USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=8 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+ -126:sc= -0.284 (180deg=-1.55!) 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= -0.059 X(o=-0.059,f=-0.53) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -139:sc= -0.243 (180deg=-1.73!) 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 8:sc= 1.27 USER MOD Single : A 37 THR OG1 : rot 6:sc= 1.1 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.970 -6.854 14.291 1.00 60.42 N ATOM 2 CA GLY A 1 -13.965 -6.770 15.740 1.00 12.51 C ATOM 3 C GLY A 1 -14.925 -7.751 16.381 1.00 34.54 C ATOM 4 O GLY A 1 -14.522 -8.773 16.938 1.00 72.04 O ATOM 0 H1 GLY A 1 -12.999 -7.001 13.948 1.00 60.42 H new ATOM 0 H2 GLY A 1 -14.567 -7.651 13.992 1.00 60.42 H new ATOM 0 H3 GLY A 1 -14.347 -5.970 13.893 1.00 60.42 H new ATOM 0 HA2 GLY A 1 -12.957 -6.960 16.108 1.00 12.51 H new ATOM 0 HA3 GLY A 1 -14.230 -5.757 16.043 1.00 12.51 H new ATOM 8 N PRO A 2 -16.229 -7.444 16.310 1.00 53.42 N ATOM 9 CA PRO A 2 -17.276 -8.294 16.884 1.00 42.01 C ATOM 10 C PRO A 2 -17.443 -9.603 16.121 1.00 61.43 C ATOM 11 O PRO A 2 -17.857 -10.615 16.687 1.00 30.21 O ATOM 12 CB PRO A 2 -18.538 -7.436 16.758 1.00 73.43 C ATOM 13 CG PRO A 2 -18.259 -6.517 15.619 1.00 11.13 C ATOM 14 CD PRO A 2 -16.781 -6.242 15.661 1.00 22.11 C ATOM 0 HA PRO A 2 -17.046 -8.590 17.908 1.00 42.01 H new ATOM 0 HB2 PRO A 2 -19.417 -8.051 16.564 1.00 73.43 H new ATOM 0 HB3 PRO A 2 -18.733 -6.881 17.676 1.00 73.43 H new ATOM 0 HG2 PRO A 2 -18.544 -6.973 14.671 1.00 11.13 H new ATOM 0 HG3 PRO A 2 -18.831 -5.594 15.714 1.00 11.13 H new ATOM 0 HD2 PRO A 2 -16.370 -6.100 14.661 1.00 22.11 H new ATOM 0 HD3 PRO A 2 -16.556 -5.339 16.229 1.00 22.11 H new ATOM 22 N LEU A 3 -17.117 -9.577 14.832 1.00 22.32 N ATOM 23 CA LEU A 3 -17.230 -10.764 13.991 1.00 14.01 C ATOM 24 C LEU A 3 -16.167 -11.795 14.357 1.00 73.12 C ATOM 25 O LEU A 3 -16.484 -12.929 14.712 1.00 30.33 O ATOM 26 CB LEU A 3 -17.099 -10.381 12.516 1.00 73.53 C ATOM 27 CG LEU A 3 -18.260 -10.795 11.610 1.00 40.41 C ATOM 28 CD1 LEU A 3 -18.468 -12.300 11.663 1.00 33.22 C ATOM 29 CD2 LEU A 3 -19.533 -10.063 12.006 1.00 12.35 C ATOM 0 H LEU A 3 -16.773 -8.748 14.348 1.00 22.32 H new ATOM 0 HA LEU A 3 -18.212 -11.207 14.160 1.00 14.01 H new ATOM 0 HB2 LEU A 3 -16.981 -9.299 12.451 1.00 73.53 H new ATOM 0 HB3 LEU A 3 -16.183 -10.825 12.126 1.00 73.53 H new ATOM 0 HG LEU A 3 -18.012 -10.520 10.585 1.00 40.41 H new ATOM 0 HD11 LEU A 3 -19.298 -12.576 11.012 1.00 33.22 H new ATOM 0 HD12 LEU A 3 -17.562 -12.805 11.329 1.00 33.22 H new ATOM 0 HD13 LEU A 3 -18.694 -12.600 12.686 1.00 33.22 H new ATOM 0 HD21 LEU A 3 -20.348 -10.370 11.351 1.00 12.35 H new ATOM 0 HD22 LEU A 3 -19.786 -10.306 13.038 1.00 12.35 H new ATOM 0 HD23 LEU A 3 -19.378 -8.988 11.913 1.00 12.35 H new ATOM 41 N GLY A 4 -14.904 -11.391 14.270 1.00 70.10 N ATOM 42 CA GLY A 4 -13.813 -12.291 14.597 1.00 43.24 C ATOM 43 C GLY A 4 -12.520 -11.912 13.901 1.00 54.22 C ATOM 44 O GLY A 4 -12.184 -10.733 13.801 1.00 55.53 O ATOM 0 H GLY A 4 -14.616 -10.457 13.979 1.00 70.10 H new ATOM 0 HA2 GLY A 4 -13.655 -12.289 15.676 1.00 43.24 H new ATOM 0 HA3 GLY A 4 -14.088 -13.308 14.317 1.00 43.24 H new ATOM 48 N SER A 5 -11.793 -12.915 13.420 1.00 11.21 N ATOM 49 CA SER A 5 -10.527 -12.682 12.734 1.00 12.24 C ATOM 50 C SER A 5 -10.424 -13.540 11.477 1.00 33.31 C ATOM 51 O SER A 5 -10.545 -14.764 11.535 1.00 44.01 O ATOM 52 CB SER A 5 -9.354 -12.983 13.669 1.00 34.34 C ATOM 53 OG SER A 5 -8.248 -13.497 12.949 1.00 45.32 O ATOM 0 H SER A 5 -12.059 -13.897 13.493 1.00 11.21 H new ATOM 0 HA SER A 5 -10.489 -11.633 12.440 1.00 12.24 H new ATOM 0 HB2 SER A 5 -9.060 -12.074 14.193 1.00 34.34 H new ATOM 0 HB3 SER A 5 -9.664 -13.702 14.427 1.00 34.34 H new ATOM 0 HG SER A 5 -7.511 -13.680 13.568 1.00 45.32 H new ATOM 59 N VAL A 6 -10.200 -12.888 10.340 1.00 3.11 N ATOM 60 CA VAL A 6 -10.079 -13.590 9.068 1.00 31.33 C ATOM 61 C VAL A 6 -8.676 -14.160 8.886 1.00 33.33 C ATOM 62 O VAL A 6 -7.800 -13.958 9.725 1.00 31.54 O ATOM 63 CB VAL A 6 -10.402 -12.662 7.883 1.00 55.32 C ATOM 64 CG1 VAL A 6 -11.821 -12.125 7.995 1.00 41.50 C ATOM 65 CG2 VAL A 6 -9.397 -11.522 7.809 1.00 51.01 C ATOM 0 H VAL A 6 -10.099 -11.875 10.274 1.00 3.11 H new ATOM 0 HA VAL A 6 -10.800 -14.407 9.087 1.00 31.33 H new ATOM 0 HB VAL A 6 -10.330 -13.241 6.962 1.00 55.32 H new ATOM 0 HG11 VAL A 6 -12.030 -11.471 7.148 1.00 41.50 H new ATOM 0 HG12 VAL A 6 -12.526 -12.956 7.994 1.00 41.50 H new ATOM 0 HG13 VAL A 6 -11.925 -11.562 8.923 1.00 41.50 H new ATOM 0 HG21 VAL A 6 -9.641 -10.876 6.965 1.00 51.01 H new ATOM 0 HG22 VAL A 6 -9.435 -10.943 8.732 1.00 51.01 H new ATOM 0 HG23 VAL A 6 -8.394 -11.929 7.677 1.00 51.01 H new ATOM 75 N ALA A 7 -8.472 -14.872 7.782 1.00 4.22 N ATOM 76 CA ALA A 7 -7.175 -15.469 7.488 1.00 32.12 C ATOM 77 C ALA A 7 -6.168 -14.408 7.059 1.00 64.00 C ATOM 78 O ALA A 7 -6.254 -13.863 5.959 1.00 41.01 O ATOM 79 CB ALA A 7 -7.317 -16.532 6.410 1.00 73.23 C ATOM 0 H ALA A 7 -9.188 -15.049 7.077 1.00 4.22 H new ATOM 0 HA ALA A 7 -6.803 -15.938 8.399 1.00 32.12 H new ATOM 0 HB1 ALA A 7 -6.341 -16.970 6.200 1.00 73.23 H new ATOM 0 HB2 ALA A 7 -7.998 -17.311 6.754 1.00 73.23 H new ATOM 0 HB3 ALA A 7 -7.714 -16.078 5.502 1.00 73.23 H new ATOM 85 N LYS A 8 -5.211 -14.119 7.935 1.00 70.42 N ATOM 86 CA LYS A 8 -4.185 -13.124 7.647 1.00 25.44 C ATOM 87 C LYS A 8 -2.790 -13.721 7.800 1.00 64.12 C ATOM 88 O LYS A 8 -2.360 -14.050 8.907 1.00 75.32 O ATOM 89 CB LYS A 8 -4.340 -11.918 8.578 1.00 64.45 C ATOM 90 CG LYS A 8 -5.165 -10.792 7.981 1.00 44.14 C ATOM 91 CD LYS A 8 -6.253 -10.331 8.935 1.00 31.31 C ATOM 92 CE LYS A 8 -5.669 -9.610 10.140 1.00 22.32 C ATOM 93 NZ LYS A 8 -6.727 -8.966 10.967 1.00 4.13 N ATOM 0 H LYS A 8 -5.125 -14.560 8.851 1.00 70.42 H new ATOM 0 HA LYS A 8 -4.310 -12.798 6.615 1.00 25.44 H new ATOM 0 HB2 LYS A 8 -4.805 -12.245 9.508 1.00 64.45 H new ATOM 0 HB3 LYS A 8 -3.351 -11.537 8.833 1.00 64.45 H new ATOM 0 HG2 LYS A 8 -4.514 -9.952 7.737 1.00 44.14 H new ATOM 0 HG3 LYS A 8 -5.617 -11.126 7.047 1.00 44.14 H new ATOM 0 HD2 LYS A 8 -6.941 -9.667 8.411 1.00 31.31 H new ATOM 0 HD3 LYS A 8 -6.833 -11.191 9.270 1.00 31.31 H new ATOM 0 HE2 LYS A 8 -5.111 -10.319 10.752 1.00 22.32 H new ATOM 0 HE3 LYS A 8 -4.961 -8.853 9.802 1.00 22.32 H new ATOM 0 HZ1 LYS A 8 -6.289 -8.485 11.778 1.00 4.13 H new ATOM 0 HZ2 LYS A 8 -7.243 -8.271 10.391 1.00 4.13 H new ATOM 0 HZ3 LYS A 8 -7.389 -9.691 11.310 1.00 4.13 H new ATOM 107 N LYS A 9 -2.084 -13.858 6.682 1.00 51.41 N ATOM 108 CA LYS A 9 -0.736 -14.413 6.691 1.00 45.02 C ATOM 109 C LYS A 9 0.257 -13.442 6.059 1.00 10.12 C ATOM 110 O LYS A 9 1.098 -13.838 5.252 1.00 43.52 O ATOM 111 CB LYS A 9 -0.706 -15.747 5.943 1.00 71.14 C ATOM 112 CG LYS A 9 -1.520 -16.840 6.616 1.00 42.32 C ATOM 113 CD LYS A 9 -0.631 -17.811 7.373 1.00 62.01 C ATOM 114 CE LYS A 9 -0.488 -17.413 8.834 1.00 22.22 C ATOM 115 NZ LYS A 9 -1.688 -17.791 9.631 1.00 31.02 N ATOM 0 H LYS A 9 -2.424 -13.592 5.758 1.00 51.41 H new ATOM 0 HA LYS A 9 -0.446 -14.578 7.729 1.00 45.02 H new ATOM 0 HB2 LYS A 9 -1.083 -15.595 4.931 1.00 71.14 H new ATOM 0 HB3 LYS A 9 0.328 -16.080 5.851 1.00 71.14 H new ATOM 0 HG2 LYS A 9 -2.237 -16.390 7.303 1.00 42.32 H new ATOM 0 HG3 LYS A 9 -2.095 -17.382 5.865 1.00 42.32 H new ATOM 0 HD2 LYS A 9 -1.049 -18.815 7.308 1.00 62.01 H new ATOM 0 HD3 LYS A 9 0.353 -17.845 6.906 1.00 62.01 H new ATOM 0 HE2 LYS A 9 0.395 -17.893 9.257 1.00 22.22 H new ATOM 0 HE3 LYS A 9 -0.330 -16.337 8.904 1.00 22.22 H new ATOM 0 HZ1 LYS A 9 -1.552 -17.503 10.621 1.00 31.02 H new ATOM 0 HZ2 LYS A 9 -2.527 -17.313 9.244 1.00 31.02 H new ATOM 0 HZ3 LYS A 9 -1.825 -18.821 9.586 1.00 31.02 H new ATOM 129 N ILE A 10 0.153 -12.170 6.431 1.00 33.31 N ATOM 130 CA ILE A 10 1.043 -11.145 5.902 1.00 52.11 C ATOM 131 C ILE A 10 1.800 -10.443 7.024 1.00 44.43 C ATOM 132 O ILE A 10 1.200 -9.820 7.901 1.00 63.44 O ATOM 133 CB ILE A 10 0.268 -10.094 5.085 1.00 13.32 C ATOM 134 CG1 ILE A 10 -0.479 -10.763 3.930 1.00 45.13 C ATOM 135 CG2 ILE A 10 1.216 -9.025 4.563 1.00 43.31 C ATOM 136 CD1 ILE A 10 0.433 -11.468 2.950 1.00 62.13 C ATOM 0 H ILE A 10 -0.539 -11.825 7.097 1.00 33.31 H new ATOM 0 HA ILE A 10 1.754 -11.650 5.248 1.00 52.11 H new ATOM 0 HB ILE A 10 -0.464 -9.616 5.736 1.00 13.32 H new ATOM 0 HG12 ILE A 10 -1.189 -11.483 4.336 1.00 45.13 H new ATOM 0 HG13 ILE A 10 -1.059 -10.009 3.397 1.00 45.13 H new ATOM 0 HG21 ILE A 10 0.654 -8.290 3.988 1.00 43.31 H new ATOM 0 HG22 ILE A 10 1.706 -8.532 5.403 1.00 43.31 H new ATOM 0 HG23 ILE A 10 1.969 -9.487 3.924 1.00 43.31 H new ATOM 0 HD11 ILE A 10 -0.164 -11.920 2.158 1.00 62.13 H new ATOM 0 HD12 ILE A 10 1.127 -10.748 2.516 1.00 62.13 H new ATOM 0 HD13 ILE A 10 0.994 -12.245 3.469 1.00 62.13 H new ATOM 148 N THR A 11 3.126 -10.544 6.990 1.00 61.50 N ATOM 149 CA THR A 11 3.967 -9.920 8.002 1.00 31.21 C ATOM 150 C THR A 11 4.551 -8.605 7.497 1.00 24.24 C ATOM 151 O THR A 11 5.590 -8.590 6.838 1.00 51.32 O ATOM 152 CB THR A 11 5.119 -10.849 8.429 1.00 63.44 C ATOM 153 OG1 THR A 11 4.595 -12.108 8.868 1.00 2.33 O ATOM 154 CG2 THR A 11 5.940 -10.219 9.543 1.00 51.13 C ATOM 0 H THR A 11 3.640 -11.053 6.271 1.00 61.50 H new ATOM 0 HA THR A 11 3.330 -9.725 8.864 1.00 31.21 H new ATOM 0 HB THR A 11 5.768 -11.006 7.567 1.00 63.44 H new ATOM 0 HG1 THR A 11 5.333 -12.694 9.136 1.00 2.33 H new ATOM 0 HG21 THR A 11 6.747 -10.894 9.827 1.00 51.13 H new ATOM 0 HG22 THR A 11 6.361 -9.276 9.196 1.00 51.13 H new ATOM 0 HG23 THR A 11 5.301 -10.035 10.406 1.00 51.13 H new ATOM 162 N TRP A 12 3.877 -7.505 7.811 1.00 25.13 N ATOM 163 CA TRP A 12 4.331 -6.185 7.389 1.00 54.53 C ATOM 164 C TRP A 12 5.595 -5.778 8.136 1.00 63.31 C ATOM 165 O TRP A 12 5.561 -5.525 9.341 1.00 63.30 O ATOM 166 CB TRP A 12 3.231 -5.147 7.621 1.00 13.44 C ATOM 167 CG TRP A 12 2.119 -5.224 6.619 1.00 43.03 C ATOM 168 CD1 TRP A 12 0.834 -5.626 6.848 1.00 5.33 C ATOM 169 CD2 TRP A 12 2.196 -4.893 5.228 1.00 52.22 C ATOM 170 NE1 TRP A 12 0.108 -5.565 5.684 1.00 51.13 N ATOM 171 CE2 TRP A 12 0.919 -5.117 4.676 1.00 31.10 C ATOM 172 CE3 TRP A 12 3.217 -4.427 4.395 1.00 21.44 C ATOM 173 CZ2 TRP A 12 0.641 -4.892 3.331 1.00 74.34 C ATOM 174 CZ3 TRP A 12 2.939 -4.204 3.060 1.00 53.21 C ATOM 175 CH2 TRP A 12 1.659 -4.435 2.538 1.00 24.43 C ATOM 0 H TRP A 12 3.015 -7.501 8.356 1.00 25.13 H new ATOM 0 HA TRP A 12 4.560 -6.231 6.324 1.00 54.53 H new ATOM 0 HB2 TRP A 12 2.819 -5.282 8.621 1.00 13.44 H new ATOM 0 HB3 TRP A 12 3.670 -4.150 7.589 1.00 13.44 H new ATOM 0 HD1 TRP A 12 0.446 -5.945 7.804 1.00 5.33 H new ATOM 0 HE1 TRP A 12 -0.876 -5.813 5.586 1.00 51.13 H new ATOM 0 HE3 TRP A 12 4.206 -4.244 4.788 1.00 21.44 H new ATOM 0 HZ2 TRP A 12 -0.344 -5.072 2.927 1.00 74.34 H new ATOM 0 HZ3 TRP A 12 3.721 -3.846 2.408 1.00 53.21 H new ATOM 0 HH2 TRP A 12 1.472 -4.249 1.491 1.00 24.43 H new ATOM 186 N ARG A 13 6.710 -5.719 7.415 1.00 30.23 N ATOM 187 CA ARG A 13 7.987 -5.345 8.012 1.00 11.41 C ATOM 188 C ARG A 13 8.227 -3.843 7.885 1.00 43.02 C ATOM 189 O ARG A 13 7.733 -3.200 6.957 1.00 23.53 O ATOM 190 CB ARG A 13 9.130 -6.113 7.346 1.00 51.35 C ATOM 191 CG ARG A 13 9.070 -7.614 7.575 1.00 2.15 C ATOM 192 CD ARG A 13 10.277 -8.106 8.358 1.00 11.24 C ATOM 193 NE ARG A 13 11.535 -7.727 7.720 1.00 21.11 N ATOM 194 CZ ARG A 13 12.713 -7.778 8.331 1.00 2.31 C ATOM 195 NH1 ARG A 13 12.795 -8.190 9.589 1.00 13.31 N ATOM 196 NH2 ARG A 13 13.814 -7.417 7.684 1.00 53.03 N ATOM 0 H ARG A 13 6.755 -5.925 6.417 1.00 30.23 H new ATOM 0 HA ARG A 13 7.954 -5.602 9.071 1.00 11.41 H new ATOM 0 HB2 ARG A 13 9.112 -5.917 6.274 1.00 51.35 H new ATOM 0 HB3 ARG A 13 10.080 -5.734 7.724 1.00 51.35 H new ATOM 0 HG2 ARG A 13 8.157 -7.865 8.116 1.00 2.15 H new ATOM 0 HG3 ARG A 13 9.023 -8.128 6.615 1.00 2.15 H new ATOM 0 HD2 ARG A 13 10.245 -7.697 9.368 1.00 11.24 H new ATOM 0 HD3 ARG A 13 10.231 -9.191 8.452 1.00 11.24 H new ATOM 0 HE ARG A 13 11.507 -7.406 6.752 1.00 21.11 H new ATOM 0 HH11 ARG A 13 11.952 -8.469 10.090 1.00 13.31 H new ATOM 0 HH12 ARG A 13 13.701 -8.228 10.055 1.00 13.31 H new ATOM 0 HH21 ARG A 13 13.756 -7.100 6.716 1.00 53.03 H new ATOM 0 HH22 ARG A 13 14.718 -7.457 8.154 1.00 53.03 H new ATOM 210 N LYS A 14 8.987 -3.289 8.823 1.00 54.31 N ATOM 211 CA LYS A 14 9.294 -1.863 8.817 1.00 72.42 C ATOM 212 C LYS A 14 9.943 -1.453 7.499 1.00 5.52 C ATOM 213 O LYS A 14 9.613 -0.409 6.934 1.00 64.31 O ATOM 214 CB LYS A 14 10.221 -1.515 9.985 1.00 75.13 C ATOM 215 CG LYS A 14 10.456 -0.023 10.150 1.00 71.52 C ATOM 216 CD LYS A 14 9.497 0.584 11.159 1.00 75.34 C ATOM 217 CE LYS A 14 8.391 1.371 10.472 1.00 14.22 C ATOM 218 NZ LYS A 14 7.605 2.184 11.441 1.00 33.01 N ATOM 0 H LYS A 14 9.402 -3.806 9.598 1.00 54.31 H new ATOM 0 HA LYS A 14 8.359 -1.314 8.928 1.00 72.42 H new ATOM 0 HB2 LYS A 14 9.795 -1.912 10.907 1.00 75.13 H new ATOM 0 HB3 LYS A 14 11.180 -2.011 9.837 1.00 75.13 H new ATOM 0 HG2 LYS A 14 11.483 0.151 10.472 1.00 71.52 H new ATOM 0 HG3 LYS A 14 10.335 0.474 9.187 1.00 71.52 H new ATOM 0 HD2 LYS A 14 9.058 -0.207 11.767 1.00 75.34 H new ATOM 0 HD3 LYS A 14 10.045 1.240 11.835 1.00 75.34 H new ATOM 0 HE2 LYS A 14 8.826 2.026 9.717 1.00 14.22 H new ATOM 0 HE3 LYS A 14 7.725 0.683 9.951 1.00 14.22 H new ATOM 0 HZ1 LYS A 14 6.861 2.705 10.934 1.00 33.01 H new ATOM 0 HZ2 LYS A 14 7.169 1.557 12.147 1.00 33.01 H new ATOM 0 HZ3 LYS A 14 8.235 2.858 11.920 1.00 33.01 H new ATOM 232 N GLN A 15 10.865 -2.278 7.016 1.00 34.30 N ATOM 233 CA GLN A 15 11.559 -2.000 5.764 1.00 41.24 C ATOM 234 C GLN A 15 10.619 -2.159 4.574 1.00 54.34 C ATOM 235 O GLN A 15 10.746 -1.455 3.571 1.00 52.30 O ATOM 236 CB GLN A 15 12.763 -2.929 5.606 1.00 42.10 C ATOM 237 CG GLN A 15 13.430 -2.834 4.243 1.00 61.35 C ATOM 238 CD GLN A 15 14.941 -2.754 4.338 1.00 65.23 C ATOM 239 OE1 GLN A 15 15.547 -3.305 5.257 1.00 73.20 O ATOM 240 NE2 GLN A 15 15.559 -2.067 3.384 1.00 4.02 N ATOM 0 H GLN A 15 11.149 -3.145 7.472 1.00 34.30 H new ATOM 0 HA GLN A 15 11.908 -0.968 5.793 1.00 41.24 H new ATOM 0 HB2 GLN A 15 13.496 -2.694 6.377 1.00 42.10 H new ATOM 0 HB3 GLN A 15 12.442 -3.957 5.774 1.00 42.10 H new ATOM 0 HG2 GLN A 15 13.153 -3.702 3.646 1.00 61.35 H new ATOM 0 HG3 GLN A 15 13.055 -1.954 3.720 1.00 61.35 H new ATOM 0 HE21 GLN A 15 15.017 -1.626 2.641 1.00 4.02 H new ATOM 0 HE22 GLN A 15 16.575 -1.980 3.395 1.00 4.02 H new ATOM 249 N ASP A 16 9.676 -3.087 4.690 1.00 24.15 N ATOM 250 CA ASP A 16 8.714 -3.339 3.624 1.00 12.11 C ATOM 251 C ASP A 16 7.816 -2.125 3.404 1.00 22.00 C ATOM 252 O ASP A 16 7.508 -1.764 2.267 1.00 21.34 O ATOM 253 CB ASP A 16 7.862 -4.565 3.955 1.00 73.33 C ATOM 254 CG ASP A 16 8.374 -5.825 3.283 1.00 1.23 C ATOM 255 OD1 ASP A 16 8.847 -5.732 2.131 1.00 34.52 O ATOM 256 OD2 ASP A 16 8.304 -6.902 3.911 1.00 0.52 O ATOM 0 H ASP A 16 9.557 -3.678 5.513 1.00 24.15 H new ATOM 0 HA ASP A 16 9.269 -3.530 2.706 1.00 12.11 H new ATOM 0 HB2 ASP A 16 7.847 -4.713 5.035 1.00 73.33 H new ATOM 0 HB3 ASP A 16 6.833 -4.383 3.644 1.00 73.33 H new ATOM 261 N LEU A 17 7.399 -1.498 4.499 1.00 30.53 N ATOM 262 CA LEU A 17 6.536 -0.325 4.428 1.00 74.13 C ATOM 263 C LEU A 17 7.250 0.835 3.741 1.00 13.55 C ATOM 264 O LEU A 17 6.612 1.712 3.159 1.00 33.40 O ATOM 265 CB LEU A 17 6.091 0.092 5.831 1.00 64.14 C ATOM 266 CG LEU A 17 4.753 -0.473 6.306 1.00 13.53 C ATOM 267 CD1 LEU A 17 3.606 0.127 5.508 1.00 41.15 C ATOM 268 CD2 LEU A 17 4.744 -1.990 6.196 1.00 62.32 C ATOM 0 H LEU A 17 7.645 -1.783 5.447 1.00 30.53 H new ATOM 0 HA LEU A 17 5.657 -0.586 3.839 1.00 74.13 H new ATOM 0 HB2 LEU A 17 6.862 -0.210 6.540 1.00 64.14 H new ATOM 0 HB3 LEU A 17 6.036 1.180 5.864 1.00 64.14 H new ATOM 0 HG LEU A 17 4.620 -0.204 7.354 1.00 13.53 H new ATOM 0 HD11 LEU A 17 2.662 -0.287 5.861 1.00 41.15 H new ATOM 0 HD12 LEU A 17 3.599 1.209 5.639 1.00 41.15 H new ATOM 0 HD13 LEU A 17 3.734 -0.110 4.452 1.00 41.15 H new ATOM 0 HD21 LEU A 17 3.783 -2.374 6.539 1.00 62.32 H new ATOM 0 HD22 LEU A 17 4.901 -2.280 5.157 1.00 62.32 H new ATOM 0 HD23 LEU A 17 5.541 -2.404 6.813 1.00 62.32 H new ATOM 280 N ASP A 18 8.576 0.832 3.814 1.00 12.31 N ATOM 281 CA ASP A 18 9.378 1.883 3.197 1.00 52.32 C ATOM 282 C ASP A 18 9.087 1.981 1.702 1.00 4.51 C ATOM 283 O ASP A 18 8.795 3.060 1.187 1.00 54.50 O ATOM 284 CB ASP A 18 10.867 1.617 3.423 1.00 21.23 C ATOM 285 CG ASP A 18 11.663 2.895 3.599 1.00 51.22 C ATOM 286 OD1 ASP A 18 11.102 3.873 4.137 1.00 43.24 O ATOM 287 OD2 ASP A 18 12.846 2.918 3.199 1.00 70.14 O ATOM 0 H ASP A 18 9.119 0.114 4.294 1.00 12.31 H new ATOM 0 HA ASP A 18 9.112 2.831 3.664 1.00 52.32 H new ATOM 0 HB2 ASP A 18 10.991 0.990 4.306 1.00 21.23 H new ATOM 0 HB3 ASP A 18 11.266 1.058 2.577 1.00 21.23 H new ATOM 292 N ARG A 19 9.172 0.848 1.013 1.00 53.51 N ATOM 293 CA ARG A 19 8.920 0.808 -0.422 1.00 74.24 C ATOM 294 C ARG A 19 7.470 1.168 -0.731 1.00 13.54 C ATOM 295 O ARG A 19 7.190 1.906 -1.678 1.00 32.14 O ATOM 296 CB ARG A 19 9.240 -0.580 -0.979 1.00 25.44 C ATOM 297 CG ARG A 19 9.918 -0.551 -2.339 1.00 52.52 C ATOM 298 CD ARG A 19 10.585 -1.879 -2.659 1.00 63.11 C ATOM 299 NE ARG A 19 11.907 -1.697 -3.253 1.00 22.23 N ATOM 300 CZ ARG A 19 12.821 -2.660 -3.320 1.00 12.54 C ATOM 301 NH1 ARG A 19 12.557 -3.864 -2.833 1.00 34.32 N ATOM 302 NH2 ARG A 19 14.001 -2.418 -3.876 1.00 22.35 N ATOM 0 H ARG A 19 9.413 -0.053 1.425 1.00 53.51 H new ATOM 0 HA ARG A 19 9.568 1.543 -0.899 1.00 74.24 H new ATOM 0 HB2 ARG A 19 9.883 -1.106 -0.273 1.00 25.44 H new ATOM 0 HB3 ARG A 19 8.316 -1.153 -1.056 1.00 25.44 H new ATOM 0 HG2 ARG A 19 9.182 -0.318 -3.108 1.00 52.52 H new ATOM 0 HG3 ARG A 19 10.662 0.245 -2.358 1.00 52.52 H new ATOM 0 HD2 ARG A 19 10.675 -2.469 -1.747 1.00 63.11 H new ATOM 0 HD3 ARG A 19 9.954 -2.446 -3.344 1.00 63.11 H new ATOM 0 HE ARG A 19 12.142 -0.782 -3.637 1.00 22.23 H new ATOM 0 HH11 ARG A 19 11.651 -4.054 -2.405 1.00 34.32 H new ATOM 0 HH12 ARG A 19 13.260 -4.601 -2.886 1.00 34.32 H new ATOM 0 HH21 ARG A 19 14.207 -1.493 -4.252 1.00 22.35 H new ATOM 0 HH22 ARG A 19 14.702 -3.157 -3.927 1.00 22.35 H new ATOM 316 N LEU A 20 6.552 0.645 0.072 1.00 32.53 N ATOM 317 CA LEU A 20 5.130 0.911 -0.114 1.00 34.44 C ATOM 318 C LEU A 20 4.857 2.410 -0.161 1.00 41.14 C ATOM 319 O LEU A 20 3.901 2.860 -0.794 1.00 2.01 O ATOM 320 CB LEU A 20 4.318 0.269 1.013 1.00 34.05 C ATOM 321 CG LEU A 20 2.797 0.359 0.881 1.00 45.32 C ATOM 322 CD1 LEU A 20 2.303 -0.553 -0.231 1.00 52.53 C ATOM 323 CD2 LEU A 20 2.125 0.008 2.200 1.00 72.11 C ATOM 0 H LEU A 20 6.767 0.033 0.860 1.00 32.53 H new ATOM 0 HA LEU A 20 4.827 0.475 -1.066 1.00 34.44 H new ATOM 0 HB2 LEU A 20 4.595 -0.783 1.079 1.00 34.05 H new ATOM 0 HB3 LEU A 20 4.609 0.735 1.954 1.00 34.05 H new ATOM 0 HG LEU A 20 2.534 1.385 0.625 1.00 45.32 H new ATOM 0 HD11 LEU A 20 1.219 -0.476 -0.310 1.00 52.53 H new ATOM 0 HD12 LEU A 20 2.758 -0.255 -1.175 1.00 52.53 H new ATOM 0 HD13 LEU A 20 2.578 -1.583 -0.006 1.00 52.53 H new ATOM 0 HD21 LEU A 20 1.043 0.077 2.087 1.00 72.11 H new ATOM 0 HD22 LEU A 20 2.395 -1.008 2.487 1.00 72.11 H new ATOM 0 HD23 LEU A 20 2.454 0.703 2.972 1.00 72.11 H new ATOM 335 N LYS A 21 5.706 3.182 0.509 1.00 22.14 N ATOM 336 CA LYS A 21 5.561 4.633 0.542 1.00 72.33 C ATOM 337 C LYS A 21 6.037 5.256 -0.766 1.00 43.32 C ATOM 338 O LYS A 21 5.394 6.156 -1.305 1.00 71.53 O ATOM 339 CB LYS A 21 6.350 5.218 1.716 1.00 13.11 C ATOM 340 CG LYS A 21 5.997 6.663 2.024 1.00 1.22 C ATOM 341 CD LYS A 21 7.226 7.465 2.416 1.00 41.23 C ATOM 342 CE LYS A 21 7.395 7.527 3.926 1.00 43.32 C ATOM 343 NZ LYS A 21 7.146 8.895 4.457 1.00 10.32 N ATOM 0 H LYS A 21 6.503 2.827 1.037 1.00 22.14 H new ATOM 0 HA LYS A 21 4.504 4.866 0.671 1.00 72.33 H new ATOM 0 HB2 LYS A 21 6.169 4.611 2.603 1.00 13.11 H new ATOM 0 HB3 LYS A 21 7.416 5.152 1.496 1.00 13.11 H new ATOM 0 HG2 LYS A 21 5.528 7.118 1.152 1.00 1.22 H new ATOM 0 HG3 LYS A 21 5.267 6.696 2.833 1.00 1.22 H new ATOM 0 HD2 LYS A 21 8.112 7.016 1.968 1.00 41.23 H new ATOM 0 HD3 LYS A 21 7.144 8.476 2.017 1.00 41.23 H new ATOM 0 HE2 LYS A 21 6.708 6.824 4.397 1.00 43.32 H new ATOM 0 HE3 LYS A 21 8.404 7.213 4.191 1.00 43.32 H new ATOM 0 HZ1 LYS A 21 7.271 8.895 5.489 1.00 10.32 H new ATOM 0 HZ2 LYS A 21 7.818 9.562 4.027 1.00 10.32 H new ATOM 0 HZ3 LYS A 21 6.174 9.185 4.226 1.00 10.32 H new ATOM 357 N ARG A 22 7.167 4.771 -1.271 1.00 4.44 N ATOM 358 CA ARG A 22 7.730 5.281 -2.515 1.00 52.41 C ATOM 359 C ARG A 22 6.713 5.188 -3.649 1.00 42.13 C ATOM 360 O ARG A 22 6.773 5.949 -4.615 1.00 74.42 O ATOM 361 CB ARG A 22 8.994 4.505 -2.884 1.00 42.23 C ATOM 362 CG ARG A 22 10.262 5.341 -2.824 1.00 53.45 C ATOM 363 CD ARG A 22 10.799 5.438 -1.404 1.00 53.14 C ATOM 364 NE ARG A 22 12.147 4.887 -1.291 1.00 51.03 N ATOM 365 CZ ARG A 22 13.221 5.456 -1.825 1.00 10.53 C ATOM 366 NH1 ARG A 22 13.106 6.588 -2.506 1.00 24.23 N ATOM 367 NH2 ARG A 22 14.414 4.894 -1.678 1.00 70.34 N ATOM 0 H ARG A 22 7.711 4.025 -0.837 1.00 4.44 H new ATOM 0 HA ARG A 22 7.988 6.330 -2.365 1.00 52.41 H new ATOM 0 HB2 ARG A 22 9.098 3.655 -2.210 1.00 42.23 H new ATOM 0 HB3 ARG A 22 8.882 4.102 -3.891 1.00 42.23 H new ATOM 0 HG2 ARG A 22 11.020 4.901 -3.472 1.00 53.45 H new ATOM 0 HG3 ARG A 22 10.058 6.341 -3.206 1.00 53.45 H new ATOM 0 HD2 ARG A 22 10.806 6.482 -1.089 1.00 53.14 H new ATOM 0 HD3 ARG A 22 10.131 4.905 -0.727 1.00 53.14 H new ATOM 0 HE ARG A 22 12.270 4.017 -0.773 1.00 51.03 H new ATOM 0 HH11 ARG A 22 12.191 7.024 -2.620 1.00 24.23 H new ATOM 0 HH12 ARG A 22 13.933 7.023 -2.915 1.00 24.23 H new ATOM 0 HH21 ARG A 22 14.507 4.024 -1.154 1.00 70.34 H new ATOM 0 HH22 ARG A 22 15.238 5.332 -2.089 1.00 70.34 H new ATOM 381 N VAL A 23 5.780 4.249 -3.524 1.00 14.12 N ATOM 382 CA VAL A 23 4.750 4.056 -4.538 1.00 15.44 C ATOM 383 C VAL A 23 3.593 5.031 -4.339 1.00 45.42 C ATOM 384 O VAL A 23 3.174 5.710 -5.277 1.00 2.31 O ATOM 385 CB VAL A 23 4.203 2.617 -4.515 1.00 73.21 C ATOM 386 CG1 VAL A 23 3.277 2.378 -5.698 1.00 52.24 C ATOM 387 CG2 VAL A 23 5.345 1.612 -4.510 1.00 45.42 C ATOM 0 H VAL A 23 5.716 3.611 -2.731 1.00 14.12 H new ATOM 0 HA VAL A 23 5.218 4.244 -5.504 1.00 15.44 H new ATOM 0 HB VAL A 23 3.627 2.481 -3.600 1.00 73.21 H new ATOM 0 HG11 VAL A 23 2.900 1.356 -5.665 1.00 52.24 H new ATOM 0 HG12 VAL A 23 2.440 3.075 -5.651 1.00 52.24 H new ATOM 0 HG13 VAL A 23 3.826 2.532 -6.627 1.00 52.24 H new ATOM 0 HG21 VAL A 23 4.939 0.600 -4.494 1.00 45.42 H new ATOM 0 HG22 VAL A 23 5.951 1.746 -5.406 1.00 45.42 H new ATOM 0 HG23 VAL A 23 5.964 1.769 -3.627 1.00 45.42 H new ATOM 397 N ILE A 24 3.085 5.094 -3.114 1.00 1.53 N ATOM 398 CA ILE A 24 1.979 5.988 -2.793 1.00 15.14 C ATOM 399 C ILE A 24 2.307 7.427 -3.171 1.00 13.54 C ATOM 400 O ILE A 24 1.414 8.226 -3.451 1.00 33.04 O ATOM 401 CB ILE A 24 1.625 5.930 -1.295 1.00 22.44 C ATOM 402 CG1 ILE A 24 1.244 4.503 -0.893 1.00 3.31 C ATOM 403 CG2 ILE A 24 0.492 6.895 -0.979 1.00 51.35 C ATOM 404 CD1 ILE A 24 1.359 4.243 0.593 1.00 40.13 C ATOM 0 H ILE A 24 3.421 4.538 -2.328 1.00 1.53 H new ATOM 0 HA ILE A 24 1.121 5.650 -3.374 1.00 15.14 H new ATOM 0 HB ILE A 24 2.501 6.229 -0.719 1.00 22.44 H new ATOM 0 HG12 ILE A 24 0.220 4.306 -1.210 1.00 3.31 H new ATOM 0 HG13 ILE A 24 1.884 3.801 -1.427 1.00 3.31 H new ATOM 0 HG21 ILE A 24 0.254 6.842 0.083 1.00 51.35 H new ATOM 0 HG22 ILE A 24 0.798 7.910 -1.232 1.00 51.35 H new ATOM 0 HG23 ILE A 24 -0.389 6.625 -1.562 1.00 51.35 H new ATOM 0 HD11 ILE A 24 1.074 3.213 0.805 1.00 40.13 H new ATOM 0 HD12 ILE A 24 2.388 4.408 0.913 1.00 40.13 H new ATOM 0 HD13 ILE A 24 0.698 4.921 1.133 1.00 40.13 H new ATOM 416 N ALA A 25 3.596 7.752 -3.178 1.00 52.53 N ATOM 417 CA ALA A 25 4.042 9.096 -3.526 1.00 5.15 C ATOM 418 C ALA A 25 3.990 9.319 -5.034 1.00 13.23 C ATOM 419 O ALA A 25 3.828 10.447 -5.499 1.00 2.44 O ATOM 420 CB ALA A 25 5.452 9.334 -3.004 1.00 4.43 C ATOM 0 H ALA A 25 4.349 7.104 -2.947 1.00 52.53 H new ATOM 0 HA ALA A 25 3.366 9.810 -3.056 1.00 5.15 H new ATOM 0 HB1 ALA A 25 5.773 10.341 -3.270 1.00 4.43 H new ATOM 0 HB2 ALA A 25 5.462 9.225 -1.920 1.00 4.43 H new ATOM 0 HB3 ALA A 25 6.132 8.607 -3.448 1.00 4.43 H new ATOM 426 N LEU A 26 4.128 8.237 -5.792 1.00 2.31 N ATOM 427 CA LEU A 26 4.097 8.315 -7.248 1.00 31.42 C ATOM 428 C LEU A 26 2.668 8.195 -7.770 1.00 24.15 C ATOM 429 O LEU A 26 2.190 9.058 -8.506 1.00 10.41 O ATOM 430 CB LEU A 26 4.967 7.213 -7.857 1.00 5.43 C ATOM 431 CG LEU A 26 5.856 7.631 -9.028 1.00 42.12 C ATOM 432 CD1 LEU A 26 7.195 8.148 -8.526 1.00 2.43 C ATOM 433 CD2 LEU A 26 6.058 6.466 -9.986 1.00 51.25 C ATOM 0 H LEU A 26 4.262 7.296 -5.423 1.00 2.31 H new ATOM 0 HA LEU A 26 4.492 9.287 -7.543 1.00 31.42 H new ATOM 0 HB2 LEU A 26 5.603 6.804 -7.072 1.00 5.43 H new ATOM 0 HB3 LEU A 26 4.315 6.406 -8.192 1.00 5.43 H new ATOM 0 HG LEU A 26 5.358 8.437 -9.566 1.00 42.12 H new ATOM 0 HD11 LEU A 26 7.813 8.440 -9.375 1.00 2.43 H new ATOM 0 HD12 LEU A 26 7.033 9.011 -7.881 1.00 2.43 H new ATOM 0 HD13 LEU A 26 7.700 7.363 -7.962 1.00 2.43 H new ATOM 0 HD21 LEU A 26 6.693 6.781 -10.814 1.00 51.25 H new ATOM 0 HD22 LEU A 26 6.533 5.639 -9.458 1.00 51.25 H new ATOM 0 HD23 LEU A 26 5.092 6.142 -10.373 1.00 51.25 H new ATOM 445 N LYS A 27 1.990 7.121 -7.380 1.00 63.54 N ATOM 446 CA LYS A 27 0.615 6.889 -7.805 1.00 72.51 C ATOM 447 C LYS A 27 -0.333 7.886 -7.146 1.00 71.01 C ATOM 448 O LYS A 27 -1.190 8.474 -7.808 1.00 41.01 O ATOM 449 CB LYS A 27 0.187 5.459 -7.461 1.00 4.50 C ATOM 450 CG LYS A 27 0.242 4.508 -8.643 1.00 60.41 C ATOM 451 CD LYS A 27 1.627 4.472 -9.267 1.00 33.03 C ATOM 452 CE LYS A 27 1.979 3.078 -9.763 1.00 44.41 C ATOM 453 NZ LYS A 27 3.353 2.674 -9.352 1.00 12.31 N ATOM 0 H LYS A 27 2.371 6.397 -6.770 1.00 63.54 H new ATOM 0 HA LYS A 27 0.567 7.027 -8.885 1.00 72.51 H new ATOM 0 HB2 LYS A 27 0.830 5.077 -6.668 1.00 4.50 H new ATOM 0 HB3 LYS A 27 -0.829 5.477 -7.067 1.00 4.50 H new ATOM 0 HG2 LYS A 27 -0.038 3.506 -8.318 1.00 60.41 H new ATOM 0 HG3 LYS A 27 -0.488 4.815 -9.392 1.00 60.41 H new ATOM 0 HD2 LYS A 27 1.671 5.177 -10.097 1.00 33.03 H new ATOM 0 HD3 LYS A 27 2.366 4.796 -8.534 1.00 33.03 H new ATOM 0 HE2 LYS A 27 1.257 2.360 -9.373 1.00 44.41 H new ATOM 0 HE3 LYS A 27 1.902 3.049 -10.850 1.00 44.41 H new ATOM 0 HZ1 LYS A 27 3.821 2.182 -10.140 1.00 12.31 H new ATOM 0 HZ2 LYS A 27 3.902 3.520 -9.097 1.00 12.31 H new ATOM 0 HZ3 LYS A 27 3.297 2.037 -8.532 1.00 12.31 H new ATOM 467 N LYS A 28 -0.174 8.074 -5.841 1.00 72.22 N ATOM 468 CA LYS A 28 -1.014 9.003 -5.093 1.00 25.40 C ATOM 469 C LYS A 28 -2.492 8.680 -5.289 1.00 64.54 C ATOM 470 O LYS A 28 -3.217 9.383 -5.991 1.00 12.14 O ATOM 471 CB LYS A 28 -0.733 10.441 -5.531 1.00 43.30 C ATOM 472 CG LYS A 28 0.389 11.106 -4.753 1.00 5.32 C ATOM 473 CD LYS A 28 0.345 12.619 -4.892 1.00 30.14 C ATOM 474 CE LYS A 28 1.114 13.089 -6.117 1.00 73.11 C ATOM 475 NZ LYS A 28 2.410 13.723 -5.749 1.00 52.40 N ATOM 0 H LYS A 28 0.529 7.595 -5.278 1.00 72.22 H new ATOM 0 HA LYS A 28 -0.775 8.898 -4.035 1.00 25.40 H new ATOM 0 HB2 LYS A 28 -0.481 10.446 -6.591 1.00 43.30 H new ATOM 0 HB3 LYS A 28 -1.642 11.031 -5.417 1.00 43.30 H new ATOM 0 HG2 LYS A 28 0.313 10.834 -3.700 1.00 5.32 H new ATOM 0 HG3 LYS A 28 1.350 10.735 -5.110 1.00 5.32 H new ATOM 0 HD2 LYS A 28 -0.691 12.949 -4.963 1.00 30.14 H new ATOM 0 HD3 LYS A 28 0.766 13.080 -3.998 1.00 30.14 H new ATOM 0 HE2 LYS A 28 1.299 12.241 -6.777 1.00 73.11 H new ATOM 0 HE3 LYS A 28 0.507 13.801 -6.676 1.00 73.11 H new ATOM 0 HZ1 LYS A 28 2.904 14.030 -6.611 1.00 52.40 H new ATOM 0 HZ2 LYS A 28 2.233 14.547 -5.140 1.00 52.40 H new ATOM 0 HZ3 LYS A 28 3.000 13.036 -5.238 1.00 52.40 H new ATOM 489 N PRO A 29 -2.949 7.590 -4.654 1.00 42.14 N ATOM 490 CA PRO A 29 -4.345 7.150 -4.742 1.00 21.03 C ATOM 491 C PRO A 29 -5.297 8.095 -4.016 1.00 71.23 C ATOM 492 O PRO A 29 -4.865 9.006 -3.310 1.00 1.00 O ATOM 493 CB PRO A 29 -4.329 5.779 -4.061 1.00 41.02 C ATOM 494 CG PRO A 29 -3.166 5.831 -3.131 1.00 53.52 C ATOM 495 CD PRO A 29 -2.140 6.704 -3.801 1.00 11.11 C ATOM 0 HA PRO A 29 -4.700 7.125 -5.772 1.00 21.03 H new ATOM 0 HB2 PRO A 29 -5.258 5.594 -3.523 1.00 41.02 H new ATOM 0 HB3 PRO A 29 -4.217 4.976 -4.790 1.00 41.02 H new ATOM 0 HG2 PRO A 29 -3.457 6.242 -2.164 1.00 53.52 H new ATOM 0 HG3 PRO A 29 -2.769 4.833 -2.946 1.00 53.52 H new ATOM 0 HD2 PRO A 29 -1.557 7.269 -3.074 1.00 11.11 H new ATOM 0 HD3 PRO A 29 -1.434 6.116 -4.388 1.00 11.11 H new ATOM 503 N SER A 30 -6.595 7.870 -4.193 1.00 60.12 N ATOM 504 CA SER A 30 -7.609 8.703 -3.556 1.00 40.12 C ATOM 505 C SER A 30 -8.566 7.854 -2.724 1.00 45.42 C ATOM 506 O SER A 30 -9.772 8.095 -2.709 1.00 72.40 O ATOM 507 CB SER A 30 -8.391 9.487 -4.613 1.00 0.35 C ATOM 508 OG SER A 30 -7.578 9.782 -5.735 1.00 12.41 O ATOM 0 H SER A 30 -6.969 7.118 -4.772 1.00 60.12 H new ATOM 0 HA SER A 30 -7.104 9.405 -2.892 1.00 40.12 H new ATOM 0 HB2 SER A 30 -9.259 8.909 -4.931 1.00 0.35 H new ATOM 0 HB3 SER A 30 -8.767 10.413 -4.179 1.00 0.35 H new ATOM 0 HG SER A 30 -8.101 10.281 -6.396 1.00 12.41 H new ATOM 514 N ALA A 31 -8.016 6.861 -2.034 1.00 13.24 N ATOM 515 CA ALA A 31 -8.820 5.978 -1.197 1.00 64.32 C ATOM 516 C ALA A 31 -9.809 5.177 -2.037 1.00 25.22 C ATOM 517 O ALA A 31 -11.013 5.433 -2.007 1.00 22.41 O ATOM 518 CB ALA A 31 -9.555 6.781 -0.135 1.00 21.04 C ATOM 0 H ALA A 31 -7.019 6.647 -2.038 1.00 13.24 H new ATOM 0 HA ALA A 31 -8.149 5.275 -0.704 1.00 64.32 H new ATOM 0 HB1 ALA A 31 -10.151 6.109 0.482 1.00 21.04 H new ATOM 0 HB2 ALA A 31 -8.832 7.303 0.492 1.00 21.04 H new ATOM 0 HB3 ALA A 31 -10.210 7.508 -0.616 1.00 21.04 H new ATOM 524 N SER A 32 -9.293 4.206 -2.784 1.00 52.15 N ATOM 525 CA SER A 32 -10.132 3.371 -3.636 1.00 43.21 C ATOM 526 C SER A 32 -9.377 2.124 -4.087 1.00 0.11 C ATOM 527 O SER A 32 -8.236 2.206 -4.544 1.00 15.34 O ATOM 528 CB SER A 32 -10.605 4.163 -4.857 1.00 62.33 C ATOM 529 OG SER A 32 -11.643 5.063 -4.510 1.00 33.44 O ATOM 0 H SER A 32 -8.299 3.978 -2.817 1.00 52.15 H new ATOM 0 HA SER A 32 -11.000 3.060 -3.055 1.00 43.21 H new ATOM 0 HB2 SER A 32 -9.767 4.716 -5.283 1.00 62.33 H new ATOM 0 HB3 SER A 32 -10.957 3.476 -5.626 1.00 62.33 H new ATOM 0 HG SER A 32 -11.749 5.080 -3.536 1.00 33.44 H new ATOM 535 N ASP A 33 -10.021 0.970 -3.954 1.00 30.25 N ATOM 536 CA ASP A 33 -9.412 -0.295 -4.347 1.00 61.00 C ATOM 537 C ASP A 33 -8.885 -0.224 -5.777 1.00 12.43 C ATOM 538 O ASP A 33 -7.898 -0.873 -6.119 1.00 32.22 O ATOM 539 CB ASP A 33 -10.425 -1.434 -4.220 1.00 61.51 C ATOM 540 CG ASP A 33 -11.745 -1.113 -4.893 1.00 32.13 C ATOM 541 OD1 ASP A 33 -11.817 -1.208 -6.135 1.00 62.15 O ATOM 542 OD2 ASP A 33 -12.707 -0.768 -4.174 1.00 54.35 O ATOM 0 H ASP A 33 -10.965 0.884 -3.577 1.00 30.25 H new ATOM 0 HA ASP A 33 -8.573 -0.489 -3.679 1.00 61.00 H new ATOM 0 HB2 ASP A 33 -10.007 -2.339 -4.660 1.00 61.51 H new ATOM 0 HB3 ASP A 33 -10.600 -1.644 -3.165 1.00 61.51 H new ATOM 547 N ALA A 34 -9.553 0.570 -6.609 1.00 65.24 N ATOM 548 CA ALA A 34 -9.151 0.728 -8.001 1.00 70.31 C ATOM 549 C ALA A 34 -7.780 1.385 -8.106 1.00 42.15 C ATOM 550 O ALA A 34 -6.893 0.886 -8.801 1.00 40.22 O ATOM 551 CB ALA A 34 -10.188 1.542 -8.760 1.00 70.34 C ATOM 0 H ALA A 34 -10.374 1.113 -6.343 1.00 65.24 H new ATOM 0 HA ALA A 34 -9.084 -0.264 -8.449 1.00 70.31 H new ATOM 0 HB1 ALA A 34 -9.875 1.652 -9.798 1.00 70.34 H new ATOM 0 HB2 ALA A 34 -11.150 1.031 -8.723 1.00 70.34 H new ATOM 0 HB3 ALA A 34 -10.283 2.527 -8.303 1.00 70.34 H new ATOM 557 N ASP A 35 -7.611 2.506 -7.413 1.00 72.40 N ATOM 558 CA ASP A 35 -6.346 3.231 -7.428 1.00 14.01 C ATOM 559 C ASP A 35 -5.234 2.398 -6.798 1.00 31.31 C ATOM 560 O ASP A 35 -4.111 2.362 -7.300 1.00 44.34 O ATOM 561 CB ASP A 35 -6.487 4.561 -6.686 1.00 0.11 C ATOM 562 CG ASP A 35 -7.138 5.633 -7.537 1.00 72.03 C ATOM 563 OD1 ASP A 35 -7.144 5.483 -8.777 1.00 33.34 O ATOM 564 OD2 ASP A 35 -7.641 6.623 -6.964 1.00 61.50 O ATOM 0 H ASP A 35 -8.334 2.932 -6.834 1.00 72.40 H new ATOM 0 HA ASP A 35 -6.082 3.430 -8.467 1.00 14.01 H new ATOM 0 HB2 ASP A 35 -7.079 4.409 -5.783 1.00 0.11 H new ATOM 0 HB3 ASP A 35 -5.502 4.902 -6.368 1.00 0.11 H new ATOM 569 N TRP A 36 -5.555 1.731 -5.695 1.00 64.02 N ATOM 570 CA TRP A 36 -4.582 0.899 -4.996 1.00 5.23 C ATOM 571 C TRP A 36 -4.172 -0.295 -5.850 1.00 35.22 C ATOM 572 O TRP A 36 -3.141 -0.922 -5.606 1.00 71.22 O ATOM 573 CB TRP A 36 -5.158 0.416 -3.664 1.00 11.33 C ATOM 574 CG TRP A 36 -5.064 1.437 -2.570 1.00 61.20 C ATOM 575 CD1 TRP A 36 -6.050 2.285 -2.154 1.00 11.10 C ATOM 576 CD2 TRP A 36 -3.920 1.718 -1.756 1.00 32.20 C ATOM 577 NE1 TRP A 36 -5.588 3.077 -1.130 1.00 32.21 N ATOM 578 CE2 TRP A 36 -4.285 2.748 -0.867 1.00 25.23 C ATOM 579 CE3 TRP A 36 -2.624 1.199 -1.691 1.00 33.32 C ATOM 580 CZ2 TRP A 36 -3.399 3.266 0.074 1.00 41.44 C ATOM 581 CZ3 TRP A 36 -1.746 1.715 -0.756 1.00 73.25 C ATOM 582 CH2 TRP A 36 -2.137 2.740 0.116 1.00 24.13 C ATOM 0 H TRP A 36 -6.480 1.750 -5.266 1.00 64.02 H new ATOM 0 HA TRP A 36 -3.696 1.504 -4.803 1.00 5.23 H new ATOM 0 HB2 TRP A 36 -6.203 0.142 -3.807 1.00 11.33 H new ATOM 0 HB3 TRP A 36 -4.631 -0.487 -3.355 1.00 11.33 H new ATOM 0 HD1 TRP A 36 -7.046 2.327 -2.569 1.00 11.10 H new ATOM 0 HE1 TRP A 36 -6.128 3.793 -0.645 1.00 32.21 H new ATOM 0 HE3 TRP A 36 -2.314 0.409 -2.359 1.00 33.32 H new ATOM 0 HZ2 TRP A 36 -3.698 4.056 0.747 1.00 41.44 H new ATOM 0 HZ3 TRP A 36 -0.742 1.322 -0.697 1.00 73.25 H new ATOM 0 HH2 TRP A 36 -1.428 3.122 0.835 1.00 24.13 H new ATOM 593 N THR A 37 -4.988 -0.608 -6.853 1.00 2.24 N ATOM 594 CA THR A 37 -4.711 -1.728 -7.743 1.00 42.21 C ATOM 595 C THR A 37 -3.303 -1.635 -8.322 1.00 34.25 C ATOM 596 O THR A 37 -2.608 -2.642 -8.450 1.00 21.43 O ATOM 597 CB THR A 37 -5.727 -1.791 -8.899 1.00 62.52 C ATOM 598 OG1 THR A 37 -7.059 -1.843 -8.377 1.00 74.34 O ATOM 599 CG2 THR A 37 -5.472 -3.008 -9.777 1.00 2.52 C ATOM 0 H THR A 37 -5.846 -0.101 -7.069 1.00 2.24 H new ATOM 0 HA THR A 37 -4.795 -2.636 -7.145 1.00 42.21 H new ATOM 0 HB THR A 37 -5.610 -0.894 -9.507 1.00 62.52 H new ATOM 0 HG1 THR A 37 -7.033 -1.732 -7.404 1.00 74.34 H new ATOM 0 HG21 THR A 37 -6.201 -3.032 -10.587 1.00 2.52 H new ATOM 0 HG22 THR A 37 -4.467 -2.951 -10.195 1.00 2.52 H new ATOM 0 HG23 THR A 37 -5.565 -3.914 -9.178 1.00 2.52 H new ATOM 607 N GLU A 38 -2.890 -0.421 -8.670 1.00 15.43 N ATOM 608 CA GLU A 38 -1.566 -0.198 -9.235 1.00 41.44 C ATOM 609 C GLU A 38 -0.500 -0.201 -8.143 1.00 73.52 C ATOM 610 O GLU A 38 0.520 -0.882 -8.258 1.00 11.34 O ATOM 611 CB GLU A 38 -1.528 1.130 -9.996 1.00 63.43 C ATOM 612 CG GLU A 38 -1.743 0.979 -11.493 1.00 62.31 C ATOM 613 CD GLU A 38 -1.457 2.259 -12.255 1.00 74.02 C ATOM 614 OE1 GLU A 38 -0.279 2.668 -12.303 1.00 50.34 O ATOM 615 OE2 GLU A 38 -2.412 2.850 -12.801 1.00 64.43 O ATOM 0 H GLU A 38 -3.454 0.423 -8.570 1.00 15.43 H new ATOM 0 HA GLU A 38 -1.354 -1.012 -9.928 1.00 41.44 H new ATOM 0 HB2 GLU A 38 -2.294 1.793 -9.592 1.00 63.43 H new ATOM 0 HB3 GLU A 38 -0.566 1.612 -9.822 1.00 63.43 H new ATOM 0 HG2 GLU A 38 -1.100 0.184 -11.870 1.00 62.31 H new ATOM 0 HG3 GLU A 38 -2.772 0.672 -11.679 1.00 62.31 H new ATOM 622 N VAL A 39 -0.743 0.565 -7.085 1.00 74.13 N ATOM 623 CA VAL A 39 0.193 0.652 -5.971 1.00 63.54 C ATOM 624 C VAL A 39 0.514 -0.731 -5.415 1.00 60.35 C ATOM 625 O VAL A 39 1.648 -1.005 -5.020 1.00 21.34 O ATOM 626 CB VAL A 39 -0.362 1.532 -4.837 1.00 14.02 C ATOM 627 CG1 VAL A 39 0.624 1.599 -3.681 1.00 23.02 C ATOM 628 CG2 VAL A 39 -0.685 2.926 -5.355 1.00 1.23 C ATOM 0 H VAL A 39 -1.582 1.135 -6.976 1.00 74.13 H new ATOM 0 HA VAL A 39 1.105 1.106 -6.359 1.00 63.54 H new ATOM 0 HB VAL A 39 -1.285 1.082 -4.470 1.00 14.02 H new ATOM 0 HG11 VAL A 39 0.214 2.226 -2.889 1.00 23.02 H new ATOM 0 HG12 VAL A 39 0.801 0.595 -3.295 1.00 23.02 H new ATOM 0 HG13 VAL A 39 1.565 2.024 -4.030 1.00 23.02 H new ATOM 0 HG21 VAL A 39 -1.076 3.535 -4.540 1.00 1.23 H new ATOM 0 HG22 VAL A 39 0.221 3.386 -5.750 1.00 1.23 H new ATOM 0 HG23 VAL A 39 -1.431 2.856 -6.147 1.00 1.23 H new ATOM 638 N LEU A 40 -0.491 -1.600 -5.388 1.00 63.20 N ATOM 639 CA LEU A 40 -0.316 -2.956 -4.881 1.00 21.03 C ATOM 640 C LEU A 40 0.337 -3.851 -5.930 1.00 52.33 C ATOM 641 O LEU A 40 0.889 -4.902 -5.608 1.00 22.45 O ATOM 642 CB LEU A 40 -1.665 -3.543 -4.462 1.00 1.24 C ATOM 643 CG LEU A 40 -2.374 -4.409 -5.504 1.00 44.32 C ATOM 644 CD1 LEU A 40 -1.949 -5.862 -5.368 1.00 41.14 C ATOM 645 CD2 LEU A 40 -3.884 -4.277 -5.369 1.00 25.33 C ATOM 0 H LEU A 40 -1.435 -1.389 -5.711 1.00 63.20 H new ATOM 0 HA LEU A 40 0.340 -2.910 -4.011 1.00 21.03 H new ATOM 0 HB2 LEU A 40 -1.515 -4.141 -3.563 1.00 1.24 H new ATOM 0 HB3 LEU A 40 -2.328 -2.721 -4.191 1.00 1.24 H new ATOM 0 HG LEU A 40 -2.087 -4.060 -6.496 1.00 44.32 H new ATOM 0 HD11 LEU A 40 -2.464 -6.463 -6.117 1.00 41.14 H new ATOM 0 HD12 LEU A 40 -0.872 -5.941 -5.516 1.00 41.14 H new ATOM 0 HD13 LEU A 40 -2.206 -6.225 -4.373 1.00 41.14 H new ATOM 0 HD21 LEU A 40 -4.372 -4.900 -6.118 1.00 25.33 H new ATOM 0 HD22 LEU A 40 -4.190 -4.600 -4.374 1.00 25.33 H new ATOM 0 HD23 LEU A 40 -4.173 -3.237 -5.518 1.00 25.33 H new ATOM 657 N ARG A 41 0.270 -3.425 -7.187 1.00 45.45 N ATOM 658 CA ARG A 41 0.855 -4.186 -8.285 1.00 1.43 C ATOM 659 C ARG A 41 2.368 -4.301 -8.121 1.00 2.14 C ATOM 660 O ARG A 41 2.975 -5.290 -8.534 1.00 73.41 O ATOM 661 CB ARG A 41 0.525 -3.526 -9.624 1.00 62.01 C ATOM 662 CG ARG A 41 -0.093 -4.477 -10.635 1.00 52.35 C ATOM 663 CD ARG A 41 -1.448 -4.985 -10.167 1.00 70.31 C ATOM 664 NE ARG A 41 -1.989 -6.006 -11.061 1.00 2.42 N ATOM 665 CZ ARG A 41 -2.500 -5.738 -12.257 1.00 62.35 C ATOM 666 NH1 ARG A 41 -2.538 -4.490 -12.701 1.00 54.54 N ATOM 667 NH2 ARG A 41 -2.973 -6.720 -13.013 1.00 25.51 N ATOM 0 H ARG A 41 -0.184 -2.557 -7.471 1.00 45.45 H new ATOM 0 HA ARG A 41 0.428 -5.189 -8.267 1.00 1.43 H new ATOM 0 HB2 ARG A 41 -0.161 -2.697 -9.451 1.00 62.01 H new ATOM 0 HB3 ARG A 41 1.437 -3.103 -10.046 1.00 62.01 H new ATOM 0 HG2 ARG A 41 -0.205 -3.969 -11.593 1.00 52.35 H new ATOM 0 HG3 ARG A 41 0.577 -5.321 -10.798 1.00 52.35 H new ATOM 0 HD2 ARG A 41 -1.353 -5.396 -9.162 1.00 70.31 H new ATOM 0 HD3 ARG A 41 -2.146 -4.150 -10.105 1.00 70.31 H new ATOM 0 HE ARG A 41 -1.973 -6.977 -10.750 1.00 2.42 H new ATOM 0 HH11 ARG A 41 -2.174 -3.732 -12.124 1.00 54.54 H new ATOM 0 HH12 ARG A 41 -2.931 -4.287 -13.620 1.00 54.54 H new ATOM 0 HH21 ARG A 41 -2.944 -7.682 -12.676 1.00 25.51 H new ATOM 0 HH22 ARG A 41 -3.365 -6.513 -13.931 1.00 25.51 H new ATOM 681 N LEU A 42 2.971 -3.284 -7.515 1.00 73.24 N ATOM 682 CA LEU A 42 4.413 -3.270 -7.297 1.00 61.24 C ATOM 683 C LEU A 42 4.799 -4.194 -6.147 1.00 31.22 C ATOM 684 O LEU A 42 5.599 -5.114 -6.317 1.00 64.22 O ATOM 685 CB LEU A 42 4.891 -1.846 -7.005 1.00 62.40 C ATOM 686 CG LEU A 42 5.592 -1.124 -8.155 1.00 64.43 C ATOM 687 CD1 LEU A 42 4.576 -0.615 -9.165 1.00 74.22 C ATOM 688 CD2 LEU A 42 6.442 0.023 -7.627 1.00 71.11 C ATOM 0 H LEU A 42 2.484 -2.459 -7.166 1.00 73.24 H new ATOM 0 HA LEU A 42 4.896 -3.630 -8.205 1.00 61.24 H new ATOM 0 HB2 LEU A 42 4.030 -1.251 -6.700 1.00 62.40 H new ATOM 0 HB3 LEU A 42 5.572 -1.880 -6.155 1.00 62.40 H new ATOM 0 HG LEU A 42 6.248 -1.835 -8.657 1.00 64.43 H new ATOM 0 HD11 LEU A 42 5.094 -0.104 -9.976 1.00 74.22 H new ATOM 0 HD12 LEU A 42 4.011 -1.456 -9.568 1.00 74.22 H new ATOM 0 HD13 LEU A 42 3.893 0.080 -8.676 1.00 74.22 H new ATOM 0 HD21 LEU A 42 6.933 0.525 -8.460 1.00 71.11 H new ATOM 0 HD22 LEU A 42 5.806 0.734 -7.099 1.00 71.11 H new ATOM 0 HD23 LEU A 42 7.196 -0.367 -6.943 1.00 71.11 H new ATOM 700 N LEU A 43 4.222 -3.945 -4.976 1.00 65.22 N ATOM 701 CA LEU A 43 4.503 -4.757 -3.796 1.00 50.52 C ATOM 702 C LEU A 43 3.948 -6.167 -3.961 1.00 61.41 C ATOM 703 O LEU A 43 4.275 -7.067 -3.188 1.00 74.44 O ATOM 704 CB LEU A 43 3.905 -4.103 -2.550 1.00 32.13 C ATOM 705 CG LEU A 43 4.788 -4.107 -1.301 1.00 41.32 C ATOM 706 CD1 LEU A 43 5.468 -5.456 -1.132 1.00 2.33 C ATOM 707 CD2 LEU A 43 5.822 -2.992 -1.376 1.00 1.12 C ATOM 0 H LEU A 43 3.557 -3.188 -4.818 1.00 65.22 H new ATOM 0 HA LEU A 43 5.585 -4.824 -3.680 1.00 50.52 H new ATOM 0 HB2 LEU A 43 3.655 -3.070 -2.791 1.00 32.13 H new ATOM 0 HB3 LEU A 43 2.970 -4.610 -2.311 1.00 32.13 H new ATOM 0 HG LEU A 43 4.155 -3.931 -0.431 1.00 41.32 H new ATOM 0 HD11 LEU A 43 6.092 -5.440 -0.238 1.00 2.33 H new ATOM 0 HD12 LEU A 43 4.712 -6.235 -1.032 1.00 2.33 H new ATOM 0 HD13 LEU A 43 6.089 -5.662 -2.004 1.00 2.33 H new ATOM 0 HD21 LEU A 43 6.442 -3.009 -0.479 1.00 1.12 H new ATOM 0 HD22 LEU A 43 6.451 -3.137 -2.254 1.00 1.12 H new ATOM 0 HD23 LEU A 43 5.315 -2.030 -1.448 1.00 1.12 H new ATOM 719 N ALA A 44 3.108 -6.353 -4.974 1.00 50.43 N ATOM 720 CA ALA A 44 2.511 -7.655 -5.244 1.00 11.14 C ATOM 721 C ALA A 44 3.583 -8.718 -5.450 1.00 24.20 C ATOM 722 O ALA A 44 3.302 -9.917 -5.405 1.00 12.20 O ATOM 723 CB ALA A 44 1.600 -7.576 -6.460 1.00 61.45 C ATOM 0 H ALA A 44 2.825 -5.617 -5.622 1.00 50.43 H new ATOM 0 HA ALA A 44 1.916 -7.941 -4.377 1.00 11.14 H new ATOM 0 HB1 ALA A 44 1.161 -8.555 -6.650 1.00 61.45 H new ATOM 0 HB2 ALA A 44 0.806 -6.853 -6.274 1.00 61.45 H new ATOM 0 HB3 ALA A 44 2.179 -7.263 -7.329 1.00 61.45 H new ATOM 729 N LYS A 45 4.815 -8.274 -5.677 1.00 75.31 N ATOM 730 CA LYS A 45 5.931 -9.188 -5.890 1.00 44.41 C ATOM 731 C LYS A 45 6.060 -10.170 -4.731 1.00 22.14 C ATOM 732 O LYS A 45 6.591 -11.267 -4.891 1.00 63.34 O ATOM 733 CB LYS A 45 7.235 -8.403 -6.055 1.00 35.02 C ATOM 734 CG LYS A 45 7.706 -7.732 -4.777 1.00 14.32 C ATOM 735 CD LYS A 45 8.440 -6.434 -5.067 1.00 0.34 C ATOM 736 CE LYS A 45 9.692 -6.674 -5.896 1.00 20.54 C ATOM 737 NZ LYS A 45 10.876 -5.968 -5.331 1.00 60.44 N ATOM 0 H LYS A 45 5.066 -7.286 -5.718 1.00 75.31 H new ATOM 0 HA LYS A 45 5.736 -9.753 -6.801 1.00 44.41 H new ATOM 0 HB2 LYS A 45 8.014 -9.079 -6.409 1.00 35.02 H new ATOM 0 HB3 LYS A 45 7.097 -7.644 -6.825 1.00 35.02 H new ATOM 0 HG2 LYS A 45 6.849 -7.531 -4.134 1.00 14.32 H new ATOM 0 HG3 LYS A 45 8.363 -8.409 -4.231 1.00 14.32 H new ATOM 0 HD2 LYS A 45 7.777 -5.751 -5.597 1.00 0.34 H new ATOM 0 HD3 LYS A 45 8.711 -5.951 -4.128 1.00 0.34 H new ATOM 0 HE2 LYS A 45 9.896 -7.744 -5.944 1.00 20.54 H new ATOM 0 HE3 LYS A 45 9.521 -6.336 -6.918 1.00 20.54 H new ATOM 0 HZ1 LYS A 45 11.709 -6.157 -5.925 1.00 60.44 H new ATOM 0 HZ2 LYS A 45 10.692 -4.945 -5.308 1.00 60.44 H new ATOM 0 HZ3 LYS A 45 11.055 -6.309 -4.365 1.00 60.44 H new ATOM 751 N GLU A 46 5.568 -9.767 -3.563 1.00 20.21 N ATOM 752 CA GLU A 46 5.628 -10.614 -2.377 1.00 11.21 C ATOM 753 C GLU A 46 4.261 -11.218 -2.069 1.00 62.23 C ATOM 754 O GLU A 46 3.940 -11.501 -0.916 1.00 63.24 O ATOM 755 CB GLU A 46 6.124 -9.809 -1.174 1.00 12.35 C ATOM 756 CG GLU A 46 7.493 -9.184 -1.382 1.00 13.42 C ATOM 757 CD GLU A 46 8.568 -9.836 -0.534 1.00 0.42 C ATOM 758 OE1 GLU A 46 9.167 -10.829 -0.996 1.00 41.13 O ATOM 759 OE2 GLU A 46 8.810 -9.352 0.592 1.00 52.14 O ATOM 0 H GLU A 46 5.124 -8.861 -3.413 1.00 20.21 H new ATOM 0 HA GLU A 46 6.328 -11.426 -2.577 1.00 11.21 H new ATOM 0 HB2 GLU A 46 5.404 -9.021 -0.953 1.00 12.35 H new ATOM 0 HB3 GLU A 46 6.161 -10.461 -0.301 1.00 12.35 H new ATOM 0 HG2 GLU A 46 7.768 -9.263 -2.434 1.00 13.42 H new ATOM 0 HG3 GLU A 46 7.443 -8.121 -1.144 1.00 13.42 H new ATOM 766 N GLY A 47 3.459 -11.412 -3.112 1.00 32.43 N ATOM 767 CA GLY A 47 2.136 -11.982 -2.934 1.00 11.21 C ATOM 768 C GLY A 47 1.323 -11.242 -1.891 1.00 0.13 C ATOM 769 O GLY A 47 0.749 -11.855 -0.990 1.00 74.55 O ATOM 0 H GLY A 47 3.702 -11.185 -4.076 1.00 32.43 H new ATOM 0 HA2 GLY A 47 1.604 -11.963 -3.885 1.00 11.21 H new ATOM 0 HA3 GLY A 47 2.230 -13.028 -2.642 1.00 11.21 H new ATOM 773 N VAL A 48 1.274 -9.919 -2.008 1.00 54.14 N ATOM 774 CA VAL A 48 0.525 -9.095 -1.067 1.00 44.42 C ATOM 775 C VAL A 48 -0.974 -9.337 -1.195 1.00 73.12 C ATOM 776 O VAL A 48 -1.486 -9.561 -2.292 1.00 42.25 O ATOM 777 CB VAL A 48 0.812 -7.596 -1.282 1.00 72.42 C ATOM 778 CG1 VAL A 48 -0.031 -6.750 -0.340 1.00 30.32 C ATOM 779 CG2 VAL A 48 2.293 -7.305 -1.094 1.00 13.31 C ATOM 0 H VAL A 48 1.744 -9.395 -2.746 1.00 54.14 H new ATOM 0 HA VAL A 48 0.852 -9.381 -0.067 1.00 44.42 H new ATOM 0 HB VAL A 48 0.541 -7.335 -2.305 1.00 72.42 H new ATOM 0 HG11 VAL A 48 0.185 -5.695 -0.507 1.00 30.32 H new ATOM 0 HG12 VAL A 48 -1.088 -6.938 -0.529 1.00 30.32 H new ATOM 0 HG13 VAL A 48 0.205 -7.010 0.692 1.00 30.32 H new ATOM 0 HG21 VAL A 48 2.478 -6.242 -1.250 1.00 13.31 H new ATOM 0 HG22 VAL A 48 2.593 -7.581 -0.083 1.00 13.31 H new ATOM 0 HG23 VAL A 48 2.872 -7.883 -1.815 1.00 13.31 H new ATOM 789 N VAL A 49 -1.674 -9.293 -0.065 1.00 40.54 N ATOM 790 CA VAL A 49 -3.115 -9.506 -0.051 1.00 14.13 C ATOM 791 C VAL A 49 -3.843 -8.402 -0.810 1.00 3.22 C ATOM 792 O VAL A 49 -3.230 -7.427 -1.244 1.00 13.21 O ATOM 793 CB VAL A 49 -3.660 -9.568 1.389 1.00 5.01 C ATOM 794 CG1 VAL A 49 -3.219 -10.854 2.071 1.00 4.14 C ATOM 795 CG2 VAL A 49 -3.206 -8.352 2.181 1.00 1.32 C ATOM 0 H VAL A 49 -1.265 -9.112 0.852 1.00 40.54 H new ATOM 0 HA VAL A 49 -3.297 -10.462 -0.543 1.00 14.13 H new ATOM 0 HB VAL A 49 -4.749 -9.562 1.349 1.00 5.01 H new ATOM 0 HG11 VAL A 49 -3.613 -10.881 3.087 1.00 4.14 H new ATOM 0 HG12 VAL A 49 -3.597 -11.710 1.513 1.00 4.14 H new ATOM 0 HG13 VAL A 49 -2.130 -10.894 2.103 1.00 4.14 H new ATOM 0 HG21 VAL A 49 -3.599 -8.411 3.196 1.00 1.32 H new ATOM 0 HG22 VAL A 49 -2.117 -8.326 2.215 1.00 1.32 H new ATOM 0 HG23 VAL A 49 -3.576 -7.446 1.701 1.00 1.32 H new ATOM 805 N GLU A 50 -5.154 -8.562 -0.966 1.00 3.31 N ATOM 806 CA GLU A 50 -5.964 -7.577 -1.672 1.00 74.45 C ATOM 807 C GLU A 50 -5.653 -6.165 -1.185 1.00 33.12 C ATOM 808 O GLU A 50 -5.139 -5.960 -0.085 1.00 63.41 O ATOM 809 CB GLU A 50 -7.453 -7.878 -1.483 1.00 45.03 C ATOM 810 CG GLU A 50 -7.814 -8.294 -0.066 1.00 45.53 C ATOM 811 CD GLU A 50 -8.120 -9.774 0.047 1.00 63.24 C ATOM 812 OE1 GLU A 50 -7.167 -10.568 0.189 1.00 21.55 O ATOM 813 OE2 GLU A 50 -9.313 -10.139 -0.007 1.00 55.31 O ATOM 0 H GLU A 50 -5.677 -9.364 -0.613 1.00 3.31 H new ATOM 0 HA GLU A 50 -5.720 -7.638 -2.733 1.00 74.45 H new ATOM 0 HB2 GLU A 50 -8.031 -6.994 -1.752 1.00 45.03 H new ATOM 0 HB3 GLU A 50 -7.745 -8.671 -2.171 1.00 45.03 H new ATOM 0 HG2 GLU A 50 -6.990 -8.045 0.603 1.00 45.53 H new ATOM 0 HG3 GLU A 50 -8.679 -7.721 0.267 1.00 45.53 H new ATOM 820 N PRO A 51 -5.971 -5.167 -2.023 1.00 31.14 N ATOM 821 CA PRO A 51 -5.735 -3.757 -1.699 1.00 53.32 C ATOM 822 C PRO A 51 -6.657 -3.253 -0.593 1.00 65.33 C ATOM 823 O PRO A 51 -6.347 -2.276 0.087 1.00 43.31 O ATOM 824 CB PRO A 51 -6.037 -3.036 -3.016 1.00 11.44 C ATOM 825 CG PRO A 51 -6.979 -3.939 -3.735 1.00 22.30 C ATOM 826 CD PRO A 51 -6.587 -5.339 -3.350 1.00 2.44 C ATOM 0 HA PRO A 51 -4.725 -3.588 -1.325 1.00 53.32 H new ATOM 0 HB2 PRO A 51 -6.484 -2.058 -2.838 1.00 11.44 H new ATOM 0 HB3 PRO A 51 -5.128 -2.871 -3.594 1.00 11.44 H new ATOM 0 HG2 PRO A 51 -8.011 -3.731 -3.452 1.00 22.30 H new ATOM 0 HG3 PRO A 51 -6.909 -3.797 -4.813 1.00 22.30 H new ATOM 0 HD2 PRO A 51 -7.451 -6.002 -3.309 1.00 2.44 H new ATOM 0 HD3 PRO A 51 -5.887 -5.772 -4.065 1.00 2.44 H new ATOM 834 N GLU A 52 -7.789 -3.928 -0.420 1.00 63.40 N ATOM 835 CA GLU A 52 -8.754 -3.548 0.605 1.00 55.11 C ATOM 836 C GLU A 52 -8.077 -3.409 1.965 1.00 13.21 C ATOM 837 O GLU A 52 -8.449 -2.557 2.772 1.00 52.12 O ATOM 838 CB GLU A 52 -9.880 -4.581 0.685 1.00 52.21 C ATOM 839 CG GLU A 52 -11.260 -3.998 0.431 1.00 10.00 C ATOM 840 CD GLU A 52 -12.373 -4.982 0.735 1.00 55.23 C ATOM 841 OE1 GLU A 52 -12.474 -5.424 1.898 1.00 32.04 O ATOM 842 OE2 GLU A 52 -13.144 -5.310 -0.192 1.00 42.31 O ATOM 0 H GLU A 52 -8.060 -4.739 -0.975 1.00 63.40 H new ATOM 0 HA GLU A 52 -9.177 -2.582 0.330 1.00 55.11 H new ATOM 0 HB2 GLU A 52 -9.689 -5.371 -0.041 1.00 52.21 H new ATOM 0 HB3 GLU A 52 -9.867 -5.045 1.671 1.00 52.21 H new ATOM 0 HG2 GLU A 52 -11.392 -3.106 1.043 1.00 10.00 H new ATOM 0 HG3 GLU A 52 -11.332 -3.684 -0.610 1.00 10.00 H new ATOM 849 N VAL A 53 -7.083 -4.255 2.214 1.00 71.13 N ATOM 850 CA VAL A 53 -6.353 -4.228 3.476 1.00 2.12 C ATOM 851 C VAL A 53 -5.194 -3.239 3.420 1.00 13.31 C ATOM 852 O VAL A 53 -4.971 -2.473 4.357 1.00 20.10 O ATOM 853 CB VAL A 53 -5.807 -5.621 3.839 1.00 0.12 C ATOM 854 CG1 VAL A 53 -5.194 -5.609 5.231 1.00 40.20 C ATOM 855 CG2 VAL A 53 -6.909 -6.666 3.741 1.00 0.32 C ATOM 0 H VAL A 53 -6.764 -4.968 1.558 1.00 71.13 H new ATOM 0 HA VAL A 53 -7.060 -3.912 4.243 1.00 2.12 H new ATOM 0 HB VAL A 53 -5.024 -5.883 3.127 1.00 0.12 H new ATOM 0 HG11 VAL A 53 -4.814 -6.602 5.470 1.00 40.20 H new ATOM 0 HG12 VAL A 53 -4.375 -4.890 5.262 1.00 40.20 H new ATOM 0 HG13 VAL A 53 -5.953 -5.326 5.960 1.00 40.20 H new ATOM 0 HG21 VAL A 53 -6.506 -7.645 4.001 1.00 0.32 H new ATOM 0 HG22 VAL A 53 -7.715 -6.411 4.429 1.00 0.32 H new ATOM 0 HG23 VAL A 53 -7.297 -6.692 2.723 1.00 0.32 H new ATOM 865 N VAL A 54 -4.459 -3.260 2.312 1.00 5.52 N ATOM 866 CA VAL A 54 -3.323 -2.364 2.133 1.00 42.13 C ATOM 867 C VAL A 54 -3.747 -0.906 2.259 1.00 12.01 C ATOM 868 O VAL A 54 -2.931 -0.035 2.562 1.00 44.03 O ATOM 869 CB VAL A 54 -2.653 -2.575 0.761 1.00 35.23 C ATOM 870 CG1 VAL A 54 -1.453 -1.653 0.605 1.00 74.23 C ATOM 871 CG2 VAL A 54 -2.245 -4.030 0.586 1.00 4.33 C ATOM 0 H VAL A 54 -4.630 -3.887 1.526 1.00 5.52 H new ATOM 0 HA VAL A 54 -2.607 -2.600 2.920 1.00 42.13 H new ATOM 0 HB VAL A 54 -3.374 -2.328 -0.018 1.00 35.23 H new ATOM 0 HG11 VAL A 54 -0.993 -1.816 -0.370 1.00 74.23 H new ATOM 0 HG12 VAL A 54 -1.779 -0.616 0.683 1.00 74.23 H new ATOM 0 HG13 VAL A 54 -0.726 -1.866 1.389 1.00 74.23 H new ATOM 0 HG21 VAL A 54 -1.774 -4.161 -0.388 1.00 4.33 H new ATOM 0 HG22 VAL A 54 -1.541 -4.307 1.370 1.00 4.33 H new ATOM 0 HG23 VAL A 54 -3.128 -4.666 0.650 1.00 4.33 H new ATOM 881 N ARG A 55 -5.030 -0.646 2.027 1.00 44.21 N ATOM 882 CA ARG A 55 -5.564 0.708 2.115 1.00 64.31 C ATOM 883 C ARG A 55 -5.704 1.143 3.570 1.00 14.33 C ATOM 884 O ARG A 55 -5.449 2.298 3.909 1.00 21.04 O ATOM 885 CB ARG A 55 -6.920 0.790 1.412 1.00 3.33 C ATOM 886 CG ARG A 55 -7.541 2.177 1.448 1.00 13.24 C ATOM 887 CD ARG A 55 -8.758 2.266 0.541 1.00 34.05 C ATOM 888 NE ARG A 55 -10.007 2.109 1.282 1.00 42.10 N ATOM 889 CZ ARG A 55 -10.485 3.023 2.119 1.00 41.33 C ATOM 890 NH1 ARG A 55 -9.822 4.154 2.319 1.00 0.53 N ATOM 891 NH2 ARG A 55 -11.628 2.807 2.757 1.00 74.32 N ATOM 0 H ARG A 55 -5.719 -1.355 1.777 1.00 44.21 H new ATOM 0 HA ARG A 55 -4.865 1.382 1.619 1.00 64.31 H new ATOM 0 HB2 ARG A 55 -6.801 0.481 0.373 1.00 3.33 H new ATOM 0 HB3 ARG A 55 -7.605 0.082 1.878 1.00 3.33 H new ATOM 0 HG2 ARG A 55 -7.829 2.421 2.470 1.00 13.24 H new ATOM 0 HG3 ARG A 55 -6.801 2.916 1.140 1.00 13.24 H new ATOM 0 HD2 ARG A 55 -8.759 3.228 0.029 1.00 34.05 H new ATOM 0 HD3 ARG A 55 -8.694 1.496 -0.228 1.00 34.05 H new ATOM 0 HE ARG A 55 -10.541 1.250 1.149 1.00 42.10 H new ATOM 0 HH11 ARG A 55 -8.943 4.323 1.830 1.00 0.53 H new ATOM 0 HH12 ARG A 55 -10.191 4.855 2.962 1.00 0.53 H new ATOM 0 HH21 ARG A 55 -12.141 1.938 2.605 1.00 74.32 H new ATOM 0 HH22 ARG A 55 -11.994 3.510 3.400 1.00 74.32 H new ATOM 905 N GLN A 56 -6.113 0.211 4.424 1.00 13.11 N ATOM 906 CA GLN A 56 -6.290 0.500 5.843 1.00 32.43 C ATOM 907 C GLN A 56 -4.968 0.375 6.592 1.00 41.21 C ATOM 908 O GLN A 56 -4.584 1.269 7.348 1.00 72.02 O ATOM 909 CB GLN A 56 -7.326 -0.446 6.453 1.00 50.13 C ATOM 910 CG GLN A 56 -7.527 -0.247 7.946 1.00 24.43 C ATOM 911 CD GLN A 56 -8.251 1.044 8.272 1.00 43.53 C ATOM 912 OE1 GLN A 56 -9.459 1.160 8.069 1.00 53.20 O ATOM 913 NE2 GLN A 56 -7.513 2.025 8.778 1.00 2.43 N ATOM 0 H GLN A 56 -6.328 -0.750 4.159 1.00 13.11 H new ATOM 0 HA GLN A 56 -6.645 1.526 5.937 1.00 32.43 H new ATOM 0 HB2 GLN A 56 -8.280 -0.304 5.944 1.00 50.13 H new ATOM 0 HB3 GLN A 56 -7.018 -1.475 6.270 1.00 50.13 H new ATOM 0 HG2 GLN A 56 -8.093 -1.088 8.347 1.00 24.43 H new ATOM 0 HG3 GLN A 56 -6.557 -0.250 8.443 1.00 24.43 H new ATOM 0 HE21 GLN A 56 -6.514 1.885 8.930 1.00 2.43 H new ATOM 0 HE22 GLN A 56 -7.945 2.918 9.015 1.00 2.43 H new ATOM 922 N ILE A 57 -4.275 -0.739 6.379 1.00 42.34 N ATOM 923 CA ILE A 57 -2.995 -0.980 7.034 1.00 54.13 C ATOM 924 C ILE A 57 -2.023 0.168 6.780 1.00 72.22 C ATOM 925 O ILE A 57 -1.277 0.571 7.671 1.00 11.22 O ATOM 926 CB ILE A 57 -2.355 -2.295 6.552 1.00 74.20 C ATOM 927 CG1 ILE A 57 -3.285 -3.475 6.840 1.00 1.12 C ATOM 928 CG2 ILE A 57 -1.004 -2.502 7.221 1.00 74.43 C ATOM 929 CD1 ILE A 57 -3.519 -3.715 8.315 1.00 11.34 C ATOM 0 H ILE A 57 -4.579 -1.489 5.758 1.00 42.34 H new ATOM 0 HA ILE A 57 -3.196 -1.053 8.103 1.00 54.13 H new ATOM 0 HB ILE A 57 -2.200 -2.234 5.475 1.00 74.20 H new ATOM 0 HG12 ILE A 57 -4.244 -3.299 6.352 1.00 1.12 H new ATOM 0 HG13 ILE A 57 -2.863 -4.377 6.396 1.00 1.12 H new ATOM 0 HG21 ILE A 57 -0.564 -3.435 6.871 1.00 74.43 H new ATOM 0 HG22 ILE A 57 -0.343 -1.672 6.970 1.00 74.43 H new ATOM 0 HG23 ILE A 57 -1.136 -2.547 8.302 1.00 74.43 H new ATOM 0 HD11 ILE A 57 -4.187 -4.566 8.444 1.00 11.34 H new ATOM 0 HD12 ILE A 57 -2.568 -3.923 8.805 1.00 11.34 H new ATOM 0 HD13 ILE A 57 -3.970 -2.829 8.761 1.00 11.34 H new ATOM 941 N ALA A 58 -2.039 0.691 5.558 1.00 53.05 N ATOM 942 CA ALA A 58 -1.162 1.794 5.187 1.00 15.40 C ATOM 943 C ALA A 58 -1.440 3.027 6.042 1.00 70.34 C ATOM 944 O ALA A 58 -0.606 3.927 6.139 1.00 70.43 O ATOM 945 CB ALA A 58 -1.326 2.126 3.711 1.00 33.11 C ATOM 0 H ALA A 58 -2.650 0.368 4.808 1.00 53.05 H new ATOM 0 HA ALA A 58 -0.133 1.483 5.366 1.00 15.40 H new ATOM 0 HB1 ALA A 58 -0.665 2.952 3.448 1.00 33.11 H new ATOM 0 HB2 ALA A 58 -1.072 1.252 3.111 1.00 33.11 H new ATOM 0 HB3 ALA A 58 -2.359 2.412 3.515 1.00 33.11 H new ATOM 951 N ILE A 59 -2.617 3.060 6.658 1.00 2.04 N ATOM 952 CA ILE A 59 -3.003 4.182 7.505 1.00 11.12 C ATOM 953 C ILE A 59 -2.432 4.032 8.911 1.00 43.41 C ATOM 954 O ILE A 59 -1.903 4.986 9.483 1.00 60.02 O ATOM 955 CB ILE A 59 -4.535 4.316 7.597 1.00 4.51 C ATOM 956 CG1 ILE A 59 -5.141 4.464 6.201 1.00 63.04 C ATOM 957 CG2 ILE A 59 -4.911 5.504 8.471 1.00 24.44 C ATOM 958 CD1 ILE A 59 -6.641 4.272 6.169 1.00 62.42 C ATOM 0 H ILE A 59 -3.319 2.324 6.587 1.00 2.04 H new ATOM 0 HA ILE A 59 -2.594 5.081 7.044 1.00 11.12 H new ATOM 0 HB ILE A 59 -4.937 3.411 8.053 1.00 4.51 H new ATOM 0 HG12 ILE A 59 -4.901 5.454 5.813 1.00 63.04 H new ATOM 0 HG13 ILE A 59 -4.676 3.739 5.533 1.00 63.04 H new ATOM 0 HG21 ILE A 59 -5.997 5.586 8.526 1.00 24.44 H new ATOM 0 HG22 ILE A 59 -4.506 5.361 9.473 1.00 24.44 H new ATOM 0 HG23 ILE A 59 -4.500 6.417 8.040 1.00 24.44 H new ATOM 0 HD11 ILE A 59 -7.001 4.391 5.147 1.00 62.42 H new ATOM 0 HD12 ILE A 59 -6.888 3.272 6.526 1.00 62.42 H new ATOM 0 HD13 ILE A 59 -7.117 5.014 6.810 1.00 62.42 H new ATOM 970 N THR A 60 -2.540 2.828 9.463 1.00 64.24 N ATOM 971 CA THR A 60 -2.033 2.553 10.801 1.00 44.12 C ATOM 972 C THR A 60 -0.558 2.168 10.763 1.00 51.20 C ATOM 973 O THR A 60 0.063 1.945 11.802 1.00 13.41 O ATOM 974 CB THR A 60 -2.828 1.423 11.482 1.00 73.41 C ATOM 975 OG1 THR A 60 -2.466 0.158 10.915 1.00 41.24 O ATOM 976 CG2 THR A 60 -4.325 1.644 11.324 1.00 11.44 C ATOM 0 H THR A 60 -2.974 2.027 9.004 1.00 64.24 H new ATOM 0 HA THR A 60 -2.152 3.470 11.378 1.00 44.12 H new ATOM 0 HB THR A 60 -2.585 1.428 12.545 1.00 73.41 H new ATOM 0 HG1 THR A 60 -2.975 -0.555 11.355 1.00 41.24 H new ATOM 0 HG21 THR A 60 -4.866 0.834 11.813 1.00 11.44 H new ATOM 0 HG22 THR A 60 -4.603 2.594 11.781 1.00 11.44 H new ATOM 0 HG23 THR A 60 -4.580 1.663 10.264 1.00 11.44 H new ATOM 984 N ARG A 61 -0.002 2.094 9.558 1.00 61.35 N ATOM 985 CA ARG A 61 1.400 1.736 9.384 1.00 61.30 C ATOM 986 C ARG A 61 2.182 2.887 8.759 1.00 50.23 C ATOM 987 O ARG A 61 3.230 3.287 9.267 1.00 44.15 O ATOM 988 CB ARG A 61 1.526 0.486 8.511 1.00 71.03 C ATOM 989 CG ARG A 61 0.939 -0.764 9.146 1.00 12.35 C ATOM 990 CD ARG A 61 1.586 -1.062 10.489 1.00 3.14 C ATOM 991 NE ARG A 61 1.816 -2.491 10.681 1.00 14.10 N ATOM 992 CZ ARG A 61 2.457 -2.999 11.728 1.00 14.14 C ATOM 993 NH1 ARG A 61 2.928 -2.197 12.673 1.00 20.44 N ATOM 994 NH2 ARG A 61 2.626 -4.310 11.832 1.00 21.22 N ATOM 0 H ARG A 61 -0.502 2.277 8.688 1.00 61.35 H new ATOM 0 HA ARG A 61 1.819 1.527 10.368 1.00 61.30 H new ATOM 0 HB2 ARG A 61 1.028 0.667 7.558 1.00 71.03 H new ATOM 0 HB3 ARG A 61 2.579 0.311 8.292 1.00 71.03 H new ATOM 0 HG2 ARG A 61 -0.135 -0.636 9.279 1.00 12.35 H new ATOM 0 HG3 ARG A 61 1.079 -1.613 8.477 1.00 12.35 H new ATOM 0 HD2 ARG A 61 2.534 -0.529 10.560 1.00 3.14 H new ATOM 0 HD3 ARG A 61 0.949 -0.687 11.290 1.00 3.14 H new ATOM 0 HE ARG A 61 1.465 -3.135 9.972 1.00 14.10 H new ATOM 0 HH11 ARG A 61 2.798 -1.188 12.597 1.00 20.44 H new ATOM 0 HH12 ARG A 61 3.420 -2.589 13.476 1.00 20.44 H new ATOM 0 HH21 ARG A 61 2.264 -4.930 11.108 1.00 21.22 H new ATOM 0 HH22 ARG A 61 3.118 -4.699 12.636 1.00 21.22 H new ATOM 1008 N LEU A 62 1.666 3.415 7.655 1.00 33.21 N ATOM 1009 CA LEU A 62 2.315 4.521 6.960 1.00 62.41 C ATOM 1010 C LEU A 62 1.688 5.855 7.353 1.00 4.02 C ATOM 1011 O LEU A 62 1.917 6.875 6.704 1.00 3.43 O ATOM 1012 CB LEU A 62 2.216 4.325 5.446 1.00 40.41 C ATOM 1013 CG LEU A 62 3.509 3.919 4.736 1.00 32.34 C ATOM 1014 CD1 LEU A 62 3.243 3.635 3.265 1.00 4.45 C ATOM 1015 CD2 LEU A 62 4.565 5.002 4.891 1.00 64.45 C ATOM 0 H LEU A 62 0.800 3.095 7.222 1.00 33.21 H new ATOM 0 HA LEU A 62 3.365 4.535 7.251 1.00 62.41 H new ATOM 0 HB2 LEU A 62 1.461 3.564 5.247 1.00 40.41 H new ATOM 0 HB3 LEU A 62 1.857 5.254 5.002 1.00 40.41 H new ATOM 0 HG LEU A 62 3.885 3.006 5.198 1.00 32.34 H new ATOM 0 HD11 LEU A 62 4.174 3.348 2.776 1.00 4.45 H new ATOM 0 HD12 LEU A 62 2.521 2.824 3.176 1.00 4.45 H new ATOM 0 HD13 LEU A 62 2.844 4.530 2.788 1.00 4.45 H new ATOM 0 HD21 LEU A 62 5.478 4.696 4.380 1.00 64.45 H new ATOM 0 HD22 LEU A 62 4.199 5.932 4.455 1.00 64.45 H new ATOM 0 HD23 LEU A 62 4.776 5.156 5.949 1.00 64.45 H new ATOM 1027 N LYS A 63 0.899 5.839 8.422 1.00 53.22 N ATOM 1028 CA LYS A 63 0.241 7.047 8.905 1.00 31.02 C ATOM 1029 C LYS A 63 -0.503 7.751 7.775 1.00 41.20 C ATOM 1030 O LYS A 63 -0.646 8.974 7.781 1.00 33.03 O ATOM 1031 CB LYS A 63 1.268 7.998 9.524 1.00 12.30 C ATOM 1032 CG LYS A 63 1.640 7.644 10.954 1.00 43.30 C ATOM 1033 CD LYS A 63 1.998 8.883 11.760 1.00 71.45 C ATOM 1034 CE LYS A 63 0.949 9.179 12.821 1.00 70.31 C ATOM 1035 NZ LYS A 63 1.123 8.322 14.027 1.00 54.42 N ATOM 0 H LYS A 63 0.700 5.002 8.970 1.00 53.22 H new ATOM 0 HA LYS A 63 -0.483 6.757 9.667 1.00 31.02 H new ATOM 0 HB2 LYS A 63 2.170 7.995 8.911 1.00 12.30 H new ATOM 0 HB3 LYS A 63 0.871 9.013 9.501 1.00 12.30 H new ATOM 0 HG2 LYS A 63 0.807 7.127 11.430 1.00 43.30 H new ATOM 0 HG3 LYS A 63 2.484 6.954 10.951 1.00 43.30 H new ATOM 0 HD2 LYS A 63 2.968 8.741 12.236 1.00 71.45 H new ATOM 0 HD3 LYS A 63 2.093 9.739 11.091 1.00 71.45 H new ATOM 0 HE2 LYS A 63 1.010 10.228 13.109 1.00 70.31 H new ATOM 0 HE3 LYS A 63 -0.045 9.020 12.403 1.00 70.31 H new ATOM 0 HZ1 LYS A 63 0.389 8.554 14.727 1.00 54.42 H new ATOM 0 HZ2 LYS A 63 1.040 7.321 13.757 1.00 54.42 H new ATOM 0 HZ3 LYS A 63 2.062 8.492 14.441 1.00 54.42 H new ATOM 1049 N TRP A 64 -0.974 6.973 6.808 1.00 34.12 N ATOM 1050 CA TRP A 64 -1.705 7.523 5.673 1.00 74.11 C ATOM 1051 C TRP A 64 -3.034 8.123 6.120 1.00 44.44 C ATOM 1052 O TRP A 64 -3.603 7.714 7.131 1.00 43.32 O ATOM 1053 CB TRP A 64 -1.950 6.437 4.623 1.00 52.12 C ATOM 1054 CG TRP A 64 -2.445 6.976 3.315 1.00 73.53 C ATOM 1055 CD1 TRP A 64 -1.876 7.969 2.570 1.00 63.33 C ATOM 1056 CD2 TRP A 64 -3.610 6.552 2.599 1.00 33.33 C ATOM 1057 NE1 TRP A 64 -2.617 8.188 1.434 1.00 1.51 N ATOM 1058 CE2 TRP A 64 -3.685 7.331 1.427 1.00 15.24 C ATOM 1059 CE3 TRP A 64 -4.595 5.589 2.832 1.00 32.02 C ATOM 1060 CZ2 TRP A 64 -4.708 7.176 0.495 1.00 44.21 C ATOM 1061 CZ3 TRP A 64 -5.609 5.437 1.906 1.00 34.52 C ATOM 1062 CH2 TRP A 64 -5.660 6.226 0.749 1.00 23.24 C ATOM 0 H TRP A 64 -0.863 5.959 6.787 1.00 34.12 H new ATOM 0 HA TRP A 64 -1.100 8.315 5.233 1.00 74.11 H new ATOM 0 HB2 TRP A 64 -1.023 5.889 4.454 1.00 52.12 H new ATOM 0 HB3 TRP A 64 -2.676 5.723 5.012 1.00 52.12 H new ATOM 0 HD1 TRP A 64 -0.976 8.504 2.835 1.00 63.33 H new ATOM 0 HE1 TRP A 64 -2.406 8.877 0.713 1.00 1.51 H new ATOM 0 HE3 TRP A 64 -4.564 4.975 3.720 1.00 32.02 H new ATOM 0 HZ2 TRP A 64 -4.749 7.784 -0.397 1.00 44.21 H new ATOM 0 HZ3 TRP A 64 -6.376 4.697 2.077 1.00 34.52 H new ATOM 0 HH2 TRP A 64 -6.466 6.082 0.044 1.00 23.24 H new ATOM 1073 N VAL A 65 -3.524 9.097 5.358 1.00 52.52 N ATOM 1074 CA VAL A 65 -4.787 9.753 5.676 1.00 44.51 C ATOM 1075 C VAL A 65 -5.489 10.234 4.411 1.00 54.34 C ATOM 1076 O VAL A 65 -4.975 11.090 3.691 1.00 10.34 O ATOM 1077 CB VAL A 65 -4.574 10.953 6.619 1.00 14.11 C ATOM 1078 CG1 VAL A 65 -4.264 10.475 8.029 1.00 32.40 C ATOM 1079 CG2 VAL A 65 -3.464 11.851 6.096 1.00 44.52 C ATOM 0 H VAL A 65 -3.066 9.448 4.517 1.00 52.52 H new ATOM 0 HA VAL A 65 -5.412 9.013 6.176 1.00 44.51 H new ATOM 0 HB VAL A 65 -5.495 11.535 6.652 1.00 14.11 H new ATOM 0 HG11 VAL A 65 -4.117 11.336 8.681 1.00 32.40 H new ATOM 0 HG12 VAL A 65 -5.095 9.876 8.401 1.00 32.40 H new ATOM 0 HG13 VAL A 65 -3.358 9.870 8.017 1.00 32.40 H new ATOM 0 HG21 VAL A 65 -3.327 12.693 6.774 1.00 44.52 H new ATOM 0 HG22 VAL A 65 -2.536 11.283 6.032 1.00 44.52 H new ATOM 0 HG23 VAL A 65 -3.732 12.222 5.107 1.00 44.52 H new ATOM 1089 N GLU A 66 -6.668 9.679 4.148 1.00 61.32 N ATOM 1090 CA GLU A 66 -7.441 10.051 2.968 1.00 2.31 C ATOM 1091 C GLU A 66 -7.606 11.566 2.883 1.00 32.11 C ATOM 1092 O GLU A 66 -7.519 12.282 3.880 1.00 13.23 O ATOM 1093 CB GLU A 66 -8.814 9.377 2.998 1.00 41.40 C ATOM 1094 CG GLU A 66 -9.494 9.441 4.355 1.00 23.55 C ATOM 1095 CD GLU A 66 -9.427 8.124 5.103 1.00 0.24 C ATOM 1096 OE1 GLU A 66 -10.039 7.142 4.635 1.00 41.12 O ATOM 1097 OE2 GLU A 66 -8.761 8.076 6.160 1.00 71.42 O ATOM 0 H GLU A 66 -7.109 8.971 4.735 1.00 61.32 H new ATOM 0 HA GLU A 66 -6.898 9.712 2.086 1.00 2.31 H new ATOM 0 HB2 GLU A 66 -9.458 9.849 2.256 1.00 41.40 H new ATOM 0 HB3 GLU A 66 -8.703 8.333 2.705 1.00 41.40 H new ATOM 0 HG2 GLU A 66 -9.025 10.220 4.956 1.00 23.55 H new ATOM 0 HG3 GLU A 66 -10.538 9.726 4.221 1.00 23.55 H new ATOM 1104 N PRO A 67 -7.850 12.065 1.662 1.00 2.42 N ATOM 1105 CA PRO A 67 -8.034 13.499 1.416 1.00 43.10 C ATOM 1106 C PRO A 67 -9.341 14.025 2.000 1.00 44.25 C ATOM 1107 O PRO A 67 -9.386 15.123 2.555 1.00 42.15 O ATOM 1108 CB PRO A 67 -8.052 13.597 -0.111 1.00 31.31 C ATOM 1109 CG PRO A 67 -8.506 12.254 -0.571 1.00 41.52 C ATOM 1110 CD PRO A 67 -7.967 11.270 0.429 1.00 24.10 C ATOM 0 HA PRO A 67 -7.253 14.097 1.886 1.00 43.10 H new ATOM 0 HB2 PRO A 67 -8.729 14.381 -0.450 1.00 31.31 H new ATOM 0 HB3 PRO A 67 -7.064 13.837 -0.504 1.00 31.31 H new ATOM 0 HG2 PRO A 67 -9.594 12.205 -0.619 1.00 41.52 H new ATOM 0 HG3 PRO A 67 -8.133 12.037 -1.572 1.00 41.52 H new ATOM 0 HD2 PRO A 67 -8.639 10.422 0.560 1.00 24.10 H new ATOM 0 HD3 PRO A 67 -7.003 10.868 0.117 1.00 24.10 H new TER 1118 PRO A 67