USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.453 F(o=-1.4,f=-0.45) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.021 X(o=-0.021,f=-0.2) USER MOD Single : A 45 SER OG : rot -100:sc= -0.0432 USER MOD Single : A 48 TYR OH : rot -47:sc= 0.496 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -129:sc= -0.907 (180deg=-1.19) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N GLY A 9 -10.924 -6.049 7.925 1.00 0.00 N ATOM 83 CA GLY A 9 -10.144 -5.630 9.073 1.00 0.00 C ATOM 84 C GLY A 9 -8.778 -5.100 8.684 1.00 0.00 C ATOM 85 O GLY A 9 -8.275 -4.152 9.288 1.00 0.00 O ATOM 0 HA2 GLY A 9 -10.689 -4.858 9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.023 -6.473 9.753 1.00 0.00 H new ATOM 89 N THR A 10 -8.174 -5.713 7.671 1.00 0.00 N ATOM 90 CA THR A 10 -6.857 -5.300 7.203 1.00 0.00 C ATOM 91 C THR A 10 -6.924 -3.954 6.491 1.00 0.00 C ATOM 92 O THR A 10 -6.014 -3.133 6.608 1.00 0.00 O ATOM 93 CB THR A 10 -6.246 -6.343 6.248 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.152 -7.612 6.906 1.00 0.00 O ATOM 95 CG2 THR A 10 -4.867 -5.905 5.779 1.00 0.00 C ATOM 0 H THR A 10 -8.576 -6.498 7.159 1.00 0.00 H new ATOM 0 HA THR A 10 -6.223 -5.211 8.085 1.00 0.00 H new ATOM 0 HB THR A 10 -6.896 -6.432 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.764 -8.271 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.456 -6.657 5.106 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.947 -4.953 5.254 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.209 -5.790 6.640 1.00 0.00 H new ATOM 103 N ILE A 11 -8.008 -3.733 5.754 1.00 0.00 N ATOM 104 CA ILE A 11 -8.194 -2.485 5.024 1.00 0.00 C ATOM 105 C ILE A 11 -8.375 -1.311 5.980 1.00 0.00 C ATOM 106 O ILE A 11 -7.599 -0.355 5.959 1.00 0.00 O ATOM 107 CB ILE A 11 -9.411 -2.559 4.084 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.237 -3.700 3.079 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.602 -1.234 3.361 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.465 -4.574 2.940 1.00 0.00 C ATOM 0 H ILE A 11 -8.770 -4.402 5.647 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.294 -2.330 4.429 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.302 -2.757 4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.987 -3.280 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.393 -4.318 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.466 -1.301 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.765 -0.441 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.712 -1.009 2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.271 -5.361 2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.704 -5.022 3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.306 -3.968 2.603 1.00 0.00 H new ATOM 122 N ASP A 12 -9.402 -1.391 6.819 1.00 0.00 N ATOM 123 CA ASP A 12 -9.684 -0.336 7.786 1.00 0.00 C ATOM 124 C ASP A 12 -8.391 0.226 8.368 1.00 0.00 C ATOM 125 O ASP A 12 -8.287 1.424 8.629 1.00 0.00 O ATOM 126 CB ASP A 12 -10.574 -0.870 8.908 1.00 0.00 C ATOM 127 CG ASP A 12 -11.166 0.241 9.755 1.00 0.00 C ATOM 128 OD1 ASP A 12 -10.429 0.810 10.586 1.00 0.00 O ATOM 129 OD2 ASP A 12 -12.367 0.540 9.586 1.00 0.00 O ATOM 0 H ASP A 12 -10.053 -2.175 6.849 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.208 0.468 7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.380 -1.464 8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.992 -1.537 9.544 1.00 0.00 H new ATOM 134 N GLN A 13 -7.410 -0.647 8.571 1.00 0.00 N ATOM 135 CA GLN A 13 -6.125 -0.237 9.124 1.00 0.00 C ATOM 136 C GLN A 13 -5.187 0.246 8.024 1.00 0.00 C ATOM 137 O GLN A 13 -4.591 1.319 8.128 1.00 0.00 O ATOM 138 CB GLN A 13 -5.481 -1.396 9.887 1.00 0.00 C ATOM 139 CG GLN A 13 -6.103 -1.650 11.250 1.00 0.00 C ATOM 140 CD GLN A 13 -6.291 -3.125 11.541 1.00 0.00 C ATOM 141 OE1 GLN A 13 -7.542 -3.544 11.693 1.00 0.00 O flip ATOM 142 NE2 GLN A 13 -5.323 -3.881 11.628 1.00 0.00 N flip ATOM 0 H GLN A 13 -7.480 -1.643 8.361 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.302 0.589 9.813 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.559 -2.303 9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.418 -1.189 10.015 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.471 -1.209 12.021 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.069 -1.147 11.304 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.378 -3.516 11.504 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.466 -4.872 11.824 1.00 0.00 H new ATOM 151 N LEU A 14 -5.061 -0.550 6.968 1.00 0.00 N ATOM 152 CA LEU A 14 -4.195 -0.204 5.847 1.00 0.00 C ATOM 153 C LEU A 14 -4.477 1.214 5.358 1.00 0.00 C ATOM 154 O LEU A 14 -3.609 2.084 5.413 1.00 0.00 O ATOM 155 CB LEU A 14 -4.389 -1.198 4.701 1.00 0.00 C ATOM 156 CG LEU A 14 -3.626 -0.893 3.410 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.126 -0.954 3.650 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.032 -1.862 2.309 1.00 0.00 C ATOM 0 H LEU A 14 -5.548 -1.440 6.865 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.162 -0.252 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.091 -2.187 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.452 -1.249 4.467 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.881 0.117 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.600 -0.735 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.848 -0.220 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.853 -1.951 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.480 -1.630 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.807 -2.882 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.101 -1.769 2.118 1.00 0.00 H new ATOM 170 N VAL A 15 -5.698 1.439 4.883 1.00 0.00 N ATOM 171 CA VAL A 15 -6.096 2.751 4.388 1.00 0.00 C ATOM 172 C VAL A 15 -5.571 3.862 5.292 1.00 0.00 C ATOM 173 O VAL A 15 -4.971 4.828 4.822 1.00 0.00 O ATOM 174 CB VAL A 15 -7.628 2.871 4.285 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.043 4.329 4.168 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.146 2.063 3.104 1.00 0.00 C ATOM 0 H VAL A 15 -6.429 0.729 4.831 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.662 2.859 3.394 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.070 2.466 5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.129 4.394 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.704 4.875 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.594 4.765 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.230 2.158 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.698 2.437 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.881 1.014 3.236 1.00 0.00 H new ATOM 186 N LYS A 16 -5.800 3.716 6.592 1.00 0.00 N ATOM 187 CA LYS A 16 -5.349 4.705 7.565 1.00 0.00 C ATOM 188 C LYS A 16 -3.888 5.072 7.329 1.00 0.00 C ATOM 189 O LYS A 16 -3.494 6.228 7.491 1.00 0.00 O ATOM 190 CB LYS A 16 -5.528 4.170 8.987 1.00 0.00 C ATOM 191 CG LYS A 16 -4.226 3.759 9.651 1.00 0.00 C ATOM 192 CD LYS A 16 -4.474 2.998 10.943 1.00 0.00 C ATOM 193 CE LYS A 16 -3.668 3.577 12.095 1.00 0.00 C ATOM 194 NZ LYS A 16 -4.485 4.496 12.935 1.00 0.00 N ATOM 0 H LYS A 16 -6.296 2.922 6.997 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.956 5.602 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.011 4.935 9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.200 3.312 8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.648 3.137 8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.627 4.646 9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.536 3.031 11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.211 1.949 10.805 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.283 2.766 12.713 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.806 4.115 11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.900 4.870 13.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.832 5.284 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.294 3.977 13.332 1.00 0.00 H new ATOM 208 N ARG A 17 -3.088 4.083 6.943 1.00 0.00 N ATOM 209 CA ARG A 17 -1.670 4.302 6.685 1.00 0.00 C ATOM 210 C ARG A 17 -1.473 5.238 5.496 1.00 0.00 C ATOM 211 O ARG A 17 -1.073 6.391 5.658 1.00 0.00 O ATOM 212 CB ARG A 17 -0.965 2.971 6.422 1.00 0.00 C ATOM 213 CG ARG A 17 -1.181 1.940 7.518 1.00 0.00 C ATOM 214 CD ARG A 17 -0.110 0.861 7.487 1.00 0.00 C ATOM 215 NE ARG A 17 0.096 0.257 8.801 1.00 0.00 N ATOM 216 CZ ARG A 17 -0.668 -0.711 9.292 1.00 0.00 C ATOM 217 NH1 ARG A 17 -1.684 -1.183 8.584 1.00 0.00 N ATOM 218 NH2 ARG A 17 -0.416 -1.210 10.496 1.00 0.00 N ATOM 0 H ARG A 17 -3.398 3.122 6.802 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.233 4.767 7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.320 2.563 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.104 3.152 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.174 2.434 8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.163 1.483 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.395 0.088 6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.828 1.291 7.134 1.00 0.00 H new ATOM 0 HE ARG A 17 0.869 0.598 9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.881 -0.802 7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.269 -1.927 8.965 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.365 -0.850 11.044 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.003 -1.954 10.873 1.00 0.00 H new ATOM 232 N VAL A 18 -1.756 4.734 4.299 1.00 0.00 N ATOM 233 CA VAL A 18 -1.610 5.524 3.082 1.00 0.00 C ATOM 234 C VAL A 18 -2.088 6.956 3.296 1.00 0.00 C ATOM 235 O VAL A 18 -1.658 7.874 2.598 1.00 0.00 O ATOM 236 CB VAL A 18 -2.396 4.902 1.912 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.901 3.492 1.626 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.887 4.901 2.212 1.00 0.00 C ATOM 0 H VAL A 18 -2.088 3.782 4.146 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.549 5.531 2.834 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.228 5.508 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.468 3.069 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.843 3.524 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.037 2.872 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.426 4.458 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.076 4.319 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.229 5.925 2.363 1.00 0.00 H new ATOM 248 N ILE A 19 -2.978 7.138 4.266 1.00 0.00 N ATOM 249 CA ILE A 19 -3.513 8.458 4.573 1.00 0.00 C ATOM 250 C ILE A 19 -2.483 9.311 5.306 1.00 0.00 C ATOM 251 O ILE A 19 -2.218 10.449 4.921 1.00 0.00 O ATOM 252 CB ILE A 19 -4.789 8.364 5.430 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.894 7.637 4.660 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.252 9.752 5.846 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.711 8.549 3.770 1.00 0.00 C ATOM 0 H ILE A 19 -3.343 6.388 4.852 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.760 8.928 3.621 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.562 7.793 6.330 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.445 6.854 4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.558 7.146 5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.155 9.668 6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.469 10.238 6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.465 10.346 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.475 7.966 3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.189 9.318 4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.058 9.021 3.035 1.00 0.00 H new ATOM 267 N GLU A 20 -1.907 8.752 6.366 1.00 0.00 N ATOM 268 CA GLU A 20 -0.905 9.462 7.153 1.00 0.00 C ATOM 269 C GLU A 20 0.485 9.286 6.550 1.00 0.00 C ATOM 270 O GLU A 20 1.439 9.947 6.958 1.00 0.00 O ATOM 271 CB GLU A 20 -0.913 8.962 8.599 1.00 0.00 C ATOM 272 CG GLU A 20 -2.296 8.591 9.108 1.00 0.00 C ATOM 273 CD GLU A 20 -2.709 9.402 10.320 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.599 10.645 10.269 1.00 0.00 O ATOM 275 OE2 GLU A 20 -3.142 8.794 11.321 1.00 0.00 O ATOM 0 H GLU A 20 -2.117 7.811 6.699 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.155 10.523 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.261 8.092 8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.493 9.734 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.024 8.740 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.313 7.531 9.362 1.00 0.00 H new ATOM 282 N GLY A 21 0.592 8.388 5.575 1.00 0.00 N ATOM 283 CA GLY A 21 1.870 8.140 4.932 1.00 0.00 C ATOM 284 C GLY A 21 2.802 7.312 5.794 1.00 0.00 C ATOM 285 O GLY A 21 3.912 6.981 5.378 1.00 0.00 O ATOM 0 H GLY A 21 -0.183 7.828 5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.703 7.626 3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.346 9.092 4.698 1.00 0.00 H new ATOM 289 N SER A 22 2.350 6.978 6.999 1.00 0.00 N ATOM 290 CA SER A 22 3.155 6.188 7.924 1.00 0.00 C ATOM 291 C SER A 22 3.912 5.089 7.184 1.00 0.00 C ATOM 292 O SER A 22 4.961 4.629 7.635 1.00 0.00 O ATOM 293 CB SER A 22 2.267 5.571 9.007 1.00 0.00 C ATOM 294 OG SER A 22 2.975 4.597 9.754 1.00 0.00 O ATOM 0 H SER A 22 1.432 7.242 7.357 1.00 0.00 H new ATOM 0 HA SER A 22 3.881 6.852 8.394 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.905 6.353 9.674 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.391 5.114 8.547 1.00 0.00 H new ATOM 0 HG SER A 22 2.386 4.219 10.440 1.00 0.00 H new ATOM 300 N LEU A 23 3.370 4.671 6.044 1.00 0.00 N ATOM 301 CA LEU A 23 3.993 3.626 5.240 1.00 0.00 C ATOM 302 C LEU A 23 4.739 4.224 4.051 1.00 0.00 C ATOM 303 O LEU A 23 4.297 5.211 3.463 1.00 0.00 O ATOM 304 CB LEU A 23 2.936 2.635 4.748 1.00 0.00 C ATOM 305 CG LEU A 23 2.334 2.925 3.373 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.757 1.656 2.765 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.266 4.003 3.475 1.00 0.00 C ATOM 0 H LEU A 23 2.501 5.040 5.657 1.00 0.00 H new ATOM 0 HA LEU A 23 4.712 3.099 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.382 1.641 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.127 2.605 5.478 1.00 0.00 H new ATOM 0 HG LEU A 23 3.127 3.289 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.333 1.882 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.547 0.913 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.977 1.262 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.849 4.196 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.474 3.668 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.709 4.918 3.867 1.00 0.00 H new ATOM 319 N SER A 24 5.870 3.619 3.703 1.00 0.00 N ATOM 320 CA SER A 24 6.676 4.092 2.585 1.00 0.00 C ATOM 321 C SER A 24 5.859 4.120 1.297 1.00 0.00 C ATOM 322 O SER A 24 4.838 3.444 1.165 1.00 0.00 O ATOM 323 CB SER A 24 7.907 3.201 2.403 1.00 0.00 C ATOM 324 OG SER A 24 9.055 3.790 2.989 1.00 0.00 O ATOM 0 H SER A 24 6.248 2.800 4.179 1.00 0.00 H new ATOM 0 HA SER A 24 7.001 5.108 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.724 2.226 2.855 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.083 3.032 1.341 1.00 0.00 H new ATOM 0 HG SER A 24 9.827 3.200 2.860 1.00 0.00 H new ATOM 330 N PRO A 25 6.318 4.921 0.323 1.00 0.00 N ATOM 331 CA PRO A 25 5.645 5.056 -0.973 1.00 0.00 C ATOM 332 C PRO A 25 5.760 3.794 -1.820 1.00 0.00 C ATOM 333 O PRO A 25 4.887 3.499 -2.636 1.00 0.00 O ATOM 334 CB PRO A 25 6.387 6.217 -1.637 1.00 0.00 C ATOM 335 CG PRO A 25 7.735 6.218 -1.004 1.00 0.00 C ATOM 336 CD PRO A 25 7.528 5.754 0.412 1.00 0.00 C ATOM 0 HA PRO A 25 4.574 5.225 -0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.457 6.077 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.871 7.163 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.417 5.555 -1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.177 7.214 -1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.382 5.184 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.389 6.593 1.094 1.00 0.00 H new ATOM 344 N LYS A 26 6.845 3.052 -1.623 1.00 0.00 N ATOM 345 CA LYS A 26 7.074 1.819 -2.367 1.00 0.00 C ATOM 346 C LYS A 26 6.274 0.665 -1.772 1.00 0.00 C ATOM 347 O LYS A 26 5.870 -0.254 -2.483 1.00 0.00 O ATOM 348 CB LYS A 26 8.565 1.472 -2.371 1.00 0.00 C ATOM 349 CG LYS A 26 8.926 0.352 -3.331 1.00 0.00 C ATOM 350 CD LYS A 26 8.949 0.837 -4.771 1.00 0.00 C ATOM 351 CE LYS A 26 9.718 -0.121 -5.669 1.00 0.00 C ATOM 352 NZ LYS A 26 8.890 -0.592 -6.814 1.00 0.00 N ATOM 0 H LYS A 26 7.580 3.283 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 26 6.740 1.976 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.136 2.363 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.866 1.186 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.903 -0.054 -3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.206 -0.460 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.928 0.941 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.406 1.826 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.613 0.374 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.051 -0.979 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.449 -1.242 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.049 -1.087 -6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.593 0.224 -7.386 1.00 0.00 H new ATOM 366 N GLU A 27 6.049 0.722 -0.463 1.00 0.00 N ATOM 367 CA GLU A 27 5.296 -0.319 0.226 1.00 0.00 C ATOM 368 C GLU A 27 3.896 -0.459 -0.363 1.00 0.00 C ATOM 369 O GLU A 27 3.380 -1.567 -0.509 1.00 0.00 O ATOM 370 CB GLU A 27 5.204 -0.007 1.722 1.00 0.00 C ATOM 371 CG GLU A 27 6.059 -0.917 2.587 1.00 0.00 C ATOM 372 CD GLU A 27 5.320 -2.162 3.035 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.088 -2.084 3.230 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.972 -3.215 3.190 1.00 0.00 O ATOM 0 H GLU A 27 6.377 1.476 0.140 1.00 0.00 H new ATOM 0 HA GLU A 27 5.823 -1.263 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.506 1.027 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.164 -0.090 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.950 -1.209 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.397 -0.365 3.464 1.00 0.00 H new ATOM 381 N ARG A 28 3.286 0.673 -0.698 1.00 0.00 N ATOM 382 CA ARG A 28 1.944 0.677 -1.269 1.00 0.00 C ATOM 383 C ARG A 28 1.885 -0.189 -2.525 1.00 0.00 C ATOM 384 O ARG A 28 1.032 -1.070 -2.645 1.00 0.00 O ATOM 385 CB ARG A 28 1.514 2.107 -1.603 1.00 0.00 C ATOM 386 CG ARG A 28 1.247 2.965 -0.377 1.00 0.00 C ATOM 387 CD ARG A 28 0.681 4.323 -0.759 1.00 0.00 C ATOM 388 NE ARG A 28 -0.334 4.218 -1.803 1.00 0.00 N ATOM 389 CZ ARG A 28 -0.055 4.187 -3.101 1.00 0.00 C ATOM 390 NH1 ARG A 28 1.204 4.252 -3.513 1.00 0.00 N ATOM 391 NH2 ARG A 28 -1.035 4.091 -3.991 1.00 0.00 N ATOM 0 H ARG A 28 3.699 1.599 -0.584 1.00 0.00 H new ATOM 0 HA ARG A 28 1.260 0.262 -0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.290 2.580 -2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.613 2.073 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.548 2.451 0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.173 3.100 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.247 4.796 0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.489 4.969 -1.102 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.312 4.165 -1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.960 4.326 -2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.416 4.228 -4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.005 4.041 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.818 4.067 -4.987 1.00 0.00 H new ATOM 405 N THR A 29 2.796 0.067 -3.458 1.00 0.00 N ATOM 406 CA THR A 29 2.847 -0.687 -4.704 1.00 0.00 C ATOM 407 C THR A 29 3.095 -2.168 -4.440 1.00 0.00 C ATOM 408 O THR A 29 2.675 -3.026 -5.218 1.00 0.00 O ATOM 409 CB THR A 29 3.946 -0.153 -5.640 1.00 0.00 C ATOM 410 OG1 THR A 29 3.513 1.063 -6.261 1.00 0.00 O ATOM 411 CG2 THR A 29 4.293 -1.179 -6.709 1.00 0.00 C ATOM 0 H THR A 29 3.509 0.791 -3.374 1.00 0.00 H new ATOM 0 HA THR A 29 1.878 -0.564 -5.188 1.00 0.00 H new ATOM 0 HB THR A 29 4.837 0.042 -5.043 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.219 1.397 -6.853 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.072 -0.779 -7.358 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.650 -2.093 -6.234 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.406 -1.401 -7.302 1.00 0.00 H new ATOM 419 N LEU A 30 3.778 -2.462 -3.340 1.00 0.00 N ATOM 420 CA LEU A 30 4.082 -3.841 -2.973 1.00 0.00 C ATOM 421 C LEU A 30 2.851 -4.534 -2.396 1.00 0.00 C ATOM 422 O LEU A 30 2.724 -5.757 -2.470 1.00 0.00 O ATOM 423 CB LEU A 30 5.226 -3.878 -1.958 1.00 0.00 C ATOM 424 CG LEU A 30 6.570 -3.334 -2.441 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.546 -3.212 -1.280 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.146 -4.224 -3.533 1.00 0.00 C ATOM 0 H LEU A 30 4.132 -1.764 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 30 4.387 -4.373 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.922 -3.311 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.368 -4.910 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 30 6.408 -2.340 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.497 -2.823 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.138 -2.532 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.703 -4.193 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.103 -3.821 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.292 -5.231 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.456 -4.259 -4.376 1.00 0.00 H new ATOM 438 N LEU A 31 1.949 -3.746 -1.824 1.00 0.00 N ATOM 439 CA LEU A 31 0.727 -4.284 -1.236 1.00 0.00 C ATOM 440 C LEU A 31 0.015 -5.213 -2.214 1.00 0.00 C ATOM 441 O LEU A 31 -0.510 -6.257 -1.826 1.00 0.00 O ATOM 442 CB LEU A 31 -0.209 -3.146 -0.825 1.00 0.00 C ATOM 443 CG LEU A 31 0.273 -2.264 0.328 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.644 -1.063 0.501 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.350 -3.069 1.617 1.00 0.00 C ATOM 0 H LEU A 31 2.040 -2.732 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 31 1.002 -4.858 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.380 -2.511 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.172 -3.576 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 31 1.272 -1.900 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.285 -0.447 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.649 -0.474 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.656 -1.406 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.695 -2.426 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.637 -3.462 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.048 -3.896 1.488 1.00 0.00 H new ATOM 457 N LYS A 32 0.003 -4.829 -3.486 1.00 0.00 N ATOM 458 CA LYS A 32 -0.639 -5.629 -4.522 1.00 0.00 C ATOM 459 C LYS A 32 0.085 -6.958 -4.711 1.00 0.00 C ATOM 460 O LYS A 32 -0.543 -7.986 -4.962 1.00 0.00 O ATOM 461 CB LYS A 32 -0.669 -4.860 -5.844 1.00 0.00 C ATOM 462 CG LYS A 32 -0.931 -3.372 -5.677 1.00 0.00 C ATOM 463 CD LYS A 32 -2.043 -2.896 -6.597 1.00 0.00 C ATOM 464 CE LYS A 32 -1.516 -2.568 -7.985 1.00 0.00 C ATOM 465 NZ LYS A 32 -2.108 -1.310 -8.521 1.00 0.00 N ATOM 0 H LYS A 32 0.431 -3.967 -3.824 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.661 -5.835 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.283 -4.997 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.440 -5.286 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.199 -3.163 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.018 -2.815 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.810 -3.667 -6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.518 -2.013 -6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.431 -2.472 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.740 -3.392 -8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.723 -1.122 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.141 -1.411 -8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.873 -0.519 -7.888 1.00 0.00 H new ATOM 479 N GLU A 33 1.408 -6.929 -4.587 1.00 0.00 N ATOM 480 CA GLU A 33 2.216 -8.132 -4.744 1.00 0.00 C ATOM 481 C GLU A 33 1.937 -9.125 -3.619 1.00 0.00 C ATOM 482 O GLU A 33 2.417 -10.258 -3.643 1.00 0.00 O ATOM 483 CB GLU A 33 3.703 -7.776 -4.768 1.00 0.00 C ATOM 484 CG GLU A 33 4.061 -6.725 -5.806 1.00 0.00 C ATOM 485 CD GLU A 33 5.547 -6.681 -6.103 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.341 -6.592 -5.143 1.00 0.00 O ATOM 487 OE2 GLU A 33 5.916 -6.736 -7.295 1.00 0.00 O ATOM 0 H GLU A 33 1.943 -6.086 -4.378 1.00 0.00 H new ATOM 0 HA GLU A 33 1.947 -8.598 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.998 -7.416 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.281 -8.679 -4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.516 -6.930 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.736 -5.746 -5.454 1.00 0.00 H new ATOM 494 N ASP A 34 1.159 -8.690 -2.633 1.00 0.00 N ATOM 495 CA ASP A 34 0.816 -9.540 -1.499 1.00 0.00 C ATOM 496 C ASP A 34 -0.585 -10.122 -1.660 1.00 0.00 C ATOM 497 O ASP A 34 -1.487 -9.489 -2.210 1.00 0.00 O ATOM 498 CB ASP A 34 0.905 -8.744 -0.195 1.00 0.00 C ATOM 499 CG ASP A 34 1.624 -9.508 0.900 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.812 -9.838 0.710 1.00 0.00 O ATOM 501 OD2 ASP A 34 0.997 -9.774 1.947 1.00 0.00 O ATOM 0 H ASP A 34 0.754 -7.754 -2.597 1.00 0.00 H new ATOM 0 HA ASP A 34 1.529 -10.364 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.425 -7.804 -0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.100 -8.490 0.142 1.00 0.00 H new ATOM 506 N PRO A 35 -0.773 -11.356 -1.171 1.00 0.00 N ATOM 507 CA PRO A 35 -2.061 -12.052 -1.249 1.00 0.00 C ATOM 508 C PRO A 35 -3.114 -11.426 -0.342 1.00 0.00 C ATOM 509 O PRO A 35 -4.306 -11.457 -0.645 1.00 0.00 O ATOM 510 CB PRO A 35 -1.726 -13.471 -0.782 1.00 0.00 C ATOM 511 CG PRO A 35 -0.524 -13.312 0.083 1.00 0.00 C ATOM 512 CD PRO A 35 0.258 -12.169 -0.503 1.00 0.00 C ATOM 0 HA PRO A 35 -2.488 -12.008 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.556 -13.912 -0.229 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.521 -14.128 -1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.810 -13.102 1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.071 -14.225 0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.779 -11.602 0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.013 -12.518 -1.207 1.00 0.00 H new ATOM 520 N ALA A 36 -2.665 -10.859 0.774 1.00 0.00 N ATOM 521 CA ALA A 36 -3.568 -10.223 1.724 1.00 0.00 C ATOM 522 C ALA A 36 -4.348 -9.089 1.067 1.00 0.00 C ATOM 523 O ALA A 36 -5.465 -8.772 1.477 1.00 0.00 O ATOM 524 CB ALA A 36 -2.792 -9.705 2.926 1.00 0.00 C ATOM 0 H ALA A 36 -1.681 -10.828 1.041 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.284 -10.972 2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.480 -9.232 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.286 -10.536 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.053 -8.975 2.595 1.00 0.00 H new ATOM 530 N TYR A 37 -3.751 -8.480 0.048 1.00 0.00 N ATOM 531 CA TYR A 37 -4.389 -7.379 -0.664 1.00 0.00 C ATOM 532 C TYR A 37 -4.694 -7.767 -2.107 1.00 0.00 C ATOM 533 O TYR A 37 -4.348 -7.045 -3.042 1.00 0.00 O ATOM 534 CB TYR A 37 -3.493 -6.140 -0.635 1.00 0.00 C ATOM 535 CG TYR A 37 -2.935 -5.826 0.734 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.689 -5.128 1.669 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.655 -6.227 1.094 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.185 -4.838 2.922 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.142 -5.943 2.345 1.00 0.00 C ATOM 540 CZ TYR A 37 -1.911 -5.249 3.256 1.00 0.00 C ATOM 541 OH TYR A 37 -1.404 -4.963 4.502 1.00 0.00 O ATOM 0 H TYR A 37 -2.827 -8.730 -0.303 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.330 -7.151 -0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.666 -6.284 -1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.063 -5.282 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.687 -4.806 1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.050 -6.770 0.383 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.785 -4.293 3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.144 -6.263 2.608 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.496 -5.323 4.576 1.00 0.00 H new ATOM 551 N TRP A 38 -5.346 -8.912 -2.280 1.00 0.00 N ATOM 552 CA TRP A 38 -5.699 -9.397 -3.609 1.00 0.00 C ATOM 553 C TRP A 38 -6.842 -8.580 -4.200 1.00 0.00 C ATOM 554 O TRP A 38 -6.891 -8.344 -5.408 1.00 0.00 O ATOM 555 CB TRP A 38 -6.090 -10.875 -3.548 1.00 0.00 C ATOM 556 CG TRP A 38 -7.295 -11.136 -2.696 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.310 -11.671 -1.439 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.660 -10.873 -3.038 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.603 -11.759 -0.981 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.449 -11.274 -1.942 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.292 -10.337 -4.163 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.836 -11.157 -1.942 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.669 -10.221 -4.161 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.429 -10.629 -3.057 1.00 0.00 C ATOM 0 H TRP A 38 -5.641 -9.521 -1.517 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.827 -9.286 -4.253 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.284 -11.234 -4.559 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.249 -11.450 -3.161 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.435 -11.979 -0.887 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.886 -12.126 -0.072 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.715 -10.019 -5.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.424 -11.472 -1.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.168 -9.809 -5.026 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.504 -10.525 -3.086 1.00 0.00 H new ATOM 575 N PHE A 39 -7.762 -8.150 -3.343 1.00 0.00 N ATOM 576 CA PHE A 39 -8.906 -7.359 -3.781 1.00 0.00 C ATOM 577 C PHE A 39 -8.450 -6.119 -4.543 1.00 0.00 C ATOM 578 O PHE A 39 -9.151 -5.628 -5.429 1.00 0.00 O ATOM 579 CB PHE A 39 -9.760 -6.949 -2.580 1.00 0.00 C ATOM 580 CG PHE A 39 -8.992 -6.205 -1.525 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.716 -4.856 -1.671 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.546 -6.856 -0.386 1.00 0.00 C ATOM 583 CE1 PHE A 39 -8.008 -4.169 -0.703 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.839 -6.175 0.587 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.571 -4.829 0.428 1.00 0.00 C ATOM 0 H PHE A 39 -7.738 -8.336 -2.340 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.506 -7.975 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.584 -6.325 -2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.201 -7.842 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.058 -4.334 -2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.753 -7.908 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.797 -3.118 -0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.497 -6.694 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.020 -4.294 1.188 1.00 0.00 H new ATOM 595 N LEU A 40 -7.272 -5.616 -4.191 1.00 0.00 N ATOM 596 CA LEU A 40 -6.720 -4.432 -4.842 1.00 0.00 C ATOM 597 C LEU A 40 -7.013 -4.446 -6.338 1.00 0.00 C ATOM 598 O LEU A 40 -7.554 -3.485 -6.885 1.00 0.00 O ATOM 599 CB LEU A 40 -5.211 -4.353 -4.606 1.00 0.00 C ATOM 600 CG LEU A 40 -4.771 -3.785 -3.256 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.255 -3.747 -3.160 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.355 -2.395 -3.046 1.00 0.00 C ATOM 0 H LEU A 40 -6.681 -6.009 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.196 -3.553 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.795 -5.355 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.772 -3.743 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.148 -4.439 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.962 -3.340 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.858 -4.757 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.856 -3.117 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.031 -2.006 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.009 -1.731 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.443 -2.450 -3.069 1.00 0.00 H new ATOM 614 N SER A 41 -6.652 -5.544 -6.996 1.00 0.00 N ATOM 615 CA SER A 41 -6.874 -5.683 -8.430 1.00 0.00 C ATOM 616 C SER A 41 -8.364 -5.761 -8.744 1.00 0.00 C ATOM 617 O SER A 41 -8.833 -5.188 -9.728 1.00 0.00 O ATOM 618 CB SER A 41 -6.165 -6.932 -8.959 1.00 0.00 C ATOM 619 OG SER A 41 -4.986 -6.587 -9.666 1.00 0.00 O ATOM 0 H SER A 41 -6.205 -6.350 -6.558 1.00 0.00 H new ATOM 0 HA SER A 41 -6.461 -4.803 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.915 -7.592 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.837 -7.486 -9.614 1.00 0.00 H new ATOM 0 HG SER A 41 -4.550 -7.402 -9.992 1.00 0.00 H new ATOM 625 N ASP A 42 -9.104 -6.474 -7.902 1.00 0.00 N ATOM 626 CA ASP A 42 -10.543 -6.626 -8.087 1.00 0.00 C ATOM 627 C ASP A 42 -11.273 -5.326 -7.766 1.00 0.00 C ATOM 628 O ASP A 42 -10.786 -4.507 -6.988 1.00 0.00 O ATOM 629 CB ASP A 42 -11.075 -7.756 -7.204 1.00 0.00 C ATOM 630 CG ASP A 42 -12.426 -8.264 -7.668 1.00 0.00 C ATOM 631 OD1 ASP A 42 -12.464 -9.058 -8.631 1.00 0.00 O ATOM 632 OD2 ASP A 42 -13.446 -7.869 -7.065 1.00 0.00 O ATOM 0 H ASP A 42 -8.731 -6.956 -7.084 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.726 -6.875 -9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.361 -8.580 -7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.156 -7.403 -6.176 1.00 0.00 H new ATOM 637 N GLU A 43 -12.442 -5.145 -8.372 1.00 0.00 N ATOM 638 CA GLU A 43 -13.237 -3.943 -8.152 1.00 0.00 C ATOM 639 C GLU A 43 -14.659 -4.302 -7.727 1.00 0.00 C ATOM 640 O GLU A 43 -15.287 -3.580 -6.954 1.00 0.00 O ATOM 641 CB GLU A 43 -13.272 -3.087 -9.421 1.00 0.00 C ATOM 642 CG GLU A 43 -12.049 -2.203 -9.591 1.00 0.00 C ATOM 643 CD GLU A 43 -12.361 -0.911 -10.323 1.00 0.00 C ATOM 644 OE1 GLU A 43 -12.567 -0.962 -11.553 1.00 0.00 O ATOM 645 OE2 GLU A 43 -12.398 0.149 -9.665 1.00 0.00 O ATOM 0 H GLU A 43 -12.859 -5.815 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.770 -3.371 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.361 -3.741 -10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.163 -2.460 -9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.635 -1.970 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.282 -2.751 -10.139 1.00 0.00 H new ATOM 652 N ASN A 44 -15.159 -5.420 -8.241 1.00 0.00 N ATOM 653 CA ASN A 44 -16.506 -5.876 -7.917 1.00 0.00 C ATOM 654 C ASN A 44 -16.502 -6.730 -6.654 1.00 0.00 C ATOM 655 O ASN A 44 -17.108 -7.801 -6.615 1.00 0.00 O ATOM 656 CB ASN A 44 -17.092 -6.673 -9.084 1.00 0.00 C ATOM 657 CG ASN A 44 -18.506 -6.244 -9.424 1.00 0.00 C ATOM 658 OD1 ASN A 44 -18.785 -5.056 -9.588 1.00 0.00 O ATOM 659 ND2 ASN A 44 -19.409 -7.212 -9.532 1.00 0.00 N ATOM 0 H ASN A 44 -14.652 -6.028 -8.884 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.127 -4.998 -7.738 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.457 -6.549 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.087 -7.734 -8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.377 -6.984 -9.759 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -19.135 -8.184 -9.388 1.00 0.00 H new ATOM 666 N SER A 45 -15.817 -6.249 -5.621 1.00 0.00 N ATOM 667 CA SER A 45 -15.731 -6.970 -4.357 1.00 0.00 C ATOM 668 C SER A 45 -16.023 -6.042 -3.182 1.00 0.00 C ATOM 669 O SER A 45 -16.341 -4.867 -3.367 1.00 0.00 O ATOM 670 CB SER A 45 -14.345 -7.597 -4.196 1.00 0.00 C ATOM 671 OG SER A 45 -13.329 -6.609 -4.256 1.00 0.00 O ATOM 0 H SER A 45 -15.313 -5.362 -5.635 1.00 0.00 H new ATOM 0 HA SER A 45 -16.480 -7.762 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.289 -8.124 -3.243 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.184 -8.337 -4.980 1.00 0.00 H new ATOM 0 HG SER A 45 -12.931 -6.603 -5.152 1.00 0.00 H new ATOM 677 N LEU A 46 -15.913 -6.580 -1.971 1.00 0.00 N ATOM 678 CA LEU A 46 -16.165 -5.801 -0.764 1.00 0.00 C ATOM 679 C LEU A 46 -14.862 -5.262 -0.182 1.00 0.00 C ATOM 680 O LEU A 46 -14.785 -4.103 0.223 1.00 0.00 O ATOM 681 CB LEU A 46 -16.885 -6.658 0.278 1.00 0.00 C ATOM 682 CG LEU A 46 -16.592 -6.324 1.741 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.252 -6.906 2.163 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.615 -4.818 1.960 1.00 0.00 C ATOM 0 H LEU A 46 -15.651 -7.551 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.799 -4.956 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.959 -6.568 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.622 -7.702 0.105 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.370 -6.772 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.060 -6.658 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.272 -7.989 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.461 -6.488 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.404 -4.599 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.859 -4.347 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.598 -4.427 1.698 1.00 0.00 H new ATOM 696 N GLU A 47 -13.840 -6.111 -0.146 1.00 0.00 N ATOM 697 CA GLU A 47 -12.539 -5.719 0.385 1.00 0.00 C ATOM 698 C GLU A 47 -11.972 -4.531 -0.387 1.00 0.00 C ATOM 699 O GLU A 47 -11.258 -3.698 0.171 1.00 0.00 O ATOM 700 CB GLU A 47 -11.563 -6.895 0.323 1.00 0.00 C ATOM 701 CG GLU A 47 -12.022 -8.111 1.110 1.00 0.00 C ATOM 702 CD GLU A 47 -12.922 -9.024 0.300 1.00 0.00 C ATOM 703 OE1 GLU A 47 -12.773 -9.056 -0.939 1.00 0.00 O ATOM 704 OE2 GLU A 47 -13.773 -9.708 0.907 1.00 0.00 O ATOM 0 H GLU A 47 -13.887 -7.074 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.674 -5.423 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.418 -7.181 -0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.594 -6.572 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.150 -8.672 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.553 -7.782 2.003 1.00 0.00 H new ATOM 711 N TYR A 48 -12.296 -4.460 -1.674 1.00 0.00 N ATOM 712 CA TYR A 48 -11.817 -3.378 -2.524 1.00 0.00 C ATOM 713 C TYR A 48 -12.680 -2.130 -2.355 1.00 0.00 C ATOM 714 O TYR A 48 -12.234 -1.012 -2.614 1.00 0.00 O ATOM 715 CB TYR A 48 -11.815 -3.815 -3.989 1.00 0.00 C ATOM 716 CG TYR A 48 -11.404 -2.720 -4.947 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.330 -1.798 -5.419 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.088 -2.607 -5.382 1.00 0.00 C ATOM 719 CE1 TYR A 48 -11.959 -0.796 -6.294 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.708 -1.608 -6.257 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.647 -0.704 -6.710 1.00 0.00 C ATOM 722 OH TYR A 48 -10.272 0.292 -7.582 1.00 0.00 O ATOM 0 H TYR A 48 -12.889 -5.140 -2.151 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.798 -3.137 -2.222 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.138 -4.661 -4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.812 -4.165 -4.256 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.358 -1.866 -5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.350 -3.313 -5.030 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.692 -0.088 -6.651 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.682 -1.535 -6.585 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.912 0.337 -8.323 1.00 0.00 H new ATOM 732 N LYS A 49 -13.919 -2.331 -1.919 1.00 0.00 N ATOM 733 CA LYS A 49 -14.846 -1.225 -1.712 1.00 0.00 C ATOM 734 C LYS A 49 -14.369 -0.319 -0.580 1.00 0.00 C ATOM 735 O LYS A 49 -14.653 0.879 -0.570 1.00 0.00 O ATOM 736 CB LYS A 49 -16.246 -1.758 -1.397 1.00 0.00 C ATOM 737 CG LYS A 49 -17.242 -1.554 -2.526 1.00 0.00 C ATOM 738 CD LYS A 49 -18.212 -2.719 -2.630 1.00 0.00 C ATOM 739 CE LYS A 49 -18.416 -3.146 -4.075 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.503 -2.370 -4.734 1.00 0.00 N ATOM 0 H LYS A 49 -14.304 -3.250 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.885 -0.640 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.178 -2.822 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.620 -1.265 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.797 -0.631 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.707 -1.440 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.834 -3.561 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.170 -2.436 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.487 -3.011 -4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.656 -4.209 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.611 -2.691 -5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.396 -2.519 -4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.262 -1.358 -4.724 1.00 0.00 H new ATOM 754 N TYR A 50 -13.642 -0.898 0.368 1.00 0.00 N ATOM 755 CA TYR A 50 -13.127 -0.143 1.505 1.00 0.00 C ATOM 756 C TYR A 50 -11.873 0.635 1.117 1.00 0.00 C ATOM 757 O TYR A 50 -11.832 1.860 1.222 1.00 0.00 O ATOM 758 CB TYR A 50 -12.818 -1.083 2.670 1.00 0.00 C ATOM 759 CG TYR A 50 -14.046 -1.527 3.433 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.206 -1.900 2.764 1.00 0.00 C ATOM 761 CD2 TYR A 50 -14.048 -1.573 4.821 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.331 -2.305 3.455 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.167 -1.979 5.521 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.306 -2.343 4.834 1.00 0.00 C ATOM 765 OH TYR A 50 -17.425 -2.746 5.528 1.00 0.00 O ATOM 0 H TYR A 50 -13.396 -1.888 0.372 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.893 0.568 1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.300 -1.963 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.135 -0.584 3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.228 -1.873 1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.159 -1.286 5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.225 -2.590 2.919 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.150 -2.011 6.600 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.241 -2.717 6.490 1.00 0.00 H new ATOM 775 N TYR A 51 -10.852 -0.088 0.669 1.00 0.00 N ATOM 776 CA TYR A 51 -9.595 0.533 0.267 1.00 0.00 C ATOM 777 C TYR A 51 -9.847 1.801 -0.541 1.00 0.00 C ATOM 778 O TYR A 51 -9.088 2.766 -0.459 1.00 0.00 O ATOM 779 CB TYR A 51 -8.756 -0.450 -0.551 1.00 0.00 C ATOM 780 CG TYR A 51 -7.496 0.161 -1.124 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.422 0.481 -0.302 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.380 0.418 -2.483 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.269 1.039 -0.820 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.231 0.974 -3.011 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.178 1.284 -2.175 1.00 0.00 C ATOM 786 OH TYR A 51 -4.032 1.839 -2.695 1.00 0.00 O ATOM 0 H TYR A 51 -10.870 -1.104 0.575 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.048 0.804 1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.485 -1.296 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.363 -0.842 -1.367 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.490 0.290 0.759 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.203 0.179 -3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.443 1.282 -0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.157 1.165 -4.071 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.131 1.945 -3.664 1.00 0.00 H new ATOM 796 N LYS A 52 -10.922 1.793 -1.323 1.00 0.00 N ATOM 797 CA LYS A 52 -11.279 2.941 -2.147 1.00 0.00 C ATOM 798 C LYS A 52 -12.188 3.898 -1.383 1.00 0.00 C ATOM 799 O LYS A 52 -12.084 5.117 -1.525 1.00 0.00 O ATOM 800 CB LYS A 52 -11.971 2.479 -3.431 1.00 0.00 C ATOM 801 CG LYS A 52 -11.026 1.845 -4.438 1.00 0.00 C ATOM 802 CD LYS A 52 -10.112 2.881 -5.071 1.00 0.00 C ATOM 803 CE LYS A 52 -10.854 3.727 -6.095 1.00 0.00 C ATOM 804 NZ LYS A 52 -10.293 5.103 -6.188 1.00 0.00 N ATOM 0 H LYS A 52 -11.562 1.002 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.361 3.469 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.751 1.761 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.464 3.333 -3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.425 1.081 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.603 1.344 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.699 3.526 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.271 2.381 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.800 3.246 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.909 3.782 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.825 5.648 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.368 5.572 -5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.293 5.052 -6.470 1.00 0.00 H new ATOM 818 N LEU A 53 -13.078 3.338 -0.571 1.00 0.00 N ATOM 819 CA LEU A 53 -14.005 4.142 0.219 1.00 0.00 C ATOM 820 C LEU A 53 -13.300 4.768 1.418 1.00 0.00 C ATOM 821 O LEU A 53 -13.070 5.977 1.455 1.00 0.00 O ATOM 822 CB LEU A 53 -15.178 3.282 0.695 1.00 0.00 C ATOM 823 CG LEU A 53 -16.060 3.894 1.785 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.590 3.450 3.162 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.058 5.413 1.682 1.00 0.00 C ATOM 0 H LEU A 53 -13.178 2.331 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.383 4.944 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.806 3.051 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.783 2.336 1.064 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.081 3.542 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.229 3.895 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.644 2.364 3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.561 3.773 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.690 5.832 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.040 5.784 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.442 5.712 0.707 1.00 0.00 H new ATOM 837 N LYS A 54 -12.954 3.937 2.395 1.00 0.00 N ATOM 838 CA LYS A 54 -12.270 4.407 3.594 1.00 0.00 C ATOM 839 C LYS A 54 -11.181 5.414 3.240 1.00 0.00 C ATOM 840 O LYS A 54 -10.882 6.320 4.019 1.00 0.00 O ATOM 841 CB LYS A 54 -11.661 3.227 4.354 1.00 0.00 C ATOM 842 CG LYS A 54 -11.693 3.393 5.863 1.00 0.00 C ATOM 843 CD LYS A 54 -13.030 2.964 6.444 1.00 0.00 C ATOM 844 CE LYS A 54 -13.131 3.306 7.922 1.00 0.00 C ATOM 845 NZ LYS A 54 -14.449 2.912 8.493 1.00 0.00 N ATOM 0 H LYS A 54 -13.136 2.934 2.380 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.004 4.901 4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.198 2.317 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.628 3.094 4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.894 2.803 6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.502 4.435 6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.838 3.453 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.159 1.890 6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.333 2.801 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.982 4.377 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.479 3.162 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.209 3.413 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.581 1.886 8.386 1.00 0.00 H new ATOM 859 N LEU A 55 -10.592 5.250 2.060 1.00 0.00 N ATOM 860 CA LEU A 55 -9.537 6.146 1.602 1.00 0.00 C ATOM 861 C LEU A 55 -10.110 7.500 1.194 1.00 0.00 C ATOM 862 O LEU A 55 -9.564 8.547 1.544 1.00 0.00 O ATOM 863 CB LEU A 55 -8.786 5.522 0.423 1.00 0.00 C ATOM 864 CG LEU A 55 -7.582 6.307 -0.097 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.493 6.379 0.963 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.045 5.677 -1.374 1.00 0.00 C ATOM 0 H LEU A 55 -10.827 4.505 1.404 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.842 6.300 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.447 4.529 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.489 5.387 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.906 7.322 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.644 6.942 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.882 6.876 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.172 5.371 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.188 6.249 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.738 4.651 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.824 5.679 -2.136 1.00 0.00 H new ATOM 878 N ALA A 56 -11.214 7.472 0.455 1.00 0.00 N ATOM 879 CA ALA A 56 -11.863 8.696 0.004 1.00 0.00 C ATOM 880 C ALA A 56 -12.403 9.497 1.184 1.00 0.00 C ATOM 881 O ALA A 56 -12.241 10.715 1.244 1.00 0.00 O ATOM 882 CB ALA A 56 -12.984 8.370 -0.972 1.00 0.00 C ATOM 0 H ALA A 56 -11.678 6.614 0.156 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.118 9.307 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.460 9.294 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.574 7.846 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.722 7.737 -0.480 1.00 0.00 H new ATOM 888 N GLU A 57 -13.045 8.805 2.120 1.00 0.00 N ATOM 889 CA GLU A 57 -13.610 9.454 3.297 1.00 0.00 C ATOM 890 C GLU A 57 -12.508 9.897 4.255 1.00 0.00 C ATOM 891 O GLU A 57 -12.668 10.867 4.995 1.00 0.00 O ATOM 892 CB GLU A 57 -14.576 8.508 4.014 1.00 0.00 C ATOM 893 CG GLU A 57 -13.948 7.181 4.407 1.00 0.00 C ATOM 894 CD GLU A 57 -14.759 6.438 5.451 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.732 5.754 5.072 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.419 6.543 6.648 1.00 0.00 O ATOM 0 H GLU A 57 -13.187 7.795 2.086 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.157 10.337 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.956 9.000 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.432 8.318 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.844 6.556 3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.944 7.358 4.791 1.00 0.00 H new ATOM 903 N MET A 58 -11.391 9.178 4.236 1.00 0.00 N ATOM 904 CA MET A 58 -10.261 9.497 5.102 1.00 0.00 C ATOM 905 C MET A 58 -9.409 10.607 4.497 1.00 0.00 C ATOM 906 O MET A 58 -8.766 11.369 5.218 1.00 0.00 O ATOM 907 CB MET A 58 -9.405 8.251 5.339 1.00 0.00 C ATOM 908 CG MET A 58 -10.030 7.260 6.307 1.00 0.00 C ATOM 909 SD MET A 58 -9.710 7.676 8.032 1.00 0.00 S ATOM 910 CE MET A 58 -7.976 7.249 8.167 1.00 0.00 C ATOM 0 H MET A 58 -11.243 8.370 3.631 1.00 0.00 H new ATOM 0 HA MET A 58 -10.654 9.845 6.057 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.230 7.754 4.385 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.432 8.556 5.723 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.107 7.225 6.140 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.642 6.262 6.100 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.827 6.601 9.031 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.658 6.728 7.264 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.386 8.157 8.288 1.00 0.00 H new ATOM 920 N GLN A 59 -9.410 10.692 3.171 1.00 0.00 N ATOM 921 CA GLN A 59 -8.634 11.709 2.470 1.00 0.00 C ATOM 922 C GLN A 59 -9.279 13.084 2.621 1.00 0.00 C ATOM 923 O GLN A 59 -8.588 14.085 2.809 1.00 0.00 O ATOM 924 CB GLN A 59 -8.507 11.353 0.988 1.00 0.00 C ATOM 925 CG GLN A 59 -7.310 10.468 0.676 1.00 0.00 C ATOM 926 CD GLN A 59 -6.652 10.821 -0.644 1.00 0.00 C ATOM 927 OE1 GLN A 59 -5.893 11.786 -0.734 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.940 10.037 -1.677 1.00 0.00 N ATOM 0 H GLN A 59 -9.939 10.069 2.560 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.639 11.742 2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.417 10.847 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.430 12.272 0.407 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.578 10.558 1.478 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.630 9.426 0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.575 9.248 -1.557 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.526 10.224 -2.590 1.00 0.00 H new