USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 398 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 VAL N :NH3+ -162:sc= -0.0855 (180deg=-0.545) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.156) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ -163:sc= -1.51 (180deg=-1.82!) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 THR OG1 : rot -170:sc= -0.146 USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.0911 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : B 9 ASN : amide:sc= -0.706 K(o=-0.71,f=-3) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 HIS : no HD1:sc= -0.0565 X(o=-0.056,f=-0.056) USER MOD Single : B 22 ASN : amide:sc= -1.27 K(o=-1.3,f=-5.9!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.970 0.704 -21.927 1.00 3.00 N ATOM 2 CA VAL A 1 -3.274 2.124 -21.797 1.00 12.15 C ATOM 3 C VAL A 1 -2.865 2.650 -20.426 1.00 73.51 C ATOM 4 O VAL A 1 -3.617 2.537 -19.458 1.00 10.21 O ATOM 5 CB VAL A 1 -4.774 2.400 -22.016 1.00 51.42 C ATOM 6 CG1 VAL A 1 -5.069 3.885 -21.876 1.00 73.13 C ATOM 7 CG2 VAL A 1 -5.216 1.885 -23.377 1.00 72.51 C ATOM 0 H1 VAL A 1 -2.966 0.440 -22.933 1.00 3.00 H new ATOM 0 H2 VAL A 1 -2.035 0.510 -21.515 1.00 3.00 H new ATOM 0 H3 VAL A 1 -3.692 0.147 -21.426 1.00 3.00 H new ATOM 0 HA VAL A 1 -2.702 2.642 -22.567 1.00 12.15 H new ATOM 0 HB VAL A 1 -5.340 1.869 -21.251 1.00 51.42 H new ATOM 0 HG11 VAL A 1 -6.133 4.061 -22.034 1.00 73.13 H new ATOM 0 HG12 VAL A 1 -4.790 4.219 -20.876 1.00 73.13 H new ATOM 0 HG13 VAL A 1 -4.495 4.441 -22.617 1.00 73.13 H new ATOM 0 HG21 VAL A 1 -6.278 2.088 -23.515 1.00 72.51 H new ATOM 0 HG22 VAL A 1 -4.646 2.387 -24.159 1.00 72.51 H new ATOM 0 HG23 VAL A 1 -5.042 0.811 -23.434 1.00 72.51 H new ATOM 17 N ALA A 2 -1.671 3.226 -20.350 1.00 13.15 N ATOM 18 CA ALA A 2 -1.163 3.771 -19.098 1.00 42.45 C ATOM 19 C ALA A 2 -1.048 5.291 -19.167 1.00 5.25 C ATOM 20 O ALA A 2 -0.008 5.826 -19.548 1.00 45.12 O ATOM 21 CB ALA A 2 0.185 3.153 -18.760 1.00 40.23 C ATOM 0 H ALA A 2 -1.036 3.327 -21.142 1.00 13.15 H new ATOM 0 HA ALA A 2 -1.872 3.521 -18.309 1.00 42.45 H new ATOM 0 HB1 ALA A 2 0.552 3.570 -17.822 1.00 40.23 H new ATOM 0 HB2 ALA A 2 0.075 2.073 -18.659 1.00 40.23 H new ATOM 0 HB3 ALA A 2 0.896 3.372 -19.557 1.00 40.23 H new ATOM 27 N ARG A 3 -2.124 5.979 -18.799 1.00 33.13 N ATOM 28 CA ARG A 3 -2.144 7.436 -18.822 1.00 53.52 C ATOM 29 C ARG A 3 -2.348 7.999 -17.418 1.00 4.30 C ATOM 30 O ARG A 3 -2.043 9.161 -17.154 1.00 63.12 O ATOM 31 CB ARG A 3 -3.252 7.937 -19.750 1.00 61.12 C ATOM 32 CG ARG A 3 -4.505 7.078 -19.722 1.00 51.23 C ATOM 33 CD ARG A 3 -5.591 7.648 -20.621 1.00 51.11 C ATOM 34 NE ARG A 3 -6.903 7.080 -20.321 1.00 23.34 N ATOM 35 CZ ARG A 3 -8.007 7.387 -20.994 1.00 12.21 C ATOM 36 NH1 ARG A 3 -7.957 8.251 -21.997 1.00 23.41 N ATOM 37 NH2 ARG A 3 -9.164 6.828 -20.661 1.00 25.13 N ATOM 0 H ARG A 3 -2.993 5.550 -18.481 1.00 33.13 H new ATOM 0 HA ARG A 3 -1.181 7.782 -19.197 1.00 53.52 H new ATOM 0 HB2 ARG A 3 -3.515 8.957 -19.470 1.00 61.12 H new ATOM 0 HB3 ARG A 3 -2.870 7.975 -20.770 1.00 61.12 H new ATOM 0 HG2 ARG A 3 -4.260 6.065 -20.042 1.00 51.23 H new ATOM 0 HG3 ARG A 3 -4.877 7.008 -18.700 1.00 51.23 H new ATOM 0 HD2 ARG A 3 -5.629 8.731 -20.502 1.00 51.11 H new ATOM 0 HD3 ARG A 3 -5.340 7.450 -21.663 1.00 51.11 H new ATOM 0 HE ARG A 3 -6.976 6.412 -19.554 1.00 23.34 H new ATOM 0 HH11 ARG A 3 -7.069 8.683 -22.255 1.00 23.41 H new ATOM 0 HH12 ARG A 3 -8.806 8.485 -22.512 1.00 23.41 H new ATOM 0 HH21 ARG A 3 -9.206 6.163 -19.889 1.00 25.13 H new ATOM 0 HH22 ARG A 3 -10.012 7.063 -21.177 1.00 25.13 H new ATOM 51 N GLY A 4 -2.866 7.165 -16.521 1.00 61.30 N ATOM 52 CA GLY A 4 -3.103 7.598 -15.156 1.00 14.40 C ATOM 53 C GLY A 4 -1.816 7.854 -14.398 1.00 44.44 C ATOM 54 O GLY A 4 -1.823 8.500 -13.349 1.00 32.11 O ATOM 0 H GLY A 4 -3.126 6.198 -16.715 1.00 61.30 H new ATOM 0 HA2 GLY A 4 -3.703 8.508 -15.166 1.00 14.40 H new ATOM 0 HA3 GLY A 4 -3.684 6.839 -14.633 1.00 14.40 H new ATOM 58 N TRP A 5 -0.708 7.346 -14.927 1.00 40.04 N ATOM 59 CA TRP A 5 0.593 7.523 -14.291 1.00 0.03 C ATOM 60 C TRP A 5 1.569 8.217 -15.234 1.00 63.11 C ATOM 61 O TRP A 5 2.677 8.583 -14.838 1.00 22.24 O ATOM 62 CB TRP A 5 1.159 6.169 -13.858 1.00 65.54 C ATOM 63 CG TRP A 5 0.102 5.133 -13.617 1.00 41.44 C ATOM 64 CD1 TRP A 5 -0.945 5.219 -12.745 1.00 1.51 C ATOM 65 CD2 TRP A 5 -0.007 3.856 -14.256 1.00 51.44 C ATOM 66 NE1 TRP A 5 -1.699 4.071 -12.802 1.00 30.03 N ATOM 67 CE2 TRP A 5 -1.145 3.220 -13.722 1.00 45.14 C ATOM 68 CE3 TRP A 5 0.744 3.189 -15.226 1.00 42.51 C ATOM 69 CZ2 TRP A 5 -1.545 1.950 -14.127 1.00 64.51 C ATOM 70 CZ3 TRP A 5 0.345 1.929 -15.628 1.00 44.03 C ATOM 71 CH2 TRP A 5 -0.791 1.321 -15.080 1.00 72.41 C ATOM 0 H TRP A 5 -0.684 6.809 -15.794 1.00 40.04 H new ATOM 0 HA TRP A 5 0.458 8.152 -13.411 1.00 0.03 H new ATOM 0 HB2 TRP A 5 1.844 5.807 -14.625 1.00 65.54 H new ATOM 0 HB3 TRP A 5 1.742 6.302 -12.947 1.00 65.54 H new ATOM 0 HD1 TRP A 5 -1.151 6.064 -12.105 1.00 1.51 H new ATOM 0 HE1 TRP A 5 -2.535 3.883 -12.249 1.00 30.03 H new ATOM 0 HE3 TRP A 5 1.622 3.650 -15.655 1.00 42.51 H new ATOM 0 HZ2 TRP A 5 -2.419 1.478 -13.704 1.00 64.51 H new ATOM 0 HZ3 TRP A 5 0.919 1.404 -16.377 1.00 44.03 H new ATOM 0 HH2 TRP A 5 -1.078 0.336 -15.416 1.00 72.41 H new ATOM 82 N LYS A 6 1.153 8.398 -16.483 1.00 72.12 N ATOM 83 CA LYS A 6 1.990 9.051 -17.482 1.00 54.10 C ATOM 84 C LYS A 6 1.553 10.496 -17.698 1.00 63.54 C ATOM 85 O LYS A 6 2.314 11.315 -18.214 1.00 2.41 O ATOM 86 CB LYS A 6 1.931 8.286 -18.806 1.00 34.34 C ATOM 87 CG LYS A 6 2.563 9.032 -19.969 1.00 34.11 C ATOM 88 CD LYS A 6 1.520 9.765 -20.794 1.00 74.42 C ATOM 89 CE LYS A 6 2.007 11.144 -21.212 1.00 1.33 C ATOM 90 NZ LYS A 6 1.380 11.591 -22.486 1.00 2.12 N ATOM 0 H LYS A 6 0.240 8.101 -16.828 1.00 72.12 H new ATOM 0 HA LYS A 6 3.016 9.051 -17.115 1.00 54.10 H new ATOM 0 HB2 LYS A 6 2.434 7.327 -18.684 1.00 34.34 H new ATOM 0 HB3 LYS A 6 0.890 8.072 -19.046 1.00 34.34 H new ATOM 0 HG2 LYS A 6 3.295 9.745 -19.590 1.00 34.11 H new ATOM 0 HG3 LYS A 6 3.102 8.329 -20.604 1.00 34.11 H new ATOM 0 HD2 LYS A 6 1.279 9.179 -21.681 1.00 74.42 H new ATOM 0 HD3 LYS A 6 0.601 9.862 -20.217 1.00 74.42 H new ATOM 0 HE2 LYS A 6 1.781 11.863 -20.424 1.00 1.33 H new ATOM 0 HE3 LYS A 6 3.091 11.127 -21.327 1.00 1.33 H new ATOM 0 HZ1 LYS A 6 1.738 12.535 -22.737 1.00 2.12 H new ATOM 0 HZ2 LYS A 6 1.616 10.919 -23.244 1.00 2.12 H new ATOM 0 HZ3 LYS A 6 0.347 11.632 -22.369 1.00 2.12 H new ATOM 104 N ARG A 7 0.322 10.804 -17.300 1.00 20.34 N ATOM 105 CA ARG A 7 -0.216 12.150 -17.450 1.00 24.23 C ATOM 106 C ARG A 7 -0.363 12.831 -16.093 1.00 44.43 C ATOM 107 O ARG A 7 -0.182 14.043 -15.971 1.00 22.43 O ATOM 108 CB ARG A 7 -1.571 12.104 -18.159 1.00 42.41 C ATOM 109 CG ARG A 7 -2.286 13.445 -18.192 1.00 11.11 C ATOM 110 CD ARG A 7 -3.630 13.376 -17.483 1.00 5.24 C ATOM 111 NE ARG A 7 -4.747 13.522 -18.412 1.00 23.03 N ATOM 112 CZ ARG A 7 -5.113 14.683 -18.946 1.00 73.12 C ATOM 113 NH1 ARG A 7 -4.454 15.792 -18.642 1.00 23.30 N ATOM 114 NH2 ARG A 7 -6.141 14.735 -19.783 1.00 2.12 N ATOM 0 H ARG A 7 -0.321 10.139 -16.871 1.00 20.34 H new ATOM 0 HA ARG A 7 0.483 12.729 -18.054 1.00 24.23 H new ATOM 0 HB2 ARG A 7 -1.425 11.754 -19.181 1.00 42.41 H new ATOM 0 HB3 ARG A 7 -2.208 11.374 -17.660 1.00 42.41 H new ATOM 0 HG2 ARG A 7 -1.662 14.203 -17.719 1.00 11.11 H new ATOM 0 HG3 ARG A 7 -2.434 13.754 -19.227 1.00 11.11 H new ATOM 0 HD2 ARG A 7 -3.716 12.423 -16.960 1.00 5.24 H new ATOM 0 HD3 ARG A 7 -3.682 14.160 -16.728 1.00 5.24 H new ATOM 0 HE ARG A 7 -5.276 12.687 -18.665 1.00 23.03 H new ATOM 0 HH11 ARG A 7 -3.664 15.756 -17.997 1.00 23.30 H new ATOM 0 HH12 ARG A 7 -4.736 16.682 -19.053 1.00 23.30 H new ATOM 0 HH21 ARG A 7 -6.651 13.884 -20.017 1.00 2.12 H new ATOM 0 HH22 ARG A 7 -6.421 15.626 -20.192 1.00 2.12 H new ATOM 128 N LYS A 8 -0.692 12.044 -15.075 1.00 74.32 N ATOM 129 CA LYS A 8 -0.864 12.570 -13.724 1.00 3.25 C ATOM 130 C LYS A 8 0.455 12.538 -12.958 1.00 42.24 C ATOM 131 O LYS A 8 0.653 11.698 -12.079 1.00 22.33 O ATOM 132 CB LYS A 8 -1.923 11.762 -12.972 1.00 50.15 C ATOM 133 CG LYS A 8 -3.300 12.402 -12.988 1.00 24.21 C ATOM 134 CD LYS A 8 -3.832 12.545 -14.404 1.00 32.13 C ATOM 135 CE LYS A 8 -5.313 12.895 -14.411 1.00 14.31 C ATOM 136 NZ LYS A 8 -5.536 14.366 -14.387 1.00 44.41 N ATOM 0 H LYS A 8 -0.845 11.039 -15.159 1.00 74.32 H new ATOM 0 HA LYS A 8 -1.194 13.606 -13.802 1.00 3.25 H new ATOM 0 HB2 LYS A 8 -1.989 10.767 -13.412 1.00 50.15 H new ATOM 0 HB3 LYS A 8 -1.603 11.633 -11.938 1.00 50.15 H new ATOM 0 HG2 LYS A 8 -3.990 11.798 -12.398 1.00 24.21 H new ATOM 0 HG3 LYS A 8 -3.252 13.383 -12.516 1.00 24.21 H new ATOM 0 HD2 LYS A 8 -3.272 13.319 -14.928 1.00 32.13 H new ATOM 0 HD3 LYS A 8 -3.675 11.614 -14.949 1.00 32.13 H new ATOM 0 HE2 LYS A 8 -5.782 12.471 -15.299 1.00 14.31 H new ATOM 0 HE3 LYS A 8 -5.798 12.440 -13.547 1.00 14.31 H new ATOM 0 HZ1 LYS A 8 -6.512 14.564 -14.089 1.00 44.41 H new ATOM 0 HZ2 LYS A 8 -4.873 14.807 -13.717 1.00 44.41 H new ATOM 0 HZ3 LYS A 8 -5.378 14.757 -15.338 1.00 44.41 H new ATOM 150 N CYS A 9 1.351 13.460 -13.294 1.00 75.33 N ATOM 151 CA CYS A 9 2.650 13.538 -12.636 1.00 32.21 C ATOM 152 C CYS A 9 2.516 14.125 -11.234 1.00 21.41 C ATOM 153 O CYS A 9 2.823 13.479 -10.233 1.00 54.23 O ATOM 154 CB CYS A 9 3.615 14.386 -13.466 1.00 10.43 C ATOM 155 SG CYS A 9 4.896 13.430 -14.314 1.00 60.34 S ATOM 0 H CYS A 9 1.202 14.163 -14.018 1.00 75.33 H new ATOM 0 HA CYS A 9 3.047 12.527 -12.550 1.00 32.21 H new ATOM 0 HB2 CYS A 9 3.045 14.946 -14.207 1.00 10.43 H new ATOM 0 HB3 CYS A 9 4.094 15.116 -12.813 1.00 10.43 H new ATOM 0 HG CYS A 9 5.661 14.234 -14.991 1.00 60.34 H new ATOM 161 N PRO A 10 2.046 15.379 -11.161 1.00 51.34 N ATOM 162 CA PRO A 10 1.861 16.081 -9.887 1.00 70.23 C ATOM 163 C PRO A 10 0.715 15.500 -9.065 1.00 12.33 C ATOM 164 O PRO A 10 0.599 15.766 -7.869 1.00 70.53 O ATOM 165 CB PRO A 10 1.537 17.514 -10.316 1.00 71.03 C ATOM 166 CG PRO A 10 0.959 17.380 -11.682 1.00 32.31 C ATOM 167 CD PRO A 10 1.659 16.208 -12.314 1.00 24.44 C ATOM 0 HA PRO A 10 2.739 16.001 -9.247 1.00 70.23 H new ATOM 0 HB2 PRO A 10 0.830 17.982 -9.631 1.00 71.03 H new ATOM 0 HB3 PRO A 10 2.432 18.136 -10.324 1.00 71.03 H new ATOM 0 HG2 PRO A 10 -0.117 17.213 -11.636 1.00 32.31 H new ATOM 0 HG3 PRO A 10 1.116 18.289 -12.263 1.00 32.31 H new ATOM 0 HD2 PRO A 10 1.002 15.667 -12.995 1.00 24.44 H new ATOM 0 HD3 PRO A 10 2.528 16.523 -12.892 1.00 24.44 H new ATOM 175 N LEU A 11 -0.128 14.703 -9.715 1.00 50.22 N ATOM 176 CA LEU A 11 -1.264 14.083 -9.043 1.00 40.11 C ATOM 177 C LEU A 11 -0.878 12.729 -8.458 1.00 54.41 C ATOM 178 O LEU A 11 -1.161 12.439 -7.295 1.00 64.42 O ATOM 179 CB LEU A 11 -2.429 13.915 -10.021 1.00 44.42 C ATOM 180 CG LEU A 11 -3.044 15.207 -10.561 1.00 1.50 C ATOM 181 CD1 LEU A 11 -2.288 15.683 -11.792 1.00 63.44 C ATOM 182 CD2 LEU A 11 -4.517 15.003 -10.883 1.00 54.34 C ATOM 0 H LEU A 11 -0.046 14.472 -10.705 1.00 50.22 H new ATOM 0 HA LEU A 11 -1.573 14.736 -8.227 1.00 40.11 H new ATOM 0 HB2 LEU A 11 -2.085 13.319 -10.866 1.00 44.42 H new ATOM 0 HB3 LEU A 11 -3.213 13.342 -9.526 1.00 44.42 H new ATOM 0 HG LEU A 11 -2.965 15.975 -9.791 1.00 1.50 H new ATOM 0 HD11 LEU A 11 -2.739 16.603 -12.163 1.00 63.44 H new ATOM 0 HD12 LEU A 11 -1.247 15.869 -11.530 1.00 63.44 H new ATOM 0 HD13 LEU A 11 -2.336 14.918 -12.567 1.00 63.44 H new ATOM 0 HD21 LEU A 11 -4.938 15.933 -11.266 1.00 54.34 H new ATOM 0 HD22 LEU A 11 -4.620 14.221 -11.635 1.00 54.34 H new ATOM 0 HD23 LEU A 11 -5.050 14.709 -9.979 1.00 54.34 H new ATOM 194 N PHE A 12 -0.227 11.902 -9.270 1.00 52.10 N ATOM 195 CA PHE A 12 0.200 10.579 -8.832 1.00 12.21 C ATOM 196 C PHE A 12 1.489 10.663 -8.019 1.00 65.24 C ATOM 197 O PHE A 12 1.903 9.692 -7.388 1.00 62.14 O ATOM 198 CB PHE A 12 0.405 9.660 -10.039 1.00 55.23 C ATOM 199 CG PHE A 12 0.622 8.222 -9.667 1.00 14.33 C ATOM 200 CD1 PHE A 12 1.654 7.493 -10.238 1.00 52.25 C ATOM 201 CD2 PHE A 12 -0.205 7.597 -8.747 1.00 51.23 C ATOM 202 CE1 PHE A 12 1.857 6.169 -9.897 1.00 13.12 C ATOM 203 CE2 PHE A 12 -0.006 6.274 -8.402 1.00 10.05 C ATOM 204 CZ PHE A 12 1.026 5.558 -8.979 1.00 31.02 C ATOM 0 H PHE A 12 0.016 12.125 -10.235 1.00 52.10 H new ATOM 0 HA PHE A 12 -0.583 10.165 -8.197 1.00 12.21 H new ATOM 0 HB2 PHE A 12 -0.465 9.731 -10.691 1.00 55.23 H new ATOM 0 HB3 PHE A 12 1.263 10.012 -10.612 1.00 55.23 H new ATOM 0 HD1 PHE A 12 2.307 7.965 -10.957 1.00 52.25 H new ATOM 0 HD2 PHE A 12 -1.014 8.151 -8.295 1.00 51.23 H new ATOM 0 HE1 PHE A 12 2.665 5.613 -10.348 1.00 13.12 H new ATOM 0 HE2 PHE A 12 -0.656 5.800 -7.682 1.00 10.05 H new ATOM 0 HZ PHE A 12 1.182 4.523 -8.712 1.00 31.02 H new ATOM 214 N GLY A 13 2.118 11.835 -8.040 1.00 1.43 N ATOM 215 CA GLY A 13 3.353 12.026 -7.302 1.00 20.21 C ATOM 216 C GLY A 13 3.113 12.318 -5.834 1.00 2.25 C ATOM 217 O GLY A 13 3.343 11.463 -4.978 1.00 40.13 O ATOM 0 H GLY A 13 1.795 12.654 -8.554 1.00 1.43 H new ATOM 0 HA2 GLY A 13 3.970 11.132 -7.395 1.00 20.21 H new ATOM 0 HA3 GLY A 13 3.914 12.848 -7.746 1.00 20.21 H new ATOM 221 N LYS A 14 2.650 13.527 -5.541 1.00 63.14 N ATOM 222 CA LYS A 14 2.377 13.931 -4.167 1.00 10.21 C ATOM 223 C LYS A 14 0.917 13.681 -3.805 1.00 23.32 C ATOM 224 O LYS A 14 0.584 13.461 -2.641 1.00 11.35 O ATOM 225 CB LYS A 14 2.717 15.411 -3.971 1.00 34.44 C ATOM 226 CG LYS A 14 1.921 16.341 -4.871 1.00 1.13 C ATOM 227 CD LYS A 14 0.782 17.006 -4.119 1.00 53.34 C ATOM 228 CE LYS A 14 1.038 18.492 -3.920 1.00 42.54 C ATOM 229 NZ LYS A 14 -0.224 19.244 -3.674 1.00 53.35 N ATOM 0 H LYS A 14 2.455 14.246 -6.238 1.00 63.14 H new ATOM 0 HA LYS A 14 3.003 13.330 -3.508 1.00 10.21 H new ATOM 0 HB2 LYS A 14 2.536 15.682 -2.931 1.00 34.44 H new ATOM 0 HB3 LYS A 14 3.780 15.559 -4.159 1.00 34.44 H new ATOM 0 HG2 LYS A 14 2.582 17.105 -5.282 1.00 1.13 H new ATOM 0 HG3 LYS A 14 1.521 15.778 -5.715 1.00 1.13 H new ATOM 0 HD2 LYS A 14 -0.149 16.867 -4.669 1.00 53.34 H new ATOM 0 HD3 LYS A 14 0.655 16.525 -3.149 1.00 53.34 H new ATOM 0 HE2 LYS A 14 1.716 18.634 -3.078 1.00 42.54 H new ATOM 0 HE3 LYS A 14 1.536 18.896 -4.802 1.00 42.54 H new ATOM 0 HZ1 LYS A 14 -0.007 20.253 -3.543 1.00 53.35 H new ATOM 0 HZ2 LYS A 14 -0.861 19.129 -4.488 1.00 53.35 H new ATOM 0 HZ3 LYS A 14 -0.686 18.876 -2.818 1.00 53.35 H new ATOM 243 N GLY A 15 0.048 13.715 -4.812 1.00 54.30 N ATOM 244 CA GLY A 15 -1.365 13.489 -4.578 1.00 31.51 C ATOM 245 C GLY A 15 -1.680 12.035 -4.287 1.00 73.15 C ATOM 246 O GLY A 15 -2.134 11.302 -5.164 1.00 74.21 O ATOM 0 H GLY A 15 0.298 13.895 -5.784 1.00 54.30 H new ATOM 0 HA2 GLY A 15 -1.694 14.103 -3.740 1.00 31.51 H new ATOM 0 HA3 GLY A 15 -1.931 13.812 -5.452 1.00 31.51 H new ATOM 250 N GLY A 16 -1.436 11.615 -3.048 1.00 11.10 N ATOM 251 CA GLY A 16 -1.700 10.241 -2.666 1.00 74.42 C ATOM 252 C GLY A 16 -3.184 9.940 -2.571 1.00 1.34 C ATOM 253 O GLY A 16 -3.637 8.880 -3.001 1.00 61.21 O ATOM 0 H GLY A 16 -1.060 12.202 -2.303 1.00 11.10 H new ATOM 0 HA2 GLY A 16 -1.242 9.571 -3.393 1.00 74.42 H new ATOM 0 HA3 GLY A 16 -1.229 10.038 -1.704 1.00 74.42 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 -7.880 10.672 -15.024 1.00 74.35 N ATOM 259 CA LYS B 1 -7.545 9.576 -15.925 1.00 51.33 C ATOM 260 C LYS B 1 -7.012 8.377 -15.147 1.00 24.25 C ATOM 261 O LYS B 1 -7.144 7.233 -15.584 1.00 24.34 O ATOM 262 CB LYS B 1 -6.506 10.034 -16.952 1.00 41.10 C ATOM 263 CG LYS B 1 -7.111 10.474 -18.273 1.00 24.35 C ATOM 264 CD LYS B 1 -7.946 11.733 -18.113 1.00 1.20 C ATOM 265 CE LYS B 1 -9.425 11.453 -18.334 1.00 12.31 C ATOM 266 NZ LYS B 1 -9.749 11.290 -19.778 1.00 65.41 N ATOM 0 H1 LYS B 1 -8.495 11.351 -15.517 1.00 74.35 H new ATOM 0 H2 LYS B 1 -8.376 10.297 -14.191 1.00 74.35 H new ATOM 0 H3 LYS B 1 -7.008 11.151 -14.721 1.00 74.35 H new ATOM 0 HA LYS B 1 -8.454 9.274 -16.446 1.00 51.33 H new ATOM 0 HB2 LYS B 1 -5.932 10.860 -16.532 1.00 41.10 H new ATOM 0 HB3 LYS B 1 -5.806 9.219 -17.136 1.00 41.10 H new ATOM 0 HG2 LYS B 1 -6.316 10.654 -18.996 1.00 24.35 H new ATOM 0 HG3 LYS B 1 -7.732 9.673 -18.674 1.00 24.35 H new ATOM 0 HD2 LYS B 1 -7.798 12.145 -17.115 1.00 1.20 H new ATOM 0 HD3 LYS B 1 -7.608 12.488 -18.823 1.00 1.20 H new ATOM 0 HE2 LYS B 1 -9.708 10.549 -17.794 1.00 12.31 H new ATOM 0 HE3 LYS B 1 -10.015 12.270 -17.919 1.00 12.31 H new ATOM 0 HZ1 LYS B 1 -10.766 11.101 -19.886 1.00 65.41 H new ATOM 0 HZ2 LYS B 1 -9.503 12.161 -20.290 1.00 65.41 H new ATOM 0 HZ3 LYS B 1 -9.205 10.494 -20.168 1.00 65.41 H new ATOM 280 N TYR B 2 -6.412 8.644 -13.994 1.00 53.54 N ATOM 281 CA TYR B 2 -5.858 7.586 -13.156 1.00 25.10 C ATOM 282 C TYR B 2 -6.933 6.986 -12.256 1.00 71.44 C ATOM 283 O TYR B 2 -6.650 6.130 -11.419 1.00 54.00 O ATOM 284 CB TYR B 2 -4.709 8.129 -12.305 1.00 1.00 C ATOM 285 CG TYR B 2 -5.168 8.909 -11.094 1.00 32.22 C ATOM 286 CD1 TYR B 2 -5.657 10.204 -11.220 1.00 2.42 C ATOM 287 CD2 TYR B 2 -5.113 8.351 -9.822 1.00 60.23 C ATOM 288 CE1 TYR B 2 -6.076 10.920 -10.117 1.00 72.33 C ATOM 289 CE2 TYR B 2 -5.532 9.061 -8.713 1.00 34.14 C ATOM 290 CZ TYR B 2 -6.013 10.344 -8.865 1.00 2.34 C ATOM 291 OH TYR B 2 -6.430 11.054 -7.763 1.00 75.14 O ATOM 0 H TYR B 2 -6.296 9.585 -13.617 1.00 53.54 H new ATOM 0 HA TYR B 2 -5.477 6.801 -13.810 1.00 25.10 H new ATOM 0 HB2 TYR B 2 -4.087 7.297 -11.976 1.00 1.00 H new ATOM 0 HB3 TYR B 2 -4.082 8.771 -12.924 1.00 1.00 H new ATOM 0 HD1 TYR B 2 -5.710 10.658 -12.198 1.00 2.42 H new ATOM 0 HD2 TYR B 2 -4.737 7.346 -9.698 1.00 60.23 H new ATOM 0 HE1 TYR B 2 -6.451 11.926 -10.233 1.00 72.33 H new ATOM 0 HE2 TYR B 2 -5.483 8.613 -7.732 1.00 34.14 H new ATOM 0 HH TYR B 2 -6.321 10.504 -6.959 1.00 75.14 H new ATOM 301 N GLU B 3 -8.169 7.444 -12.434 1.00 13.12 N ATOM 302 CA GLU B 3 -9.287 6.953 -11.638 1.00 32.44 C ATOM 303 C GLU B 3 -9.745 5.583 -12.130 1.00 33.23 C ATOM 304 O GLU B 3 -10.649 4.975 -11.554 1.00 11.44 O ATOM 305 CB GLU B 3 -10.454 7.941 -11.691 1.00 3.03 C ATOM 306 CG GLU B 3 -10.870 8.316 -13.104 1.00 40.23 C ATOM 307 CD GLU B 3 -12.374 8.289 -13.296 1.00 75.50 C ATOM 308 OE1 GLU B 3 -12.923 9.282 -13.816 1.00 23.32 O ATOM 309 OE2 GLU B 3 -13.002 7.275 -12.925 1.00 14.10 O ATOM 0 H GLU B 3 -8.420 8.154 -13.122 1.00 13.12 H new ATOM 0 HA GLU B 3 -8.949 6.856 -10.606 1.00 32.44 H new ATOM 0 HB2 GLU B 3 -11.309 7.508 -11.172 1.00 3.03 H new ATOM 0 HB3 GLU B 3 -10.178 8.846 -11.150 1.00 3.03 H new ATOM 0 HG2 GLU B 3 -10.496 9.313 -13.336 1.00 40.23 H new ATOM 0 HG3 GLU B 3 -10.405 7.628 -13.810 1.00 40.23 H new ATOM 316 N ILE B 4 -9.116 5.103 -13.198 1.00 75.35 N ATOM 317 CA ILE B 4 -9.459 3.805 -13.766 1.00 3.12 C ATOM 318 C ILE B 4 -8.284 2.838 -13.675 1.00 51.34 C ATOM 319 O ILE B 4 -8.459 1.621 -13.748 1.00 4.03 O ATOM 320 CB ILE B 4 -9.891 3.932 -15.240 1.00 41.45 C ATOM 321 CG1 ILE B 4 -10.240 2.557 -15.812 1.00 41.44 C ATOM 322 CG2 ILE B 4 -8.790 4.590 -16.059 1.00 10.24 C ATOM 323 CD1 ILE B 4 -9.092 1.897 -16.541 1.00 0.33 C ATOM 0 H ILE B 4 -8.367 5.593 -13.687 1.00 75.35 H new ATOM 0 HA ILE B 4 -10.294 3.416 -13.183 1.00 3.12 H new ATOM 0 HB ILE B 4 -10.780 4.561 -15.291 1.00 41.45 H new ATOM 0 HG12 ILE B 4 -10.566 1.907 -15.000 1.00 41.44 H new ATOM 0 HG13 ILE B 4 -11.083 2.660 -16.496 1.00 41.44 H new ATOM 0 HG21 ILE B 4 -9.109 4.673 -17.098 1.00 10.24 H new ATOM 0 HG22 ILE B 4 -8.586 5.584 -15.662 1.00 10.24 H new ATOM 0 HG23 ILE B 4 -7.885 3.985 -16.005 1.00 10.24 H new ATOM 0 HD11 ILE B 4 -9.412 0.926 -16.920 1.00 0.33 H new ATOM 0 HD12 ILE B 4 -8.780 2.527 -17.374 1.00 0.33 H new ATOM 0 HD13 ILE B 4 -8.255 1.762 -15.855 1.00 0.33 H new ATOM 335 N THR B 5 -7.083 3.387 -13.512 1.00 54.21 N ATOM 336 CA THR B 5 -5.878 2.573 -13.410 1.00 74.10 C ATOM 337 C THR B 5 -5.449 2.408 -11.956 1.00 33.02 C ATOM 338 O THR B 5 -4.625 1.551 -11.634 1.00 43.25 O ATOM 339 CB THR B 5 -4.716 3.188 -14.210 1.00 44.52 C ATOM 340 OG1 THR B 5 -5.033 4.535 -14.580 1.00 74.30 O ATOM 341 CG2 THR B 5 -4.425 2.369 -15.458 1.00 65.20 C ATOM 0 H THR B 5 -6.920 4.392 -13.448 1.00 54.21 H new ATOM 0 HA THR B 5 -6.119 1.596 -13.828 1.00 74.10 H new ATOM 0 HB THR B 5 -3.828 3.185 -13.578 1.00 44.52 H new ATOM 0 HG1 THR B 5 -4.366 4.865 -15.217 1.00 74.30 H new ATOM 0 HG21 THR B 5 -3.600 2.823 -16.007 1.00 65.20 H new ATOM 0 HG22 THR B 5 -4.154 1.353 -15.171 1.00 65.20 H new ATOM 0 HG23 THR B 5 -5.312 2.343 -16.091 1.00 65.20 H new ATOM 349 N THR B 6 -6.013 3.234 -11.080 1.00 13.20 N ATOM 350 CA THR B 6 -5.688 3.179 -9.660 1.00 10.21 C ATOM 351 C THR B 6 -6.716 2.356 -8.892 1.00 42.34 C ATOM 352 O THR B 6 -6.383 1.686 -7.914 1.00 40.15 O ATOM 353 CB THR B 6 -5.613 4.590 -9.046 1.00 72.22 C ATOM 354 OG1 THR B 6 -4.655 4.611 -7.982 1.00 35.21 O ATOM 355 CG2 THR B 6 -6.973 5.024 -8.520 1.00 33.12 C ATOM 0 H THR B 6 -6.697 3.949 -11.329 1.00 13.20 H new ATOM 0 HA THR B 6 -4.711 2.703 -9.577 1.00 10.21 H new ATOM 0 HB THR B 6 -5.304 5.286 -9.826 1.00 72.22 H new ATOM 0 HG1 THR B 6 -4.612 5.512 -7.598 1.00 35.21 H new ATOM 0 HG21 THR B 6 -6.895 6.023 -8.091 1.00 33.12 H new ATOM 0 HG22 THR B 6 -7.693 5.035 -9.338 1.00 33.12 H new ATOM 0 HG23 THR B 6 -7.306 4.325 -7.753 1.00 33.12 H new ATOM 363 N ILE B 7 -7.966 2.412 -9.340 1.00 12.01 N ATOM 364 CA ILE B 7 -9.041 1.671 -8.694 1.00 32.33 C ATOM 365 C ILE B 7 -8.765 0.171 -8.716 1.00 62.44 C ATOM 366 O ILE B 7 -9.209 -0.566 -7.834 1.00 62.41 O ATOM 367 CB ILE B 7 -10.397 1.941 -9.373 1.00 63.21 C ATOM 368 CG1 ILE B 7 -10.276 1.774 -10.890 1.00 55.45 C ATOM 369 CG2 ILE B 7 -10.894 3.337 -9.027 1.00 70.13 C ATOM 370 CD1 ILE B 7 -11.465 1.084 -11.518 1.00 34.53 C ATOM 0 H ILE B 7 -8.258 2.963 -10.147 1.00 12.01 H new ATOM 0 HA ILE B 7 -9.085 2.015 -7.661 1.00 32.33 H new ATOM 0 HB ILE B 7 -11.122 1.216 -9.003 1.00 63.21 H new ATOM 0 HG12 ILE B 7 -10.153 2.756 -11.347 1.00 55.45 H new ATOM 0 HG13 ILE B 7 -9.375 1.203 -11.114 1.00 55.45 H new ATOM 0 HG21 ILE B 7 -11.853 3.513 -9.514 1.00 70.13 H new ATOM 0 HG22 ILE B 7 -11.014 3.423 -7.947 1.00 70.13 H new ATOM 0 HG23 ILE B 7 -10.171 4.076 -9.372 1.00 70.13 H new ATOM 0 HD11 ILE B 7 -11.311 1.000 -12.594 1.00 34.53 H new ATOM 0 HD12 ILE B 7 -11.577 0.088 -11.089 1.00 34.53 H new ATOM 0 HD13 ILE B 7 -12.367 1.665 -11.325 1.00 34.53 H new ATOM 382 N HIS B 8 -8.028 -0.275 -9.727 1.00 4.33 N ATOM 383 CA HIS B 8 -7.690 -1.687 -9.862 1.00 2.34 C ATOM 384 C HIS B 8 -6.338 -1.986 -9.220 1.00 35.42 C ATOM 385 O HIS B 8 -5.933 -3.143 -9.116 1.00 23.03 O ATOM 386 CB HIS B 8 -7.666 -2.089 -11.338 1.00 30.22 C ATOM 387 CG HIS B 8 -8.786 -3.003 -11.728 1.00 20.50 C ATOM 388 ND1 HIS B 8 -10.115 -2.641 -11.650 1.00 74.21 N ATOM 389 CD2 HIS B 8 -8.771 -4.270 -12.203 1.00 31.32 C ATOM 390 CE1 HIS B 8 -10.868 -3.647 -12.058 1.00 45.32 C ATOM 391 NE2 HIS B 8 -10.076 -4.648 -12.400 1.00 63.41 N ATOM 0 H HIS B 8 -7.653 0.321 -10.465 1.00 4.33 H new ATOM 0 HA HIS B 8 -8.454 -2.269 -9.347 1.00 2.34 H new ATOM 0 HB2 HIS B 8 -7.712 -1.189 -11.952 1.00 30.22 H new ATOM 0 HB3 HIS B 8 -6.716 -2.577 -11.558 1.00 30.22 H new ATOM 0 HD2 HIS B 8 -7.895 -4.872 -12.392 1.00 31.32 H new ATOM 0 HE1 HIS B 8 -11.947 -3.651 -12.104 1.00 45.32 H new ATOM 0 HE2 HIS B 8 -10.384 -5.554 -12.753 1.00 63.41 H new ATOM 399 N ASN B 9 -5.647 -0.935 -8.792 1.00 13.23 N ATOM 400 CA ASN B 9 -4.341 -1.086 -8.161 1.00 13.12 C ATOM 401 C ASN B 9 -4.470 -1.748 -6.793 1.00 32.30 C ATOM 402 O ASN B 9 -3.476 -2.152 -6.189 1.00 54.42 O ATOM 403 CB ASN B 9 -3.661 0.277 -8.017 1.00 42.51 C ATOM 404 CG ASN B 9 -3.471 0.678 -6.566 1.00 25.11 C ATOM 405 OD1 ASN B 9 -2.521 0.249 -5.912 1.00 52.21 O ATOM 406 ND2 ASN B 9 -4.377 1.506 -6.058 1.00 31.05 N ATOM 0 H ASN B 9 -5.969 0.030 -8.870 1.00 13.23 H new ATOM 0 HA ASN B 9 -3.730 -1.725 -8.798 1.00 13.12 H new ATOM 0 HB2 ASN B 9 -2.691 0.250 -8.514 1.00 42.51 H new ATOM 0 HB3 ASN B 9 -4.259 1.034 -8.525 1.00 42.51 H new ATOM 0 HD21 ASN B 9 -4.301 1.812 -5.088 1.00 31.05 H new ATOM 0 HD22 ASN B 9 -5.148 1.836 -6.638 1.00 31.05 H new ATOM 413 N LEU B 10 -5.703 -1.859 -6.310 1.00 62.24 N ATOM 414 CA LEU B 10 -5.965 -2.473 -5.013 1.00 11.04 C ATOM 415 C LEU B 10 -5.872 -3.994 -5.103 1.00 53.14 C ATOM 416 O LEU B 10 -5.986 -4.694 -4.095 1.00 41.23 O ATOM 417 CB LEU B 10 -7.347 -2.064 -4.501 1.00 21.42 C ATOM 418 CG LEU B 10 -8.533 -2.838 -5.080 1.00 53.24 C ATOM 419 CD1 LEU B 10 -8.878 -4.026 -4.195 1.00 62.11 C ATOM 420 CD2 LEU B 10 -9.738 -1.924 -5.242 1.00 5.40 C ATOM 0 H LEU B 10 -6.537 -1.532 -6.797 1.00 62.24 H new ATOM 0 HA LEU B 10 -5.208 -2.121 -4.312 1.00 11.04 H new ATOM 0 HB2 LEU B 10 -7.359 -2.177 -3.417 1.00 21.42 H new ATOM 0 HB3 LEU B 10 -7.492 -1.005 -4.712 1.00 21.42 H new ATOM 0 HG LEU B 10 -8.252 -3.213 -6.064 1.00 53.24 H new ATOM 0 HD11 LEU B 10 -9.724 -4.565 -4.622 1.00 62.11 H new ATOM 0 HD12 LEU B 10 -8.018 -4.693 -4.130 1.00 62.11 H new ATOM 0 HD13 LEU B 10 -9.139 -3.673 -3.197 1.00 62.11 H new ATOM 0 HD21 LEU B 10 -10.572 -2.491 -5.655 1.00 5.40 H new ATOM 0 HD22 LEU B 10 -10.021 -1.519 -4.270 1.00 5.40 H new ATOM 0 HD23 LEU B 10 -9.486 -1.106 -5.917 1.00 5.40 H new ATOM 432 N PHE B 11 -5.663 -4.498 -6.314 1.00 72.31 N ATOM 433 CA PHE B 11 -5.555 -5.936 -6.534 1.00 5.32 C ATOM 434 C PHE B 11 -4.216 -6.464 -6.027 1.00 74.13 C ATOM 435 O PHE B 11 -3.316 -6.764 -6.811 1.00 44.11 O ATOM 436 CB PHE B 11 -5.710 -6.258 -8.022 1.00 23.32 C ATOM 437 CG PHE B 11 -7.040 -6.866 -8.367 1.00 62.33 C ATOM 438 CD1 PHE B 11 -7.133 -7.860 -9.327 1.00 21.33 C ATOM 439 CD2 PHE B 11 -8.196 -6.442 -7.732 1.00 74.40 C ATOM 440 CE1 PHE B 11 -8.356 -8.422 -9.648 1.00 15.31 C ATOM 441 CE2 PHE B 11 -9.420 -7.000 -8.048 1.00 74.31 C ATOM 442 CZ PHE B 11 -9.500 -7.991 -9.007 1.00 60.02 C ATOM 0 H PHE B 11 -5.565 -3.933 -7.158 1.00 72.31 H new ATOM 0 HA PHE B 11 -6.354 -6.425 -5.977 1.00 5.32 H new ATOM 0 HB2 PHE B 11 -5.577 -5.343 -8.600 1.00 23.32 H new ATOM 0 HB3 PHE B 11 -4.917 -6.943 -8.322 1.00 23.32 H new ATOM 0 HD1 PHE B 11 -6.240 -8.200 -9.831 1.00 21.33 H new ATOM 0 HD2 PHE B 11 -8.140 -5.667 -6.982 1.00 74.40 H new ATOM 0 HE1 PHE B 11 -8.415 -9.196 -10.399 1.00 15.31 H new ATOM 0 HE2 PHE B 11 -10.314 -6.661 -7.545 1.00 74.31 H new ATOM 0 HZ PHE B 11 -10.456 -8.428 -9.255 1.00 60.02 H new ATOM 452 N ARG B 12 -4.092 -6.574 -4.708 1.00 71.41 N ATOM 453 CA ARG B 12 -2.865 -7.064 -4.094 1.00 13.40 C ATOM 454 C ARG B 12 -2.409 -8.364 -4.750 1.00 30.41 C ATOM 455 O ARG B 12 -1.212 -8.611 -4.901 1.00 55.14 O ATOM 456 CB ARG B 12 -3.072 -7.283 -2.593 1.00 1.54 C ATOM 457 CG ARG B 12 -3.106 -5.994 -1.789 1.00 64.20 C ATOM 458 CD ARG B 12 -4.382 -5.884 -0.969 1.00 44.21 C ATOM 459 NE ARG B 12 -4.582 -4.535 -0.446 1.00 63.13 N ATOM 460 CZ ARG B 12 -5.622 -4.183 0.300 1.00 64.52 C ATOM 461 NH1 ARG B 12 -6.553 -5.076 0.610 1.00 44.30 N ATOM 462 NH2 ARG B 12 -5.735 -2.935 0.738 1.00 4.13 N ATOM 0 H ARG B 12 -4.827 -6.330 -4.044 1.00 71.41 H new ATOM 0 HA ARG B 12 -2.090 -6.312 -4.241 1.00 13.40 H new ATOM 0 HB2 ARG B 12 -4.006 -7.822 -2.439 1.00 1.54 H new ATOM 0 HB3 ARG B 12 -2.271 -7.917 -2.213 1.00 1.54 H new ATOM 0 HG2 ARG B 12 -2.241 -5.954 -1.126 1.00 64.20 H new ATOM 0 HG3 ARG B 12 -3.031 -5.141 -2.463 1.00 64.20 H new ATOM 0 HD2 ARG B 12 -5.235 -6.163 -1.587 1.00 44.21 H new ATOM 0 HD3 ARG B 12 -4.343 -6.592 -0.141 1.00 44.21 H new ATOM 0 HE ARG B 12 -3.884 -3.824 -0.666 1.00 63.13 H new ATOM 0 HH11 ARG B 12 -6.471 -6.036 0.275 1.00 44.30 H new ATOM 0 HH12 ARG B 12 -7.351 -4.803 1.183 1.00 44.30 H new ATOM 0 HH21 ARG B 12 -5.022 -2.245 0.501 1.00 4.13 H new ATOM 0 HH22 ARG B 12 -6.535 -2.666 1.311 1.00 4.13 H new ATOM 476 N LYS B 13 -3.372 -9.193 -5.140 1.00 42.24 N ATOM 477 CA LYS B 13 -3.072 -10.468 -5.782 1.00 65.45 C ATOM 478 C LYS B 13 -2.374 -10.251 -7.121 1.00 32.45 C ATOM 479 O LYS B 13 -1.447 -10.981 -7.475 1.00 74.25 O ATOM 480 CB LYS B 13 -4.357 -11.273 -5.988 1.00 42.04 C ATOM 481 CG LYS B 13 -4.263 -12.705 -5.489 1.00 45.20 C ATOM 482 CD LYS B 13 -5.373 -13.569 -6.065 1.00 12.10 C ATOM 483 CE LYS B 13 -4.815 -14.691 -6.927 1.00 40.31 C ATOM 484 NZ LYS B 13 -5.587 -15.953 -6.762 1.00 12.04 N ATOM 0 H LYS B 13 -4.368 -9.005 -5.023 1.00 42.24 H new ATOM 0 HA LYS B 13 -2.402 -11.027 -5.129 1.00 65.45 H new ATOM 0 HB2 LYS B 13 -5.177 -10.771 -5.474 1.00 42.04 H new ATOM 0 HB3 LYS B 13 -4.604 -11.282 -7.050 1.00 42.04 H new ATOM 0 HG2 LYS B 13 -3.295 -13.124 -5.763 1.00 45.20 H new ATOM 0 HG3 LYS B 13 -4.319 -12.717 -4.400 1.00 45.20 H new ATOM 0 HD2 LYS B 13 -5.965 -13.992 -5.253 1.00 12.10 H new ATOM 0 HD3 LYS B 13 -6.045 -12.951 -6.660 1.00 12.10 H new ATOM 0 HE2 LYS B 13 -4.833 -14.388 -7.974 1.00 40.31 H new ATOM 0 HE3 LYS B 13 -3.772 -14.866 -6.664 1.00 40.31 H new ATOM 0 HZ1 LYS B 13 -5.176 -16.693 -7.366 1.00 12.04 H new ATOM 0 HZ2 LYS B 13 -5.549 -16.256 -5.768 1.00 12.04 H new ATOM 0 HZ3 LYS B 13 -6.577 -15.793 -7.037 1.00 12.04 H new ATOM 498 N LEU B 14 -2.826 -9.245 -7.863 1.00 55.52 N ATOM 499 CA LEU B 14 -2.244 -8.932 -9.163 1.00 73.14 C ATOM 500 C LEU B 14 -1.055 -7.989 -9.015 1.00 52.43 C ATOM 501 O LEU B 14 -1.188 -6.881 -8.493 1.00 3.55 O ATOM 502 CB LEU B 14 -3.297 -8.303 -10.077 1.00 13.25 C ATOM 503 CG LEU B 14 -2.977 -8.308 -11.572 1.00 15.32 C ATOM 504 CD1 LEU B 14 -3.954 -9.200 -12.323 1.00 25.35 C ATOM 505 CD2 LEU B 14 -3.007 -6.893 -12.129 1.00 74.21 C ATOM 0 H LEU B 14 -3.593 -8.633 -7.586 1.00 55.52 H new ATOM 0 HA LEU B 14 -1.893 -9.862 -9.609 1.00 73.14 H new ATOM 0 HB2 LEU B 14 -4.240 -8.828 -9.926 1.00 13.25 H new ATOM 0 HB3 LEU B 14 -3.452 -7.271 -9.763 1.00 13.25 H new ATOM 0 HG LEU B 14 -1.972 -8.708 -11.708 1.00 15.32 H new ATOM 0 HD11 LEU B 14 -3.711 -9.192 -13.386 1.00 25.35 H new ATOM 0 HD12 LEU B 14 -3.883 -10.219 -11.943 1.00 25.35 H new ATOM 0 HD13 LEU B 14 -4.969 -8.829 -12.180 1.00 25.35 H new ATOM 0 HD21 LEU B 14 -2.777 -6.916 -13.194 1.00 74.21 H new ATOM 0 HD22 LEU B 14 -3.998 -6.465 -11.981 1.00 74.21 H new ATOM 0 HD23 LEU B 14 -2.267 -6.282 -11.611 1.00 74.21 H new ATOM 517 N THR B 15 0.110 -8.435 -9.477 1.00 71.14 N ATOM 518 CA THR B 15 1.322 -7.630 -9.397 1.00 13.23 C ATOM 519 C THR B 15 1.074 -6.210 -9.890 1.00 54.02 C ATOM 520 O THR B 15 0.537 -6.005 -10.979 1.00 62.44 O ATOM 521 CB THR B 15 2.465 -8.255 -10.220 1.00 61.00 C ATOM 522 OG1 THR B 15 3.614 -7.399 -10.190 1.00 31.44 O ATOM 523 CG2 THR B 15 2.033 -8.482 -11.661 1.00 51.45 C ATOM 0 H THR B 15 0.239 -9.349 -9.910 1.00 71.14 H new ATOM 0 HA THR B 15 1.613 -7.600 -8.347 1.00 13.23 H new ATOM 0 HB THR B 15 2.718 -9.219 -9.777 1.00 61.00 H new ATOM 0 HG1 THR B 15 4.337 -7.803 -10.714 1.00 31.44 H new ATOM 0 HG21 THR B 15 2.856 -8.924 -12.222 1.00 51.45 H new ATOM 0 HG22 THR B 15 1.176 -9.156 -11.682 1.00 51.45 H new ATOM 0 HG23 THR B 15 1.756 -7.529 -12.112 1.00 51.45 H new ATOM 531 N HIS B 16 1.468 -5.231 -9.081 1.00 21.51 N ATOM 532 CA HIS B 16 1.287 -3.827 -9.437 1.00 14.43 C ATOM 533 C HIS B 16 2.630 -3.105 -9.492 1.00 54.41 C ATOM 534 O HIS B 16 2.696 -1.883 -9.350 1.00 35.41 O ATOM 535 CB HIS B 16 0.366 -3.138 -8.430 1.00 32.22 C ATOM 536 CG HIS B 16 0.524 -3.645 -7.029 1.00 11.35 C ATOM 537 ND1 HIS B 16 1.523 -3.216 -6.181 1.00 42.15 N ATOM 538 CD2 HIS B 16 -0.198 -4.549 -6.327 1.00 23.34 C ATOM 539 CE1 HIS B 16 1.409 -3.834 -5.020 1.00 14.55 C ATOM 540 NE2 HIS B 16 0.372 -4.649 -5.082 1.00 23.35 N ATOM 0 H HIS B 16 1.914 -5.383 -8.176 1.00 21.51 H new ATOM 0 HA HIS B 16 0.829 -3.784 -10.425 1.00 14.43 H new ATOM 0 HB2 HIS B 16 0.563 -2.066 -8.444 1.00 32.22 H new ATOM 0 HB3 HIS B 16 -0.669 -3.276 -8.743 1.00 32.22 H new ATOM 0 HD2 HIS B 16 -1.062 -5.091 -6.681 1.00 23.34 H new ATOM 0 HE1 HIS B 16 2.054 -3.696 -4.165 1.00 14.55 H new ATOM 0 HE2 HIS B 16 0.047 -5.254 -4.328 1.00 23.35 H new ATOM 548 N ARG B 17 3.699 -3.867 -9.699 1.00 12.11 N ATOM 549 CA ARG B 17 5.040 -3.300 -9.772 1.00 12.23 C ATOM 550 C ARG B 17 5.113 -2.211 -10.838 1.00 22.12 C ATOM 551 O ARG B 17 5.974 -1.332 -10.785 1.00 11.21 O ATOM 552 CB ARG B 17 6.065 -4.395 -10.074 1.00 21.11 C ATOM 553 CG ARG B 17 5.913 -5.005 -11.458 1.00 1.21 C ATOM 554 CD ARG B 17 6.789 -6.237 -11.623 1.00 72.30 C ATOM 555 NE ARG B 17 6.645 -6.839 -12.946 1.00 63.25 N ATOM 556 CZ ARG B 17 7.473 -7.758 -13.429 1.00 64.41 C ATOM 557 NH1 ARG B 17 8.497 -8.179 -12.702 1.00 13.24 N ATOM 558 NH2 ARG B 17 7.276 -8.257 -14.643 1.00 12.31 N ATOM 0 H ARG B 17 3.662 -4.879 -9.819 1.00 12.11 H new ATOM 0 HA ARG B 17 5.271 -2.853 -8.805 1.00 12.23 H new ATOM 0 HB2 ARG B 17 7.068 -3.979 -9.977 1.00 21.11 H new ATOM 0 HB3 ARG B 17 5.973 -5.183 -9.327 1.00 21.11 H new ATOM 0 HG2 ARG B 17 4.870 -5.274 -11.626 1.00 1.21 H new ATOM 0 HG3 ARG B 17 6.177 -4.265 -12.214 1.00 1.21 H new ATOM 0 HD2 ARG B 17 7.832 -5.964 -11.461 1.00 72.30 H new ATOM 0 HD3 ARG B 17 6.529 -6.971 -10.861 1.00 72.30 H new ATOM 0 HE ARG B 17 5.866 -6.537 -13.531 1.00 63.25 H new ATOM 0 HH11 ARG B 17 8.651 -7.797 -11.769 1.00 13.24 H new ATOM 0 HH12 ARG B 17 9.131 -8.885 -13.075 1.00 13.24 H new ATOM 0 HH21 ARG B 17 6.488 -7.935 -15.205 1.00 12.31 H new ATOM 0 HH22 ARG B 17 7.912 -8.963 -15.014 1.00 12.31 H new ATOM 572 N LEU B 18 4.205 -2.276 -11.806 1.00 13.22 N ATOM 573 CA LEU B 18 4.166 -1.297 -12.885 1.00 23.14 C ATOM 574 C LEU B 18 3.199 -0.163 -12.558 1.00 11.45 C ATOM 575 O LEU B 18 2.672 0.495 -13.455 1.00 41.13 O ATOM 576 CB LEU B 18 3.756 -1.970 -14.197 1.00 34.41 C ATOM 577 CG LEU B 18 2.437 -2.742 -14.170 1.00 31.54 C ATOM 578 CD1 LEU B 18 1.455 -2.157 -15.174 1.00 60.14 C ATOM 579 CD2 LEU B 18 2.676 -4.218 -14.455 1.00 1.01 C ATOM 0 H LEU B 18 3.486 -2.997 -11.865 1.00 13.22 H new ATOM 0 HA LEU B 18 5.165 -0.876 -12.996 1.00 23.14 H new ATOM 0 HB2 LEU B 18 3.690 -1.204 -14.970 1.00 34.41 H new ATOM 0 HB3 LEU B 18 4.550 -2.656 -14.494 1.00 34.41 H new ATOM 0 HG LEU B 18 2.005 -2.650 -13.173 1.00 31.54 H new ATOM 0 HD11 LEU B 18 0.522 -2.719 -15.140 1.00 60.14 H new ATOM 0 HD12 LEU B 18 1.259 -1.114 -14.926 1.00 60.14 H new ATOM 0 HD13 LEU B 18 1.880 -2.218 -16.176 1.00 60.14 H new ATOM 0 HD21 LEU B 18 1.726 -4.752 -14.432 1.00 1.01 H new ATOM 0 HD22 LEU B 18 3.131 -4.330 -15.439 1.00 1.01 H new ATOM 0 HD23 LEU B 18 3.343 -4.631 -13.698 1.00 1.01 H new ATOM 591 N PHE B 19 2.973 0.060 -11.268 1.00 5.21 N ATOM 592 CA PHE B 19 2.070 1.115 -10.822 1.00 41.21 C ATOM 593 C PHE B 19 2.803 2.117 -9.935 1.00 73.34 C ATOM 594 O PHE B 19 2.749 3.325 -10.168 1.00 72.42 O ATOM 595 CB PHE B 19 0.885 0.514 -10.063 1.00 42.43 C ATOM 596 CG PHE B 19 -0.033 1.546 -9.472 1.00 25.55 C ATOM 597 CD1 PHE B 19 -0.320 1.542 -8.117 1.00 44.42 C ATOM 598 CD2 PHE B 19 -0.610 2.518 -10.273 1.00 3.40 C ATOM 599 CE1 PHE B 19 -1.165 2.490 -7.570 1.00 10.01 C ATOM 600 CE2 PHE B 19 -1.454 3.468 -9.732 1.00 60.35 C ATOM 601 CZ PHE B 19 -1.734 3.454 -8.380 1.00 11.20 C ATOM 0 H PHE B 19 3.402 -0.475 -10.513 1.00 5.21 H new ATOM 0 HA PHE B 19 1.699 1.639 -11.703 1.00 41.21 H new ATOM 0 HB2 PHE B 19 0.315 -0.123 -10.740 1.00 42.43 H new ATOM 0 HB3 PHE B 19 1.262 -0.126 -9.265 1.00 42.43 H new ATOM 0 HD1 PHE B 19 0.121 0.790 -7.480 1.00 44.42 H new ATOM 0 HD2 PHE B 19 -0.398 2.533 -11.332 1.00 3.40 H new ATOM 0 HE1 PHE B 19 -1.380 2.477 -6.512 1.00 10.01 H new ATOM 0 HE2 PHE B 19 -1.895 4.222 -10.367 1.00 60.35 H new ATOM 0 HZ PHE B 19 -2.396 4.195 -7.957 1.00 11.20 H new ATOM 611 N ARG B 20 3.486 1.607 -8.915 1.00 52.01 N ATOM 612 CA ARG B 20 4.227 2.456 -7.990 1.00 31.21 C ATOM 613 C ARG B 20 5.713 2.109 -8.006 1.00 13.00 C ATOM 614 O ARG B 20 6.562 2.960 -7.738 1.00 11.33 O ATOM 615 CB ARG B 20 3.673 2.309 -6.573 1.00 75.01 C ATOM 616 CG ARG B 20 3.908 0.935 -5.966 1.00 12.20 C ATOM 617 CD ARG B 20 3.251 0.809 -4.601 1.00 73.23 C ATOM 618 NE ARG B 20 4.080 0.058 -3.661 1.00 24.25 N ATOM 619 CZ ARG B 20 3.659 -0.342 -2.467 1.00 31.23 C ATOM 620 NH1 ARG B 20 2.425 -0.066 -2.068 1.00 64.55 N ATOM 621 NH2 ARG B 20 4.472 -1.022 -1.669 1.00 34.12 N ATOM 0 H ARG B 20 3.541 0.610 -8.708 1.00 52.01 H new ATOM 0 HA ARG B 20 4.109 3.491 -8.312 1.00 31.21 H new ATOM 0 HB2 ARG B 20 4.131 3.063 -5.933 1.00 75.01 H new ATOM 0 HB3 ARG B 20 2.602 2.512 -6.588 1.00 75.01 H new ATOM 0 HG2 ARG B 20 3.513 0.169 -6.633 1.00 12.20 H new ATOM 0 HG3 ARG B 20 4.979 0.755 -5.873 1.00 12.20 H new ATOM 0 HD2 ARG B 20 3.057 1.803 -4.199 1.00 73.23 H new ATOM 0 HD3 ARG B 20 2.285 0.315 -4.708 1.00 73.23 H new ATOM 0 HE ARG B 20 5.035 -0.172 -3.937 1.00 24.25 H new ATOM 0 HH11 ARG B 20 1.796 0.455 -2.679 1.00 64.55 H new ATOM 0 HH12 ARG B 20 2.105 -0.375 -1.150 1.00 64.55 H new ATOM 0 HH21 ARG B 20 5.422 -1.238 -1.973 1.00 34.12 H new ATOM 0 HH22 ARG B 20 4.148 -1.329 -0.752 1.00 34.12 H new ATOM 635 N ARG B 21 6.019 0.855 -8.319 1.00 11.15 N ATOM 636 CA ARG B 21 7.401 0.394 -8.367 1.00 12.12 C ATOM 637 C ARG B 21 8.095 0.887 -9.633 1.00 43.42 C ATOM 638 O ARG B 21 9.322 0.932 -9.703 1.00 43.01 O ATOM 639 CB ARG B 21 7.456 -1.133 -8.305 1.00 24.52 C ATOM 640 CG ARG B 21 8.491 -1.667 -7.329 1.00 35.41 C ATOM 641 CD ARG B 21 8.013 -2.943 -6.652 1.00 64.11 C ATOM 642 NE ARG B 21 9.071 -3.578 -5.871 1.00 64.24 N ATOM 643 CZ ARG B 21 8.848 -4.521 -4.963 1.00 14.12 C ATOM 644 NH1 ARG B 21 7.613 -4.938 -4.724 1.00 44.43 N ATOM 645 NH2 ARG B 21 9.864 -5.050 -4.292 1.00 22.44 N ATOM 0 H ARG B 21 5.328 0.139 -8.543 1.00 11.15 H new ATOM 0 HA ARG B 21 7.923 0.804 -7.503 1.00 12.12 H new ATOM 0 HB2 ARG B 21 6.474 -1.512 -8.023 1.00 24.52 H new ATOM 0 HB3 ARG B 21 7.674 -1.521 -9.300 1.00 24.52 H new ATOM 0 HG2 ARG B 21 9.424 -1.862 -7.857 1.00 35.41 H new ATOM 0 HG3 ARG B 21 8.704 -0.911 -6.573 1.00 35.41 H new ATOM 0 HD2 ARG B 21 7.170 -2.714 -6.001 1.00 64.11 H new ATOM 0 HD3 ARG B 21 7.652 -3.641 -7.408 1.00 64.11 H new ATOM 0 HE ARG B 21 10.034 -3.281 -6.032 1.00 64.24 H new ATOM 0 HH11 ARG B 21 6.830 -4.534 -5.238 1.00 44.43 H new ATOM 0 HH12 ARG B 21 7.445 -5.663 -4.026 1.00 44.43 H new ATOM 0 HH21 ARG B 21 10.816 -4.732 -4.474 1.00 22.44 H new ATOM 0 HH22 ARG B 21 9.693 -5.774 -3.595 1.00 22.44 H new ATOM 659 N ASN B 22 7.299 1.257 -10.632 1.00 11.42 N ATOM 660 CA ASN B 22 7.837 1.746 -11.896 1.00 63.45 C ATOM 661 C ASN B 22 7.350 3.164 -12.182 1.00 11.42 C ATOM 662 O ASN B 22 8.136 4.040 -12.546 1.00 50.03 O ATOM 663 CB ASN B 22 7.431 0.815 -13.042 1.00 52.54 C ATOM 664 CG ASN B 22 8.052 -0.562 -12.913 1.00 4.02 C ATOM 665 OD1 ASN B 22 7.361 -1.577 -13.005 1.00 54.44 O ATOM 666 ND2 ASN B 22 9.362 -0.603 -12.702 1.00 4.21 N ATOM 0 H ASN B 22 6.280 1.227 -10.590 1.00 11.42 H new ATOM 0 HA ASN B 22 8.924 1.762 -11.817 1.00 63.45 H new ATOM 0 HB2 ASN B 22 6.345 0.721 -13.063 1.00 52.54 H new ATOM 0 HB3 ASN B 22 7.731 1.259 -13.991 1.00 52.54 H new ATOM 0 HD21 ASN B 22 9.836 -1.502 -12.609 1.00 4.21 H new ATOM 0 HD22 ASN B 22 9.895 0.264 -12.633 1.00 4.21 H new ATOM 673 N PHE B 23 6.050 3.382 -12.015 1.00 13.20 N ATOM 674 CA PHE B 23 5.458 4.694 -12.255 1.00 15.24 C ATOM 675 C PHE B 23 5.328 5.478 -10.952 1.00 31.23 C ATOM 676 O PHE B 23 4.694 6.531 -10.910 1.00 65.12 O ATOM 677 CB PHE B 23 4.085 4.543 -12.912 1.00 61.41 C ATOM 678 CG PHE B 23 4.151 4.342 -14.398 1.00 24.15 C ATOM 679 CD1 PHE B 23 4.050 3.072 -14.944 1.00 31.10 C ATOM 680 CD2 PHE B 23 4.315 5.422 -15.252 1.00 35.21 C ATOM 681 CE1 PHE B 23 4.110 2.882 -16.312 1.00 61.04 C ATOM 682 CE2 PHE B 23 4.374 5.238 -16.620 1.00 0.43 C ATOM 683 CZ PHE B 23 4.273 3.967 -17.150 1.00 3.24 C ATOM 0 H PHE B 23 5.386 2.668 -11.715 1.00 13.20 H new ATOM 0 HA PHE B 23 6.116 5.246 -12.926 1.00 15.24 H new ATOM 0 HB2 PHE B 23 3.567 3.697 -12.462 1.00 61.41 H new ATOM 0 HB3 PHE B 23 3.490 5.431 -12.700 1.00 61.41 H new ATOM 0 HD1 PHE B 23 3.923 2.220 -14.292 1.00 31.10 H new ATOM 0 HD2 PHE B 23 4.398 6.418 -14.843 1.00 35.21 H new ATOM 0 HE1 PHE B 23 4.030 1.887 -16.724 1.00 61.04 H new ATOM 0 HE2 PHE B 23 4.499 6.088 -17.275 1.00 0.43 H new ATOM 0 HZ PHE B 23 4.321 3.822 -18.219 1.00 3.24 H new ATOM 693 N GLY B 24 5.934 4.955 -9.890 1.00 0.31 N ATOM 694 CA GLY B 24 5.875 5.618 -8.601 1.00 64.23 C ATOM 695 C GLY B 24 7.246 5.994 -8.078 1.00 11.32 C ATOM 696 O GLY B 24 7.375 6.879 -7.231 1.00 61.13 O ATOM 0 H GLY B 24 6.465 4.084 -9.900 1.00 0.31 H new ATOM 0 HA2 GLY B 24 5.263 6.516 -8.686 1.00 64.23 H new ATOM 0 HA3 GLY B 24 5.382 4.964 -7.882 1.00 64.23 H new ATOM 700 N TYR B 25 8.275 5.320 -8.581 1.00 73.04 N ATOM 701 CA TYR B 25 9.644 5.584 -8.156 1.00 50.53 C ATOM 702 C TYR B 25 10.031 7.033 -8.439 1.00 50.44 C ATOM 703 O TYR B 25 10.921 7.588 -7.792 1.00 5.00 O ATOM 704 CB TYR B 25 10.613 4.638 -8.866 1.00 60.02 C ATOM 705 CG TYR B 25 11.746 4.161 -7.988 1.00 54.40 C ATOM 706 CD1 TYR B 25 11.651 2.967 -7.283 1.00 72.11 C ATOM 707 CD2 TYR B 25 12.914 4.903 -7.861 1.00 53.44 C ATOM 708 CE1 TYR B 25 12.683 2.527 -6.478 1.00 54.44 C ATOM 709 CE2 TYR B 25 13.952 4.471 -7.059 1.00 3.41 C ATOM 710 CZ TYR B 25 13.833 3.283 -6.370 1.00 33.51 C ATOM 711 OH TYR B 25 14.865 2.849 -5.570 1.00 73.45 O ATOM 0 H TYR B 25 8.186 4.586 -9.284 1.00 73.04 H new ATOM 0 HA TYR B 25 9.703 5.413 -7.081 1.00 50.53 H new ATOM 0 HB2 TYR B 25 10.060 3.773 -9.233 1.00 60.02 H new ATOM 0 HB3 TYR B 25 11.028 5.144 -9.738 1.00 60.02 H new ATOM 0 HD1 TYR B 25 10.753 2.372 -7.366 1.00 72.11 H new ATOM 0 HD2 TYR B 25 13.012 5.834 -8.399 1.00 53.44 H new ATOM 0 HE1 TYR B 25 12.591 1.597 -5.936 1.00 54.44 H new ATOM 0 HE2 TYR B 25 14.852 5.061 -6.972 1.00 3.41 H new ATOM 0 HH TYR B 25 15.601 3.496 -5.605 1.00 73.45 H new ATOM 721 N THR B 26 9.357 7.640 -9.409 1.00 45.13 N ATOM 722 CA THR B 26 9.628 9.024 -9.779 1.00 3.35 C ATOM 723 C THR B 26 9.634 9.930 -8.553 1.00 4.52 C ATOM 724 O THR B 26 10.694 10.270 -8.025 1.00 5.41 O ATOM 725 CB THR B 26 8.591 9.550 -10.787 1.00 65.23 C ATOM 726 OG1 THR B 26 7.497 8.633 -10.888 1.00 63.50 O ATOM 727 CG2 THR B 26 9.220 9.749 -12.159 1.00 52.25 C ATOM 0 H THR B 26 8.618 7.195 -9.954 1.00 45.13 H new ATOM 0 HA THR B 26 10.614 9.039 -10.243 1.00 3.35 H new ATOM 0 HB THR B 26 8.226 10.513 -10.429 1.00 65.23 H new ATOM 0 HG1 THR B 26 6.841 8.976 -11.530 1.00 63.50 H new ATOM 0 HG21 THR B 26 8.467 10.121 -12.854 1.00 52.25 H new ATOM 0 HG22 THR B 26 10.034 10.470 -12.085 1.00 52.25 H new ATOM 0 HG23 THR B 26 9.610 8.798 -12.522 1.00 52.25 H new ATOM 735 N LEU B 27 8.446 10.318 -8.104 1.00 12.21 N ATOM 736 CA LEU B 27 8.314 11.185 -6.939 1.00 13.52 C ATOM 737 C LEU B 27 7.808 10.402 -5.732 1.00 23.31 C ATOM 738 O LEU B 27 8.134 10.723 -4.589 1.00 20.13 O ATOM 739 CB LEU B 27 7.364 12.344 -7.245 1.00 5.40 C ATOM 740 CG LEU B 27 8.020 13.647 -7.705 1.00 1.54 C ATOM 741 CD1 LEU B 27 6.973 14.615 -8.231 1.00 45.05 C ATOM 742 CD2 LEU B 27 8.810 14.277 -6.567 1.00 20.20 C ATOM 0 H LEU B 27 7.560 10.046 -8.529 1.00 12.21 H new ATOM 0 HA LEU B 27 9.300 11.585 -6.702 1.00 13.52 H new ATOM 0 HB2 LEU B 27 6.665 12.021 -8.016 1.00 5.40 H new ATOM 0 HB3 LEU B 27 6.777 12.552 -6.350 1.00 5.40 H new ATOM 0 HG LEU B 27 8.711 13.417 -8.516 1.00 1.54 H new ATOM 0 HD11 LEU B 27 7.458 15.536 -8.554 1.00 45.05 H new ATOM 0 HD12 LEU B 27 6.452 14.164 -9.076 1.00 45.05 H new ATOM 0 HD13 LEU B 27 6.256 14.840 -7.441 1.00 45.05 H new ATOM 0 HD21 LEU B 27 9.270 15.203 -6.912 1.00 20.20 H new ATOM 0 HD22 LEU B 27 8.140 14.493 -5.735 1.00 20.20 H new ATOM 0 HD23 LEU B 27 9.587 13.587 -6.238 1.00 20.20 H new ATOM 754 N ARG B 28 7.008 9.373 -5.995 1.00 13.52 N ATOM 755 CA ARG B 28 6.457 8.543 -4.931 1.00 72.14 C ATOM 756 C ARG B 28 7.497 7.549 -4.421 1.00 52.32 C ATOM 757 O ARG B 28 7.477 7.160 -3.253 1.00 0.55 O ATOM 758 CB ARG B 28 5.220 7.793 -5.428 1.00 71.41 C ATOM 759 CG ARG B 28 4.111 7.694 -4.394 1.00 64.33 C ATOM 760 CD ARG B 28 4.502 6.782 -3.242 1.00 21.23 C ATOM 761 NE ARG B 28 3.354 6.058 -2.704 1.00 33.14 N ATOM 762 CZ ARG B 28 3.419 5.262 -1.641 1.00 64.22 C ATOM 763 NH1 ARG B 28 4.570 5.091 -1.007 1.00 2.01 N ATOM 764 NH2 ARG B 28 2.330 4.637 -1.212 1.00 54.35 N ATOM 0 H ARG B 28 6.727 9.095 -6.935 1.00 13.52 H new ATOM 0 HA ARG B 28 6.171 9.197 -4.107 1.00 72.14 H new ATOM 0 HB2 ARG B 28 4.834 8.294 -6.315 1.00 71.41 H new ATOM 0 HB3 ARG B 28 5.513 6.788 -5.732 1.00 71.41 H new ATOM 0 HG2 ARG B 28 3.880 8.688 -4.010 1.00 64.33 H new ATOM 0 HG3 ARG B 28 3.204 7.316 -4.867 1.00 64.33 H new ATOM 0 HD2 ARG B 28 5.253 6.069 -3.583 1.00 21.23 H new ATOM 0 HD3 ARG B 28 4.961 7.374 -2.450 1.00 21.23 H new ATOM 0 HE ARG B 28 2.453 6.169 -3.169 1.00 33.14 H new ATOM 0 HH11 ARG B 28 5.409 5.571 -1.334 1.00 2.01 H new ATOM 0 HH12 ARG B 28 4.617 4.480 -0.192 1.00 2.01 H new ATOM 0 HH21 ARG B 28 1.443 4.767 -1.698 1.00 54.35 H new ATOM 0 HH22 ARG B 28 2.380 4.026 -0.396 1.00 54.35 H new TER 778 ARG B 28