USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 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 44 CYS SG : rot 26:sc= -2.78! USER MOD Set 1.2: A 69 MET CE :methyl -123:sc= -8.73! (180deg=-8.77!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.585 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.019) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0.86 (180deg=0.675) USER MOD Single : A 21 ASN : amide:sc= 0.0789 X(o=0.079,f=0) USER MOD Single : A 22 MET CE :methyl -166:sc= -0.0122 (180deg=-0.631) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 25 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-4.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 48 SER OG : rot 72:sc= 0.368 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0716 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 139:sc= 0.755 (180deg=-0.0677!) USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= 0.647 (180deg=-1.26!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -33.363 19.102 18.390 1.00 0.00 N ATOM 122 CA PRO A 9 -34.341 20.187 18.185 1.00 0.00 C ATOM 123 C PRO A 9 -35.447 19.720 17.230 1.00 0.00 C ATOM 124 O PRO A 9 -36.632 19.923 17.483 1.00 0.00 O ATOM 125 CB PRO A 9 -33.505 21.316 17.571 1.00 0.00 C ATOM 126 CG PRO A 9 -32.257 20.644 16.949 1.00 0.00 C ATOM 127 CD PRO A 9 -32.092 19.285 17.657 1.00 0.00 C ATOM 0 HA PRO A 9 -34.845 20.501 19.099 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -34.075 21.854 16.814 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -33.217 22.044 18.330 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -32.384 20.509 15.875 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -31.372 21.264 17.090 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -31.926 18.480 16.941 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -31.238 19.290 18.335 1.00 0.00 H new ATOM 135 N ILE A 10 -35.080 19.085 16.146 1.00 0.00 N ATOM 136 CA ILE A 10 -36.102 18.590 15.172 1.00 0.00 C ATOM 137 C ILE A 10 -37.080 17.642 15.881 1.00 0.00 C ATOM 138 O ILE A 10 -38.289 17.774 15.742 1.00 0.00 O ATOM 139 CB ILE A 10 -35.400 17.857 14.019 1.00 0.00 C ATOM 140 CG1 ILE A 10 -34.563 18.855 13.214 1.00 0.00 C ATOM 141 CG2 ILE A 10 -36.443 17.225 13.094 1.00 0.00 C ATOM 142 CD1 ILE A 10 -33.276 18.175 12.746 1.00 0.00 C ATOM 0 H ILE A 10 -34.112 18.887 15.892 1.00 0.00 H new ATOM 0 HA ILE A 10 -36.660 19.436 14.771 1.00 0.00 H new ATOM 0 HB ILE A 10 -34.757 17.079 14.431 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -35.131 19.214 12.356 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -34.326 19.725 13.826 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -35.939 16.707 12.278 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -37.046 16.514 13.658 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -37.087 18.004 12.686 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -32.678 18.883 12.173 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -32.707 17.838 13.612 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -33.524 17.319 12.119 1.00 0.00 H new ATOM 154 N SER A 11 -36.588 16.699 16.650 1.00 0.00 N ATOM 155 CA SER A 11 -37.516 15.763 17.371 1.00 0.00 C ATOM 156 C SER A 11 -38.404 16.567 18.330 1.00 0.00 C ATOM 157 O SER A 11 -39.629 16.470 18.290 1.00 0.00 O ATOM 158 CB SER A 11 -36.710 14.718 18.154 1.00 0.00 C ATOM 159 OG SER A 11 -36.388 15.226 19.447 1.00 0.00 O ATOM 0 H SER A 11 -35.594 16.536 16.810 1.00 0.00 H new ATOM 0 HA SER A 11 -38.142 15.246 16.644 1.00 0.00 H new ATOM 0 HB2 SER A 11 -37.286 13.797 18.248 1.00 0.00 H new ATOM 0 HB3 SER A 11 -35.797 14.469 17.613 1.00 0.00 H new ATOM 0 HG SER A 11 -35.875 14.555 19.944 1.00 0.00 H new ATOM 165 N GLN A 12 -37.815 17.375 19.179 1.00 0.00 N ATOM 166 CA GLN A 12 -38.631 18.198 20.129 1.00 0.00 C ATOM 167 C GLN A 12 -39.605 19.080 19.327 1.00 0.00 C ATOM 168 O GLN A 12 -40.786 19.188 19.662 1.00 0.00 O ATOM 169 CB GLN A 12 -37.699 19.060 20.991 1.00 0.00 C ATOM 170 CG GLN A 12 -36.932 18.147 21.961 1.00 0.00 C ATOM 171 CD GLN A 12 -35.914 18.956 22.769 1.00 0.00 C ATOM 172 OE1 GLN A 12 -35.975 18.995 23.994 1.00 0.00 O ATOM 173 NE2 GLN A 12 -34.970 19.597 22.154 1.00 0.00 N ATOM 0 H GLN A 12 -36.806 17.500 19.256 1.00 0.00 H new ATOM 0 HA GLN A 12 -39.207 17.548 20.787 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -37.001 19.609 20.359 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -38.276 19.800 21.546 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -37.632 17.655 22.636 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -36.421 17.362 21.403 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -34.914 19.569 21.136 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -34.283 20.130 22.688 1.00 0.00 H new ATOM 182 N VAL A 13 -39.151 19.682 18.253 1.00 0.00 N ATOM 183 CA VAL A 13 -40.075 20.512 17.415 1.00 0.00 C ATOM 184 C VAL A 13 -41.158 19.584 16.845 1.00 0.00 C ATOM 185 O VAL A 13 -42.345 19.909 16.841 1.00 0.00 O ATOM 186 CB VAL A 13 -39.299 21.171 16.266 1.00 0.00 C ATOM 187 CG1 VAL A 13 -40.266 21.945 15.370 1.00 0.00 C ATOM 188 CG2 VAL A 13 -38.264 22.145 16.831 1.00 0.00 C ATOM 0 H VAL A 13 -38.187 19.635 17.922 1.00 0.00 H new ATOM 0 HA VAL A 13 -40.525 21.299 18.020 1.00 0.00 H new ATOM 0 HB VAL A 13 -38.797 20.395 15.688 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -39.713 22.412 14.555 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -41.008 21.261 14.959 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -40.768 22.715 15.956 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -37.716 22.610 16.011 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -38.769 22.916 17.413 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -37.568 21.604 17.472 1.00 0.00 H new ATOM 198 N HIS A 14 -40.762 18.417 16.396 1.00 0.00 N ATOM 199 CA HIS A 14 -41.743 17.429 15.858 1.00 0.00 C ATOM 200 C HIS A 14 -42.770 17.121 16.954 1.00 0.00 C ATOM 201 O HIS A 14 -43.965 17.038 16.695 1.00 0.00 O ATOM 202 CB HIS A 14 -41.000 16.144 15.469 1.00 0.00 C ATOM 203 CG HIS A 14 -40.540 16.230 14.041 1.00 0.00 C ATOM 204 ND1 HIS A 14 -40.785 15.223 13.124 1.00 0.00 N ATOM 205 CD2 HIS A 14 -39.838 17.192 13.360 1.00 0.00 C ATOM 206 CE1 HIS A 14 -40.239 15.599 11.952 1.00 0.00 C ATOM 207 NE2 HIS A 14 -39.650 16.792 12.041 1.00 0.00 N ATOM 0 H HIS A 14 -39.791 18.106 16.380 1.00 0.00 H new ATOM 0 HA HIS A 14 -42.247 17.831 14.979 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -40.144 15.995 16.127 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -41.655 15.282 15.598 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -39.485 18.120 13.784 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -40.274 15.006 11.050 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -39.166 17.301 11.302 1.00 0.00 H new ATOM 215 N GLU A 15 -42.315 16.968 18.175 1.00 0.00 N ATOM 216 CA GLU A 15 -43.242 16.688 19.313 1.00 0.00 C ATOM 217 C GLU A 15 -44.250 17.839 19.445 1.00 0.00 C ATOM 218 O GLU A 15 -45.458 17.638 19.369 1.00 0.00 O ATOM 219 CB GLU A 15 -42.421 16.580 20.604 1.00 0.00 C ATOM 220 CG GLU A 15 -42.813 15.310 21.363 1.00 0.00 C ATOM 221 CD GLU A 15 -42.781 15.576 22.870 1.00 0.00 C ATOM 222 OE1 GLU A 15 -41.699 15.546 23.435 1.00 0.00 O ATOM 223 OE2 GLU A 15 -43.840 15.806 23.432 1.00 0.00 O ATOM 0 H GLU A 15 -41.330 17.026 18.432 1.00 0.00 H new ATOM 0 HA GLU A 15 -43.779 15.756 19.134 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -41.357 16.560 20.369 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -42.593 17.456 21.229 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -43.810 14.989 21.062 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -42.128 14.500 21.113 1.00 0.00 H new ATOM 230 N ILE A 16 -43.769 19.047 19.631 1.00 0.00 N ATOM 231 CA ILE A 16 -44.687 20.230 19.766 1.00 0.00 C ATOM 232 C ILE A 16 -45.763 20.195 18.668 1.00 0.00 C ATOM 233 O ILE A 16 -46.947 20.437 18.924 1.00 0.00 O ATOM 234 CB ILE A 16 -43.868 21.529 19.645 1.00 0.00 C ATOM 235 CG1 ILE A 16 -42.812 21.592 20.756 1.00 0.00 C ATOM 236 CG2 ILE A 16 -44.791 22.742 19.770 1.00 0.00 C ATOM 237 CD1 ILE A 16 -43.478 21.397 22.120 1.00 0.00 C ATOM 0 H ILE A 16 -42.775 19.267 19.696 1.00 0.00 H new ATOM 0 HA ILE A 16 -45.175 20.193 20.740 1.00 0.00 H new ATOM 0 HB ILE A 16 -43.377 21.539 18.672 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -42.058 20.822 20.597 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -42.298 22.553 20.727 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -44.204 23.656 19.683 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -45.538 22.714 18.977 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -45.290 22.721 20.739 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -42.722 21.443 22.904 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -44.215 22.183 22.281 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -43.972 20.426 22.148 1.00 0.00 H new ATOM 249 N GLY A 17 -45.379 19.891 17.454 1.00 0.00 N ATOM 250 CA GLY A 17 -46.376 19.824 16.338 1.00 0.00 C ATOM 251 C GLY A 17 -47.233 18.562 16.499 1.00 0.00 C ATOM 252 O GLY A 17 -48.466 18.622 16.497 1.00 0.00 O ATOM 0 H GLY A 17 -44.417 19.686 17.185 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -47.009 20.711 16.347 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -45.863 19.809 15.377 1.00 0.00 H new ATOM 256 N ILE A 18 -46.600 17.427 16.657 1.00 0.00 N ATOM 257 CA ILE A 18 -47.347 16.140 16.839 1.00 0.00 C ATOM 258 C ILE A 18 -47.833 16.029 18.300 1.00 0.00 C ATOM 259 O ILE A 18 -47.632 15.025 18.982 1.00 0.00 O ATOM 260 CB ILE A 18 -46.417 14.958 16.495 1.00 0.00 C ATOM 261 CG1 ILE A 18 -46.037 14.995 15.008 1.00 0.00 C ATOM 262 CG2 ILE A 18 -47.122 13.632 16.788 1.00 0.00 C ATOM 263 CD1 ILE A 18 -47.301 15.018 14.144 1.00 0.00 C ATOM 0 H ILE A 18 -45.584 17.334 16.668 1.00 0.00 H new ATOM 0 HA ILE A 18 -48.212 16.117 16.176 1.00 0.00 H new ATOM 0 HB ILE A 18 -45.518 15.042 17.106 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -45.429 15.876 14.801 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -45.431 14.124 14.757 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -46.457 12.804 16.542 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -47.384 13.585 17.845 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -48.028 13.561 16.186 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -47.021 15.044 13.091 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -47.892 14.124 14.340 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -47.890 15.903 14.385 1.00 0.00 H new ATOM 275 N LYS A 19 -48.481 17.044 18.792 1.00 0.00 N ATOM 276 CA LYS A 19 -48.987 17.000 20.195 1.00 0.00 C ATOM 277 C LYS A 19 -50.272 17.827 20.303 1.00 0.00 C ATOM 278 O LYS A 19 -51.261 17.390 20.899 1.00 0.00 O ATOM 279 CB LYS A 19 -47.919 17.552 21.137 1.00 0.00 C ATOM 280 CG LYS A 19 -48.057 16.887 22.511 1.00 0.00 C ATOM 281 CD LYS A 19 -49.225 17.526 23.278 1.00 0.00 C ATOM 282 CE LYS A 19 -50.163 16.434 23.798 1.00 0.00 C ATOM 283 NZ LYS A 19 -51.528 16.640 23.225 1.00 0.00 N ATOM 0 H LYS A 19 -48.684 17.905 18.285 1.00 0.00 H new ATOM 0 HA LYS A 19 -49.208 15.970 20.475 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -46.926 17.364 20.728 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -48.026 18.633 21.232 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -48.228 15.817 22.393 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -47.132 17.001 23.076 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -48.845 18.118 24.110 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -49.771 18.207 22.625 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -49.784 15.451 23.520 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -50.205 16.463 24.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -52.132 15.828 23.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -51.943 17.509 23.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -51.461 16.727 22.191 1.00 0.00 H new ATOM 297 N ARG A 20 -50.284 19.002 19.731 1.00 0.00 N ATOM 298 CA ARG A 20 -51.513 19.848 19.772 1.00 0.00 C ATOM 299 C ARG A 20 -52.321 19.562 18.496 1.00 0.00 C ATOM 300 O ARG A 20 -53.350 18.898 18.535 1.00 0.00 O ATOM 301 CB ARG A 20 -51.123 21.333 19.838 1.00 0.00 C ATOM 302 CG ARG A 20 -50.523 21.654 21.212 1.00 0.00 C ATOM 303 CD ARG A 20 -50.412 23.172 21.376 1.00 0.00 C ATOM 304 NE ARG A 20 -49.093 23.639 20.850 1.00 0.00 N ATOM 305 CZ ARG A 20 -49.018 24.732 20.161 1.00 0.00 C ATOM 306 NH1 ARG A 20 -49.139 25.871 20.746 1.00 0.00 N ATOM 307 NH2 ARG A 20 -48.826 24.674 18.891 1.00 0.00 N ATOM 0 H ARG A 20 -49.493 19.414 19.236 1.00 0.00 H new ATOM 0 HA ARG A 20 -52.110 19.617 20.654 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -50.402 21.564 19.054 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -51.999 21.956 19.659 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -51.149 21.237 22.001 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -49.540 21.194 21.308 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -51.223 23.666 20.841 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -50.512 23.442 22.427 1.00 0.00 H new ATOM 0 HE ARG A 20 -48.250 23.095 21.035 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -49.294 25.913 21.753 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -49.080 26.732 20.203 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -48.733 23.769 18.430 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -48.766 25.533 18.344 1.00 0.00 H new ATOM 321 N ASN A 21 -51.845 20.031 17.367 1.00 0.00 N ATOM 322 CA ASN A 21 -52.542 19.781 16.061 1.00 0.00 C ATOM 323 C ASN A 21 -51.845 20.591 14.952 1.00 0.00 C ATOM 324 O ASN A 21 -52.471 21.390 14.258 1.00 0.00 O ATOM 325 CB ASN A 21 -54.018 20.201 16.158 1.00 0.00 C ATOM 326 CG ASN A 21 -54.868 19.283 15.282 1.00 0.00 C ATOM 327 OD1 ASN A 21 -55.659 18.497 15.782 1.00 0.00 O ATOM 328 ND2 ASN A 21 -54.747 19.335 13.990 1.00 0.00 N ATOM 0 H ASN A 21 -50.991 20.584 17.292 1.00 0.00 H new ATOM 0 HA ASN A 21 -52.495 18.718 15.827 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -54.355 20.148 17.193 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -54.134 21.236 15.838 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -55.310 18.722 13.400 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -54.089 19.988 13.565 1.00 0.00 H new ATOM 335 N MET A 22 -50.558 20.414 14.778 1.00 0.00 N ATOM 336 CA MET A 22 -49.836 21.195 13.725 1.00 0.00 C ATOM 337 C MET A 22 -48.748 20.341 13.057 1.00 0.00 C ATOM 338 O MET A 22 -47.921 19.723 13.724 1.00 0.00 O ATOM 339 CB MET A 22 -49.190 22.419 14.378 1.00 0.00 C ATOM 340 CG MET A 22 -50.197 23.569 14.415 1.00 0.00 C ATOM 341 SD MET A 22 -49.343 25.092 14.880 1.00 0.00 S ATOM 342 CE MET A 22 -50.790 25.978 15.505 1.00 0.00 C ATOM 0 H MET A 22 -49.980 19.768 15.315 1.00 0.00 H new ATOM 0 HA MET A 22 -50.549 21.501 12.960 1.00 0.00 H new ATOM 0 HB2 MET A 22 -48.863 22.175 15.389 1.00 0.00 H new ATOM 0 HB3 MET A 22 -48.303 22.717 13.819 1.00 0.00 H new ATOM 0 HG2 MET A 22 -50.669 23.686 13.440 1.00 0.00 H new ATOM 0 HG3 MET A 22 -50.991 23.350 15.129 1.00 0.00 H new ATOM 0 HE1 MET A 22 -50.548 27.035 15.619 1.00 0.00 H new ATOM 0 HE2 MET A 22 -51.615 25.869 14.802 1.00 0.00 H new ATOM 0 HE3 MET A 22 -51.080 25.566 16.471 1.00 0.00 H new ATOM 352 N THR A 23 -48.724 20.314 11.751 1.00 0.00 N ATOM 353 CA THR A 23 -47.683 19.521 11.027 1.00 0.00 C ATOM 354 C THR A 23 -46.341 20.258 11.102 1.00 0.00 C ATOM 355 O THR A 23 -46.297 21.479 11.245 1.00 0.00 O ATOM 356 CB THR A 23 -48.088 19.365 9.555 1.00 0.00 C ATOM 357 OG1 THR A 23 -49.367 19.951 9.351 1.00 0.00 O ATOM 358 CG2 THR A 23 -48.153 17.882 9.189 1.00 0.00 C ATOM 0 H THR A 23 -49.383 20.809 11.150 1.00 0.00 H new ATOM 0 HA THR A 23 -47.592 18.537 11.488 1.00 0.00 H new ATOM 0 HB THR A 23 -47.349 19.862 8.927 1.00 0.00 H new ATOM 0 HG1 THR A 23 -49.625 19.853 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 23 -48.441 17.778 8.143 1.00 0.00 H new ATOM 0 HG22 THR A 23 -47.175 17.426 9.343 1.00 0.00 H new ATOM 0 HG23 THR A 23 -48.889 17.384 9.819 1.00 0.00 H new ATOM 366 N VAL A 24 -45.250 19.548 11.011 1.00 0.00 N ATOM 367 CA VAL A 24 -43.911 20.215 11.077 1.00 0.00 C ATOM 368 C VAL A 24 -43.064 19.777 9.874 1.00 0.00 C ATOM 369 O VAL A 24 -42.588 18.644 9.808 1.00 0.00 O ATOM 370 CB VAL A 24 -43.210 19.822 12.384 1.00 0.00 C ATOM 371 CG1 VAL A 24 -41.817 20.449 12.436 1.00 0.00 C ATOM 372 CG2 VAL A 24 -44.024 20.329 13.576 1.00 0.00 C ATOM 0 H VAL A 24 -45.224 18.535 10.894 1.00 0.00 H new ATOM 0 HA VAL A 24 -44.036 21.297 11.051 1.00 0.00 H new ATOM 0 HB VAL A 24 -43.126 18.736 12.426 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -41.325 20.166 13.367 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -41.227 20.095 11.591 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -41.905 21.534 12.388 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -43.524 20.049 14.503 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -44.109 21.414 13.523 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -45.019 19.886 13.552 1.00 0.00 H new ATOM 382 N HIS A 25 -42.873 20.646 8.916 1.00 0.00 N ATOM 383 CA HIS A 25 -42.062 20.269 7.714 1.00 0.00 C ATOM 384 C HIS A 25 -40.801 21.142 7.633 1.00 0.00 C ATOM 385 O HIS A 25 -40.879 22.366 7.553 1.00 0.00 O ATOM 386 CB HIS A 25 -42.902 20.467 6.443 1.00 0.00 C ATOM 387 CG HIS A 25 -44.191 19.700 6.555 1.00 0.00 C ATOM 388 ND1 HIS A 25 -44.326 18.408 6.075 1.00 0.00 N ATOM 389 CD2 HIS A 25 -45.412 20.031 7.086 1.00 0.00 C ATOM 390 CE1 HIS A 25 -45.588 18.011 6.326 1.00 0.00 C ATOM 391 NE2 HIS A 25 -46.292 18.963 6.941 1.00 0.00 N ATOM 0 H HIS A 25 -43.241 21.597 8.911 1.00 0.00 H new ATOM 0 HA HIS A 25 -41.768 19.223 7.800 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -43.111 21.527 6.297 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -42.342 20.129 5.571 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -43.601 17.857 5.615 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -45.654 20.977 7.547 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -45.982 17.041 6.062 1.00 0.00 H new ATOM 399 N PHE A 26 -39.644 20.532 7.642 1.00 0.00 N ATOM 400 CA PHE A 26 -38.368 21.313 7.553 1.00 0.00 C ATOM 401 C PHE A 26 -37.663 20.983 6.228 1.00 0.00 C ATOM 402 O PHE A 26 -37.566 19.821 5.836 1.00 0.00 O ATOM 403 CB PHE A 26 -37.456 20.933 8.727 1.00 0.00 C ATOM 404 CG PHE A 26 -37.743 21.827 9.909 1.00 0.00 C ATOM 405 CD1 PHE A 26 -38.933 21.677 10.630 1.00 0.00 C ATOM 406 CD2 PHE A 26 -36.817 22.805 10.287 1.00 0.00 C ATOM 407 CE1 PHE A 26 -39.197 22.504 11.727 1.00 0.00 C ATOM 408 CE2 PHE A 26 -37.081 23.633 11.386 1.00 0.00 C ATOM 409 CZ PHE A 26 -38.271 23.482 12.105 1.00 0.00 C ATOM 0 H PHE A 26 -39.525 19.521 7.707 1.00 0.00 H new ATOM 0 HA PHE A 26 -38.587 22.380 7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -37.616 19.890 9.001 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -36.411 21.028 8.433 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -39.648 20.922 10.339 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -35.898 22.922 9.731 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -40.116 22.387 12.282 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -36.366 24.388 11.678 1.00 0.00 H new ATOM 0 HZ PHE A 26 -38.475 24.120 12.952 1.00 0.00 H new ATOM 419 N LYS A 27 -37.177 21.973 5.526 1.00 0.00 N ATOM 420 CA LYS A 27 -36.490 21.698 4.225 1.00 0.00 C ATOM 421 C LYS A 27 -35.494 22.819 3.889 1.00 0.00 C ATOM 422 O LYS A 27 -35.811 24.006 3.960 1.00 0.00 O ATOM 423 CB LYS A 27 -37.544 21.601 3.117 1.00 0.00 C ATOM 424 CG LYS A 27 -36.954 20.871 1.908 1.00 0.00 C ATOM 425 CD LYS A 27 -37.918 20.988 0.723 1.00 0.00 C ATOM 426 CE LYS A 27 -37.469 20.054 -0.404 1.00 0.00 C ATOM 427 NZ LYS A 27 -36.280 20.647 -1.090 1.00 0.00 N ATOM 0 H LYS A 27 -37.225 22.956 5.794 1.00 0.00 H new ATOM 0 HA LYS A 27 -35.940 20.760 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -38.422 21.069 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -37.874 22.599 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -35.986 21.299 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -36.784 19.822 2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -38.930 20.732 1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -37.946 22.017 0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -37.219 19.072 -0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -38.280 19.909 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -35.971 20.016 -1.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -36.534 21.574 -1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -35.506 20.764 -0.405 1.00 0.00 H new ATOM 441 N VAL A 28 -34.297 22.461 3.504 1.00 0.00 N ATOM 442 CA VAL A 28 -33.280 23.498 3.139 1.00 0.00 C ATOM 443 C VAL A 28 -33.563 23.999 1.714 1.00 0.00 C ATOM 444 O VAL A 28 -34.025 23.244 0.853 1.00 0.00 O ATOM 445 CB VAL A 28 -31.873 22.886 3.209 1.00 0.00 C ATOM 446 CG1 VAL A 28 -30.832 23.938 2.820 1.00 0.00 C ATOM 447 CG2 VAL A 28 -31.588 22.415 4.636 1.00 0.00 C ATOM 0 H VAL A 28 -33.977 21.496 3.426 1.00 0.00 H new ATOM 0 HA VAL A 28 -33.338 24.334 3.836 1.00 0.00 H new ATOM 0 HB VAL A 28 -31.819 22.042 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -29.835 23.500 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -31.025 24.283 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -30.893 24.782 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -30.589 21.981 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -31.648 23.263 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -32.324 21.664 4.925 1.00 0.00 H new ATOM 457 N LEU A 29 -33.302 25.252 1.449 1.00 0.00 N ATOM 458 CA LEU A 29 -33.562 25.800 0.078 1.00 0.00 C ATOM 459 C LEU A 29 -32.300 25.656 -0.778 1.00 0.00 C ATOM 460 O LEU A 29 -32.310 25.004 -1.822 1.00 0.00 O ATOM 461 CB LEU A 29 -33.961 27.284 0.164 1.00 0.00 C ATOM 462 CG LEU A 29 -34.833 27.531 1.397 1.00 0.00 C ATOM 463 CD1 LEU A 29 -35.180 29.015 1.483 1.00 0.00 C ATOM 464 CD2 LEU A 29 -36.123 26.723 1.285 1.00 0.00 C ATOM 0 H LEU A 29 -32.921 25.921 2.118 1.00 0.00 H new ATOM 0 HA LEU A 29 -34.379 25.241 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -33.067 27.905 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -34.502 27.574 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 29 -34.287 27.226 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -35.801 29.193 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -34.263 29.599 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -35.724 29.314 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -36.742 26.901 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -36.667 27.028 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -35.883 25.662 1.219 1.00 0.00 H new ATOM 476 N ARG A 30 -31.219 26.249 -0.346 1.00 0.00 N ATOM 477 CA ARG A 30 -29.936 26.154 -1.114 1.00 0.00 C ATOM 478 C ARG A 30 -28.825 26.951 -0.407 1.00 0.00 C ATOM 479 O ARG A 30 -28.967 27.369 0.746 1.00 0.00 O ATOM 480 CB ARG A 30 -30.137 26.697 -2.534 1.00 0.00 C ATOM 481 CG ARG A 30 -29.460 25.748 -3.528 1.00 0.00 C ATOM 482 CD ARG A 30 -29.928 26.065 -4.946 1.00 0.00 C ATOM 483 NE ARG A 30 -29.820 24.826 -5.774 1.00 0.00 N ATOM 484 CZ ARG A 30 -30.507 24.704 -6.860 1.00 0.00 C ATOM 485 NH1 ARG A 30 -31.765 24.429 -6.795 1.00 0.00 N ATOM 486 NH2 ARG A 30 -29.931 24.861 -8.003 1.00 0.00 N ATOM 0 H ARG A 30 -31.166 26.799 0.511 1.00 0.00 H new ATOM 0 HA ARG A 30 -29.639 25.107 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -31.200 26.782 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -29.712 27.697 -2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -28.377 25.849 -3.462 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -29.699 24.714 -3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -30.958 26.422 -4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -29.320 26.861 -5.376 1.00 0.00 H new ATOM 0 HE ARG A 30 -29.200 24.072 -5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -32.214 24.309 -5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -32.311 24.332 -7.651 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -28.936 25.081 -8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -30.470 24.765 -8.863 1.00 0.00 H new ATOM 631 N PHE A 40 -26.200 29.051 5.201 1.00 0.00 N ATOM 632 CA PHE A 40 -27.222 28.192 4.531 1.00 0.00 C ATOM 633 C PHE A 40 -28.623 28.784 4.756 1.00 0.00 C ATOM 634 O PHE A 40 -28.776 29.882 5.291 1.00 0.00 O ATOM 635 CB PHE A 40 -27.150 26.781 5.128 1.00 0.00 C ATOM 636 CG PHE A 40 -26.433 25.858 4.174 1.00 0.00 C ATOM 637 CD1 PHE A 40 -25.139 26.167 3.740 1.00 0.00 C ATOM 638 CD2 PHE A 40 -27.062 24.693 3.726 1.00 0.00 C ATOM 639 CE1 PHE A 40 -24.475 25.309 2.856 1.00 0.00 C ATOM 640 CE2 PHE A 40 -26.398 23.835 2.843 1.00 0.00 C ATOM 641 CZ PHE A 40 -25.105 24.143 2.408 1.00 0.00 C ATOM 0 HA PHE A 40 -27.026 28.148 3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -26.628 26.807 6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -28.155 26.407 5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -24.653 27.067 4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -28.061 24.455 4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -23.477 25.547 2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -26.884 22.935 2.497 1.00 0.00 H new ATOM 0 HZ PHE A 40 -24.593 23.481 1.726 1.00 0.00 H new ATOM 651 N ILE A 41 -29.649 28.079 4.358 1.00 0.00 N ATOM 652 CA ILE A 41 -31.038 28.596 4.558 1.00 0.00 C ATOM 653 C ILE A 41 -32.019 27.415 4.652 1.00 0.00 C ATOM 654 O ILE A 41 -32.299 26.720 3.673 1.00 0.00 O ATOM 655 CB ILE A 41 -31.418 29.536 3.401 1.00 0.00 C ATOM 656 CG1 ILE A 41 -32.779 30.176 3.686 1.00 0.00 C ATOM 657 CG2 ILE A 41 -31.495 28.761 2.088 1.00 0.00 C ATOM 658 CD1 ILE A 41 -32.588 31.399 4.585 1.00 0.00 C ATOM 0 H ILE A 41 -29.587 27.168 3.903 1.00 0.00 H new ATOM 0 HA ILE A 41 -31.088 29.163 5.488 1.00 0.00 H new ATOM 0 HB ILE A 41 -30.654 30.309 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -33.258 30.469 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -33.438 29.455 4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -31.765 29.441 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -30.526 28.310 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -32.249 27.978 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -33.557 31.856 4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -32.127 31.092 5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -31.944 32.122 4.084 1.00 0.00 H new ATOM 670 N THR A 42 -32.536 27.167 5.823 1.00 0.00 N ATOM 671 CA THR A 42 -33.490 26.028 6.007 1.00 0.00 C ATOM 672 C THR A 42 -34.897 26.571 6.267 1.00 0.00 C ATOM 673 O THR A 42 -35.131 27.300 7.228 1.00 0.00 O ATOM 674 CB THR A 42 -33.045 25.174 7.200 1.00 0.00 C ATOM 675 OG1 THR A 42 -31.733 24.674 6.967 1.00 0.00 O ATOM 676 CG2 THR A 42 -34.002 23.998 7.377 1.00 0.00 C ATOM 0 H THR A 42 -32.340 27.705 6.667 1.00 0.00 H new ATOM 0 HA THR A 42 -33.499 25.417 5.104 1.00 0.00 H new ATOM 0 HB THR A 42 -33.050 25.789 8.100 1.00 0.00 H new ATOM 0 HG1 THR A 42 -31.450 24.130 7.731 1.00 0.00 H new ATOM 0 HG21 THR A 42 -33.682 23.393 8.226 1.00 0.00 H new ATOM 0 HG22 THR A 42 -35.010 24.373 7.557 1.00 0.00 H new ATOM 0 HG23 THR A 42 -33.998 23.387 6.474 1.00 0.00 H new ATOM 684 N ALA A 43 -35.840 26.222 5.437 1.00 0.00 N ATOM 685 CA ALA A 43 -37.235 26.710 5.641 1.00 0.00 C ATOM 686 C ALA A 43 -38.029 25.670 6.444 1.00 0.00 C ATOM 687 O ALA A 43 -37.746 24.473 6.397 1.00 0.00 O ATOM 688 CB ALA A 43 -37.895 26.928 4.276 1.00 0.00 C ATOM 0 H ALA A 43 -35.706 25.619 4.625 1.00 0.00 H new ATOM 0 HA ALA A 43 -37.221 27.651 6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -38.915 27.285 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -37.327 27.667 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -37.913 25.987 3.726 1.00 0.00 H new ATOM 694 N CYS A 44 -39.014 26.100 7.177 1.00 0.00 N ATOM 695 CA CYS A 44 -39.824 25.137 7.978 1.00 0.00 C ATOM 696 C CYS A 44 -41.287 25.599 8.005 1.00 0.00 C ATOM 697 O CYS A 44 -41.579 26.796 8.047 1.00 0.00 O ATOM 698 CB CYS A 44 -39.263 25.064 9.401 1.00 0.00 C ATOM 699 SG CYS A 44 -39.260 26.714 10.145 1.00 0.00 S ATOM 0 H CYS A 44 -39.296 27.077 7.258 1.00 0.00 H new ATOM 0 HA CYS A 44 -39.775 24.146 7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -39.865 24.384 10.004 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -38.250 24.662 9.382 1.00 0.00 H new ATOM 0 HG CYS A 44 -40.183 27.442 9.589 1.00 0.00 H new ATOM 705 N ILE A 45 -42.214 24.680 7.967 1.00 0.00 N ATOM 706 CA ILE A 45 -43.653 25.079 7.976 1.00 0.00 C ATOM 707 C ILE A 45 -44.416 24.365 9.102 1.00 0.00 C ATOM 708 O ILE A 45 -44.195 23.185 9.392 1.00 0.00 O ATOM 709 CB ILE A 45 -44.287 24.744 6.615 1.00 0.00 C ATOM 710 CG1 ILE A 45 -45.458 25.694 6.356 1.00 0.00 C ATOM 711 CG2 ILE A 45 -44.805 23.302 6.607 1.00 0.00 C ATOM 712 CD1 ILE A 45 -45.999 25.465 4.944 1.00 0.00 C ATOM 0 H ILE A 45 -42.040 23.676 7.930 1.00 0.00 H new ATOM 0 HA ILE A 45 -43.715 26.153 8.154 1.00 0.00 H new ATOM 0 HB ILE A 45 -43.531 24.856 5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -46.246 25.526 7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -45.133 26.728 6.469 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -45.251 23.081 5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -43.977 22.617 6.791 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -45.556 23.181 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -46.833 26.142 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -45.210 25.655 4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -46.340 24.434 4.848 1.00 0.00 H new ATOM 724 N VAL A 46 -45.325 25.067 9.717 1.00 0.00 N ATOM 725 CA VAL A 46 -46.157 24.480 10.809 1.00 0.00 C ATOM 726 C VAL A 46 -47.569 24.236 10.254 1.00 0.00 C ATOM 727 O VAL A 46 -47.888 24.668 9.148 1.00 0.00 O ATOM 728 CB VAL A 46 -46.241 25.459 11.995 1.00 0.00 C ATOM 729 CG1 VAL A 46 -46.491 24.678 13.284 1.00 0.00 C ATOM 730 CG2 VAL A 46 -44.933 26.241 12.146 1.00 0.00 C ATOM 0 H VAL A 46 -45.532 26.043 9.506 1.00 0.00 H new ATOM 0 HA VAL A 46 -45.711 23.547 11.155 1.00 0.00 H new ATOM 0 HB VAL A 46 -47.057 26.156 11.806 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -46.550 25.371 14.123 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -47.428 24.128 13.200 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -45.673 23.977 13.449 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -45.014 26.927 12.989 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -44.112 25.546 12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -44.741 26.808 11.235 1.00 0.00 H new ATOM 740 N GLY A 47 -48.418 23.563 10.994 1.00 0.00 N ATOM 741 CA GLY A 47 -49.821 23.289 10.513 1.00 0.00 C ATOM 742 C GLY A 47 -50.384 24.484 9.726 1.00 0.00 C ATOM 743 O GLY A 47 -50.958 24.318 8.653 1.00 0.00 O ATOM 0 H GLY A 47 -48.203 23.187 11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -49.824 22.401 9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -50.465 23.076 11.366 1.00 0.00 H new ATOM 747 N SER A 48 -50.233 25.680 10.233 1.00 0.00 N ATOM 748 CA SER A 48 -50.760 26.881 9.504 1.00 0.00 C ATOM 749 C SER A 48 -49.787 28.064 9.651 1.00 0.00 C ATOM 750 O SER A 48 -50.204 29.214 9.794 1.00 0.00 O ATOM 751 CB SER A 48 -52.123 27.267 10.087 1.00 0.00 C ATOM 752 OG SER A 48 -51.931 27.893 11.353 1.00 0.00 O ATOM 0 H SER A 48 -49.769 25.881 11.119 1.00 0.00 H new ATOM 0 HA SER A 48 -50.863 26.639 8.446 1.00 0.00 H new ATOM 0 HB2 SER A 48 -52.644 27.943 9.409 1.00 0.00 H new ATOM 0 HB3 SER A 48 -52.749 26.381 10.197 1.00 0.00 H new ATOM 0 HG SER A 48 -51.555 28.788 11.222 1.00 0.00 H new ATOM 758 N ILE A 49 -48.503 27.808 9.617 1.00 0.00 N ATOM 759 CA ILE A 49 -47.500 28.918 9.758 1.00 0.00 C ATOM 760 C ILE A 49 -46.239 28.582 8.945 1.00 0.00 C ATOM 761 O ILE A 49 -45.930 27.420 8.704 1.00 0.00 O ATOM 762 CB ILE A 49 -47.126 29.077 11.246 1.00 0.00 C ATOM 763 CG1 ILE A 49 -48.315 29.646 12.034 1.00 0.00 C ATOM 764 CG2 ILE A 49 -45.932 30.026 11.395 1.00 0.00 C ATOM 765 CD1 ILE A 49 -48.595 31.087 11.593 1.00 0.00 C ATOM 0 H ILE A 49 -48.102 26.878 9.498 1.00 0.00 H new ATOM 0 HA ILE A 49 -47.930 29.848 9.386 1.00 0.00 H new ATOM 0 HB ILE A 49 -46.863 28.095 11.639 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -49.199 29.029 11.871 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -48.100 29.619 13.102 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -45.679 30.129 12.450 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -45.076 29.622 10.854 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -46.191 31.003 10.987 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -49.440 31.482 12.157 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -47.715 31.702 11.779 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -48.830 31.103 10.529 1.00 0.00 H new ATOM 777 N VAL A 50 -45.494 29.573 8.531 1.00 0.00 N ATOM 778 CA VAL A 50 -44.240 29.301 7.752 1.00 0.00 C ATOM 779 C VAL A 50 -43.081 30.084 8.377 1.00 0.00 C ATOM 780 O VAL A 50 -43.236 31.234 8.792 1.00 0.00 O ATOM 781 CB VAL A 50 -44.396 29.729 6.284 1.00 0.00 C ATOM 782 CG1 VAL A 50 -43.731 28.693 5.378 1.00 0.00 C ATOM 783 CG2 VAL A 50 -45.876 29.836 5.909 1.00 0.00 C ATOM 0 H VAL A 50 -45.695 30.559 8.696 1.00 0.00 H new ATOM 0 HA VAL A 50 -44.041 28.230 7.783 1.00 0.00 H new ATOM 0 HB VAL A 50 -43.923 30.703 6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -43.841 28.996 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -42.672 28.620 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -44.205 27.723 5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -45.966 30.140 4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -46.357 28.868 6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -46.360 30.576 6.546 1.00 0.00 H new ATOM 793 N THR A 51 -41.925 29.488 8.454 1.00 0.00 N ATOM 794 CA THR A 51 -40.754 30.200 9.059 1.00 0.00 C ATOM 795 C THR A 51 -39.461 29.774 8.354 1.00 0.00 C ATOM 796 O THR A 51 -39.415 28.760 7.660 1.00 0.00 O ATOM 797 CB THR A 51 -40.646 29.847 10.551 1.00 0.00 C ATOM 798 OG1 THR A 51 -41.921 29.461 11.053 1.00 0.00 O ATOM 799 CG2 THR A 51 -40.141 31.060 11.328 1.00 0.00 C ATOM 0 H THR A 51 -41.735 28.541 8.126 1.00 0.00 H new ATOM 0 HA THR A 51 -40.898 31.274 8.942 1.00 0.00 H new ATOM 0 HB THR A 51 -39.948 29.019 10.671 1.00 0.00 H new ATOM 0 HG1 THR A 51 -41.844 29.236 12.004 1.00 0.00 H new ATOM 0 HG21 THR A 51 -40.065 30.809 12.386 1.00 0.00 H new ATOM 0 HG22 THR A 51 -39.160 31.350 10.952 1.00 0.00 H new ATOM 0 HG23 THR A 51 -40.837 31.889 11.201 1.00 0.00 H new ATOM 807 N GLU A 52 -38.405 30.522 8.525 1.00 0.00 N ATOM 808 CA GLU A 52 -37.111 30.157 7.874 1.00 0.00 C ATOM 809 C GLU A 52 -35.992 30.105 8.930 1.00 0.00 C ATOM 810 O GLU A 52 -36.178 30.509 10.082 1.00 0.00 O ATOM 811 CB GLU A 52 -36.773 31.196 6.797 1.00 0.00 C ATOM 812 CG GLU A 52 -36.543 32.568 7.445 1.00 0.00 C ATOM 813 CD GLU A 52 -35.496 33.342 6.646 1.00 0.00 C ATOM 814 OE1 GLU A 52 -34.321 33.150 6.910 1.00 0.00 O ATOM 815 OE2 GLU A 52 -35.888 34.110 5.785 1.00 0.00 O ATOM 0 H GLU A 52 -38.381 31.372 9.088 1.00 0.00 H new ATOM 0 HA GLU A 52 -37.201 29.175 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -35.881 30.889 6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -37.585 31.258 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -37.478 33.128 7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -36.210 32.444 8.476 1.00 0.00 H new ATOM 822 N GLY A 53 -34.839 29.607 8.565 1.00 0.00 N ATOM 823 CA GLY A 53 -33.709 29.520 9.544 1.00 0.00 C ATOM 824 C GLY A 53 -32.372 29.507 8.798 1.00 0.00 C ATOM 825 O GLY A 53 -32.063 28.566 8.073 1.00 0.00 O ATOM 0 H GLY A 53 -34.629 29.256 7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -33.744 30.367 10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -33.808 28.617 10.147 1.00 0.00 H new ATOM 829 N GLU A 54 -31.584 30.538 8.964 1.00 0.00 N ATOM 830 CA GLU A 54 -30.250 30.627 8.272 1.00 0.00 C ATOM 831 C GLU A 54 -29.438 29.328 8.468 1.00 0.00 C ATOM 832 O GLU A 54 -29.355 28.484 7.575 1.00 0.00 O ATOM 833 CB GLU A 54 -29.486 31.836 8.854 1.00 0.00 C ATOM 834 CG GLU A 54 -27.982 31.773 8.495 1.00 0.00 C ATOM 835 CD GLU A 54 -27.107 31.475 9.732 1.00 0.00 C ATOM 836 OE1 GLU A 54 -27.644 31.199 10.795 1.00 0.00 O ATOM 837 OE2 GLU A 54 -25.902 31.520 9.588 1.00 0.00 O ATOM 0 H GLU A 54 -31.807 31.337 9.558 1.00 0.00 H new ATOM 0 HA GLU A 54 -30.400 30.757 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -29.916 32.761 8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -29.603 31.856 9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -27.821 31.002 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -27.674 32.720 8.052 1.00 0.00 H new ATOM 844 N GLY A 55 -28.832 29.160 9.611 1.00 0.00 N ATOM 845 CA GLY A 55 -28.006 27.938 9.863 1.00 0.00 C ATOM 846 C GLY A 55 -26.680 28.045 9.099 1.00 0.00 C ATOM 847 O GLY A 55 -26.594 27.646 7.943 1.00 0.00 O ATOM 0 H GLY A 55 -28.872 29.819 10.388 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -27.814 27.830 10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -28.549 27.048 9.545 1.00 0.00 H new ATOM 943 N LYS A 62 -30.482 23.341 11.537 1.00 0.00 N ATOM 944 CA LYS A 62 -31.527 22.503 12.213 1.00 0.00 C ATOM 945 C LYS A 62 -31.735 22.935 13.681 1.00 0.00 C ATOM 946 O LYS A 62 -32.709 22.539 14.318 1.00 0.00 O ATOM 947 CB LYS A 62 -31.105 21.030 12.148 1.00 0.00 C ATOM 948 CG LYS A 62 -31.177 20.550 10.692 1.00 0.00 C ATOM 949 CD LYS A 62 -29.907 19.764 10.338 1.00 0.00 C ATOM 950 CE LYS A 62 -29.463 20.117 8.916 1.00 0.00 C ATOM 951 NZ LYS A 62 -28.566 21.307 8.965 1.00 0.00 N ATOM 0 HA LYS A 62 -32.476 22.642 11.694 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -30.092 20.912 12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -31.758 20.424 12.776 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -32.056 19.921 10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -31.285 21.404 10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -29.113 19.999 11.046 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -30.097 18.693 10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -28.943 19.272 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -30.332 20.327 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -28.261 21.552 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -29.078 22.111 9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -27.732 21.089 9.547 1.00 0.00 H new ATOM 965 N LYS A 63 -30.859 23.745 14.226 1.00 0.00 N ATOM 966 CA LYS A 63 -31.036 24.207 15.638 1.00 0.00 C ATOM 967 C LYS A 63 -31.613 25.633 15.636 1.00 0.00 C ATOM 968 O LYS A 63 -32.699 25.875 16.150 1.00 0.00 O ATOM 969 CB LYS A 63 -29.678 24.195 16.359 1.00 0.00 C ATOM 970 CG LYS A 63 -29.867 23.769 17.822 1.00 0.00 C ATOM 971 CD LYS A 63 -30.473 24.927 18.631 1.00 0.00 C ATOM 972 CE LYS A 63 -29.372 25.675 19.390 1.00 0.00 C ATOM 973 NZ LYS A 63 -29.848 25.987 20.772 1.00 0.00 N ATOM 0 H LYS A 63 -30.030 24.106 13.754 1.00 0.00 H new ATOM 0 HA LYS A 63 -31.722 23.539 16.159 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -28.996 23.509 15.857 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -29.224 25.185 16.315 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -30.519 22.897 17.874 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -28.909 23.477 18.251 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -30.995 25.613 17.963 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -31.212 24.542 19.334 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -28.468 25.068 19.433 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -29.114 26.595 18.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -29.075 25.828 21.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -30.150 26.981 20.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -30.650 25.370 21.010 1.00 0.00 H new ATOM 987 N ARG A 64 -30.905 26.572 15.053 1.00 0.00 N ATOM 988 CA ARG A 64 -31.390 27.990 14.997 1.00 0.00 C ATOM 989 C ARG A 64 -32.772 28.052 14.329 1.00 0.00 C ATOM 990 O ARG A 64 -33.687 28.719 14.820 1.00 0.00 O ATOM 991 CB ARG A 64 -30.378 28.829 14.196 1.00 0.00 C ATOM 992 CG ARG A 64 -30.851 30.286 14.090 1.00 0.00 C ATOM 993 CD ARG A 64 -31.016 30.889 15.488 1.00 0.00 C ATOM 994 NE ARG A 64 -29.713 30.811 16.226 1.00 0.00 N ATOM 995 CZ ARG A 64 -29.630 31.260 17.434 1.00 0.00 C ATOM 996 NH1 ARG A 64 -30.228 30.641 18.394 1.00 0.00 N ATOM 997 NH2 ARG A 64 -28.942 32.325 17.673 1.00 0.00 N ATOM 0 H ARG A 64 -30.001 26.415 14.608 1.00 0.00 H new ATOM 0 HA ARG A 64 -31.479 28.387 16.008 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -29.402 28.792 14.680 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -30.255 28.407 13.199 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -30.131 30.869 13.517 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -31.798 30.331 13.552 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -31.341 31.927 15.412 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -31.790 30.353 16.038 1.00 0.00 H new ATOM 0 HE ARG A 64 -28.894 30.404 15.775 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -30.766 29.797 18.199 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -30.163 30.995 19.348 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -28.467 32.807 16.910 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -28.873 32.684 18.625 1.00 0.00 H new ATOM 1011 N ALA A 65 -32.945 27.368 13.226 1.00 0.00 N ATOM 1012 CA ALA A 65 -34.268 27.380 12.533 1.00 0.00 C ATOM 1013 C ALA A 65 -35.352 26.841 13.487 1.00 0.00 C ATOM 1014 O ALA A 65 -36.423 27.431 13.643 1.00 0.00 O ATOM 1015 CB ALA A 65 -34.190 26.491 11.286 1.00 0.00 C ATOM 0 H ALA A 65 -32.226 26.802 12.776 1.00 0.00 H new ATOM 0 HA ALA A 65 -34.522 28.399 12.240 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -35.153 26.495 10.775 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -33.421 26.873 10.614 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -33.940 25.472 11.581 1.00 0.00 H new ATOM 1021 N ALA A 66 -35.081 25.732 14.131 1.00 0.00 N ATOM 1022 CA ALA A 66 -36.071 25.138 15.083 1.00 0.00 C ATOM 1023 C ALA A 66 -36.250 26.054 16.303 1.00 0.00 C ATOM 1024 O ALA A 66 -37.353 26.201 16.821 1.00 0.00 O ATOM 1025 CB ALA A 66 -35.561 23.769 15.546 1.00 0.00 C ATOM 0 H ALA A 66 -34.210 25.209 14.037 1.00 0.00 H new ATOM 0 HA ALA A 66 -37.032 25.029 14.579 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -36.277 23.330 16.240 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -35.443 23.114 14.683 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -34.599 23.889 16.045 1.00 0.00 H new ATOM 1031 N GLU A 67 -35.191 26.664 16.774 1.00 0.00 N ATOM 1032 CA GLU A 67 -35.300 27.566 17.965 1.00 0.00 C ATOM 1033 C GLU A 67 -36.379 28.626 17.729 1.00 0.00 C ATOM 1034 O GLU A 67 -37.275 28.817 18.554 1.00 0.00 O ATOM 1035 CB GLU A 67 -33.948 28.241 18.217 1.00 0.00 C ATOM 1036 CG GLU A 67 -33.020 27.250 18.933 1.00 0.00 C ATOM 1037 CD GLU A 67 -31.628 27.852 19.106 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -30.971 28.094 18.109 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -31.221 28.044 20.239 1.00 0.00 O ATOM 0 H GLU A 67 -34.252 26.577 16.385 1.00 0.00 H new ATOM 0 HA GLU A 67 -35.579 26.976 18.838 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -33.504 28.558 17.273 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -34.082 29.137 18.823 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -33.435 26.993 19.907 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -32.954 26.325 18.360 1.00 0.00 H new ATOM 1046 N LYS A 68 -36.325 29.312 16.620 1.00 0.00 N ATOM 1047 CA LYS A 68 -37.363 30.351 16.340 1.00 0.00 C ATOM 1048 C LYS A 68 -38.740 29.683 16.172 1.00 0.00 C ATOM 1049 O LYS A 68 -39.749 30.178 16.664 1.00 0.00 O ATOM 1050 CB LYS A 68 -37.001 31.127 15.067 1.00 0.00 C ATOM 1051 CG LYS A 68 -37.712 32.484 15.096 1.00 0.00 C ATOM 1052 CD LYS A 68 -37.823 33.049 13.673 1.00 0.00 C ATOM 1053 CE LYS A 68 -39.282 33.419 13.364 1.00 0.00 C ATOM 1054 NZ LYS A 68 -39.808 34.348 14.409 1.00 0.00 N ATOM 0 H LYS A 68 -35.613 29.201 15.898 1.00 0.00 H new ATOM 0 HA LYS A 68 -37.403 31.046 17.179 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -35.922 31.268 15.005 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -37.300 30.563 14.183 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -38.705 32.374 15.531 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -37.161 33.179 15.730 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -37.187 33.929 13.572 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -37.466 32.313 12.952 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -39.346 33.889 12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -39.894 32.518 13.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -40.526 34.972 13.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -40.237 33.797 15.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -39.028 34.923 14.787 1.00 0.00 H new ATOM 1068 N MET A 69 -38.805 28.564 15.497 1.00 0.00 N ATOM 1069 CA MET A 69 -40.123 27.878 15.316 1.00 0.00 C ATOM 1070 C MET A 69 -40.677 27.428 16.681 1.00 0.00 C ATOM 1071 O MET A 69 -41.862 27.583 16.969 1.00 0.00 O ATOM 1072 CB MET A 69 -39.941 26.657 14.404 1.00 0.00 C ATOM 1073 CG MET A 69 -41.052 26.633 13.351 1.00 0.00 C ATOM 1074 SD MET A 69 -41.515 24.919 13.003 1.00 0.00 S ATOM 1075 CE MET A 69 -42.110 25.184 11.313 1.00 0.00 C ATOM 0 H MET A 69 -38.008 28.097 15.065 1.00 0.00 H new ATOM 0 HA MET A 69 -40.829 28.573 14.860 1.00 0.00 H new ATOM 0 HB2 MET A 69 -38.966 26.695 13.918 1.00 0.00 H new ATOM 0 HB3 MET A 69 -39.967 25.742 14.995 1.00 0.00 H new ATOM 0 HG2 MET A 69 -41.918 27.190 13.708 1.00 0.00 H new ATOM 0 HG3 MET A 69 -40.713 27.122 12.438 1.00 0.00 H new ATOM 0 HE1 MET A 69 -43.143 24.845 11.234 1.00 0.00 H new ATOM 0 HE2 MET A 69 -42.057 26.245 11.071 1.00 0.00 H new ATOM 0 HE3 MET A 69 -41.489 24.621 10.616 1.00 0.00 H new ATOM 1085 N LEU A 70 -39.846 26.874 17.525 1.00 0.00 N ATOM 1086 CA LEU A 70 -40.320 26.407 18.867 1.00 0.00 C ATOM 1087 C LEU A 70 -40.887 27.584 19.677 1.00 0.00 C ATOM 1088 O LEU A 70 -41.981 27.492 20.235 1.00 0.00 O ATOM 1089 CB LEU A 70 -39.152 25.764 19.622 1.00 0.00 C ATOM 1090 CG LEU A 70 -38.915 24.343 19.099 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -37.915 23.634 20.005 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -40.229 23.558 19.100 1.00 0.00 C ATOM 0 H LEU A 70 -38.854 26.723 17.344 1.00 0.00 H new ATOM 0 HA LEU A 70 -41.113 25.672 18.729 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -38.251 26.363 19.494 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -39.368 25.737 20.690 1.00 0.00 H new ATOM 0 HG LEU A 70 -38.527 24.398 18.082 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -37.744 22.623 19.636 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -36.974 24.184 20.008 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -38.312 23.588 21.019 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -40.051 22.550 18.727 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -40.620 23.505 20.116 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -40.953 24.060 18.458 1.00 0.00 H new ATOM 1104 N VAL A 71 -40.184 28.689 19.751 1.00 0.00 N ATOM 1105 CA VAL A 71 -40.714 29.858 20.518 1.00 0.00 C ATOM 1106 C VAL A 71 -42.049 30.315 19.897 1.00 0.00 C ATOM 1107 O VAL A 71 -42.924 30.836 20.590 1.00 0.00 O ATOM 1108 CB VAL A 71 -39.694 31.007 20.502 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -38.418 30.575 21.226 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -39.339 31.385 19.066 1.00 0.00 C ATOM 0 H VAL A 71 -39.272 28.831 19.316 1.00 0.00 H new ATOM 0 HA VAL A 71 -40.884 29.565 21.554 1.00 0.00 H new ATOM 0 HB VAL A 71 -40.137 31.867 21.004 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -37.697 31.393 21.212 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -38.655 30.317 22.258 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -37.991 29.707 20.724 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -38.616 32.200 19.073 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -38.908 30.522 18.558 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -40.239 31.703 18.540 1.00 0.00 H new ATOM 1120 N GLU A 72 -42.234 30.099 18.613 1.00 0.00 N ATOM 1121 CA GLU A 72 -43.520 30.489 17.954 1.00 0.00 C ATOM 1122 C GLU A 72 -44.587 29.442 18.310 1.00 0.00 C ATOM 1123 O GLU A 72 -45.613 29.751 18.922 1.00 0.00 O ATOM 1124 CB GLU A 72 -43.317 30.528 16.432 1.00 0.00 C ATOM 1125 CG GLU A 72 -43.357 31.977 15.931 1.00 0.00 C ATOM 1126 CD GLU A 72 -42.048 32.316 15.220 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -41.913 31.973 14.058 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -41.198 32.931 15.844 1.00 0.00 O ATOM 0 H GLU A 72 -41.547 29.668 17.994 1.00 0.00 H new ATOM 0 HA GLU A 72 -43.839 31.473 18.297 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -42.361 30.072 16.173 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -44.093 29.943 15.939 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -44.197 32.113 15.250 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -43.513 32.657 16.769 1.00 0.00 H new ATOM 1135 N LEU A 73 -44.346 28.202 17.951 1.00 0.00 N ATOM 1136 CA LEU A 73 -45.305 27.097 18.261 1.00 0.00 C ATOM 1137 C LEU A 73 -45.612 27.053 19.769 1.00 0.00 C ATOM 1138 O LEU A 73 -46.651 26.555 20.191 1.00 0.00 O ATOM 1139 CB LEU A 73 -44.668 25.774 17.829 1.00 0.00 C ATOM 1140 CG LEU A 73 -44.910 25.548 16.336 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -44.159 26.589 15.512 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -44.402 24.166 15.950 1.00 0.00 C ATOM 0 H LEU A 73 -43.510 27.906 17.447 1.00 0.00 H new ATOM 0 HA LEU A 73 -46.240 27.265 17.727 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -43.598 25.790 18.035 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -45.091 24.951 18.404 1.00 0.00 H new ATOM 0 HG LEU A 73 -45.979 25.632 16.138 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -44.341 26.414 14.452 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -44.507 27.586 15.781 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -43.091 26.511 15.714 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -44.572 24.000 14.886 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -43.335 24.098 16.162 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -44.935 23.409 16.525 1.00 0.00 H new ATOM 1154 N GLN A 74 -44.727 27.564 20.590 1.00 0.00 N ATOM 1155 CA GLN A 74 -44.970 27.562 22.068 1.00 0.00 C ATOM 1156 C GLN A 74 -46.317 28.240 22.376 1.00 0.00 C ATOM 1157 O GLN A 74 -47.034 27.842 23.293 1.00 0.00 O ATOM 1158 CB GLN A 74 -43.835 28.324 22.764 1.00 0.00 C ATOM 1159 CG GLN A 74 -43.184 27.428 23.827 1.00 0.00 C ATOM 1160 CD GLN A 74 -42.819 28.259 25.060 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -43.323 28.016 26.147 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -41.964 29.229 24.953 1.00 0.00 N ATOM 0 H GLN A 74 -43.844 27.984 20.300 1.00 0.00 H new ATOM 0 HA GLN A 74 -44.999 26.535 22.432 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -43.090 28.635 22.031 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -44.224 29.231 23.228 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -43.868 26.627 24.108 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -42.290 26.956 23.419 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -41.540 29.437 24.049 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -41.716 29.783 25.773 1.00 0.00 H new ATOM 1171 N LYS A 75 -46.676 29.253 21.626 1.00 0.00 N ATOM 1172 CA LYS A 75 -47.976 29.950 21.876 1.00 0.00 C ATOM 1173 C LYS A 75 -48.972 29.659 20.742 1.00 0.00 C ATOM 1174 O LYS A 75 -50.180 29.623 20.965 1.00 0.00 O ATOM 1175 CB LYS A 75 -47.728 31.456 21.972 1.00 0.00 C ATOM 1176 CG LYS A 75 -47.736 31.873 23.442 1.00 0.00 C ATOM 1177 CD LYS A 75 -47.404 33.361 23.546 1.00 0.00 C ATOM 1178 CE LYS A 75 -46.950 33.690 24.966 1.00 0.00 C ATOM 1179 NZ LYS A 75 -46.470 35.103 25.003 1.00 0.00 N ATOM 0 H LYS A 75 -46.126 29.627 20.853 1.00 0.00 H new ATOM 0 HA LYS A 75 -48.401 29.584 22.811 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -46.771 31.709 21.515 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -48.497 31.999 21.423 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -48.713 31.675 23.883 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -47.008 31.286 24.002 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -46.620 33.619 22.834 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -48.279 33.957 23.286 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -47.774 33.553 25.667 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -46.153 33.013 25.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -46.158 35.338 25.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -45.674 35.217 24.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -47.244 35.740 24.724 1.00 0.00 H new ATOM 1193 N LEU A 76 -48.494 29.457 19.541 1.00 0.00 N ATOM 1194 CA LEU A 76 -49.410 29.173 18.401 1.00 0.00 C ATOM 1195 C LEU A 76 -49.507 27.654 18.179 1.00 0.00 C ATOM 1196 O LEU A 76 -50.558 27.101 18.447 1.00 0.00 O ATOM 1197 CB LEU A 76 -48.859 29.852 17.145 1.00 0.00 C ATOM 1198 CG LEU A 76 -49.137 31.353 17.206 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -48.353 32.055 16.104 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -50.630 31.606 17.002 1.00 0.00 C ATOM 1201 OXT LEU A 76 -48.522 27.056 17.770 1.00 0.00 O ATOM 0 H LEU A 76 -47.503 29.477 19.302 1.00 0.00 H new ATOM 0 HA LEU A 76 -50.406 29.559 18.619 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -47.787 29.674 17.065 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -49.321 29.423 16.256 1.00 0.00 H new ATOM 0 HG LEU A 76 -48.833 31.739 18.179 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -48.549 33.127 16.144 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -47.287 31.875 16.245 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -48.661 31.666 15.134 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -50.827 32.677 17.046 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -50.935 31.221 16.029 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -51.195 31.101 17.785 1.00 0.00 H new