USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=10 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 154:sc= 1.76 USER MOD Set 1.2: A 51 THR OG1 : rot 52:sc= -2.72! USER MOD Set 1.3: A 69 MET CE :methyl 137:sc= -3.72 (180deg=-6.46!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0867 USER MOD Single : A 12 GLN : amide:sc= 0.306 K(o=0.31,f=-5!) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.294 F(o=-2.2,f=-0.29) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.92 K(o=0.92,f=-0.16) USER MOD Single : A 22 MET CE :methyl 180:sc= -0.0617 (180deg=-0.0617) USER MOD Single : A 23 THR OG1 : rot 104:sc= -1.2! USER MOD Single : A 25 HIS : no HD1:sc= -3.16! C(o=-3.2!,f=-4.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 48 SER OG : rot 180:sc=-0.00455 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -105:sc= 0.553! (180deg=-2.13!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 0.726 (180deg=0.669) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -32.591 18.229 18.655 1.00 0.00 N ATOM 122 CA PRO A 9 -33.888 17.572 18.940 1.00 0.00 C ATOM 123 C PRO A 9 -34.908 17.794 17.805 1.00 0.00 C ATOM 124 O PRO A 9 -35.752 18.687 17.867 1.00 0.00 O ATOM 125 CB PRO A 9 -34.348 18.243 20.239 1.00 0.00 C ATOM 126 CG PRO A 9 -33.610 19.601 20.317 1.00 0.00 C ATOM 127 CD PRO A 9 -32.368 19.482 19.414 1.00 0.00 C ATOM 0 HA PRO A 9 -33.797 16.489 19.025 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -35.428 18.388 20.239 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -34.109 17.622 21.102 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -34.256 20.412 19.982 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -33.322 19.827 21.344 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -32.276 20.340 18.748 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -31.451 19.434 20.002 1.00 0.00 H new ATOM 135 N ILE A 10 -34.855 16.984 16.779 1.00 0.00 N ATOM 136 CA ILE A 10 -35.828 17.126 15.644 1.00 0.00 C ATOM 137 C ILE A 10 -37.064 16.260 15.916 1.00 0.00 C ATOM 138 O ILE A 10 -38.199 16.717 15.784 1.00 0.00 O ATOM 139 CB ILE A 10 -35.159 16.682 14.335 1.00 0.00 C ATOM 140 CG1 ILE A 10 -33.918 17.544 14.069 1.00 0.00 C ATOM 141 CG2 ILE A 10 -36.142 16.843 13.173 1.00 0.00 C ATOM 142 CD1 ILE A 10 -34.327 19.013 13.911 1.00 0.00 C ATOM 0 H ILE A 10 -34.179 16.227 16.674 1.00 0.00 H new ATOM 0 HA ILE A 10 -36.133 18.169 15.555 1.00 0.00 H new ATOM 0 HB ILE A 10 -34.865 15.636 14.423 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -33.210 17.441 14.891 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -33.412 17.199 13.167 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -35.664 16.527 12.246 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -37.024 16.228 13.355 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -36.439 17.888 13.090 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -33.441 19.619 13.722 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -35.018 19.110 13.074 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -34.813 19.356 14.824 1.00 0.00 H new ATOM 154 N SER A 11 -36.870 15.022 16.300 1.00 0.00 N ATOM 155 CA SER A 11 -38.035 14.122 16.586 1.00 0.00 C ATOM 156 C SER A 11 -39.026 14.827 17.519 1.00 0.00 C ATOM 157 O SER A 11 -40.183 15.027 17.165 1.00 0.00 O ATOM 158 CB SER A 11 -37.537 12.833 17.248 1.00 0.00 C ATOM 159 OG SER A 11 -36.216 12.552 16.787 1.00 0.00 O ATOM 0 H SER A 11 -35.953 14.593 16.429 1.00 0.00 H new ATOM 0 HA SER A 11 -38.537 13.881 15.649 1.00 0.00 H new ATOM 0 HB2 SER A 11 -37.542 12.941 18.333 1.00 0.00 H new ATOM 0 HB3 SER A 11 -38.203 12.005 17.007 1.00 0.00 H new ATOM 0 HG SER A 11 -35.891 11.729 17.208 1.00 0.00 H new ATOM 165 N GLN A 12 -38.592 15.215 18.694 1.00 0.00 N ATOM 166 CA GLN A 12 -39.508 15.912 19.656 1.00 0.00 C ATOM 167 C GLN A 12 -40.212 17.093 18.971 1.00 0.00 C ATOM 168 O GLN A 12 -41.391 17.348 19.207 1.00 0.00 O ATOM 169 CB GLN A 12 -38.701 16.408 20.857 1.00 0.00 C ATOM 170 CG GLN A 12 -38.318 15.206 21.731 1.00 0.00 C ATOM 171 CD GLN A 12 -36.896 14.748 21.399 1.00 0.00 C ATOM 172 OE1 GLN A 12 -36.287 15.213 20.440 1.00 0.00 O ATOM 173 NE2 GLN A 12 -36.327 13.851 22.144 1.00 0.00 N ATOM 0 H GLN A 12 -37.639 15.079 19.031 1.00 0.00 H new ATOM 0 HA GLN A 12 -40.269 15.209 19.994 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -37.805 16.929 20.520 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -39.287 17.123 21.435 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -38.385 15.476 22.785 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -39.020 14.388 21.567 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -36.826 13.460 22.943 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -35.380 13.537 21.931 1.00 0.00 H new ATOM 182 N VAL A 13 -39.530 17.808 18.111 1.00 0.00 N ATOM 183 CA VAL A 13 -40.195 18.947 17.402 1.00 0.00 C ATOM 184 C VAL A 13 -41.340 18.378 16.560 1.00 0.00 C ATOM 185 O VAL A 13 -42.468 18.874 16.592 1.00 0.00 O ATOM 186 CB VAL A 13 -39.188 19.663 16.492 1.00 0.00 C ATOM 187 CG1 VAL A 13 -39.910 20.717 15.652 1.00 0.00 C ATOM 188 CG2 VAL A 13 -38.123 20.354 17.342 1.00 0.00 C ATOM 0 H VAL A 13 -38.551 17.655 17.870 1.00 0.00 H new ATOM 0 HA VAL A 13 -40.576 19.667 18.126 1.00 0.00 H new ATOM 0 HB VAL A 13 -38.718 18.928 15.839 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -39.192 21.223 15.007 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -40.671 20.235 15.039 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -40.383 21.446 16.310 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -37.410 20.861 16.691 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -38.598 21.084 17.998 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -37.600 19.611 17.944 1.00 0.00 H new ATOM 198 N HIS A 14 -41.075 17.323 15.835 1.00 0.00 N ATOM 199 CA HIS A 14 -42.139 16.679 15.018 1.00 0.00 C ATOM 200 C HIS A 14 -43.208 16.120 15.969 1.00 0.00 C ATOM 201 O HIS A 14 -44.406 16.224 15.715 1.00 0.00 O ATOM 202 CB HIS A 14 -41.514 15.543 14.205 1.00 0.00 C ATOM 203 CG HIS A 14 -40.705 16.115 13.071 1.00 0.00 C ATOM 204 ND1 HIS A 14 -39.513 16.801 13.041 1.00 0.00 N flip ATOM 205 CD2 HIS A 14 -41.113 16.010 11.753 1.00 0.00 C flip ATOM 206 CE1 HIS A 14 -39.188 17.115 11.725 1.00 0.00 C flip ATOM 207 NE2 HIS A 14 -40.184 16.616 10.990 1.00 0.00 N flip ATOM 0 H HIS A 14 -40.159 16.878 15.775 1.00 0.00 H new ATOM 0 HA HIS A 14 -42.596 17.398 14.338 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -40.878 14.932 14.846 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -42.295 14.890 13.814 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -38.953 17.043 13.859 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -42.013 15.529 11.400 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -38.317 17.648 11.374 1.00 0.00 H new ATOM 215 N GLU A 15 -42.787 15.549 17.071 1.00 0.00 N ATOM 216 CA GLU A 15 -43.750 14.995 18.069 1.00 0.00 C ATOM 217 C GLU A 15 -44.669 16.119 18.568 1.00 0.00 C ATOM 218 O GLU A 15 -45.892 16.022 18.490 1.00 0.00 O ATOM 219 CB GLU A 15 -42.969 14.418 19.257 1.00 0.00 C ATOM 220 CG GLU A 15 -42.262 13.114 18.846 1.00 0.00 C ATOM 221 CD GLU A 15 -40.965 12.932 19.646 1.00 0.00 C ATOM 222 OE1 GLU A 15 -40.983 13.165 20.845 1.00 0.00 O ATOM 223 OE2 GLU A 15 -39.975 12.560 19.046 1.00 0.00 O ATOM 0 H GLU A 15 -41.804 15.443 17.323 1.00 0.00 H new ATOM 0 HA GLU A 15 -44.348 14.211 17.604 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -42.235 15.144 19.606 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -43.647 14.226 20.089 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -42.924 12.265 19.017 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -42.039 13.135 17.779 1.00 0.00 H new ATOM 230 N ILE A 16 -44.101 17.191 19.069 1.00 0.00 N ATOM 231 CA ILE A 16 -44.937 18.329 19.570 1.00 0.00 C ATOM 232 C ILE A 16 -45.703 18.958 18.399 1.00 0.00 C ATOM 233 O ILE A 16 -46.862 19.348 18.536 1.00 0.00 O ATOM 234 CB ILE A 16 -44.032 19.386 20.218 1.00 0.00 C ATOM 235 CG1 ILE A 16 -43.326 18.786 21.437 1.00 0.00 C ATOM 236 CG2 ILE A 16 -44.875 20.579 20.671 1.00 0.00 C ATOM 237 CD1 ILE A 16 -42.061 19.592 21.740 1.00 0.00 C ATOM 0 H ILE A 16 -43.094 17.327 19.153 1.00 0.00 H new ATOM 0 HA ILE A 16 -45.647 17.958 20.309 1.00 0.00 H new ATOM 0 HB ILE A 16 -43.292 19.713 19.488 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -43.993 18.797 22.299 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -43.069 17.744 21.246 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -44.229 21.327 21.131 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -45.380 21.016 19.809 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -45.617 20.246 21.396 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -41.557 19.166 22.608 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -41.393 19.558 20.879 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -42.331 20.627 21.949 1.00 0.00 H new ATOM 249 N GLY A 17 -45.082 19.065 17.252 1.00 0.00 N ATOM 250 CA GLY A 17 -45.779 19.662 16.071 1.00 0.00 C ATOM 251 C GLY A 17 -46.992 18.801 15.710 1.00 0.00 C ATOM 252 O GLY A 17 -48.126 19.273 15.717 1.00 0.00 O ATOM 0 H GLY A 17 -44.122 18.765 17.081 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -46.096 20.680 16.298 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -45.096 19.722 15.223 1.00 0.00 H new ATOM 256 N ILE A 18 -46.782 17.542 15.420 1.00 0.00 N ATOM 257 CA ILE A 18 -47.933 16.644 15.085 1.00 0.00 C ATOM 258 C ILE A 18 -48.888 16.601 16.291 1.00 0.00 C ATOM 259 O ILE A 18 -50.105 16.702 16.143 1.00 0.00 O ATOM 260 CB ILE A 18 -47.406 15.234 14.758 1.00 0.00 C ATOM 261 CG1 ILE A 18 -47.049 15.156 13.271 1.00 0.00 C ATOM 262 CG2 ILE A 18 -48.478 14.184 15.061 1.00 0.00 C ATOM 263 CD1 ILE A 18 -45.604 15.613 13.063 1.00 0.00 C ATOM 0 H ILE A 18 -45.865 17.096 15.400 1.00 0.00 H new ATOM 0 HA ILE A 18 -48.470 17.021 14.214 1.00 0.00 H new ATOM 0 HB ILE A 18 -46.525 15.040 15.369 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -47.173 14.135 12.910 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -47.726 15.783 12.691 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -48.093 13.192 14.825 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -48.743 14.229 16.117 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -49.363 14.382 14.456 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -45.353 15.556 12.004 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -45.495 16.641 13.407 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -44.933 14.967 13.630 1.00 0.00 H new ATOM 275 N LYS A 19 -48.353 16.478 17.482 1.00 0.00 N ATOM 276 CA LYS A 19 -49.214 16.453 18.707 1.00 0.00 C ATOM 277 C LYS A 19 -50.082 17.722 18.757 1.00 0.00 C ATOM 278 O LYS A 19 -51.219 17.697 19.224 1.00 0.00 O ATOM 279 CB LYS A 19 -48.317 16.393 19.950 1.00 0.00 C ATOM 280 CG LYS A 19 -48.033 14.932 20.310 1.00 0.00 C ATOM 281 CD LYS A 19 -49.053 14.450 21.346 1.00 0.00 C ATOM 282 CE LYS A 19 -48.894 12.944 21.550 1.00 0.00 C ATOM 283 NZ LYS A 19 -49.524 12.548 22.844 1.00 0.00 N ATOM 0 H LYS A 19 -47.352 16.393 17.659 1.00 0.00 H new ATOM 0 HA LYS A 19 -49.863 15.578 18.680 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -47.382 16.920 19.761 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -48.803 16.896 20.786 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -48.086 14.310 19.416 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -47.023 14.835 20.707 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -48.905 14.974 22.290 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -50.065 14.678 21.010 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -49.360 12.403 20.726 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -47.838 12.676 21.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -49.416 11.523 22.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -49.060 13.054 23.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -50.535 12.790 22.826 1.00 0.00 H new ATOM 297 N ARG A 20 -49.568 18.827 18.279 1.00 0.00 N ATOM 298 CA ARG A 20 -50.358 20.097 18.287 1.00 0.00 C ATOM 299 C ARG A 20 -51.013 20.326 16.909 1.00 0.00 C ATOM 300 O ARG A 20 -51.356 21.455 16.554 1.00 0.00 O ATOM 301 CB ARG A 20 -49.418 21.266 18.613 1.00 0.00 C ATOM 302 CG ARG A 20 -49.343 21.464 20.132 1.00 0.00 C ATOM 303 CD ARG A 20 -48.940 22.909 20.445 1.00 0.00 C ATOM 304 NE ARG A 20 -47.448 23.015 20.462 1.00 0.00 N ATOM 305 CZ ARG A 20 -46.858 23.872 21.232 1.00 0.00 C ATOM 306 NH1 ARG A 20 -46.787 25.111 20.883 1.00 0.00 N ATOM 307 NH2 ARG A 20 -46.344 23.481 22.346 1.00 0.00 N ATOM 0 H ARG A 20 -48.632 18.905 17.882 1.00 0.00 H new ATOM 0 HA ARG A 20 -51.144 20.030 19.040 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -48.424 21.067 18.213 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -49.777 22.178 18.135 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -50.308 21.239 20.586 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -48.619 20.773 20.563 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -49.355 23.584 19.697 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -49.348 23.212 21.409 1.00 0.00 H new ATOM 0 HE ARG A 20 -46.891 22.407 19.862 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -47.196 25.416 20.000 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -46.322 25.786 21.490 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -46.403 22.500 22.618 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -45.878 24.153 22.956 1.00 0.00 H new ATOM 321 N ASN A 21 -51.195 19.283 16.128 1.00 0.00 N ATOM 322 CA ASN A 21 -51.828 19.438 14.776 1.00 0.00 C ATOM 323 C ASN A 21 -51.022 20.431 13.911 1.00 0.00 C ATOM 324 O ASN A 21 -51.586 21.212 13.142 1.00 0.00 O ATOM 325 CB ASN A 21 -53.267 19.943 14.951 1.00 0.00 C ATOM 326 CG ASN A 21 -54.118 19.512 13.758 1.00 0.00 C ATOM 327 OD1 ASN A 21 -54.955 18.627 13.874 1.00 0.00 O ATOM 328 ND2 ASN A 21 -53.948 20.087 12.609 1.00 0.00 N ATOM 0 H ASN A 21 -50.931 18.328 16.371 1.00 0.00 H new ATOM 0 HA ASN A 21 -51.835 18.472 14.271 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -53.691 19.546 15.873 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -53.272 21.029 15.039 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -54.510 19.801 11.808 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -53.252 20.825 12.506 1.00 0.00 H new ATOM 335 N MET A 22 -49.718 20.418 14.017 1.00 0.00 N ATOM 336 CA MET A 22 -48.888 21.360 13.205 1.00 0.00 C ATOM 337 C MET A 22 -48.254 20.623 12.013 1.00 0.00 C ATOM 338 O MET A 22 -48.087 19.406 12.024 1.00 0.00 O ATOM 339 CB MET A 22 -47.791 21.954 14.095 1.00 0.00 C ATOM 340 CG MET A 22 -48.386 23.068 14.961 1.00 0.00 C ATOM 341 SD MET A 22 -48.840 24.470 13.910 1.00 0.00 S ATOM 342 CE MET A 22 -48.574 25.770 15.141 1.00 0.00 C ATOM 0 H MET A 22 -49.191 19.796 14.631 1.00 0.00 H new ATOM 0 HA MET A 22 -49.522 22.158 12.819 1.00 0.00 H new ATOM 0 HB2 MET A 22 -47.360 21.178 14.727 1.00 0.00 H new ATOM 0 HB3 MET A 22 -46.983 22.349 13.480 1.00 0.00 H new ATOM 0 HG2 MET A 22 -49.263 22.700 15.494 1.00 0.00 H new ATOM 0 HG3 MET A 22 -47.664 23.383 15.714 1.00 0.00 H new ATOM 0 HE1 MET A 22 -48.799 26.741 14.699 1.00 0.00 H new ATOM 0 HE2 MET A 22 -49.228 25.600 15.997 1.00 0.00 H new ATOM 0 HE3 MET A 22 -47.535 25.753 15.469 1.00 0.00 H new ATOM 352 N THR A 23 -47.907 21.348 10.980 1.00 0.00 N ATOM 353 CA THR A 23 -47.290 20.713 9.763 1.00 0.00 C ATOM 354 C THR A 23 -45.897 20.160 10.086 1.00 0.00 C ATOM 355 O THR A 23 -45.614 18.987 9.859 1.00 0.00 O ATOM 356 CB THR A 23 -47.159 21.760 8.651 1.00 0.00 C ATOM 357 OG1 THR A 23 -46.542 22.927 9.178 1.00 0.00 O ATOM 358 CG2 THR A 23 -48.541 22.124 8.113 1.00 0.00 C ATOM 0 H THR A 23 -48.023 22.360 10.922 1.00 0.00 H new ATOM 0 HA THR A 23 -47.933 19.894 9.440 1.00 0.00 H new ATOM 0 HB THR A 23 -46.554 21.351 7.842 1.00 0.00 H new ATOM 0 HG1 THR A 23 -45.606 22.961 8.890 1.00 0.00 H new ATOM 0 HG21 THR A 23 -48.440 22.868 7.323 1.00 0.00 H new ATOM 0 HG22 THR A 23 -49.022 21.232 7.711 1.00 0.00 H new ATOM 0 HG23 THR A 23 -49.150 22.532 8.920 1.00 0.00 H new ATOM 366 N VAL A 24 -45.021 20.990 10.593 1.00 0.00 N ATOM 367 CA VAL A 24 -43.627 20.536 10.926 1.00 0.00 C ATOM 368 C VAL A 24 -42.893 20.119 9.640 1.00 0.00 C ATOM 369 O VAL A 24 -42.549 18.953 9.445 1.00 0.00 O ATOM 370 CB VAL A 24 -43.672 19.345 11.896 1.00 0.00 C ATOM 371 CG1 VAL A 24 -42.291 19.142 12.519 1.00 0.00 C ATOM 372 CG2 VAL A 24 -44.681 19.613 13.010 1.00 0.00 C ATOM 0 H VAL A 24 -45.209 21.972 10.794 1.00 0.00 H new ATOM 0 HA VAL A 24 -43.095 21.362 11.399 1.00 0.00 H new ATOM 0 HB VAL A 24 -43.969 18.453 11.344 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -42.323 18.297 13.207 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -41.563 18.942 11.733 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -42.001 20.042 13.062 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -44.705 18.763 13.692 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -44.389 20.509 13.558 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -45.671 19.759 12.577 1.00 0.00 H new ATOM 382 N HIS A 25 -42.645 21.044 8.753 1.00 0.00 N ATOM 383 CA HIS A 25 -41.933 20.684 7.487 1.00 0.00 C ATOM 384 C HIS A 25 -40.519 21.285 7.490 1.00 0.00 C ATOM 385 O HIS A 25 -40.331 22.473 7.228 1.00 0.00 O ATOM 386 CB HIS A 25 -42.719 21.214 6.280 1.00 0.00 C ATOM 387 CG HIS A 25 -44.117 20.649 6.274 1.00 0.00 C ATOM 388 ND1 HIS A 25 -44.473 19.521 6.997 1.00 0.00 N ATOM 389 CD2 HIS A 25 -45.257 21.048 5.622 1.00 0.00 C ATOM 390 CE1 HIS A 25 -45.777 19.283 6.763 1.00 0.00 C ATOM 391 NE2 HIS A 25 -46.303 20.184 5.931 1.00 0.00 N ATOM 0 H HIS A 25 -42.901 22.027 8.846 1.00 0.00 H new ATOM 0 HA HIS A 25 -41.858 19.599 7.419 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -42.760 22.303 6.314 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -42.207 20.943 5.357 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -45.331 21.904 4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -46.330 18.463 7.196 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -47.265 20.230 5.594 1.00 0.00 H new ATOM 399 N PHE A 26 -39.527 20.482 7.777 1.00 0.00 N ATOM 400 CA PHE A 26 -38.114 20.983 7.793 1.00 0.00 C ATOM 401 C PHE A 26 -37.490 20.777 6.404 1.00 0.00 C ATOM 402 O PHE A 26 -37.421 19.653 5.906 1.00 0.00 O ATOM 403 CB PHE A 26 -37.305 20.187 8.827 1.00 0.00 C ATOM 404 CG PHE A 26 -37.433 20.818 10.192 1.00 0.00 C ATOM 405 CD1 PHE A 26 -36.590 21.872 10.559 1.00 0.00 C ATOM 406 CD2 PHE A 26 -38.388 20.339 11.095 1.00 0.00 C ATOM 407 CE1 PHE A 26 -36.702 22.448 11.830 1.00 0.00 C ATOM 408 CE2 PHE A 26 -38.502 20.916 12.365 1.00 0.00 C ATOM 409 CZ PHE A 26 -37.659 21.970 12.733 1.00 0.00 C ATOM 0 H PHE A 26 -39.633 19.493 8.003 1.00 0.00 H new ATOM 0 HA PHE A 26 -38.104 22.042 8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -37.659 19.157 8.861 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -36.256 20.154 8.531 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -35.853 22.242 9.862 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -39.037 19.524 10.812 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -36.050 23.261 12.114 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -39.241 20.547 13.061 1.00 0.00 H new ATOM 0 HZ PHE A 26 -37.746 22.415 13.713 1.00 0.00 H new ATOM 419 N LYS A 27 -37.041 21.825 5.760 1.00 0.00 N ATOM 420 CA LYS A 27 -36.437 21.651 4.402 1.00 0.00 C ATOM 421 C LYS A 27 -35.457 22.791 4.078 1.00 0.00 C ATOM 422 O LYS A 27 -35.632 23.935 4.495 1.00 0.00 O ATOM 423 CB LYS A 27 -37.558 21.633 3.357 1.00 0.00 C ATOM 424 CG LYS A 27 -37.037 21.018 2.053 1.00 0.00 C ATOM 425 CD LYS A 27 -37.995 21.358 0.907 1.00 0.00 C ATOM 426 CE LYS A 27 -37.435 22.532 0.101 1.00 0.00 C ATOM 427 NZ LYS A 27 -38.000 22.492 -1.281 1.00 0.00 N ATOM 0 H LYS A 27 -37.065 22.783 6.110 1.00 0.00 H new ATOM 0 HA LYS A 27 -35.884 20.712 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -38.406 21.058 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -37.916 22.647 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -36.040 21.399 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -36.949 19.937 2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -38.127 20.490 0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -38.978 21.612 1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -37.690 23.475 0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -36.347 22.477 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -37.623 23.288 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -37.735 21.596 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -39.036 22.563 -1.235 1.00 0.00 H new ATOM 441 N VAL A 28 -34.439 22.496 3.317 1.00 0.00 N ATOM 442 CA VAL A 28 -33.451 23.548 2.929 1.00 0.00 C ATOM 443 C VAL A 28 -33.824 24.081 1.536 1.00 0.00 C ATOM 444 O VAL A 28 -34.562 23.436 0.785 1.00 0.00 O ATOM 445 CB VAL A 28 -32.040 22.939 2.904 1.00 0.00 C ATOM 446 CG1 VAL A 28 -31.011 24.020 2.569 1.00 0.00 C ATOM 447 CG2 VAL A 28 -31.708 22.356 4.278 1.00 0.00 C ATOM 0 H VAL A 28 -34.246 21.566 2.944 1.00 0.00 H new ATOM 0 HA VAL A 28 -33.467 24.366 3.649 1.00 0.00 H new ATOM 0 HB VAL A 28 -32.009 22.155 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -30.014 23.581 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -31.236 24.446 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -31.049 24.805 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -30.707 21.925 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -31.748 23.146 5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -32.432 21.581 4.529 1.00 0.00 H new ATOM 457 N LEU A 29 -33.347 25.242 1.173 1.00 0.00 N ATOM 458 CA LEU A 29 -33.689 25.803 -0.173 1.00 0.00 C ATOM 459 C LEU A 29 -32.545 25.519 -1.155 1.00 0.00 C ATOM 460 O LEU A 29 -32.668 24.692 -2.057 1.00 0.00 O ATOM 461 CB LEU A 29 -33.919 27.323 -0.071 1.00 0.00 C ATOM 462 CG LEU A 29 -34.593 27.675 1.258 1.00 0.00 C ATOM 463 CD1 LEU A 29 -34.702 29.191 1.384 1.00 0.00 C ATOM 464 CD2 LEU A 29 -35.995 27.070 1.300 1.00 0.00 C ATOM 0 H LEU A 29 -32.738 25.826 1.745 1.00 0.00 H new ATOM 0 HA LEU A 29 -34.603 25.330 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -32.967 27.847 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -34.540 27.659 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 29 -33.998 27.276 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -35.182 29.444 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -33.705 29.631 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -35.297 29.583 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -36.472 27.322 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -36.588 27.469 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -35.927 25.986 1.206 1.00 0.00 H new ATOM 476 N ARG A 30 -31.440 26.192 -0.986 1.00 0.00 N ATOM 477 CA ARG A 30 -30.262 25.991 -1.888 1.00 0.00 C ATOM 478 C ARG A 30 -29.156 26.965 -1.476 1.00 0.00 C ATOM 479 O ARG A 30 -29.406 28.149 -1.270 1.00 0.00 O ATOM 480 CB ARG A 30 -30.666 26.261 -3.342 1.00 0.00 C ATOM 481 CG ARG A 30 -30.160 25.123 -4.232 1.00 0.00 C ATOM 482 CD ARG A 30 -31.085 24.976 -5.439 1.00 0.00 C ATOM 483 NE ARG A 30 -30.768 23.702 -6.154 1.00 0.00 N ATOM 484 CZ ARG A 30 -30.908 23.622 -7.435 1.00 0.00 C ATOM 485 NH1 ARG A 30 -32.069 23.379 -7.939 1.00 0.00 N ATOM 486 NH2 ARG A 30 -29.886 23.788 -8.203 1.00 0.00 N ATOM 0 H ARG A 30 -31.298 26.884 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 30 -29.907 24.964 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -31.750 26.344 -3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -30.249 27.211 -3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -29.142 25.330 -4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -30.129 24.191 -3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -32.126 24.975 -5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -30.961 25.824 -6.112 1.00 0.00 H new ATOM 0 HE ARG A 30 -30.440 22.892 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -32.874 23.250 -7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -32.183 23.315 -8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -28.970 23.982 -7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -29.993 23.725 -9.215 1.00 0.00 H new ATOM 631 N PHE A 40 -25.633 27.330 4.938 1.00 0.00 N ATOM 632 CA PHE A 40 -26.798 26.392 4.839 1.00 0.00 C ATOM 633 C PHE A 40 -28.045 26.941 5.561 1.00 0.00 C ATOM 634 O PHE A 40 -28.260 26.700 6.754 1.00 0.00 O ATOM 635 CB PHE A 40 -26.398 25.046 5.441 1.00 0.00 C ATOM 636 CG PHE A 40 -25.406 24.379 4.524 1.00 0.00 C ATOM 637 CD1 PHE A 40 -25.823 23.885 3.284 1.00 0.00 C ATOM 638 CD2 PHE A 40 -24.069 24.267 4.909 1.00 0.00 C ATOM 639 CE1 PHE A 40 -24.901 23.275 2.428 1.00 0.00 C ATOM 640 CE2 PHE A 40 -23.143 23.655 4.055 1.00 0.00 C ATOM 641 CZ PHE A 40 -23.560 23.158 2.814 1.00 0.00 C ATOM 0 HA PHE A 40 -27.059 26.278 3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -25.961 25.190 6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -27.277 24.414 5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -26.858 23.975 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -23.749 24.652 5.866 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -25.223 22.894 1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -22.109 23.566 4.353 1.00 0.00 H new ATOM 0 HZ PHE A 40 -22.848 22.685 2.155 1.00 0.00 H new ATOM 651 N ILE A 41 -28.887 27.653 4.852 1.00 0.00 N ATOM 652 CA ILE A 41 -30.137 28.201 5.473 1.00 0.00 C ATOM 653 C ILE A 41 -31.234 27.123 5.467 1.00 0.00 C ATOM 654 O ILE A 41 -31.839 26.830 4.434 1.00 0.00 O ATOM 655 CB ILE A 41 -30.631 29.418 4.674 1.00 0.00 C ATOM 656 CG1 ILE A 41 -29.555 30.505 4.647 1.00 0.00 C ATOM 657 CG2 ILE A 41 -31.892 29.987 5.329 1.00 0.00 C ATOM 658 CD1 ILE A 41 -29.879 31.509 3.538 1.00 0.00 C ATOM 0 H ILE A 41 -28.763 27.880 3.865 1.00 0.00 H new ATOM 0 HA ILE A 41 -29.917 28.501 6.498 1.00 0.00 H new ATOM 0 HB ILE A 41 -30.851 29.099 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -29.510 31.012 5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -28.575 30.059 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -32.240 30.850 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -32.670 29.224 5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -31.665 30.293 6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -29.114 32.286 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -29.902 30.995 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -30.851 31.963 3.731 1.00 0.00 H new ATOM 670 N THR A 42 -31.515 26.534 6.598 1.00 0.00 N ATOM 671 CA THR A 42 -32.588 25.484 6.655 1.00 0.00 C ATOM 672 C THR A 42 -33.916 26.144 7.044 1.00 0.00 C ATOM 673 O THR A 42 -33.998 26.848 8.047 1.00 0.00 O ATOM 674 CB THR A 42 -32.218 24.421 7.696 1.00 0.00 C ATOM 675 OG1 THR A 42 -31.162 23.616 7.194 1.00 0.00 O ATOM 676 CG2 THR A 42 -33.426 23.531 7.982 1.00 0.00 C ATOM 0 H THR A 42 -31.053 26.730 7.486 1.00 0.00 H new ATOM 0 HA THR A 42 -32.685 25.008 5.679 1.00 0.00 H new ATOM 0 HB THR A 42 -31.905 24.917 8.615 1.00 0.00 H new ATOM 0 HG1 THR A 42 -30.923 22.937 7.859 1.00 0.00 H new ATOM 0 HG21 THR A 42 -33.156 22.778 8.722 1.00 0.00 H new ATOM 0 HG22 THR A 42 -34.244 24.140 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 42 -33.741 23.039 7.062 1.00 0.00 H new ATOM 684 N ALA A 43 -34.953 25.943 6.274 1.00 0.00 N ATOM 685 CA ALA A 43 -36.266 26.580 6.605 1.00 0.00 C ATOM 686 C ALA A 43 -37.281 25.529 7.086 1.00 0.00 C ATOM 687 O ALA A 43 -37.375 24.428 6.544 1.00 0.00 O ATOM 688 CB ALA A 43 -36.805 27.283 5.355 1.00 0.00 C ATOM 0 H ALA A 43 -34.950 25.367 5.432 1.00 0.00 H new ATOM 0 HA ALA A 43 -36.117 27.301 7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -37.762 27.751 5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -36.096 28.046 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -36.940 26.553 4.557 1.00 0.00 H new ATOM 694 N CYS A 44 -38.049 25.857 8.090 1.00 0.00 N ATOM 695 CA CYS A 44 -39.072 24.894 8.608 1.00 0.00 C ATOM 696 C CYS A 44 -40.447 25.576 8.634 1.00 0.00 C ATOM 697 O CYS A 44 -40.604 26.658 9.196 1.00 0.00 O ATOM 698 CB CYS A 44 -38.690 24.462 10.025 1.00 0.00 C ATOM 699 SG CYS A 44 -39.974 23.374 10.692 1.00 0.00 S ATOM 0 H CYS A 44 -38.014 26.752 8.577 1.00 0.00 H new ATOM 0 HA CYS A 44 -39.112 24.019 7.959 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -37.731 23.945 10.013 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -38.572 25.337 10.664 1.00 0.00 H new ATOM 0 HG CYS A 44 -39.453 22.584 11.584 1.00 0.00 H new ATOM 705 N ILE A 45 -41.444 24.975 8.037 1.00 0.00 N ATOM 706 CA ILE A 45 -42.804 25.606 8.035 1.00 0.00 C ATOM 707 C ILE A 45 -43.737 24.858 9.005 1.00 0.00 C ATOM 708 O ILE A 45 -43.870 23.629 8.966 1.00 0.00 O ATOM 709 CB ILE A 45 -43.369 25.601 6.598 1.00 0.00 C ATOM 710 CG1 ILE A 45 -44.224 26.858 6.375 1.00 0.00 C ATOM 711 CG2 ILE A 45 -44.223 24.353 6.343 1.00 0.00 C ATOM 712 CD1 ILE A 45 -45.513 26.779 7.201 1.00 0.00 C ATOM 0 H ILE A 45 -41.379 24.080 7.553 1.00 0.00 H new ATOM 0 HA ILE A 45 -42.731 26.639 8.375 1.00 0.00 H new ATOM 0 HB ILE A 45 -42.530 25.593 5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -43.658 27.746 6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -44.468 26.957 5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -44.607 24.377 5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -43.613 23.460 6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -45.057 24.333 7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -46.108 27.676 7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -46.085 25.902 6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -45.263 26.703 8.259 1.00 0.00 H new ATOM 724 N VAL A 46 -44.380 25.580 9.884 1.00 0.00 N ATOM 725 CA VAL A 46 -45.302 24.936 10.867 1.00 0.00 C ATOM 726 C VAL A 46 -46.688 25.594 10.781 1.00 0.00 C ATOM 727 O VAL A 46 -46.881 26.748 11.172 1.00 0.00 O ATOM 728 CB VAL A 46 -44.721 25.093 12.280 1.00 0.00 C ATOM 729 CG1 VAL A 46 -45.797 24.805 13.327 1.00 0.00 C ATOM 730 CG2 VAL A 46 -43.572 24.103 12.468 1.00 0.00 C ATOM 0 H VAL A 46 -44.306 26.594 9.964 1.00 0.00 H new ATOM 0 HA VAL A 46 -45.405 23.875 10.640 1.00 0.00 H new ATOM 0 HB VAL A 46 -44.361 26.115 12.402 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -45.374 24.919 14.325 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -46.624 25.504 13.201 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -46.162 23.786 13.203 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -43.158 24.212 13.470 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -43.943 23.086 12.338 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -42.795 24.303 11.730 1.00 0.00 H new ATOM 740 N GLY A 47 -47.654 24.883 10.262 1.00 0.00 N ATOM 741 CA GLY A 47 -49.035 25.448 10.135 1.00 0.00 C ATOM 742 C GLY A 47 -49.066 26.497 9.025 1.00 0.00 C ATOM 743 O GLY A 47 -49.377 26.198 7.875 1.00 0.00 O ATOM 0 H GLY A 47 -47.547 23.929 9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -49.745 24.651 9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -49.343 25.896 11.080 1.00 0.00 H new ATOM 747 N SER A 48 -48.751 27.720 9.346 1.00 0.00 N ATOM 748 CA SER A 48 -48.761 28.797 8.305 1.00 0.00 C ATOM 749 C SER A 48 -47.567 29.747 8.498 1.00 0.00 C ATOM 750 O SER A 48 -47.534 30.841 7.939 1.00 0.00 O ATOM 751 CB SER A 48 -50.068 29.587 8.412 1.00 0.00 C ATOM 752 OG SER A 48 -51.162 28.677 8.515 1.00 0.00 O ATOM 0 H SER A 48 -48.486 28.025 10.283 1.00 0.00 H new ATOM 0 HA SER A 48 -48.683 28.338 7.319 1.00 0.00 H new ATOM 0 HB2 SER A 48 -50.041 30.241 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 48 -50.193 30.226 7.538 1.00 0.00 H new ATOM 0 HG SER A 48 -52.000 29.180 8.585 1.00 0.00 H new ATOM 758 N ILE A 49 -46.581 29.352 9.269 1.00 0.00 N ATOM 759 CA ILE A 49 -45.391 30.235 9.487 1.00 0.00 C ATOM 760 C ILE A 49 -44.107 29.415 9.315 1.00 0.00 C ATOM 761 O ILE A 49 -44.030 28.262 9.736 1.00 0.00 O ATOM 762 CB ILE A 49 -45.434 30.816 10.908 1.00 0.00 C ATOM 763 CG1 ILE A 49 -46.762 31.541 11.131 1.00 0.00 C ATOM 764 CG2 ILE A 49 -44.287 31.813 11.092 1.00 0.00 C ATOM 765 CD1 ILE A 49 -46.915 31.879 12.614 1.00 0.00 C ATOM 0 H ILE A 49 -46.549 28.457 9.756 1.00 0.00 H new ATOM 0 HA ILE A 49 -45.407 31.047 8.760 1.00 0.00 H new ATOM 0 HB ILE A 49 -45.335 30.002 11.626 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -46.796 32.452 10.534 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -47.591 30.914 10.803 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -44.320 32.224 12.101 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -43.335 31.305 10.938 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -44.388 32.621 10.368 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -47.861 32.396 12.774 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -46.900 30.960 13.200 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -46.093 32.523 12.927 1.00 0.00 H new ATOM 777 N VAL A 50 -43.094 29.981 8.716 1.00 0.00 N ATOM 778 CA VAL A 50 -41.817 29.222 8.535 1.00 0.00 C ATOM 779 C VAL A 50 -40.696 29.891 9.333 1.00 0.00 C ATOM 780 O VAL A 50 -40.766 31.066 9.692 1.00 0.00 O ATOM 781 CB VAL A 50 -41.439 29.152 7.043 1.00 0.00 C ATOM 782 CG1 VAL A 50 -41.629 30.513 6.380 1.00 0.00 C ATOM 783 CG2 VAL A 50 -39.977 28.730 6.876 1.00 0.00 C ATOM 0 H VAL A 50 -43.092 30.931 8.345 1.00 0.00 H new ATOM 0 HA VAL A 50 -41.958 28.206 8.903 1.00 0.00 H new ATOM 0 HB VAL A 50 -42.090 28.416 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -41.357 30.446 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -42.672 30.818 6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -40.994 31.249 6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -39.730 28.686 5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -39.330 29.455 7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -39.829 27.747 7.324 1.00 0.00 H new ATOM 793 N THR A 51 -39.668 29.152 9.620 1.00 0.00 N ATOM 794 CA THR A 51 -38.521 29.715 10.398 1.00 0.00 C ATOM 795 C THR A 51 -37.202 29.322 9.726 1.00 0.00 C ATOM 796 O THR A 51 -36.733 28.189 9.861 1.00 0.00 O ATOM 797 CB THR A 51 -38.536 29.161 11.827 1.00 0.00 C ATOM 798 OG1 THR A 51 -38.516 27.744 11.781 1.00 0.00 O ATOM 799 CG2 THR A 51 -39.797 29.623 12.556 1.00 0.00 C ATOM 0 H THR A 51 -39.566 28.174 9.350 1.00 0.00 H new ATOM 0 HA THR A 51 -38.613 30.801 10.427 1.00 0.00 H new ATOM 0 HB THR A 51 -37.659 29.528 12.361 1.00 0.00 H new ATOM 0 HG1 THR A 51 -37.777 27.446 11.211 1.00 0.00 H new ATOM 0 HG21 THR A 51 -39.798 29.224 13.570 1.00 0.00 H new ATOM 0 HG22 THR A 51 -39.817 30.712 12.595 1.00 0.00 H new ATOM 0 HG23 THR A 51 -40.677 29.263 12.024 1.00 0.00 H new ATOM 807 N GLU A 52 -36.597 30.222 9.002 1.00 0.00 N ATOM 808 CA GLU A 52 -35.307 29.902 8.315 1.00 0.00 C ATOM 809 C GLU A 52 -34.152 29.912 9.327 1.00 0.00 C ATOM 810 O GLU A 52 -34.106 30.736 10.239 1.00 0.00 O ATOM 811 CB GLU A 52 -35.036 30.950 7.231 1.00 0.00 C ATOM 812 CG GLU A 52 -36.191 30.956 6.223 1.00 0.00 C ATOM 813 CD GLU A 52 -37.095 32.163 6.477 1.00 0.00 C ATOM 814 OE1 GLU A 52 -37.614 32.272 7.580 1.00 0.00 O ATOM 815 OE2 GLU A 52 -37.251 32.956 5.568 1.00 0.00 O ATOM 0 H GLU A 52 -36.940 31.171 8.854 1.00 0.00 H new ATOM 0 HA GLU A 52 -35.380 28.912 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -34.929 31.936 7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -34.097 30.728 6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -35.798 30.992 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -36.767 30.034 6.310 1.00 0.00 H new ATOM 822 N GLY A 53 -33.213 29.021 9.182 1.00 0.00 N ATOM 823 CA GLY A 53 -32.046 28.978 10.121 1.00 0.00 C ATOM 824 C GLY A 53 -30.759 29.028 9.301 1.00 0.00 C ATOM 825 O GLY A 53 -30.263 28.000 8.839 1.00 0.00 O ATOM 0 H GLY A 53 -33.199 28.312 8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -32.086 29.819 10.813 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -32.077 28.069 10.722 1.00 0.00 H new ATOM 829 N GLU A 54 -30.228 30.203 9.093 1.00 0.00 N ATOM 830 CA GLU A 54 -28.983 30.350 8.274 1.00 0.00 C ATOM 831 C GLU A 54 -27.760 29.783 9.017 1.00 0.00 C ATOM 832 O GLU A 54 -26.862 30.516 9.432 1.00 0.00 O ATOM 833 CB GLU A 54 -28.755 31.837 7.968 1.00 0.00 C ATOM 834 CG GLU A 54 -30.040 32.465 7.402 1.00 0.00 C ATOM 835 CD GLU A 54 -30.178 33.899 7.905 1.00 0.00 C ATOM 836 OE1 GLU A 54 -29.658 34.786 7.250 1.00 0.00 O ATOM 837 OE2 GLU A 54 -30.808 34.082 8.934 1.00 0.00 O ATOM 0 H GLU A 54 -30.605 31.078 9.458 1.00 0.00 H new ATOM 0 HA GLU A 54 -29.108 29.790 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -28.455 32.361 8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -27.941 31.948 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -30.012 32.453 6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -30.907 31.878 7.705 1.00 0.00 H new ATOM 844 N GLY A 55 -27.693 28.487 9.182 1.00 0.00 N ATOM 845 CA GLY A 55 -26.510 27.884 9.879 1.00 0.00 C ATOM 846 C GLY A 55 -25.358 27.711 8.880 1.00 0.00 C ATOM 847 O GLY A 55 -25.576 27.516 7.688 1.00 0.00 O ATOM 0 H GLY A 55 -28.399 27.822 8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -26.196 28.523 10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.781 26.919 10.308 1.00 0.00 H new ATOM 943 N LYS A 62 -29.972 23.559 10.840 1.00 0.00 N ATOM 944 CA LYS A 62 -30.812 22.377 11.221 1.00 0.00 C ATOM 945 C LYS A 62 -30.989 22.393 12.736 1.00 0.00 C ATOM 946 O LYS A 62 -32.100 22.524 13.244 1.00 0.00 O ATOM 947 CB LYS A 62 -30.140 21.073 10.770 1.00 0.00 C ATOM 948 CG LYS A 62 -31.200 20.116 10.218 1.00 0.00 C ATOM 949 CD LYS A 62 -30.521 18.833 9.727 1.00 0.00 C ATOM 950 CE LYS A 62 -30.030 19.028 8.292 1.00 0.00 C ATOM 951 NZ LYS A 62 -28.770 18.250 8.098 1.00 0.00 N ATOM 0 HA LYS A 62 -31.784 22.433 10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -29.391 21.283 10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -29.619 20.611 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -31.931 19.881 10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -31.743 20.590 9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -29.683 18.581 10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -31.221 17.999 9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -30.790 18.695 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -29.853 20.085 8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -28.430 18.378 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -28.047 18.588 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -28.955 17.241 8.271 1.00 0.00 H new ATOM 965 N LYS A 63 -29.907 22.331 13.465 1.00 0.00 N ATOM 966 CA LYS A 63 -30.009 22.411 14.950 1.00 0.00 C ATOM 967 C LYS A 63 -30.548 23.804 15.268 1.00 0.00 C ATOM 968 O LYS A 63 -31.598 23.965 15.877 1.00 0.00 O ATOM 969 CB LYS A 63 -28.626 22.236 15.603 1.00 0.00 C ATOM 970 CG LYS A 63 -27.856 21.090 14.939 1.00 0.00 C ATOM 971 CD LYS A 63 -26.571 21.636 14.306 1.00 0.00 C ATOM 972 CE LYS A 63 -26.270 20.880 13.011 1.00 0.00 C ATOM 973 NZ LYS A 63 -25.308 21.672 12.193 1.00 0.00 N ATOM 0 H LYS A 63 -28.961 22.229 13.098 1.00 0.00 H new ATOM 0 HA LYS A 63 -30.658 21.624 15.334 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -28.057 23.162 15.516 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -28.744 22.033 16.667 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -27.614 20.325 15.677 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -28.475 20.615 14.178 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -26.680 22.701 14.099 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.739 21.530 15.002 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -25.852 19.899 13.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -27.190 20.713 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -25.100 21.162 11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -25.724 22.598 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -24.427 21.810 12.729 1.00 0.00 H new ATOM 987 N ARG A 64 -29.849 24.811 14.804 1.00 0.00 N ATOM 988 CA ARG A 64 -30.291 26.220 15.010 1.00 0.00 C ATOM 989 C ARG A 64 -31.655 26.438 14.342 1.00 0.00 C ATOM 990 O ARG A 64 -32.499 27.182 14.841 1.00 0.00 O ATOM 991 CB ARG A 64 -29.246 27.152 14.387 1.00 0.00 C ATOM 992 CG ARG A 64 -29.249 28.497 15.129 1.00 0.00 C ATOM 993 CD ARG A 64 -29.088 28.252 16.637 1.00 0.00 C ATOM 994 NE ARG A 64 -28.410 29.425 17.274 1.00 0.00 N ATOM 995 CZ ARG A 64 -27.572 29.248 18.249 1.00 0.00 C ATOM 996 NH1 ARG A 64 -27.857 28.441 19.214 1.00 0.00 N ATOM 997 NH2 ARG A 64 -26.442 29.873 18.244 1.00 0.00 N ATOM 0 H ARG A 64 -28.978 24.711 14.283 1.00 0.00 H new ATOM 0 HA ARG A 64 -30.388 26.432 16.075 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -28.258 26.696 14.443 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -29.466 27.307 13.331 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -28.438 29.127 14.764 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -30.180 29.030 14.934 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -30.064 28.093 17.095 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -28.505 27.347 16.807 1.00 0.00 H new ATOM 0 HE ARG A 64 -28.608 30.368 16.940 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -28.745 27.938 19.213 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -27.195 28.305 19.978 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -26.211 30.503 17.476 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -25.780 29.737 19.008 1.00 0.00 H new ATOM 1011 N ALA A 65 -31.895 25.789 13.228 1.00 0.00 N ATOM 1012 CA ALA A 65 -33.213 25.938 12.546 1.00 0.00 C ATOM 1013 C ALA A 65 -34.308 25.425 13.498 1.00 0.00 C ATOM 1014 O ALA A 65 -35.298 26.107 13.769 1.00 0.00 O ATOM 1015 CB ALA A 65 -33.211 25.117 11.252 1.00 0.00 C ATOM 0 H ALA A 65 -31.235 25.165 12.765 1.00 0.00 H new ATOM 0 HA ALA A 65 -33.400 26.982 12.296 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -34.173 25.224 10.752 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -32.418 25.475 10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -33.040 24.067 11.488 1.00 0.00 H new ATOM 1021 N ALA A 66 -34.121 24.241 14.035 1.00 0.00 N ATOM 1022 CA ALA A 66 -35.114 23.675 14.997 1.00 0.00 C ATOM 1023 C ALA A 66 -35.098 24.509 16.289 1.00 0.00 C ATOM 1024 O ALA A 66 -36.141 24.774 16.882 1.00 0.00 O ATOM 1025 CB ALA A 66 -34.741 22.221 15.308 1.00 0.00 C ATOM 0 H ALA A 66 -33.318 23.642 13.845 1.00 0.00 H new ATOM 0 HA ALA A 66 -36.113 23.705 14.563 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -35.462 21.802 16.010 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -34.750 21.638 14.387 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -33.745 22.187 15.749 1.00 0.00 H new ATOM 1031 N GLU A 67 -33.935 24.937 16.721 1.00 0.00 N ATOM 1032 CA GLU A 67 -33.833 25.772 17.960 1.00 0.00 C ATOM 1033 C GLU A 67 -34.807 26.951 17.856 1.00 0.00 C ATOM 1034 O GLU A 67 -35.682 27.137 18.704 1.00 0.00 O ATOM 1035 CB GLU A 67 -32.404 26.314 18.089 1.00 0.00 C ATOM 1036 CG GLU A 67 -31.463 25.227 18.627 1.00 0.00 C ATOM 1037 CD GLU A 67 -30.014 25.704 18.504 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -29.670 26.666 19.168 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -29.273 25.111 17.739 1.00 0.00 O ATOM 0 H GLU A 67 -33.045 24.741 16.264 1.00 0.00 H new ATOM 0 HA GLU A 67 -34.078 25.165 18.831 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -32.051 26.660 17.118 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -32.394 27.175 18.757 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -31.699 25.009 19.669 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -31.602 24.301 18.069 1.00 0.00 H new ATOM 1046 N LYS A 68 -34.676 27.737 16.815 1.00 0.00 N ATOM 1047 CA LYS A 68 -35.593 28.904 16.616 1.00 0.00 C ATOM 1048 C LYS A 68 -37.050 28.413 16.600 1.00 0.00 C ATOM 1049 O LYS A 68 -37.949 29.067 17.122 1.00 0.00 O ATOM 1050 CB LYS A 68 -35.262 29.586 15.281 1.00 0.00 C ATOM 1051 CG LYS A 68 -35.606 31.078 15.363 1.00 0.00 C ATOM 1052 CD LYS A 68 -34.808 31.848 14.304 1.00 0.00 C ATOM 1053 CE LYS A 68 -35.423 31.624 12.921 1.00 0.00 C ATOM 1054 NZ LYS A 68 -34.596 32.324 11.892 1.00 0.00 N ATOM 0 H LYS A 68 -33.969 27.620 16.090 1.00 0.00 H new ATOM 0 HA LYS A 68 -35.463 29.617 17.430 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -34.205 29.459 15.049 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -35.824 29.117 14.473 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -36.675 31.224 15.206 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -35.375 31.461 16.357 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -34.804 32.912 14.542 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -33.769 31.517 14.307 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -35.472 30.558 12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -36.446 32.001 12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -35.087 33.185 11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -33.675 32.580 12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -34.449 31.694 11.078 1.00 0.00 H new ATOM 1068 N MET A 69 -37.293 27.267 16.017 1.00 0.00 N ATOM 1069 CA MET A 69 -38.683 26.723 15.972 1.00 0.00 C ATOM 1070 C MET A 69 -39.156 26.359 17.389 1.00 0.00 C ATOM 1071 O MET A 69 -40.268 26.687 17.787 1.00 0.00 O ATOM 1072 CB MET A 69 -38.707 25.472 15.085 1.00 0.00 C ATOM 1073 CG MET A 69 -39.318 25.822 13.728 1.00 0.00 C ATOM 1074 SD MET A 69 -41.121 25.726 13.836 1.00 0.00 S ATOM 1075 CE MET A 69 -41.484 26.655 12.325 1.00 0.00 C ATOM 0 H MET A 69 -36.586 26.683 15.569 1.00 0.00 H new ATOM 0 HA MET A 69 -39.351 27.480 15.561 1.00 0.00 H new ATOM 0 HB2 MET A 69 -37.696 25.088 14.952 1.00 0.00 H new ATOM 0 HB3 MET A 69 -39.287 24.684 15.565 1.00 0.00 H new ATOM 0 HG2 MET A 69 -39.014 26.825 13.428 1.00 0.00 H new ATOM 0 HG3 MET A 69 -38.952 25.136 12.964 1.00 0.00 H new ATOM 0 HE1 MET A 69 -42.283 26.158 11.775 1.00 0.00 H new ATOM 0 HE2 MET A 69 -41.797 27.666 12.586 1.00 0.00 H new ATOM 0 HE3 MET A 69 -40.590 26.701 11.703 1.00 0.00 H new ATOM 1085 N LEU A 70 -38.341 25.684 18.156 1.00 0.00 N ATOM 1086 CA LEU A 70 -38.755 25.292 19.542 1.00 0.00 C ATOM 1087 C LEU A 70 -38.850 26.525 20.455 1.00 0.00 C ATOM 1088 O LEU A 70 -39.833 26.702 21.173 1.00 0.00 O ATOM 1089 CB LEU A 70 -37.732 24.307 20.120 1.00 0.00 C ATOM 1090 CG LEU A 70 -37.857 22.956 19.416 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -36.882 21.967 20.047 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -39.281 22.423 19.572 1.00 0.00 C ATOM 0 H LEU A 70 -37.404 25.385 17.885 1.00 0.00 H new ATOM 0 HA LEU A 70 -39.737 24.823 19.491 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -36.723 24.701 19.994 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -37.895 24.186 21.191 1.00 0.00 H new ATOM 0 HG LEU A 70 -37.629 23.079 18.357 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -36.968 21.002 19.547 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -35.864 22.341 19.940 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -37.116 21.850 21.105 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -39.366 21.460 19.069 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -39.510 22.301 20.631 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -39.984 23.128 19.128 1.00 0.00 H new ATOM 1104 N VAL A 71 -37.853 27.371 20.455 1.00 0.00 N ATOM 1105 CA VAL A 71 -37.894 28.582 21.340 1.00 0.00 C ATOM 1106 C VAL A 71 -39.135 29.445 21.024 1.00 0.00 C ATOM 1107 O VAL A 71 -39.743 30.026 21.927 1.00 0.00 O ATOM 1108 CB VAL A 71 -36.608 29.400 21.151 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -36.536 29.945 19.728 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -36.599 30.573 22.128 1.00 0.00 C ATOM 0 H VAL A 71 -37.013 27.280 19.884 1.00 0.00 H new ATOM 0 HA VAL A 71 -37.963 28.260 22.379 1.00 0.00 H new ATOM 0 HB VAL A 71 -35.751 28.752 21.336 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -35.620 30.523 19.606 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -36.539 29.116 19.020 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -37.397 30.586 19.540 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -35.686 31.152 21.993 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -37.464 31.209 21.940 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -36.641 30.196 23.150 1.00 0.00 H new ATOM 1120 N GLU A 72 -39.531 29.535 19.775 1.00 0.00 N ATOM 1121 CA GLU A 72 -40.737 30.352 19.425 1.00 0.00 C ATOM 1122 C GLU A 72 -42.012 29.496 19.562 1.00 0.00 C ATOM 1123 O GLU A 72 -42.995 29.923 20.165 1.00 0.00 O ATOM 1124 CB GLU A 72 -40.614 30.878 17.986 1.00 0.00 C ATOM 1125 CG GLU A 72 -39.417 31.842 17.869 1.00 0.00 C ATOM 1126 CD GLU A 72 -39.370 32.793 19.066 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -40.338 33.505 19.286 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -38.362 32.798 19.758 1.00 0.00 O ATOM 0 H GLU A 72 -39.073 29.079 18.986 1.00 0.00 H new ATOM 0 HA GLU A 72 -40.802 31.198 20.110 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -40.486 30.044 17.296 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -41.532 31.391 17.699 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -38.489 31.273 17.814 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -39.494 32.416 16.945 1.00 0.00 H new ATOM 1135 N LEU A 73 -42.020 28.292 19.025 1.00 0.00 N ATOM 1136 CA LEU A 73 -43.240 27.414 19.135 1.00 0.00 C ATOM 1137 C LEU A 73 -43.580 27.150 20.613 1.00 0.00 C ATOM 1138 O LEU A 73 -44.714 26.807 20.954 1.00 0.00 O ATOM 1139 CB LEU A 73 -42.981 26.077 18.424 1.00 0.00 C ATOM 1140 CG LEU A 73 -43.251 26.195 16.913 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -44.726 25.914 16.635 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -42.913 27.598 16.402 1.00 0.00 C ATOM 0 H LEU A 73 -41.237 27.880 18.517 1.00 0.00 H new ATOM 0 HA LEU A 73 -44.081 27.924 18.664 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -41.949 25.767 18.590 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -43.619 25.304 18.852 1.00 0.00 H new ATOM 0 HG LEU A 73 -42.621 25.470 16.398 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -44.917 25.998 15.565 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -44.974 24.907 16.970 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -45.341 26.637 17.171 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -43.113 27.653 15.332 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -43.526 28.333 16.924 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -41.859 27.808 16.585 1.00 0.00 H new ATOM 1154 N GLN A 74 -42.630 27.314 21.497 1.00 0.00 N ATOM 1155 CA GLN A 74 -42.906 27.105 22.951 1.00 0.00 C ATOM 1156 C GLN A 74 -43.161 28.473 23.615 1.00 0.00 C ATOM 1157 O GLN A 74 -43.277 28.581 24.834 1.00 0.00 O ATOM 1158 CB GLN A 74 -41.701 26.417 23.600 1.00 0.00 C ATOM 1159 CG GLN A 74 -41.546 25.006 23.015 1.00 0.00 C ATOM 1160 CD GLN A 74 -41.174 24.018 24.118 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -41.893 23.058 24.363 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -40.085 24.198 24.801 1.00 0.00 N ATOM 0 H GLN A 74 -41.672 27.584 21.274 1.00 0.00 H new ATOM 0 HA GLN A 74 -43.786 26.474 23.080 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -40.796 26.998 23.422 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -41.837 26.362 24.680 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -42.476 24.697 22.538 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -40.777 25.007 22.242 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -39.483 24.997 24.600 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -39.831 23.541 25.539 1.00 0.00 H new ATOM 1171 N LYS A 75 -43.253 29.516 22.822 1.00 0.00 N ATOM 1172 CA LYS A 75 -43.505 30.887 23.362 1.00 0.00 C ATOM 1173 C LYS A 75 -44.859 31.407 22.841 1.00 0.00 C ATOM 1174 O LYS A 75 -45.507 32.232 23.484 1.00 0.00 O ATOM 1175 CB LYS A 75 -42.385 31.819 22.886 1.00 0.00 C ATOM 1176 CG LYS A 75 -41.879 32.667 24.056 1.00 0.00 C ATOM 1177 CD LYS A 75 -40.987 33.791 23.517 1.00 0.00 C ATOM 1178 CE LYS A 75 -39.751 33.194 22.840 1.00 0.00 C ATOM 1179 NZ LYS A 75 -39.398 34.019 21.653 1.00 0.00 N ATOM 0 H LYS A 75 -43.162 29.471 21.807 1.00 0.00 H new ATOM 0 HA LYS A 75 -43.527 30.856 24.451 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -41.566 31.233 22.469 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -42.752 32.466 22.089 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -42.721 33.087 24.607 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -41.319 32.046 24.755 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -41.544 34.400 22.805 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -40.684 34.449 24.331 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -38.916 33.166 23.540 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -39.948 32.165 22.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -38.569 33.608 21.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -40.201 34.038 20.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -39.178 34.989 21.957 1.00 0.00 H new ATOM 1193 N LEU A 76 -45.282 30.946 21.688 1.00 0.00 N ATOM 1194 CA LEU A 76 -46.576 31.395 21.104 1.00 0.00 C ATOM 1195 C LEU A 76 -47.651 30.313 21.327 1.00 0.00 C ATOM 1196 O LEU A 76 -48.735 30.667 21.760 1.00 0.00 O ATOM 1197 CB LEU A 76 -46.380 31.618 19.601 1.00 0.00 C ATOM 1198 CG LEU A 76 -45.293 32.671 19.363 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -44.491 32.304 18.118 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -45.943 34.036 19.151 1.00 0.00 C ATOM 1201 OXT LEU A 76 -47.374 29.148 21.054 1.00 0.00 O ATOM 0 H LEU A 76 -44.774 30.267 21.122 1.00 0.00 H new ATOM 0 HA LEU A 76 -46.899 32.320 21.583 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -46.101 30.681 19.120 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -47.317 31.942 19.148 1.00 0.00 H new ATOM 0 HG LEU A 76 -44.632 32.708 20.229 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -43.718 33.054 17.949 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -44.026 31.328 18.259 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -45.156 32.268 17.255 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -45.169 34.785 18.982 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -46.603 33.994 18.285 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -46.521 34.305 20.035 1.00 0.00 H new