USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 581 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 1 GLY N :NH3+ -120:sc= 0.0828 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.25) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.149) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 67:sc= 1.2 USER MOD Single : A 37 THR OG1 : rot -6:sc= 0.525 USER MOD Single : A 45 LYS NZ :NH3+ 166:sc=-0.00743 (180deg=-0.136) USER MOD Single : A 56 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.12) USER MOD Single : A 60 THR OG1 : rot -19:sc= 1 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.235 1.326 17.212 1.00 15.23 N ATOM 2 CA GLY A 1 -15.272 1.040 16.239 1.00 73.34 C ATOM 3 C GLY A 1 -15.123 -0.337 15.621 1.00 44.51 C ATOM 4 O GLY A 1 -14.207 -1.092 15.949 1.00 22.35 O ATOM 0 H1 GLY A 1 -14.670 1.508 18.139 1.00 15.23 H new ATOM 0 H2 GLY A 1 -13.593 0.511 17.284 1.00 15.23 H new ATOM 0 H3 GLY A 1 -13.698 2.164 16.911 1.00 15.23 H new ATOM 0 HA2 GLY A 1 -16.248 1.116 16.719 1.00 73.34 H new ATOM 0 HA3 GLY A 1 -15.245 1.793 15.452 1.00 73.34 H new ATOM 8 N PRO A 2 -16.039 -0.681 14.705 1.00 21.41 N ATOM 9 CA PRO A 2 -16.027 -1.979 14.021 1.00 10.34 C ATOM 10 C PRO A 2 -14.861 -2.110 13.048 1.00 13.21 C ATOM 11 O PRO A 2 -14.001 -1.231 12.970 1.00 23.44 O ATOM 12 CB PRO A 2 -17.359 -1.995 13.267 1.00 44.51 C ATOM 13 CG PRO A 2 -17.696 -0.558 13.062 1.00 43.43 C ATOM 14 CD PRO A 2 -17.158 0.169 14.264 1.00 23.12 C ATOM 0 HA PRO A 2 -15.908 -2.807 14.719 1.00 10.34 H new ATOM 0 HB2 PRO A 2 -17.269 -2.520 12.316 1.00 44.51 H new ATOM 0 HB3 PRO A 2 -18.133 -2.505 13.841 1.00 44.51 H new ATOM 0 HG2 PRO A 2 -17.247 -0.179 12.144 1.00 43.43 H new ATOM 0 HG3 PRO A 2 -18.773 -0.419 12.972 1.00 43.43 H new ATOM 0 HD2 PRO A 2 -16.823 1.174 14.009 1.00 23.12 H new ATOM 0 HD3 PRO A 2 -17.914 0.273 15.042 1.00 23.12 H new ATOM 22 N LEU A 3 -14.837 -3.211 12.305 1.00 31.05 N ATOM 23 CA LEU A 3 -13.776 -3.457 11.335 1.00 33.12 C ATOM 24 C LEU A 3 -12.406 -3.416 12.004 1.00 21.20 C ATOM 25 O LEU A 3 -11.450 -2.873 11.451 1.00 60.10 O ATOM 26 CB LEU A 3 -13.838 -2.424 10.209 1.00 14.32 C ATOM 27 CG LEU A 3 -15.190 -2.272 9.511 1.00 41.43 C ATOM 28 CD1 LEU A 3 -15.594 -0.807 9.442 1.00 25.34 C ATOM 29 CD2 LEU A 3 -15.141 -2.879 8.116 1.00 71.02 C ATOM 0 H LEU A 3 -15.541 -3.948 12.356 1.00 31.05 H new ATOM 0 HA LEU A 3 -13.925 -4.452 10.915 1.00 33.12 H new ATOM 0 HB2 LEU A 3 -13.551 -1.455 10.616 1.00 14.32 H new ATOM 0 HB3 LEU A 3 -13.092 -2.688 9.459 1.00 14.32 H new ATOM 0 HG LEU A 3 -15.940 -2.808 10.093 1.00 41.43 H new ATOM 0 HD11 LEU A 3 -16.559 -0.719 8.942 1.00 25.34 H new ATOM 0 HD12 LEU A 3 -15.670 -0.403 10.451 1.00 25.34 H new ATOM 0 HD13 LEU A 3 -14.843 -0.248 8.883 1.00 25.34 H new ATOM 0 HD21 LEU A 3 -16.112 -2.762 7.634 1.00 71.02 H new ATOM 0 HD22 LEU A 3 -14.379 -2.371 7.525 1.00 71.02 H new ATOM 0 HD23 LEU A 3 -14.898 -3.939 8.189 1.00 71.02 H new ATOM 41 N GLY A 4 -12.318 -3.996 13.197 1.00 1.25 N ATOM 42 CA GLY A 4 -11.060 -4.015 13.921 1.00 34.42 C ATOM 43 C GLY A 4 -10.143 -5.131 13.459 1.00 52.41 C ATOM 44 O GLY A 4 -10.370 -6.300 13.770 1.00 54.43 O ATOM 0 H GLY A 4 -13.095 -4.453 13.675 1.00 1.25 H new ATOM 0 HA2 GLY A 4 -10.556 -3.057 13.792 1.00 34.42 H new ATOM 0 HA3 GLY A 4 -11.259 -4.130 14.987 1.00 34.42 H new ATOM 48 N SER A 5 -9.104 -4.769 12.713 1.00 53.42 N ATOM 49 CA SER A 5 -8.153 -5.748 12.202 1.00 3.01 C ATOM 50 C SER A 5 -8.840 -6.738 11.267 1.00 34.02 C ATOM 51 O SER A 5 -10.055 -6.688 11.076 1.00 52.30 O ATOM 52 CB SER A 5 -7.489 -6.497 13.359 1.00 62.31 C ATOM 53 OG SER A 5 -6.163 -6.874 13.029 1.00 1.14 O ATOM 0 H SER A 5 -8.900 -3.805 12.449 1.00 53.42 H new ATOM 0 HA SER A 5 -7.388 -5.214 11.638 1.00 3.01 H new ATOM 0 HB2 SER A 5 -7.480 -5.866 14.248 1.00 62.31 H new ATOM 0 HB3 SER A 5 -8.072 -7.385 13.604 1.00 62.31 H new ATOM 0 HG SER A 5 -5.760 -7.349 13.785 1.00 1.14 H new ATOM 59 N VAL A 6 -8.054 -7.640 10.687 1.00 2.24 N ATOM 60 CA VAL A 6 -8.586 -8.643 9.773 1.00 5.35 C ATOM 61 C VAL A 6 -7.561 -9.740 9.504 1.00 11.54 C ATOM 62 O VAL A 6 -6.356 -9.497 9.529 1.00 5.43 O ATOM 63 CB VAL A 6 -9.010 -8.013 8.434 1.00 53.31 C ATOM 64 CG1 VAL A 6 -7.803 -7.448 7.702 1.00 2.44 C ATOM 65 CG2 VAL A 6 -9.737 -9.034 7.571 1.00 62.11 C ATOM 0 H VAL A 6 -7.046 -7.696 10.834 1.00 2.24 H new ATOM 0 HA VAL A 6 -9.462 -9.078 10.255 1.00 5.35 H new ATOM 0 HB VAL A 6 -9.696 -7.191 8.641 1.00 53.31 H new ATOM 0 HG11 VAL A 6 -8.123 -7.007 6.758 1.00 2.44 H new ATOM 0 HG12 VAL A 6 -7.329 -6.683 8.317 1.00 2.44 H new ATOM 0 HG13 VAL A 6 -7.090 -8.248 7.505 1.00 2.44 H new ATOM 0 HG21 VAL A 6 -10.029 -8.571 6.628 1.00 62.11 H new ATOM 0 HG22 VAL A 6 -9.077 -9.878 7.372 1.00 62.11 H new ATOM 0 HG23 VAL A 6 -10.626 -9.385 8.094 1.00 62.11 H new ATOM 75 N ALA A 7 -8.051 -10.948 9.247 1.00 5.23 N ATOM 76 CA ALA A 7 -7.178 -12.083 8.971 1.00 50.44 C ATOM 77 C ALA A 7 -6.218 -11.771 7.827 1.00 25.35 C ATOM 78 O ALA A 7 -6.641 -11.441 6.720 1.00 50.32 O ATOM 79 CB ALA A 7 -8.004 -13.318 8.647 1.00 52.43 C ATOM 0 H ALA A 7 -9.047 -11.166 9.224 1.00 5.23 H new ATOM 0 HA ALA A 7 -6.586 -12.280 9.865 1.00 50.44 H new ATOM 0 HB1 ALA A 7 -7.339 -14.157 8.443 1.00 52.43 H new ATOM 0 HB2 ALA A 7 -8.644 -13.560 9.495 1.00 52.43 H new ATOM 0 HB3 ALA A 7 -8.621 -13.123 7.770 1.00 52.43 H new ATOM 85 N LYS A 8 -4.923 -11.877 8.103 1.00 4.13 N ATOM 86 CA LYS A 8 -3.901 -11.608 7.098 1.00 33.05 C ATOM 87 C LYS A 8 -2.763 -12.619 7.194 1.00 12.44 C ATOM 88 O LYS A 8 -2.568 -13.253 8.232 1.00 42.13 O ATOM 89 CB LYS A 8 -3.352 -10.189 7.267 1.00 12.12 C ATOM 90 CG LYS A 8 -2.507 -10.008 8.517 1.00 73.20 C ATOM 91 CD LYS A 8 -1.872 -8.629 8.565 1.00 12.24 C ATOM 92 CE LYS A 8 -1.846 -8.076 9.982 1.00 75.12 C ATOM 93 NZ LYS A 8 -0.867 -6.963 10.126 1.00 61.35 N ATOM 0 H LYS A 8 -4.556 -12.148 9.015 1.00 4.13 H new ATOM 0 HA LYS A 8 -4.362 -11.699 6.114 1.00 33.05 H new ATOM 0 HB2 LYS A 8 -2.752 -9.934 6.393 1.00 12.12 H new ATOM 0 HB3 LYS A 8 -4.185 -9.487 7.297 1.00 12.12 H new ATOM 0 HG2 LYS A 8 -3.127 -10.155 9.401 1.00 73.20 H new ATOM 0 HG3 LYS A 8 -1.728 -10.770 8.544 1.00 73.20 H new ATOM 0 HD2 LYS A 8 -0.855 -8.682 8.175 1.00 12.24 H new ATOM 0 HD3 LYS A 8 -2.427 -7.949 7.918 1.00 12.24 H new ATOM 0 HE2 LYS A 8 -2.841 -7.722 10.252 1.00 75.12 H new ATOM 0 HE3 LYS A 8 -1.593 -8.875 10.679 1.00 75.12 H new ATOM 0 HZ1 LYS A 8 -0.880 -6.614 11.106 1.00 61.35 H new ATOM 0 HZ2 LYS A 8 0.086 -7.307 9.893 1.00 61.35 H new ATOM 0 HZ3 LYS A 8 -1.123 -6.190 9.480 1.00 61.35 H new ATOM 107 N LYS A 9 -2.014 -12.764 6.107 1.00 5.24 N ATOM 108 CA LYS A 9 -0.892 -13.696 6.068 1.00 11.32 C ATOM 109 C LYS A 9 0.374 -13.004 5.576 1.00 13.53 C ATOM 110 O LYS A 9 1.275 -13.647 5.037 1.00 13.31 O ATOM 111 CB LYS A 9 -1.222 -14.885 5.163 1.00 12.23 C ATOM 112 CG LYS A 9 -1.061 -16.232 5.845 1.00 24.22 C ATOM 113 CD LYS A 9 0.107 -17.014 5.267 1.00 43.21 C ATOM 114 CE LYS A 9 0.944 -17.657 6.362 1.00 45.12 C ATOM 115 NZ LYS A 9 1.846 -18.713 5.823 1.00 51.22 N ATOM 0 H LYS A 9 -2.163 -12.248 5.240 1.00 5.24 H new ATOM 0 HA LYS A 9 -0.716 -14.057 7.081 1.00 11.32 H new ATOM 0 HB2 LYS A 9 -2.248 -14.787 4.809 1.00 12.23 H new ATOM 0 HB3 LYS A 9 -0.577 -14.852 4.285 1.00 12.23 H new ATOM 0 HG2 LYS A 9 -0.907 -16.084 6.914 1.00 24.22 H new ATOM 0 HG3 LYS A 9 -1.978 -16.810 5.732 1.00 24.22 H new ATOM 0 HD2 LYS A 9 -0.268 -17.785 4.594 1.00 43.21 H new ATOM 0 HD3 LYS A 9 0.733 -16.349 4.672 1.00 43.21 H new ATOM 0 HE2 LYS A 9 1.538 -16.892 6.861 1.00 45.12 H new ATOM 0 HE3 LYS A 9 0.286 -18.091 7.115 1.00 45.12 H new ATOM 0 HZ1 LYS A 9 2.399 -19.127 6.600 1.00 51.22 H new ATOM 0 HZ2 LYS A 9 1.278 -19.456 5.369 1.00 51.22 H new ATOM 0 HZ3 LYS A 9 2.491 -18.294 5.123 1.00 51.22 H new ATOM 129 N ILE A 10 0.437 -11.690 5.765 1.00 55.23 N ATOM 130 CA ILE A 10 1.593 -10.911 5.341 1.00 4.03 C ATOM 131 C ILE A 10 2.012 -9.918 6.420 1.00 41.45 C ATOM 132 O ILE A 10 1.296 -8.957 6.707 1.00 62.44 O ATOM 133 CB ILE A 10 1.311 -10.145 4.035 1.00 32.55 C ATOM 134 CG1 ILE A 10 0.925 -11.120 2.921 1.00 72.35 C ATOM 135 CG2 ILE A 10 2.524 -9.322 3.630 1.00 13.12 C ATOM 136 CD1 ILE A 10 -0.458 -10.879 2.358 1.00 34.32 C ATOM 0 H ILE A 10 -0.300 -11.143 6.209 1.00 55.23 H new ATOM 0 HA ILE A 10 2.403 -11.619 5.167 1.00 4.03 H new ATOM 0 HB ILE A 10 0.476 -9.465 4.203 1.00 32.55 H new ATOM 0 HG12 ILE A 10 1.655 -11.045 2.115 1.00 72.35 H new ATOM 0 HG13 ILE A 10 0.979 -12.138 3.306 1.00 72.35 H new ATOM 0 HG21 ILE A 10 2.308 -8.787 2.705 1.00 13.12 H new ATOM 0 HG22 ILE A 10 2.757 -8.606 4.418 1.00 13.12 H new ATOM 0 HG23 ILE A 10 3.377 -9.983 3.476 1.00 13.12 H new ATOM 0 HD11 ILE A 10 -0.663 -11.607 1.573 1.00 34.32 H new ATOM 0 HD12 ILE A 10 -1.197 -10.983 3.152 1.00 34.32 H new ATOM 0 HD13 ILE A 10 -0.511 -9.873 1.942 1.00 34.32 H new ATOM 148 N THR A 11 3.178 -10.153 7.013 1.00 1.41 N ATOM 149 CA THR A 11 3.694 -9.278 8.059 1.00 61.21 C ATOM 150 C THR A 11 4.438 -8.089 7.464 1.00 44.41 C ATOM 151 O THR A 11 5.553 -8.231 6.962 1.00 1.31 O ATOM 152 CB THR A 11 4.638 -10.037 9.010 1.00 43.22 C ATOM 153 OG1 THR A 11 4.021 -11.253 9.448 1.00 41.43 O ATOM 154 CG2 THR A 11 4.994 -9.181 10.216 1.00 11.11 C ATOM 0 H THR A 11 3.783 -10.942 6.787 1.00 1.41 H new ATOM 0 HA THR A 11 2.834 -8.918 8.623 1.00 61.21 H new ATOM 0 HB THR A 11 5.553 -10.270 8.466 1.00 43.22 H new ATOM 0 HG1 THR A 11 4.629 -11.730 10.051 1.00 41.43 H new ATOM 0 HG21 THR A 11 5.662 -9.738 10.873 1.00 11.11 H new ATOM 0 HG22 THR A 11 5.491 -8.270 9.882 1.00 11.11 H new ATOM 0 HG23 THR A 11 4.085 -8.920 10.758 1.00 11.11 H new ATOM 162 N TRP A 12 3.815 -6.918 7.525 1.00 55.15 N ATOM 163 CA TRP A 12 4.420 -5.702 6.992 1.00 52.15 C ATOM 164 C TRP A 12 5.520 -5.191 7.915 1.00 24.25 C ATOM 165 O TRP A 12 5.248 -4.732 9.025 1.00 51.20 O ATOM 166 CB TRP A 12 3.356 -4.621 6.798 1.00 4.11 C ATOM 167 CG TRP A 12 2.200 -5.068 5.955 1.00 40.33 C ATOM 168 CD1 TRP A 12 1.187 -5.904 6.330 1.00 44.12 C ATOM 169 CD2 TRP A 12 1.941 -4.705 4.594 1.00 12.45 C ATOM 170 NE1 TRP A 12 0.314 -6.081 5.285 1.00 62.52 N ATOM 171 CE2 TRP A 12 0.753 -5.356 4.209 1.00 62.24 C ATOM 172 CE3 TRP A 12 2.595 -3.892 3.666 1.00 54.21 C ATOM 173 CZ2 TRP A 12 0.210 -5.219 2.934 1.00 13.04 C ATOM 174 CZ3 TRP A 12 2.054 -3.756 2.401 1.00 51.13 C ATOM 175 CH2 TRP A 12 0.870 -4.417 2.045 1.00 44.12 C ATOM 0 H TRP A 12 2.892 -6.784 7.938 1.00 55.15 H new ATOM 0 HA TRP A 12 4.865 -5.941 6.026 1.00 52.15 H new ATOM 0 HB2 TRP A 12 2.985 -4.308 7.774 1.00 4.11 H new ATOM 0 HB3 TRP A 12 3.816 -3.747 6.337 1.00 4.11 H new ATOM 0 HD1 TRP A 12 1.087 -6.359 7.305 1.00 44.12 H new ATOM 0 HE1 TRP A 12 -0.526 -6.659 5.307 1.00 62.52 H new ATOM 0 HE3 TRP A 12 3.507 -3.379 3.932 1.00 54.21 H new ATOM 0 HZ2 TRP A 12 -0.701 -5.729 2.657 1.00 13.04 H new ATOM 0 HZ3 TRP A 12 2.552 -3.130 1.675 1.00 51.13 H new ATOM 0 HH2 TRP A 12 0.472 -4.290 1.049 1.00 44.12 H new ATOM 186 N ARG A 13 6.763 -5.273 7.451 1.00 31.54 N ATOM 187 CA ARG A 13 7.904 -4.820 8.238 1.00 55.22 C ATOM 188 C ARG A 13 8.350 -3.430 7.795 1.00 0.41 C ATOM 189 O ARG A 13 7.795 -2.856 6.858 1.00 15.12 O ATOM 190 CB ARG A 13 9.065 -5.807 8.106 1.00 24.03 C ATOM 191 CG ARG A 13 8.788 -7.162 8.736 1.00 0.23 C ATOM 192 CD ARG A 13 10.044 -8.017 8.794 1.00 15.12 C ATOM 193 NE ARG A 13 9.744 -9.440 8.659 1.00 14.21 N ATOM 194 CZ ARG A 13 9.297 -10.195 9.656 1.00 73.53 C ATOM 195 NH1 ARG A 13 9.099 -9.666 10.855 1.00 75.20 N ATOM 196 NH2 ARG A 13 9.047 -11.483 9.453 1.00 11.55 N ATOM 0 H ARG A 13 7.005 -5.649 6.534 1.00 31.54 H new ATOM 0 HA ARG A 13 7.597 -4.769 9.283 1.00 55.22 H new ATOM 0 HB2 ARG A 13 9.293 -5.947 7.049 1.00 24.03 H new ATOM 0 HB3 ARG A 13 9.952 -5.375 8.569 1.00 24.03 H new ATOM 0 HG2 ARG A 13 8.395 -7.023 9.743 1.00 0.23 H new ATOM 0 HG3 ARG A 13 8.020 -7.681 8.163 1.00 0.23 H new ATOM 0 HD2 ARG A 13 10.726 -7.713 8.000 1.00 15.12 H new ATOM 0 HD3 ARG A 13 10.558 -7.843 9.739 1.00 15.12 H new ATOM 0 HE ARG A 13 9.886 -9.878 7.749 1.00 14.21 H new ATOM 0 HH11 ARG A 13 9.290 -8.677 11.014 1.00 75.20 H new ATOM 0 HH12 ARG A 13 8.756 -10.248 11.619 1.00 75.20 H new ATOM 0 HH21 ARG A 13 9.198 -11.893 8.531 1.00 11.55 H new ATOM 0 HH22 ARG A 13 8.704 -12.063 10.219 1.00 11.55 H new ATOM 210 N LYS A 14 9.357 -2.893 8.476 1.00 60.42 N ATOM 211 CA LYS A 14 9.881 -1.571 8.154 1.00 11.42 C ATOM 212 C LYS A 14 10.420 -1.531 6.728 1.00 20.52 C ATOM 213 O LYS A 14 10.387 -0.491 6.072 1.00 75.15 O ATOM 214 CB LYS A 14 10.985 -1.183 9.139 1.00 63.51 C ATOM 215 CG LYS A 14 12.166 -2.140 9.137 1.00 41.21 C ATOM 216 CD LYS A 14 12.737 -2.324 10.533 1.00 73.04 C ATOM 217 CE LYS A 14 13.769 -1.255 10.858 1.00 64.21 C ATOM 218 NZ LYS A 14 13.648 -0.777 12.264 1.00 53.25 N ATOM 0 H LYS A 14 9.827 -3.354 9.255 1.00 60.42 H new ATOM 0 HA LYS A 14 9.063 -0.855 8.234 1.00 11.42 H new ATOM 0 HB2 LYS A 14 11.340 -0.181 8.898 1.00 63.51 H new ATOM 0 HB3 LYS A 14 10.565 -1.139 10.144 1.00 63.51 H new ATOM 0 HG2 LYS A 14 11.852 -3.106 8.741 1.00 41.21 H new ATOM 0 HG3 LYS A 14 12.942 -1.760 8.473 1.00 41.21 H new ATOM 0 HD2 LYS A 14 11.930 -2.287 11.265 1.00 73.04 H new ATOM 0 HD3 LYS A 14 13.195 -3.310 10.613 1.00 73.04 H new ATOM 0 HE2 LYS A 14 14.770 -1.655 10.695 1.00 64.21 H new ATOM 0 HE3 LYS A 14 13.647 -0.413 10.176 1.00 64.21 H new ATOM 0 HZ1 LYS A 14 14.368 -0.049 12.447 1.00 53.25 H new ATOM 0 HZ2 LYS A 14 12.702 -0.372 12.413 1.00 53.25 H new ATOM 0 HZ3 LYS A 14 13.790 -1.575 12.915 1.00 53.25 H new ATOM 232 N GLN A 15 10.915 -2.671 6.255 1.00 23.14 N ATOM 233 CA GLN A 15 11.461 -2.766 4.906 1.00 12.53 C ATOM 234 C GLN A 15 10.378 -2.515 3.862 1.00 13.14 C ATOM 235 O GLN A 15 10.476 -1.583 3.064 1.00 71.24 O ATOM 236 CB GLN A 15 12.091 -4.142 4.684 1.00 11.43 C ATOM 237 CG GLN A 15 13.325 -4.108 3.797 1.00 24.51 C ATOM 238 CD GLN A 15 14.449 -3.280 4.391 1.00 74.33 C ATOM 239 OE1 GLN A 15 15.053 -3.661 5.394 1.00 54.23 O ATOM 240 NE2 GLN A 15 14.734 -2.140 3.772 1.00 30.10 N ATOM 0 H GLN A 15 10.949 -3.541 6.786 1.00 23.14 H new ATOM 0 HA GLN A 15 12.229 -2.001 4.797 1.00 12.53 H new ATOM 0 HB2 GLN A 15 12.359 -4.570 5.650 1.00 11.43 H new ATOM 0 HB3 GLN A 15 11.350 -4.804 4.237 1.00 11.43 H new ATOM 0 HG2 GLN A 15 13.677 -5.126 3.632 1.00 24.51 H new ATOM 0 HG3 GLN A 15 13.056 -3.702 2.822 1.00 24.51 H new ATOM 0 HE21 GLN A 15 14.207 -1.864 2.943 1.00 30.10 H new ATOM 0 HE22 GLN A 15 15.480 -1.541 4.125 1.00 30.10 H new ATOM 249 N ASP A 16 9.346 -3.351 3.875 1.00 52.21 N ATOM 250 CA ASP A 16 8.243 -3.220 2.930 1.00 53.33 C ATOM 251 C ASP A 16 7.530 -1.884 3.110 1.00 52.12 C ATOM 252 O ASP A 16 7.004 -1.314 2.152 1.00 43.40 O ATOM 253 CB ASP A 16 7.251 -4.370 3.107 1.00 4.51 C ATOM 254 CG ASP A 16 7.388 -5.424 2.026 1.00 71.52 C ATOM 255 OD1 ASP A 16 7.146 -5.099 0.845 1.00 12.41 O ATOM 256 OD2 ASP A 16 7.738 -6.575 2.361 1.00 10.33 O ATOM 0 H ASP A 16 9.250 -4.127 4.530 1.00 52.21 H new ATOM 0 HA ASP A 16 8.655 -3.259 1.922 1.00 53.33 H new ATOM 0 HB2 ASP A 16 7.405 -4.832 4.082 1.00 4.51 H new ATOM 0 HB3 ASP A 16 6.235 -3.975 3.098 1.00 4.51 H new ATOM 261 N LEU A 17 7.512 -1.389 4.342 1.00 24.35 N ATOM 262 CA LEU A 17 6.862 -0.120 4.650 1.00 60.23 C ATOM 263 C LEU A 17 7.538 1.031 3.911 1.00 32.12 C ATOM 264 O LEU A 17 6.873 1.850 3.275 1.00 24.53 O ATOM 265 CB LEU A 17 6.890 0.139 6.157 1.00 44.20 C ATOM 266 CG LEU A 17 5.585 -0.125 6.908 1.00 70.44 C ATOM 267 CD1 LEU A 17 5.142 -1.568 6.717 1.00 53.41 C ATOM 268 CD2 LEU A 17 5.746 0.194 8.387 1.00 64.13 C ATOM 0 H LEU A 17 7.941 -1.848 5.146 1.00 24.35 H new ATOM 0 HA LEU A 17 5.825 -0.181 4.319 1.00 60.23 H new ATOM 0 HB2 LEU A 17 7.671 -0.481 6.597 1.00 44.20 H new ATOM 0 HB3 LEU A 17 7.177 1.178 6.322 1.00 44.20 H new ATOM 0 HG LEU A 17 4.814 0.528 6.498 1.00 70.44 H new ATOM 0 HD11 LEU A 17 4.211 -1.738 7.259 1.00 53.41 H new ATOM 0 HD12 LEU A 17 4.985 -1.763 5.656 1.00 53.41 H new ATOM 0 HD13 LEU A 17 5.912 -2.239 7.099 1.00 53.41 H new ATOM 0 HD21 LEU A 17 4.807 0.000 8.905 1.00 64.13 H new ATOM 0 HD22 LEU A 17 6.531 -0.433 8.811 1.00 64.13 H new ATOM 0 HD23 LEU A 17 6.016 1.243 8.506 1.00 64.13 H new ATOM 280 N ASP A 18 8.862 1.085 3.998 1.00 40.50 N ATOM 281 CA ASP A 18 9.630 2.134 3.336 1.00 13.11 C ATOM 282 C ASP A 18 9.310 2.182 1.845 1.00 63.33 C ATOM 283 O ASP A 18 9.199 3.257 1.257 1.00 4.33 O ATOM 284 CB ASP A 18 11.128 1.908 3.543 1.00 73.43 C ATOM 285 CG ASP A 18 11.915 3.203 3.544 1.00 32.51 C ATOM 286 OD1 ASP A 18 11.471 4.165 4.205 1.00 65.11 O ATOM 287 OD2 ASP A 18 12.973 3.256 2.883 1.00 61.44 O ATOM 0 H ASP A 18 9.426 0.415 4.520 1.00 40.50 H new ATOM 0 HA ASP A 18 9.351 3.090 3.780 1.00 13.11 H new ATOM 0 HB2 ASP A 18 11.287 1.389 4.488 1.00 73.43 H new ATOM 0 HB3 ASP A 18 11.506 1.257 2.755 1.00 73.43 H new ATOM 292 N ARG A 19 9.164 1.008 1.239 1.00 64.12 N ATOM 293 CA ARG A 19 8.860 0.915 -0.185 1.00 4.23 C ATOM 294 C ARG A 19 7.442 1.401 -0.470 1.00 1.11 C ATOM 295 O ARG A 19 7.231 2.266 -1.322 1.00 34.23 O ATOM 296 CB ARG A 19 9.024 -0.525 -0.671 1.00 24.42 C ATOM 297 CG ARG A 19 9.140 -0.650 -2.180 1.00 71.24 C ATOM 298 CD ARG A 19 9.389 -2.090 -2.604 1.00 53.43 C ATOM 299 NE ARG A 19 9.160 -2.287 -4.033 1.00 33.22 N ATOM 300 CZ ARG A 19 10.048 -1.976 -4.970 1.00 42.20 C ATOM 301 NH1 ARG A 19 11.220 -1.456 -4.630 1.00 55.31 N ATOM 302 NH2 ARG A 19 9.766 -2.186 -6.249 1.00 44.14 N ATOM 0 H ARG A 19 9.251 0.108 1.711 1.00 64.12 H new ATOM 0 HA ARG A 19 9.560 1.554 -0.723 1.00 4.23 H new ATOM 0 HB2 ARG A 19 9.913 -0.956 -0.210 1.00 24.42 H new ATOM 0 HB3 ARG A 19 8.172 -1.113 -0.331 1.00 24.42 H new ATOM 0 HG2 ARG A 19 8.225 -0.285 -2.647 1.00 71.24 H new ATOM 0 HG3 ARG A 19 9.954 -0.019 -2.537 1.00 71.24 H new ATOM 0 HD2 ARG A 19 10.414 -2.368 -2.359 1.00 53.43 H new ATOM 0 HD3 ARG A 19 8.735 -2.753 -2.037 1.00 53.43 H new ATOM 0 HE ARG A 19 8.268 -2.686 -4.328 1.00 33.22 H new ATOM 0 HH11 ARG A 19 11.440 -1.294 -3.647 1.00 55.31 H new ATOM 0 HH12 ARG A 19 11.901 -1.218 -5.351 1.00 55.31 H new ATOM 0 HH21 ARG A 19 8.866 -2.587 -6.514 1.00 44.14 H new ATOM 0 HH22 ARG A 19 10.449 -1.947 -6.968 1.00 44.14 H new ATOM 316 N LEU A 20 6.475 0.840 0.246 1.00 14.13 N ATOM 317 CA LEU A 20 5.076 1.216 0.070 1.00 24.54 C ATOM 318 C LEU A 20 4.894 2.723 0.220 1.00 73.30 C ATOM 319 O LEU A 20 4.099 3.337 -0.491 1.00 51.24 O ATOM 320 CB LEU A 20 4.198 0.481 1.084 1.00 4.24 C ATOM 321 CG LEU A 20 2.702 0.788 1.025 1.00 51.41 C ATOM 322 CD1 LEU A 20 2.105 0.282 -0.279 1.00 23.31 C ATOM 323 CD2 LEU A 20 1.983 0.173 2.217 1.00 15.50 C ATOM 0 H LEU A 20 6.633 0.123 0.954 1.00 14.13 H new ATOM 0 HA LEU A 20 4.773 0.931 -0.937 1.00 24.54 H new ATOM 0 HB2 LEU A 20 4.334 -0.591 0.942 1.00 4.24 H new ATOM 0 HB3 LEU A 20 4.558 0.718 2.085 1.00 4.24 H new ATOM 0 HG LEU A 20 2.571 1.869 1.066 1.00 51.41 H new ATOM 0 HD11 LEU A 20 1.039 0.509 -0.304 1.00 23.31 H new ATOM 0 HD12 LEU A 20 2.600 0.770 -1.119 1.00 23.31 H new ATOM 0 HD13 LEU A 20 2.248 -0.796 -0.350 1.00 23.31 H new ATOM 0 HD21 LEU A 20 0.919 0.402 2.158 1.00 15.50 H new ATOM 0 HD22 LEU A 20 2.123 -0.908 2.208 1.00 15.50 H new ATOM 0 HD23 LEU A 20 2.392 0.584 3.140 1.00 15.50 H new ATOM 335 N LYS A 21 5.638 3.313 1.150 1.00 14.40 N ATOM 336 CA LYS A 21 5.561 4.750 1.392 1.00 23.04 C ATOM 337 C LYS A 21 6.040 5.533 0.174 1.00 33.03 C ATOM 338 O LYS A 21 5.619 6.668 -0.050 1.00 2.15 O ATOM 339 CB LYS A 21 6.400 5.126 2.616 1.00 61.13 C ATOM 340 CG LYS A 21 5.981 6.435 3.262 1.00 51.31 C ATOM 341 CD LYS A 21 6.436 6.513 4.709 1.00 12.32 C ATOM 342 CE LYS A 21 6.970 7.896 5.051 1.00 14.42 C ATOM 343 NZ LYS A 21 8.451 7.970 4.909 1.00 33.54 N ATOM 0 H LYS A 21 6.301 2.819 1.748 1.00 14.40 H new ATOM 0 HA LYS A 21 4.519 5.007 1.580 1.00 23.04 H new ATOM 0 HB2 LYS A 21 6.329 4.327 3.354 1.00 61.13 H new ATOM 0 HB3 LYS A 21 7.447 5.195 2.321 1.00 61.13 H new ATOM 0 HG2 LYS A 21 6.402 7.270 2.702 1.00 51.31 H new ATOM 0 HG3 LYS A 21 4.897 6.534 3.215 1.00 51.31 H new ATOM 0 HD2 LYS A 21 5.602 6.271 5.367 1.00 12.32 H new ATOM 0 HD3 LYS A 21 7.211 5.768 4.889 1.00 12.32 H new ATOM 0 HE2 LYS A 21 6.505 8.636 4.399 1.00 14.42 H new ATOM 0 HE3 LYS A 21 6.690 8.151 6.073 1.00 14.42 H new ATOM 0 HZ1 LYS A 21 8.776 8.928 5.151 1.00 33.54 H new ATOM 0 HZ2 LYS A 21 8.896 7.282 5.549 1.00 33.54 H new ATOM 0 HZ3 LYS A 21 8.717 7.752 3.928 1.00 33.54 H new ATOM 357 N ARG A 22 6.919 4.919 -0.611 1.00 41.32 N ATOM 358 CA ARG A 22 7.454 5.559 -1.806 1.00 54.23 C ATOM 359 C ARG A 22 6.476 5.438 -2.972 1.00 54.22 C ATOM 360 O ARG A 22 6.424 6.303 -3.846 1.00 55.33 O ATOM 361 CB ARG A 22 8.797 4.935 -2.188 1.00 12.42 C ATOM 362 CG ARG A 22 9.890 5.959 -2.454 1.00 20.32 C ATOM 363 CD ARG A 22 10.922 5.429 -3.436 1.00 64.32 C ATOM 364 NE ARG A 22 11.006 6.251 -4.640 1.00 13.52 N ATOM 365 CZ ARG A 22 11.881 6.040 -5.615 1.00 61.32 C ATOM 366 NH1 ARG A 22 12.744 5.036 -5.531 1.00 4.34 N ATOM 367 NH2 ARG A 22 11.895 6.831 -6.679 1.00 41.44 N ATOM 0 H ARG A 22 7.276 3.979 -0.441 1.00 41.32 H new ATOM 0 HA ARG A 22 7.602 6.616 -1.585 1.00 54.23 H new ATOM 0 HB2 ARG A 22 9.120 4.270 -1.387 1.00 12.42 H new ATOM 0 HB3 ARG A 22 8.663 4.320 -3.078 1.00 12.42 H new ATOM 0 HG2 ARG A 22 9.446 6.873 -2.849 1.00 20.32 H new ATOM 0 HG3 ARG A 22 10.380 6.222 -1.516 1.00 20.32 H new ATOM 0 HD2 ARG A 22 11.898 5.394 -2.952 1.00 64.32 H new ATOM 0 HD3 ARG A 22 10.667 4.406 -3.713 1.00 64.32 H new ATOM 0 HE ARG A 22 10.356 7.031 -4.737 1.00 13.52 H new ATOM 0 HH11 ARG A 22 12.736 4.424 -4.715 1.00 4.34 H new ATOM 0 HH12 ARG A 22 13.415 4.876 -6.282 1.00 4.34 H new ATOM 0 HH21 ARG A 22 11.232 7.603 -6.749 1.00 41.44 H new ATOM 0 HH22 ARG A 22 12.568 6.667 -7.427 1.00 41.44 H new ATOM 381 N VAL A 23 5.701 4.358 -2.977 1.00 63.23 N ATOM 382 CA VAL A 23 4.725 4.122 -4.034 1.00 33.11 C ATOM 383 C VAL A 23 3.574 5.120 -3.952 1.00 42.42 C ATOM 384 O VAL A 23 3.206 5.741 -4.949 1.00 12.53 O ATOM 385 CB VAL A 23 4.154 2.693 -3.964 1.00 4.10 C ATOM 386 CG1 VAL A 23 3.291 2.402 -5.182 1.00 65.14 C ATOM 387 CG2 VAL A 23 5.280 1.676 -3.844 1.00 2.54 C ATOM 0 H VAL A 23 5.730 3.633 -2.261 1.00 63.23 H new ATOM 0 HA VAL A 23 5.249 4.250 -4.981 1.00 33.11 H new ATOM 0 HB VAL A 23 3.526 2.614 -3.077 1.00 4.10 H new ATOM 0 HG11 VAL A 23 2.897 1.388 -5.115 1.00 65.14 H new ATOM 0 HG12 VAL A 23 2.464 3.111 -5.220 1.00 65.14 H new ATOM 0 HG13 VAL A 23 3.893 2.498 -6.086 1.00 65.14 H new ATOM 0 HG21 VAL A 23 4.859 0.672 -3.796 1.00 2.54 H new ATOM 0 HG22 VAL A 23 5.935 1.754 -4.712 1.00 2.54 H new ATOM 0 HG23 VAL A 23 5.853 1.873 -2.938 1.00 2.54 H new ATOM 397 N ILE A 24 3.013 5.270 -2.757 1.00 73.53 N ATOM 398 CA ILE A 24 1.906 6.193 -2.545 1.00 12.35 C ATOM 399 C ILE A 24 2.276 7.605 -2.985 1.00 12.33 C ATOM 400 O ILE A 24 1.408 8.408 -3.328 1.00 31.30 O ATOM 401 CB ILE A 24 1.474 6.225 -1.066 1.00 62.50 C ATOM 402 CG1 ILE A 24 1.058 4.827 -0.604 1.00 74.13 C ATOM 403 CG2 ILE A 24 0.337 7.215 -0.867 1.00 14.21 C ATOM 404 CD1 ILE A 24 0.634 4.772 0.846 1.00 33.44 C ATOM 0 H ILE A 24 3.307 4.764 -1.921 1.00 73.53 H new ATOM 0 HA ILE A 24 1.074 5.832 -3.150 1.00 12.35 H new ATOM 0 HB ILE A 24 2.321 6.550 -0.462 1.00 62.50 H new ATOM 0 HG12 ILE A 24 0.236 4.476 -1.228 1.00 74.13 H new ATOM 0 HG13 ILE A 24 1.890 4.140 -0.757 1.00 74.13 H new ATOM 0 HG21 ILE A 24 0.043 7.226 0.183 1.00 14.21 H new ATOM 0 HG22 ILE A 24 0.666 8.211 -1.162 1.00 14.21 H new ATOM 0 HG23 ILE A 24 -0.515 6.918 -1.479 1.00 14.21 H new ATOM 0 HD11 ILE A 24 0.353 3.751 1.104 1.00 33.44 H new ATOM 0 HD12 ILE A 24 1.461 5.092 1.479 1.00 33.44 H new ATOM 0 HD13 ILE A 24 -0.218 5.433 1.001 1.00 33.44 H new ATOM 416 N ALA A 25 3.571 7.903 -2.974 1.00 63.30 N ATOM 417 CA ALA A 25 4.058 9.216 -3.375 1.00 52.04 C ATOM 418 C ALA A 25 4.138 9.331 -4.894 1.00 43.31 C ATOM 419 O ALA A 25 4.021 10.424 -5.451 1.00 41.11 O ATOM 420 CB ALA A 25 5.417 9.489 -2.751 1.00 5.31 C ATOM 0 H ALA A 25 4.303 7.251 -2.691 1.00 63.30 H new ATOM 0 HA ALA A 25 3.350 9.963 -3.017 1.00 52.04 H new ATOM 0 HB1 ALA A 25 5.768 10.474 -3.060 1.00 5.31 H new ATOM 0 HB2 ALA A 25 5.331 9.458 -1.665 1.00 5.31 H new ATOM 0 HB3 ALA A 25 6.128 8.731 -3.080 1.00 5.31 H new ATOM 426 N LEU A 26 4.339 8.199 -5.559 1.00 11.12 N ATOM 427 CA LEU A 26 4.436 8.173 -7.014 1.00 22.22 C ATOM 428 C LEU A 26 3.057 8.032 -7.649 1.00 54.31 C ATOM 429 O LEU A 26 2.643 8.868 -8.454 1.00 1.00 O ATOM 430 CB LEU A 26 5.336 7.021 -7.464 1.00 62.03 C ATOM 431 CG LEU A 26 6.477 7.393 -8.412 1.00 23.42 C ATOM 432 CD1 LEU A 26 7.730 6.596 -8.077 1.00 72.04 C ATOM 433 CD2 LEU A 26 6.066 7.160 -9.858 1.00 2.52 C ATOM 0 H LEU A 26 4.438 7.287 -5.114 1.00 11.12 H new ATOM 0 HA LEU A 26 4.872 9.117 -7.341 1.00 22.22 H new ATOM 0 HB2 LEU A 26 5.764 6.553 -6.578 1.00 62.03 H new ATOM 0 HB3 LEU A 26 4.715 6.270 -7.952 1.00 62.03 H new ATOM 0 HG LEU A 26 6.699 8.452 -8.285 1.00 23.42 H new ATOM 0 HD11 LEU A 26 8.532 6.874 -8.762 1.00 72.04 H new ATOM 0 HD12 LEU A 26 8.036 6.812 -7.053 1.00 72.04 H new ATOM 0 HD13 LEU A 26 7.521 5.531 -8.176 1.00 72.04 H new ATOM 0 HD21 LEU A 26 6.890 7.430 -10.518 1.00 2.52 H new ATOM 0 HD22 LEU A 26 5.816 6.109 -10.000 1.00 2.52 H new ATOM 0 HD23 LEU A 26 5.197 7.774 -10.093 1.00 2.52 H new ATOM 445 N LYS A 27 2.347 6.971 -7.281 1.00 33.11 N ATOM 446 CA LYS A 27 1.011 6.722 -7.810 1.00 51.02 C ATOM 447 C LYS A 27 0.013 7.745 -7.276 1.00 65.12 C ATOM 448 O LYS A 27 -0.782 8.304 -8.030 1.00 74.05 O ATOM 449 CB LYS A 27 0.551 5.308 -7.448 1.00 2.44 C ATOM 450 CG LYS A 27 1.488 4.219 -7.940 1.00 2.34 C ATOM 451 CD LYS A 27 1.703 4.305 -9.441 1.00 53.42 C ATOM 452 CE LYS A 27 0.401 4.105 -10.203 1.00 61.14 C ATOM 453 NZ LYS A 27 0.074 5.278 -11.060 1.00 22.43 N ATOM 0 H LYS A 27 2.675 6.269 -6.618 1.00 33.11 H new ATOM 0 HA LYS A 27 1.055 6.817 -8.895 1.00 51.02 H new ATOM 0 HB2 LYS A 27 0.456 5.232 -6.365 1.00 2.44 H new ATOM 0 HB3 LYS A 27 -0.441 5.139 -7.867 1.00 2.44 H new ATOM 0 HG2 LYS A 27 2.447 4.304 -7.429 1.00 2.34 H new ATOM 0 HG3 LYS A 27 1.077 3.242 -7.686 1.00 2.34 H new ATOM 0 HD2 LYS A 27 2.128 5.276 -9.694 1.00 53.42 H new ATOM 0 HD3 LYS A 27 2.426 3.550 -9.750 1.00 53.42 H new ATOM 0 HE2 LYS A 27 0.477 3.212 -10.823 1.00 61.14 H new ATOM 0 HE3 LYS A 27 -0.411 3.934 -9.496 1.00 61.14 H new ATOM 0 HZ1 LYS A 27 -0.687 5.023 -11.722 1.00 22.43 H new ATOM 0 HZ2 LYS A 27 -0.238 6.069 -10.461 1.00 22.43 H new ATOM 0 HZ3 LYS A 27 0.918 5.562 -11.597 1.00 22.43 H new ATOM 467 N LYS A 28 0.063 7.987 -5.971 1.00 61.20 N ATOM 468 CA LYS A 28 -0.834 8.945 -5.335 1.00 4.22 C ATOM 469 C LYS A 28 -2.291 8.558 -5.559 1.00 75.04 C ATOM 470 O LYS A 28 -3.008 9.176 -6.348 1.00 30.23 O ATOM 471 CB LYS A 28 -0.579 10.353 -5.879 1.00 62.24 C ATOM 472 CG LYS A 28 0.581 11.065 -5.205 1.00 41.12 C ATOM 473 CD LYS A 28 0.317 12.555 -5.068 1.00 73.42 C ATOM 474 CE LYS A 28 1.031 13.140 -3.859 1.00 61.52 C ATOM 475 NZ LYS A 28 2.102 14.095 -4.256 1.00 52.31 N ATOM 0 H LYS A 28 0.716 7.533 -5.332 1.00 61.20 H new ATOM 0 HA LYS A 28 -0.635 8.935 -4.263 1.00 4.22 H new ATOM 0 HB2 LYS A 28 -0.383 10.290 -6.949 1.00 62.24 H new ATOM 0 HB3 LYS A 28 -1.482 10.950 -5.755 1.00 62.24 H new ATOM 0 HG2 LYS A 28 0.751 10.633 -4.219 1.00 41.12 H new ATOM 0 HG3 LYS A 28 1.491 10.908 -5.783 1.00 41.12 H new ATOM 0 HD2 LYS A 28 0.648 13.068 -5.971 1.00 73.42 H new ATOM 0 HD3 LYS A 28 -0.755 12.729 -4.978 1.00 73.42 H new ATOM 0 HE2 LYS A 28 0.308 13.649 -3.222 1.00 61.52 H new ATOM 0 HE3 LYS A 28 1.465 12.333 -3.268 1.00 61.52 H new ATOM 0 HZ1 LYS A 28 2.565 14.472 -3.404 1.00 52.31 H new ATOM 0 HZ2 LYS A 28 2.805 13.603 -4.843 1.00 52.31 H new ATOM 0 HZ3 LYS A 28 1.685 14.878 -4.798 1.00 52.31 H new ATOM 489 N PRO A 29 -2.743 7.512 -4.852 1.00 63.11 N ATOM 490 CA PRO A 29 -4.120 7.021 -4.956 1.00 64.12 C ATOM 491 C PRO A 29 -5.129 7.991 -4.351 1.00 1.43 C ATOM 492 O PRO A 29 -4.753 8.986 -3.732 1.00 21.14 O ATOM 493 CB PRO A 29 -4.092 5.714 -4.160 1.00 1.13 C ATOM 494 CG PRO A 29 -2.971 5.883 -3.194 1.00 10.31 C ATOM 495 CD PRO A 29 -1.943 6.729 -3.895 1.00 13.34 C ATOM 0 HA PRO A 29 -4.431 6.898 -5.993 1.00 64.12 H new ATOM 0 HB2 PRO A 29 -5.037 5.544 -3.644 1.00 1.13 H new ATOM 0 HB3 PRO A 29 -3.927 4.857 -4.812 1.00 1.13 H new ATOM 0 HG2 PRO A 29 -3.314 6.365 -2.279 1.00 10.31 H new ATOM 0 HG3 PRO A 29 -2.553 4.918 -2.909 1.00 10.31 H new ATOM 0 HD2 PRO A 29 -1.408 7.373 -3.197 1.00 13.34 H new ATOM 0 HD3 PRO A 29 -1.196 6.117 -4.401 1.00 13.34 H new ATOM 503 N SER A 30 -6.412 7.695 -4.534 1.00 61.24 N ATOM 504 CA SER A 30 -7.475 8.543 -4.010 1.00 14.24 C ATOM 505 C SER A 30 -8.448 7.731 -3.159 1.00 43.43 C ATOM 506 O SER A 30 -9.664 7.876 -3.280 1.00 30.42 O ATOM 507 CB SER A 30 -8.226 9.223 -5.155 1.00 75.33 C ATOM 508 OG SER A 30 -7.344 9.981 -5.966 1.00 33.34 O ATOM 0 H SER A 30 -6.740 6.873 -5.042 1.00 61.24 H new ATOM 0 HA SER A 30 -7.019 9.307 -3.381 1.00 14.24 H new ATOM 0 HB2 SER A 30 -8.727 8.470 -5.763 1.00 75.33 H new ATOM 0 HB3 SER A 30 -9.001 9.873 -4.750 1.00 75.33 H new ATOM 0 HG SER A 30 -7.849 10.404 -6.692 1.00 33.34 H new ATOM 514 N ALA A 31 -7.902 6.877 -2.299 1.00 42.54 N ATOM 515 CA ALA A 31 -8.720 6.044 -1.427 1.00 4.01 C ATOM 516 C ALA A 31 -9.729 5.233 -2.232 1.00 22.40 C ATOM 517 O ALA A 31 -10.899 5.601 -2.331 1.00 2.35 O ATOM 518 CB ALA A 31 -9.434 6.903 -0.394 1.00 21.00 C ATOM 0 H ALA A 31 -6.897 6.744 -2.188 1.00 42.54 H new ATOM 0 HA ALA A 31 -8.062 5.346 -0.910 1.00 4.01 H new ATOM 0 HB1 ALA A 31 -10.041 6.268 0.251 1.00 21.00 H new ATOM 0 HB2 ALA A 31 -8.698 7.434 0.209 1.00 21.00 H new ATOM 0 HB3 ALA A 31 -10.075 7.624 -0.901 1.00 21.00 H new ATOM 524 N SER A 32 -9.268 4.126 -2.806 1.00 2.43 N ATOM 525 CA SER A 32 -10.131 3.264 -3.606 1.00 44.51 C ATOM 526 C SER A 32 -9.369 2.034 -4.092 1.00 12.22 C ATOM 527 O SER A 32 -8.232 2.135 -4.551 1.00 3.30 O ATOM 528 CB SER A 32 -10.690 4.036 -4.803 1.00 4.21 C ATOM 529 OG SER A 32 -11.955 4.600 -4.500 1.00 5.11 O ATOM 0 H SER A 32 -8.303 3.805 -2.732 1.00 2.43 H new ATOM 0 HA SER A 32 -10.958 2.934 -2.977 1.00 44.51 H new ATOM 0 HB2 SER A 32 -9.995 4.826 -5.087 1.00 4.21 H new ATOM 0 HB3 SER A 32 -10.782 3.368 -5.660 1.00 4.21 H new ATOM 0 HG SER A 32 -11.849 5.291 -3.813 1.00 5.11 H new ATOM 535 N ASP A 33 -10.007 0.873 -3.987 1.00 24.15 N ATOM 536 CA ASP A 33 -9.391 -0.377 -4.416 1.00 22.42 C ATOM 537 C ASP A 33 -8.868 -0.264 -5.844 1.00 61.11 C ATOM 538 O ASP A 33 -7.891 -0.916 -6.211 1.00 60.11 O ATOM 539 CB ASP A 33 -10.397 -1.526 -4.317 1.00 0.21 C ATOM 540 CG ASP A 33 -11.699 -1.216 -5.030 1.00 20.43 C ATOM 541 OD1 ASP A 33 -12.521 -0.464 -4.466 1.00 3.04 O ATOM 542 OD2 ASP A 33 -11.896 -1.727 -6.152 1.00 42.53 O ATOM 0 H ASP A 33 -10.949 0.772 -3.609 1.00 24.15 H new ATOM 0 HA ASP A 33 -8.549 -0.583 -3.756 1.00 22.42 H new ATOM 0 HB2 ASP A 33 -9.958 -2.428 -4.744 1.00 0.21 H new ATOM 0 HB3 ASP A 33 -10.602 -1.737 -3.267 1.00 0.21 H new ATOM 547 N ALA A 34 -9.525 0.567 -6.646 1.00 15.43 N ATOM 548 CA ALA A 34 -9.126 0.766 -8.033 1.00 52.42 C ATOM 549 C ALA A 34 -7.737 1.390 -8.120 1.00 73.25 C ATOM 550 O ALA A 34 -6.859 0.878 -8.815 1.00 11.42 O ATOM 551 CB ALA A 34 -10.144 1.637 -8.756 1.00 23.53 C ATOM 0 H ALA A 34 -10.337 1.114 -6.358 1.00 15.43 H new ATOM 0 HA ALA A 34 -9.089 -0.209 -8.518 1.00 52.42 H new ATOM 0 HB1 ALA A 34 -9.833 1.777 -9.791 1.00 23.53 H new ATOM 0 HB2 ALA A 34 -11.120 1.152 -8.733 1.00 23.53 H new ATOM 0 HB3 ALA A 34 -10.209 2.607 -8.262 1.00 23.53 H new ATOM 557 N ASP A 35 -7.546 2.498 -7.412 1.00 31.14 N ATOM 558 CA ASP A 35 -6.262 3.191 -7.410 1.00 34.34 C ATOM 559 C ASP A 35 -5.185 2.339 -6.745 1.00 73.12 C ATOM 560 O ASP A 35 -4.029 2.345 -7.167 1.00 72.43 O ATOM 561 CB ASP A 35 -6.386 4.533 -6.686 1.00 40.12 C ATOM 562 CG ASP A 35 -6.040 5.707 -7.581 1.00 3.14 C ATOM 563 OD1 ASP A 35 -4.894 5.758 -8.074 1.00 54.02 O ATOM 564 OD2 ASP A 35 -6.914 6.575 -7.786 1.00 52.42 O ATOM 0 H ASP A 35 -8.263 2.935 -6.833 1.00 31.14 H new ATOM 0 HA ASP A 35 -5.971 3.369 -8.445 1.00 34.34 H new ATOM 0 HB2 ASP A 35 -7.404 4.650 -6.315 1.00 40.12 H new ATOM 0 HB3 ASP A 35 -5.728 4.536 -5.817 1.00 40.12 H new ATOM 569 N TRP A 36 -5.573 1.610 -5.705 1.00 73.33 N ATOM 570 CA TRP A 36 -4.640 0.753 -4.984 1.00 2.24 C ATOM 571 C TRP A 36 -4.173 -0.404 -5.859 1.00 32.42 C ATOM 572 O TRP A 36 -3.141 -1.021 -5.594 1.00 23.31 O ATOM 573 CB TRP A 36 -5.292 0.213 -3.709 1.00 42.30 C ATOM 574 CG TRP A 36 -5.191 1.153 -2.547 1.00 11.24 C ATOM 575 CD1 TRP A 36 -6.190 1.928 -2.029 1.00 65.22 C ATOM 576 CD2 TRP A 36 -4.025 1.419 -1.758 1.00 15.41 C ATOM 577 NE1 TRP A 36 -5.715 2.659 -0.966 1.00 60.32 N ATOM 578 CE2 TRP A 36 -4.390 2.365 -0.780 1.00 73.12 C ATOM 579 CE3 TRP A 36 -2.710 0.950 -1.783 1.00 25.45 C ATOM 580 CZ2 TRP A 36 -3.486 2.847 0.162 1.00 13.43 C ATOM 581 CZ3 TRP A 36 -1.813 1.430 -0.847 1.00 53.33 C ATOM 582 CH2 TRP A 36 -2.205 2.371 0.116 1.00 52.24 C ATOM 0 H TRP A 36 -6.526 1.595 -5.343 1.00 73.33 H new ATOM 0 HA TRP A 36 -3.771 1.353 -4.714 1.00 2.24 H new ATOM 0 HB2 TRP A 36 -6.343 0.004 -3.908 1.00 42.30 H new ATOM 0 HB3 TRP A 36 -4.823 -0.734 -3.443 1.00 42.30 H new ATOM 0 HD1 TRP A 36 -7.204 1.961 -2.400 1.00 65.22 H new ATOM 0 HE1 TRP A 36 -6.261 3.314 -0.406 1.00 60.32 H new ATOM 0 HE3 TRP A 36 -2.399 0.225 -2.521 1.00 25.45 H new ATOM 0 HZ2 TRP A 36 -3.786 3.572 0.904 1.00 13.43 H new ATOM 0 HZ3 TRP A 36 -0.793 1.074 -0.858 1.00 53.33 H new ATOM 0 HH2 TRP A 36 -1.482 2.726 0.835 1.00 52.24 H new ATOM 593 N THR A 37 -4.940 -0.696 -6.906 1.00 13.30 N ATOM 594 CA THR A 37 -4.605 -1.780 -7.820 1.00 2.02 C ATOM 595 C THR A 37 -3.198 -1.611 -8.381 1.00 64.31 C ATOM 596 O THR A 37 -2.490 -2.591 -8.612 1.00 35.41 O ATOM 597 CB THR A 37 -5.605 -1.859 -8.989 1.00 33.11 C ATOM 598 OG1 THR A 37 -6.942 -1.700 -8.500 1.00 53.21 O ATOM 599 CG2 THR A 37 -5.482 -3.188 -9.718 1.00 63.24 C ATOM 0 H THR A 37 -5.797 -0.196 -7.141 1.00 13.30 H new ATOM 0 HA THR A 37 -4.656 -2.705 -7.245 1.00 2.02 H new ATOM 0 HB THR A 37 -5.376 -1.056 -9.690 1.00 33.11 H new ATOM 0 HG1 THR A 37 -6.932 -1.681 -7.520 1.00 53.21 H new ATOM 0 HG21 THR A 37 -6.198 -3.220 -10.539 1.00 63.24 H new ATOM 0 HG22 THR A 37 -4.472 -3.294 -10.113 1.00 63.24 H new ATOM 0 HG23 THR A 37 -5.688 -4.004 -9.025 1.00 63.24 H new ATOM 607 N GLU A 38 -2.799 -0.361 -8.598 1.00 64.43 N ATOM 608 CA GLU A 38 -1.474 -0.066 -9.134 1.00 20.25 C ATOM 609 C GLU A 38 -0.421 -0.104 -8.030 1.00 32.22 C ATOM 610 O GLU A 38 0.589 -0.800 -8.144 1.00 22.13 O ATOM 611 CB GLU A 38 -1.469 1.305 -9.811 1.00 40.42 C ATOM 612 CG GLU A 38 -1.175 1.247 -11.301 1.00 51.11 C ATOM 613 CD GLU A 38 0.259 0.853 -11.598 1.00 0.01 C ATOM 614 OE1 GLU A 38 0.733 -0.146 -11.018 1.00 10.04 O ATOM 615 OE2 GLU A 38 0.907 1.544 -12.412 1.00 10.02 O ATOM 0 H GLU A 38 -3.372 0.462 -8.412 1.00 64.43 H new ATOM 0 HA GLU A 38 -1.229 -0.829 -9.873 1.00 20.25 H new ATOM 0 HB2 GLU A 38 -2.438 1.780 -9.659 1.00 40.42 H new ATOM 0 HB3 GLU A 38 -0.725 1.937 -9.327 1.00 40.42 H new ATOM 0 HG2 GLU A 38 -1.849 0.532 -11.773 1.00 51.11 H new ATOM 0 HG3 GLU A 38 -1.380 2.221 -11.746 1.00 51.11 H new ATOM 622 N VAL A 39 -0.663 0.648 -6.962 1.00 42.01 N ATOM 623 CA VAL A 39 0.263 0.701 -5.837 1.00 5.10 C ATOM 624 C VAL A 39 0.551 -0.695 -5.297 1.00 3.15 C ATOM 625 O VAL A 39 1.677 -1.000 -4.901 1.00 22.25 O ATOM 626 CB VAL A 39 -0.287 1.578 -4.696 1.00 73.34 C ATOM 627 CG1 VAL A 39 0.678 1.595 -3.522 1.00 63.42 C ATOM 628 CG2 VAL A 39 -0.559 2.989 -5.194 1.00 50.13 C ATOM 0 H VAL A 39 -1.494 1.230 -6.852 1.00 42.01 H new ATOM 0 HA VAL A 39 1.188 1.142 -6.209 1.00 5.10 H new ATOM 0 HB VAL A 39 -1.229 1.150 -4.354 1.00 73.34 H new ATOM 0 HG11 VAL A 39 0.272 2.220 -2.726 1.00 63.42 H new ATOM 0 HG12 VAL A 39 0.817 0.580 -3.151 1.00 63.42 H new ATOM 0 HG13 VAL A 39 1.638 1.998 -3.846 1.00 63.42 H new ATOM 0 HG21 VAL A 39 -0.947 3.595 -4.375 1.00 50.13 H new ATOM 0 HG22 VAL A 39 0.367 3.429 -5.564 1.00 50.13 H new ATOM 0 HG23 VAL A 39 -1.292 2.955 -6.000 1.00 50.13 H new ATOM 638 N LEU A 40 -0.474 -1.541 -5.282 1.00 44.14 N ATOM 639 CA LEU A 40 -0.332 -2.906 -4.791 1.00 24.43 C ATOM 640 C LEU A 40 0.302 -3.803 -5.849 1.00 24.21 C ATOM 641 O LEU A 40 0.825 -4.874 -5.538 1.00 35.24 O ATOM 642 CB LEU A 40 -1.695 -3.467 -4.382 1.00 71.42 C ATOM 643 CG LEU A 40 -2.398 -4.345 -5.418 1.00 62.43 C ATOM 644 CD1 LEU A 40 -1.972 -5.797 -5.263 1.00 70.44 C ATOM 645 CD2 LEU A 40 -3.908 -4.214 -5.292 1.00 33.04 C ATOM 0 H LEU A 40 -1.412 -1.305 -5.605 1.00 44.14 H new ATOM 0 HA LEU A 40 0.322 -2.885 -3.919 1.00 24.43 H new ATOM 0 HB2 LEU A 40 -1.567 -4.049 -3.469 1.00 71.42 H new ATOM 0 HB3 LEU A 40 -2.351 -2.631 -4.138 1.00 71.42 H new ATOM 0 HG LEU A 40 -2.106 -4.006 -6.412 1.00 62.43 H new ATOM 0 HD11 LEU A 40 -2.482 -6.407 -6.008 1.00 70.44 H new ATOM 0 HD12 LEU A 40 -0.894 -5.877 -5.404 1.00 70.44 H new ATOM 0 HD13 LEU A 40 -2.234 -6.149 -4.265 1.00 70.44 H new ATOM 0 HD21 LEU A 40 -4.391 -4.846 -6.037 1.00 33.04 H new ATOM 0 HD22 LEU A 40 -4.218 -4.526 -4.295 1.00 33.04 H new ATOM 0 HD23 LEU A 40 -4.198 -3.176 -5.454 1.00 33.04 H new ATOM 657 N ARG A 41 0.256 -3.358 -7.100 1.00 53.12 N ATOM 658 CA ARG A 41 0.826 -4.119 -8.205 1.00 23.44 C ATOM 659 C ARG A 41 2.296 -4.436 -7.944 1.00 0.14 C ATOM 660 O ARG A 41 2.746 -5.565 -8.150 1.00 55.12 O ATOM 661 CB ARG A 41 0.686 -3.342 -9.514 1.00 70.32 C ATOM 662 CG ARG A 41 0.380 -4.223 -10.715 1.00 30.12 C ATOM 663 CD ARG A 41 0.920 -3.618 -12.002 1.00 51.50 C ATOM 664 NE ARG A 41 2.129 -4.296 -12.460 1.00 2.12 N ATOM 665 CZ ARG A 41 2.638 -4.148 -13.678 1.00 12.13 C ATOM 666 NH1 ARG A 41 2.046 -3.349 -14.555 1.00 41.31 N ATOM 667 NH2 ARG A 41 3.742 -4.798 -14.020 1.00 74.44 N ATOM 0 H ARG A 41 -0.171 -2.473 -7.374 1.00 53.12 H new ATOM 0 HA ARG A 41 0.278 -5.057 -8.288 1.00 23.44 H new ATOM 0 HB2 ARG A 41 -0.107 -2.603 -9.405 1.00 70.32 H new ATOM 0 HB3 ARG A 41 1.609 -2.794 -9.702 1.00 70.32 H new ATOM 0 HG2 ARG A 41 0.817 -5.210 -10.564 1.00 30.12 H new ATOM 0 HG3 ARG A 41 -0.698 -4.361 -10.801 1.00 30.12 H new ATOM 0 HD2 ARG A 41 0.156 -3.675 -12.778 1.00 51.50 H new ATOM 0 HD3 ARG A 41 1.135 -2.561 -11.844 1.00 51.50 H new ATOM 0 HE ARG A 41 2.609 -4.917 -11.809 1.00 2.12 H new ATOM 0 HH11 ARG A 41 1.198 -2.846 -14.295 1.00 41.31 H new ATOM 0 HH12 ARG A 41 2.439 -3.237 -15.490 1.00 41.31 H new ATOM 0 HH21 ARG A 41 4.201 -5.412 -13.348 1.00 74.44 H new ATOM 0 HH22 ARG A 41 4.132 -4.684 -14.956 1.00 74.44 H new ATOM 681 N LEU A 42 3.041 -3.433 -7.490 1.00 21.11 N ATOM 682 CA LEU A 42 4.461 -3.604 -7.202 1.00 74.10 C ATOM 683 C LEU A 42 4.667 -4.166 -5.798 1.00 51.34 C ATOM 684 O LEU A 42 5.550 -4.995 -5.573 1.00 53.53 O ATOM 685 CB LEU A 42 5.194 -2.270 -7.343 1.00 1.42 C ATOM 686 CG LEU A 42 5.543 -1.843 -8.769 1.00 5.12 C ATOM 687 CD1 LEU A 42 4.280 -1.586 -9.574 1.00 51.04 C ATOM 688 CD2 LEU A 42 6.430 -0.606 -8.754 1.00 12.21 C ATOM 0 H LEU A 42 2.685 -2.493 -7.314 1.00 21.11 H new ATOM 0 HA LEU A 42 4.870 -4.313 -7.921 1.00 74.10 H new ATOM 0 HB2 LEU A 42 4.579 -1.491 -6.892 1.00 1.42 H new ATOM 0 HB3 LEU A 42 6.117 -2.322 -6.765 1.00 1.42 H new ATOM 0 HG LEU A 42 6.093 -2.654 -9.246 1.00 5.12 H new ATOM 0 HD11 LEU A 42 4.549 -1.283 -10.586 1.00 51.04 H new ATOM 0 HD12 LEU A 42 3.683 -2.497 -9.614 1.00 51.04 H new ATOM 0 HD13 LEU A 42 3.701 -0.793 -9.100 1.00 51.04 H new ATOM 0 HD21 LEU A 42 6.668 -0.317 -9.778 1.00 12.21 H new ATOM 0 HD22 LEU A 42 5.906 0.211 -8.258 1.00 12.21 H new ATOM 0 HD23 LEU A 42 7.352 -0.826 -8.215 1.00 12.21 H new ATOM 700 N LEU A 43 3.847 -3.710 -4.858 1.00 52.23 N ATOM 701 CA LEU A 43 3.938 -4.168 -3.476 1.00 42.43 C ATOM 702 C LEU A 43 3.521 -5.630 -3.358 1.00 72.43 C ATOM 703 O LEU A 43 3.737 -6.267 -2.328 1.00 2.21 O ATOM 704 CB LEU A 43 3.060 -3.301 -2.572 1.00 53.32 C ATOM 705 CG LEU A 43 3.672 -2.896 -1.230 1.00 55.42 C ATOM 706 CD1 LEU A 43 4.374 -4.080 -0.584 1.00 34.40 C ATOM 707 CD2 LEU A 43 4.639 -1.735 -1.414 1.00 31.21 C ATOM 0 H LEU A 43 3.112 -3.024 -5.027 1.00 52.23 H new ATOM 0 HA LEU A 43 4.977 -4.079 -3.157 1.00 42.43 H new ATOM 0 HB2 LEU A 43 2.796 -2.394 -3.117 1.00 53.32 H new ATOM 0 HB3 LEU A 43 2.131 -3.838 -2.378 1.00 53.32 H new ATOM 0 HG LEU A 43 2.868 -2.572 -0.569 1.00 55.42 H new ATOM 0 HD11 LEU A 43 4.803 -3.773 0.370 1.00 34.40 H new ATOM 0 HD12 LEU A 43 3.655 -4.882 -0.417 1.00 34.40 H new ATOM 0 HD13 LEU A 43 5.168 -4.435 -1.241 1.00 34.40 H new ATOM 0 HD21 LEU A 43 5.065 -1.460 -0.449 1.00 31.21 H new ATOM 0 HD22 LEU A 43 5.439 -2.032 -2.093 1.00 31.21 H new ATOM 0 HD23 LEU A 43 4.107 -0.881 -1.832 1.00 31.21 H new ATOM 719 N ALA A 44 2.923 -6.157 -4.422 1.00 24.11 N ATOM 720 CA ALA A 44 2.481 -7.545 -4.440 1.00 34.45 C ATOM 721 C ALA A 44 3.621 -8.480 -4.830 1.00 32.44 C ATOM 722 O ALA A 44 3.392 -9.566 -5.366 1.00 4.42 O ATOM 723 CB ALA A 44 1.308 -7.713 -5.395 1.00 72.00 C ATOM 0 H ALA A 44 2.734 -5.643 -5.282 1.00 24.11 H new ATOM 0 HA ALA A 44 2.157 -7.810 -3.434 1.00 34.45 H new ATOM 0 HB1 ALA A 44 0.988 -8.755 -5.398 1.00 72.00 H new ATOM 0 HB2 ALA A 44 0.481 -7.081 -5.071 1.00 72.00 H new ATOM 0 HB3 ALA A 44 1.613 -7.424 -6.401 1.00 72.00 H new ATOM 729 N LYS A 45 4.848 -8.054 -4.557 1.00 43.42 N ATOM 730 CA LYS A 45 6.025 -8.853 -4.879 1.00 24.21 C ATOM 731 C LYS A 45 6.029 -10.159 -4.090 1.00 15.23 C ATOM 732 O LYS A 45 6.697 -11.120 -4.467 1.00 40.03 O ATOM 733 CB LYS A 45 7.301 -8.062 -4.581 1.00 5.43 C ATOM 734 CG LYS A 45 8.321 -8.105 -5.705 1.00 52.43 C ATOM 735 CD LYS A 45 8.230 -6.871 -6.588 1.00 21.10 C ATOM 736 CE LYS A 45 9.025 -5.711 -6.008 1.00 62.23 C ATOM 737 NZ LYS A 45 10.493 -5.917 -6.156 1.00 75.22 N ATOM 0 H LYS A 45 5.055 -7.159 -4.113 1.00 43.42 H new ATOM 0 HA LYS A 45 5.992 -9.091 -5.942 1.00 24.21 H new ATOM 0 HB2 LYS A 45 7.036 -7.024 -4.382 1.00 5.43 H new ATOM 0 HB3 LYS A 45 7.758 -8.454 -3.672 1.00 5.43 H new ATOM 0 HG2 LYS A 45 9.324 -8.180 -5.285 1.00 52.43 H new ATOM 0 HG3 LYS A 45 8.161 -8.998 -6.309 1.00 52.43 H new ATOM 0 HD2 LYS A 45 8.603 -7.107 -7.585 1.00 21.10 H new ATOM 0 HD3 LYS A 45 7.186 -6.578 -6.700 1.00 21.10 H new ATOM 0 HE2 LYS A 45 8.736 -4.786 -6.507 1.00 62.23 H new ATOM 0 HE3 LYS A 45 8.779 -5.594 -4.953 1.00 62.23 H new ATOM 0 HZ1 LYS A 45 10.989 -5.022 -5.972 1.00 75.22 H new ATOM 0 HZ2 LYS A 45 10.813 -6.636 -5.476 1.00 75.22 H new ATOM 0 HZ3 LYS A 45 10.703 -6.237 -7.123 1.00 75.22 H new ATOM 751 N GLU A 46 5.275 -10.185 -2.995 1.00 2.15 N ATOM 752 CA GLU A 46 5.192 -11.374 -2.154 1.00 52.04 C ATOM 753 C GLU A 46 3.769 -11.924 -2.129 1.00 50.10 C ATOM 754 O GLU A 46 3.370 -12.602 -1.183 1.00 14.50 O ATOM 755 CB GLU A 46 5.652 -11.054 -0.732 1.00 3.35 C ATOM 756 CG GLU A 46 4.831 -9.967 -0.056 1.00 21.50 C ATOM 757 CD GLU A 46 4.775 -10.129 1.450 1.00 31.54 C ATOM 758 OE1 GLU A 46 4.259 -11.167 1.916 1.00 24.53 O ATOM 759 OE2 GLU A 46 5.246 -9.219 2.162 1.00 1.42 O ATOM 0 H GLU A 46 4.714 -9.398 -2.670 1.00 2.15 H new ATOM 0 HA GLU A 46 5.849 -12.133 -2.577 1.00 52.04 H new ATOM 0 HB2 GLU A 46 5.603 -11.962 -0.130 1.00 3.35 H new ATOM 0 HB3 GLU A 46 6.697 -10.745 -0.758 1.00 3.35 H new ATOM 0 HG2 GLU A 46 5.256 -8.993 -0.297 1.00 21.50 H new ATOM 0 HG3 GLU A 46 3.817 -9.980 -0.457 1.00 21.50 H new ATOM 766 N GLY A 47 3.006 -11.624 -3.176 1.00 53.20 N ATOM 767 CA GLY A 47 1.635 -12.094 -3.254 1.00 61.45 C ATOM 768 C GLY A 47 0.745 -11.465 -2.200 1.00 62.54 C ATOM 769 O GLY A 47 -0.037 -12.155 -1.547 1.00 23.00 O ATOM 0 H GLY A 47 3.313 -11.064 -3.971 1.00 53.20 H new ATOM 0 HA2 GLY A 47 1.234 -11.872 -4.243 1.00 61.45 H new ATOM 0 HA3 GLY A 47 1.619 -13.178 -3.139 1.00 61.45 H new ATOM 773 N VAL A 48 0.865 -10.152 -2.033 1.00 24.22 N ATOM 774 CA VAL A 48 0.066 -9.430 -1.050 1.00 61.43 C ATOM 775 C VAL A 48 -1.424 -9.588 -1.332 1.00 11.31 C ATOM 776 O VAL A 48 -1.845 -9.648 -2.487 1.00 74.22 O ATOM 777 CB VAL A 48 0.420 -7.931 -1.031 1.00 75.34 C ATOM 778 CG1 VAL A 48 -0.475 -7.184 -0.056 1.00 33.55 C ATOM 779 CG2 VAL A 48 1.887 -7.734 -0.681 1.00 33.34 C ATOM 0 H VAL A 48 1.508 -9.566 -2.566 1.00 24.22 H new ATOM 0 HA VAL A 48 0.296 -9.861 -0.075 1.00 61.43 H new ATOM 0 HB VAL A 48 0.251 -7.523 -2.027 1.00 75.34 H new ATOM 0 HG11 VAL A 48 -0.210 -6.127 -0.056 1.00 33.55 H new ATOM 0 HG12 VAL A 48 -1.516 -7.297 -0.358 1.00 33.55 H new ATOM 0 HG13 VAL A 48 -0.341 -7.591 0.946 1.00 33.55 H new ATOM 0 HG21 VAL A 48 2.119 -6.669 -0.672 1.00 33.34 H new ATOM 0 HG22 VAL A 48 2.086 -8.157 0.304 1.00 33.34 H new ATOM 0 HG23 VAL A 48 2.509 -8.235 -1.423 1.00 33.34 H new ATOM 789 N VAL A 49 -2.218 -9.652 -0.268 1.00 13.35 N ATOM 790 CA VAL A 49 -3.662 -9.799 -0.400 1.00 54.12 C ATOM 791 C VAL A 49 -4.276 -8.596 -1.107 1.00 2.40 C ATOM 792 O VAL A 49 -3.589 -7.615 -1.392 1.00 44.21 O ATOM 793 CB VAL A 49 -4.337 -9.973 0.974 1.00 51.31 C ATOM 794 CG1 VAL A 49 -3.933 -11.297 1.603 1.00 21.30 C ATOM 795 CG2 VAL A 49 -3.987 -8.809 1.889 1.00 72.44 C ATOM 0 H VAL A 49 -1.885 -9.604 0.695 1.00 13.35 H new ATOM 0 HA VAL A 49 -3.835 -10.694 -0.997 1.00 54.12 H new ATOM 0 HB VAL A 49 -5.418 -9.981 0.831 1.00 51.31 H new ATOM 0 HG11 VAL A 49 -4.419 -11.403 2.573 1.00 21.30 H new ATOM 0 HG12 VAL A 49 -4.238 -12.117 0.953 1.00 21.30 H new ATOM 0 HG13 VAL A 49 -2.851 -11.322 1.735 1.00 21.30 H new ATOM 0 HG21 VAL A 49 -4.472 -8.947 2.855 1.00 72.44 H new ATOM 0 HG22 VAL A 49 -2.907 -8.767 2.028 1.00 72.44 H new ATOM 0 HG23 VAL A 49 -4.331 -7.877 1.440 1.00 72.44 H new ATOM 805 N GLU A 50 -5.573 -8.677 -1.385 1.00 74.12 N ATOM 806 CA GLU A 50 -6.279 -7.594 -2.060 1.00 2.05 C ATOM 807 C GLU A 50 -5.934 -6.246 -1.431 1.00 21.11 C ATOM 808 O GLU A 50 -5.483 -6.163 -0.289 1.00 5.12 O ATOM 809 CB GLU A 50 -7.790 -7.824 -1.999 1.00 74.45 C ATOM 810 CG GLU A 50 -8.271 -8.357 -0.661 1.00 13.13 C ATOM 811 CD GLU A 50 -8.586 -9.840 -0.701 1.00 74.42 C ATOM 812 OE1 GLU A 50 -7.666 -10.635 -0.984 1.00 53.10 O ATOM 813 OE2 GLU A 50 -9.754 -10.206 -0.451 1.00 14.54 O ATOM 0 H GLU A 50 -6.156 -9.481 -1.153 1.00 74.12 H new ATOM 0 HA GLU A 50 -5.962 -7.582 -3.103 1.00 2.05 H new ATOM 0 HB2 GLU A 50 -8.301 -6.885 -2.211 1.00 74.45 H new ATOM 0 HB3 GLU A 50 -8.074 -8.526 -2.783 1.00 74.45 H new ATOM 0 HG2 GLU A 50 -7.508 -8.172 0.095 1.00 13.13 H new ATOM 0 HG3 GLU A 50 -9.162 -7.809 -0.355 1.00 13.13 H new ATOM 820 N PRO A 51 -6.150 -5.165 -2.195 1.00 65.50 N ATOM 821 CA PRO A 51 -5.869 -3.802 -1.735 1.00 70.11 C ATOM 822 C PRO A 51 -6.835 -3.347 -0.646 1.00 53.04 C ATOM 823 O PRO A 51 -6.571 -2.377 0.063 1.00 34.33 O ATOM 824 CB PRO A 51 -6.051 -2.957 -2.999 1.00 70.01 C ATOM 825 CG PRO A 51 -6.986 -3.745 -3.850 1.00 73.02 C ATOM 826 CD PRO A 51 -6.686 -5.191 -3.567 1.00 4.52 C ATOM 0 HA PRO A 51 -4.878 -3.718 -1.289 1.00 70.11 H new ATOM 0 HB2 PRO A 51 -6.462 -1.975 -2.763 1.00 70.01 H new ATOM 0 HB3 PRO A 51 -5.100 -2.791 -3.505 1.00 70.01 H new ATOM 0 HG2 PRO A 51 -8.023 -3.508 -3.613 1.00 73.02 H new ATOM 0 HG3 PRO A 51 -6.840 -3.516 -4.906 1.00 73.02 H new ATOM 0 HD2 PRO A 51 -7.581 -5.809 -3.637 1.00 4.52 H new ATOM 0 HD3 PRO A 51 -5.962 -5.597 -4.274 1.00 4.52 H new ATOM 834 N GLU A 52 -7.954 -4.054 -0.521 1.00 23.12 N ATOM 835 CA GLU A 52 -8.959 -3.721 0.482 1.00 41.44 C ATOM 836 C GLU A 52 -8.326 -3.595 1.865 1.00 72.22 C ATOM 837 O GLU A 52 -8.743 -2.771 2.678 1.00 2.12 O ATOM 838 CB GLU A 52 -10.059 -4.785 0.507 1.00 44.11 C ATOM 839 CG GLU A 52 -11.232 -4.467 -0.404 1.00 14.12 C ATOM 840 CD GLU A 52 -12.160 -3.420 0.183 1.00 42.23 C ATOM 841 OE1 GLU A 52 -12.828 -3.718 1.195 1.00 72.24 O ATOM 842 OE2 GLU A 52 -12.216 -2.302 -0.370 1.00 41.24 O ATOM 0 H GLU A 52 -8.187 -4.860 -1.101 1.00 23.12 H new ATOM 0 HA GLU A 52 -9.399 -2.760 0.214 1.00 41.44 H new ATOM 0 HB2 GLU A 52 -9.632 -5.744 0.215 1.00 44.11 H new ATOM 0 HB3 GLU A 52 -10.423 -4.896 1.529 1.00 44.11 H new ATOM 0 HG2 GLU A 52 -10.856 -4.116 -1.365 1.00 14.12 H new ATOM 0 HG3 GLU A 52 -11.796 -5.380 -0.596 1.00 14.12 H new ATOM 849 N VAL A 53 -7.316 -4.420 2.125 1.00 42.13 N ATOM 850 CA VAL A 53 -6.625 -4.401 3.408 1.00 22.23 C ATOM 851 C VAL A 53 -5.489 -3.383 3.406 1.00 34.53 C ATOM 852 O VAL A 53 -5.326 -2.618 4.356 1.00 0.41 O ATOM 853 CB VAL A 53 -6.055 -5.789 3.758 1.00 12.35 C ATOM 854 CG1 VAL A 53 -5.515 -5.800 5.180 1.00 21.13 C ATOM 855 CG2 VAL A 53 -7.117 -6.862 3.575 1.00 75.23 C ATOM 0 H VAL A 53 -6.959 -5.110 1.464 1.00 42.13 H new ATOM 0 HA VAL A 53 -7.361 -4.118 4.160 1.00 22.23 H new ATOM 0 HB VAL A 53 -5.230 -6.006 3.079 1.00 12.35 H new ATOM 0 HG11 VAL A 53 -5.116 -6.788 5.410 1.00 21.13 H new ATOM 0 HG12 VAL A 53 -4.722 -5.058 5.274 1.00 21.13 H new ATOM 0 HG13 VAL A 53 -6.319 -5.562 5.876 1.00 21.13 H new ATOM 0 HG21 VAL A 53 -6.697 -7.836 3.827 1.00 75.23 H new ATOM 0 HG22 VAL A 53 -7.963 -6.652 4.229 1.00 75.23 H new ATOM 0 HG23 VAL A 53 -7.453 -6.868 2.538 1.00 75.23 H new ATOM 865 N VAL A 54 -4.706 -3.382 2.333 1.00 53.42 N ATOM 866 CA VAL A 54 -3.586 -2.457 2.205 1.00 1.21 C ATOM 867 C VAL A 54 -4.026 -1.021 2.466 1.00 50.21 C ATOM 868 O VAL A 54 -3.245 -0.197 2.944 1.00 64.45 O ATOM 869 CB VAL A 54 -2.945 -2.541 0.807 1.00 11.31 C ATOM 870 CG1 VAL A 54 -1.746 -1.610 0.713 1.00 42.24 C ATOM 871 CG2 VAL A 54 -2.544 -3.973 0.490 1.00 14.10 C ATOM 0 H VAL A 54 -4.826 -4.011 1.539 1.00 53.42 H new ATOM 0 HA VAL A 54 -2.848 -2.749 2.952 1.00 1.21 H new ATOM 0 HB VAL A 54 -3.681 -2.222 0.069 1.00 11.31 H new ATOM 0 HG11 VAL A 54 -1.306 -1.683 -0.282 1.00 42.24 H new ATOM 0 HG12 VAL A 54 -2.067 -0.584 0.894 1.00 42.24 H new ATOM 0 HG13 VAL A 54 -1.005 -1.895 1.459 1.00 42.24 H new ATOM 0 HG21 VAL A 54 -2.093 -4.014 -0.501 1.00 14.10 H new ATOM 0 HG22 VAL A 54 -1.824 -4.322 1.231 1.00 14.10 H new ATOM 0 HG23 VAL A 54 -3.427 -4.612 0.513 1.00 14.10 H new ATOM 881 N ARG A 55 -5.283 -0.726 2.148 1.00 3.00 N ATOM 882 CA ARG A 55 -5.828 0.611 2.347 1.00 62.21 C ATOM 883 C ARG A 55 -5.712 1.033 3.809 1.00 12.52 C ATOM 884 O ARG A 55 -5.381 2.180 4.108 1.00 12.22 O ATOM 885 CB ARG A 55 -7.292 0.659 1.906 1.00 60.35 C ATOM 886 CG ARG A 55 -7.987 1.967 2.245 1.00 52.14 C ATOM 887 CD ARG A 55 -8.992 2.358 1.173 1.00 34.33 C ATOM 888 NE ARG A 55 -10.084 3.163 1.714 1.00 14.10 N ATOM 889 CZ ARG A 55 -11.010 2.687 2.539 1.00 44.42 C ATOM 890 NH1 ARG A 55 -10.976 1.417 2.917 1.00 70.23 N ATOM 891 NH2 ARG A 55 -11.973 3.482 2.989 1.00 4.23 N ATOM 0 H ARG A 55 -5.943 -1.395 1.751 1.00 3.00 H new ATOM 0 HA ARG A 55 -5.249 1.306 1.739 1.00 62.21 H new ATOM 0 HB2 ARG A 55 -7.344 0.498 0.829 1.00 60.35 H new ATOM 0 HB3 ARG A 55 -7.832 -0.162 2.377 1.00 60.35 H new ATOM 0 HG2 ARG A 55 -8.495 1.872 3.205 1.00 52.14 H new ATOM 0 HG3 ARG A 55 -7.244 2.757 2.355 1.00 52.14 H new ATOM 0 HD2 ARG A 55 -8.484 2.917 0.387 1.00 34.33 H new ATOM 0 HD3 ARG A 55 -9.399 1.458 0.712 1.00 34.33 H new ATOM 0 HE ARG A 55 -10.139 4.145 1.443 1.00 14.10 H new ATOM 0 HH11 ARG A 55 -10.238 0.803 2.574 1.00 70.23 H new ATOM 0 HH12 ARG A 55 -11.688 1.054 3.551 1.00 70.23 H new ATOM 0 HH21 ARG A 55 -12.003 4.460 2.701 1.00 4.23 H new ATOM 0 HH22 ARG A 55 -12.683 3.115 3.622 1.00 4.23 H new ATOM 905 N GLN A 56 -5.988 0.099 4.713 1.00 71.13 N ATOM 906 CA GLN A 56 -5.916 0.376 6.143 1.00 23.43 C ATOM 907 C GLN A 56 -4.490 0.209 6.659 1.00 74.33 C ATOM 908 O GLN A 56 -4.031 0.978 7.503 1.00 42.03 O ATOM 909 CB GLN A 56 -6.861 -0.550 6.911 1.00 24.01 C ATOM 910 CG GLN A 56 -6.822 -0.344 8.417 1.00 32.43 C ATOM 911 CD GLN A 56 -6.981 1.110 8.812 1.00 64.11 C ATOM 912 OE1 GLN A 56 -7.960 1.762 8.447 1.00 31.23 O ATOM 913 NE2 GLN A 56 -6.015 1.629 9.562 1.00 61.23 N ATOM 0 H GLN A 56 -6.263 -0.855 4.481 1.00 71.13 H new ATOM 0 HA GLN A 56 -6.222 1.410 6.303 1.00 23.43 H new ATOM 0 HB2 GLN A 56 -7.880 -0.391 6.557 1.00 24.01 H new ATOM 0 HB3 GLN A 56 -6.604 -1.585 6.687 1.00 24.01 H new ATOM 0 HG2 GLN A 56 -7.615 -0.931 8.881 1.00 32.43 H new ATOM 0 HG3 GLN A 56 -5.877 -0.721 8.807 1.00 32.43 H new ATOM 0 HE21 GLN A 56 -5.221 1.053 9.842 1.00 61.23 H new ATOM 0 HE22 GLN A 56 -6.067 2.604 9.858 1.00 61.23 H new ATOM 922 N ILE A 57 -3.795 -0.802 6.146 1.00 13.32 N ATOM 923 CA ILE A 57 -2.422 -1.069 6.555 1.00 55.32 C ATOM 924 C ILE A 57 -1.535 0.150 6.330 1.00 3.44 C ATOM 925 O ILE A 57 -0.757 0.533 7.204 1.00 11.22 O ATOM 926 CB ILE A 57 -1.830 -2.268 5.789 1.00 34.12 C ATOM 927 CG1 ILE A 57 -2.659 -3.527 6.052 1.00 42.04 C ATOM 928 CG2 ILE A 57 -0.380 -2.488 6.191 1.00 44.33 C ATOM 929 CD1 ILE A 57 -2.622 -3.984 7.493 1.00 21.24 C ATOM 0 H ILE A 57 -4.161 -1.449 5.447 1.00 13.32 H new ATOM 0 HA ILE A 57 -2.450 -1.305 7.619 1.00 55.32 H new ATOM 0 HB ILE A 57 -1.862 -2.051 4.721 1.00 34.12 H new ATOM 0 HG12 ILE A 57 -3.694 -3.337 5.766 1.00 42.04 H new ATOM 0 HG13 ILE A 57 -2.294 -4.332 5.414 1.00 42.04 H new ATOM 0 HG21 ILE A 57 0.025 -3.338 5.642 1.00 44.33 H new ATOM 0 HG22 ILE A 57 0.201 -1.596 5.959 1.00 44.33 H new ATOM 0 HG23 ILE A 57 -0.325 -2.688 7.261 1.00 44.33 H new ATOM 0 HD11 ILE A 57 -3.231 -4.881 7.606 1.00 21.24 H new ATOM 0 HD12 ILE A 57 -1.594 -4.206 7.778 1.00 21.24 H new ATOM 0 HD13 ILE A 57 -3.015 -3.195 8.135 1.00 21.24 H new ATOM 941 N ALA A 58 -1.659 0.758 5.155 1.00 10.14 N ATOM 942 CA ALA A 58 -0.871 1.937 4.818 1.00 74.00 C ATOM 943 C ALA A 58 -1.184 3.095 5.761 1.00 63.41 C ATOM 944 O ALA A 58 -0.397 4.033 5.890 1.00 64.33 O ATOM 945 CB ALA A 58 -1.126 2.347 3.375 1.00 63.00 C ATOM 0 H ALA A 58 -2.298 0.453 4.420 1.00 10.14 H new ATOM 0 HA ALA A 58 0.183 1.684 4.932 1.00 74.00 H new ATOM 0 HB1 ALA A 58 -0.531 3.229 3.137 1.00 63.00 H new ATOM 0 HB2 ALA A 58 -0.846 1.530 2.710 1.00 63.00 H new ATOM 0 HB3 ALA A 58 -2.183 2.576 3.243 1.00 63.00 H new ATOM 951 N ILE A 59 -2.336 3.021 6.418 1.00 4.21 N ATOM 952 CA ILE A 59 -2.751 4.063 7.350 1.00 53.12 C ATOM 953 C ILE A 59 -2.150 3.836 8.732 1.00 33.24 C ATOM 954 O ILE A 59 -1.682 4.772 9.381 1.00 2.40 O ATOM 955 CB ILE A 59 -4.285 4.130 7.474 1.00 73.35 C ATOM 956 CG1 ILE A 59 -4.915 4.438 6.113 1.00 23.51 C ATOM 957 CG2 ILE A 59 -4.689 5.177 8.500 1.00 61.24 C ATOM 958 CD1 ILE A 59 -6.395 4.127 6.049 1.00 3.11 C ATOM 0 H ILE A 59 -2.999 2.251 6.323 1.00 4.21 H new ATOM 0 HA ILE A 59 -2.386 5.008 6.949 1.00 53.12 H new ATOM 0 HB ILE A 59 -4.650 3.160 7.812 1.00 73.35 H new ATOM 0 HG12 ILE A 59 -4.763 5.492 5.881 1.00 23.51 H new ATOM 0 HG13 ILE A 59 -4.398 3.865 5.344 1.00 23.51 H new ATOM 0 HG21 ILE A 59 -5.776 5.212 8.576 1.00 61.24 H new ATOM 0 HG22 ILE A 59 -4.266 4.918 9.470 1.00 61.24 H new ATOM 0 HG23 ILE A 59 -4.315 6.153 8.190 1.00 61.24 H new ATOM 0 HD11 ILE A 59 -6.775 4.369 5.057 1.00 3.11 H new ATOM 0 HD12 ILE A 59 -6.553 3.067 6.249 1.00 3.11 H new ATOM 0 HD13 ILE A 59 -6.924 4.720 6.795 1.00 3.11 H new ATOM 970 N THR A 60 -2.164 2.583 9.179 1.00 10.33 N ATOM 971 CA THR A 60 -1.620 2.231 10.485 1.00 52.13 C ATOM 972 C THR A 60 -0.125 1.951 10.399 1.00 41.10 C ATOM 973 O THR A 60 0.524 1.680 11.410 1.00 71.42 O ATOM 974 CB THR A 60 -2.330 0.998 11.075 1.00 65.42 C ATOM 975 OG1 THR A 60 -1.713 0.623 12.311 1.00 22.54 O ATOM 976 CG2 THR A 60 -2.281 -0.171 10.102 1.00 11.21 C ATOM 0 H THR A 60 -2.546 1.796 8.655 1.00 10.33 H new ATOM 0 HA THR A 60 -1.789 3.086 11.140 1.00 52.13 H new ATOM 0 HB THR A 60 -3.373 1.257 11.254 1.00 65.42 H new ATOM 0 HG1 THR A 60 -0.820 1.022 12.365 1.00 22.54 H new ATOM 0 HG21 THR A 60 -2.788 -1.030 10.540 1.00 11.21 H new ATOM 0 HG22 THR A 60 -2.777 0.108 9.172 1.00 11.21 H new ATOM 0 HG23 THR A 60 -1.242 -0.429 9.896 1.00 11.21 H new ATOM 984 N ARG A 61 0.418 2.018 9.188 1.00 32.23 N ATOM 985 CA ARG A 61 1.837 1.770 8.971 1.00 64.21 C ATOM 986 C ARG A 61 2.532 3.020 8.440 1.00 43.52 C ATOM 987 O ARG A 61 3.558 3.447 8.972 1.00 61.24 O ATOM 988 CB ARG A 61 2.032 0.610 7.993 1.00 52.33 C ATOM 989 CG ARG A 61 1.509 -0.719 8.512 1.00 33.11 C ATOM 990 CD ARG A 61 2.344 -1.230 9.674 1.00 21.13 C ATOM 991 NE ARG A 61 2.194 -2.670 9.864 1.00 24.32 N ATOM 992 CZ ARG A 61 2.852 -3.363 10.787 1.00 5.23 C ATOM 993 NH1 ARG A 61 3.701 -2.750 11.600 1.00 11.33 N ATOM 994 NH2 ARG A 61 2.663 -4.671 10.898 1.00 74.54 N ATOM 0 H ARG A 61 -0.105 2.242 8.341 1.00 32.23 H new ATOM 0 HA ARG A 61 2.284 1.506 9.929 1.00 64.21 H new ATOM 0 HB2 ARG A 61 1.529 0.848 7.056 1.00 52.33 H new ATOM 0 HB3 ARG A 61 3.094 0.510 7.768 1.00 52.33 H new ATOM 0 HG2 ARG A 61 0.473 -0.604 8.830 1.00 33.11 H new ATOM 0 HG3 ARG A 61 1.516 -1.454 7.707 1.00 33.11 H new ATOM 0 HD2 ARG A 61 3.394 -0.995 9.497 1.00 21.13 H new ATOM 0 HD3 ARG A 61 2.051 -0.711 10.587 1.00 21.13 H new ATOM 0 HE ARG A 61 1.548 -3.172 9.254 1.00 24.32 H new ATOM 0 HH11 ARG A 61 3.850 -1.744 11.518 1.00 11.33 H new ATOM 0 HH12 ARG A 61 4.205 -3.284 12.308 1.00 11.33 H new ATOM 0 HH21 ARG A 61 2.011 -5.147 10.274 1.00 74.54 H new ATOM 0 HH22 ARG A 61 3.169 -5.201 11.607 1.00 74.54 H new ATOM 1008 N LEU A 62 1.968 3.602 7.388 1.00 51.22 N ATOM 1009 CA LEU A 62 2.533 4.804 6.783 1.00 13.33 C ATOM 1010 C LEU A 62 1.803 6.053 7.268 1.00 71.31 C ATOM 1011 O LEU A 62 1.936 7.129 6.684 1.00 0.11 O ATOM 1012 CB LEU A 62 2.457 4.715 5.257 1.00 23.54 C ATOM 1013 CG LEU A 62 2.740 3.340 4.651 1.00 50.53 C ATOM 1014 CD1 LEU A 62 2.753 3.419 3.132 1.00 34.25 C ATOM 1015 CD2 LEU A 62 4.061 2.790 5.170 1.00 73.13 C ATOM 0 H LEU A 62 1.120 3.261 6.936 1.00 51.22 H new ATOM 0 HA LEU A 62 3.578 4.876 7.085 1.00 13.33 H new ATOM 0 HB2 LEU A 62 1.462 5.030 4.944 1.00 23.54 H new ATOM 0 HB3 LEU A 62 3.165 5.429 4.836 1.00 23.54 H new ATOM 0 HG LEU A 62 1.943 2.660 4.952 1.00 50.53 H new ATOM 0 HD11 LEU A 62 2.956 2.431 2.718 1.00 34.25 H new ATOM 0 HD12 LEU A 62 1.783 3.769 2.778 1.00 34.25 H new ATOM 0 HD13 LEU A 62 3.529 4.114 2.810 1.00 34.25 H new ATOM 0 HD21 LEU A 62 4.246 1.811 4.728 1.00 73.13 H new ATOM 0 HD22 LEU A 62 4.869 3.469 4.899 1.00 73.13 H new ATOM 0 HD23 LEU A 62 4.015 2.696 6.255 1.00 73.13 H new ATOM 1027 N LYS A 63 1.031 5.902 8.339 1.00 25.15 N ATOM 1028 CA LYS A 63 0.282 7.018 8.906 1.00 63.31 C ATOM 1029 C LYS A 63 -0.531 7.730 7.830 1.00 45.02 C ATOM 1030 O LYS A 63 -0.781 8.931 7.921 1.00 14.44 O ATOM 1031 CB LYS A 63 1.234 8.008 9.580 1.00 44.11 C ATOM 1032 CG LYS A 63 1.653 7.593 10.980 1.00 61.22 C ATOM 1033 CD LYS A 63 2.567 8.625 11.618 1.00 14.34 C ATOM 1034 CE LYS A 63 3.720 7.968 12.361 1.00 74.42 C ATOM 1035 NZ LYS A 63 4.465 8.943 13.204 1.00 12.22 N ATOM 0 H LYS A 63 0.907 5.018 8.832 1.00 25.15 H new ATOM 0 HA LYS A 63 -0.406 6.620 9.652 1.00 63.31 H new ATOM 0 HB2 LYS A 63 2.125 8.121 8.962 1.00 44.11 H new ATOM 0 HB3 LYS A 63 0.754 8.985 9.628 1.00 44.11 H new ATOM 0 HG2 LYS A 63 0.767 7.457 11.600 1.00 61.22 H new ATOM 0 HG3 LYS A 63 2.163 6.631 10.938 1.00 61.22 H new ATOM 0 HD2 LYS A 63 2.961 9.289 10.848 1.00 14.34 H new ATOM 0 HD3 LYS A 63 1.993 9.243 12.309 1.00 14.34 H new ATOM 0 HE2 LYS A 63 3.336 7.164 12.989 1.00 74.42 H new ATOM 0 HE3 LYS A 63 4.402 7.513 11.643 1.00 74.42 H new ATOM 0 HZ1 LYS A 63 5.242 8.456 13.694 1.00 12.22 H new ATOM 0 HZ2 LYS A 63 4.853 9.697 12.602 1.00 12.22 H new ATOM 0 HZ3 LYS A 63 3.820 9.359 13.906 1.00 12.22 H new ATOM 1049 N TRP A 64 -0.940 6.981 6.812 1.00 41.03 N ATOM 1050 CA TRP A 64 -1.726 7.541 5.718 1.00 1.45 C ATOM 1051 C TRP A 64 -3.098 7.990 6.209 1.00 12.31 C ATOM 1052 O TRP A 64 -3.574 7.538 7.251 1.00 41.33 O ATOM 1053 CB TRP A 64 -1.882 6.514 4.597 1.00 35.30 C ATOM 1054 CG TRP A 64 -2.463 7.089 3.340 1.00 13.24 C ATOM 1055 CD1 TRP A 64 -2.027 8.195 2.668 1.00 71.13 C ATOM 1056 CD2 TRP A 64 -3.587 6.590 2.609 1.00 34.34 C ATOM 1057 NE1 TRP A 64 -2.812 8.413 1.562 1.00 34.43 N ATOM 1058 CE2 TRP A 64 -3.777 7.441 1.503 1.00 42.44 C ATOM 1059 CE3 TRP A 64 -4.452 5.505 2.779 1.00 22.13 C ATOM 1060 CZ2 TRP A 64 -4.794 7.240 0.574 1.00 34.52 C ATOM 1061 CZ3 TRP A 64 -5.462 5.307 1.857 1.00 62.42 C ATOM 1062 CH2 TRP A 64 -5.626 6.170 0.766 1.00 33.11 C ATOM 0 H TRP A 64 -0.741 5.985 6.721 1.00 41.03 H new ATOM 0 HA TRP A 64 -1.196 8.412 5.331 1.00 1.45 H new ATOM 0 HB2 TRP A 64 -0.907 6.081 4.373 1.00 35.30 H new ATOM 0 HB3 TRP A 64 -2.520 5.701 4.945 1.00 35.30 H new ATOM 0 HD1 TRP A 64 -1.188 8.808 2.963 1.00 71.13 H new ATOM 0 HE1 TRP A 64 -2.696 9.174 0.893 1.00 34.43 H new ATOM 0 HE3 TRP A 64 -4.333 4.833 3.616 1.00 22.13 H new ATOM 0 HZ2 TRP A 64 -4.922 7.904 -0.268 1.00 34.52 H new ATOM 0 HZ3 TRP A 64 -6.137 4.473 1.980 1.00 62.42 H new ATOM 0 HH2 TRP A 64 -6.425 5.988 0.062 1.00 33.11 H new ATOM 1073 N VAL A 65 -3.730 8.882 5.452 1.00 1.25 N ATOM 1074 CA VAL A 65 -5.049 9.391 5.810 1.00 60.34 C ATOM 1075 C VAL A 65 -5.852 9.756 4.568 1.00 70.14 C ATOM 1076 O VAL A 65 -5.429 10.586 3.764 1.00 4.03 O ATOM 1077 CB VAL A 65 -4.945 10.626 6.722 1.00 0.50 C ATOM 1078 CG1 VAL A 65 -4.540 10.219 8.131 1.00 2.31 C ATOM 1079 CG2 VAL A 65 -3.960 11.633 6.146 1.00 14.23 C ATOM 0 H VAL A 65 -3.350 9.267 4.587 1.00 1.25 H new ATOM 0 HA VAL A 65 -5.561 8.593 6.349 1.00 60.34 H new ATOM 0 HB VAL A 65 -5.925 11.099 6.774 1.00 0.50 H new ATOM 0 HG11 VAL A 65 -4.472 11.106 8.761 1.00 2.31 H new ATOM 0 HG12 VAL A 65 -5.286 9.539 8.542 1.00 2.31 H new ATOM 0 HG13 VAL A 65 -3.571 9.720 8.101 1.00 2.31 H new ATOM 0 HG21 VAL A 65 -3.899 12.500 6.804 1.00 14.23 H new ATOM 0 HG22 VAL A 65 -2.976 11.172 6.061 1.00 14.23 H new ATOM 0 HG23 VAL A 65 -4.298 11.949 5.159 1.00 14.23 H new ATOM 1089 N GLU A 66 -7.015 9.128 4.415 1.00 13.43 N ATOM 1090 CA GLU A 66 -7.878 9.388 3.270 1.00 50.32 C ATOM 1091 C GLU A 66 -8.124 10.885 3.101 1.00 24.23 C ATOM 1092 O GLU A 66 -8.014 11.667 4.045 1.00 10.52 O ATOM 1093 CB GLU A 66 -9.212 8.656 3.431 1.00 11.32 C ATOM 1094 CG GLU A 66 -9.809 8.779 4.823 1.00 55.34 C ATOM 1095 CD GLU A 66 -9.551 7.555 5.679 1.00 43.41 C ATOM 1096 OE1 GLU A 66 -10.305 6.568 5.546 1.00 54.43 O ATOM 1097 OE2 GLU A 66 -8.596 7.583 6.483 1.00 41.12 O ATOM 0 H GLU A 66 -7.380 8.436 5.070 1.00 13.43 H new ATOM 0 HA GLU A 66 -7.374 9.018 2.377 1.00 50.32 H new ATOM 0 HB2 GLU A 66 -9.923 9.049 2.704 1.00 11.32 H new ATOM 0 HB3 GLU A 66 -9.068 7.601 3.198 1.00 11.32 H new ATOM 0 HG2 GLU A 66 -9.392 9.657 5.316 1.00 55.34 H new ATOM 0 HG3 GLU A 66 -10.884 8.940 4.740 1.00 55.34 H new ATOM 1104 N PRO A 67 -8.465 11.294 1.871 1.00 73.35 N ATOM 1105 CA PRO A 67 -8.734 12.698 1.549 1.00 53.44 C ATOM 1106 C PRO A 67 -10.028 13.200 2.180 1.00 41.34 C ATOM 1107 O PRO A 67 -10.347 14.387 2.103 1.00 31.32 O ATOM 1108 CB PRO A 67 -8.850 12.696 0.022 1.00 23.01 C ATOM 1109 CG PRO A 67 -9.262 11.308 -0.326 1.00 33.04 C ATOM 1110 CD PRO A 67 -8.616 10.415 0.697 1.00 3.32 C ATOM 0 HA PRO A 67 -7.956 13.360 1.931 1.00 53.44 H new ATOM 0 HB2 PRO A 67 -9.585 13.424 -0.320 1.00 23.01 H new ATOM 0 HB3 PRO A 67 -7.901 12.956 -0.447 1.00 23.01 H new ATOM 0 HG2 PRO A 67 -10.347 11.206 -0.304 1.00 33.04 H new ATOM 0 HG3 PRO A 67 -8.938 11.046 -1.333 1.00 33.04 H new ATOM 0 HD2 PRO A 67 -9.236 9.547 0.922 1.00 3.32 H new ATOM 0 HD3 PRO A 67 -7.654 10.038 0.351 1.00 3.32 H new TER 1118 PRO A 67