USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 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 11 THR OG1 : rot 180:sc= 0.0975 USER MOD Set 1.2: A 115 SER OG : rot -85:sc= 0.0468 USER MOD Single : A 10 LYS NZ :NH3+ 176:sc= 0.117 (180deg=0.111) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.42) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 130:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.608 (180deg=-1.95!) USER MOD Single : A 89 ASN : amide:sc= -0.579 K(o=-0.58,f=-3.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 141:sc= -0.0553 (180deg=-3.88!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.869 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 106 GLN : amide:sc= -0.04 X(o=-0.04,f=-0.34) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 87:sc= -0.472 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 165:sc= -2.68! (180deg=-3.02!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.665 -10.836 7.527 1.00 0.00 N ATOM 70 CA PRO A 9 -11.380 -10.330 7.071 1.00 0.00 C ATOM 71 C PRO A 9 -10.328 -10.433 8.177 1.00 0.00 C ATOM 72 O PRO A 9 -10.659 -10.395 9.362 1.00 0.00 O ATOM 73 CB PRO A 9 -11.652 -8.897 6.643 1.00 0.00 C ATOM 74 CG PRO A 9 -12.964 -8.505 7.302 1.00 0.00 C ATOM 75 CD PRO A 9 -13.628 -9.775 7.810 1.00 0.00 C ATOM 0 HA PRO A 9 -10.969 -10.908 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.845 -8.236 6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.722 -8.820 5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.786 -7.812 8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.612 -7.994 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.843 -9.710 8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.576 -9.956 7.304 1.00 0.00 H new ATOM 80 N LYS A 10 -9.079 -10.562 7.752 1.00 0.00 N ATOM 81 CA LYS A 10 -7.976 -10.672 8.689 1.00 0.00 C ATOM 82 C LYS A 10 -7.367 -9.287 8.919 1.00 0.00 C ATOM 83 O LYS A 10 -6.952 -8.623 7.971 1.00 0.00 O ATOM 84 CB LYS A 10 -6.967 -11.716 8.210 1.00 0.00 C ATOM 85 CG LYS A 10 -5.540 -11.161 8.257 1.00 0.00 C ATOM 86 CD LYS A 10 -4.520 -12.248 7.910 1.00 0.00 C ATOM 87 CE LYS A 10 -3.185 -11.987 8.612 1.00 0.00 C ATOM 88 NZ LYS A 10 -2.143 -12.908 8.102 1.00 0.00 N ATOM 0 H LYS A 10 -8.808 -10.593 6.769 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.332 -11.028 9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.036 -12.607 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.209 -12.021 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.445 -10.331 7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.332 -10.765 9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.907 -13.223 8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.368 -12.279 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.877 -10.954 8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.301 -12.119 9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.229 -12.674 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.399 -13.888 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.069 -12.810 7.069 1.00 0.00 H new ATOM 98 N THR A 11 -7.334 -8.893 10.184 1.00 0.00 N ATOM 99 CA THR A 11 -6.784 -7.598 10.549 1.00 0.00 C ATOM 100 C THR A 11 -5.477 -7.776 11.325 1.00 0.00 C ATOM 101 O THR A 11 -5.308 -8.756 12.049 1.00 0.00 O ATOM 102 CB THR A 11 -7.855 -6.831 11.328 1.00 0.00 C ATOM 103 OG1 THR A 11 -8.856 -6.549 10.355 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.374 -5.451 11.779 1.00 0.00 C ATOM 0 H THR A 11 -7.679 -9.447 10.968 1.00 0.00 H new ATOM 0 HA THR A 11 -6.525 -7.014 9.666 1.00 0.00 H new ATOM 0 HB THR A 11 -8.157 -7.413 12.199 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.590 -6.054 10.775 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.171 -4.949 12.327 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.504 -5.562 12.426 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.104 -4.857 10.906 1.00 0.00 H new ATOM 112 N VAL A 12 -4.586 -6.812 11.148 1.00 0.00 N ATOM 113 CA VAL A 12 -3.299 -6.848 11.822 1.00 0.00 C ATOM 114 C VAL A 12 -2.991 -5.465 12.400 1.00 0.00 C ATOM 115 O VAL A 12 -3.174 -4.452 11.726 1.00 0.00 O ATOM 116 CB VAL A 12 -2.219 -7.350 10.862 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.156 -8.877 10.857 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.445 -6.805 9.450 1.00 0.00 C ATOM 0 H VAL A 12 -4.730 -6.000 10.547 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.324 -7.550 12.656 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.257 -6.977 11.215 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.380 -9.207 10.166 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.925 -9.235 11.860 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.118 -9.280 10.541 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.664 -7.177 8.787 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.418 -7.134 9.084 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.415 -5.716 9.471 1.00 0.00 H new ATOM 128 N THR A 13 -2.529 -5.467 13.641 1.00 0.00 N ATOM 129 CA THR A 13 -2.194 -4.225 14.318 1.00 0.00 C ATOM 130 C THR A 13 -0.676 -4.073 14.432 1.00 0.00 C ATOM 131 O THR A 13 0.022 -5.026 14.774 1.00 0.00 O ATOM 132 CB THR A 13 -2.910 -4.214 15.669 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.182 -4.795 15.394 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.242 -2.798 16.144 1.00 0.00 C ATOM 0 H THR A 13 -2.378 -6.309 14.196 1.00 0.00 H new ATOM 0 HA THR A 13 -2.534 -3.360 13.748 1.00 0.00 H new ATOM 0 HB THR A 13 -2.287 -4.710 16.413 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.712 -4.828 16.218 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.749 -2.847 17.107 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.321 -2.224 16.248 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.892 -2.313 15.416 1.00 0.00 H new ATOM 142 N LEU A 14 -0.210 -2.867 14.140 1.00 0.00 N ATOM 143 CA LEU A 14 1.212 -2.579 14.207 1.00 0.00 C ATOM 144 C LEU A 14 1.452 -1.448 15.208 1.00 0.00 C ATOM 145 O LEU A 14 0.732 -0.450 15.209 1.00 0.00 O ATOM 146 CB LEU A 14 1.766 -2.291 12.810 1.00 0.00 C ATOM 147 CG LEU A 14 1.636 -3.424 11.790 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.277 -3.378 11.090 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.796 -3.401 10.792 1.00 0.00 C ATOM 0 H LEU A 14 -0.792 -2.079 13.857 1.00 0.00 H new ATOM 0 HA LEU A 14 1.760 -3.448 14.570 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.258 -1.412 12.414 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.821 -2.034 12.905 1.00 0.00 H new ATOM 0 HG LEU A 14 1.691 -4.372 12.325 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.211 -4.194 10.370 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.517 -3.481 11.830 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.167 -2.426 10.570 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.678 -4.217 10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.798 -2.450 10.259 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.738 -3.520 11.327 1.00 0.00 H new ATOM 160 N LYS A 15 2.468 -1.640 16.037 1.00 0.00 N ATOM 161 CA LYS A 15 2.813 -0.648 17.043 1.00 0.00 C ATOM 162 C LYS A 15 4.087 0.083 16.616 1.00 0.00 C ATOM 163 O LYS A 15 5.131 -0.539 16.436 1.00 0.00 O ATOM 164 CB LYS A 15 2.908 -1.297 18.425 1.00 0.00 C ATOM 165 CG LYS A 15 1.647 -2.103 18.743 1.00 0.00 C ATOM 166 CD LYS A 15 1.110 -1.756 20.132 1.00 0.00 C ATOM 167 CE LYS A 15 0.486 -2.983 20.800 1.00 0.00 C ATOM 168 NZ LYS A 15 0.062 -2.661 22.181 1.00 0.00 N ATOM 0 H LYS A 15 3.064 -2.468 16.033 1.00 0.00 H new ATOM 0 HA LYS A 15 2.027 0.103 17.124 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.780 -1.950 18.464 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.052 -0.527 19.183 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.883 -1.900 17.993 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.870 -3.169 18.691 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.919 -1.371 20.753 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.366 -0.964 20.051 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.372 -3.324 20.220 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.206 -3.802 20.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.359 -3.504 22.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.888 -2.358 22.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.641 -1.895 22.159 1.00 0.00 H new ATOM 178 N ARG A 16 3.956 1.393 16.467 1.00 0.00 N ATOM 179 CA ARG A 16 5.084 2.216 16.064 1.00 0.00 C ATOM 180 C ARG A 16 6.316 1.877 16.908 1.00 0.00 C ATOM 181 O ARG A 16 6.341 2.139 18.110 1.00 0.00 O ATOM 182 CB ARG A 16 4.764 3.703 16.218 1.00 0.00 C ATOM 183 CG ARG A 16 5.840 4.567 15.558 1.00 0.00 C ATOM 184 CD ARG A 16 5.221 5.547 14.559 1.00 0.00 C ATOM 185 NE ARG A 16 6.068 6.756 14.444 1.00 0.00 N ATOM 186 CZ ARG A 16 7.151 6.840 13.660 1.00 0.00 C ATOM 187 NH1 ARG A 16 7.526 5.789 12.918 1.00 0.00 N ATOM 188 NH2 ARG A 16 7.861 7.977 13.617 1.00 0.00 N ATOM 0 H ARG A 16 3.087 1.905 16.618 1.00 0.00 H new ATOM 0 HA ARG A 16 5.288 2.007 15.014 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.794 3.918 15.769 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.689 3.955 17.276 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.388 5.119 16.322 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.561 3.929 15.047 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.120 5.070 13.584 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.218 5.825 14.884 1.00 0.00 H new ATOM 0 HE ARG A 16 5.811 7.575 14.995 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.987 4.924 12.950 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.351 5.854 12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.576 8.778 14.181 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.686 8.041 13.020 1.00 0.00 H new ATOM 264 N GLY A 22 7.679 -2.867 10.777 1.00 0.00 N ATOM 265 CA GLY A 22 8.540 -3.897 10.222 1.00 0.00 C ATOM 266 C GLY A 22 7.936 -4.491 8.948 1.00 0.00 C ATOM 267 O GLY A 22 7.622 -5.678 8.900 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.521 -3.476 10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.691 -4.686 10.959 1.00 0.00 H new ATOM 271 N PHE A 23 7.792 -3.635 7.947 1.00 0.00 N ATOM 272 CA PHE A 23 7.231 -4.059 6.675 1.00 0.00 C ATOM 273 C PHE A 23 7.187 -2.898 5.679 1.00 0.00 C ATOM 274 O PHE A 23 7.243 -1.734 6.075 1.00 0.00 O ATOM 275 CB PHE A 23 5.801 -4.531 6.952 1.00 0.00 C ATOM 276 CG PHE A 23 4.758 -3.409 6.914 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.719 -2.485 7.910 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.873 -3.341 5.885 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.752 -1.446 7.876 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.905 -2.301 5.850 1.00 0.00 C ATOM 281 CZ PHE A 23 2.864 -1.376 6.847 1.00 0.00 C ATOM 0 H PHE A 23 8.054 -2.650 7.991 1.00 0.00 H new ATOM 0 HA PHE A 23 7.845 -4.849 6.243 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.531 -5.290 6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.770 -5.009 7.931 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.423 -2.541 8.727 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.905 -4.076 5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.721 -0.711 8.667 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.202 -2.245 5.032 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.127 -0.587 6.822 1.00 0.00 H new ATOM 290 N THR A 24 7.091 -3.255 4.408 1.00 0.00 N ATOM 291 CA THR A 24 7.040 -2.257 3.352 1.00 0.00 C ATOM 292 C THR A 24 6.033 -2.668 2.277 1.00 0.00 C ATOM 293 O THR A 24 5.663 -3.838 2.183 1.00 0.00 O ATOM 294 CB THR A 24 8.461 -2.067 2.814 1.00 0.00 C ATOM 295 OG1 THR A 24 8.427 -0.785 2.192 1.00 0.00 O ATOM 296 CG2 THR A 24 8.787 -3.028 1.669 1.00 0.00 C ATOM 0 H THR A 24 7.047 -4.221 4.084 1.00 0.00 H new ATOM 0 HA THR A 24 6.688 -1.297 3.731 1.00 0.00 H new ATOM 0 HB THR A 24 9.178 -2.210 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.309 -0.580 1.817 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.806 -2.851 1.324 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.696 -4.056 2.020 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.092 -2.862 0.846 1.00 0.00 H new ATOM 304 N LEU A 25 5.619 -1.684 1.492 1.00 0.00 N ATOM 305 CA LEU A 25 4.662 -1.929 0.427 1.00 0.00 C ATOM 306 C LEU A 25 5.364 -1.791 -0.925 1.00 0.00 C ATOM 307 O LEU A 25 6.550 -1.471 -0.984 1.00 0.00 O ATOM 308 CB LEU A 25 3.443 -1.018 0.583 1.00 0.00 C ATOM 309 CG LEU A 25 2.648 -1.176 1.881 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.674 -2.627 2.365 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.147 -0.204 2.952 1.00 0.00 C ATOM 0 H LEU A 25 5.929 -0.716 1.572 1.00 0.00 H new ATOM 0 HA LEU A 25 4.279 -2.948 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.776 0.017 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.770 -1.198 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 25 1.607 -0.923 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.102 -2.713 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.234 -3.272 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.705 -2.931 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.565 -0.337 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.199 -0.401 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.033 0.820 2.596 1.00 0.00 H new ATOM 322 N ARG A 26 4.601 -2.041 -1.980 1.00 0.00 N ATOM 323 CA ARG A 26 5.135 -1.950 -3.328 1.00 0.00 C ATOM 324 C ARG A 26 4.013 -2.108 -4.355 1.00 0.00 C ATOM 325 O ARG A 26 2.867 -2.369 -3.993 1.00 0.00 O ATOM 326 CB ARG A 26 6.198 -3.022 -3.574 1.00 0.00 C ATOM 327 CG ARG A 26 7.603 -2.470 -3.322 1.00 0.00 C ATOM 328 CD ARG A 26 8.549 -2.840 -4.466 1.00 0.00 C ATOM 329 NE ARG A 26 8.268 -1.996 -5.649 1.00 0.00 N ATOM 330 CZ ARG A 26 8.797 -0.781 -5.848 1.00 0.00 C ATOM 331 NH1 ARG A 26 9.637 -0.259 -4.943 1.00 0.00 N ATOM 332 NH2 ARG A 26 8.485 -0.086 -6.950 1.00 0.00 N ATOM 0 H ARG A 26 3.618 -2.306 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 26 5.595 -0.968 -3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.016 -3.876 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.124 -3.384 -4.600 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.559 -1.386 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.990 -2.865 -2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.584 -2.706 -4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.428 -3.892 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 26 7.632 -2.362 -6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.874 -0.787 -4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.040 0.666 -5.095 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.844 -0.482 -7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.888 0.839 -7.101 1.00 0.00 H new ATOM 862 N ILE A 63 -2.202 -2.776 -3.309 1.00 0.00 N ATOM 863 CA ILE A 63 -1.082 -2.716 -2.385 1.00 0.00 C ATOM 864 C ILE A 63 -0.634 -4.139 -2.041 1.00 0.00 C ATOM 865 O ILE A 63 -1.432 -5.072 -2.084 1.00 0.00 O ATOM 866 CB ILE A 63 -1.443 -1.873 -1.161 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.575 -0.395 -1.533 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.436 -2.092 -0.028 1.00 0.00 C ATOM 869 CD1 ILE A 63 -3.007 0.099 -1.320 1.00 0.00 C ATOM 0 HA ILE A 63 -0.231 -2.216 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.416 -2.201 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.888 0.198 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.288 -0.252 -2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.716 -1.481 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.435 -3.143 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.560 -1.808 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.073 1.152 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.688 -0.480 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.282 -0.023 -0.272 1.00 0.00 H new ATOM 880 N PHE A 64 0.644 -4.258 -1.709 1.00 0.00 N ATOM 881 CA PHE A 64 1.207 -5.549 -1.358 1.00 0.00 C ATOM 882 C PHE A 64 2.534 -5.384 -0.614 1.00 0.00 C ATOM 883 O PHE A 64 3.295 -4.459 -0.891 1.00 0.00 O ATOM 884 CB PHE A 64 1.463 -6.296 -2.669 1.00 0.00 C ATOM 885 CG PHE A 64 0.263 -6.315 -3.619 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.680 -7.287 -3.503 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.141 -5.358 -4.579 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.793 -7.305 -4.385 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.973 -5.376 -5.460 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.916 -6.349 -5.343 1.00 0.00 C ATOM 0 H PHE A 64 1.304 -3.481 -1.676 1.00 0.00 H new ATOM 0 HA PHE A 64 0.520 -6.090 -0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.309 -5.835 -3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.749 -7.323 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.583 -8.045 -2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.890 -4.586 -4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.541 -8.078 -4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.071 -4.617 -6.222 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.764 -6.362 -6.012 1.00 0.00 H new ATOM 899 N VAL A 65 2.769 -6.296 0.318 1.00 0.00 N ATOM 900 CA VAL A 65 3.989 -6.263 1.107 1.00 0.00 C ATOM 901 C VAL A 65 5.163 -6.727 0.241 1.00 0.00 C ATOM 902 O VAL A 65 5.019 -7.644 -0.565 1.00 0.00 O ATOM 903 CB VAL A 65 3.817 -7.099 2.376 1.00 0.00 C ATOM 904 CG1 VAL A 65 5.107 -7.127 3.196 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.644 -6.587 3.215 1.00 0.00 C ATOM 0 H VAL A 65 2.135 -7.062 0.545 1.00 0.00 H new ATOM 0 HA VAL A 65 4.205 -5.245 1.432 1.00 0.00 H new ATOM 0 HB VAL A 65 3.592 -8.122 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.955 -7.728 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.908 -7.562 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.378 -6.111 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.544 -7.199 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.826 -5.551 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.726 -6.646 2.631 1.00 0.00 H new ATOM 915 N LYS A 66 6.297 -6.072 0.439 1.00 0.00 N ATOM 916 CA LYS A 66 7.495 -6.406 -0.313 1.00 0.00 C ATOM 917 C LYS A 66 8.500 -7.093 0.613 1.00 0.00 C ATOM 918 O LYS A 66 9.280 -7.935 0.172 1.00 0.00 O ATOM 919 CB LYS A 66 8.052 -5.163 -1.011 1.00 0.00 C ATOM 920 CG LYS A 66 9.302 -5.506 -1.826 1.00 0.00 C ATOM 921 CD LYS A 66 10.540 -4.822 -1.245 1.00 0.00 C ATOM 922 CE LYS A 66 11.581 -4.554 -2.335 1.00 0.00 C ATOM 923 NZ LYS A 66 12.880 -5.161 -1.970 1.00 0.00 N ATOM 0 H LYS A 66 6.412 -5.312 1.109 1.00 0.00 H new ATOM 0 HA LYS A 66 7.260 -7.113 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.292 -4.738 -1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.295 -4.403 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.449 -6.586 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.162 -5.195 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.253 -3.883 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.976 -5.450 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.236 -4.963 -3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.701 -3.480 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.575 -4.970 -2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.215 -4.752 -1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.764 -6.189 -1.859 1.00 0.00 H new ATOM 933 N GLN A 67 8.446 -6.711 1.880 1.00 0.00 N ATOM 934 CA GLN A 67 9.341 -7.279 2.872 1.00 0.00 C ATOM 935 C GLN A 67 8.723 -7.174 4.268 1.00 0.00 C ATOM 936 O GLN A 67 7.616 -6.660 4.424 1.00 0.00 O ATOM 937 CB GLN A 67 10.713 -6.601 2.827 1.00 0.00 C ATOM 938 CG GLN A 67 10.581 -5.124 2.449 1.00 0.00 C ATOM 939 CD GLN A 67 11.944 -4.430 2.471 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.970 -5.007 2.151 1.00 0.00 O ATOM 941 NE2 GLN A 67 11.898 -3.161 2.864 1.00 0.00 N ATOM 0 H GLN A 67 7.795 -6.014 2.242 1.00 0.00 H new ATOM 0 HA GLN A 67 9.486 -8.334 2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.199 -6.690 3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.351 -7.110 2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.140 -5.037 1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.904 -4.626 3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.005 -2.738 3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.755 -2.610 2.911 1.00 0.00 H new ATOM 948 N VAL A 68 9.465 -7.668 5.249 1.00 0.00 N ATOM 949 CA VAL A 68 9.003 -7.635 6.626 1.00 0.00 C ATOM 950 C VAL A 68 10.200 -7.804 7.565 1.00 0.00 C ATOM 951 O VAL A 68 10.973 -8.750 7.426 1.00 0.00 O ATOM 952 CB VAL A 68 7.920 -8.695 6.840 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.689 -8.948 8.331 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.618 -8.297 6.143 1.00 0.00 C ATOM 0 H VAL A 68 10.383 -8.093 5.117 1.00 0.00 H new ATOM 0 HA VAL A 68 8.545 -6.672 6.853 1.00 0.00 H new ATOM 0 HB VAL A 68 8.268 -9.626 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.915 -9.705 8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.615 -9.297 8.789 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.372 -8.023 8.812 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.865 -9.067 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.264 -7.349 6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.796 -8.191 5.073 1.00 0.00 H new ATOM 964 N LYS A 69 10.314 -6.870 8.499 1.00 0.00 N ATOM 965 CA LYS A 69 11.404 -6.905 9.460 1.00 0.00 C ATOM 966 C LYS A 69 11.196 -8.079 10.419 1.00 0.00 C ATOM 967 O LYS A 69 10.248 -8.083 11.203 1.00 0.00 O ATOM 968 CB LYS A 69 11.540 -5.552 10.163 1.00 0.00 C ATOM 969 CG LYS A 69 12.403 -5.674 11.421 1.00 0.00 C ATOM 970 CD LYS A 69 13.892 -5.628 11.070 1.00 0.00 C ATOM 971 CE LYS A 69 14.753 -5.698 12.333 1.00 0.00 C ATOM 972 NZ LYS A 69 15.895 -6.618 12.129 1.00 0.00 N ATOM 0 H LYS A 69 9.671 -6.086 8.610 1.00 0.00 H new ATOM 0 HA LYS A 69 12.354 -7.073 8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.984 -4.827 9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.552 -5.175 10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.163 -4.865 12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.175 -6.608 11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.140 -6.459 10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.113 -4.710 10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.120 -4.703 12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.149 -6.039 13.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.470 -6.655 12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.539 -7.570 11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.479 -6.276 11.340 1.00 0.00 H new ATOM 982 N GLU A 70 12.097 -9.046 10.326 1.00 0.00 N ATOM 983 CA GLU A 70 12.023 -10.222 11.174 1.00 0.00 C ATOM 984 C GLU A 70 12.237 -9.834 12.638 1.00 0.00 C ATOM 985 O GLU A 70 13.373 -9.664 13.081 1.00 0.00 O ATOM 986 CB GLU A 70 13.037 -11.280 10.733 1.00 0.00 C ATOM 987 CG GLU A 70 12.428 -12.682 10.796 1.00 0.00 C ATOM 988 CD GLU A 70 13.448 -13.701 11.308 1.00 0.00 C ATOM 989 OE1 GLU A 70 14.387 -14.001 10.540 1.00 0.00 O ATOM 990 OE2 GLU A 70 13.267 -14.156 12.459 1.00 0.00 O ATOM 0 H GLU A 70 12.883 -9.038 9.675 1.00 0.00 H new ATOM 0 HA GLU A 70 11.028 -10.656 11.075 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.369 -11.069 9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.918 -11.233 11.373 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.556 -12.675 11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.081 -12.976 9.806 1.00 0.00 H new ATOM 995 N GLY A 71 11.128 -9.701 13.351 1.00 0.00 N ATOM 996 CA GLY A 71 11.180 -9.336 14.757 1.00 0.00 C ATOM 997 C GLY A 71 10.571 -7.952 14.985 1.00 0.00 C ATOM 998 O GLY A 71 10.908 -7.273 15.955 1.00 0.00 O ATOM 0 H GLY A 71 10.188 -9.840 12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.642 -10.076 15.349 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.214 -9.344 15.101 1.00 0.00 H new ATOM 1002 N GLY A 72 9.682 -7.575 14.078 1.00 0.00 N ATOM 1003 CA GLY A 72 9.022 -6.283 14.170 1.00 0.00 C ATOM 1004 C GLY A 72 7.535 -6.448 14.489 1.00 0.00 C ATOM 1005 O GLY A 72 7.114 -7.496 14.976 1.00 0.00 O ATOM 0 H GLY A 72 9.403 -8.141 13.276 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.499 -5.681 14.944 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.138 -5.744 13.230 1.00 0.00 H new ATOM 1009 N PRO A 73 6.760 -5.371 14.190 1.00 0.00 N ATOM 1010 CA PRO A 73 5.328 -5.388 14.440 1.00 0.00 C ATOM 1011 C PRO A 73 4.600 -6.241 13.401 1.00 0.00 C ATOM 1012 O PRO A 73 4.024 -7.276 13.735 1.00 0.00 O ATOM 1013 CB PRO A 73 4.907 -3.927 14.408 1.00 0.00 C ATOM 1014 CG PRO A 73 6.022 -3.187 13.687 1.00 0.00 C ATOM 1015 CD PRO A 73 7.224 -4.115 13.611 1.00 0.00 C ATOM 0 HA PRO A 73 5.073 -5.843 15.397 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.957 -3.806 13.887 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.769 -3.538 15.417 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.702 -2.894 12.687 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.279 -2.272 14.220 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.554 -4.252 12.581 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.071 -3.712 14.166 1.00 0.00 H new ATOM 1020 N ALA A 74 4.650 -5.779 12.160 1.00 0.00 N ATOM 1021 CA ALA A 74 4.002 -6.488 11.070 1.00 0.00 C ATOM 1022 C ALA A 74 4.263 -7.988 11.216 1.00 0.00 C ATOM 1023 O ALA A 74 3.349 -8.798 11.067 1.00 0.00 O ATOM 1024 CB ALA A 74 4.504 -5.936 9.734 1.00 0.00 C ATOM 0 H ALA A 74 5.130 -4.922 11.885 1.00 0.00 H new ATOM 0 HA ALA A 74 2.923 -6.337 11.101 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.019 -6.467 8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.268 -4.874 9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.583 -6.073 9.666 1.00 0.00 H new ATOM 1030 N PHE A 75 5.513 -8.313 11.509 1.00 0.00 N ATOM 1031 CA PHE A 75 5.905 -9.702 11.678 1.00 0.00 C ATOM 1032 C PHE A 75 5.052 -10.386 12.746 1.00 0.00 C ATOM 1033 O PHE A 75 4.430 -11.416 12.486 1.00 0.00 O ATOM 1034 CB PHE A 75 7.367 -9.703 12.130 1.00 0.00 C ATOM 1035 CG PHE A 75 7.790 -10.976 12.867 1.00 0.00 C ATOM 1036 CD1 PHE A 75 7.622 -12.190 12.277 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.332 -10.893 14.111 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.015 -13.370 12.962 1.00 0.00 C ATOM 1039 CE2 PHE A 75 8.724 -12.074 14.794 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.557 -13.288 14.205 1.00 0.00 C ATOM 0 H PHE A 75 6.268 -7.639 11.634 1.00 0.00 H new ATOM 0 HA PHE A 75 5.769 -10.243 10.742 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.006 -9.571 11.257 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.536 -8.845 12.781 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.190 -12.256 11.289 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.464 -9.929 14.579 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.883 -14.334 12.494 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.155 -12.008 15.782 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.855 -14.186 14.725 1.00 0.00 H new ATOM 1049 N GLU A 76 5.048 -9.788 13.928 1.00 0.00 N ATOM 1050 CA GLU A 76 4.281 -10.326 15.039 1.00 0.00 C ATOM 1051 C GLU A 76 2.785 -10.300 14.713 1.00 0.00 C ATOM 1052 O GLU A 76 2.082 -11.286 14.928 1.00 0.00 O ATOM 1053 CB GLU A 76 4.574 -9.561 16.331 1.00 0.00 C ATOM 1054 CG GLU A 76 6.080 -9.479 16.588 1.00 0.00 C ATOM 1055 CD GLU A 76 6.484 -10.360 17.771 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.307 -11.592 17.648 1.00 0.00 O ATOM 1057 OE2 GLU A 76 6.961 -9.784 18.773 1.00 0.00 O ATOM 0 H GLU A 76 5.565 -8.935 14.141 1.00 0.00 H new ATOM 0 HA GLU A 76 4.582 -11.362 15.194 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.157 -8.556 16.266 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.084 -10.055 17.170 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.622 -9.792 15.696 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.363 -8.445 16.787 1.00 0.00 H new ATOM 1062 N ALA A 77 2.346 -9.161 14.200 1.00 0.00 N ATOM 1063 CA ALA A 77 0.946 -8.992 13.844 1.00 0.00 C ATOM 1064 C ALA A 77 0.486 -10.198 13.020 1.00 0.00 C ATOM 1065 O ALA A 77 -0.703 -10.510 12.983 1.00 0.00 O ATOM 1066 CB ALA A 77 0.765 -7.671 13.093 1.00 0.00 C ATOM 0 H ALA A 77 2.933 -8.346 14.022 1.00 0.00 H new ATOM 0 HA ALA A 77 0.325 -8.946 14.739 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.284 -7.545 12.826 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.080 -6.844 13.730 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.371 -7.682 12.187 1.00 0.00 H new ATOM 1072 N GLY A 78 1.452 -10.842 12.381 1.00 0.00 N ATOM 1073 CA GLY A 78 1.161 -12.005 11.561 1.00 0.00 C ATOM 1074 C GLY A 78 1.258 -11.664 10.073 1.00 0.00 C ATOM 1075 O GLY A 78 0.866 -12.463 9.223 1.00 0.00 O ATOM 0 H GLY A 78 2.437 -10.580 12.415 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.859 -12.807 11.800 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.161 -12.374 11.789 1.00 0.00 H new ATOM 1079 N LEU A 79 1.784 -10.480 9.803 1.00 0.00 N ATOM 1080 CA LEU A 79 1.938 -10.023 8.430 1.00 0.00 C ATOM 1081 C LEU A 79 3.124 -10.747 7.789 1.00 0.00 C ATOM 1082 O LEU A 79 3.883 -11.431 8.473 1.00 0.00 O ATOM 1083 CB LEU A 79 2.048 -8.499 8.383 1.00 0.00 C ATOM 1084 CG LEU A 79 1.445 -7.822 7.151 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.001 -7.388 7.414 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.317 -6.655 6.681 1.00 0.00 C ATOM 0 H LEU A 79 2.110 -9.821 10.511 1.00 0.00 H new ATOM 0 HA LEU A 79 1.055 -10.273 7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.564 -8.092 9.271 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.102 -8.228 8.443 1.00 0.00 H new ATOM 0 HG LEU A 79 1.420 -8.551 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.403 -6.910 6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.602 -8.261 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.021 -6.683 8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.864 -6.193 5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.398 -5.917 7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.310 -7.023 6.425 1.00 0.00 H new ATOM 1097 N CYS A 80 3.245 -10.570 6.481 1.00 0.00 N ATOM 1098 CA CYS A 80 4.326 -11.196 5.739 1.00 0.00 C ATOM 1099 C CYS A 80 4.428 -10.516 4.373 1.00 0.00 C ATOM 1100 O CYS A 80 3.961 -9.391 4.200 1.00 0.00 O ATOM 1101 CB CYS A 80 4.122 -12.708 5.610 1.00 0.00 C ATOM 1102 SG CYS A 80 5.643 -13.590 6.115 1.00 0.00 S ATOM 0 H CYS A 80 2.613 -10.002 5.917 1.00 0.00 H new ATOM 0 HA CYS A 80 5.264 -11.066 6.279 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.285 -13.025 6.232 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.869 -12.963 4.581 1.00 0.00 H new ATOM 0 HG CYS A 80 5.458 -14.872 6.004 1.00 0.00 H new ATOM 1107 N THR A 81 5.040 -11.228 3.438 1.00 0.00 N ATOM 1108 CA THR A 81 5.211 -10.705 2.092 1.00 0.00 C ATOM 1109 C THR A 81 4.217 -11.367 1.135 1.00 0.00 C ATOM 1110 O THR A 81 3.798 -12.502 1.357 1.00 0.00 O ATOM 1111 CB THR A 81 6.672 -10.908 1.687 1.00 0.00 C ATOM 1112 OG1 THR A 81 7.343 -9.776 2.234 1.00 0.00 O ATOM 1113 CG2 THR A 81 6.885 -10.773 0.178 1.00 0.00 C ATOM 0 H THR A 81 5.423 -12.162 3.585 1.00 0.00 H new ATOM 0 HA THR A 81 4.994 -9.638 2.051 1.00 0.00 H new ATOM 0 HB THR A 81 7.007 -11.892 2.014 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.127 -10.074 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.939 -10.926 -0.056 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.286 -11.520 -0.342 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.583 -9.777 -0.144 1.00 0.00 H new ATOM 1121 N GLY A 82 3.869 -10.630 0.091 1.00 0.00 N ATOM 1122 CA GLY A 82 2.932 -11.130 -0.901 1.00 0.00 C ATOM 1123 C GLY A 82 1.488 -10.843 -0.486 1.00 0.00 C ATOM 1124 O GLY A 82 0.593 -10.808 -1.329 1.00 0.00 O ATOM 0 H GLY A 82 4.219 -9.689 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.136 -10.665 -1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.071 -12.204 -1.029 1.00 0.00 H new ATOM 1128 N ASP A 83 1.307 -10.643 0.810 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.013 -10.359 1.347 1.00 0.00 C ATOM 1130 C ASP A 83 -0.524 -9.041 0.759 1.00 0.00 C ATOM 1131 O ASP A 83 0.220 -8.065 0.673 1.00 0.00 O ATOM 1132 CB ASP A 83 0.031 -10.210 2.869 1.00 0.00 C ATOM 1133 CG ASP A 83 0.373 -11.492 3.633 1.00 0.00 C ATOM 1134 OD1 ASP A 83 0.809 -12.452 2.963 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.189 -11.480 4.870 1.00 0.00 O ATOM 0 H ASP A 83 2.053 -10.672 1.505 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.669 -11.189 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.765 -9.446 3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.938 -9.848 3.212 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.791 -9.056 0.370 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.412 -7.875 -0.207 1.00 0.00 C ATOM 1141 C ARG A 84 -3.157 -7.087 0.872 1.00 0.00 C ATOM 1142 O ARG A 84 -3.662 -7.665 1.833 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.390 -8.256 -1.319 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.707 -8.774 -0.738 1.00 0.00 C ATOM 1145 CD ARG A 84 -5.669 -9.198 -1.851 1.00 0.00 C ATOM 1146 NE ARG A 84 -7.065 -9.111 -1.371 1.00 0.00 N ATOM 1147 CZ ARG A 84 -8.135 -9.076 -2.178 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -7.974 -9.119 -3.507 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -9.367 -8.996 -1.656 1.00 0.00 N ATOM 0 H ARG A 84 -2.405 -9.868 0.443 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.621 -7.257 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.583 -7.389 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.943 -9.020 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.510 -9.621 -0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.170 -7.998 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.535 -8.558 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.447 -10.217 -2.167 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.224 -9.075 -0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.037 -9.178 -3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.788 -9.092 -4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.491 -8.962 -0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.181 -8.969 -2.271 1.00 0.00 H new ATOM 1160 N ILE A 85 -3.204 -5.777 0.677 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.879 -4.903 1.620 1.00 0.00 C ATOM 1162 C ILE A 85 -5.314 -4.661 1.148 1.00 0.00 C ATOM 1163 O ILE A 85 -5.536 -4.259 0.006 1.00 0.00 O ATOM 1164 CB ILE A 85 -3.076 -3.618 1.829 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.635 -3.933 2.236 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.767 -2.697 2.836 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.597 -4.865 3.448 1.00 0.00 C ATOM 0 H ILE A 85 -2.785 -5.300 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.941 -5.376 2.600 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.034 -3.083 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.111 -4.396 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.109 -3.007 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.175 -1.791 2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.758 -2.433 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.861 -3.210 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.561 -5.072 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.101 -4.389 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.103 -5.799 3.204 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.250 -4.915 2.050 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.658 -4.730 1.738 1.00 0.00 C ATOM 1180 C ILE A 86 -8.200 -3.544 2.539 1.00 0.00 C ATOM 1181 O ILE A 86 -9.004 -2.763 2.030 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.432 -6.030 1.966 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.066 -6.659 3.311 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -8.224 -7.002 0.803 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.218 -7.510 3.851 1.00 0.00 C ATOM 0 H ILE A 86 -6.062 -5.247 2.996 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.787 -4.490 0.683 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.495 -5.792 2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.175 -7.277 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.821 -5.876 4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.785 -7.918 0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.575 -6.544 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.164 -7.238 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.931 -7.945 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.100 -6.884 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.444 -8.307 3.143 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.740 -3.445 3.776 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.169 -2.368 4.652 1.00 0.00 C ATOM 1198 C LYS A 87 -7.010 -1.970 5.569 1.00 0.00 C ATOM 1199 O LYS A 87 -6.038 -2.712 5.704 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.440 -2.762 5.403 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.594 -3.017 4.432 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.503 -4.419 3.826 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.602 -5.328 4.379 1.00 0.00 C ATOM 1204 NZ LYS A 87 -11.850 -5.033 5.807 1.00 0.00 N ATOM 0 H LYS A 87 -7.073 -4.094 4.194 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.433 -1.485 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.254 -3.658 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.715 -1.970 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.544 -2.904 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.576 -2.272 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.590 -4.356 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.526 -4.850 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.520 -5.187 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.311 -6.372 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.326 -5.844 6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.945 -4.857 6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.454 -4.190 5.888 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.153 -0.801 6.176 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.131 -0.297 7.077 1.00 0.00 C ATOM 1216 C VAL A 88 -6.659 -0.332 8.512 1.00 0.00 C ATOM 1217 O VAL A 88 -6.924 -1.405 9.054 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.689 1.102 6.637 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.554 1.620 7.520 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -5.285 1.109 5.162 1.00 0.00 C ATOM 0 H VAL A 88 -7.961 -0.189 6.062 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.245 -0.931 7.041 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.538 1.776 6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.259 2.615 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.892 1.670 8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.701 0.945 7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.975 2.114 4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.458 0.416 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.134 0.802 4.551 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.798 0.853 9.088 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.290 0.971 10.450 1.00 0.00 C ATOM 1232 C ASN A 89 -8.737 1.468 10.424 1.00 0.00 C ATOM 1233 O ASN A 89 -9.068 2.460 11.070 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.460 1.976 11.251 1.00 0.00 C ATOM 1235 CG ASN A 89 -6.097 3.192 10.396 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -6.867 3.657 9.572 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.884 3.681 10.637 1.00 0.00 N ATOM 0 H ASN A 89 -6.578 1.741 8.636 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.220 -0.010 10.919 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.020 2.298 12.129 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.550 1.496 11.612 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.549 4.493 10.118 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.289 3.244 11.341 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.560 0.754 9.669 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.963 1.110 9.550 1.00 0.00 C ATOM 1245 C GLY A 90 -11.176 2.137 8.436 1.00 0.00 C ATOM 1246 O GLY A 90 -12.035 3.011 8.549 1.00 0.00 O ATOM 0 H GLY A 90 -9.282 -0.069 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.552 0.217 9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.320 1.516 10.496 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.380 1.998 7.387 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.470 2.903 6.254 1.00 0.00 C ATOM 1252 C GLU A 91 -10.429 2.116 4.942 1.00 0.00 C ATOM 1253 O GLU A 91 -9.381 1.606 4.552 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.356 3.951 6.299 1.00 0.00 C ATOM 1255 CG GLU A 91 -9.927 5.347 6.555 1.00 0.00 C ATOM 1256 CD GLU A 91 -10.721 5.846 5.344 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.847 5.337 5.155 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -10.183 6.724 4.636 1.00 0.00 O ATOM 0 H GLU A 91 -9.669 1.272 7.297 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.422 3.430 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.643 3.696 7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.808 3.945 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.572 5.324 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.116 6.041 6.773 1.00 0.00 H new ATOM 1263 N SER A 92 -11.586 2.041 4.298 1.00 0.00 N ATOM 1264 CA SER A 92 -11.696 1.325 3.039 1.00 0.00 C ATOM 1265 C SER A 92 -10.737 1.927 2.009 1.00 0.00 C ATOM 1266 O SER A 92 -10.849 3.102 1.663 1.00 0.00 O ATOM 1267 CB SER A 92 -13.130 1.357 2.510 1.00 0.00 C ATOM 1268 OG SER A 92 -14.034 0.679 3.377 1.00 0.00 O ATOM 0 H SER A 92 -12.454 2.464 4.625 1.00 0.00 H new ATOM 0 HA SER A 92 -11.425 0.284 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.449 2.392 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.162 0.898 1.522 1.00 0.00 H new ATOM 0 HG SER A 92 -14.940 0.723 3.005 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.814 1.095 1.547 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.837 1.529 0.565 1.00 0.00 C ATOM 1275 C VAL A 93 -9.450 1.432 -0.834 1.00 0.00 C ATOM 1276 O VAL A 93 -8.862 0.829 -1.731 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.549 0.717 0.713 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.040 0.754 2.155 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.752 -0.724 0.239 1.00 0.00 C ATOM 0 H VAL A 93 -9.723 0.121 1.836 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.567 2.572 0.729 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.790 1.174 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.124 0.169 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.837 1.786 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.796 0.334 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.821 -1.280 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.533 -1.196 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.046 -0.724 -0.811 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.620 2.035 -0.976 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.318 2.023 -2.251 1.00 0.00 C ATOM 1291 C ILE A 94 -11.137 3.378 -2.939 1.00 0.00 C ATOM 1292 O ILE A 94 -11.531 4.410 -2.400 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.782 1.623 -2.057 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.892 0.286 -1.322 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.527 1.605 -3.393 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.641 -0.885 -2.274 1.00 0.00 C ATOM 0 H ILE A 94 -11.103 2.535 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.891 1.269 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.262 2.375 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.171 0.256 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.883 0.192 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.565 1.318 -3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.493 2.598 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.055 0.887 -4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -12.725 -1.824 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -13.378 -0.866 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.641 -0.801 -2.698 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.538 3.331 -4.121 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.300 4.540 -4.888 1.00 0.00 C ATOM 1309 C GLY A 95 -9.103 5.315 -4.333 1.00 0.00 C ATOM 1310 O GLY A 95 -9.219 6.496 -4.010 1.00 0.00 O ATOM 0 H GLY A 95 -10.211 2.473 -4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.119 4.283 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.189 5.171 -4.864 1.00 0.00 H new ATOM 1314 N LYS A 96 -7.981 4.618 -4.240 1.00 0.00 N ATOM 1315 CA LYS A 96 -6.761 5.225 -3.730 1.00 0.00 C ATOM 1316 C LYS A 96 -5.615 4.955 -4.706 1.00 0.00 C ATOM 1317 O LYS A 96 -5.737 4.114 -5.595 1.00 0.00 O ATOM 1318 CB LYS A 96 -6.481 4.746 -2.304 1.00 0.00 C ATOM 1319 CG LYS A 96 -7.492 5.334 -1.319 1.00 0.00 C ATOM 1320 CD LYS A 96 -7.251 4.805 0.097 1.00 0.00 C ATOM 1321 CE LYS A 96 -8.413 5.166 1.024 1.00 0.00 C ATOM 1322 NZ LYS A 96 -9.709 4.895 0.361 1.00 0.00 N ATOM 0 H LYS A 96 -7.890 3.638 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.873 6.307 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.523 3.657 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.472 5.036 -2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.418 6.421 -1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.504 5.083 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.127 3.722 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.324 5.221 0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.342 4.590 1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.352 6.219 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.378 4.502 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.092 5.781 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.568 4.212 -0.410 1.00 0.00 H new ATOM 1332 N THR A 97 -4.528 5.686 -4.508 1.00 0.00 N ATOM 1333 CA THR A 97 -3.361 5.538 -5.361 1.00 0.00 C ATOM 1334 C THR A 97 -2.089 5.462 -4.514 1.00 0.00 C ATOM 1335 O THR A 97 -1.121 6.175 -4.775 1.00 0.00 O ATOM 1336 CB THR A 97 -3.357 6.693 -6.363 1.00 0.00 C ATOM 1337 OG1 THR A 97 -2.475 6.256 -7.394 1.00 0.00 O ATOM 1338 CG2 THR A 97 -2.683 7.949 -5.804 1.00 0.00 C ATOM 0 H THR A 97 -4.431 6.383 -3.769 1.00 0.00 H new ATOM 0 HA THR A 97 -3.397 4.604 -5.922 1.00 0.00 H new ATOM 0 HB THR A 97 -4.382 6.927 -6.651 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.415 6.946 -8.087 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.707 8.739 -6.554 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.214 8.280 -4.911 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.648 7.723 -5.548 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.131 4.591 -3.516 1.00 0.00 N ATOM 1347 CA TYR A 98 -0.993 4.413 -2.628 1.00 0.00 C ATOM 1348 C TYR A 98 -0.764 5.662 -1.774 1.00 0.00 C ATOM 1349 O TYR A 98 -0.849 5.602 -0.548 1.00 0.00 O ATOM 1350 CB TYR A 98 0.220 4.203 -3.536 1.00 0.00 C ATOM 1351 CG TYR A 98 1.379 3.467 -2.863 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.158 2.258 -2.235 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.647 4.011 -2.882 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.250 1.564 -1.602 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.739 3.319 -2.249 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.487 2.129 -1.640 1.00 0.00 C ATOM 1357 OH TYR A 98 4.519 1.475 -1.042 1.00 0.00 O ATOM 0 H TYR A 98 -2.935 4.001 -3.302 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.161 3.575 -1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.091 3.642 -4.417 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.573 5.174 -3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.166 1.832 -2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.820 4.957 -3.373 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.090 0.617 -1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.736 3.735 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 98 5.342 1.996 -1.149 1.00 0.00 H new ATOM 1366 N SER A 99 -0.482 6.762 -2.453 1.00 0.00 N ATOM 1367 CA SER A 99 -0.241 8.022 -1.772 1.00 0.00 C ATOM 1368 C SER A 99 -1.336 8.274 -0.732 1.00 0.00 C ATOM 1369 O SER A 99 -1.089 8.904 0.294 1.00 0.00 O ATOM 1370 CB SER A 99 -0.177 9.183 -2.766 1.00 0.00 C ATOM 1371 OG SER A 99 0.890 10.082 -2.470 1.00 0.00 O ATOM 0 H SER A 99 -0.415 6.808 -3.470 1.00 0.00 H new ATOM 0 HA SER A 99 0.723 7.958 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.050 8.790 -3.775 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.122 9.725 -2.751 1.00 0.00 H new ATOM 0 HG SER A 99 0.898 10.808 -3.128 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.522 7.767 -1.036 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.655 7.928 -0.141 1.00 0.00 C ATOM 1378 C GLN A 100 -3.526 6.982 1.054 1.00 0.00 C ATOM 1379 O GLN A 100 -3.387 7.430 2.193 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.975 7.699 -0.881 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.582 9.026 -1.344 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.888 9.318 -0.604 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -6.994 9.171 0.603 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.872 9.741 -1.391 1.00 0.00 N ATOM 0 H GLN A 100 -2.723 7.245 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.657 8.953 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.806 7.052 -1.742 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.678 7.182 -0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.872 9.835 -1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.768 8.990 -2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.715 9.842 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.784 9.965 -0.992 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.575 5.691 0.756 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.466 4.680 1.794 1.00 0.00 C ATOM 1393 C VAL A 101 -2.205 4.939 2.622 1.00 0.00 C ATOM 1394 O VAL A 101 -2.223 4.802 3.844 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.492 3.284 1.166 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.901 2.926 0.686 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.479 3.176 0.025 1.00 0.00 C ATOM 0 H VAL A 101 -3.689 5.323 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.317 4.735 2.473 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.207 2.565 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.893 1.930 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.588 2.942 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.226 3.651 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.519 2.174 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.719 3.909 -0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.477 3.367 0.409 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.142 5.310 1.923 1.00 0.00 N ATOM 1408 CA ILE A 102 0.123 5.589 2.578 1.00 0.00 C ATOM 1409 C ILE A 102 -0.123 6.486 3.793 1.00 0.00 C ATOM 1410 O ILE A 102 0.353 6.197 4.890 1.00 0.00 O ATOM 1411 CB ILE A 102 1.128 6.168 1.581 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.694 5.074 0.675 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.231 6.944 2.302 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.630 4.147 1.453 1.00 0.00 C ATOM 0 H ILE A 102 -1.132 5.424 0.909 1.00 0.00 H new ATOM 0 HA ILE A 102 0.571 4.666 2.947 1.00 0.00 H new ATOM 0 HB ILE A 102 0.603 6.876 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.877 4.494 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.234 5.528 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.932 7.345 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.789 7.764 2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.760 6.277 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.018 3.378 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.459 4.726 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.081 3.676 2.268 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.868 7.556 3.557 1.00 0.00 N ATOM 1426 CA ALA A 103 -1.184 8.498 4.619 1.00 0.00 C ATOM 1427 C ALA A 103 -1.844 7.749 5.778 1.00 0.00 C ATOM 1428 O ALA A 103 -1.520 7.986 6.940 1.00 0.00 O ATOM 1429 CB ALA A 103 -2.070 9.614 4.064 1.00 0.00 C ATOM 0 H ALA A 103 -1.262 7.792 2.646 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.276 8.964 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.307 10.320 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.543 10.133 3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.993 9.185 3.673 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.762 6.862 5.420 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.472 6.079 6.416 1.00 0.00 C ATOM 1437 C LEU A 104 -2.460 5.377 7.324 1.00 0.00 C ATOM 1438 O LEU A 104 -2.688 5.241 8.525 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.457 5.122 5.742 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.470 5.763 4.790 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.540 4.755 4.368 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -6.081 7.023 5.406 1.00 0.00 C ATOM 0 H LEU A 104 -3.030 6.669 4.455 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.075 6.728 7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.887 4.377 5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.005 4.589 6.519 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.942 6.070 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.247 5.236 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.068 3.914 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.069 4.395 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.797 7.458 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.590 6.764 6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.292 7.746 5.614 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.362 4.954 6.717 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.313 4.271 7.456 1.00 0.00 C ATOM 1455 C ILE A 105 0.455 5.289 8.300 1.00 0.00 C ATOM 1456 O ILE A 105 0.914 4.971 9.397 1.00 0.00 O ATOM 1457 CB ILE A 105 0.574 3.466 6.505 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.183 2.268 5.929 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.874 3.042 7.195 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.190 2.036 4.463 1.00 0.00 C ATOM 0 H ILE A 105 -1.175 5.071 5.721 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.743 3.545 8.146 1.00 0.00 H new ATOM 0 HB ILE A 105 0.846 4.108 5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.045 1.375 6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.257 2.438 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.487 2.471 6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.421 3.928 7.517 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.641 2.424 8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.362 1.179 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.062 2.921 3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.260 1.843 4.386 1.00 0.00 H new ATOM 1471 N GLN A 106 0.571 6.492 7.759 1.00 0.00 N ATOM 1472 CA GLN A 106 1.277 7.559 8.449 1.00 0.00 C ATOM 1473 C GLN A 106 0.367 8.203 9.498 1.00 0.00 C ATOM 1474 O GLN A 106 0.843 8.902 10.392 1.00 0.00 O ATOM 1475 CB GLN A 106 1.797 8.602 7.459 1.00 0.00 C ATOM 1476 CG GLN A 106 2.893 8.015 6.568 1.00 0.00 C ATOM 1477 CD GLN A 106 4.181 8.836 6.669 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.604 9.246 7.738 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.778 9.051 5.501 1.00 0.00 N ATOM 0 H GLN A 106 0.188 6.752 6.850 1.00 0.00 H new ATOM 0 HA GLN A 106 2.140 7.129 8.958 1.00 0.00 H new ATOM 0 HB2 GLN A 106 0.975 8.963 6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.188 9.462 8.003 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.091 6.984 6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.552 7.993 5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.370 8.679 4.643 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.644 9.588 5.462 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.924 7.947 9.353 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.904 8.493 10.277 1.00 0.00 C ATOM 1488 C ASN A 107 -1.911 7.657 11.560 1.00 0.00 C ATOM 1489 O ASN A 107 -2.458 8.080 12.577 1.00 0.00 O ATOM 1490 CB ASN A 107 -3.311 8.450 9.677 1.00 0.00 C ATOM 1491 CG ASN A 107 -3.774 9.849 9.266 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -4.116 10.684 10.089 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -3.766 10.058 7.954 1.00 0.00 N ATOM 0 H ASN A 107 -1.315 7.369 8.609 1.00 0.00 H new ATOM 0 HA ASN A 107 -1.632 9.528 10.484 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.320 7.790 8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -4.007 8.031 10.403 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -4.058 10.961 7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.468 9.316 7.321 1.00 0.00 H new ATOM 1499 N SER A 108 -1.297 6.487 11.469 1.00 0.00 N ATOM 1500 CA SER A 108 -1.226 5.589 12.608 1.00 0.00 C ATOM 1501 C SER A 108 -0.751 6.351 13.847 1.00 0.00 C ATOM 1502 O SER A 108 -1.444 6.387 14.862 1.00 0.00 O ATOM 1503 CB SER A 108 -0.294 4.409 12.322 1.00 0.00 C ATOM 1504 OG SER A 108 0.886 4.455 13.118 1.00 0.00 O ATOM 0 H SER A 108 -0.844 6.140 10.624 1.00 0.00 H new ATOM 0 HA SER A 108 -2.224 5.193 12.793 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.823 3.475 12.512 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.020 4.411 11.267 1.00 0.00 H new ATOM 0 HG SER A 108 0.718 4.015 13.977 1.00 0.00 H new ATOM 1509 N ASP A 109 0.429 6.943 13.722 1.00 0.00 N ATOM 1510 CA ASP A 109 1.004 7.702 14.819 1.00 0.00 C ATOM 1511 C ASP A 109 1.438 6.741 15.927 1.00 0.00 C ATOM 1512 O ASP A 109 2.632 6.556 16.161 1.00 0.00 O ATOM 1513 CB ASP A 109 -0.018 8.676 15.411 1.00 0.00 C ATOM 1514 CG ASP A 109 0.575 9.778 16.292 1.00 0.00 C ATOM 1515 OD1 ASP A 109 1.821 9.858 16.339 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -0.234 10.516 16.897 1.00 0.00 O ATOM 0 H ASP A 109 1.001 6.912 12.878 1.00 0.00 H new ATOM 0 HA ASP A 109 1.854 8.263 14.431 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -0.569 9.142 14.594 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -0.739 8.109 16.000 1.00 0.00 H new ATOM 1520 N THR A 110 0.446 6.155 16.580 1.00 0.00 N ATOM 1521 CA THR A 110 0.710 5.217 17.659 1.00 0.00 C ATOM 1522 C THR A 110 0.720 3.783 17.126 1.00 0.00 C ATOM 1523 O THR A 110 1.745 3.104 17.180 1.00 0.00 O ATOM 1524 CB THR A 110 -0.331 5.450 18.754 1.00 0.00 C ATOM 1525 OG1 THR A 110 -0.075 6.780 19.200 1.00 0.00 O ATOM 1526 CG2 THR A 110 -0.082 4.588 19.993 1.00 0.00 C ATOM 0 H THR A 110 -0.543 6.311 16.383 1.00 0.00 H new ATOM 0 HA THR A 110 1.698 5.378 18.091 1.00 0.00 H new ATOM 0 HB THR A 110 -1.325 5.239 18.359 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.708 7.014 19.911 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.850 4.793 20.739 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.117 3.534 19.716 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.899 4.822 20.408 1.00 0.00 H new ATOM 1534 N THR A 111 -0.432 3.362 16.625 1.00 0.00 N ATOM 1535 CA THR A 111 -0.568 2.020 16.084 1.00 0.00 C ATOM 1536 C THR A 111 -1.115 2.074 14.657 1.00 0.00 C ATOM 1537 O THR A 111 -1.881 2.974 14.314 1.00 0.00 O ATOM 1538 CB THR A 111 -1.446 1.212 17.041 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.235 2.196 17.705 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.639 0.558 18.166 1.00 0.00 C ATOM 0 H THR A 111 -1.280 3.927 16.582 1.00 0.00 H new ATOM 0 HA THR A 111 0.399 1.523 16.009 1.00 0.00 H new ATOM 0 HB THR A 111 -1.978 0.442 16.482 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.835 1.758 18.344 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.310 -0.003 18.816 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.101 -0.118 17.737 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.132 1.329 18.746 1.00 0.00 H new ATOM 1548 N LEU A 112 -0.699 1.100 13.860 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.137 1.025 12.478 1.00 0.00 C ATOM 1550 C LEU A 112 -1.804 -0.330 12.230 1.00 0.00 C ATOM 1551 O LEU A 112 -1.162 -1.372 12.353 1.00 0.00 O ATOM 1552 CB LEU A 112 0.028 1.319 11.529 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.345 1.569 10.067 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.129 0.311 9.222 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.775 2.101 9.948 1.00 0.00 C ATOM 0 H LEU A 112 -0.063 0.356 14.146 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.885 1.791 12.275 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.562 2.193 11.901 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.723 0.480 11.568 1.00 0.00 H new ATOM 0 HG LEU A 112 0.318 2.339 9.673 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.402 0.517 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.919 0.017 9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.751 -0.497 9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.014 2.270 8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.470 1.373 10.366 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.861 3.040 10.495 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.083 -0.271 11.889 1.00 0.00 N ATOM 1567 CA GLU A 113 -3.844 -1.480 11.625 1.00 0.00 C ATOM 1568 C GLU A 113 -3.942 -1.726 10.117 1.00 0.00 C ATOM 1569 O GLU A 113 -4.057 -0.782 9.337 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.233 -1.404 12.260 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.112 -2.569 11.801 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.566 -2.361 12.227 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -7.790 -2.268 13.452 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.422 -2.299 11.317 1.00 0.00 O ATOM 0 H GLU A 113 -3.612 0.596 11.789 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.320 -2.322 12.078 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.141 -1.419 13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.707 -0.459 11.993 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.057 -2.665 10.717 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.736 -3.501 12.223 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.896 -2.998 9.754 1.00 0.00 N ATOM 1580 CA LEU A 114 -3.978 -3.381 8.354 1.00 0.00 C ATOM 1581 C LEU A 114 -4.891 -4.601 8.216 1.00 0.00 C ATOM 1582 O LEU A 114 -5.210 -5.258 9.207 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.580 -3.591 7.772 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.651 -2.375 7.802 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.185 -2.805 7.868 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.924 -1.448 6.616 1.00 0.00 C ATOM 0 H LEU A 114 -3.803 -3.778 10.405 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.425 -2.579 7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.100 -4.404 8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.684 -3.918 6.738 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.860 -1.808 8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.453 -1.921 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.019 -3.393 8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.057 -3.407 6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.251 -0.592 6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.760 -1.990 5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.956 -1.100 6.656 1.00 0.00 H new ATOM 1597 N SER A 115 -5.287 -4.867 6.980 1.00 0.00 N ATOM 1598 CA SER A 115 -6.156 -5.996 6.700 1.00 0.00 C ATOM 1599 C SER A 115 -5.753 -6.653 5.378 1.00 0.00 C ATOM 1600 O SER A 115 -5.671 -5.983 4.348 1.00 0.00 O ATOM 1601 CB SER A 115 -7.624 -5.564 6.652 1.00 0.00 C ATOM 1602 OG SER A 115 -7.998 -4.816 7.805 1.00 0.00 O ATOM 0 H SER A 115 -5.022 -4.320 6.161 1.00 0.00 H new ATOM 0 HA SER A 115 -6.045 -6.720 7.507 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.796 -4.964 5.759 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.259 -6.446 6.570 1.00 0.00 H new ATOM 0 HG SER A 115 -8.259 -5.430 8.523 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.513 -7.953 5.448 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.121 -8.707 4.269 1.00 0.00 C ATOM 1609 C VAL A 116 -6.130 -9.832 4.029 1.00 0.00 C ATOM 1610 O VAL A 116 -7.203 -9.847 4.630 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.685 -9.214 4.426 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.722 -8.057 4.698 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.595 -10.272 5.528 1.00 0.00 C ATOM 0 H VAL A 116 -5.582 -8.505 6.303 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.131 -8.068 3.386 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.390 -9.682 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.709 -8.444 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.755 -7.353 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.015 -7.548 5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.565 -10.616 5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.918 -9.840 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.238 -11.115 5.276 1.00 0.00 H new ATOM 1623 N MET A 117 -5.748 -10.747 3.151 1.00 0.00 N ATOM 1624 CA MET A 117 -6.607 -11.873 2.823 1.00 0.00 C ATOM 1625 C MET A 117 -5.778 -13.118 2.496 1.00 0.00 C ATOM 1626 O MET A 117 -5.420 -13.344 1.341 1.00 0.00 O ATOM 1627 CB MET A 117 -7.485 -11.515 1.623 1.00 0.00 C ATOM 1628 CG MET A 117 -8.771 -10.819 2.073 1.00 0.00 C ATOM 1629 SD MET A 117 -10.017 -12.035 2.466 1.00 0.00 S ATOM 1630 CE MET A 117 -10.238 -11.701 4.206 1.00 0.00 C ATOM 0 H MET A 117 -4.856 -10.732 2.657 1.00 0.00 H new ATOM 0 HA MET A 117 -7.232 -12.092 3.688 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.933 -10.864 0.945 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.732 -12.419 1.066 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.571 -10.196 2.945 1.00 0.00 H new ATOM 0 HG3 MET A 117 -9.132 -10.158 1.285 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.155 -12.176 4.554 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.390 -12.098 4.763 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.304 -10.625 4.364 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.488 -13.912 3.562 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.708 -15.126 3.400 1.00 0.00 C ATOM 1640 C PRO A 118 -5.546 -16.234 2.757 1.00 0.00 C ATOM 1641 O PRO A 118 -6.763 -16.277 2.930 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.232 -15.479 4.800 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.141 -14.718 5.752 1.00 0.00 C ATOM 1644 CD PRO A 118 -5.895 -13.675 4.944 1.00 0.00 C ATOM 0 HA PRO A 118 -3.861 -14.994 2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.294 -16.553 4.975 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.190 -15.193 4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.838 -15.399 6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.556 -14.242 6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -6.973 -13.784 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.640 -12.665 5.264 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.860 -17.104 2.030 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.526 -18.208 1.360 1.00 0.00 C ATOM 1651 C LYS A 119 -5.181 -19.515 2.078 1.00 0.00 C ATOM 1652 O LYS A 119 -4.156 -19.607 2.750 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.182 -18.216 -0.131 1.00 0.00 C ATOM 1654 CG LYS A 119 -6.423 -17.935 -0.981 1.00 0.00 C ATOM 1655 CD LYS A 119 -6.993 -19.228 -1.566 1.00 0.00 C ATOM 1656 CE LYS A 119 -7.489 -19.011 -2.996 1.00 0.00 C ATOM 1657 NZ LYS A 119 -8.949 -19.239 -3.079 1.00 0.00 N ATOM 0 H LYS A 119 -3.850 -17.067 1.890 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.608 -18.090 1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.419 -17.465 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.760 -19.183 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.181 -17.442 -0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.167 -17.249 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.227 -20.004 -1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.814 -19.583 -0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.255 -17.996 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.970 -19.689 -3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.269 -19.087 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.165 -20.215 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.441 -18.575 -2.447 1.00 0.00 H new