 N GLY A 47 -1.216 1.007 2.569 1.00 0.00 N ATOM 688 CA GLY A 47 -2.200 2.032 2.865 1.00 0.00 C ATOM 689 C GLY A 47 -1.581 3.257 3.507 1.00 0.00 C ATOM 690 O GLY A 47 -1.007 3.174 4.592 1.00 0.00 O ATOM 0 H GLY A 47 -1.248 0.192 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.705 2.324 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.960 1.621 3.530 1.00 0.00 H new ATOM 694 N VAL A 48 -1.695 4.398 2.833 1.00 0.00 N ATOM 695 CA VAL A 48 -1.139 5.646 3.343 1.00 0.00 C ATOM 696 C VAL A 48 -2.203 6.737 3.405 1.00 0.00 C ATOM 697 O VAL A 48 -2.933 6.961 2.439 1.00 0.00 O ATOM 698 CB VAL A 48 0.031 6.135 2.471 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.723 7.322 3.121 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.019 5.004 2.220 1.00 0.00 C ATOM 0 H VAL A 48 -2.167 4.483 1.933 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.773 5.442 4.349 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.368 6.459 1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.547 7.653 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.009 8.137 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.109 7.028 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.840 5.368 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.413 4.647 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.513 4.186 1.707 1.00 0.00 H new ATOM 710 N GLU A 49 -2.283 7.413 4.546 1.00 0.00 N ATOM 711 CA GLU A 49 -3.257 8.483 4.734 1.00 0.00 C ATOM 712 C GLU A 49 -2.670 9.830 4.322 1.00 0.00 C ATOM 713 O GLU A 49 -1.725 10.320 4.941 1.00 0.00 O ATOM 714 CB GLU A 49 -3.714 8.536 6.193 1.00 0.00 C ATOM 715 CG GLU A 49 -4.937 9.409 6.416 1.00 0.00 C ATOM 716 CD GLU A 49 -5.444 9.348 7.844 1.00 0.00 C ATOM 717 OE1 GLU A 49 -5.637 8.226 8.357 1.00 0.00 O ATOM 718 OE2 GLU A 49 -5.648 10.422 8.448 1.00 0.00 O ATOM 0 H GLU A 49 -1.686 7.239 5.354 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.118 8.273 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.933 7.524 6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.895 8.909 6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.693 10.441 6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.731 9.095 5.739 1.00 0.00 H new ATOM 725 N LEU A 50 -3.236 10.421 3.275 1.00 0.00 N ATOM 726 CA LEU A 50 -2.768 11.712 2.781 1.00 0.00 C ATOM 727 C LEU A 50 -2.848 12.777 3.869 1.00 0.00 C ATOM 728 O LEU A 50 -3.840 12.867 4.593 1.00 0.00 O ATOM 729 CB LEU A 50 -3.591 12.145 1.567 1.00 0.00 C ATOM 730 CG LEU A 50 -3.599 11.153 0.402 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.887 11.277 -0.397 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.390 11.374 -0.493 1.00 0.00 C ATOM 0 H LEU A 50 -4.019 10.028 2.752 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.725 11.601 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.619 12.315 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.206 13.100 1.208 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.545 10.143 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.874 10.564 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.738 11.068 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.973 12.288 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.411 10.660 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.413 12.388 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.478 11.232 0.086 1.00 0.00 H new ATOM 744 N LEU A 51 -1.796 13.581 3.980 1.00 0.00 N ATOM 745 CA LEU A 51 -1.745 14.642 4.979 1.00 0.00 C ATOM 746 C LEU A 51 -2.487 15.883 4.493 1.00 0.00 C ATOM 747 O LEU A 51 -3.031 15.901 3.389 1.00 0.00 O ATOM 748 CB LEU A 51 -0.292 14.996 5.303 1.00 0.00 C ATOM 749 CG LEU A 51 0.348 14.151 6.407 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.809 13.870 6.086 1.00 0.00 C ATOM 751 CD2 LEU A 51 0.220 14.848 7.753 1.00 0.00 C ATOM 0 H LEU A 51 -0.966 13.518 3.390 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.234 14.280 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.303 14.892 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.246 16.045 5.596 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.180 13.199 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.247 13.268 6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.877 13.328 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.351 14.812 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.680 14.233 8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.722 15.815 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.834 14.996 7.987 1.00 0.00 H new ATOM 763 N GLU A 52 -2.506 16.920 5.326 1.00 0.00 N ATOM 764 CA GLU A 52 -3.181 18.167 4.982 1.00 0.00 C ATOM 765 C GLU A 52 -2.674 18.717 3.652 1.00 0.00 C ATOM 766 O GLU A 52 -3.407 19.387 2.926 1.00 0.00 O ATOM 767 CB GLU A 52 -2.974 19.204 6.088 1.00 0.00 C ATOM 768 CG GLU A 52 -1.522 19.618 6.269 1.00 0.00 C ATOM 769 CD GLU A 52 -1.245 21.016 5.751 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.333 21.222 4.522 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.940 21.904 6.573 1.00 0.00 O ATOM 0 H GLU A 52 -2.061 16.921 6.244 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.246 17.957 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.570 20.088 5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.348 18.800 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.263 19.569 7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.878 18.908 5.750 1.00 0.00 H new ATOM 778 N GLU A 53 -1.415 18.428 3.339 1.00 0.00 N ATOM 779 CA GLU A 53 -0.811 18.893 2.096 1.00 0.00 C ATOM 780 C GLU A 53 -1.554 18.333 0.887 1.00 0.00 C ATOM 781 O GLU A 53 -1.933 19.075 -0.019 1.00 0.00 O ATOM 782 CB GLU A 53 0.662 18.487 2.036 1.00 0.00 C ATOM 783 CG GLU A 53 1.459 19.236 0.981 1.00 0.00 C ATOM 784 CD GLU A 53 2.844 19.622 1.460 1.00 0.00 C ATOM 785 OE1 GLU A 53 2.955 20.606 2.222 1.00 0.00 O ATOM 786 OE2 GLU A 53 3.818 18.943 1.075 1.00 0.00 O ATOM 0 H GLU A 53 -0.794 17.874 3.929 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.882 19.980 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.117 18.658 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.727 17.417 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.547 18.615 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.915 20.135 0.691 1.00 0.00 H new ATOM 793 N GLY A 54 -1.760 17.020 0.882 1.00 0.00 N ATOM 794 CA GLY A 54 -2.457 16.381 -0.218 1.00 0.00 C ATOM 795 C GLY A 54 -3.693 15.630 0.237 1.00 0.00 C ATOM 796 O GLY A 54 -4.001 14.557 -0.282 1.00 0.00 O ATOM 0 H GLY A 54 -1.456 16.387 1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.743 17.136 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.780 15.690 -0.721 1.00 0.00 H new ATOM 800 N ARG A 55 -4.400 16.194 1.210 1.00 0.00 N ATOM 801 CA ARG A 55 -5.608 15.570 1.737 1.00 0.00 C ATOM 802 C ARG A 55 -6.774 15.738 0.769 1.00 0.00 C ATOM 803 O ARG A 55 -6.889 16.760 0.092 1.00 0.00 O ATOM 804 CB ARG A 55 -5.965 16.172 3.099 1.00 0.00 C ATOM 805 CG ARG A 55 -6.314 15.132 4.152 1.00 0.00 C ATOM 806 CD ARG A 55 -5.800 15.535 5.524 1.00 0.00 C ATOM 807 NE ARG A 55 -5.458 14.374 6.343 1.00 0.00 N ATOM 808 CZ ARG A 55 -4.932 14.456 7.563 1.00 0.00 C ATOM 809 NH1 ARG A 55 -4.685 15.641 8.108 1.00 0.00 N ATOM 810 NH2 ARG A 55 -4.651 13.351 8.239 1.00 0.00 N ATOM 0 H ARG A 55 -4.158 17.082 1.650 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.414 14.504 1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.125 16.769 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.809 16.851 2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.395 15.001 4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.887 14.170 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.921 16.170 5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.558 16.129 6.035 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.633 13.446 5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.898 16.494 7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.282 15.698 9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.838 12.438 7.824 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.248 13.414 9.174 1.00 0.00 H new ATOM 824 N GLY A 56 -7.638 14.731 0.709 1.00 0.00 N ATOM 825 CA GLY A 56 -8.784 14.786 -0.179 1.00 0.00 C ATOM 826 C GLY A 56 -8.457 14.308 -1.580 1.00 0.00 C ATOM 827 O GLY A 56 -9.017 14.801 -2.559 1.00 0.00 O ATOM 0 H GLY A 56 -7.565 13.876 1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.587 14.174 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.155 15.810 -0.225 1.00 0.00 H new ATOM 831 N GLN A 57 -7.548 13.343 -1.675 1.00 0.00 N ATOM 832 CA GLN A 57 -7.147 12.796 -2.966 1.00 0.00 C ATOM 833 C GLN A 57 -7.032 11.276 -2.902 1.00 0.00 C ATOM 834 O GLN A 57 -6.223 10.674 -3.607 1.00 0.00 O ATOM 835 CB GLN A 57 -5.813 13.401 -3.407 1.00 0.00 C ATOM 836 CG GLN A 57 -5.854 14.913 -3.562 1.00 0.00 C ATOM 837 CD GLN A 57 -6.442 15.347 -4.890 1.00 0.00 C ATOM 838 OE1 GLN A 57 -5.717 15.723 -5.811 1.00 0.00 O ATOM 839 NE2 GLN A 57 -7.766 15.298 -4.995 1.00 0.00 N ATOM 0 H GLN A 57 -7.076 12.924 -0.874 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.915 13.054 -3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.046 13.139 -2.678 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.517 12.954 -4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.442 15.342 -2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.844 15.312 -3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.329 14.980 -4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.219 15.579 -5.865 1.00 0.00 H new ATOM 848 N GLY A 58 -7.848 10.661 -2.051 1.00 0.00 N ATOM 849 CA GLY A 58 -7.823 9.217 -1.911 1.00 0.00 C ATOM 850 C GLY A 58 -8.960 8.542 -2.654 1.00 0.00 C ATOM 851 O GLY A 58 -10.008 9.148 -2.880 1.00 0.00 O ATOM 0 H GLY A 58 -8.526 11.137 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.872 8.835 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.879 8.957 -0.854 1.00 0.00 H new ATOM 855 N PHE A 59 -8.753 7.286 -3.032 1.00 0.00 N ATOM 856 CA PHE A 59 -9.769 6.527 -3.753 1.00 0.00 C ATOM 857 C PHE A 59 -10.361 5.434 -2.868 1.00 0.00 C ATOM 858 O PHE A 59 -11.579 5.302 -2.760 1.00 0.00 O ATOM 859 CB PHE A 59 -9.171 5.908 -5.018 1.00 0.00 C ATOM 860 CG PHE A 59 -7.855 5.223 -4.788 1.00 0.00 C ATOM 861 CD1 PHE A 59 -6.672 5.944 -4.799 1.00 0.00 C ATOM 862 CD2 PHE A 59 -7.800 3.856 -4.562 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.460 5.316 -4.588 1.00 0.00 C ATOM 864 CE2 PHE A 59 -6.591 3.223 -4.350 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.418 3.954 -4.363 1.00 0.00 C ATOM 0 H PHE A 59 -7.891 6.771 -2.851 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.568 7.213 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.879 5.188 -5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.039 6.689 -5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.698 7.009 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.713 3.280 -4.552 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.545 5.890 -4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.562 2.158 -4.174 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.471 3.461 -4.198 1.00 0.00 H new ATOM 875 N THR A 60 -9.489 4.652 -2.240 1.00 0.00 N ATOM 876 CA THR A 60 -9.926 3.570 -1.365 1.00 0.00 C ATOM 877 C THR A 60 -10.717 4.113 -0.180 1.00 0.00 C ATOM 878 O THR A 60 -11.780 3.593 0.161 1.00 0.00 O ATOM 879 CB THR A 60 -8.721 2.769 -0.869 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.131 1.758 0.036 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.683 3.619 -0.167 1.00 0.00 C ATOM 0 H THR A 60 -8.477 4.747 -2.321 1.00 0.00 H new ATOM 0 HA THR A 60 -10.578 2.912 -1.940 1.00 0.00 H new ATOM 0 HB THR A 60 -8.270 2.341 -1.764 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.347 1.255 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.856 2.988 0.159 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.311 4.379 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.134 4.102 0.700 1.00 0.00 H new ATOM 889 N ASP A 61 -10.192 5.162 0.446 1.00 0.00 N ATOM 890 CA ASP A 61 -10.850 5.776 1.595 1.00 0.00 C ATOM 891 C ASP A 61 -11.067 4.757 2.710 1.00 0.00 C ATOM 892 O ASP A 61 -12.071 4.802 3.419 1.00 0.00 O ATOM 893 CB ASP A 61 -12.190 6.383 1.176 1.00 0.00 C ATOM 894 CG ASP A 61 -12.040 7.413 0.073 1.00 0.00 C ATOM 895 OD1 ASP A 61 -11.067 7.312 -0.704 1.00 0.00 O ATOM 896 OD2 ASP A 61 -12.892 8.320 -0.013 1.00 0.00 O ATOM 0 H ASP A 61 -9.313 5.605 0.177 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.201 6.566 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.856 5.589 0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.661 6.848 2.042 1.00 0.00 H new ATOM 901 N GLY A 62 -10.118 3.839 2.858 1.00 0.00 N ATOM 902 CA GLY A 62 -10.224 2.822 3.887 1.00 0.00 C ATOM 903 C GLY A 62 -10.795 1.521 3.359 1.00 0.00 C ATOM 904 O GLY A 62 -10.507 0.448 3.889 1.00 0.00 O ATOM 0 H GLY A 62 -9.277 3.781 2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.238 2.636 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.856 3.191 4.695 1.00 0.00 H new ATOM 908 N VAL A 63 -11.607 1.615 2.311 1.00 0.00 N ATOM 909 CA VAL A 63 -12.219 0.437 1.710 1.00 0.00 C ATOM 910 C VAL A 63 -11.761 0.258 0.265 1.00 0.00 C ATOM 911 O VAL A 63 -11.894 1.164 -0.556 1.00 0.00 O ATOM 912 CB VAL A 63 -13.758 0.525 1.744 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.247 1.728 0.951 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.382 -0.759 1.218 1.00 0.00 C ATOM 0 H VAL A 63 -11.856 2.496 1.861 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.899 -0.423 2.299 1.00 0.00 H new ATOM 0 HB VAL A 63 -14.069 0.654 2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.336 1.770 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.833 2.640 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.923 1.636 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.468 -0.676 1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.062 -0.924 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.064 -1.598 1.837 1.00 0.00 H new ATOM 924 N TYR A 64 -11.218 -0.918 -0.036 1.00 0.00 N ATOM 925 CA TYR A 64 -10.738 -1.217 -1.381 1.00 0.00 C ATOM 926 C TYR A 64 -11.604 -2.282 -2.045 1.00 0.00 C ATOM 927 O TYR A 64 -11.647 -3.428 -1.597 1.00 0.00 O ATOM 928 CB TYR A 64 -9.282 -1.682 -1.334 1.00 0.00 C ATOM 929 CG TYR A 64 -8.600 -1.677 -2.684 1.00 0.00 C ATOM 930 CD1 TYR A 64 -8.200 -0.487 -3.278 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.359 -2.864 -3.365 1.00 0.00 C ATOM 932 CE1 TYR A 64 -7.577 -0.479 -4.511 1.00 0.00 C ATOM 933 CE2 TYR A 64 -7.736 -2.864 -4.599 1.00 0.00 C ATOM 934 CZ TYR A 64 -7.348 -1.670 -5.168 1.00 0.00 C ATOM 935 OH TYR A 64 -6.728 -1.666 -6.397 1.00 0.00 O ATOM 0 H TYR A 64 -11.100 -1.679 0.633 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.801 -0.304 -1.973 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.726 -1.038 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.245 -2.690 -0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.379 0.448 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.663 -3.801 -2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.271 0.455 -4.958 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.554 -3.795 -5.115 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.641 -2.586 -6.723 1.00 0.00 H new ATOM 945 N GLN A 65 -12.291 -1.896 -3.115 1.00 0.00 N ATOM 946 CA GLN A 65 -13.155 -2.819 -3.843 1.00 0.00 C ATOM 947 C GLN A 65 -14.246 -3.382 -2.937 1.00 0.00 C ATOM 948 O GLN A 65 -14.760 -4.474 -3.175 1.00 0.00 O ATOM 949 CB GLN A 65 -12.330 -3.961 -4.437 1.00 0.00 C ATOM 950 CG GLN A 65 -11.711 -3.629 -5.785 1.00 0.00 C ATOM 951 CD GLN A 65 -11.180 -4.854 -6.502 1.00 0.00 C ATOM 952 OE1 GLN A 65 -11.934 -5.589 -7.139 1.00 0.00 O ATOM 953 NE2 GLN A 65 -9.875 -5.081 -6.399 1.00 0.00 N ATOM 0 H GLN A 65 -12.266 -0.951 -3.497 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.633 -2.265 -4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.537 -4.226 -3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.966 -4.839 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.457 -3.141 -6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.899 -2.916 -5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.288 -4.445 -5.860 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.461 -5.892 -6.859 1.00 0.00 H new ATOM 962 N GLY A 66 -14.594 -2.631 -1.896 1.00 0.00 N ATOM 963 CA GLY A 66 -15.621 -3.076 -0.973 1.00 0.00 C ATOM 964 C GLY A 66 -15.052 -3.826 0.214 1.00 0.00 C ATOM 965 O GLY A 66 -15.740 -4.636 0.833 1.00 0.00 O ATOM 0 H GLY A 66 -14.183 -1.724 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.183 -2.213 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.325 -3.719 -1.501 1.00 0.00 H new ATOM 969 N LYS A 67 -13.790 -3.554 0.534 1.00 0.00 N ATOM 970 CA LYS A 67 -13.129 -4.209 1.656 1.00 0.00 C ATOM 971 C LYS A 67 -12.424 -3.188 2.542 1.00 0.00 C ATOM 972 O LYS A 67 -11.416 -2.601 2.149 1.00 0.00 O ATOM 973 CB LYS A 67 -12.123 -5.243 1.149 1.00 0.00 C ATOM 974 CG LYS A 67 -11.425 -6.009 2.262 1.00 0.00 C ATOM 975 CD LYS A 67 -11.952 -7.430 2.379 1.00 0.00 C ATOM 976 CE LYS A 67 -12.004 -7.888 3.827 1.00 0.00 C ATOM 977 NZ LYS A 67 -13.162 -8.787 4.085 1.00 0.00 N ATOM 0 H LYS A 67 -13.206 -2.885 0.032 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.890 -4.715 2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.638 -5.951 0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.373 -4.739 0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.352 -6.033 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.569 -5.488 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.949 -7.486 1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.315 -8.104 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.079 -8.407 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.067 -7.018 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.161 -9.077 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.047 -8.284 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.089 -9.630 3.480 1.00 0.00 H new ATOM 991 N GLN A 68 -12.960 -2.982 3.740 1.00 0.00 N ATOM 992 CA GLN A 68 -12.382 -2.033 4.684 1.00 0.00 C ATOM 993 C GLN A 68 -11.125 -2.604 5.330 1.00 0.00 C ATOM 994 O GLN A 68 -11.202 -3.361 6.299 1.00 0.00 O ATOM 995 CB GLN A 68 -13.404 -1.667 5.762 1.00 0.00 C ATOM 996 CG GLN A 68 -13.306 -0.224 6.228 1.00 0.00 C ATOM 997 CD GLN A 68 -14.119 0.723 5.367 1.00 0.00 C ATOM 998 OE1 GLN A 68 -15.147 0.344 4.807 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.660 1.965 5.257 1.00 0.00 N ATOM 0 H GLN A 68 -13.794 -3.460 4.080 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.108 -1.133 4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.407 -1.848 5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.268 -2.327 6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.649 -0.155 7.260 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.261 0.087 6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.803 2.237 5.739 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.165 2.647 4.691 1.00 0.00 H new ATOM 1008 N LEU A 69 -9.968 -2.239 4.789 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.694 -2.716 5.312 1.00 0.00 C ATOM 1010 C LEU A 69 -8.250 -1.879 6.507 1.00 0.00 C ATOM 1011 O LEU A 69 -7.580 -2.378 7.412 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.623 -2.675 4.220 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.784 -3.721 3.116 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -6.844 -3.423 1.958 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.532 -5.117 3.665 1.00 0.00 C ATOM 0 H LEU A 69 -9.887 -1.613 3.987 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.827 -3.746 5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.628 -1.685 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.646 -2.807 4.685 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.808 -3.677 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.972 -4.177 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.072 -2.439 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.813 -3.439 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.651 -5.849 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.519 -5.174 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.246 -5.329 4.461 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.627 -0.604 6.504 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.267 0.301 7.589 1.00 0.00 C ATOM 1029 C PHE A 70 -9.292 1.421 7.727 1.00 0.00 C ATOM 1030 O PHE A 70 -10.213 1.535 6.918 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.878 0.894 7.346 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.791 1.731 6.101 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.991 1.162 4.853 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.509 3.085 6.179 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.913 1.929 3.706 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.429 3.857 5.035 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.632 3.279 3.798 1.00 0.00 C ATOM 0 H PHE A 70 -9.181 -0.175 5.763 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.254 -0.272 8.516 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.597 1.504 8.204 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.152 0.083 7.280 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.210 0.107 4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.350 3.543 7.144 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.071 1.474 2.739 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.208 4.912 5.109 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.571 3.881 2.903 1.00 0.00 H new ATOM 1047 N GLN A 71 -9.126 2.245 8.756 1.00 0.00 N ATOM 1048 CA GLN A 71 -10.038 3.357 9.000 1.00 0.00 C ATOM 1049 C GLN A 71 -9.334 4.693 8.791 1.00 0.00 C ATOM 1050 O GLN A 71 -8.469 5.081 9.577 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.599 3.281 10.421 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.830 2.399 10.543 1.00 0.00 C ATOM 1053 CD GLN A 71 -13.121 3.195 10.545 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -13.963 3.032 11.427 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -13.281 4.064 9.553 1.00 0.00 N ATOM 0 H GLN A 71 -8.369 2.164 9.434 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.860 3.284 8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.824 2.904 11.089 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.848 4.287 10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.847 1.689 9.716 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.765 1.817 11.462 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.556 4.166 8.843 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.129 4.629 9.502 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.709 5.394 7.726 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.113 6.688 7.413 1.00 0.00 C ATOM 1066 C CYS A 72 -10.188 7.716 7.076 1.00 0.00 C ATOM 1067 O CYS A 72 -11.372 7.386 6.996 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.136 6.553 6.245 1.00 0.00 C ATOM 1069 SG CYS A 72 -8.885 5.917 4.726 1.00 0.00 S ATOM 0 H CYS A 72 -10.423 5.088 7.065 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.571 7.032 8.294 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -7.695 7.528 6.039 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -7.322 5.891 6.541 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.242 4.857 4.336 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.769 8.961 6.880 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.697 10.038 6.552 1.00 0.00 C ATOM 1077 C ASP A 73 -11.206 9.900 5.121 1.00 0.00 C ATOM 1078 O ASP A 73 -10.830 8.971 4.405 1.00 0.00 O ATOM 1079 CB ASP A 73 -10.020 11.397 6.736 1.00 0.00 C ATOM 1080 CG ASP A 73 -10.089 11.887 8.169 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -11.213 12.099 8.671 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -9.019 12.061 8.789 1.00 0.00 O ATOM 0 H ASP A 73 -8.793 9.250 6.942 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.548 9.970 7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.977 11.325 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.495 12.128 6.082 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.062 10.829 4.710 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.621 10.811 3.364 1.00 0.00 C ATOM 1089 C GLU A 74 -11.588 11.263 2.338 1.00 0.00 C ATOM 1090 O GLU A 74 -11.092 12.388 2.395 1.00 0.00 O ATOM 1091 CB GLU A 74 -13.856 11.710 3.291 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.605 11.611 1.972 1.00 0.00 C ATOM 1093 CD GLU A 74 -15.054 12.963 1.452 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -15.704 13.706 2.217 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -14.755 13.278 0.281 1.00 0.00 O ATOM 0 H GLU A 74 -12.384 11.604 5.290 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.911 9.786 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.533 11.449 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.552 12.745 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.964 11.135 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.476 10.968 2.101 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.268 10.378 1.399 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.293 10.686 0.359 1.00 0.00 C ATOM 1104 C ASP A 75 -8.928 10.997 0.967 1.00 0.00 C ATOM 1105 O ASP A 75 -8.319 12.022 0.661 1.00 0.00 O ATOM 1106 CB ASP A 75 -10.774 11.868 -0.486 1.00 0.00 C ATOM 1107 CG ASP A 75 -11.607 11.428 -1.674 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.216 10.339 -1.601 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -11.652 12.173 -2.676 1.00 0.00 O ATOM 0 H ASP A 75 -11.670 9.442 1.337 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.192 9.810 -0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.362 12.541 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.912 12.433 -0.840 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.455 10.106 1.831 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.163 10.286 2.484 1.00 0.00 C ATOM 1116 C CYS A 76 -6.309 9.029 2.357 1.00 0.00 C ATOM 1117 O CYS A 76 -5.142 9.094 1.972 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.358 10.637 3.960 1.00 0.00 C ATOM 1119 SG CYS A 76 -7.857 12.351 4.251 1.00 0.00 S ATOM 0 H CYS A 76 -8.946 9.252 2.096 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.645 11.107 1.988 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.112 9.973 4.384 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.428 10.445 4.494 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.206 12.898 3.125 1.00 0.00 H new ATOM 1125 N GLY A 77 -6.898 7.883 2.685 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.176 6.627 2.602 1.00 0.00 C ATOM 1127 C GLY A 77 -5.936 6.189 1.170 1.00 0.00 C ATOM 1128 O GLY A 77 -6.842 6.238 0.338 1.00 0.00 O ATOM 0 H GLY A 77 -7.863 7.802 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.219 6.727 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.737 5.853 3.126 1.00 0.00 H new ATOM 1132 N VAL A 78 -4.712 5.758 0.884 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.354 5.309 -0.457 1.00 0.00 C ATOM 1134 C VAL A 78 -3.417 4.108 -0.402 1.00 0.00 C ATOM 1135 O VAL A 78 -2.433 4.109 0.339 1.00 0.00 O ATOM 1136 CB VAL A 78 -3.681 6.433 -1.265 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -4.704 7.478 -1.684 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.557 7.070 -0.461 1.00 0.00 C ATOM 0 H VAL A 78 -3.952 5.710 1.562 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.282 5.021 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.251 5.998 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.209 8.264 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.470 7.010 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.167 7.910 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.093 7.862 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.961 7.490 0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.810 6.314 -0.218 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.726 3.084 -1.191 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.909 1.876 -1.232 1.00 0.00 C ATOM 1150 C PHE A 79 -1.998 1.877 -2.454 1.00 0.00 C ATOM 1151 O PHE A 79 -2.468 1.894 -3.592 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.801 0.633 -1.247 1.00 0.00 C ATOM 1153 CG PHE A 79 -4.109 0.098 0.122 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -3.096 -0.382 0.937 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.412 0.074 0.594 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.377 -0.874 2.197 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.699 -0.418 1.852 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.680 -0.893 2.656 1.00 0.00 C ATOM 0 H PHE A 79 -4.536 3.066 -1.811 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.286 1.857 -0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.736 0.873 -1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.313 -0.147 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.076 -0.371 0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.212 0.444 -0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.578 -1.244 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.719 -0.432 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.902 -1.278 3.640 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.691 1.861 -2.211 1.00 0.00 N ATOM 1169 CA VAL A 80 0.287 1.859 -3.292 1.00 0.00 C ATOM 1170 C VAL A 80 1.514 1.033 -2.921 1.00 0.00 C ATOM 1171 O VAL A 80 1.752 0.749 -1.747 1.00 0.00 O ATOM 1172 CB VAL A 80 0.733 3.290 -3.649 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.438 4.093 -4.192 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.345 3.978 -2.438 1.00 0.00 C ATOM 0 H VAL A 80 -0.285 1.849 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.200 1.412 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 80 1.495 3.230 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.105 5.101 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.826 3.609 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.224 4.145 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.654 4.987 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.608 4.028 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.213 3.413 -2.098 1.00 0.00 H new ATOM 1184 N ALA A 81 2.290 0.649 -3.930 1.00 0.00 N ATOM 1185 CA ALA A 81 3.492 -0.146 -3.710 1.00 0.00 C ATOM 1186 C ALA A 81 4.622 0.710 -3.151 1.00 0.00 C ATOM 1187 O ALA A 81 4.645 1.926 -3.338 1.00 0.00 O ATOM 1188 CB ALA A 81 3.925 -0.816 -5.005 1.00 0.00 C ATOM 0 H ALA A 81 2.107 0.876 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 81 3.259 -0.917 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.824 -1.406 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.128 -1.468 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.135 -0.055 -5.756 1.00 0.00 H new ATOM 1194 N LEU A 82 5.561 0.065 -2.463 1.00 0.00 N ATOM 1195 CA LEU A 82 6.699 0.765 -1.874 1.00 0.00 C ATOM 1196 C LEU A 82 7.379 1.659 -2.906 1.00 0.00 C ATOM 1197 O LEU A 82 7.720 2.807 -2.619 1.00 0.00 O ATOM 1198 CB LEU A 82 7.706 -0.240 -1.311 1.00 0.00 C ATOM 1199 CG LEU A 82 8.937 0.379 -0.646 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.677 0.630 0.831 1.00 0.00 C ATOM 1201 CD2 LEU A 82 10.150 -0.520 -0.831 1.00 0.00 C ATOM 0 H LEU A 82 5.556 -0.942 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 82 6.329 1.392 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.197 -0.871 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.038 -0.891 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 82 9.142 1.337 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.564 1.070 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.835 1.313 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.446 -0.314 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.017 -0.065 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.955 -1.492 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.349 -0.648 -1.895 1.00 0.00 H new ATOM 1213 N ASP A 83 7.566 1.125 -4.109 1.00 0.00 N ATOM 1214 CA ASP A 83 8.198 1.875 -5.187 1.00 0.00 C ATOM 1215 C ASP A 83 7.429 3.162 -5.467 1.00 0.00 C ATOM 1216 O ASP A 83 8.006 4.162 -5.897 1.00 0.00 O ATOM 1217 CB ASP A 83 8.270 1.023 -6.455 1.00 0.00 C ATOM 1218 CG ASP A 83 8.998 1.727 -7.584 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.040 2.359 -7.315 1.00 0.00 O ATOM 1220 OD2 ASP A 83 8.524 1.645 -8.737 1.00 0.00 O ATOM 0 H ASP A 83 7.289 0.176 -4.361 1.00 0.00 H new ATOM 0 HA ASP A 83 9.210 2.134 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.776 0.084 -6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.260 0.772 -6.779 1.00 0.00 H new ATOM 1225 N LYS A 84 6.124 3.133 -5.214 1.00 0.00 N ATOM 1226 CA LYS A 84 5.277 4.298 -5.433 1.00 0.00 C ATOM 1227 C LYS A 84 5.393 5.278 -4.270 1.00 0.00 C ATOM 1228 O LYS A 84 5.189 6.480 -4.436 1.00 0.00 O ATOM 1229 CB LYS A 84 3.820 3.870 -5.612 1.00 0.00 C ATOM 1230 CG LYS A 84 3.636 2.737 -6.609 1.00 0.00 C ATOM 1231 CD LYS A 84 3.306 3.264 -7.996 1.00 0.00 C ATOM 1232 CE LYS A 84 2.897 2.141 -8.935 1.00 0.00 C ATOM 1233 NZ LYS A 84 4.021 1.201 -9.200 1.00 0.00 N ATOM 0 H LYS A 84 5.631 2.315 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 84 5.614 4.797 -6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.420 3.561 -4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.235 4.730 -5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.546 2.138 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.837 2.078 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.499 3.994 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.172 3.784 -8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.060 1.593 -8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.548 2.564 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.711 0.469 -9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.823 1.725 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.315 0.752 -8.309 1.00 0.00 H new ATOM 1247 N LEU A 85 5.720 4.756 -3.090 1.00 0.00 N ATOM 1248 CA LEU A 85 5.863 5.586 -1.901 1.00 0.00 C ATOM 1249 C LEU A 85 7.257 6.200 -1.828 1.00 0.00 C ATOM 1250 O LEU A 85 8.237 5.590 -2.254 1.00 0.00 O ATOM 1251 CB LEU A 85 5.589 4.761 -0.641 1.00 0.00 C ATOM 1252 CG LEU A 85 4.122 4.391 -0.416 1.00 0.00 C ATOM 1253 CD1 LEU A 85 3.957 3.639 0.894 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.251 5.639 -0.429 1.00 0.00 C ATOM 0 H LEU A 85 5.890 3.763 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 85 5.134 6.394 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.176 3.844 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.944 5.320 0.225 1.00 0.00 H new ATOM 0 HG LEU A 85 3.802 3.739 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.907 3.384 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.552 2.726 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.294 4.267 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.210 5.358 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.572 6.315 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.346 6.139 -1.393 1.00 0.00 H new ATOM 1266 N GLU A 86 7.337 7.410 -1.287 1.00 0.00 N ATOM 1267 CA GLU A 86 8.612 8.108 -1.158 1.00 0.00 C ATOM 1268 C GLU A 86 8.790 8.660 0.252 1.00 0.00 C ATOM 1269 O GLU A 86 8.093 9.590 0.659 1.00 0.00 O ATOM 1270 CB GLU A 86 8.700 9.244 -2.179 1.00 0.00 C ATOM 1271 CG GLU A 86 10.120 9.542 -2.633 1.00 0.00 C ATOM 1272 CD GLU A 86 10.411 11.029 -2.695 1.00 0.00 C ATOM 1273 OE1 GLU A 86 9.840 11.710 -3.572 1.00 0.00 O ATOM 1274 OE2 GLU A 86 11.210 11.513 -1.865 1.00 0.00 O ATOM 0 H GLU A 86 6.534 7.929 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 86 9.411 7.392 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.095 8.988 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.269 10.146 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.824 9.066 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.283 9.102 -3.617 1.00 0.00 H new ATOM 1281 N LEU A 87 9.728 8.081 0.996 1.00 0.00 N ATOM 1282 CA LEU A 87 9.999 8.516 2.360 1.00 0.00 C ATOM 1283 C LEU A 87 10.486 9.961 2.386 1.00 0.00 C ATOM 1284 O LEU A 87 11.322 10.358 1.573 1.00 0.00 O ATOM 1285 CB LEU A 87 11.039 7.603 3.012 1.00 0.00 C ATOM 1286 CG LEU A 87 11.276 7.852 4.503 1.00 0.00 C ATOM 1287 CD1 LEU A 87 9.986 7.670 5.287 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.360 6.923 5.031 1.00 0.00 C ATOM 0 H LEU A 87 10.313 7.309 0.676 1.00 0.00 H new ATOM 0 HA LEU A 87 9.068 8.456 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.726 6.568 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.986 7.721 2.485 1.00 0.00 H new ATOM 0 HG LEU A 87 11.612 8.881 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.175 7.851 6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.238 8.376 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.619 6.652 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.516 7.113 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.052 5.887 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.289 7.103 4.490 1.00 0.00 H new ATOM 1300 N ILE A 88 9.960 10.742 3.323 1.00 0.00 N ATOM 1301 CA ILE A 88 10.343 12.142 3.454 1.00 0.00 C ATOM 1302 C ILE A 88 11.675 12.283 4.183 1.00 0.00 C ATOM 1303 O ILE A 88 11.879 11.692 5.243 1.00 0.00 O ATOM 1304 CB ILE A 88 9.270 12.951 4.209 1.00 0.00 C ATOM 1305 CG1 ILE A 88 7.885 12.672 3.626 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.589 14.437 4.150 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.772 13.418 4.329 1.00 0.00 C ATOM 0 H ILE A 88 9.267 10.429 4.003 1.00 0.00 H new ATOM 0 HA ILE A 88 10.441 12.537 2.443 1.00 0.00 H new ATOM 0 HB ILE A 88 9.270 12.641 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.883 12.943 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.685 11.602 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.822 14.995 4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.560 14.619 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.613 14.763 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.818 13.172 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.747 13.129 5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.948 14.491 4.252 1.00 0.00 H new