USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 49 GLN : amide:sc= -0.0542 X(o=-0.054,f=-0.054) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 36:sc= 0.142 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 19 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.62) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 84:sc= 0.00239 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00537 USER MOD Single : A 34 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 37 GLN : amide:sc=-0.00426 X(o=-0.0043,f=-0.24) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.059) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.731 -6.457 -4.475 1.00 0.00 N ATOM 2 CA GLY A 1 22.671 -6.536 -3.443 1.00 0.00 C ATOM 3 C GLY A 1 23.110 -5.832 -2.194 1.00 0.00 C ATOM 4 O GLY A 1 23.634 -6.500 -1.303 1.00 0.00 O ATOM 0 H1 GLY A 1 23.415 -6.948 -5.335 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.925 -5.460 -4.697 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.598 -6.907 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.753 -6.085 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.446 -7.579 -3.221 1.00 0.00 H new ATOM 10 N PRO A 2 22.935 -4.513 -2.050 1.00 0.00 N ATOM 11 CA PRO A 2 23.373 -3.773 -0.875 1.00 0.00 C ATOM 12 C PRO A 2 22.426 -3.979 0.285 1.00 0.00 C ATOM 13 O PRO A 2 22.757 -3.545 1.388 1.00 0.00 O ATOM 14 CB PRO A 2 23.349 -2.303 -1.326 1.00 0.00 C ATOM 15 CG PRO A 2 22.300 -2.262 -2.441 1.00 0.00 C ATOM 16 CD PRO A 2 22.478 -3.621 -3.117 1.00 0.00 C ATOM 0 HA PRO A 2 24.354 -4.097 -0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 2 23.081 -1.640 -0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 2 24.326 -1.983 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 2 21.292 -2.135 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.476 -1.439 -3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 2 21.542 -3.972 -3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 2 23.206 -3.568 -3.927 1.00 0.00 H new ATOM 24 N MET A 3 21.256 -4.621 0.057 1.00 0.00 N ATOM 25 CA MET A 3 20.298 -4.945 1.081 1.00 0.00 C ATOM 26 C MET A 3 20.446 -6.420 1.344 1.00 0.00 C ATOM 27 O MET A 3 21.455 -7.028 0.985 1.00 0.00 O ATOM 28 CB MET A 3 18.843 -4.653 0.637 1.00 0.00 C ATOM 29 CG MET A 3 18.599 -3.187 0.237 1.00 0.00 C ATOM 30 SD MET A 3 16.871 -2.864 -0.246 1.00 0.00 S ATOM 31 CE MET A 3 17.116 -1.103 -0.616 1.00 0.00 C ATOM 0 H MET A 3 20.968 -4.925 -0.873 1.00 0.00 H new ATOM 0 HA MET A 3 20.486 -4.337 1.966 1.00 0.00 H new ATOM 0 HB2 MET A 3 18.594 -5.297 -0.207 1.00 0.00 H new ATOM 0 HB3 MET A 3 18.165 -4.916 1.449 1.00 0.00 H new ATOM 0 HG2 MET A 3 18.865 -2.538 1.072 1.00 0.00 H new ATOM 0 HG3 MET A 3 19.258 -2.927 -0.592 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.173 -0.665 -0.943 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.464 -0.588 0.279 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.859 -0.997 -1.407 1.00 0.00 H new ATOM 41 N ALA A 4 19.415 -7.035 1.972 1.00 0.00 N ATOM 42 CA ALA A 4 19.292 -8.464 2.115 1.00 0.00 C ATOM 43 C ALA A 4 18.693 -8.951 0.831 1.00 0.00 C ATOM 44 O ALA A 4 19.364 -9.579 0.014 1.00 0.00 O ATOM 45 CB ALA A 4 18.398 -8.868 3.306 1.00 0.00 C ATOM 0 H ALA A 4 18.642 -6.521 2.394 1.00 0.00 H new ATOM 0 HA ALA A 4 20.268 -8.906 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 4 18.341 -9.955 3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 4 18.823 -8.476 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.397 -8.459 3.165 1.00 0.00 H new ATOM 51 N SER A 5 17.409 -8.598 0.626 1.00 0.00 N ATOM 52 CA SER A 5 16.722 -8.724 -0.633 1.00 0.00 C ATOM 53 C SER A 5 16.676 -7.333 -1.205 1.00 0.00 C ATOM 54 O SER A 5 16.080 -6.432 -0.616 1.00 0.00 O ATOM 55 CB SER A 5 15.294 -9.325 -0.519 1.00 0.00 C ATOM 56 OG SER A 5 14.506 -8.692 0.484 1.00 0.00 O ATOM 0 H SER A 5 16.823 -8.209 1.364 1.00 0.00 H new ATOM 0 HA SER A 5 17.254 -9.428 -1.272 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.789 -9.235 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.370 -10.389 -0.297 1.00 0.00 H new ATOM 0 HG SER A 5 14.715 -7.735 0.509 1.00 0.00 H new ATOM 62 N ASP A 6 17.339 -7.137 -2.368 1.00 0.00 N ATOM 63 CA ASP A 6 17.362 -5.879 -3.069 1.00 0.00 C ATOM 64 C ASP A 6 16.573 -6.096 -4.325 1.00 0.00 C ATOM 65 O ASP A 6 16.558 -7.189 -4.892 1.00 0.00 O ATOM 66 CB ASP A 6 18.801 -5.414 -3.427 1.00 0.00 C ATOM 67 CG ASP A 6 18.833 -4.003 -4.027 1.00 0.00 C ATOM 68 OD1 ASP A 6 18.438 -3.042 -3.314 1.00 0.00 O ATOM 69 OD2 ASP A 6 19.254 -3.871 -5.207 1.00 0.00 O ATOM 0 H ASP A 6 17.873 -7.871 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 6 16.944 -5.096 -2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 6 19.420 -5.437 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.240 -6.116 -4.136 1.00 0.00 H new ATOM 74 N LYS A 7 15.890 -5.023 -4.767 1.00 0.00 N ATOM 75 CA LYS A 7 15.127 -4.992 -5.983 1.00 0.00 C ATOM 76 C LYS A 7 15.521 -3.720 -6.668 1.00 0.00 C ATOM 77 O LYS A 7 15.903 -2.745 -6.020 1.00 0.00 O ATOM 78 CB LYS A 7 13.592 -4.939 -5.764 1.00 0.00 C ATOM 79 CG LYS A 7 13.000 -6.201 -5.110 1.00 0.00 C ATOM 80 CD LYS A 7 12.341 -5.967 -3.737 1.00 0.00 C ATOM 81 CE LYS A 7 13.326 -5.611 -2.613 1.00 0.00 C ATOM 82 NZ LYS A 7 12.635 -5.496 -1.308 1.00 0.00 N ATOM 0 H LYS A 7 15.867 -4.140 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 7 15.333 -5.904 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.355 -4.076 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.105 -4.780 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.259 -6.630 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.793 -6.940 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.610 -5.164 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.793 -6.865 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.101 -6.375 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.824 -4.670 -2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.326 -5.255 -0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.912 -4.750 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.181 -6.402 -1.075 1.00 0.00 H new ATOM 96 N ARG A 8 15.405 -3.709 -8.015 1.00 0.00 N ATOM 97 CA ARG A 8 15.474 -2.506 -8.806 1.00 0.00 C ATOM 98 C ARG A 8 14.035 -2.108 -9.020 1.00 0.00 C ATOM 99 O ARG A 8 13.197 -3.008 -9.071 1.00 0.00 O ATOM 100 CB ARG A 8 16.108 -2.719 -10.200 1.00 0.00 C ATOM 101 CG ARG A 8 17.582 -3.152 -10.151 1.00 0.00 C ATOM 102 CD ARG A 8 18.247 -3.180 -11.537 1.00 0.00 C ATOM 103 NE ARG A 8 17.513 -4.151 -12.416 1.00 0.00 N ATOM 104 CZ ARG A 8 17.601 -4.131 -13.782 1.00 0.00 C ATOM 105 NH1 ARG A 8 18.406 -3.235 -14.423 1.00 0.00 N ATOM 106 NH2 ARG A 8 16.863 -5.018 -14.514 1.00 0.00 N ATOM 0 H ARG A 8 15.260 -4.554 -8.568 1.00 0.00 H new ATOM 0 HA ARG A 8 16.090 -1.769 -8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.535 -3.474 -10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 8 16.030 -1.793 -10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.134 -2.471 -9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 8 17.649 -4.143 -9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.231 -2.185 -11.981 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.293 -3.472 -11.446 1.00 0.00 H new ATOM 0 HE ARG A 8 16.923 -4.857 -11.976 1.00 0.00 H new ATOM 0 HH11 ARG A 8 18.955 -2.565 -13.884 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.459 -3.235 -15.442 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.254 -5.686 -14.042 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.921 -5.012 -15.532 1.00 0.00 H new ATOM 120 N PRO A 9 13.671 -0.834 -9.145 1.00 0.00 N ATOM 121 CA PRO A 9 12.304 -0.422 -9.415 1.00 0.00 C ATOM 122 C PRO A 9 11.969 -0.657 -10.873 1.00 0.00 C ATOM 123 O PRO A 9 12.164 0.236 -11.696 1.00 0.00 O ATOM 124 CB PRO A 9 12.285 1.071 -9.052 1.00 0.00 C ATOM 125 CG PRO A 9 13.730 1.543 -9.249 1.00 0.00 C ATOM 126 CD PRO A 9 14.551 0.305 -8.885 1.00 0.00 C ATOM 0 HA PRO A 9 11.561 -0.982 -8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.598 1.624 -9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.956 1.224 -8.024 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.914 1.861 -10.275 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.969 2.389 -8.605 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.459 0.245 -9.485 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.861 0.332 -7.840 1.00 0.00 H new ATOM 134 N ARG A 10 11.461 -1.869 -11.193 1.00 0.00 N ATOM 135 CA ARG A 10 11.068 -2.267 -12.520 1.00 0.00 C ATOM 136 C ARG A 10 9.578 -2.388 -12.420 1.00 0.00 C ATOM 137 O ARG A 10 8.839 -1.548 -12.930 1.00 0.00 O ATOM 138 CB ARG A 10 11.710 -3.611 -12.959 1.00 0.00 C ATOM 139 CG ARG A 10 13.246 -3.652 -12.827 1.00 0.00 C ATOM 140 CD ARG A 10 14.019 -2.588 -13.623 1.00 0.00 C ATOM 141 NE ARG A 10 13.827 -2.836 -15.089 1.00 0.00 N ATOM 142 CZ ARG A 10 14.595 -2.223 -16.041 1.00 0.00 C ATOM 143 NH1 ARG A 10 15.575 -1.337 -15.695 1.00 0.00 N ATOM 144 NH2 ARG A 10 14.376 -2.503 -17.360 1.00 0.00 N ATOM 0 H ARG A 10 11.318 -2.602 -10.499 1.00 0.00 H new ATOM 0 HA ARG A 10 11.397 -1.551 -13.274 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.284 -4.417 -12.361 1.00 0.00 H new ATOM 0 HB3 ARG A 10 11.441 -3.807 -13.997 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.503 -3.547 -11.773 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.592 -4.636 -13.143 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.665 -1.591 -13.361 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.079 -2.626 -13.371 1.00 0.00 H new ATOM 0 HE ARG A 10 13.098 -3.484 -15.387 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.745 -1.122 -14.712 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.137 -0.890 -16.419 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.646 -3.163 -17.627 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.943 -2.052 -18.078 1.00 0.00 H new ATOM 158 N THR A 11 9.121 -3.429 -11.684 1.00 0.00 N ATOM 159 CA THR A 11 7.766 -3.580 -11.215 1.00 0.00 C ATOM 160 C THR A 11 7.747 -3.051 -9.800 1.00 0.00 C ATOM 161 O THR A 11 6.706 -2.631 -9.297 1.00 0.00 O ATOM 162 CB THR A 11 7.299 -5.038 -11.254 1.00 0.00 C ATOM 163 OG1 THR A 11 5.898 -5.142 -11.011 1.00 0.00 O ATOM 164 CG2 THR A 11 8.073 -5.930 -10.254 1.00 0.00 C ATOM 0 H THR A 11 9.725 -4.202 -11.403 1.00 0.00 H new ATOM 0 HA THR A 11 7.080 -3.032 -11.861 1.00 0.00 H new ATOM 0 HB THR A 11 7.511 -5.400 -12.260 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.629 -6.084 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.705 -6.954 -10.320 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.136 -5.910 -10.496 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.924 -5.555 -9.241 1.00 0.00 H new ATOM 172 N ALA A 12 8.927 -3.087 -9.128 1.00 0.00 N ATOM 173 CA ALA A 12 9.051 -2.893 -7.712 1.00 0.00 C ATOM 174 C ALA A 12 9.056 -1.433 -7.379 1.00 0.00 C ATOM 175 O ALA A 12 9.004 -0.562 -8.247 1.00 0.00 O ATOM 176 CB ALA A 12 10.324 -3.543 -7.138 1.00 0.00 C ATOM 0 H ALA A 12 9.820 -3.257 -9.591 1.00 0.00 H new ATOM 0 HA ALA A 12 8.188 -3.378 -7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.370 -3.367 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.303 -4.616 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.202 -3.107 -7.615 1.00 0.00 H new ATOM 182 N PHE A 13 9.070 -1.165 -6.061 1.00 0.00 N ATOM 183 CA PHE A 13 8.844 0.141 -5.497 1.00 0.00 C ATOM 184 C PHE A 13 10.173 0.785 -5.233 1.00 0.00 C ATOM 185 O PHE A 13 11.223 0.147 -5.321 1.00 0.00 O ATOM 186 CB PHE A 13 8.057 0.064 -4.162 1.00 0.00 C ATOM 187 CG PHE A 13 6.643 -0.467 -4.302 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.000 -0.750 -5.529 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.923 -0.686 -3.116 1.00 0.00 C ATOM 190 CE1 PHE A 13 4.709 -1.288 -5.556 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.624 -1.200 -3.145 1.00 0.00 C ATOM 192 CZ PHE A 13 4.017 -1.514 -4.364 1.00 0.00 C ATOM 0 H PHE A 13 9.245 -1.881 -5.356 1.00 0.00 H new ATOM 0 HA PHE A 13 8.254 0.721 -6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.605 -0.572 -3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.017 1.059 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.512 -0.548 -6.458 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.381 -0.453 -2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.246 -1.529 -6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.087 -1.355 -2.221 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.020 -1.928 -4.384 1.00 0.00 H new ATOM 202 N THR A 14 10.126 2.094 -4.901 1.00 0.00 N ATOM 203 CA THR A 14 11.273 2.886 -4.518 1.00 0.00 C ATOM 204 C THR A 14 11.168 3.069 -3.027 1.00 0.00 C ATOM 205 O THR A 14 10.275 2.519 -2.388 1.00 0.00 O ATOM 206 CB THR A 14 11.368 4.231 -5.238 1.00 0.00 C ATOM 207 OG1 THR A 14 10.204 5.030 -5.052 1.00 0.00 O ATOM 208 CG2 THR A 14 11.572 3.970 -6.744 1.00 0.00 C ATOM 0 H THR A 14 9.256 2.626 -4.898 1.00 0.00 H new ATOM 0 HA THR A 14 12.187 2.368 -4.808 1.00 0.00 H new ATOM 0 HB THR A 14 12.209 4.781 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.311 5.880 -5.528 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.642 4.921 -7.272 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.491 3.404 -6.894 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.728 3.401 -7.132 1.00 0.00 H new ATOM 216 N ALA A 15 12.094 3.861 -2.438 1.00 0.00 N ATOM 217 CA ALA A 15 12.158 4.121 -1.018 1.00 0.00 C ATOM 218 C ALA A 15 11.023 5.003 -0.572 1.00 0.00 C ATOM 219 O ALA A 15 10.543 4.878 0.554 1.00 0.00 O ATOM 220 CB ALA A 15 13.471 4.825 -0.630 1.00 0.00 C ATOM 0 H ALA A 15 12.825 4.338 -2.966 1.00 0.00 H new ATOM 0 HA ALA A 15 12.097 3.149 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.484 5.004 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.317 4.194 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.543 5.776 -1.157 1.00 0.00 H new ATOM 226 N GLU A 16 10.570 5.914 -1.465 1.00 0.00 N ATOM 227 CA GLU A 16 9.555 6.896 -1.200 1.00 0.00 C ATOM 228 C GLU A 16 8.181 6.289 -1.274 1.00 0.00 C ATOM 229 O GLU A 16 7.250 6.767 -0.628 1.00 0.00 O ATOM 230 CB GLU A 16 9.628 8.041 -2.235 1.00 0.00 C ATOM 231 CG GLU A 16 10.990 8.763 -2.274 1.00 0.00 C ATOM 232 CD GLU A 16 11.312 9.369 -0.909 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.542 10.259 -0.457 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.333 8.952 -0.299 1.00 0.00 O ATOM 0 H GLU A 16 10.931 5.966 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 16 9.733 7.281 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.414 7.637 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.848 8.769 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.773 8.061 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.972 9.547 -3.031 1.00 0.00 H new ATOM 241 N GLN A 17 8.035 5.203 -2.067 1.00 0.00 N ATOM 242 CA GLN A 17 6.784 4.512 -2.251 1.00 0.00 C ATOM 243 C GLN A 17 6.532 3.607 -1.082 1.00 0.00 C ATOM 244 O GLN A 17 5.420 3.572 -0.562 1.00 0.00 O ATOM 245 CB GLN A 17 6.734 3.708 -3.565 1.00 0.00 C ATOM 246 CG GLN A 17 6.691 4.627 -4.798 1.00 0.00 C ATOM 247 CD GLN A 17 6.424 3.813 -6.068 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.472 2.578 -6.063 1.00 0.00 O ATOM 249 NE2 GLN A 17 6.126 4.545 -7.186 1.00 0.00 N ATOM 0 H GLN A 17 8.806 4.794 -2.594 1.00 0.00 H new ATOM 0 HA GLN A 17 6.002 5.268 -2.315 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.607 3.058 -3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.856 3.062 -3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.912 5.379 -4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.637 5.161 -4.894 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.099 5.563 -7.137 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.931 4.072 -8.068 1.00 0.00 H new ATOM 258 N LEU A 18 7.578 2.888 -0.612 1.00 0.00 N ATOM 259 CA LEU A 18 7.556 2.061 0.570 1.00 0.00 C ATOM 260 C LEU A 18 7.215 2.858 1.805 1.00 0.00 C ATOM 261 O LEU A 18 6.422 2.401 2.618 1.00 0.00 O ATOM 262 CB LEU A 18 8.930 1.387 0.803 1.00 0.00 C ATOM 263 CG LEU A 18 9.287 0.302 -0.237 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.789 -0.040 -0.201 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.431 -0.967 -0.077 1.00 0.00 C ATOM 0 H LEU A 18 8.485 2.882 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 18 6.789 1.306 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.705 2.154 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.939 0.939 1.797 1.00 0.00 H new ATOM 0 HG LEU A 18 9.058 0.723 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.006 -0.807 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.371 0.855 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.054 -0.410 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.721 -1.699 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.587 -1.388 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.378 -0.714 -0.202 1.00 0.00 H new ATOM 277 N GLN A 19 7.785 4.083 1.945 1.00 0.00 N ATOM 278 CA GLN A 19 7.630 4.983 3.074 1.00 0.00 C ATOM 279 C GLN A 19 6.185 5.273 3.386 1.00 0.00 C ATOM 280 O GLN A 19 5.741 5.122 4.524 1.00 0.00 O ATOM 281 CB GLN A 19 8.392 6.307 2.807 1.00 0.00 C ATOM 282 CG GLN A 19 8.346 7.373 3.924 1.00 0.00 C ATOM 283 CD GLN A 19 7.087 8.254 3.864 1.00 0.00 C ATOM 284 OE1 GLN A 19 6.292 8.279 4.810 1.00 0.00 O ATOM 285 NE2 GLN A 19 6.920 8.991 2.723 1.00 0.00 N ATOM 0 H GLN A 19 8.394 4.472 1.225 1.00 0.00 H new ATOM 0 HA GLN A 19 8.054 4.483 3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.437 6.065 2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.992 6.752 1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.390 6.877 4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.230 8.007 3.850 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.608 8.932 1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.107 9.599 2.623 1.00 0.00 H new ATOM 294 N ARG A 20 5.434 5.673 2.340 1.00 0.00 N ATOM 295 CA ARG A 20 4.021 5.988 2.357 1.00 0.00 C ATOM 296 C ARG A 20 3.199 4.824 2.843 1.00 0.00 C ATOM 297 O ARG A 20 2.351 4.985 3.718 1.00 0.00 O ATOM 298 CB ARG A 20 3.544 6.381 0.936 1.00 0.00 C ATOM 299 CG ARG A 20 2.025 6.501 0.693 1.00 0.00 C ATOM 300 CD ARG A 20 1.305 7.555 1.540 1.00 0.00 C ATOM 301 NE ARG A 20 -0.134 7.550 1.117 1.00 0.00 N ATOM 302 CZ ARG A 20 -1.094 8.295 1.744 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.786 9.073 2.822 1.00 0.00 N ATOM 304 NH2 ARG A 20 -2.378 8.260 1.282 1.00 0.00 N ATOM 0 H ARG A 20 5.839 5.787 1.411 1.00 0.00 H new ATOM 0 HA ARG A 20 3.883 6.823 3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.000 7.338 0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.938 5.645 0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.860 6.731 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.566 5.531 0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.396 7.324 2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.748 8.539 1.389 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.408 6.966 0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.172 9.105 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.514 9.623 3.279 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.614 7.682 0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.101 8.812 1.743 1.00 0.00 H new ATOM 318 N LEU A 21 3.436 3.621 2.279 1.00 0.00 N ATOM 319 CA LEU A 21 2.585 2.473 2.475 1.00 0.00 C ATOM 320 C LEU A 21 2.824 1.791 3.787 1.00 0.00 C ATOM 321 O LEU A 21 1.945 1.073 4.249 1.00 0.00 O ATOM 322 CB LEU A 21 2.785 1.409 1.381 1.00 0.00 C ATOM 323 CG LEU A 21 2.564 1.945 -0.044 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.076 0.962 -1.106 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.104 2.356 -0.319 1.00 0.00 C ATOM 0 H LEU A 21 4.236 3.438 1.673 1.00 0.00 H new ATOM 0 HA LEU A 21 1.573 2.877 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.795 1.007 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.098 0.582 1.560 1.00 0.00 H new ATOM 0 HG LEU A 21 3.157 2.857 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.902 1.376 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.144 0.796 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.546 0.014 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.016 2.725 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.452 1.492 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.810 3.142 0.377 1.00 0.00 H new ATOM 337 N LYS A 22 4.004 1.996 4.424 1.00 0.00 N ATOM 338 CA LYS A 22 4.308 1.431 5.723 1.00 0.00 C ATOM 339 C LYS A 22 3.641 2.239 6.802 1.00 0.00 C ATOM 340 O LYS A 22 3.425 1.738 7.905 1.00 0.00 O ATOM 341 CB LYS A 22 5.825 1.380 6.047 1.00 0.00 C ATOM 342 CG LYS A 22 6.654 0.362 5.243 1.00 0.00 C ATOM 343 CD LYS A 22 6.090 -1.066 5.225 1.00 0.00 C ATOM 344 CE LYS A 22 5.963 -1.762 6.588 1.00 0.00 C ATOM 345 NZ LYS A 22 7.287 -1.946 7.225 1.00 0.00 N ATOM 0 H LYS A 22 4.759 2.561 4.035 1.00 0.00 H new ATOM 0 HA LYS A 22 3.937 0.407 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.245 2.372 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.942 1.157 7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.739 0.716 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.663 0.333 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.104 -1.039 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.727 -1.678 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.322 -1.171 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.481 -2.731 6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.168 -2.419 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.890 -2.530 6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.735 -1.019 7.368 1.00 0.00 H new ATOM 359 N ALA A 23 3.267 3.502 6.491 1.00 0.00 N ATOM 360 CA ALA A 23 2.529 4.362 7.386 1.00 0.00 C ATOM 361 C ALA A 23 1.069 3.990 7.333 1.00 0.00 C ATOM 362 O ALA A 23 0.364 4.072 8.339 1.00 0.00 O ATOM 363 CB ALA A 23 2.664 5.853 7.019 1.00 0.00 C ATOM 0 H ALA A 23 3.482 3.939 5.595 1.00 0.00 H new ATOM 0 HA ALA A 23 2.943 4.222 8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.090 6.455 7.724 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.713 6.145 7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.285 6.015 6.010 1.00 0.00 H new ATOM 369 N GLU A 24 0.598 3.540 6.144 1.00 0.00 N ATOM 370 CA GLU A 24 -0.756 3.101 5.912 1.00 0.00 C ATOM 371 C GLU A 24 -0.974 1.739 6.510 1.00 0.00 C ATOM 372 O GLU A 24 -2.044 1.480 7.048 1.00 0.00 O ATOM 373 CB GLU A 24 -1.103 3.012 4.405 1.00 0.00 C ATOM 374 CG GLU A 24 -1.096 4.370 3.681 1.00 0.00 C ATOM 375 CD GLU A 24 -2.201 5.273 4.229 1.00 0.00 C ATOM 376 OE1 GLU A 24 -3.394 4.878 4.133 1.00 0.00 O ATOM 377 OE2 GLU A 24 -1.866 6.372 4.748 1.00 0.00 O ATOM 0 H GLU A 24 1.184 3.480 5.311 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.400 3.846 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.390 2.348 3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.088 2.558 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.127 4.852 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.238 4.219 2.611 1.00 0.00 H new ATOM 384 N PHE A 25 0.051 0.852 6.445 1.00 0.00 N ATOM 385 CA PHE A 25 0.033 -0.520 6.908 1.00 0.00 C ATOM 386 C PHE A 25 -0.081 -0.552 8.411 1.00 0.00 C ATOM 387 O PHE A 25 -0.803 -1.378 8.968 1.00 0.00 O ATOM 388 CB PHE A 25 1.336 -1.262 6.472 1.00 0.00 C ATOM 389 CG PHE A 25 1.310 -2.745 6.750 1.00 0.00 C ATOM 390 CD1 PHE A 25 1.730 -3.255 7.994 1.00 0.00 C ATOM 391 CD2 PHE A 25 0.869 -3.645 5.765 1.00 0.00 C ATOM 392 CE1 PHE A 25 1.671 -4.627 8.259 1.00 0.00 C ATOM 393 CE2 PHE A 25 0.803 -5.018 6.031 1.00 0.00 C ATOM 394 CZ PHE A 25 1.198 -5.509 7.280 1.00 0.00 C ATOM 0 H PHE A 25 0.952 1.109 6.043 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.826 -1.023 6.464 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.494 -1.104 5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.187 -0.819 6.990 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.101 -2.580 8.751 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.578 -3.274 4.793 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.990 -5.006 9.219 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.447 -5.698 5.272 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.138 -6.567 7.489 1.00 0.00 H new ATOM 404 N GLN A 26 0.644 0.374 9.084 1.00 0.00 N ATOM 405 CA GLN A 26 0.748 0.485 10.519 1.00 0.00 C ATOM 406 C GLN A 26 -0.584 0.802 11.140 1.00 0.00 C ATOM 407 O GLN A 26 -0.980 0.177 12.123 1.00 0.00 O ATOM 408 CB GLN A 26 1.751 1.599 10.903 1.00 0.00 C ATOM 409 CG GLN A 26 2.027 1.723 12.412 1.00 0.00 C ATOM 410 CD GLN A 26 3.045 2.845 12.660 1.00 0.00 C ATOM 411 OE1 GLN A 26 2.695 3.898 13.206 1.00 0.00 O ATOM 412 NE2 GLN A 26 4.325 2.599 12.246 1.00 0.00 N ATOM 0 H GLN A 26 1.189 1.086 8.598 1.00 0.00 H new ATOM 0 HA GLN A 26 1.097 -0.477 10.894 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.694 1.413 10.389 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.371 2.553 10.537 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.100 1.935 12.945 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.409 0.779 12.801 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.555 1.711 11.801 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.049 3.304 12.382 1.00 0.00 H new ATOM 421 N THR A 27 -1.310 1.781 10.550 1.00 0.00 N ATOM 422 CA THR A 27 -2.588 2.241 11.036 1.00 0.00 C ATOM 423 C THR A 27 -3.632 1.221 10.670 1.00 0.00 C ATOM 424 O THR A 27 -4.162 0.516 11.527 1.00 0.00 O ATOM 425 CB THR A 27 -2.950 3.619 10.499 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.897 4.534 10.773 1.00 0.00 O ATOM 427 CG2 THR A 27 -4.244 4.132 11.169 1.00 0.00 C ATOM 0 H THR A 27 -0.999 2.268 9.709 1.00 0.00 H new ATOM 0 HA THR A 27 -2.535 2.347 12.119 1.00 0.00 H new ATOM 0 HB THR A 27 -3.105 3.541 9.423 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.214 4.466 10.073 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.491 5.118 10.776 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.061 3.442 10.958 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.094 4.198 12.247 1.00 0.00 H new ATOM 435 N ASN A 28 -3.926 1.140 9.364 1.00 0.00 N ATOM 436 CA ASN A 28 -4.941 0.312 8.789 1.00 0.00 C ATOM 437 C ASN A 28 -4.263 -0.785 8.030 1.00 0.00 C ATOM 438 O ASN A 28 -3.843 -0.609 6.887 1.00 0.00 O ATOM 439 CB ASN A 28 -5.779 1.117 7.778 1.00 0.00 C ATOM 440 CG ASN A 28 -6.608 2.181 8.507 1.00 0.00 C ATOM 441 OD1 ASN A 28 -6.289 3.375 8.454 1.00 0.00 O ATOM 442 ND2 ASN A 28 -7.696 1.723 9.198 1.00 0.00 N ATOM 0 H ASN A 28 -3.424 1.686 8.664 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.584 -0.071 9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.124 1.593 7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.438 0.447 7.226 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.292 2.378 9.704 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.912 0.726 9.207 1.00 0.00 H new ATOM 449 N ARG A 29 -4.183 -1.980 8.650 1.00 0.00 N ATOM 450 CA ARG A 29 -3.692 -3.170 8.002 1.00 0.00 C ATOM 451 C ARG A 29 -4.778 -3.675 7.098 1.00 0.00 C ATOM 452 O ARG A 29 -4.516 -4.124 5.983 1.00 0.00 O ATOM 453 CB ARG A 29 -3.358 -4.303 8.990 1.00 0.00 C ATOM 454 CG ARG A 29 -2.335 -5.285 8.399 1.00 0.00 C ATOM 455 CD ARG A 29 -2.076 -6.531 9.256 1.00 0.00 C ATOM 456 NE ARG A 29 -3.281 -7.423 9.182 1.00 0.00 N ATOM 457 CZ ARG A 29 -3.212 -8.782 9.334 1.00 0.00 C ATOM 458 NH1 ARG A 29 -2.037 -9.400 9.647 1.00 0.00 N ATOM 459 NH2 ARG A 29 -4.338 -9.534 9.158 1.00 0.00 N ATOM 0 H ARG A 29 -4.464 -2.126 9.620 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.776 -2.904 7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.964 -3.877 9.913 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.270 -4.840 9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.682 -5.602 7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.391 -4.760 8.250 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.192 -7.059 8.898 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.880 -6.245 10.289 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.192 -6.998 9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.188 -8.848 9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.007 -10.414 9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.220 -9.083 8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.297 -10.547 9.269 1.00 0.00 H new ATOM 473 N TYR A 30 -6.040 -3.560 7.591 1.00 0.00 N ATOM 474 CA TYR A 30 -7.259 -3.851 6.898 1.00 0.00 C ATOM 475 C TYR A 30 -7.594 -2.635 6.079 1.00 0.00 C ATOM 476 O TYR A 30 -8.487 -1.847 6.387 1.00 0.00 O ATOM 477 CB TYR A 30 -8.405 -4.164 7.885 1.00 0.00 C ATOM 478 CG TYR A 30 -8.026 -5.355 8.729 1.00 0.00 C ATOM 479 CD1 TYR A 30 -7.906 -6.633 8.153 1.00 0.00 C ATOM 480 CD2 TYR A 30 -7.751 -5.200 10.098 1.00 0.00 C ATOM 481 CE1 TYR A 30 -7.514 -7.731 8.927 1.00 0.00 C ATOM 482 CE2 TYR A 30 -7.361 -6.297 10.878 1.00 0.00 C ATOM 483 CZ TYR A 30 -7.244 -7.564 10.293 1.00 0.00 C ATOM 484 OH TYR A 30 -6.859 -8.672 11.081 1.00 0.00 O ATOM 0 H TYR A 30 -6.210 -3.239 8.544 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.135 -4.732 6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.598 -3.300 8.521 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.325 -4.370 7.338 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.119 -6.768 7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.841 -4.225 10.554 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.419 -8.706 8.473 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.151 -6.165 11.929 1.00 0.00 H new ATOM 0 HH TYR A 30 -6.709 -8.380 12.005 1.00 0.00 H new ATOM 494 N LEU A 31 -6.808 -2.493 4.997 1.00 0.00 N ATOM 495 CA LEU A 31 -6.789 -1.447 4.023 1.00 0.00 C ATOM 496 C LEU A 31 -7.854 -1.840 3.038 1.00 0.00 C ATOM 497 O LEU A 31 -7.933 -3.006 2.650 1.00 0.00 O ATOM 498 CB LEU A 31 -5.375 -1.459 3.377 1.00 0.00 C ATOM 499 CG LEU A 31 -4.860 -0.180 2.679 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.683 0.245 1.468 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.616 0.993 3.642 1.00 0.00 C ATOM 0 H LEU A 31 -6.103 -3.198 4.783 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.977 -0.446 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.659 -1.720 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.355 -2.265 2.644 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.884 -0.473 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.255 1.150 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.673 -0.551 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.710 0.441 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.256 1.855 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.548 1.251 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.871 0.706 4.384 1.00 0.00 H new ATOM 513 N THR A 32 -8.732 -0.887 2.639 1.00 0.00 N ATOM 514 CA THR A 32 -9.871 -1.179 1.804 1.00 0.00 C ATOM 515 C THR A 32 -9.385 -1.032 0.408 1.00 0.00 C ATOM 516 O THR A 32 -8.475 -0.253 0.165 1.00 0.00 O ATOM 517 CB THR A 32 -11.114 -0.326 2.072 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.014 1.017 1.608 1.00 0.00 O ATOM 519 CG2 THR A 32 -11.341 -0.285 3.591 1.00 0.00 C ATOM 0 H THR A 32 -8.651 0.096 2.899 1.00 0.00 H new ATOM 0 HA THR A 32 -10.229 -2.185 2.022 1.00 0.00 H new ATOM 0 HB THR A 32 -11.936 -0.788 1.526 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.844 1.497 1.813 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.222 0.317 3.811 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.492 -1.298 3.964 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.470 0.155 4.077 1.00 0.00 H new ATOM 527 N GLU A 33 -9.982 -1.778 -0.538 1.00 0.00 N ATOM 528 CA GLU A 33 -9.554 -1.795 -1.917 1.00 0.00 C ATOM 529 C GLU A 33 -9.937 -0.518 -2.640 1.00 0.00 C ATOM 530 O GLU A 33 -9.521 -0.300 -3.775 1.00 0.00 O ATOM 531 CB GLU A 33 -10.103 -3.039 -2.660 1.00 0.00 C ATOM 532 CG GLU A 33 -9.304 -3.408 -3.925 1.00 0.00 C ATOM 533 CD GLU A 33 -9.819 -4.718 -4.517 1.00 0.00 C ATOM 534 OE1 GLU A 33 -9.748 -5.759 -3.810 1.00 0.00 O ATOM 535 OE2 GLU A 33 -10.280 -4.698 -5.691 1.00 0.00 O ATOM 0 H GLU A 33 -10.780 -2.385 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.466 -1.856 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.100 -3.889 -1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.141 -2.857 -2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.389 -2.610 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.246 -3.503 -3.680 1.00 0.00 H new ATOM 542 N GLN A 34 -10.730 0.365 -1.983 1.00 0.00 N ATOM 543 CA GLN A 34 -11.223 1.599 -2.541 1.00 0.00 C ATOM 544 C GLN A 34 -10.294 2.731 -2.183 1.00 0.00 C ATOM 545 O GLN A 34 -10.024 3.613 -2.995 1.00 0.00 O ATOM 546 CB GLN A 34 -12.645 1.912 -2.016 1.00 0.00 C ATOM 547 CG GLN A 34 -13.287 3.189 -2.591 1.00 0.00 C ATOM 548 CD GLN A 34 -13.347 3.100 -4.123 1.00 0.00 C ATOM 549 OE1 GLN A 34 -14.074 2.264 -4.674 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.547 3.971 -4.813 1.00 0.00 N ATOM 0 H GLN A 34 -11.040 0.211 -1.023 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.268 1.490 -3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.293 1.065 -2.241 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.603 2.002 -0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.291 3.316 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.709 4.063 -2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.967 4.641 -4.307 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.531 3.950 -5.833 1.00 0.00 H new ATOM 559 N ARG A 35 -9.781 2.727 -0.936 1.00 0.00 N ATOM 560 CA ARG A 35 -8.901 3.729 -0.388 1.00 0.00 C ATOM 561 C ARG A 35 -7.491 3.357 -0.719 1.00 0.00 C ATOM 562 O ARG A 35 -6.598 4.200 -0.727 1.00 0.00 O ATOM 563 CB ARG A 35 -9.135 3.733 1.125 1.00 0.00 C ATOM 564 CG ARG A 35 -8.175 4.508 2.036 1.00 0.00 C ATOM 565 CD ARG A 35 -7.051 3.650 2.630 1.00 0.00 C ATOM 566 NE ARG A 35 -7.684 2.595 3.493 1.00 0.00 N ATOM 567 CZ ARG A 35 -7.889 2.729 4.840 1.00 0.00 C ATOM 568 NH1 ARG A 35 -7.457 3.833 5.516 1.00 0.00 N ATOM 569 NH2 ARG A 35 -8.541 1.738 5.514 1.00 0.00 N ATOM 0 H ARG A 35 -9.990 1.984 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.091 4.722 -0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.138 4.124 1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.135 2.695 1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.732 5.326 1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.745 4.956 2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.461 3.191 1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.370 4.266 3.218 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.979 1.726 3.048 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.971 4.578 5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.620 3.913 6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.868 0.911 5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.701 1.824 6.518 1.00 0.00 H new ATOM 583 N ARG A 36 -7.281 2.070 -1.072 1.00 0.00 N ATOM 584 CA ARG A 36 -6.116 1.590 -1.777 1.00 0.00 C ATOM 585 C ARG A 36 -5.916 2.295 -3.098 1.00 0.00 C ATOM 586 O ARG A 36 -4.787 2.480 -3.547 1.00 0.00 O ATOM 587 CB ARG A 36 -6.226 0.092 -2.107 1.00 0.00 C ATOM 588 CG ARG A 36 -4.878 -0.561 -2.419 1.00 0.00 C ATOM 589 CD ARG A 36 -5.009 -2.038 -2.816 1.00 0.00 C ATOM 590 NE ARG A 36 -5.769 -2.803 -1.769 1.00 0.00 N ATOM 591 CZ ARG A 36 -5.195 -3.313 -0.637 1.00 0.00 C ATOM 592 NH1 ARG A 36 -3.864 -3.165 -0.388 1.00 0.00 N ATOM 593 NH2 ARG A 36 -5.975 -3.982 0.263 1.00 0.00 N ATOM 0 H ARG A 36 -7.949 1.330 -0.859 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.281 1.786 -1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.686 -0.425 -1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.890 -0.037 -2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.393 -0.014 -3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.230 -0.480 -1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.520 -2.118 -3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.019 -2.474 -2.945 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.768 -2.950 -1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.273 -2.665 -1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.458 -3.554 0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.973 -4.096 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.559 -4.367 1.111 1.00 0.00 H new ATOM 607 N GLN A 37 -7.035 2.727 -3.741 1.00 0.00 N ATOM 608 CA GLN A 37 -7.002 3.450 -4.994 1.00 0.00 C ATOM 609 C GLN A 37 -6.600 4.873 -4.773 1.00 0.00 C ATOM 610 O GLN A 37 -6.231 5.558 -5.721 1.00 0.00 O ATOM 611 CB GLN A 37 -8.343 3.495 -5.764 1.00 0.00 C ATOM 612 CG GLN A 37 -8.926 2.092 -5.948 1.00 0.00 C ATOM 613 CD GLN A 37 -10.088 2.069 -6.947 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.214 1.705 -6.587 1.00 0.00 O ATOM 615 NE2 GLN A 37 -9.793 2.441 -8.229 1.00 0.00 N ATOM 0 H GLN A 37 -7.978 2.571 -3.384 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.282 2.892 -5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.055 4.119 -5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.190 3.958 -6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.142 1.418 -6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.271 1.716 -4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.846 2.733 -8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.520 2.427 -8.944 1.00 0.00 H new ATOM 624 N SER A 38 -6.647 5.351 -3.507 1.00 0.00 N ATOM 625 CA SER A 38 -6.196 6.686 -3.190 1.00 0.00 C ATOM 626 C SER A 38 -4.700 6.676 -3.053 1.00 0.00 C ATOM 627 O SER A 38 -4.047 7.641 -3.431 1.00 0.00 O ATOM 628 CB SER A 38 -6.792 7.208 -1.871 1.00 0.00 C ATOM 629 OG SER A 38 -6.622 8.613 -1.721 1.00 0.00 O ATOM 0 H SER A 38 -6.994 4.820 -2.708 1.00 0.00 H new ATOM 0 HA SER A 38 -6.524 7.341 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.854 6.967 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.319 6.695 -1.033 1.00 0.00 H new ATOM 0 HG SER A 38 -7.016 8.901 -0.871 1.00 0.00 H new ATOM 635 N LEU A 39 -4.130 5.558 -2.533 1.00 0.00 N ATOM 636 CA LEU A 39 -2.702 5.374 -2.372 1.00 0.00 C ATOM 637 C LEU A 39 -2.082 5.202 -3.734 1.00 0.00 C ATOM 638 O LEU A 39 -0.933 5.572 -3.967 1.00 0.00 O ATOM 639 CB LEU A 39 -2.315 4.118 -1.550 1.00 0.00 C ATOM 640 CG LEU A 39 -3.195 3.800 -0.319 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.642 2.564 0.414 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.416 4.974 0.651 1.00 0.00 C ATOM 0 H LEU A 39 -4.677 4.758 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.344 6.254 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.335 3.255 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.285 4.236 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.190 3.590 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.266 2.345 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.646 1.708 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.622 2.762 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.045 4.648 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.455 5.313 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.905 5.794 0.125 1.00 0.00 H new ATOM 654 N ALA A 40 -2.890 4.640 -4.668 1.00 0.00 N ATOM 655 CA ALA A 40 -2.570 4.460 -6.055 1.00 0.00 C ATOM 656 C ALA A 40 -2.582 5.776 -6.784 1.00 0.00 C ATOM 657 O ALA A 40 -1.895 5.922 -7.791 1.00 0.00 O ATOM 658 CB ALA A 40 -3.581 3.530 -6.742 1.00 0.00 C ATOM 0 H ALA A 40 -3.820 4.293 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.574 4.018 -6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.312 3.413 -7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.569 2.556 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.580 3.961 -6.669 1.00 0.00 H new ATOM 664 N GLN A 41 -3.348 6.785 -6.286 1.00 0.00 N ATOM 665 CA GLN A 41 -3.337 8.102 -6.891 1.00 0.00 C ATOM 666 C GLN A 41 -2.099 8.860 -6.479 1.00 0.00 C ATOM 667 O GLN A 41 -1.651 9.733 -7.222 1.00 0.00 O ATOM 668 CB GLN A 41 -4.574 8.958 -6.533 1.00 0.00 C ATOM 669 CG GLN A 41 -5.835 8.521 -7.296 1.00 0.00 C ATOM 670 CD GLN A 41 -7.049 9.282 -6.752 1.00 0.00 C ATOM 671 OE1 GLN A 41 -7.148 10.504 -6.915 1.00 0.00 O ATOM 672 NE2 GLN A 41 -7.986 8.535 -6.090 1.00 0.00 N ATOM 0 H GLN A 41 -3.965 6.692 -5.479 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.352 7.930 -7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.760 8.890 -5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.364 10.004 -6.755 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.716 8.719 -8.361 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.986 7.447 -7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.854 7.529 -5.984 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.816 8.984 -5.703 1.00 0.00 H new ATOM 681 N GLU A 42 -1.516 8.550 -5.290 1.00 0.00 N ATOM 682 CA GLU A 42 -0.424 9.339 -4.751 1.00 0.00 C ATOM 683 C GLU A 42 0.879 9.050 -5.419 1.00 0.00 C ATOM 684 O GLU A 42 1.475 9.917 -6.058 1.00 0.00 O ATOM 685 CB GLU A 42 -0.176 9.186 -3.225 1.00 0.00 C ATOM 686 CG GLU A 42 -1.422 9.369 -2.349 1.00 0.00 C ATOM 687 CD GLU A 42 -2.100 10.710 -2.619 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.457 11.762 -2.360 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.271 10.701 -3.085 1.00 0.00 O ATOM 0 H GLU A 42 -1.796 7.762 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.765 10.355 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.241 8.197 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.576 9.913 -2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.126 8.559 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.142 9.306 -1.297 1.00 0.00 H new ATOM 696 N LEU A 43 1.340 7.800 -5.257 1.00 0.00 N ATOM 697 CA LEU A 43 2.631 7.325 -5.671 1.00 0.00 C ATOM 698 C LEU A 43 2.626 7.139 -7.151 1.00 0.00 C ATOM 699 O LEU A 43 3.650 7.274 -7.821 1.00 0.00 O ATOM 700 CB LEU A 43 2.903 5.966 -5.001 1.00 0.00 C ATOM 701 CG LEU A 43 2.817 6.046 -3.460 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.905 4.650 -2.823 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.851 7.023 -2.865 1.00 0.00 C ATOM 0 H LEU A 43 0.781 7.073 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 43 3.400 8.043 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.183 5.233 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.893 5.612 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 43 1.837 6.454 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.842 4.740 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.083 4.033 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.853 4.186 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.750 7.043 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.856 6.695 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.679 8.023 -3.264 1.00 0.00 H new ATOM 715 N GLY A 44 1.422 6.836 -7.672 1.00 0.00 N ATOM 716 CA GLY A 44 1.186 6.622 -9.074 1.00 0.00 C ATOM 717 C GLY A 44 1.245 5.151 -9.292 1.00 0.00 C ATOM 718 O GLY A 44 1.688 4.683 -10.340 1.00 0.00 O ATOM 0 H GLY A 44 0.583 6.736 -7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.215 7.019 -9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.936 7.134 -9.676 1.00 0.00 H new ATOM 722 N LEU A 45 0.779 4.390 -8.273 1.00 0.00 N ATOM 723 CA LEU A 45 0.723 2.942 -8.340 1.00 0.00 C ATOM 724 C LEU A 45 -0.616 2.557 -8.910 1.00 0.00 C ATOM 725 O LEU A 45 -1.384 3.408 -9.357 1.00 0.00 O ATOM 726 CB LEU A 45 0.943 2.250 -6.965 1.00 0.00 C ATOM 727 CG LEU A 45 2.421 2.230 -6.496 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.527 1.782 -5.030 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.297 1.322 -7.376 1.00 0.00 C ATOM 0 H LEU A 45 0.437 4.777 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 45 1.540 2.600 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.341 2.760 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.578 1.225 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 45 2.791 3.251 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.574 1.777 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.969 2.472 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.114 0.779 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.323 1.340 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.916 0.301 -7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.273 1.680 -8.405 1.00 0.00 H new ATOM 741 N ASN A 46 -0.905 1.238 -8.928 1.00 0.00 N ATOM 742 CA ASN A 46 -2.178 0.694 -9.325 1.00 0.00 C ATOM 743 C ASN A 46 -2.777 0.138 -8.068 1.00 0.00 C ATOM 744 O ASN A 46 -2.233 0.305 -6.977 1.00 0.00 O ATOM 745 CB ASN A 46 -2.058 -0.448 -10.369 1.00 0.00 C ATOM 746 CG ASN A 46 -1.301 0.049 -11.610 1.00 0.00 C ATOM 747 OD1 ASN A 46 -0.192 -0.418 -11.894 1.00 0.00 O ATOM 748 ND2 ASN A 46 -1.927 1.014 -12.350 1.00 0.00 N ATOM 0 H ASN A 46 -0.230 0.523 -8.657 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.778 1.472 -9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.535 -1.298 -9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.051 -0.796 -10.654 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.478 1.387 -13.186 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.843 1.361 -12.065 1.00 0.00 H new ATOM 755 N GLU A 47 -3.929 -0.556 -8.202 1.00 0.00 N ATOM 756 CA GLU A 47 -4.562 -1.282 -7.128 1.00 0.00 C ATOM 757 C GLU A 47 -3.777 -2.525 -6.862 1.00 0.00 C ATOM 758 O GLU A 47 -3.499 -2.880 -5.720 1.00 0.00 O ATOM 759 CB GLU A 47 -5.999 -1.730 -7.487 1.00 0.00 C ATOM 760 CG GLU A 47 -6.820 -0.577 -8.073 1.00 0.00 C ATOM 761 CD GLU A 47 -8.301 -0.948 -8.119 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.877 -1.233 -7.035 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.880 -0.944 -9.239 1.00 0.00 O ATOM 0 H GLU A 47 -4.438 -0.615 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.600 -0.615 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.957 -2.549 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.495 -2.114 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.682 0.320 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.466 -0.343 -9.077 1.00 0.00 H new ATOM 770 N SER A 48 -3.416 -3.199 -7.973 1.00 0.00 N ATOM 771 CA SER A 48 -2.920 -4.556 -8.039 1.00 0.00 C ATOM 772 C SER A 48 -1.545 -4.687 -7.452 1.00 0.00 C ATOM 773 O SER A 48 -1.202 -5.732 -6.903 1.00 0.00 O ATOM 774 CB SER A 48 -2.854 -5.072 -9.494 1.00 0.00 C ATOM 775 OG SER A 48 -4.143 -5.043 -10.092 1.00 0.00 O ATOM 0 H SER A 48 -3.473 -2.768 -8.896 1.00 0.00 H new ATOM 0 HA SER A 48 -3.627 -5.150 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.164 -4.458 -10.073 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.463 -6.089 -9.508 1.00 0.00 H new ATOM 0 HG SER A 48 -4.084 -5.371 -11.014 1.00 0.00 H new ATOM 781 N GLN A 49 -0.733 -3.609 -7.540 1.00 0.00 N ATOM 782 CA GLN A 49 0.611 -3.549 -7.030 1.00 0.00 C ATOM 783 C GLN A 49 0.604 -3.581 -5.525 1.00 0.00 C ATOM 784 O GLN A 49 1.413 -4.268 -4.906 1.00 0.00 O ATOM 785 CB GLN A 49 1.292 -2.229 -7.460 1.00 0.00 C ATOM 786 CG GLN A 49 1.463 -2.069 -8.982 1.00 0.00 C ATOM 787 CD GLN A 49 2.420 -3.143 -9.516 1.00 0.00 C ATOM 788 OE1 GLN A 49 3.596 -3.178 -9.135 1.00 0.00 O ATOM 789 NE2 GLN A 49 1.895 -4.029 -10.415 1.00 0.00 N ATOM 0 H GLN A 49 -1.027 -2.740 -7.987 1.00 0.00 H new ATOM 0 HA GLN A 49 1.152 -4.407 -7.429 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.705 -1.392 -7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.273 -2.170 -6.988 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.495 -2.154 -9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.852 -1.077 -9.211 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.917 -3.953 -10.694 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.481 -4.766 -10.807 1.00 0.00 H new ATOM 798 N ILE A 50 -0.336 -2.822 -4.920 1.00 0.00 N ATOM 799 CA ILE A 50 -0.434 -2.603 -3.502 1.00 0.00 C ATOM 800 C ILE A 50 -1.123 -3.784 -2.847 1.00 0.00 C ATOM 801 O ILE A 50 -0.830 -4.101 -1.699 1.00 0.00 O ATOM 802 CB ILE A 50 -1.146 -1.288 -3.201 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.536 -0.140 -4.043 1.00 0.00 C ATOM 804 CG2 ILE A 50 -1.048 -0.965 -1.696 1.00 0.00 C ATOM 805 CD1 ILE A 50 -1.236 1.200 -3.824 1.00 0.00 C ATOM 0 H ILE A 50 -1.063 -2.337 -5.446 1.00 0.00 H new ATOM 0 HA ILE A 50 0.569 -2.522 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.198 -1.389 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.520 -0.036 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.590 -0.403 -5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.559 -0.024 -1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.515 -1.764 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.000 -0.878 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.762 1.963 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.287 1.111 -4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.159 1.484 -2.774 1.00 0.00 H new ATOM 817 N LYS A 51 -2.026 -4.502 -3.570 1.00 0.00 N ATOM 818 CA LYS A 51 -2.735 -5.669 -3.081 1.00 0.00 C ATOM 819 C LYS A 51 -1.784 -6.787 -2.748 1.00 0.00 C ATOM 820 O LYS A 51 -1.900 -7.410 -1.693 1.00 0.00 O ATOM 821 CB LYS A 51 -3.748 -6.212 -4.120 1.00 0.00 C ATOM 822 CG LYS A 51 -5.054 -5.407 -4.174 1.00 0.00 C ATOM 823 CD LYS A 51 -6.016 -5.815 -5.302 1.00 0.00 C ATOM 824 CE LYS A 51 -6.626 -7.211 -5.126 1.00 0.00 C ATOM 825 NZ LYS A 51 -7.599 -7.500 -6.206 1.00 0.00 N ATOM 0 H LYS A 51 -2.272 -4.261 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.266 -5.341 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.284 -6.206 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.979 -7.251 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.570 -5.513 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.809 -4.351 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.821 -5.083 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.482 -5.780 -6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.836 -7.962 -5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.121 -7.277 -4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.000 -8.450 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.363 -6.795 -6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.118 -7.458 -7.127 1.00 0.00 H new ATOM 839 N ILE A 52 -0.803 -7.040 -3.645 1.00 0.00 N ATOM 840 CA ILE A 52 0.215 -8.047 -3.534 1.00 0.00 C ATOM 841 C ILE A 52 1.139 -7.702 -2.404 1.00 0.00 C ATOM 842 O ILE A 52 1.442 -8.547 -1.565 1.00 0.00 O ATOM 843 CB ILE A 52 0.942 -8.131 -4.873 1.00 0.00 C ATOM 844 CG1 ILE A 52 -0.003 -8.761 -5.930 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.276 -8.886 -4.734 1.00 0.00 C ATOM 846 CD1 ILE A 52 0.549 -8.739 -7.358 1.00 0.00 C ATOM 0 H ILE A 52 -0.718 -6.501 -4.507 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.213 -9.024 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 52 1.202 -7.129 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.208 -9.794 -5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.955 -8.230 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.772 -8.930 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.917 -8.365 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.086 -9.898 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.172 -9.198 -8.034 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.728 -7.708 -7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.485 -9.296 -7.395 1.00 0.00 H new ATOM 858 N TRP A 53 1.575 -6.426 -2.366 1.00 0.00 N ATOM 859 CA TRP A 53 2.498 -5.879 -1.400 1.00 0.00 C ATOM 860 C TRP A 53 1.988 -5.981 0.023 1.00 0.00 C ATOM 861 O TRP A 53 2.781 -6.214 0.927 1.00 0.00 O ATOM 862 CB TRP A 53 2.840 -4.401 -1.735 1.00 0.00 C ATOM 863 CG TRP A 53 3.854 -3.720 -0.827 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.217 -3.656 -0.922 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.494 -3.001 0.362 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.730 -2.910 0.118 1.00 0.00 N ATOM 867 CE2 TRP A 53 4.689 -2.499 0.922 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.265 -2.768 0.965 1.00 0.00 C ATOM 869 CZ2 TRP A 53 4.665 -1.749 2.095 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.249 -2.089 2.186 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.429 -1.589 2.741 1.00 0.00 C ATOM 0 H TRP A 53 1.268 -5.732 -3.048 1.00 0.00 H new ATOM 0 HA TRP A 53 3.403 -6.484 -1.465 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.215 -4.360 -2.758 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.917 -3.822 -1.711 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.806 -4.122 -1.698 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.716 -2.698 0.267 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.348 -3.102 0.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.566 -1.306 2.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.313 -1.949 2.707 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.390 -1.069 3.687 1.00 0.00 H new ATOM 882 N PHE A 54 0.664 -5.821 0.271 1.00 0.00 N ATOM 883 CA PHE A 54 0.099 -5.856 1.607 1.00 0.00 C ATOM 884 C PHE A 54 0.182 -7.245 2.171 1.00 0.00 C ATOM 885 O PHE A 54 0.559 -7.408 3.326 1.00 0.00 O ATOM 886 CB PHE A 54 -1.387 -5.394 1.655 1.00 0.00 C ATOM 887 CG PHE A 54 -1.504 -4.011 2.248 1.00 0.00 C ATOM 888 CD1 PHE A 54 -1.210 -2.873 1.481 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.922 -3.833 3.579 1.00 0.00 C ATOM 890 CE1 PHE A 54 -1.340 -1.587 2.015 1.00 0.00 C ATOM 891 CE2 PHE A 54 -2.043 -2.548 4.125 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.751 -1.425 3.342 1.00 0.00 C ATOM 0 H PHE A 54 -0.027 -5.665 -0.463 1.00 0.00 H new ATOM 0 HA PHE A 54 0.688 -5.158 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.806 -5.399 0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.972 -6.098 2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.878 -2.993 0.460 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.152 -4.696 4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.124 -0.722 1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.361 -2.424 5.150 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.843 -0.434 3.762 1.00 0.00 H new ATOM 902 N GLN A 55 -0.142 -8.284 1.363 1.00 0.00 N ATOM 903 CA GLN A 55 -0.155 -9.660 1.789 1.00 0.00 C ATOM 904 C GLN A 55 1.238 -10.207 1.973 1.00 0.00 C ATOM 905 O GLN A 55 1.444 -11.138 2.752 1.00 0.00 O ATOM 906 CB GLN A 55 -0.908 -10.547 0.773 1.00 0.00 C ATOM 907 CG GLN A 55 -2.364 -10.110 0.512 1.00 0.00 C ATOM 908 CD GLN A 55 -3.172 -10.095 1.817 1.00 0.00 C ATOM 909 OE1 GLN A 55 -3.335 -11.132 2.470 1.00 0.00 O ATOM 910 NE2 GLN A 55 -3.682 -8.882 2.195 1.00 0.00 N ATOM 0 H GLN A 55 -0.402 -8.162 0.384 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.670 -9.681 2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.364 -10.541 -0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.908 -11.575 1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.375 -9.118 0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.830 -10.790 -0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.517 -8.057 1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.227 -8.803 3.054 1.00 0.00 H new ATOM 919 N ASN A 56 2.233 -9.605 1.282 1.00 0.00 N ATOM 920 CA ASN A 56 3.636 -9.903 1.429 1.00 0.00 C ATOM 921 C ASN A 56 4.138 -9.390 2.756 1.00 0.00 C ATOM 922 O ASN A 56 4.877 -10.081 3.450 1.00 0.00 O ATOM 923 CB ASN A 56 4.482 -9.214 0.329 1.00 0.00 C ATOM 924 CG ASN A 56 4.262 -9.867 -1.043 1.00 0.00 C ATOM 925 OD1 ASN A 56 3.628 -10.920 -1.171 1.00 0.00 O ATOM 926 ND2 ASN A 56 4.820 -9.198 -2.099 1.00 0.00 N ATOM 0 H ASN A 56 2.053 -8.878 0.590 1.00 0.00 H new ATOM 0 HA ASN A 56 3.739 -10.986 1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.220 -8.157 0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.538 -9.268 0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.722 -9.566 -3.045 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.334 -8.332 -1.940 1.00 0.00 H new ATOM 933 N LYS A 57 3.725 -8.155 3.129 1.00 0.00 N ATOM 934 CA LYS A 57 4.138 -7.474 4.337 1.00 0.00 C ATOM 935 C LYS A 57 3.368 -7.919 5.550 1.00 0.00 C ATOM 936 O LYS A 57 3.675 -7.499 6.664 1.00 0.00 O ATOM 937 CB LYS A 57 3.997 -5.937 4.201 1.00 0.00 C ATOM 938 CG LYS A 57 4.977 -5.314 3.187 1.00 0.00 C ATOM 939 CD LYS A 57 6.459 -5.647 3.419 1.00 0.00 C ATOM 940 CE LYS A 57 7.038 -5.038 4.702 1.00 0.00 C ATOM 941 NZ LYS A 57 8.475 -5.363 4.843 1.00 0.00 N ATOM 0 H LYS A 57 3.075 -7.605 2.567 1.00 0.00 H new ATOM 0 HA LYS A 57 5.186 -7.740 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.977 -5.699 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.157 -5.478 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.699 -5.646 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.857 -4.231 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.577 -6.730 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.039 -5.293 2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.906 -3.956 4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.490 -5.414 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.842 -4.939 5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.595 -6.395 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.998 -4.983 4.029 1.00 0.00 H new ATOM 955 N ARG A 58 2.385 -8.824 5.358 1.00 0.00 N ATOM 956 CA ARG A 58 1.657 -9.472 6.429 1.00 0.00 C ATOM 957 C ARG A 58 2.445 -10.653 6.928 1.00 0.00 C ATOM 958 O ARG A 58 2.227 -11.121 8.045 1.00 0.00 O ATOM 959 CB ARG A 58 0.240 -9.945 6.031 1.00 0.00 C ATOM 960 CG ARG A 58 -0.790 -8.805 6.065 1.00 0.00 C ATOM 961 CD ARG A 58 -2.198 -9.263 5.668 1.00 0.00 C ATOM 962 NE ARG A 58 -3.128 -8.089 5.768 1.00 0.00 N ATOM 963 CZ ARG A 58 -4.488 -8.226 5.711 1.00 0.00 C ATOM 964 NH1 ARG A 58 -5.066 -9.443 5.501 1.00 0.00 N ATOM 965 NH2 ARG A 58 -5.280 -7.125 5.871 1.00 0.00 N ATOM 0 H ARG A 58 2.082 -9.119 4.430 1.00 0.00 H new ATOM 0 HA ARG A 58 1.529 -8.720 7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.271 -10.373 5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.078 -10.739 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.821 -8.379 7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.468 -8.011 5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.195 -9.658 4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.533 -10.068 6.322 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.732 -7.156 5.883 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.482 -10.271 5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.082 -9.525 5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.856 -6.211 6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.295 -7.217 5.830 1.00 0.00 H new ATOM 979 N ALA A 59 3.416 -11.136 6.119 1.00 0.00 N ATOM 980 CA ALA A 59 4.356 -12.148 6.526 1.00 0.00 C ATOM 981 C ALA A 59 5.493 -11.485 7.260 1.00 0.00 C ATOM 982 O ALA A 59 6.029 -12.049 8.211 1.00 0.00 O ATOM 983 CB ALA A 59 4.934 -12.930 5.330 1.00 0.00 C ATOM 0 H ALA A 59 3.551 -10.816 5.160 1.00 0.00 H new ATOM 0 HA ALA A 59 3.825 -12.856 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.637 -13.680 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.124 -13.421 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.450 -12.242 4.661 1.00 0.00 H new ATOM 989 N LYS A 60 5.874 -10.257 6.828 1.00 0.00 N ATOM 990 CA LYS A 60 7.001 -9.508 7.337 1.00 0.00 C ATOM 991 C LYS A 60 6.647 -8.681 8.554 1.00 0.00 C ATOM 992 O LYS A 60 7.221 -7.610 8.759 1.00 0.00 O ATOM 993 CB LYS A 60 7.572 -8.544 6.266 1.00 0.00 C ATOM 994 CG LYS A 60 7.993 -9.226 4.952 1.00 0.00 C ATOM 995 CD LYS A 60 9.165 -10.203 5.119 1.00 0.00 C ATOM 996 CE LYS A 60 9.524 -10.939 3.823 1.00 0.00 C ATOM 997 NZ LYS A 60 10.626 -11.902 4.051 1.00 0.00 N ATOM 0 H LYS A 60 5.374 -9.763 6.089 1.00 0.00 H new ATOM 0 HA LYS A 60 7.744 -10.257 7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.823 -7.785 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.435 -8.026 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.138 -9.763 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.269 -8.461 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.039 -9.656 5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.914 -10.934 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.648 -11.465 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.817 -10.218 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.852 -12.388 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.467 -11.393 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.334 -12.602 4.763 1.00 0.00 H new ATOM 1011 N ILE A 61 5.708 -9.155 9.411 1.00 0.00 N ATOM 1012 CA ILE A 61 5.345 -8.479 10.637 1.00 0.00 C ATOM 1013 C ILE A 61 6.285 -8.971 11.701 1.00 0.00 C ATOM 1014 O ILE A 61 7.264 -8.306 12.039 1.00 0.00 O ATOM 1015 CB ILE A 61 3.883 -8.663 11.049 1.00 0.00 C ATOM 1016 CG1 ILE A 61 2.943 -8.224 9.900 1.00 0.00 C ATOM 1017 CG2 ILE A 61 3.603 -7.845 12.335 1.00 0.00 C ATOM 1018 CD1 ILE A 61 1.465 -8.515 10.177 1.00 0.00 C ATOM 0 H ILE A 61 5.192 -10.020 9.252 1.00 0.00 H new ATOM 0 HA ILE A 61 5.438 -7.404 10.485 1.00 0.00 H new ATOM 0 HB ILE A 61 3.693 -9.717 11.254 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.069 -7.155 9.726 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.240 -8.733 8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.562 -7.975 12.630 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.253 -8.194 13.137 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.797 -6.789 12.144 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.864 -8.182 9.331 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.326 -9.586 10.321 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.152 -7.984 11.076 1.00 0.00 H new ATOM 1030 N LYS A 62 5.987 -10.167 12.245 1.00 0.00 N ATOM 1031 CA LYS A 62 6.697 -10.766 13.345 1.00 0.00 C ATOM 1032 C LYS A 62 7.837 -11.569 12.794 1.00 0.00 C ATOM 1033 O LYS A 62 8.949 -11.520 13.313 1.00 0.00 O ATOM 1034 CB LYS A 62 5.798 -11.728 14.161 1.00 0.00 C ATOM 1035 CG LYS A 62 4.550 -11.068 14.775 1.00 0.00 C ATOM 1036 CD LYS A 62 4.861 -9.966 15.800 1.00 0.00 C ATOM 1037 CE LYS A 62 3.622 -9.447 16.548 1.00 0.00 C ATOM 1038 NZ LYS A 62 2.649 -8.823 15.622 1.00 0.00 N ATOM 0 H LYS A 62 5.218 -10.745 11.906 1.00 0.00 H new ATOM 0 HA LYS A 62 7.036 -9.964 14.000 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.480 -12.545 13.513 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.392 -12.169 14.962 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.946 -10.643 13.973 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.946 -11.837 15.257 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.578 -10.350 16.526 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.341 -9.132 15.288 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.144 -10.271 17.078 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.928 -8.720 17.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.826 -8.484 16.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.098 -8.021 15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.339 -9.525 14.920 1.00 0.00 H new ATOM 1052 N LYS A 63 7.549 -12.340 11.721 1.00 0.00 N ATOM 1053 CA LYS A 63 8.451 -13.317 11.163 1.00 0.00 C ATOM 1054 C LYS A 63 8.926 -12.812 9.831 1.00 0.00 C ATOM 1055 O LYS A 63 8.703 -11.655 9.482 1.00 0.00 O ATOM 1056 CB LYS A 63 7.835 -14.742 11.049 1.00 0.00 C ATOM 1057 CG LYS A 63 6.651 -14.956 10.078 1.00 0.00 C ATOM 1058 CD LYS A 63 5.301 -14.364 10.516 1.00 0.00 C ATOM 1059 CE LYS A 63 4.147 -14.799 9.603 1.00 0.00 C ATOM 1060 NZ LYS A 63 2.887 -14.114 9.974 1.00 0.00 N ATOM 0 H LYS A 63 6.660 -12.283 11.224 1.00 0.00 H new ATOM 0 HA LYS A 63 9.292 -13.434 11.847 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.632 -15.426 10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.507 -15.042 12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.917 -14.526 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.522 -16.027 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.087 -14.673 11.539 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.368 -13.276 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.395 -14.574 8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.012 -15.878 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.123 -14.426 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.640 -14.349 10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.012 -13.085 9.885 1.00 0.00 H new ATOM 1074 N ALA A 64 9.620 -13.686 9.062 1.00 0.00 N ATOM 1075 CA ALA A 64 10.063 -13.414 7.719 1.00 0.00 C ATOM 1076 C ALA A 64 9.003 -13.963 6.810 1.00 0.00 C ATOM 1077 O ALA A 64 8.125 -13.228 6.363 1.00 0.00 O ATOM 1078 CB ALA A 64 11.427 -14.062 7.405 1.00 0.00 C ATOM 0 H ALA A 64 9.882 -14.616 9.389 1.00 0.00 H new ATOM 0 HA ALA A 64 10.206 -12.342 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.715 -13.826 6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 64 12.180 -13.675 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.351 -15.143 7.521 1.00 0.00 H new ATOM 1084 N THR A 65 9.049 -15.286 6.539 1.00 0.00 N ATOM 1085 CA THR A 65 8.045 -15.988 5.780 1.00 0.00 C ATOM 1086 C THR A 65 7.431 -16.969 6.748 1.00 0.00 C ATOM 1087 O THR A 65 6.212 -17.124 6.786 1.00 0.00 O ATOM 1088 CB THR A 65 8.588 -16.616 4.494 1.00 0.00 C ATOM 1089 OG1 THR A 65 7.552 -17.234 3.737 1.00 0.00 O ATOM 1090 CG2 THR A 65 9.734 -17.623 4.745 1.00 0.00 C ATOM 0 H THR A 65 9.808 -15.888 6.857 1.00 0.00 H new ATOM 0 HA THR A 65 7.284 -15.311 5.392 1.00 0.00 H new ATOM 0 HB THR A 65 9.005 -15.790 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.931 -17.624 2.922 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.074 -18.032 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.563 -17.115 5.239 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.374 -18.433 5.380 1.00 0.00 H new ATOM 1098 N GLN A 66 8.277 -17.625 7.577 1.00 0.00 N ATOM 1099 CA GLN A 66 7.848 -18.511 8.625 1.00 0.00 C ATOM 1100 C GLN A 66 8.732 -18.212 9.797 1.00 0.00 C ATOM 1101 O GLN A 66 9.752 -17.535 9.666 1.00 0.00 O ATOM 1102 CB GLN A 66 7.961 -20.010 8.251 1.00 0.00 C ATOM 1103 CG GLN A 66 9.381 -20.473 7.873 1.00 0.00 C ATOM 1104 CD GLN A 66 9.329 -21.948 7.459 1.00 0.00 C ATOM 1105 OE1 GLN A 66 9.198 -22.834 8.312 1.00 0.00 O ATOM 1106 NE2 GLN A 66 9.433 -22.204 6.119 1.00 0.00 N ATOM 0 H GLN A 66 9.291 -17.535 7.515 1.00 0.00 H new ATOM 0 HA GLN A 66 6.791 -18.344 8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.610 -20.608 9.092 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.292 -20.213 7.415 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.770 -19.866 7.056 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.057 -20.342 8.718 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.540 -21.433 5.459 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.404 -23.165 5.780 1.00 0.00 H new ATOM 1115 N ALA A 67 8.337 -18.713 10.990 1.00 0.00 N ATOM 1116 CA ALA A 67 9.073 -18.518 12.212 1.00 0.00 C ATOM 1117 C ALA A 67 10.207 -19.552 12.269 1.00 0.00 C ATOM 1118 O ALA A 67 11.392 -19.125 12.325 1.00 0.00 O ATOM 1119 CB ALA A 67 8.192 -18.686 13.463 1.00 0.00 C ATOM 1120 OXT ALA A 67 9.903 -20.774 12.254 1.00 0.00 O ATOM 0 H ALA A 67 7.488 -19.266 11.108 1.00 0.00 H new ATOM 0 HA ALA A 67 9.457 -17.498 12.211 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.796 -18.529 14.357 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.383 -17.956 13.439 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.773 -19.692 13.481 1.00 0.00 H new TER 1126 ALA A 67