USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 449 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 12 MET CE :methyl -148:sc= -0.254 (180deg=-2.08!) USER MOD Set 1.2: A 20 GLN : amide:sc= 0 X(o=-0.25,f=-0.26) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 53:sc= 0.894 USER MOD Single : A 22 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-3.5!) USER MOD Single : A 25 GLN : amide:sc= -1.04 K(o=-1,f=-2.1!) USER MOD Single : A 30 ASN : amide:sc= 0.38 X(o=0.38,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-0.22) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -29:sc= 0.37 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= 0.453 (180deg=0.338) USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0.0849 (180deg=0.0635) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.353) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -0.900 0.489 -7.105 1.00 0.00 N ATOM 130 CA PRO A 11 -0.872 1.423 -5.976 1.00 0.00 C ATOM 131 C PRO A 11 -1.023 2.874 -6.420 1.00 0.00 C ATOM 132 O PRO A 11 -0.881 3.189 -7.602 1.00 0.00 O ATOM 133 CB PRO A 11 0.510 1.194 -5.359 1.00 0.00 C ATOM 134 CG PRO A 11 1.343 0.674 -6.479 1.00 0.00 C ATOM 135 CD PRO A 11 0.415 -0.129 -7.347 1.00 0.00 C ATOM 0 HA PRO A 11 -1.696 1.250 -5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.922 2.119 -4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.463 0.481 -4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.794 1.491 -7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.159 0.056 -6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.698 -0.072 -8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.420 -1.184 -7.072 1.00 0.00 H new ATOM 143 N MET A 12 -1.310 3.754 -5.466 1.00 0.00 N ATOM 144 CA MET A 12 -1.478 5.172 -5.761 1.00 0.00 C ATOM 145 C MET A 12 -0.140 5.817 -6.108 1.00 0.00 C ATOM 146 O MET A 12 0.864 5.587 -5.435 1.00 0.00 O ATOM 147 CB MET A 12 -2.110 5.891 -4.567 1.00 0.00 C ATOM 148 CG MET A 12 -3.619 5.728 -4.489 1.00 0.00 C ATOM 149 SD MET A 12 -4.293 6.258 -2.903 1.00 0.00 S ATOM 150 CE MET A 12 -4.281 8.037 -3.107 1.00 0.00 C ATOM 0 H MET A 12 -1.431 3.510 -4.483 1.00 0.00 H new ATOM 0 HA MET A 12 -2.139 5.263 -6.623 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.664 5.512 -3.647 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.870 6.953 -4.624 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.085 6.304 -5.288 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.877 4.683 -4.658 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.108 8.513 -2.142 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.486 8.319 -3.798 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.241 8.364 -3.506 1.00 0.00 H new ATOM 160 N SER A 13 -0.134 6.626 -7.163 1.00 0.00 N ATOM 161 CA SER A 13 1.081 7.301 -7.602 1.00 0.00 C ATOM 162 C SER A 13 1.162 8.709 -7.018 1.00 0.00 C ATOM 163 O SER A 13 0.146 9.304 -6.662 1.00 0.00 O ATOM 164 CB SER A 13 1.130 7.367 -9.130 1.00 0.00 C ATOM 165 OG SER A 13 1.611 6.152 -9.678 1.00 0.00 O ATOM 0 H SER A 13 -0.957 6.830 -7.729 1.00 0.00 H new ATOM 0 HA SER A 13 1.935 6.727 -7.243 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.134 7.576 -9.520 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.774 8.190 -9.441 1.00 0.00 H new ATOM 0 HG SER A 13 1.631 6.219 -10.655 1.00 0.00 H new ATOM 171 N ALA A 14 2.379 9.234 -6.923 1.00 0.00 N ATOM 172 CA ALA A 14 2.594 10.571 -6.384 1.00 0.00 C ATOM 173 C ALA A 14 1.507 11.533 -6.852 1.00 0.00 C ATOM 174 O ALA A 14 1.161 12.483 -6.150 1.00 0.00 O ATOM 175 CB ALA A 14 3.968 11.088 -6.787 1.00 0.00 C ATOM 0 H ALA A 14 3.231 8.754 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 14 2.545 10.510 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.115 12.087 -6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.737 10.420 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.037 11.127 -7.874 1.00 0.00 H new ATOM 181 N SER A 15 0.972 11.280 -8.043 1.00 0.00 N ATOM 182 CA SER A 15 -0.073 12.126 -8.606 1.00 0.00 C ATOM 183 C SER A 15 -1.356 12.024 -7.786 1.00 0.00 C ATOM 184 O SER A 15 -1.849 13.021 -7.259 1.00 0.00 O ATOM 185 CB SER A 15 -0.350 11.732 -10.058 1.00 0.00 C ATOM 186 OG SER A 15 -0.808 12.843 -10.810 1.00 0.00 O ATOM 0 H SER A 15 1.245 10.496 -8.636 1.00 0.00 H new ATOM 0 HA SER A 15 0.275 13.159 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.558 11.333 -10.509 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.096 10.937 -10.087 1.00 0.00 H new ATOM 0 HG SER A 15 -0.181 13.589 -10.706 1.00 0.00 H new ATOM 192 N ALA A 16 -1.890 10.812 -7.683 1.00 0.00 N ATOM 193 CA ALA A 16 -3.113 10.578 -6.927 1.00 0.00 C ATOM 194 C ALA A 16 -2.965 11.049 -5.484 1.00 0.00 C ATOM 195 O ALA A 16 -3.907 11.580 -4.893 1.00 0.00 O ATOM 196 CB ALA A 16 -3.485 9.103 -6.967 1.00 0.00 C ATOM 0 H ALA A 16 -1.494 9.977 -8.114 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.913 11.156 -7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.401 8.943 -6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.642 8.795 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.679 8.513 -6.531 1.00 0.00 H new ATOM 202 N LEU A 17 -1.778 10.850 -4.921 1.00 0.00 N ATOM 203 CA LEU A 17 -1.507 11.254 -3.546 1.00 0.00 C ATOM 204 C LEU A 17 -1.643 12.765 -3.385 1.00 0.00 C ATOM 205 O LEU A 17 -2.383 13.244 -2.525 1.00 0.00 O ATOM 206 CB LEU A 17 -0.103 10.811 -3.131 1.00 0.00 C ATOM 207 CG LEU A 17 0.131 9.301 -3.059 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.590 9.001 -2.754 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.776 8.671 -2.012 1.00 0.00 C ATOM 0 H LEU A 17 -0.989 10.412 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.240 10.771 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.613 11.236 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.117 11.240 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.112 8.868 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.737 7.922 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.219 9.419 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.861 9.447 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.596 7.597 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.565 9.109 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.818 8.856 -2.274 1.00 0.00 H new ATOM 221 N PHE A 18 -0.927 13.511 -4.219 1.00 0.00 N ATOM 222 CA PHE A 18 -0.969 14.968 -4.170 1.00 0.00 C ATOM 223 C PHE A 18 -2.396 15.477 -4.349 1.00 0.00 C ATOM 224 O PHE A 18 -2.799 16.460 -3.726 1.00 0.00 O ATOM 225 CB PHE A 18 -0.064 15.562 -5.252 1.00 0.00 C ATOM 226 CG PHE A 18 -0.227 17.045 -5.422 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.257 17.559 -6.193 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.650 17.926 -4.810 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.411 18.923 -6.351 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.501 19.292 -4.964 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.529 19.791 -5.736 1.00 0.00 C ATOM 0 H PHE A 18 -0.310 13.131 -4.937 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.609 15.284 -3.191 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.975 15.345 -5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.275 15.070 -6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.948 16.885 -6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.459 17.542 -4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.219 19.310 -6.954 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.190 19.968 -4.480 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.645 20.858 -5.859 1.00 0.00 H new ATOM 241 N VAL A 19 -3.156 14.801 -5.204 1.00 0.00 N ATOM 242 CA VAL A 19 -4.539 15.183 -5.466 1.00 0.00 C ATOM 243 C VAL A 19 -5.409 14.975 -4.232 1.00 0.00 C ATOM 244 O VAL A 19 -6.061 15.904 -3.756 1.00 0.00 O ATOM 245 CB VAL A 19 -5.131 14.381 -6.640 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.609 14.697 -6.811 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.363 14.668 -7.921 1.00 0.00 C ATOM 0 H VAL A 19 -2.838 13.986 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.531 16.241 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.036 13.318 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.010 14.121 -7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.145 14.436 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.733 15.761 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.794 14.093 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.425 15.731 -8.152 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.318 14.385 -7.790 1.00 0.00 H new ATOM 257 N GLN A 20 -5.414 13.749 -3.718 1.00 0.00 N ATOM 258 CA GLN A 20 -6.205 13.419 -2.538 1.00 0.00 C ATOM 259 C GLN A 20 -5.751 14.234 -1.332 1.00 0.00 C ATOM 260 O GLN A 20 -6.416 14.252 -0.296 1.00 0.00 O ATOM 261 CB GLN A 20 -6.098 11.924 -2.228 1.00 0.00 C ATOM 262 CG GLN A 20 -6.972 11.479 -1.068 1.00 0.00 C ATOM 263 CD GLN A 20 -7.051 9.971 -0.941 1.00 0.00 C ATOM 264 OE1 GLN A 20 -8.024 9.350 -1.371 1.00 0.00 O ATOM 265 NE2 GLN A 20 -6.025 9.372 -0.349 1.00 0.00 N ATOM 0 H GLN A 20 -4.880 12.969 -4.100 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.246 13.666 -2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.373 11.357 -3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.059 11.682 -2.003 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.580 11.898 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.976 11.882 -1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.239 9.925 -0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.022 8.358 -0.236 1.00 0.00 H new ATOM 274 N ASP A 21 -4.614 14.907 -1.474 1.00 0.00 N ATOM 275 CA ASP A 21 -4.071 15.726 -0.396 1.00 0.00 C ATOM 276 C ASP A 21 -4.715 17.108 -0.386 1.00 0.00 C ATOM 277 O ASP A 21 -4.843 17.738 0.665 1.00 0.00 O ATOM 278 CB ASP A 21 -2.554 15.857 -0.541 1.00 0.00 C ATOM 279 CG ASP A 21 -1.861 16.072 0.790 1.00 0.00 C ATOM 280 OD1 ASP A 21 -1.905 17.209 1.304 1.00 0.00 O ATOM 281 OD2 ASP A 21 -1.275 15.104 1.317 1.00 0.00 O ATOM 0 H ASP A 21 -4.051 14.902 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.296 15.234 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.158 14.957 -1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.326 16.691 -1.205 1.00 0.00 H new ATOM 286 N HIS A 22 -5.118 17.576 -1.563 1.00 0.00 N ATOM 287 CA HIS A 22 -5.749 18.885 -1.690 1.00 0.00 C ATOM 288 C HIS A 22 -7.191 18.750 -2.169 1.00 0.00 C ATOM 289 O HIS A 22 -7.855 19.745 -2.461 1.00 0.00 O ATOM 290 CB HIS A 22 -4.958 19.764 -2.659 1.00 0.00 C ATOM 291 CG HIS A 22 -3.479 19.734 -2.424 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.902 20.064 -1.216 1.00 0.00 N ATOM 293 CD2 HIS A 22 -2.458 19.408 -3.251 1.00 0.00 C ATOM 294 CE1 HIS A 22 -1.589 19.944 -1.311 1.00 0.00 C ATOM 295 NE2 HIS A 22 -1.294 19.547 -2.535 1.00 0.00 N ATOM 0 H HIS A 22 -5.019 17.068 -2.442 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.754 19.355 -0.706 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.162 19.440 -3.680 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.310 20.792 -2.574 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.543 19.097 -4.282 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.878 20.138 -0.521 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.354 19.372 -2.891 1.00 0.00 H new ATOM 304 N ARG A 23 -7.669 17.512 -2.249 1.00 0.00 N ATOM 305 CA ARG A 23 -9.031 17.246 -2.695 1.00 0.00 C ATOM 306 C ARG A 23 -10.047 17.883 -1.750 1.00 0.00 C ATOM 307 O ARG A 23 -10.851 18.728 -2.143 1.00 0.00 O ATOM 308 CB ARG A 23 -9.277 15.739 -2.783 1.00 0.00 C ATOM 309 CG ARG A 23 -10.705 15.334 -2.457 1.00 0.00 C ATOM 310 CD ARG A 23 -10.883 13.825 -2.510 1.00 0.00 C ATOM 311 NE ARG A 23 -12.275 13.445 -2.734 1.00 0.00 N ATOM 312 CZ ARG A 23 -12.746 12.221 -2.524 1.00 0.00 C ATOM 313 NH1 ARG A 23 -11.940 11.264 -2.085 1.00 0.00 N ATOM 314 NH2 ARG A 23 -14.025 11.953 -2.751 1.00 0.00 N ATOM 0 H ARG A 23 -7.133 16.678 -2.011 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.154 17.686 -3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.032 15.398 -3.789 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.599 15.228 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.970 15.698 -1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.388 15.807 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.263 13.415 -3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.533 13.386 -1.576 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.921 14.159 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.956 11.467 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.304 10.325 -1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.648 12.687 -3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.386 11.013 -2.589 1.00 0.00 H new ATOM 328 N PRO A 24 -10.010 17.470 -0.475 1.00 0.00 N ATOM 329 CA PRO A 24 -10.919 17.987 0.552 1.00 0.00 C ATOM 330 C PRO A 24 -10.622 19.439 0.911 1.00 0.00 C ATOM 331 O PRO A 24 -11.535 20.252 1.047 1.00 0.00 O ATOM 332 CB PRO A 24 -10.655 17.074 1.752 1.00 0.00 C ATOM 333 CG PRO A 24 -9.266 16.576 1.551 1.00 0.00 C ATOM 334 CD PRO A 24 -9.076 16.466 0.063 1.00 0.00 C ATOM 0 HA PRO A 24 -11.956 17.984 0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.748 17.618 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.369 16.251 1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.539 17.261 1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.124 15.610 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.047 16.678 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.310 15.465 -0.299 1.00 0.00 H new ATOM 342 N GLN A 25 -9.340 19.755 1.063 1.00 0.00 N ATOM 343 CA GLN A 25 -8.924 21.110 1.407 1.00 0.00 C ATOM 344 C GLN A 25 -9.502 22.123 0.424 1.00 0.00 C ATOM 345 O GLN A 25 -10.129 23.104 0.825 1.00 0.00 O ATOM 346 CB GLN A 25 -7.398 21.209 1.422 1.00 0.00 C ATOM 347 CG GLN A 25 -6.880 22.532 1.961 1.00 0.00 C ATOM 348 CD GLN A 25 -7.530 22.923 3.274 1.00 0.00 C ATOM 349 OE1 GLN A 25 -7.938 22.065 4.057 1.00 0.00 O ATOM 350 NE2 GLN A 25 -7.630 24.224 3.521 1.00 0.00 N ATOM 0 H GLN A 25 -8.572 19.092 0.954 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.305 21.339 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.995 20.397 2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.023 21.067 0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.801 22.466 2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.059 23.315 1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.278 24.900 2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.059 24.547 4.388 1.00 0.00 H new ATOM 359 N PHE A 26 -9.285 21.880 -0.864 1.00 0.00 N ATOM 360 CA PHE A 26 -9.783 22.772 -1.905 1.00 0.00 C ATOM 361 C PHE A 26 -11.226 23.183 -1.624 1.00 0.00 C ATOM 362 O PHE A 26 -11.547 24.372 -1.580 1.00 0.00 O ATOM 363 CB PHE A 26 -9.691 22.094 -3.274 1.00 0.00 C ATOM 364 CG PHE A 26 -9.785 23.054 -4.425 1.00 0.00 C ATOM 365 CD1 PHE A 26 -11.017 23.408 -4.951 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.640 23.603 -4.981 1.00 0.00 C ATOM 367 CE1 PHE A 26 -11.105 24.291 -6.011 1.00 0.00 C ATOM 368 CE2 PHE A 26 -8.722 24.487 -6.041 1.00 0.00 C ATOM 369 CZ PHE A 26 -9.956 24.832 -6.556 1.00 0.00 C ATOM 0 H PHE A 26 -8.768 21.073 -1.212 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.163 23.668 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.748 21.552 -3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.489 21.357 -3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.918 22.990 -4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.672 23.337 -4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.071 24.558 -6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.822 24.907 -6.466 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.023 25.523 -7.383 1.00 0.00 H new ATOM 379 N LEU A 27 -12.091 22.193 -1.436 1.00 0.00 N ATOM 380 CA LEU A 27 -13.500 22.450 -1.160 1.00 0.00 C ATOM 381 C LEU A 27 -13.674 23.133 0.193 1.00 0.00 C ATOM 382 O LEU A 27 -14.230 24.228 0.280 1.00 0.00 O ATOM 383 CB LEU A 27 -14.293 21.143 -1.190 1.00 0.00 C ATOM 384 CG LEU A 27 -14.775 20.682 -2.566 1.00 0.00 C ATOM 385 CD1 LEU A 27 -13.616 20.631 -3.548 1.00 0.00 C ATOM 386 CD2 LEU A 27 -15.451 19.322 -2.466 1.00 0.00 C ATOM 0 H LEU A 27 -11.842 21.205 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.881 23.116 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.673 20.355 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.162 21.253 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.505 21.403 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.978 20.301 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.175 21.623 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.862 19.932 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.788 19.010 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.742 18.591 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.308 19.390 -1.796 1.00 0.00 H new ATOM 398 N ILE A 28 -13.194 22.480 1.246 1.00 0.00 N ATOM 399 CA ILE A 28 -13.294 23.025 2.594 1.00 0.00 C ATOM 400 C ILE A 28 -13.178 24.546 2.581 1.00 0.00 C ATOM 401 O ILE A 28 -13.840 25.234 3.358 1.00 0.00 O ATOM 402 CB ILE A 28 -12.205 22.447 3.517 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.539 21.002 3.892 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.060 23.304 4.766 1.00 0.00 C ATOM 405 CD1 ILE A 28 -11.402 20.277 4.578 1.00 0.00 C ATOM 0 H ILE A 28 -12.732 21.572 1.191 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.273 22.740 2.978 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.255 22.454 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.410 20.997 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.816 20.456 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.287 22.883 5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.782 24.319 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.007 23.325 5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.710 19.259 4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.536 20.250 3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.140 20.800 5.498 1.00 0.00 H new ATOM 417 N GLU A 29 -12.335 25.063 1.693 1.00 0.00 N ATOM 418 CA GLU A 29 -12.135 26.503 1.579 1.00 0.00 C ATOM 419 C GLU A 29 -12.997 27.085 0.463 1.00 0.00 C ATOM 420 O GLU A 29 -13.535 28.184 0.590 1.00 0.00 O ATOM 421 CB GLU A 29 -10.660 26.815 1.315 1.00 0.00 C ATOM 422 CG GLU A 29 -9.739 26.410 2.453 1.00 0.00 C ATOM 423 CD GLU A 29 -10.225 26.906 3.802 1.00 0.00 C ATOM 424 OE1 GLU A 29 -10.604 28.092 3.897 1.00 0.00 O ATOM 425 OE2 GLU A 29 -10.225 26.107 4.762 1.00 0.00 O ATOM 0 H GLU A 29 -11.780 24.507 1.043 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.433 26.962 2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.346 26.303 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.550 27.884 1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.655 25.324 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.740 26.803 2.264 1.00 0.00 H new ATOM 432 N ASN A 30 -13.123 26.340 -0.630 1.00 0.00 N ATOM 433 CA ASN A 30 -13.918 26.782 -1.770 1.00 0.00 C ATOM 434 C ASN A 30 -15.014 25.771 -2.094 1.00 0.00 C ATOM 435 O ASN A 30 -14.884 24.946 -2.999 1.00 0.00 O ATOM 436 CB ASN A 30 -13.024 26.991 -2.993 1.00 0.00 C ATOM 437 CG ASN A 30 -11.711 27.665 -2.641 1.00 0.00 C ATOM 438 OD1 ASN A 30 -11.656 28.880 -2.452 1.00 0.00 O ATOM 439 ND2 ASN A 30 -10.647 26.876 -2.552 1.00 0.00 N ATOM 0 H ASN A 30 -12.685 25.427 -0.751 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.388 27.729 -1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.821 26.027 -3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.554 27.596 -3.728 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.736 27.272 -2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.740 25.874 -2.717 1.00 0.00 H new ATOM 446 N PRO A 31 -16.120 25.835 -1.338 1.00 0.00 N ATOM 447 CA PRO A 31 -17.261 24.933 -1.526 1.00 0.00 C ATOM 448 C PRO A 31 -18.012 25.212 -2.823 1.00 0.00 C ATOM 449 O PRO A 31 -18.541 24.298 -3.455 1.00 0.00 O ATOM 450 CB PRO A 31 -18.151 25.230 -0.317 1.00 0.00 C ATOM 451 CG PRO A 31 -17.803 26.624 0.076 1.00 0.00 C ATOM 452 CD PRO A 31 -16.343 26.792 -0.241 1.00 0.00 C ATOM 0 HA PRO A 31 -16.950 23.891 -1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.207 25.142 -0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.960 24.530 0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.407 27.346 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.994 26.790 1.136 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.113 27.813 -0.545 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.716 26.568 0.622 1.00 0.00 H new ATOM 460 N LYS A 32 -18.056 26.481 -3.215 1.00 0.00 N ATOM 461 CA LYS A 32 -18.741 26.882 -4.438 1.00 0.00 C ATOM 462 C LYS A 32 -18.304 26.016 -5.615 1.00 0.00 C ATOM 463 O LYS A 32 -18.994 25.937 -6.632 1.00 0.00 O ATOM 464 CB LYS A 32 -18.463 28.355 -4.744 1.00 0.00 C ATOM 465 CG LYS A 32 -19.398 28.947 -5.784 1.00 0.00 C ATOM 466 CD LYS A 32 -20.673 29.478 -5.150 1.00 0.00 C ATOM 467 CE LYS A 32 -20.442 30.821 -4.474 1.00 0.00 C ATOM 468 NZ LYS A 32 -20.420 31.940 -5.456 1.00 0.00 N ATOM 0 H LYS A 32 -17.625 27.250 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.812 26.745 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -18.547 28.931 -3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.435 28.457 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -18.891 29.753 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -19.648 28.187 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.444 29.582 -5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.043 28.760 -4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -21.228 30.998 -3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.498 30.796 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -20.260 32.838 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.654 31.785 -6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -21.330 31.980 -5.957 1.00 0.00 H new ATOM 482 N THR A 33 -17.154 25.365 -5.470 1.00 0.00 N ATOM 483 CA THR A 33 -16.626 24.504 -6.521 1.00 0.00 C ATOM 484 C THR A 33 -16.919 23.037 -6.230 1.00 0.00 C ATOM 485 O THR A 33 -16.628 22.540 -5.142 1.00 0.00 O ATOM 486 CB THR A 33 -15.105 24.688 -6.686 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.814 26.037 -7.071 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.554 23.728 -7.729 1.00 0.00 C ATOM 0 H THR A 33 -16.571 25.418 -4.635 1.00 0.00 H new ATOM 0 HA THR A 33 -17.123 24.794 -7.446 1.00 0.00 H new ATOM 0 HB THR A 33 -14.629 24.472 -5.729 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.845 26.147 -7.172 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.479 23.876 -7.828 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.752 22.702 -7.419 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.036 23.917 -8.688 1.00 0.00 H new ATOM 496 N SER A 34 -17.498 22.348 -7.209 1.00 0.00 N ATOM 497 CA SER A 34 -17.834 20.938 -7.056 1.00 0.00 C ATOM 498 C SER A 34 -16.581 20.070 -7.126 1.00 0.00 C ATOM 499 O SER A 34 -15.520 20.524 -7.556 1.00 0.00 O ATOM 500 CB SER A 34 -18.826 20.508 -8.138 1.00 0.00 C ATOM 501 OG SER A 34 -20.148 20.889 -7.797 1.00 0.00 O ATOM 0 H SER A 34 -17.744 22.744 -8.116 1.00 0.00 H new ATOM 0 HA SER A 34 -18.294 20.804 -6.077 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.548 20.959 -9.091 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.778 19.427 -8.271 1.00 0.00 H new ATOM 0 HG SER A 34 -20.763 20.605 -8.505 1.00 0.00 H new ATOM 507 N LEU A 35 -16.711 18.818 -6.700 1.00 0.00 N ATOM 508 CA LEU A 35 -15.590 17.885 -6.713 1.00 0.00 C ATOM 509 C LEU A 35 -14.896 17.887 -8.072 1.00 0.00 C ATOM 510 O LEU A 35 -13.782 18.390 -8.209 1.00 0.00 O ATOM 511 CB LEU A 35 -16.072 16.473 -6.376 1.00 0.00 C ATOM 512 CG LEU A 35 -16.116 16.116 -4.890 1.00 0.00 C ATOM 513 CD1 LEU A 35 -17.037 14.929 -4.653 1.00 0.00 C ATOM 514 CD2 LEU A 35 -14.717 15.820 -4.371 1.00 0.00 C ATOM 0 H LEU A 35 -17.582 18.426 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.872 18.207 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.072 16.343 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.423 15.759 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 35 -16.512 16.971 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.056 14.689 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.044 15.178 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -16.672 14.068 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.768 15.568 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.294 14.981 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.086 16.698 -4.505 1.00 0.00 H new ATOM 526 N GLU A 36 -15.565 17.323 -9.073 1.00 0.00 N ATOM 527 CA GLU A 36 -15.012 17.261 -10.421 1.00 0.00 C ATOM 528 C GLU A 36 -14.180 18.503 -10.725 1.00 0.00 C ATOM 529 O GLU A 36 -12.963 18.423 -10.891 1.00 0.00 O ATOM 530 CB GLU A 36 -16.136 17.121 -11.450 1.00 0.00 C ATOM 531 CG GLU A 36 -16.911 15.819 -11.332 1.00 0.00 C ATOM 532 CD GLU A 36 -18.037 15.901 -10.320 1.00 0.00 C ATOM 533 OE1 GLU A 36 -18.814 16.877 -10.375 1.00 0.00 O ATOM 534 OE2 GLU A 36 -18.141 14.990 -9.472 1.00 0.00 O ATOM 0 H GLU A 36 -16.489 16.903 -8.976 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.363 16.387 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.827 17.957 -11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.711 17.192 -12.451 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.322 15.555 -12.307 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.228 15.019 -11.047 1.00 0.00 H new ATOM 541 N ASP A 37 -14.846 19.651 -10.797 1.00 0.00 N ATOM 542 CA ASP A 37 -14.170 20.911 -11.081 1.00 0.00 C ATOM 543 C ASP A 37 -12.934 21.074 -10.202 1.00 0.00 C ATOM 544 O ASP A 37 -11.834 21.317 -10.699 1.00 0.00 O ATOM 545 CB ASP A 37 -15.124 22.087 -10.865 1.00 0.00 C ATOM 546 CG ASP A 37 -14.639 23.357 -11.536 1.00 0.00 C ATOM 547 OD1 ASP A 37 -13.472 23.739 -11.308 1.00 0.00 O ATOM 548 OD2 ASP A 37 -15.426 23.969 -12.287 1.00 0.00 O ATOM 0 H ASP A 37 -15.854 19.734 -10.662 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.853 20.898 -12.124 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.109 21.828 -11.253 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.240 22.266 -9.796 1.00 0.00 H new ATOM 553 N ALA A 38 -13.123 20.940 -8.893 1.00 0.00 N ATOM 554 CA ALA A 38 -12.024 21.072 -7.945 1.00 0.00 C ATOM 555 C ALA A 38 -10.823 20.238 -8.378 1.00 0.00 C ATOM 556 O ALA A 38 -9.709 20.750 -8.499 1.00 0.00 O ATOM 557 CB ALA A 38 -12.477 20.664 -6.551 1.00 0.00 C ATOM 0 H ALA A 38 -14.027 20.740 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.719 22.118 -7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.646 20.768 -5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.299 21.305 -6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.811 19.626 -6.566 1.00 0.00 H new ATOM 563 N THR A 39 -11.055 18.950 -8.610 1.00 0.00 N ATOM 564 CA THR A 39 -9.992 18.045 -9.028 1.00 0.00 C ATOM 565 C THR A 39 -9.382 18.487 -10.353 1.00 0.00 C ATOM 566 O THR A 39 -8.171 18.683 -10.457 1.00 0.00 O ATOM 567 CB THR A 39 -10.507 16.600 -9.169 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.276 16.240 -8.016 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.350 15.627 -9.337 1.00 0.00 C ATOM 0 H THR A 39 -11.970 18.510 -8.515 1.00 0.00 H new ATOM 0 HA THR A 39 -9.228 18.076 -8.252 1.00 0.00 H new ATOM 0 HB THR A 39 -11.137 16.547 -10.057 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.601 15.321 -8.114 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.738 14.613 -9.435 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.784 15.886 -10.231 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.698 15.683 -8.465 1.00 0.00 H new ATOM 577 N LEU A 40 -10.229 18.641 -11.366 1.00 0.00 N ATOM 578 CA LEU A 40 -9.773 19.061 -12.686 1.00 0.00 C ATOM 579 C LEU A 40 -8.678 20.117 -12.574 1.00 0.00 C ATOM 580 O LEU A 40 -7.700 20.091 -13.321 1.00 0.00 O ATOM 581 CB LEU A 40 -10.946 19.611 -13.501 1.00 0.00 C ATOM 582 CG LEU A 40 -11.774 18.578 -14.266 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.127 19.157 -14.649 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.025 18.105 -15.503 1.00 0.00 C ATOM 0 H LEU A 40 -11.234 18.481 -11.298 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.361 18.190 -13.195 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.610 20.152 -12.826 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.558 20.337 -14.215 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.940 17.719 -13.616 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.703 18.408 -15.193 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.667 19.446 -13.748 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.982 20.033 -15.282 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.629 17.370 -16.035 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.828 18.955 -16.156 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.080 17.650 -15.205 1.00 0.00 H new ATOM 596 N GLN A 41 -8.848 21.042 -11.636 1.00 0.00 N ATOM 597 CA GLN A 41 -7.873 22.105 -11.425 1.00 0.00 C ATOM 598 C GLN A 41 -6.631 21.572 -10.719 1.00 0.00 C ATOM 599 O GLN A 41 -5.505 21.926 -11.071 1.00 0.00 O ATOM 600 CB GLN A 41 -8.492 23.240 -10.608 1.00 0.00 C ATOM 601 CG GLN A 41 -9.495 24.074 -11.388 1.00 0.00 C ATOM 602 CD GLN A 41 -10.076 25.208 -10.566 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.350 25.924 -9.875 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.391 25.378 -10.636 1.00 0.00 N ATOM 0 H GLN A 41 -9.652 21.077 -11.010 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.577 22.490 -12.401 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.985 22.819 -9.732 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.697 23.890 -10.244 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.010 24.484 -12.274 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.304 23.431 -11.736 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.955 24.761 -11.221 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.838 26.125 -10.104 1.00 0.00 H new ATOM 613 N ILE A 42 -6.843 20.722 -9.720 1.00 0.00 N ATOM 614 CA ILE A 42 -5.741 20.140 -8.965 1.00 0.00 C ATOM 615 C ILE A 42 -4.818 19.333 -9.872 1.00 0.00 C ATOM 616 O ILE A 42 -3.600 19.339 -9.698 1.00 0.00 O ATOM 617 CB ILE A 42 -6.252 19.231 -7.832 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.087 20.040 -6.837 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.085 18.556 -7.127 1.00 0.00 C ATOM 620 CD1 ILE A 42 -8.048 19.197 -6.028 1.00 0.00 C ATOM 0 H ILE A 42 -7.769 20.421 -9.415 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.184 20.970 -8.530 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.886 18.457 -8.265 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.417 20.567 -6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.651 20.798 -7.380 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.463 17.917 -6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.528 17.952 -7.843 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.427 19.315 -6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.606 19.837 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.742 18.691 -6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.489 18.455 -5.457 1.00 0.00 H new ATOM 632 N GLU A 43 -5.408 18.641 -10.842 1.00 0.00 N ATOM 633 CA GLU A 43 -4.638 17.829 -11.778 1.00 0.00 C ATOM 634 C GLU A 43 -3.590 18.674 -12.496 1.00 0.00 C ATOM 635 O GLU A 43 -2.394 18.396 -12.416 1.00 0.00 O ATOM 636 CB GLU A 43 -5.567 17.171 -12.800 1.00 0.00 C ATOM 637 CG GLU A 43 -6.300 15.954 -12.261 1.00 0.00 C ATOM 638 CD GLU A 43 -6.854 15.072 -13.363 1.00 0.00 C ATOM 639 OE1 GLU A 43 -6.134 14.838 -14.356 1.00 0.00 O ATOM 640 OE2 GLU A 43 -8.009 14.615 -13.232 1.00 0.00 O ATOM 0 H GLU A 43 -6.416 18.626 -11.000 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.126 17.052 -11.210 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.298 17.905 -13.139 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.983 16.876 -13.672 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.620 15.370 -11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.117 16.282 -11.618 1.00 0.00 H new ATOM 647 N GLU A 44 -4.050 19.706 -13.197 1.00 0.00 N ATOM 648 CA GLU A 44 -3.152 20.590 -13.931 1.00 0.00 C ATOM 649 C GLU A 44 -2.223 21.336 -12.977 1.00 0.00 C ATOM 650 O GLU A 44 -1.085 21.656 -13.323 1.00 0.00 O ATOM 651 CB GLU A 44 -3.955 21.591 -14.765 1.00 0.00 C ATOM 652 CG GLU A 44 -4.775 22.560 -13.929 1.00 0.00 C ATOM 653 CD GLU A 44 -5.231 23.771 -14.720 1.00 0.00 C ATOM 654 OE1 GLU A 44 -6.132 23.618 -15.571 1.00 0.00 O ATOM 655 OE2 GLU A 44 -4.687 24.870 -14.487 1.00 0.00 O ATOM 0 H GLU A 44 -5.038 19.950 -13.272 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.545 19.977 -14.597 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.270 22.158 -15.396 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.622 21.044 -15.431 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.647 22.042 -13.530 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.182 22.890 -13.076 1.00 0.00 H new ATOM 662 N LEU A 45 -2.716 21.610 -11.774 1.00 0.00 N ATOM 663 CA LEU A 45 -1.932 22.319 -10.769 1.00 0.00 C ATOM 664 C LEU A 45 -0.812 21.435 -10.229 1.00 0.00 C ATOM 665 O LEU A 45 0.070 21.903 -9.509 1.00 0.00 O ATOM 666 CB LEU A 45 -2.833 22.778 -9.621 1.00 0.00 C ATOM 667 CG LEU A 45 -2.145 22.991 -8.272 1.00 0.00 C ATOM 668 CD1 LEU A 45 -1.088 24.080 -8.378 1.00 0.00 C ATOM 669 CD2 LEU A 45 -3.168 23.341 -7.201 1.00 0.00 C ATOM 0 H LEU A 45 -3.655 21.352 -11.471 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.484 23.193 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.313 23.712 -9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.625 22.041 -9.490 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.653 22.062 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.609 24.218 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.339 23.790 -9.115 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.558 25.014 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.661 23.489 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.689 24.257 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.888 22.528 -7.106 1.00 0.00 H new ATOM 681 N TRP A 46 -0.852 20.156 -10.584 1.00 0.00 N ATOM 682 CA TRP A 46 0.161 19.206 -10.137 1.00 0.00 C ATOM 683 C TRP A 46 1.260 19.050 -11.183 1.00 0.00 C ATOM 684 O TRP A 46 2.417 18.797 -10.849 1.00 0.00 O ATOM 685 CB TRP A 46 -0.478 17.848 -9.844 1.00 0.00 C ATOM 686 CG TRP A 46 0.501 16.713 -9.870 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.621 15.757 -10.838 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.495 16.416 -8.884 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.630 14.883 -10.512 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.183 15.266 -9.318 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.873 17.011 -7.677 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.224 14.701 -8.587 1.00 0.00 C ATOM 693 CZ3 TRP A 46 2.906 16.448 -6.952 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.572 15.303 -7.409 1.00 0.00 C ATOM 0 H TRP A 46 -1.575 19.752 -11.180 1.00 0.00 H new ATOM 0 HA TRP A 46 0.609 19.594 -9.222 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.957 17.883 -8.865 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.263 17.658 -10.576 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.013 15.697 -11.728 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.920 14.079 -11.069 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.367 17.895 -7.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.739 13.819 -8.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.205 16.898 -6.017 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.376 14.888 -6.820 1.00 0.00 H new ATOM 705 N LYS A 47 0.890 19.203 -12.450 1.00 0.00 N ATOM 706 CA LYS A 47 1.845 19.080 -13.546 1.00 0.00 C ATOM 707 C LYS A 47 2.686 20.346 -13.678 1.00 0.00 C ATOM 708 O LYS A 47 3.890 20.280 -13.932 1.00 0.00 O ATOM 709 CB LYS A 47 1.111 18.803 -14.860 1.00 0.00 C ATOM 710 CG LYS A 47 0.736 17.344 -15.051 1.00 0.00 C ATOM 711 CD LYS A 47 -0.271 17.170 -16.176 1.00 0.00 C ATOM 712 CE LYS A 47 -1.698 17.328 -15.675 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.650 17.593 -16.789 1.00 0.00 N ATOM 0 H LYS A 47 -0.064 19.412 -12.744 1.00 0.00 H new ATOM 0 HA LYS A 47 2.509 18.245 -13.325 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.206 19.410 -14.896 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.740 19.120 -15.692 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.632 16.763 -15.270 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.319 16.950 -14.124 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.075 17.904 -16.958 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.149 16.185 -16.626 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.000 16.424 -15.147 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.742 18.147 -14.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.612 17.695 -16.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.377 18.470 -17.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.627 16.800 -17.462 1.00 0.00 H new ATOM 727 N THR A 48 2.047 21.498 -13.502 1.00 0.00 N ATOM 728 CA THR A 48 2.736 22.778 -13.601 1.00 0.00 C ATOM 729 C THR A 48 3.815 22.906 -12.531 1.00 0.00 C ATOM 730 O THR A 48 4.627 23.831 -12.561 1.00 0.00 O ATOM 731 CB THR A 48 1.754 23.957 -13.468 1.00 0.00 C ATOM 732 OG1 THR A 48 2.424 25.188 -13.760 1.00 0.00 O ATOM 733 CG2 THR A 48 1.165 24.015 -12.066 1.00 0.00 C ATOM 0 H THR A 48 1.052 21.571 -13.290 1.00 0.00 H new ATOM 0 HA THR A 48 3.200 22.811 -14.587 1.00 0.00 H new ATOM 0 HB THR A 48 0.943 23.807 -14.180 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.374 25.106 -13.532 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.475 24.856 -11.996 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.631 23.088 -11.857 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.967 24.143 -11.339 1.00 0.00 H new ATOM 741 N LEU A 49 3.818 21.971 -11.587 1.00 0.00 N ATOM 742 CA LEU A 49 4.798 21.979 -10.506 1.00 0.00 C ATOM 743 C LEU A 49 6.207 21.756 -11.048 1.00 0.00 C ATOM 744 O LEU A 49 6.387 21.419 -12.218 1.00 0.00 O ATOM 745 CB LEU A 49 4.459 20.901 -9.476 1.00 0.00 C ATOM 746 CG LEU A 49 3.326 21.234 -8.505 1.00 0.00 C ATOM 747 CD1 LEU A 49 3.048 20.056 -7.584 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.665 22.477 -7.695 1.00 0.00 C ATOM 0 H LEU A 49 3.153 21.198 -11.548 1.00 0.00 H new ATOM 0 HA LEU A 49 4.764 22.956 -10.024 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.197 19.987 -10.009 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.356 20.686 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 49 2.425 21.436 -9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.239 20.312 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.760 19.189 -8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.946 19.822 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.847 22.699 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.578 22.303 -7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.813 23.321 -8.369 1.00 0.00 H new ATOM 760 N SER A 50 7.203 21.945 -10.187 1.00 0.00 N ATOM 761 CA SER A 50 8.596 21.765 -10.579 1.00 0.00 C ATOM 762 C SER A 50 9.064 20.343 -10.287 1.00 0.00 C ATOM 763 O SER A 50 8.507 19.660 -9.428 1.00 0.00 O ATOM 764 CB SER A 50 9.487 22.769 -9.845 1.00 0.00 C ATOM 765 OG SER A 50 9.434 24.044 -10.460 1.00 0.00 O ATOM 0 H SER A 50 7.071 22.222 -9.214 1.00 0.00 H new ATOM 0 HA SER A 50 8.671 21.939 -11.652 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.169 22.850 -8.806 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.516 22.409 -9.837 1.00 0.00 H new ATOM 0 HG SER A 50 10.011 24.667 -9.971 1.00 0.00 H new ATOM 771 N GLU A 51 10.090 19.904 -11.010 1.00 0.00 N ATOM 772 CA GLU A 51 10.632 18.563 -10.829 1.00 0.00 C ATOM 773 C GLU A 51 10.838 18.254 -9.349 1.00 0.00 C ATOM 774 O GLU A 51 10.209 17.349 -8.801 1.00 0.00 O ATOM 775 CB GLU A 51 11.958 18.419 -11.580 1.00 0.00 C ATOM 776 CG GLU A 51 12.276 16.990 -11.986 1.00 0.00 C ATOM 777 CD GLU A 51 13.662 16.848 -12.584 1.00 0.00 C ATOM 778 OE1 GLU A 51 13.916 17.460 -13.642 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.492 16.125 -11.994 1.00 0.00 O ATOM 0 H GLU A 51 10.562 20.457 -11.726 1.00 0.00 H new ATOM 0 HA GLU A 51 9.913 17.851 -11.235 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.930 19.044 -12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.764 18.797 -10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.192 16.341 -11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.536 16.648 -12.709 1.00 0.00 H new ATOM 786 N GLU A 52 11.722 19.012 -8.709 1.00 0.00 N ATOM 787 CA GLU A 52 12.011 18.818 -7.293 1.00 0.00 C ATOM 788 C GLU A 52 10.722 18.692 -6.487 1.00 0.00 C ATOM 789 O GLU A 52 10.598 17.821 -5.627 1.00 0.00 O ATOM 790 CB GLU A 52 12.849 19.981 -6.757 1.00 0.00 C ATOM 791 CG GLU A 52 13.318 19.784 -5.325 1.00 0.00 C ATOM 792 CD GLU A 52 14.629 19.026 -5.239 1.00 0.00 C ATOM 793 OE1 GLU A 52 14.922 18.239 -6.163 1.00 0.00 O ATOM 794 OE2 GLU A 52 15.363 19.222 -4.248 1.00 0.00 O ATOM 0 H GLU A 52 12.250 19.766 -9.148 1.00 0.00 H new ATOM 0 HA GLU A 52 12.577 17.892 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.719 20.118 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.262 20.898 -6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.433 20.757 -4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.553 19.244 -4.767 1.00 0.00 H new ATOM 801 N GLU A 53 9.765 19.570 -6.771 1.00 0.00 N ATOM 802 CA GLU A 53 8.485 19.558 -6.071 1.00 0.00 C ATOM 803 C GLU A 53 7.853 18.170 -6.118 1.00 0.00 C ATOM 804 O GLU A 53 7.458 17.620 -5.089 1.00 0.00 O ATOM 805 CB GLU A 53 7.533 20.586 -6.686 1.00 0.00 C ATOM 806 CG GLU A 53 6.467 21.081 -5.723 1.00 0.00 C ATOM 807 CD GLU A 53 7.013 21.341 -4.333 1.00 0.00 C ATOM 808 OE1 GLU A 53 7.050 20.390 -3.523 1.00 0.00 O ATOM 809 OE2 GLU A 53 7.403 22.493 -4.054 1.00 0.00 O ATOM 0 H GLU A 53 9.851 20.298 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 53 8.667 19.820 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.112 21.438 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.048 20.144 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.027 21.998 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.666 20.344 -5.663 1.00 0.00 H new ATOM 816 N LYS A 54 7.760 17.609 -7.318 1.00 0.00 N ATOM 817 CA LYS A 54 7.177 16.285 -7.502 1.00 0.00 C ATOM 818 C LYS A 54 8.009 15.221 -6.793 1.00 0.00 C ATOM 819 O LYS A 54 7.479 14.405 -6.038 1.00 0.00 O ATOM 820 CB LYS A 54 7.069 15.954 -8.992 1.00 0.00 C ATOM 821 CG LYS A 54 6.750 17.159 -9.861 1.00 0.00 C ATOM 822 CD LYS A 54 6.169 16.741 -11.201 1.00 0.00 C ATOM 823 CE LYS A 54 4.686 16.422 -11.091 1.00 0.00 C ATOM 824 NZ LYS A 54 4.244 15.465 -12.142 1.00 0.00 N ATOM 0 H LYS A 54 8.081 18.051 -8.179 1.00 0.00 H new ATOM 0 HA LYS A 54 6.178 16.292 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.008 15.513 -9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.295 15.200 -9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.042 17.806 -9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.656 17.743 -10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.317 17.539 -11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.703 15.867 -11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.477 16.002 -10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.109 17.343 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.320 15.066 -11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.162 15.962 -13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.941 14.698 -12.228 1.00 0.00 H new ATOM 838 N LEU A 55 9.314 15.236 -7.039 1.00 0.00 N ATOM 839 CA LEU A 55 10.220 14.273 -6.423 1.00 0.00 C ATOM 840 C LEU A 55 9.791 13.960 -4.993 1.00 0.00 C ATOM 841 O LEU A 55 9.527 12.807 -4.651 1.00 0.00 O ATOM 842 CB LEU A 55 11.652 14.812 -6.432 1.00 0.00 C ATOM 843 CG LEU A 55 12.492 14.466 -7.661 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.965 13.022 -7.595 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.698 14.711 -8.936 1.00 0.00 C ATOM 0 H LEU A 55 9.769 15.905 -7.661 1.00 0.00 H new ATOM 0 HA LEU A 55 10.182 13.352 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.611 15.897 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.166 14.435 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 55 13.368 15.114 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.561 12.794 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.571 12.878 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.102 12.358 -7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.312 14.459 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.803 14.089 -8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.410 15.761 -8.989 1.00 0.00 H new ATOM 857 N LYS A 56 9.722 14.994 -4.161 1.00 0.00 N ATOM 858 CA LYS A 56 9.322 14.831 -2.769 1.00 0.00 C ATOM 859 C LYS A 56 8.153 13.859 -2.649 1.00 0.00 C ATOM 860 O LYS A 56 8.120 13.019 -1.749 1.00 0.00 O ATOM 861 CB LYS A 56 8.939 16.184 -2.166 1.00 0.00 C ATOM 862 CG LYS A 56 10.105 16.917 -1.525 1.00 0.00 C ATOM 863 CD LYS A 56 9.906 18.422 -1.563 1.00 0.00 C ATOM 864 CE LYS A 56 10.382 19.014 -2.880 1.00 0.00 C ATOM 865 NZ LYS A 56 10.168 20.487 -2.937 1.00 0.00 N ATOM 0 H LYS A 56 9.938 15.955 -4.427 1.00 0.00 H new ATOM 0 HA LYS A 56 10.169 14.422 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.511 16.812 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.161 16.032 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.217 16.590 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.028 16.658 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.851 18.654 -1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.449 18.883 -0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.441 18.796 -3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.852 18.538 -3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.611 20.869 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.148 20.689 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.595 20.933 -2.100 1.00 0.00 H new ATOM 879 N TYR A 57 7.195 13.978 -3.562 1.00 0.00 N ATOM 880 CA TYR A 57 6.023 13.110 -3.558 1.00 0.00 C ATOM 881 C TYR A 57 6.322 11.788 -4.257 1.00 0.00 C ATOM 882 O TYR A 57 5.742 10.754 -3.927 1.00 0.00 O ATOM 883 CB TYR A 57 4.845 13.806 -4.240 1.00 0.00 C ATOM 884 CG TYR A 57 3.992 14.620 -3.294 1.00 0.00 C ATOM 885 CD1 TYR A 57 4.279 15.957 -3.044 1.00 0.00 C ATOM 886 CD2 TYR A 57 2.899 14.054 -2.650 1.00 0.00 C ATOM 887 CE1 TYR A 57 3.503 16.705 -2.180 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.117 14.794 -1.785 1.00 0.00 C ATOM 889 CZ TYR A 57 2.423 16.119 -1.553 1.00 0.00 C ATOM 890 OH TYR A 57 1.646 16.860 -0.691 1.00 0.00 O ATOM 0 H TYR A 57 7.207 14.667 -4.314 1.00 0.00 H new ATOM 0 HA TYR A 57 5.761 12.900 -2.521 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.225 14.459 -5.026 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.221 13.055 -4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.123 16.419 -3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.656 13.017 -2.829 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.740 17.742 -1.996 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.271 14.338 -1.293 1.00 0.00 H new ATOM 0 HH TYR A 57 0.926 16.299 -0.335 1.00 0.00 H new ATOM 900 N GLU A 58 7.232 11.830 -5.226 1.00 0.00 N ATOM 901 CA GLU A 58 7.608 10.636 -5.973 1.00 0.00 C ATOM 902 C GLU A 58 8.318 9.631 -5.070 1.00 0.00 C ATOM 903 O GLU A 58 8.444 8.456 -5.412 1.00 0.00 O ATOM 904 CB GLU A 58 8.511 11.007 -7.151 1.00 0.00 C ATOM 905 CG GLU A 58 7.831 11.889 -8.185 1.00 0.00 C ATOM 906 CD GLU A 58 6.661 11.200 -8.860 1.00 0.00 C ATOM 907 OE1 GLU A 58 6.637 9.952 -8.879 1.00 0.00 O ATOM 908 OE2 GLU A 58 5.769 11.910 -9.370 1.00 0.00 O ATOM 0 H GLU A 58 7.722 12.678 -5.511 1.00 0.00 H new ATOM 0 HA GLU A 58 6.697 10.175 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.395 11.520 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.856 10.093 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.482 12.803 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.559 12.184 -8.940 1.00 0.00 H new ATOM 915 N GLU A 59 8.781 10.104 -3.917 1.00 0.00 N ATOM 916 CA GLU A 59 9.480 9.247 -2.966 1.00 0.00 C ATOM 917 C GLU A 59 8.496 8.363 -2.206 1.00 0.00 C ATOM 918 O GLU A 59 8.845 7.272 -1.754 1.00 0.00 O ATOM 919 CB GLU A 59 10.288 10.094 -1.981 1.00 0.00 C ATOM 920 CG GLU A 59 9.477 10.587 -0.794 1.00 0.00 C ATOM 921 CD GLU A 59 10.124 11.766 -0.094 1.00 0.00 C ATOM 922 OE1 GLU A 59 10.352 12.799 -0.758 1.00 0.00 O ATOM 923 OE2 GLU A 59 10.403 11.656 1.118 1.00 0.00 O ATOM 0 H GLU A 59 8.685 11.075 -3.619 1.00 0.00 H new ATOM 0 HA GLU A 59 10.161 8.605 -3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.131 9.507 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.703 10.953 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.481 10.872 -1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.350 9.772 -0.082 1.00 0.00 H new ATOM 930 N LYS A 60 7.264 8.841 -2.068 1.00 0.00 N ATOM 931 CA LYS A 60 6.228 8.095 -1.363 1.00 0.00 C ATOM 932 C LYS A 60 5.753 6.907 -2.193 1.00 0.00 C ATOM 933 O LYS A 60 5.751 5.770 -1.722 1.00 0.00 O ATOM 934 CB LYS A 60 5.045 9.010 -1.038 1.00 0.00 C ATOM 935 CG LYS A 60 5.370 10.085 -0.016 1.00 0.00 C ATOM 936 CD LYS A 60 4.257 11.115 0.082 1.00 0.00 C ATOM 937 CE LYS A 60 3.169 10.670 1.047 1.00 0.00 C ATOM 938 NZ LYS A 60 1.914 11.452 0.868 1.00 0.00 N ATOM 0 H LYS A 60 6.958 9.742 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 60 6.655 7.718 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.702 9.486 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.219 8.404 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.528 9.625 0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.302 10.580 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.670 12.068 0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.824 11.280 -0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.961 9.611 0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.524 10.783 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.198 11.118 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.106 12.460 1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.561 11.324 -0.102 1.00 0.00 H new ATOM 952 N ALA A 61 5.352 7.178 -3.431 1.00 0.00 N ATOM 953 CA ALA A 61 4.879 6.130 -4.327 1.00 0.00 C ATOM 954 C ALA A 61 5.923 5.031 -4.486 1.00 0.00 C ATOM 955 O ALA A 61 5.618 3.845 -4.351 1.00 0.00 O ATOM 956 CB ALA A 61 4.518 6.719 -5.683 1.00 0.00 C ATOM 0 H ALA A 61 5.345 8.114 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 61 3.986 5.685 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.166 5.926 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.731 7.463 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.398 7.191 -6.121 1.00 0.00 H new ATOM 962 N THR A 62 7.158 5.431 -4.775 1.00 0.00 N ATOM 963 CA THR A 62 8.247 4.479 -4.955 1.00 0.00 C ATOM 964 C THR A 62 8.343 3.523 -3.772 1.00 0.00 C ATOM 965 O THR A 62 8.449 2.309 -3.948 1.00 0.00 O ATOM 966 CB THR A 62 9.598 5.199 -5.130 1.00 0.00 C ATOM 967 OG1 THR A 62 10.666 4.246 -5.109 1.00 0.00 O ATOM 968 CG2 THR A 62 9.809 6.229 -4.031 1.00 0.00 C ATOM 0 H THR A 62 7.429 6.408 -4.889 1.00 0.00 H new ATOM 0 HA THR A 62 8.025 3.912 -5.859 1.00 0.00 H new ATOM 0 HB THR A 62 9.589 5.714 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.521 4.711 -5.222 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.769 6.724 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.010 6.969 -4.068 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.799 5.733 -3.061 1.00 0.00 H new ATOM 976 N LYS A 63 8.304 4.077 -2.565 1.00 0.00 N ATOM 977 CA LYS A 63 8.384 3.274 -1.351 1.00 0.00 C ATOM 978 C LYS A 63 7.302 2.198 -1.337 1.00 0.00 C ATOM 979 O LYS A 63 7.486 1.127 -0.759 1.00 0.00 O ATOM 980 CB LYS A 63 8.247 4.165 -0.114 1.00 0.00 C ATOM 981 CG LYS A 63 8.459 3.426 1.195 1.00 0.00 C ATOM 982 CD LYS A 63 8.967 4.355 2.285 1.00 0.00 C ATOM 983 CE LYS A 63 7.822 5.058 2.997 1.00 0.00 C ATOM 984 NZ LYS A 63 7.355 6.257 2.247 1.00 0.00 N ATOM 0 H LYS A 63 8.217 5.080 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 63 9.358 2.786 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.968 4.980 -0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.255 4.616 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.521 2.970 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.172 2.616 1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.551 3.785 3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.636 5.097 1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.992 4.363 3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.143 5.356 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.879 6.912 2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.171 6.734 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.689 5.964 1.504 1.00 0.00 H new ATOM 998 N ASP A 64 6.176 2.491 -1.978 1.00 0.00 N ATOM 999 CA ASP A 64 5.065 1.548 -2.042 1.00 0.00 C ATOM 1000 C ASP A 64 5.264 0.551 -3.179 1.00 0.00 C ATOM 1001 O ASP A 64 5.002 -0.643 -3.026 1.00 0.00 O ATOM 1002 CB ASP A 64 3.744 2.295 -2.227 1.00 0.00 C ATOM 1003 CG ASP A 64 3.183 2.812 -0.917 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.510 2.032 -0.210 1.00 0.00 O ATOM 1005 OD2 ASP A 64 3.417 3.996 -0.598 1.00 0.00 O ATOM 0 H ASP A 64 6.008 3.374 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 64 5.033 0.998 -1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.895 3.131 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.017 1.631 -2.693 1.00 0.00 H new ATOM 1010 N LEU A 65 5.727 1.048 -4.321 1.00 0.00 N ATOM 1011 CA LEU A 65 5.960 0.201 -5.486 1.00 0.00 C ATOM 1012 C LEU A 65 6.507 -1.161 -5.068 1.00 0.00 C ATOM 1013 O LEU A 65 6.272 -2.166 -5.739 1.00 0.00 O ATOM 1014 CB LEU A 65 6.935 0.881 -6.449 1.00 0.00 C ATOM 1015 CG LEU A 65 7.337 0.070 -7.681 1.00 0.00 C ATOM 1016 CD1 LEU A 65 6.167 -0.051 -8.645 1.00 0.00 C ATOM 1017 CD2 LEU A 65 8.535 0.706 -8.370 1.00 0.00 C ATOM 0 H LEU A 65 5.948 2.033 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 65 5.006 0.050 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.489 1.817 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.839 1.138 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 65 7.619 -0.932 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.472 -0.631 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.336 -0.552 -8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.853 0.943 -8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.807 0.116 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.280 1.719 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.377 0.740 -7.678 1.00 0.00 H new