USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 878 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 4 THR OG1 : rot 56:sc= 0.477 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.0757 (180deg=-0.312) USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.272 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 1.57 (180deg=1.32) USER MOD Single : A 48 LYS NZ :NH3+ 131:sc= 1.19 (180deg=0.721) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 54:sc= 0.577 USER MOD Single : B 20 LYS NZ :NH3+ -169:sc= -0.0563 (180deg=-0.253) USER MOD Single : B 25 THR OG1 : rot 76:sc= 0.361 USER MOD Single : B 47 LYS NZ :NH3+ -174:sc= 1.04 (180deg=0.994) USER MOD Single : B 48 LYS NZ :NH3+ 140:sc= 1.3 (180deg=0.564) USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 SER OG : rot 180:sc= -1.92! USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 3 3.901 -6.924 9.463 1.00 0.50 N ATOM 43 CA ALA A 3 2.471 -7.029 9.755 1.00 0.32 C ATOM 44 C ALA A 3 2.087 -6.010 10.819 1.00 0.37 C ATOM 45 O ALA A 3 1.814 -6.351 11.971 1.00 0.72 O ATOM 46 CB ALA A 3 2.082 -8.437 10.185 1.00 0.44 C ATOM 0 HA ALA A 3 1.921 -6.814 8.839 1.00 0.32 H new ATOM 0 HB1 ALA A 3 1.012 -8.472 10.392 1.00 0.44 H new ATOM 0 HB2 ALA A 3 2.320 -9.140 9.387 1.00 0.44 H new ATOM 0 HB3 ALA A 3 2.635 -8.709 11.084 1.00 0.44 H new ATOM 52 N THR A 4 2.095 -4.752 10.421 1.00 0.23 N ATOM 53 CA THR A 4 1.973 -3.649 11.351 1.00 0.26 C ATOM 54 C THR A 4 0.523 -3.327 11.687 1.00 0.27 C ATOM 55 O THR A 4 0.220 -2.904 12.801 1.00 0.41 O ATOM 56 CB THR A 4 2.695 -2.419 10.785 1.00 0.26 C ATOM 57 OG1 THR A 4 2.250 -2.166 9.444 1.00 0.23 O ATOM 58 CG2 THR A 4 4.200 -2.647 10.765 1.00 0.27 C ATOM 0 H THR A 4 2.186 -4.468 9.446 1.00 0.23 H new ATOM 0 HA THR A 4 2.444 -3.947 12.288 1.00 0.26 H new ATOM 0 HB THR A 4 2.466 -1.565 11.422 1.00 0.26 H new ATOM 0 HG1 THR A 4 1.275 -2.071 9.436 1.00 0.23 H new ATOM 0 HG21 THR A 4 4.696 -1.765 10.361 1.00 0.27 H new ATOM 0 HG22 THR A 4 4.554 -2.829 11.780 1.00 0.27 H new ATOM 0 HG23 THR A 4 4.429 -3.510 10.140 1.00 0.27 H new ATOM 66 N GLY A 5 -0.363 -3.546 10.729 1.00 0.21 N ATOM 67 CA GLY A 5 -1.775 -3.344 10.967 1.00 0.24 C ATOM 68 C GLY A 5 -2.116 -1.916 11.338 1.00 0.25 C ATOM 69 O GLY A 5 -2.817 -1.672 12.322 1.00 0.32 O ATOM 0 H GLY A 5 -0.128 -3.861 9.788 1.00 0.21 H new ATOM 0 HA2 GLY A 5 -2.332 -3.624 10.073 1.00 0.24 H new ATOM 0 HA3 GLY A 5 -2.101 -4.009 11.767 1.00 0.24 H new ATOM 73 N ILE A 6 -1.620 -0.968 10.559 1.00 0.21 N ATOM 74 CA ILE A 6 -1.976 0.424 10.759 1.00 0.22 C ATOM 75 C ILE A 6 -2.941 0.855 9.665 1.00 0.19 C ATOM 76 O ILE A 6 -2.554 1.053 8.522 1.00 0.17 O ATOM 77 CB ILE A 6 -0.739 1.374 10.821 1.00 0.23 C ATOM 78 CG1 ILE A 6 -1.151 2.845 10.652 1.00 0.26 C ATOM 79 CG2 ILE A 6 0.309 1.003 9.781 1.00 0.20 C ATOM 80 CD1 ILE A 6 -2.115 3.350 11.706 1.00 0.31 C ATOM 0 H ILE A 6 -0.974 -1.137 9.788 1.00 0.21 H new ATOM 0 HA ILE A 6 -2.457 0.505 11.734 1.00 0.22 H new ATOM 0 HB ILE A 6 -0.297 1.250 11.810 1.00 0.23 H new ATOM 0 HG12 ILE A 6 -0.255 3.465 10.670 1.00 0.26 H new ATOM 0 HG13 ILE A 6 -1.607 2.972 9.670 1.00 0.26 H new ATOM 0 HG21 ILE A 6 1.154 1.687 9.856 1.00 0.20 H new ATOM 0 HG22 ILE A 6 0.651 -0.017 9.957 1.00 0.20 H new ATOM 0 HG23 ILE A 6 -0.127 1.073 8.784 1.00 0.20 H new ATOM 0 HD11 ILE A 6 -2.352 4.396 11.511 1.00 0.31 H new ATOM 0 HD12 ILE A 6 -3.030 2.758 11.676 1.00 0.31 H new ATOM 0 HD13 ILE A 6 -1.657 3.260 12.691 1.00 0.31 H new ATOM 92 N VAL A 7 -4.206 0.967 10.028 1.00 0.24 N ATOM 93 CA VAL A 7 -5.228 1.377 9.081 1.00 0.22 C ATOM 94 C VAL A 7 -5.113 2.868 8.801 1.00 0.23 C ATOM 95 O VAL A 7 -4.985 3.676 9.721 1.00 0.28 O ATOM 96 CB VAL A 7 -6.644 1.031 9.576 1.00 0.23 C ATOM 97 CG1 VAL A 7 -7.695 1.771 8.752 1.00 0.24 C ATOM 98 CG2 VAL A 7 -6.859 -0.476 9.503 1.00 0.23 C ATOM 0 H VAL A 7 -4.550 0.780 10.970 1.00 0.24 H new ATOM 0 HA VAL A 7 -5.063 0.823 8.157 1.00 0.22 H new ATOM 0 HB VAL A 7 -6.747 1.350 10.613 1.00 0.23 H new ATOM 0 HG11 VAL A 7 -8.690 1.514 9.116 1.00 0.24 H new ATOM 0 HG12 VAL A 7 -7.540 2.846 8.846 1.00 0.24 H new ATOM 0 HG13 VAL A 7 -7.606 1.482 7.705 1.00 0.24 H new ATOM 0 HG21 VAL A 7 -7.862 -0.718 9.854 1.00 0.23 H new ATOM 0 HG22 VAL A 7 -6.745 -0.810 8.472 1.00 0.23 H new ATOM 0 HG23 VAL A 7 -6.124 -0.979 10.131 1.00 0.23 H new ATOM 108 N ARG A 8 -5.157 3.217 7.528 1.00 0.22 N ATOM 109 CA ARG A 8 -5.039 4.571 7.060 1.00 0.25 C ATOM 110 C ARG A 8 -6.204 4.813 6.119 1.00 0.23 C ATOM 111 O ARG A 8 -6.341 4.122 5.111 1.00 0.26 O ATOM 112 CB ARG A 8 -3.704 4.747 6.306 1.00 0.26 C ATOM 113 CG ARG A 8 -3.754 5.673 5.081 1.00 0.27 C ATOM 114 CD ARG A 8 -4.256 7.066 5.427 1.00 0.31 C ATOM 115 NE ARG A 8 -3.421 7.741 6.415 1.00 1.12 N ATOM 116 CZ ARG A 8 -3.460 9.053 6.631 1.00 1.16 C ATOM 117 NH1 ARG A 8 -4.249 9.825 5.888 1.00 0.64 N ATOM 118 NH2 ARG A 8 -2.707 9.593 7.582 1.00 1.99 N ATOM 0 H ARG A 8 -5.280 2.540 6.775 1.00 0.22 H new ATOM 0 HA ARG A 8 -5.055 5.278 7.889 1.00 0.25 H new ATOM 0 HB2 ARG A 8 -2.961 5.135 7.003 1.00 0.26 H new ATOM 0 HB3 ARG A 8 -3.356 3.765 5.984 1.00 0.26 H new ATOM 0 HG2 ARG A 8 -2.758 5.747 4.644 1.00 0.27 H new ATOM 0 HG3 ARG A 8 -4.403 5.234 4.323 1.00 0.27 H new ATOM 0 HD2 ARG A 8 -4.295 7.668 4.519 1.00 0.31 H new ATOM 0 HD3 ARG A 8 -5.275 6.995 5.807 1.00 0.31 H new ATOM 0 HE ARG A 8 -2.775 7.178 6.968 1.00 1.12 H new ATOM 0 HH11 ARG A 8 -4.823 9.411 5.154 1.00 0.64 H new ATOM 0 HH12 ARG A 8 -4.280 10.831 6.053 1.00 0.64 H new ATOM 0 HH21 ARG A 8 -2.098 9.002 8.148 1.00 1.99 H new ATOM 0 HH22 ARG A 8 -2.738 10.599 7.747 1.00 1.99 H new ATOM 132 N ARG A 9 -7.050 5.764 6.439 1.00 0.19 N ATOM 133 CA ARG A 9 -8.130 6.096 5.543 1.00 0.18 C ATOM 134 C ARG A 9 -7.608 7.046 4.493 1.00 0.20 C ATOM 135 O ARG A 9 -7.439 8.230 4.776 1.00 0.22 O ATOM 136 CB ARG A 9 -9.282 6.722 6.302 1.00 0.19 C ATOM 137 CG ARG A 9 -10.609 6.610 5.591 1.00 0.28 C ATOM 138 CD ARG A 9 -11.700 6.320 6.599 1.00 0.62 C ATOM 139 NE ARG A 9 -11.752 7.364 7.625 1.00 1.45 N ATOM 140 CZ ARG A 9 -12.210 7.192 8.864 1.00 1.80 C ATOM 141 NH1 ARG A 9 -12.762 6.045 9.233 1.00 1.59 N ATOM 142 NH2 ARG A 9 -12.133 8.192 9.731 1.00 2.80 N ATOM 0 H ARG A 9 -7.013 6.313 7.298 1.00 0.19 H new ATOM 0 HA ARG A 9 -8.503 5.189 5.067 1.00 0.18 H new ATOM 0 HB2 ARG A 9 -9.362 6.247 7.280 1.00 0.19 H new ATOM 0 HB3 ARG A 9 -9.061 7.775 6.477 1.00 0.19 H new ATOM 0 HG2 ARG A 9 -10.828 7.536 5.059 1.00 0.28 H new ATOM 0 HG3 ARG A 9 -10.568 5.816 4.845 1.00 0.28 H new ATOM 0 HD2 ARG A 9 -12.662 6.255 6.091 1.00 0.62 H new ATOM 0 HD3 ARG A 9 -11.521 5.352 7.067 1.00 0.62 H new ATOM 0 HE ARG A 9 -11.412 8.292 7.372 1.00 1.45 H new ATOM 0 HH11 ARG A 9 -12.841 5.279 8.565 1.00 1.59 H new ATOM 0 HH12 ARG A 9 -13.108 5.929 10.185 1.00 1.59 H new ATOM 0 HH21 ARG A 9 -11.726 9.083 9.447 1.00 2.80 H new ATOM 0 HH22 ARG A 9 -12.481 8.070 10.682 1.00 2.80 H new ATOM 156 N ILE A 10 -7.368 6.487 3.299 1.00 0.21 N ATOM 157 CA ILE A 10 -6.798 7.191 2.130 1.00 0.24 C ATOM 158 C ILE A 10 -6.696 8.715 2.291 1.00 0.29 C ATOM 159 O ILE A 10 -5.794 9.195 2.987 1.00 0.33 O ATOM 160 CB ILE A 10 -7.574 6.840 0.827 1.00 0.22 C ATOM 161 CG1 ILE A 10 -9.051 6.486 1.115 1.00 0.21 C ATOM 162 CG2 ILE A 10 -6.879 5.694 0.119 1.00 0.21 C ATOM 163 CD1 ILE A 10 -9.752 7.461 2.028 1.00 0.22 C ATOM 0 H ILE A 10 -7.569 5.505 3.109 1.00 0.21 H new ATOM 0 HA ILE A 10 -5.773 6.827 2.057 1.00 0.24 H new ATOM 0 HB ILE A 10 -7.576 7.719 0.183 1.00 0.22 H new ATOM 0 HG12 ILE A 10 -9.592 6.436 0.170 1.00 0.21 H new ATOM 0 HG13 ILE A 10 -9.095 5.492 1.560 1.00 0.21 H new ATOM 0 HG21 ILE A 10 -7.422 5.447 -0.794 1.00 0.21 H new ATOM 0 HG22 ILE A 10 -5.860 5.987 -0.133 1.00 0.21 H new ATOM 0 HG23 ILE A 10 -6.855 4.823 0.774 1.00 0.21 H new ATOM 0 HD11 ILE A 10 -10.783 7.141 2.179 1.00 0.22 H new ATOM 0 HD12 ILE A 10 -9.238 7.494 2.988 1.00 0.22 H new ATOM 0 HD13 ILE A 10 -9.743 8.453 1.577 1.00 0.22 H new ATOM 175 N ASP A 11 -7.619 9.450 1.652 1.00 0.30 N ATOM 176 CA ASP A 11 -7.708 10.904 1.751 1.00 0.36 C ATOM 177 C ASP A 11 -8.527 11.411 0.583 1.00 0.36 C ATOM 178 O ASP A 11 -9.221 10.635 -0.060 1.00 0.36 O ATOM 179 CB ASP A 11 -6.332 11.602 1.757 1.00 0.37 C ATOM 180 CG ASP A 11 -5.655 11.667 0.396 1.00 0.34 C ATOM 181 OD1 ASP A 11 -5.211 10.626 -0.120 1.00 1.13 O ATOM 182 OD2 ASP A 11 -5.556 12.779 -0.158 1.00 1.12 O ATOM 0 H ASP A 11 -8.330 9.041 1.046 1.00 0.30 H new ATOM 0 HA ASP A 11 -8.178 11.142 2.705 1.00 0.36 H new ATOM 0 HB2 ASP A 11 -6.454 12.616 2.137 1.00 0.37 H new ATOM 0 HB3 ASP A 11 -5.675 11.078 2.451 1.00 0.37 H new ATOM 187 N ASP A 12 -8.423 12.698 0.303 1.00 0.41 N ATOM 188 CA ASP A 12 -9.191 13.318 -0.772 1.00 0.43 C ATOM 189 C ASP A 12 -8.669 12.873 -2.139 1.00 0.37 C ATOM 190 O ASP A 12 -9.396 12.889 -3.136 1.00 0.50 O ATOM 191 CB ASP A 12 -9.115 14.841 -0.650 1.00 0.54 C ATOM 192 CG ASP A 12 -9.997 15.557 -1.652 1.00 1.38 C ATOM 193 OD1 ASP A 12 -11.219 15.646 -1.414 1.00 1.98 O ATOM 194 OD2 ASP A 12 -9.465 16.057 -2.668 1.00 2.26 O ATOM 0 H ASP A 12 -7.811 13.341 0.806 1.00 0.41 H new ATOM 0 HA ASP A 12 -10.230 13.001 -0.684 1.00 0.43 H new ATOM 0 HB2 ASP A 12 -9.407 15.135 0.358 1.00 0.54 H new ATOM 0 HB3 ASP A 12 -8.082 15.161 -0.789 1.00 0.54 H new ATOM 199 N LEU A 13 -7.405 12.477 -2.180 1.00 0.32 N ATOM 200 CA LEU A 13 -6.792 12.000 -3.407 1.00 0.29 C ATOM 201 C LEU A 13 -6.864 10.475 -3.475 1.00 0.24 C ATOM 202 O LEU A 13 -7.450 9.919 -4.406 1.00 0.26 O ATOM 203 CB LEU A 13 -5.340 12.490 -3.496 1.00 0.32 C ATOM 204 CG LEU A 13 -4.643 12.302 -4.850 1.00 0.40 C ATOM 205 CD1 LEU A 13 -4.159 10.872 -5.032 1.00 0.36 C ATOM 206 CD2 LEU A 13 -5.575 12.690 -5.986 1.00 0.53 C ATOM 0 H LEU A 13 -6.783 12.478 -1.372 1.00 0.32 H new ATOM 0 HA LEU A 13 -7.339 12.402 -4.260 1.00 0.29 H new ATOM 0 HB2 LEU A 13 -5.320 13.551 -3.245 1.00 0.32 H new ATOM 0 HB3 LEU A 13 -4.756 11.972 -2.735 1.00 0.32 H new ATOM 0 HG LEU A 13 -3.771 12.956 -4.868 1.00 0.40 H new ATOM 0 HD11 LEU A 13 -3.670 10.774 -6.001 1.00 0.36 H new ATOM 0 HD12 LEU A 13 -3.450 10.624 -4.242 1.00 0.36 H new ATOM 0 HD13 LEU A 13 -5.009 10.191 -4.984 1.00 0.36 H new ATOM 0 HD21 LEU A 13 -5.065 12.551 -6.939 1.00 0.53 H new ATOM 0 HD22 LEU A 13 -6.466 12.063 -5.956 1.00 0.53 H new ATOM 0 HD23 LEU A 13 -5.864 13.736 -5.879 1.00 0.53 H new ATOM 218 N GLY A 14 -6.279 9.806 -2.486 1.00 0.21 N ATOM 219 CA GLY A 14 -6.258 8.359 -2.487 1.00 0.19 C ATOM 220 C GLY A 14 -4.904 7.788 -2.115 1.00 0.19 C ATOM 221 O GLY A 14 -4.630 6.620 -2.371 1.00 0.22 O ATOM 0 H GLY A 14 -5.820 10.242 -1.686 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -7.007 7.989 -1.787 1.00 0.19 H new ATOM 0 HA3 GLY A 14 -6.540 7.997 -3.476 1.00 0.19 H new ATOM 225 N ARG A 15 -4.049 8.595 -1.503 1.00 0.19 N ATOM 226 CA ARG A 15 -2.739 8.110 -1.104 1.00 0.20 C ATOM 227 C ARG A 15 -2.864 7.223 0.108 1.00 0.17 C ATOM 228 O ARG A 15 -3.776 7.375 0.920 1.00 0.17 O ATOM 229 CB ARG A 15 -1.779 9.232 -0.736 1.00 0.25 C ATOM 230 CG ARG A 15 -1.642 10.322 -1.766 1.00 0.25 C ATOM 231 CD ARG A 15 -2.317 11.578 -1.269 1.00 0.29 C ATOM 232 NE ARG A 15 -1.847 12.772 -1.967 1.00 0.40 N ATOM 233 CZ ARG A 15 -2.386 13.984 -1.833 1.00 0.54 C ATOM 234 NH1 ARG A 15 -3.473 14.167 -1.093 1.00 0.67 N ATOM 235 NH2 ARG A 15 -1.848 15.010 -2.470 1.00 0.69 N ATOM 0 H ARG A 15 -4.235 9.572 -1.276 1.00 0.19 H new ATOM 0 HA ARG A 15 -2.344 7.571 -1.965 1.00 0.20 H new ATOM 0 HB2 ARG A 15 -2.110 9.679 0.201 1.00 0.25 H new ATOM 0 HB3 ARG A 15 -0.795 8.801 -0.553 1.00 0.25 H new ATOM 0 HG2 ARG A 15 -0.588 10.518 -1.965 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.090 10.005 -2.708 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -3.395 11.484 -1.399 1.00 0.29 H new ATOM 0 HD3 ARG A 15 -2.133 11.688 -0.200 1.00 0.29 H new ATOM 0 HE ARG A 15 -1.053 12.672 -2.599 1.00 0.40 H new ATOM 0 HH11 ARG A 15 -3.906 13.375 -0.618 1.00 0.67 H new ATOM 0 HH12 ARG A 15 -3.875 15.100 -0.999 1.00 0.67 H new ATOM 0 HH21 ARG A 15 -1.027 14.871 -3.059 1.00 0.69 H new ATOM 0 HH22 ARG A 15 -2.254 15.941 -2.373 1.00 0.69 H new ATOM 249 N VAL A 16 -1.930 6.318 0.244 1.00 0.18 N ATOM 250 CA VAL A 16 -1.804 5.570 1.460 1.00 0.20 C ATOM 251 C VAL A 16 -0.566 6.054 2.168 1.00 0.19 C ATOM 252 O VAL A 16 0.546 5.655 1.843 1.00 0.21 O ATOM 253 CB VAL A 16 -1.746 4.056 1.217 1.00 0.29 C ATOM 254 CG1 VAL A 16 -1.506 3.320 2.520 1.00 1.11 C ATOM 255 CG2 VAL A 16 -3.035 3.582 0.572 1.00 1.24 C ATOM 0 H VAL A 16 -1.246 6.083 -0.476 1.00 0.18 H new ATOM 0 HA VAL A 16 -2.689 5.734 2.075 1.00 0.20 H new ATOM 0 HB VAL A 16 -0.917 3.841 0.543 1.00 0.29 H new ATOM 0 HG11 VAL A 16 -1.468 2.247 2.330 1.00 1.11 H new ATOM 0 HG12 VAL A 16 -0.560 3.646 2.953 1.00 1.11 H new ATOM 0 HG13 VAL A 16 -2.317 3.537 3.215 1.00 1.11 H new ATOM 0 HG21 VAL A 16 -2.984 2.506 0.404 1.00 1.24 H new ATOM 0 HG22 VAL A 16 -3.875 3.807 1.229 1.00 1.24 H new ATOM 0 HG23 VAL A 16 -3.174 4.092 -0.381 1.00 1.24 H new ATOM 265 N VAL A 17 -0.772 6.971 3.092 1.00 0.20 N ATOM 266 CA VAL A 17 0.328 7.620 3.766 1.00 0.21 C ATOM 267 C VAL A 17 1.108 6.607 4.586 1.00 0.21 C ATOM 268 O VAL A 17 0.690 6.222 5.677 1.00 0.26 O ATOM 269 CB VAL A 17 -0.160 8.767 4.671 1.00 0.25 C ATOM 270 CG1 VAL A 17 1.011 9.416 5.393 1.00 0.28 C ATOM 271 CG2 VAL A 17 -0.935 9.798 3.858 1.00 0.27 C ATOM 0 H VAL A 17 -1.696 7.283 3.392 1.00 0.20 H new ATOM 0 HA VAL A 17 0.979 8.049 3.004 1.00 0.21 H new ATOM 0 HB VAL A 17 -0.832 8.351 5.422 1.00 0.25 H new ATOM 0 HG11 VAL A 17 0.645 10.224 6.027 1.00 0.28 H new ATOM 0 HG12 VAL A 17 1.516 8.672 6.009 1.00 0.28 H new ATOM 0 HG13 VAL A 17 1.712 9.818 4.661 1.00 0.28 H new ATOM 0 HG21 VAL A 17 -1.272 10.601 4.514 1.00 0.27 H new ATOM 0 HG22 VAL A 17 -0.289 10.210 3.083 1.00 0.27 H new ATOM 0 HG23 VAL A 17 -1.799 9.321 3.395 1.00 0.27 H new ATOM 281 N ILE A 18 2.216 6.152 4.026 1.00 0.20 N ATOM 282 CA ILE A 18 3.061 5.176 4.677 1.00 0.22 C ATOM 283 C ILE A 18 4.064 5.878 5.571 1.00 0.20 C ATOM 284 O ILE A 18 4.929 6.608 5.093 1.00 0.21 O ATOM 285 CB ILE A 18 3.812 4.298 3.646 1.00 0.26 C ATOM 286 CG1 ILE A 18 2.821 3.451 2.846 1.00 0.42 C ATOM 287 CG2 ILE A 18 4.845 3.411 4.334 1.00 0.25 C ATOM 288 CD1 ILE A 18 2.016 2.494 3.693 1.00 0.77 C ATOM 0 H ILE A 18 2.551 6.450 3.110 1.00 0.20 H new ATOM 0 HA ILE A 18 2.422 4.527 5.275 1.00 0.22 H new ATOM 0 HB ILE A 18 4.341 4.957 2.957 1.00 0.26 H new ATOM 0 HG12 ILE A 18 2.138 4.113 2.313 1.00 0.42 H new ATOM 0 HG13 ILE A 18 3.367 2.884 2.093 1.00 0.42 H new ATOM 0 HG21 ILE A 18 5.358 2.804 3.588 1.00 0.25 H new ATOM 0 HG22 ILE A 18 5.570 4.035 4.856 1.00 0.25 H new ATOM 0 HG23 ILE A 18 4.345 2.759 5.050 1.00 0.25 H new ATOM 0 HD11 ILE A 18 1.336 1.928 3.056 1.00 0.77 H new ATOM 0 HD12 ILE A 18 2.689 1.807 4.205 1.00 0.77 H new ATOM 0 HD13 ILE A 18 1.441 3.055 4.430 1.00 0.77 H new ATOM 300 N PRO A 19 3.928 5.711 6.888 1.00 0.23 N ATOM 301 CA PRO A 19 4.902 6.217 7.838 1.00 0.26 C ATOM 302 C PRO A 19 6.312 5.800 7.472 1.00 0.24 C ATOM 303 O PRO A 19 6.554 4.668 7.037 1.00 0.23 O ATOM 304 CB PRO A 19 4.473 5.578 9.146 1.00 0.29 C ATOM 305 CG PRO A 19 3.005 5.449 9.000 1.00 0.32 C ATOM 306 CD PRO A 19 2.800 5.050 7.566 1.00 0.29 C ATOM 0 HA PRO A 19 4.926 7.306 7.874 1.00 0.26 H new ATOM 0 HB2 PRO A 19 4.949 4.609 9.295 1.00 0.29 H new ATOM 0 HB3 PRO A 19 4.739 6.198 10.002 1.00 0.29 H new ATOM 0 HG2 PRO A 19 2.603 4.699 9.681 1.00 0.32 H new ATOM 0 HG3 PRO A 19 2.500 6.388 9.226 1.00 0.32 H new ATOM 0 HD2 PRO A 19 2.827 3.968 7.438 1.00 0.29 H new ATOM 0 HD3 PRO A 19 1.839 5.392 7.183 1.00 0.29 H new ATOM 314 N LYS A 20 7.242 6.711 7.658 1.00 0.27 N ATOM 315 CA LYS A 20 8.626 6.467 7.312 1.00 0.28 C ATOM 316 C LYS A 20 9.199 5.305 8.101 1.00 0.25 C ATOM 317 O LYS A 20 10.239 4.792 7.748 1.00 0.26 O ATOM 318 CB LYS A 20 9.498 7.710 7.509 1.00 0.35 C ATOM 319 CG LYS A 20 9.349 8.378 8.871 1.00 0.40 C ATOM 320 CD LYS A 20 8.073 9.197 8.954 1.00 0.55 C ATOM 321 CE LYS A 20 8.097 10.385 7.999 1.00 0.77 C ATOM 322 NZ LYS A 20 9.248 11.296 8.251 1.00 1.57 N ATOM 0 H LYS A 20 7.063 7.635 8.050 1.00 0.27 H new ATOM 0 HA LYS A 20 8.637 6.211 6.253 1.00 0.28 H new ATOM 0 HB2 LYS A 20 10.542 7.432 7.367 1.00 0.35 H new ATOM 0 HB3 LYS A 20 9.254 8.436 6.734 1.00 0.35 H new ATOM 0 HG2 LYS A 20 9.346 7.617 9.652 1.00 0.40 H new ATOM 0 HG3 LYS A 20 10.208 9.022 9.057 1.00 0.40 H new ATOM 0 HD2 LYS A 20 7.218 8.562 8.722 1.00 0.55 H new ATOM 0 HD3 LYS A 20 7.937 9.554 9.975 1.00 0.55 H new ATOM 0 HE2 LYS A 20 8.144 10.021 6.973 1.00 0.77 H new ATOM 0 HE3 LYS A 20 7.167 10.945 8.097 1.00 0.77 H new ATOM 0 HZ1 LYS A 20 9.096 12.195 7.750 1.00 1.57 H new ATOM 0 HZ2 LYS A 20 9.330 11.478 9.272 1.00 1.57 H new ATOM 0 HZ3 LYS A 20 10.124 10.852 7.907 1.00 1.57 H new ATOM 336 N GLU A 21 8.515 4.893 9.164 1.00 0.24 N ATOM 337 CA GLU A 21 8.991 3.802 10.009 1.00 0.24 C ATOM 338 C GLU A 21 8.990 2.457 9.273 1.00 0.22 C ATOM 339 O GLU A 21 9.750 1.545 9.622 1.00 0.23 O ATOM 340 CB GLU A 21 8.158 3.725 11.284 1.00 0.27 C ATOM 341 CG GLU A 21 6.692 3.424 11.055 1.00 0.35 C ATOM 342 CD GLU A 21 5.878 3.642 12.308 1.00 0.73 C ATOM 343 OE1 GLU A 21 5.457 4.792 12.548 1.00 1.32 O ATOM 344 OE2 GLU A 21 5.682 2.674 13.073 1.00 1.30 O ATOM 0 H GLU A 21 7.628 5.299 9.461 1.00 0.24 H new ATOM 0 HA GLU A 21 10.027 4.016 10.273 1.00 0.24 H new ATOM 0 HB2 GLU A 21 8.578 2.955 11.932 1.00 0.27 H new ATOM 0 HB3 GLU A 21 8.243 4.672 11.817 1.00 0.27 H new ATOM 0 HG2 GLU A 21 6.310 4.060 10.257 1.00 0.35 H new ATOM 0 HG3 GLU A 21 6.579 2.392 10.722 1.00 0.35 H new ATOM 351 N ILE A 22 8.200 2.341 8.211 1.00 0.23 N ATOM 352 CA ILE A 22 8.150 1.092 7.474 1.00 0.25 C ATOM 353 C ILE A 22 9.243 1.125 6.420 1.00 0.24 C ATOM 354 O ILE A 22 10.013 0.182 6.281 1.00 0.25 O ATOM 355 CB ILE A 22 6.774 0.828 6.819 1.00 0.29 C ATOM 356 CG1 ILE A 22 5.674 0.835 7.881 1.00 0.27 C ATOM 357 CG2 ILE A 22 6.775 -0.504 6.078 1.00 0.35 C ATOM 358 CD1 ILE A 22 5.016 2.178 8.076 1.00 0.25 C ATOM 0 H ILE A 22 7.599 3.082 7.850 1.00 0.23 H new ATOM 0 HA ILE A 22 8.306 0.273 8.176 1.00 0.25 H new ATOM 0 HB ILE A 22 6.579 1.623 6.100 1.00 0.29 H new ATOM 0 HG12 ILE A 22 4.912 0.106 7.605 1.00 0.27 H new ATOM 0 HG13 ILE A 22 6.098 0.509 8.831 1.00 0.27 H new ATOM 0 HG21 ILE A 22 5.797 -0.669 5.625 1.00 0.35 H new ATOM 0 HG22 ILE A 22 7.537 -0.487 5.299 1.00 0.35 H new ATOM 0 HG23 ILE A 22 6.991 -1.310 6.779 1.00 0.35 H new ATOM 0 HD11 ILE A 22 4.248 2.099 8.845 1.00 0.25 H new ATOM 0 HD12 ILE A 22 5.764 2.908 8.384 1.00 0.25 H new ATOM 0 HD13 ILE A 22 4.560 2.499 7.140 1.00 0.25 H new ATOM 370 N ARG A 23 9.334 2.261 5.730 1.00 0.23 N ATOM 371 CA ARG A 23 10.423 2.534 4.791 1.00 0.22 C ATOM 372 C ARG A 23 11.751 2.499 5.540 1.00 0.23 C ATOM 373 O ARG A 23 12.802 2.177 4.986 1.00 0.24 O ATOM 374 CB ARG A 23 10.160 3.891 4.101 1.00 0.24 C ATOM 375 CG ARG A 23 11.374 4.786 3.879 1.00 0.48 C ATOM 376 CD ARG A 23 11.741 5.551 5.137 1.00 0.39 C ATOM 377 NE ARG A 23 12.362 6.844 4.858 1.00 0.82 N ATOM 378 CZ ARG A 23 13.468 7.284 5.456 1.00 0.96 C ATOM 379 NH1 ARG A 23 14.126 6.509 6.306 1.00 1.34 N ATOM 380 NH2 ARG A 23 13.915 8.502 5.190 1.00 1.50 N ATOM 0 H ARG A 23 8.655 3.019 5.806 1.00 0.23 H new ATOM 0 HA ARG A 23 10.472 1.774 4.011 1.00 0.22 H new ATOM 0 HB2 ARG A 23 9.697 3.698 3.133 1.00 0.24 H new ATOM 0 HB3 ARG A 23 9.434 4.443 4.698 1.00 0.24 H new ATOM 0 HG2 ARG A 23 12.222 4.179 3.562 1.00 0.48 H new ATOM 0 HG3 ARG A 23 11.166 5.489 3.072 1.00 0.48 H new ATOM 0 HD2 ARG A 23 10.844 5.707 5.736 1.00 0.39 H new ATOM 0 HD3 ARG A 23 12.423 4.948 5.736 1.00 0.39 H new ATOM 0 HE ARG A 23 11.922 7.447 4.163 1.00 0.82 H new ATOM 0 HH11 ARG A 23 13.786 5.568 6.506 1.00 1.34 H new ATOM 0 HH12 ARG A 23 14.972 6.853 6.760 1.00 1.34 H new ATOM 0 HH21 ARG A 23 13.413 9.097 4.531 1.00 1.50 H new ATOM 0 HH22 ARG A 23 14.761 8.845 5.644 1.00 1.50 H new ATOM 394 N ARG A 24 11.670 2.848 6.810 1.00 0.24 N ATOM 395 CA ARG A 24 12.782 2.761 7.735 1.00 0.27 C ATOM 396 C ARG A 24 13.262 1.324 7.856 1.00 0.29 C ATOM 397 O ARG A 24 14.447 1.046 7.674 1.00 0.32 O ATOM 398 CB ARG A 24 12.333 3.291 9.091 1.00 0.31 C ATOM 399 CG ARG A 24 13.349 3.189 10.206 1.00 0.39 C ATOM 400 CD ARG A 24 12.706 3.582 11.527 1.00 0.45 C ATOM 401 NE ARG A 24 13.675 3.754 12.606 1.00 1.39 N ATOM 402 CZ ARG A 24 13.354 3.725 13.900 1.00 1.90 C ATOM 403 NH1 ARG A 24 12.131 3.379 14.280 1.00 1.52 N ATOM 404 NH2 ARG A 24 14.268 4.005 14.818 1.00 2.96 N ATOM 0 H ARG A 24 10.814 3.206 7.234 1.00 0.24 H new ATOM 0 HA ARG A 24 13.614 3.360 7.366 1.00 0.27 H new ATOM 0 HB2 ARG A 24 12.052 4.338 8.976 1.00 0.31 H new ATOM 0 HB3 ARG A 24 11.435 2.751 9.392 1.00 0.31 H new ATOM 0 HG2 ARG A 24 13.734 2.171 10.267 1.00 0.39 H new ATOM 0 HG3 ARG A 24 14.198 3.839 9.997 1.00 0.39 H new ATOM 0 HD2 ARG A 24 12.152 4.511 11.393 1.00 0.45 H new ATOM 0 HD3 ARG A 24 11.983 2.818 11.814 1.00 0.45 H new ATOM 0 HE ARG A 24 14.652 3.905 12.356 1.00 1.39 H new ATOM 0 HH11 ARG A 24 11.430 3.133 13.581 1.00 1.52 H new ATOM 0 HH12 ARG A 24 11.892 3.359 15.271 1.00 1.52 H new ATOM 0 HH21 ARG A 24 15.219 4.243 14.535 1.00 2.96 H new ATOM 0 HH22 ARG A 24 14.021 3.982 15.807 1.00 2.96 H new ATOM 418 N THR A 25 12.343 0.402 8.146 1.00 0.29 N ATOM 419 CA THR A 25 12.676 -1.015 8.181 1.00 0.31 C ATOM 420 C THR A 25 12.976 -1.540 6.776 1.00 0.30 C ATOM 421 O THR A 25 13.639 -2.559 6.604 1.00 0.33 O ATOM 422 CB THR A 25 11.504 -1.811 8.792 1.00 0.34 C ATOM 423 OG1 THR A 25 11.099 -1.188 10.022 1.00 0.36 O ATOM 424 CG2 THR A 25 11.894 -3.258 9.062 1.00 0.40 C ATOM 0 H THR A 25 11.368 0.614 8.358 1.00 0.29 H new ATOM 0 HA THR A 25 13.567 -1.143 8.796 1.00 0.31 H new ATOM 0 HB THR A 25 10.681 -1.810 8.077 1.00 0.34 H new ATOM 0 HG1 THR A 25 10.555 -0.397 9.824 1.00 0.36 H new ATOM 0 HG21 THR A 25 11.045 -3.789 9.492 1.00 0.40 H new ATOM 0 HG22 THR A 25 12.186 -3.737 8.127 1.00 0.40 H new ATOM 0 HG23 THR A 25 12.731 -3.285 9.760 1.00 0.40 H new ATOM 432 N LEU A 26 12.485 -0.827 5.773 1.00 0.27 N ATOM 433 CA LEU A 26 12.752 -1.159 4.380 1.00 0.28 C ATOM 434 C LEU A 26 14.222 -0.942 4.033 1.00 0.31 C ATOM 435 O LEU A 26 14.707 -1.485 3.041 1.00 0.36 O ATOM 436 CB LEU A 26 11.877 -0.305 3.453 1.00 0.25 C ATOM 437 CG LEU A 26 10.732 -1.042 2.758 1.00 0.26 C ATOM 438 CD1 LEU A 26 11.254 -2.260 2.028 1.00 0.32 C ATOM 439 CD2 LEU A 26 9.655 -1.441 3.755 1.00 0.26 C ATOM 0 H LEU A 26 11.893 -0.006 5.900 1.00 0.27 H new ATOM 0 HA LEU A 26 12.513 -2.213 4.238 1.00 0.28 H new ATOM 0 HB2 LEU A 26 11.457 0.515 4.035 1.00 0.25 H new ATOM 0 HB3 LEU A 26 12.515 0.140 2.689 1.00 0.25 H new ATOM 0 HG LEU A 26 10.285 -0.364 2.031 1.00 0.26 H new ATOM 0 HD11 LEU A 26 10.426 -2.773 1.539 1.00 0.32 H new ATOM 0 HD12 LEU A 26 11.983 -1.951 1.279 1.00 0.32 H new ATOM 0 HD13 LEU A 26 11.729 -2.935 2.740 1.00 0.32 H new ATOM 0 HD21 LEU A 26 8.853 -1.963 3.234 1.00 0.26 H new ATOM 0 HD22 LEU A 26 10.085 -2.098 4.511 1.00 0.26 H new ATOM 0 HD23 LEU A 26 9.255 -0.548 4.235 1.00 0.26 H new ATOM 451 N ARG A 27 14.923 -0.157 4.868 1.00 0.32 N ATOM 452 CA ARG A 27 16.294 0.279 4.589 1.00 0.40 C ATOM 453 C ARG A 27 16.298 1.288 3.448 1.00 0.39 C ATOM 454 O ARG A 27 17.323 1.521 2.802 1.00 0.46 O ATOM 455 CB ARG A 27 17.202 -0.904 4.240 1.00 0.51 C ATOM 456 CG ARG A 27 18.122 -1.351 5.366 1.00 0.78 C ATOM 457 CD ARG A 27 17.354 -1.801 6.597 1.00 0.90 C ATOM 458 NE ARG A 27 16.340 -2.806 6.281 1.00 1.76 N ATOM 459 CZ ARG A 27 16.385 -4.079 6.681 1.00 2.28 C ATOM 460 NH1 ARG A 27 17.460 -4.556 7.298 1.00 2.36 N ATOM 461 NH2 ARG A 27 15.358 -4.879 6.431 1.00 3.20 N ATOM 0 H ARG A 27 14.553 0.190 5.753 1.00 0.32 H new ATOM 0 HA ARG A 27 16.685 0.747 5.493 1.00 0.40 H new ATOM 0 HB2 ARG A 27 16.579 -1.747 3.941 1.00 0.51 H new ATOM 0 HB3 ARG A 27 17.811 -0.635 3.376 1.00 0.51 H new ATOM 0 HG2 ARG A 27 18.751 -2.169 5.015 1.00 0.78 H new ATOM 0 HG3 ARG A 27 18.787 -0.530 5.636 1.00 0.78 H new ATOM 0 HD2 ARG A 27 18.051 -2.209 7.329 1.00 0.90 H new ATOM 0 HD3 ARG A 27 16.875 -0.938 7.060 1.00 0.90 H new ATOM 0 HE ARG A 27 15.543 -2.514 5.716 1.00 1.76 H new ATOM 0 HH11 ARG A 27 18.261 -3.948 7.470 1.00 2.36 H new ATOM 0 HH12 ARG A 27 17.485 -5.530 7.600 1.00 2.36 H new ATOM 0 HH21 ARG A 27 14.541 -4.521 5.936 1.00 3.20 H new ATOM 0 HH22 ARG A 27 15.385 -5.853 6.733 1.00 3.20 H new ATOM 475 N ILE A 28 15.143 1.893 3.217 1.00 0.33 N ATOM 476 CA ILE A 28 14.968 2.817 2.111 1.00 0.33 C ATOM 477 C ILE A 28 14.587 4.199 2.644 1.00 0.31 C ATOM 478 O ILE A 28 14.738 4.470 3.837 1.00 0.34 O ATOM 479 CB ILE A 28 13.926 2.275 1.106 1.00 0.36 C ATOM 480 CG1 ILE A 28 14.044 0.750 1.029 1.00 0.44 C ATOM 481 CG2 ILE A 28 14.171 2.857 -0.287 1.00 0.38 C ATOM 482 CD1 ILE A 28 13.095 0.100 0.052 1.00 0.48 C ATOM 0 H ILE A 28 14.308 1.758 3.787 1.00 0.33 H new ATOM 0 HA ILE A 28 15.910 2.915 1.571 1.00 0.33 H new ATOM 0 HB ILE A 28 12.931 2.564 1.445 1.00 0.36 H new ATOM 0 HG12 ILE A 28 15.066 0.490 0.752 1.00 0.44 H new ATOM 0 HG13 ILE A 28 13.867 0.333 2.021 1.00 0.44 H new ATOM 0 HG21 ILE A 28 13.428 2.464 -0.981 1.00 0.38 H new ATOM 0 HG22 ILE A 28 14.091 3.943 -0.247 1.00 0.38 H new ATOM 0 HG23 ILE A 28 15.168 2.579 -0.627 1.00 0.38 H new ATOM 0 HD11 ILE A 28 13.246 -0.979 0.061 1.00 0.48 H new ATOM 0 HD12 ILE A 28 12.068 0.325 0.338 1.00 0.48 H new ATOM 0 HD13 ILE A 28 13.285 0.484 -0.950 1.00 0.48 H new ATOM 494 N ARG A 29 14.097 5.064 1.775 1.00 0.32 N ATOM 495 CA ARG A 29 13.940 6.475 2.098 1.00 0.32 C ATOM 496 C ARG A 29 12.909 7.114 1.187 1.00 0.30 C ATOM 497 O ARG A 29 12.063 6.421 0.625 1.00 0.28 O ATOM 498 CB ARG A 29 15.299 7.200 1.981 1.00 0.40 C ATOM 499 CG ARG A 29 15.804 7.432 0.552 1.00 0.58 C ATOM 500 CD ARG A 29 15.753 6.173 -0.300 1.00 0.64 C ATOM 501 NE ARG A 29 16.475 6.326 -1.564 1.00 0.92 N ATOM 502 CZ ARG A 29 17.204 5.360 -2.132 1.00 1.58 C ATOM 503 NH1 ARG A 29 17.296 4.167 -1.555 1.00 2.40 N ATOM 504 NH2 ARG A 29 17.846 5.588 -3.273 1.00 1.98 N ATOM 0 H ARG A 29 13.798 4.814 0.832 1.00 0.32 H new ATOM 0 HA ARG A 29 13.588 6.565 3.126 1.00 0.32 H new ATOM 0 HB2 ARG A 29 15.220 8.165 2.481 1.00 0.40 H new ATOM 0 HB3 ARG A 29 16.047 6.621 2.522 1.00 0.40 H new ATOM 0 HG2 ARG A 29 15.203 8.210 0.080 1.00 0.58 H new ATOM 0 HG3 ARG A 29 16.829 7.800 0.589 1.00 0.58 H new ATOM 0 HD2 ARG A 29 16.179 5.341 0.260 1.00 0.64 H new ATOM 0 HD3 ARG A 29 14.713 5.919 -0.507 1.00 0.64 H new ATOM 0 HE ARG A 29 16.418 7.226 -2.041 1.00 0.92 H new ATOM 0 HH11 ARG A 29 16.810 3.986 -0.677 1.00 2.40 H new ATOM 0 HH12 ARG A 29 17.853 3.432 -1.990 1.00 2.40 H new ATOM 0 HH21 ARG A 29 17.784 6.503 -3.719 1.00 1.98 H new ATOM 0 HH22 ARG A 29 18.401 4.848 -3.703 1.00 1.98 H new ATOM 518 N GLU A 30 12.993 8.430 1.031 1.00 0.34 N ATOM 519 CA GLU A 30 12.124 9.177 0.128 1.00 0.36 C ATOM 520 C GLU A 30 12.501 8.927 -1.323 1.00 0.35 C ATOM 521 O GLU A 30 12.468 9.816 -2.171 1.00 0.44 O ATOM 522 CB GLU A 30 12.200 10.658 0.452 1.00 0.45 C ATOM 523 CG GLU A 30 11.491 10.993 1.740 1.00 0.50 C ATOM 524 CD GLU A 30 12.283 10.628 2.980 1.00 0.62 C ATOM 525 OE1 GLU A 30 13.066 11.474 3.460 1.00 1.23 O ATOM 526 OE2 GLU A 30 12.118 9.499 3.487 1.00 1.08 O ATOM 0 H GLU A 30 13.668 9.011 1.528 1.00 0.34 H new ATOM 0 HA GLU A 30 11.099 8.834 0.268 1.00 0.36 H new ATOM 0 HB2 GLU A 30 13.245 10.960 0.525 1.00 0.45 H new ATOM 0 HB3 GLU A 30 11.759 11.230 -0.364 1.00 0.45 H new ATOM 0 HG2 GLU A 30 11.274 12.061 1.759 1.00 0.50 H new ATOM 0 HG3 GLU A 30 10.533 10.473 1.764 1.00 0.50 H new ATOM 533 N GLY A 31 12.851 7.681 -1.576 1.00 0.30 N ATOM 534 CA GLY A 31 13.163 7.213 -2.896 1.00 0.30 C ATOM 535 C GLY A 31 12.870 5.729 -3.014 1.00 0.30 C ATOM 536 O GLY A 31 13.485 5.025 -3.811 1.00 0.36 O ATOM 0 H GLY A 31 12.925 6.963 -0.856 1.00 0.30 H new ATOM 0 HA2 GLY A 31 12.579 7.765 -3.632 1.00 0.30 H new ATOM 0 HA3 GLY A 31 14.214 7.401 -3.117 1.00 0.30 H new ATOM 540 N ASP A 32 11.937 5.264 -2.186 1.00 0.28 N ATOM 541 CA ASP A 32 11.466 3.883 -2.229 1.00 0.31 C ATOM 542 C ASP A 32 10.377 3.742 -3.288 1.00 0.28 C ATOM 543 O ASP A 32 9.303 4.334 -3.183 1.00 0.31 O ATOM 544 CB ASP A 32 10.931 3.466 -0.858 1.00 0.38 C ATOM 545 CG ASP A 32 10.514 2.004 -0.774 1.00 0.43 C ATOM 546 OD1 ASP A 32 10.684 1.267 -1.767 1.00 1.26 O ATOM 547 OD2 ASP A 32 10.041 1.591 0.305 1.00 1.07 O ATOM 0 H ASP A 32 11.488 5.833 -1.468 1.00 0.28 H new ATOM 0 HA ASP A 32 12.299 3.230 -2.489 1.00 0.31 H new ATOM 0 HB2 ASP A 32 11.697 3.658 -0.107 1.00 0.38 H new ATOM 0 HB3 ASP A 32 10.075 4.092 -0.608 1.00 0.38 H new ATOM 552 N PRO A 33 10.672 2.979 -4.332 1.00 0.23 N ATOM 553 CA PRO A 33 9.805 2.805 -5.488 1.00 0.26 C ATOM 554 C PRO A 33 8.819 1.674 -5.353 1.00 0.47 C ATOM 555 O PRO A 33 8.744 0.831 -6.222 1.00 1.30 O ATOM 556 CB PRO A 33 10.775 2.430 -6.607 1.00 0.22 C ATOM 557 CG PRO A 33 12.131 2.316 -5.970 1.00 0.14 C ATOM 558 CD PRO A 33 11.899 2.224 -4.488 1.00 0.23 C ATOM 0 HA PRO A 33 9.212 3.707 -5.644 1.00 0.26 H new ATOM 0 HB2 PRO A 33 10.485 1.489 -7.074 1.00 0.22 H new ATOM 0 HB3 PRO A 33 10.776 3.188 -7.391 1.00 0.22 H new ATOM 0 HG2 PRO A 33 12.659 1.435 -6.336 1.00 0.14 H new ATOM 0 HG3 PRO A 33 12.748 3.181 -6.213 1.00 0.14 H new ATOM 0 HD2 PRO A 33 11.789 1.192 -4.155 1.00 0.23 H new ATOM 0 HD3 PRO A 33 12.721 2.657 -3.918 1.00 0.23 H new ATOM 566 N LEU A 34 8.034 1.665 -4.320 1.00 0.29 N ATOM 567 CA LEU A 34 7.170 0.534 -4.081 1.00 0.21 C ATOM 568 C LEU A 34 6.233 0.257 -5.261 1.00 0.22 C ATOM 569 O LEU A 34 5.839 1.142 -6.002 1.00 0.27 O ATOM 570 CB LEU A 34 6.350 0.709 -2.797 1.00 0.23 C ATOM 571 CG LEU A 34 7.089 1.323 -1.607 1.00 0.31 C ATOM 572 CD1 LEU A 34 6.905 2.833 -1.583 1.00 0.38 C ATOM 573 CD2 LEU A 34 6.608 0.704 -0.304 1.00 0.38 C ATOM 0 H LEU A 34 7.968 2.415 -3.632 1.00 0.29 H new ATOM 0 HA LEU A 34 7.828 -0.327 -3.963 1.00 0.21 H new ATOM 0 HB2 LEU A 34 5.486 1.333 -3.024 1.00 0.23 H new ATOM 0 HB3 LEU A 34 5.968 -0.267 -2.498 1.00 0.23 H new ATOM 0 HG LEU A 34 8.152 1.110 -1.716 1.00 0.31 H new ATOM 0 HD11 LEU A 34 7.438 3.251 -0.729 1.00 0.38 H new ATOM 0 HD12 LEU A 34 7.301 3.262 -2.503 1.00 0.38 H new ATOM 0 HD13 LEU A 34 5.844 3.069 -1.499 1.00 0.38 H new ATOM 0 HD21 LEU A 34 7.145 1.153 0.532 1.00 0.38 H new ATOM 0 HD22 LEU A 34 5.539 0.885 -0.188 1.00 0.38 H new ATOM 0 HD23 LEU A 34 6.795 -0.370 -0.321 1.00 0.38 H new ATOM 585 N GLU A 35 5.854 -0.993 -5.344 1.00 0.20 N ATOM 586 CA GLU A 35 5.045 -1.509 -6.427 1.00 0.20 C ATOM 587 C GLU A 35 3.663 -1.707 -5.900 1.00 0.16 C ATOM 588 O GLU A 35 3.488 -2.458 -4.966 1.00 0.16 O ATOM 589 CB GLU A 35 5.575 -2.839 -6.971 1.00 0.22 C ATOM 590 CG GLU A 35 4.695 -3.424 -8.075 1.00 0.23 C ATOM 591 CD GLU A 35 5.194 -4.752 -8.608 1.00 0.34 C ATOM 592 OE1 GLU A 35 6.192 -4.761 -9.349 1.00 1.12 O ATOM 593 OE2 GLU A 35 4.576 -5.793 -8.296 1.00 0.95 O ATOM 0 H GLU A 35 6.102 -1.697 -4.649 1.00 0.20 H new ATOM 0 HA GLU A 35 5.068 -0.797 -7.252 1.00 0.20 H new ATOM 0 HB2 GLU A 35 6.584 -2.691 -7.357 1.00 0.22 H new ATOM 0 HB3 GLU A 35 5.649 -3.556 -6.154 1.00 0.22 H new ATOM 0 HG2 GLU A 35 3.683 -3.553 -7.691 1.00 0.23 H new ATOM 0 HG3 GLU A 35 4.636 -2.711 -8.897 1.00 0.23 H new ATOM 600 N ILE A 36 2.706 -1.010 -6.467 1.00 0.14 N ATOM 601 CA ILE A 36 1.329 -1.126 -6.050 1.00 0.11 C ATOM 602 C ILE A 36 0.664 -2.243 -6.827 1.00 0.10 C ATOM 603 O ILE A 36 0.484 -2.144 -8.042 1.00 0.14 O ATOM 604 CB ILE A 36 0.553 0.200 -6.285 1.00 0.12 C ATOM 605 CG1 ILE A 36 1.011 1.296 -5.314 1.00 0.15 C ATOM 606 CG2 ILE A 36 -0.950 -0.012 -6.169 1.00 0.14 C ATOM 607 CD1 ILE A 36 2.394 1.841 -5.592 1.00 0.39 C ATOM 0 H ILE A 36 2.860 -0.349 -7.228 1.00 0.14 H new ATOM 0 HA ILE A 36 1.312 -1.345 -4.982 1.00 0.11 H new ATOM 0 HB ILE A 36 0.777 0.528 -7.300 1.00 0.12 H new ATOM 0 HG12 ILE A 36 0.296 2.118 -5.350 1.00 0.15 H new ATOM 0 HG13 ILE A 36 0.988 0.898 -4.300 1.00 0.15 H new ATOM 0 HG21 ILE A 36 -1.465 0.934 -6.338 1.00 0.14 H new ATOM 0 HG22 ILE A 36 -1.273 -0.740 -6.913 1.00 0.14 H new ATOM 0 HG23 ILE A 36 -1.189 -0.382 -5.172 1.00 0.14 H new ATOM 0 HD11 ILE A 36 2.636 2.610 -4.859 1.00 0.39 H new ATOM 0 HD12 ILE A 36 3.123 1.034 -5.526 1.00 0.39 H new ATOM 0 HD13 ILE A 36 2.421 2.273 -6.593 1.00 0.39 H new ATOM 619 N PHE A 37 0.358 -3.326 -6.144 1.00 0.09 N ATOM 620 CA PHE A 37 -0.383 -4.409 -6.751 1.00 0.10 C ATOM 621 C PHE A 37 -1.209 -5.123 -5.694 1.00 0.09 C ATOM 622 O PHE A 37 -0.691 -5.548 -4.673 1.00 0.09 O ATOM 623 CB PHE A 37 0.566 -5.362 -7.506 1.00 0.12 C ATOM 624 CG PHE A 37 0.996 -6.590 -6.744 1.00 0.16 C ATOM 625 CD1 PHE A 37 0.248 -7.756 -6.800 1.00 1.10 C ATOM 626 CD2 PHE A 37 2.151 -6.579 -5.983 1.00 1.12 C ATOM 627 CE1 PHE A 37 0.641 -8.884 -6.106 1.00 1.15 C ATOM 628 CE2 PHE A 37 2.549 -7.705 -5.289 1.00 1.12 C ATOM 629 CZ PHE A 37 1.794 -8.859 -5.350 1.00 0.35 C ATOM 0 H PHE A 37 0.611 -3.479 -5.168 1.00 0.09 H new ATOM 0 HA PHE A 37 -1.075 -4.008 -7.492 1.00 0.10 H new ATOM 0 HB2 PHE A 37 0.076 -5.680 -8.426 1.00 0.12 H new ATOM 0 HB3 PHE A 37 1.457 -4.805 -7.795 1.00 0.12 H new ATOM 0 HD1 PHE A 37 -0.654 -7.783 -7.394 1.00 1.10 H new ATOM 0 HD2 PHE A 37 2.748 -5.680 -5.931 1.00 1.12 H new ATOM 0 HE1 PHE A 37 0.046 -9.784 -6.155 1.00 1.15 H new ATOM 0 HE2 PHE A 37 3.452 -7.682 -4.698 1.00 1.12 H new ATOM 0 HZ PHE A 37 2.105 -9.739 -4.807 1.00 0.35 H new ATOM 639 N VAL A 38 -2.498 -5.218 -5.928 1.00 0.09 N ATOM 640 CA VAL A 38 -3.395 -5.865 -4.982 1.00 0.09 C ATOM 641 C VAL A 38 -3.345 -7.378 -5.141 1.00 0.11 C ATOM 642 O VAL A 38 -3.309 -7.898 -6.255 1.00 0.17 O ATOM 643 CB VAL A 38 -4.848 -5.336 -5.133 1.00 0.11 C ATOM 644 CG1 VAL A 38 -5.229 -5.196 -6.603 1.00 0.16 C ATOM 645 CG2 VAL A 38 -5.846 -6.236 -4.411 1.00 0.11 C ATOM 0 H VAL A 38 -2.955 -4.857 -6.765 1.00 0.09 H new ATOM 0 HA VAL A 38 -3.057 -5.618 -3.976 1.00 0.09 H new ATOM 0 HB VAL A 38 -4.885 -4.350 -4.670 1.00 0.11 H new ATOM 0 HG11 VAL A 38 -6.251 -4.824 -6.680 1.00 0.16 H new ATOM 0 HG12 VAL A 38 -4.550 -4.496 -7.090 1.00 0.16 H new ATOM 0 HG13 VAL A 38 -5.159 -6.168 -7.091 1.00 0.16 H new ATOM 0 HG21 VAL A 38 -6.853 -5.837 -4.537 1.00 0.11 H new ATOM 0 HG22 VAL A 38 -5.799 -7.241 -4.830 1.00 0.11 H new ATOM 0 HG23 VAL A 38 -5.601 -6.274 -3.350 1.00 0.11 H new ATOM 655 N ASP A 39 -3.327 -8.068 -4.012 1.00 0.09 N ATOM 656 CA ASP A 39 -3.143 -9.512 -3.993 1.00 0.12 C ATOM 657 C ASP A 39 -4.460 -10.244 -4.186 1.00 0.16 C ATOM 658 O ASP A 39 -4.609 -11.059 -5.096 1.00 0.18 O ATOM 659 CB ASP A 39 -2.531 -9.949 -2.662 1.00 0.19 C ATOM 660 CG ASP A 39 -1.772 -11.263 -2.784 1.00 0.23 C ATOM 661 OD1 ASP A 39 -0.628 -11.247 -3.279 1.00 1.11 O ATOM 662 OD2 ASP A 39 -2.310 -12.315 -2.386 1.00 1.04 O ATOM 0 H ASP A 39 -3.438 -7.648 -3.089 1.00 0.09 H new ATOM 0 HA ASP A 39 -2.475 -9.765 -4.816 1.00 0.12 H new ATOM 0 HB2 ASP A 39 -1.856 -9.173 -2.302 1.00 0.19 H new ATOM 0 HB3 ASP A 39 -3.320 -10.055 -1.918 1.00 0.19 H new ATOM 667 N ARG A 40 -5.417 -9.931 -3.328 1.00 0.32 N ATOM 668 CA ARG A 40 -6.649 -10.703 -3.245 1.00 0.43 C ATOM 669 C ARG A 40 -7.878 -9.850 -3.540 1.00 0.43 C ATOM 670 O ARG A 40 -8.278 -9.696 -4.693 1.00 0.49 O ATOM 671 CB ARG A 40 -6.772 -11.339 -1.855 1.00 0.53 C ATOM 672 CG ARG A 40 -5.714 -10.859 -0.877 1.00 0.53 C ATOM 673 CD ARG A 40 -4.605 -11.882 -0.701 1.00 0.72 C ATOM 674 NE ARG A 40 -5.096 -13.161 -0.190 1.00 1.09 N ATOM 675 CZ ARG A 40 -4.401 -14.295 -0.233 1.00 1.66 C ATOM 676 NH1 ARG A 40 -3.209 -14.327 -0.818 1.00 2.22 N ATOM 677 NH2 ARG A 40 -4.914 -15.402 0.289 1.00 2.29 N ATOM 0 H ARG A 40 -5.366 -9.147 -2.678 1.00 0.32 H new ATOM 0 HA ARG A 40 -6.602 -11.484 -4.004 1.00 0.43 H new ATOM 0 HB2 ARG A 40 -7.759 -11.118 -1.449 1.00 0.53 H new ATOM 0 HB3 ARG A 40 -6.702 -12.422 -1.952 1.00 0.53 H new ATOM 0 HG2 ARG A 40 -5.290 -9.920 -1.232 1.00 0.53 H new ATOM 0 HG3 ARG A 40 -6.177 -10.655 0.088 1.00 0.53 H new ATOM 0 HD2 ARG A 40 -4.109 -12.044 -1.658 1.00 0.72 H new ATOM 0 HD3 ARG A 40 -3.855 -11.485 -0.017 1.00 0.72 H new ATOM 0 HE ARG A 40 -6.028 -13.185 0.225 1.00 1.09 H new ATOM 0 HH11 ARG A 40 -2.823 -13.480 -1.236 1.00 2.22 H new ATOM 0 HH12 ARG A 40 -2.679 -15.198 -0.849 1.00 2.22 H new ATOM 0 HH21 ARG A 40 -5.838 -15.382 0.721 1.00 2.29 H new ATOM 0 HH22 ARG A 40 -4.385 -16.273 0.258 1.00 2.29 H new ATOM 691 N ASP A 41 -8.459 -9.281 -2.493 1.00 0.47 N ATOM 692 CA ASP A 41 -9.690 -8.507 -2.630 1.00 0.52 C ATOM 693 C ASP A 41 -9.385 -7.028 -2.674 1.00 0.43 C ATOM 694 O ASP A 41 -9.518 -6.377 -3.711 1.00 0.50 O ATOM 695 CB ASP A 41 -10.649 -8.782 -1.465 1.00 0.57 C ATOM 696 CG ASP A 41 -11.866 -7.866 -1.491 1.00 0.96 C ATOM 697 OD1 ASP A 41 -12.774 -8.103 -2.314 1.00 1.53 O ATOM 698 OD2 ASP A 41 -11.919 -6.905 -0.690 1.00 1.34 O ATOM 0 H ASP A 41 -8.100 -9.339 -1.540 1.00 0.47 H new ATOM 0 HA ASP A 41 -10.165 -8.812 -3.563 1.00 0.52 H new ATOM 0 HB2 ASP A 41 -10.978 -9.821 -1.505 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -10.119 -8.651 -0.522 1.00 0.57 H new ATOM 703 N GLY A 42 -8.957 -6.514 -1.538 1.00 0.32 N ATOM 704 CA GLY A 42 -8.693 -5.107 -1.412 1.00 0.26 C ATOM 705 C GLY A 42 -7.400 -4.847 -0.695 1.00 0.18 C ATOM 706 O GLY A 42 -7.202 -3.779 -0.129 1.00 0.18 O ATOM 0 H GLY A 42 -8.786 -7.056 -0.691 1.00 0.32 H new ATOM 0 HA2 GLY A 42 -8.658 -4.653 -2.402 1.00 0.26 H new ATOM 0 HA3 GLY A 42 -9.511 -4.630 -0.872 1.00 0.26 H new ATOM 710 N GLU A 43 -6.527 -5.841 -0.698 1.00 0.15 N ATOM 711 CA GLU A 43 -5.222 -5.696 -0.090 1.00 0.12 C ATOM 712 C GLU A 43 -4.222 -5.308 -1.153 1.00 0.08 C ATOM 713 O GLU A 43 -3.901 -6.110 -2.027 1.00 0.09 O ATOM 714 CB GLU A 43 -4.772 -6.991 0.585 1.00 0.14 C ATOM 715 CG GLU A 43 -5.912 -7.826 1.132 1.00 0.53 C ATOM 716 CD GLU A 43 -5.480 -8.736 2.261 1.00 1.00 C ATOM 717 OE1 GLU A 43 -5.492 -8.288 3.424 1.00 1.30 O ATOM 718 OE2 GLU A 43 -5.138 -9.900 1.988 1.00 1.97 O ATOM 0 H GLU A 43 -6.702 -6.755 -1.115 1.00 0.15 H new ATOM 0 HA GLU A 43 -5.283 -4.922 0.675 1.00 0.12 H new ATOM 0 HB2 GLU A 43 -4.210 -7.587 -0.134 1.00 0.14 H new ATOM 0 HB3 GLU A 43 -4.090 -6.747 1.399 1.00 0.14 H new ATOM 0 HG2 GLU A 43 -6.704 -7.165 1.486 1.00 0.53 H new ATOM 0 HG3 GLU A 43 -6.335 -8.428 0.327 1.00 0.53 H new ATOM 725 N VAL A 44 -3.767 -4.076 -1.101 1.00 0.07 N ATOM 726 CA VAL A 44 -2.781 -3.594 -2.043 1.00 0.07 C ATOM 727 C VAL A 44 -1.402 -3.848 -1.491 1.00 0.07 C ATOM 728 O VAL A 44 -1.120 -3.532 -0.347 1.00 0.08 O ATOM 729 CB VAL A 44 -2.910 -2.092 -2.320 1.00 0.09 C ATOM 730 CG1 VAL A 44 -2.357 -1.772 -3.696 1.00 0.14 C ATOM 731 CG2 VAL A 44 -4.355 -1.630 -2.184 1.00 0.12 C ATOM 0 H VAL A 44 -4.066 -3.386 -0.412 1.00 0.07 H new ATOM 0 HA VAL A 44 -2.948 -4.128 -2.978 1.00 0.07 H new ATOM 0 HB VAL A 44 -2.327 -1.549 -1.577 1.00 0.09 H new ATOM 0 HG11 VAL A 44 -2.452 -0.703 -3.887 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -1.306 -2.057 -3.741 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -2.916 -2.326 -4.450 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.416 -0.561 -2.386 1.00 0.12 H new ATOM 0 HG22 VAL A 44 -4.978 -2.170 -2.897 1.00 0.12 H new ATOM 0 HG23 VAL A 44 -4.707 -1.828 -1.172 1.00 0.12 H new ATOM 741 N ILE A 45 -0.551 -4.398 -2.306 1.00 0.08 N ATOM 742 CA ILE A 45 0.775 -4.771 -1.884 1.00 0.08 C ATOM 743 C ILE A 45 1.759 -3.811 -2.511 1.00 0.11 C ATOM 744 O ILE A 45 1.787 -3.684 -3.726 1.00 0.14 O ATOM 745 CB ILE A 45 1.114 -6.216 -2.301 1.00 0.09 C ATOM 746 CG1 ILE A 45 0.330 -7.235 -1.456 1.00 0.09 C ATOM 747 CG2 ILE A 45 2.612 -6.472 -2.180 1.00 0.11 C ATOM 748 CD1 ILE A 45 -1.169 -7.126 -1.539 1.00 0.08 C ATOM 0 H ILE A 45 -0.753 -4.603 -3.285 1.00 0.08 H new ATOM 0 HA ILE A 45 0.830 -4.723 -0.796 1.00 0.08 H new ATOM 0 HB ILE A 45 0.821 -6.340 -3.343 1.00 0.09 H new ATOM 0 HG12 ILE A 45 0.622 -8.239 -1.765 1.00 0.09 H new ATOM 0 HG13 ILE A 45 0.628 -7.123 -0.414 1.00 0.09 H new ATOM 0 HG21 ILE A 45 2.831 -7.497 -2.479 1.00 0.11 H new ATOM 0 HG22 ILE A 45 3.153 -5.782 -2.828 1.00 0.11 H new ATOM 0 HG23 ILE A 45 2.925 -6.320 -1.147 1.00 0.11 H new ATOM 0 HD11 ILE A 45 -1.625 -7.888 -0.907 1.00 0.08 H new ATOM 0 HD12 ILE A 45 -1.481 -6.139 -1.199 1.00 0.08 H new ATOM 0 HD13 ILE A 45 -1.488 -7.272 -2.571 1.00 0.08 H new ATOM 760 N LEU A 46 2.494 -3.101 -1.672 1.00 0.11 N ATOM 761 CA LEU A 46 3.498 -2.134 -2.107 1.00 0.13 C ATOM 762 C LEU A 46 4.887 -2.717 -1.940 1.00 0.11 C ATOM 763 O LEU A 46 5.285 -3.084 -0.845 1.00 0.17 O ATOM 764 CB LEU A 46 3.370 -0.863 -1.281 1.00 0.20 C ATOM 765 CG LEU A 46 1.938 -0.490 -0.944 1.00 0.14 C ATOM 766 CD1 LEU A 46 1.923 0.621 0.090 1.00 0.19 C ATOM 767 CD2 LEU A 46 1.187 -0.081 -2.201 1.00 0.23 C ATOM 0 H LEU A 46 2.413 -3.178 -0.658 1.00 0.11 H new ATOM 0 HA LEU A 46 3.338 -1.900 -3.159 1.00 0.13 H new ATOM 0 HB2 LEU A 46 3.931 -0.986 -0.354 1.00 0.20 H new ATOM 0 HB3 LEU A 46 3.831 -0.039 -1.826 1.00 0.20 H new ATOM 0 HG LEU A 46 1.432 -1.358 -0.521 1.00 0.14 H new ATOM 0 HD11 LEU A 46 0.892 0.884 0.327 1.00 0.19 H new ATOM 0 HD12 LEU A 46 2.429 0.283 0.995 1.00 0.19 H new ATOM 0 HD13 LEU A 46 2.438 1.495 -0.308 1.00 0.19 H new ATOM 0 HD21 LEU A 46 0.162 0.183 -1.942 1.00 0.23 H new ATOM 0 HD22 LEU A 46 1.680 0.778 -2.656 1.00 0.23 H new ATOM 0 HD23 LEU A 46 1.180 -0.911 -2.907 1.00 0.23 H new ATOM 779 N LYS A 47 5.606 -2.778 -3.031 1.00 0.15 N ATOM 780 CA LYS A 47 6.852 -3.530 -3.108 1.00 0.27 C ATOM 781 C LYS A 47 8.022 -2.681 -3.627 1.00 0.16 C ATOM 782 O LYS A 47 7.959 -2.175 -4.726 1.00 0.15 O ATOM 783 CB LYS A 47 6.541 -4.667 -4.055 1.00 0.63 C ATOM 784 CG LYS A 47 7.714 -5.393 -4.657 1.00 0.29 C ATOM 785 CD LYS A 47 7.236 -6.132 -5.893 1.00 0.55 C ATOM 786 CE LYS A 47 5.981 -6.938 -5.589 1.00 0.69 C ATOM 787 NZ LYS A 47 5.494 -7.695 -6.771 1.00 0.76 N ATOM 0 H LYS A 47 5.351 -2.309 -3.900 1.00 0.15 H new ATOM 0 HA LYS A 47 7.175 -3.872 -2.125 1.00 0.27 H new ATOM 0 HB2 LYS A 47 5.929 -5.395 -3.522 1.00 0.63 H new ATOM 0 HB3 LYS A 47 5.932 -4.274 -4.869 1.00 0.63 H new ATOM 0 HG2 LYS A 47 8.503 -4.688 -4.918 1.00 0.29 H new ATOM 0 HG3 LYS A 47 8.137 -6.093 -3.937 1.00 0.29 H new ATOM 0 HD2 LYS A 47 7.031 -5.419 -6.692 1.00 0.55 H new ATOM 0 HD3 LYS A 47 8.022 -6.796 -6.252 1.00 0.55 H new ATOM 0 HE2 LYS A 47 6.187 -7.633 -4.775 1.00 0.69 H new ATOM 0 HE3 LYS A 47 5.196 -6.266 -5.243 1.00 0.69 H new ATOM 0 HZ1 LYS A 47 4.546 -8.075 -6.574 1.00 0.76 H new ATOM 0 HZ2 LYS A 47 5.448 -7.061 -7.594 1.00 0.76 H new ATOM 0 HZ3 LYS A 47 6.146 -8.479 -6.974 1.00 0.76 H new ATOM 801 N LYS A 48 9.096 -2.599 -2.839 1.00 0.19 N ATOM 802 CA LYS A 48 10.271 -1.712 -3.081 1.00 0.15 C ATOM 803 C LYS A 48 10.744 -1.560 -4.544 1.00 0.14 C ATOM 804 O LYS A 48 11.502 -0.645 -4.845 1.00 0.17 O ATOM 805 CB LYS A 48 11.435 -2.219 -2.251 1.00 0.17 C ATOM 806 CG LYS A 48 11.467 -3.729 -2.144 1.00 0.19 C ATOM 807 CD LYS A 48 11.883 -4.170 -0.753 1.00 0.20 C ATOM 808 CE LYS A 48 13.320 -3.790 -0.442 1.00 0.21 C ATOM 809 NZ LYS A 48 13.743 -4.291 0.893 1.00 0.32 N ATOM 0 H LYS A 48 9.190 -3.156 -1.989 1.00 0.19 H new ATOM 0 HA LYS A 48 9.928 -0.717 -2.796 1.00 0.15 H new ATOM 0 HB2 LYS A 48 12.369 -1.871 -2.693 1.00 0.17 H new ATOM 0 HB3 LYS A 48 11.376 -1.790 -1.251 1.00 0.17 H new ATOM 0 HG2 LYS A 48 10.482 -4.134 -2.378 1.00 0.19 H new ATOM 0 HG3 LYS A 48 12.161 -4.134 -2.880 1.00 0.19 H new ATOM 0 HD2 LYS A 48 11.220 -3.717 -0.016 1.00 0.20 H new ATOM 0 HD3 LYS A 48 11.766 -5.250 -0.665 1.00 0.20 H new ATOM 0 HE2 LYS A 48 13.979 -4.197 -1.209 1.00 0.21 H new ATOM 0 HE3 LYS A 48 13.425 -2.706 -0.474 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 14.658 -4.779 0.807 1.00 0.32 H new ATOM 0 HZ2 LYS A 48 13.838 -3.491 1.550 1.00 0.32 H new ATOM 0 HZ3 LYS A 48 13.030 -4.955 1.257 1.00 0.32 H new ATOM 823 N TYR A 49 10.364 -2.484 -5.414 1.00 0.14 N ATOM 824 CA TYR A 49 10.618 -2.400 -6.865 1.00 0.16 C ATOM 825 C TYR A 49 12.073 -2.686 -7.234 1.00 0.17 C ATOM 826 O TYR A 49 12.348 -3.542 -8.071 1.00 0.24 O ATOM 827 CB TYR A 49 10.262 -1.037 -7.430 1.00 0.19 C ATOM 828 CG TYR A 49 10.623 -0.854 -8.892 1.00 0.24 C ATOM 829 CD1 TYR A 49 10.202 -1.764 -9.857 1.00 1.22 C ATOM 830 CD2 TYR A 49 11.378 0.235 -9.309 1.00 1.03 C ATOM 831 CE1 TYR A 49 10.521 -1.590 -11.191 1.00 1.28 C ATOM 832 CE2 TYR A 49 11.703 0.413 -10.639 1.00 1.01 C ATOM 833 CZ TYR A 49 11.273 -0.500 -11.577 1.00 0.40 C ATOM 834 OH TYR A 49 11.585 -0.315 -12.907 1.00 0.49 O ATOM 0 H TYR A 49 9.863 -3.329 -5.139 1.00 0.14 H new ATOM 0 HA TYR A 49 9.978 -3.168 -7.299 1.00 0.16 H new ATOM 0 HB2 TYR A 49 9.191 -0.875 -7.309 1.00 0.19 H new ATOM 0 HB3 TYR A 49 10.768 -0.270 -6.844 1.00 0.19 H new ATOM 0 HD1 TYR A 49 9.616 -2.621 -9.559 1.00 1.22 H new ATOM 0 HD2 TYR A 49 11.717 0.956 -8.579 1.00 1.03 H new ATOM 0 HE1 TYR A 49 10.183 -2.304 -11.927 1.00 1.28 H new ATOM 0 HE2 TYR A 49 12.292 1.265 -10.943 1.00 1.01 H new ATOM 0 HH TYR A 49 12.119 0.501 -13.007 1.00 0.49 H new ATOM 844 N SER A 50 12.985 -1.922 -6.633 1.00 0.19 N ATOM 845 CA SER A 50 14.410 -1.989 -6.947 1.00 0.25 C ATOM 846 C SER A 50 14.921 -3.436 -6.928 1.00 0.28 C ATOM 847 O SER A 50 15.519 -3.891 -7.904 1.00 0.34 O ATOM 848 CB SER A 50 15.207 -1.095 -5.982 1.00 0.37 C ATOM 849 OG SER A 50 16.599 -1.142 -6.245 1.00 1.36 O ATOM 0 H SER A 50 12.754 -1.238 -5.913 1.00 0.19 H new ATOM 0 HA SER A 50 14.557 -1.615 -7.960 1.00 0.25 H new ATOM 0 HB2 SER A 50 14.856 -0.066 -6.067 1.00 0.37 H new ATOM 0 HB3 SER A 50 15.021 -1.412 -4.956 1.00 0.37 H new ATOM 0 HG SER A 50 17.071 -0.561 -5.613 1.00 1.36 H new ATOM 855 N PRO A 51 14.703 -4.189 -5.832 1.00 0.32 N ATOM 856 CA PRO A 51 14.974 -5.619 -5.805 1.00 0.42 C ATOM 857 C PRO A 51 13.726 -6.426 -6.109 1.00 0.45 C ATOM 858 O PRO A 51 13.677 -7.633 -5.876 1.00 0.58 O ATOM 859 CB PRO A 51 15.359 -5.845 -4.364 1.00 0.52 C ATOM 860 CG PRO A 51 14.486 -4.898 -3.603 1.00 0.46 C ATOM 861 CD PRO A 51 14.221 -3.723 -4.515 1.00 0.36 C ATOM 0 HA PRO A 51 15.724 -5.918 -6.537 1.00 0.42 H new ATOM 0 HB2 PRO A 51 15.186 -6.878 -4.062 1.00 0.52 H new ATOM 0 HB3 PRO A 51 16.416 -5.637 -4.196 1.00 0.52 H new ATOM 0 HG2 PRO A 51 13.553 -5.381 -3.313 1.00 0.46 H new ATOM 0 HG3 PRO A 51 14.976 -4.573 -2.685 1.00 0.46 H new ATOM 0 HD2 PRO A 51 13.162 -3.468 -4.543 1.00 0.36 H new ATOM 0 HD3 PRO A 51 14.754 -2.831 -4.185 1.00 0.36 H new ATOM 869 N ILE A 52 12.717 -5.740 -6.626 1.00 0.37 N ATOM 870 CA ILE A 52 11.404 -6.324 -6.824 1.00 0.46 C ATOM 871 C ILE A 52 10.929 -6.912 -5.500 1.00 0.61 C ATOM 872 O ILE A 52 10.983 -6.234 -4.470 1.00 0.61 O ATOM 873 CB ILE A 52 11.435 -7.380 -7.953 1.00 0.62 C ATOM 874 CG1 ILE A 52 12.433 -6.940 -9.024 1.00 0.51 C ATOM 875 CG2 ILE A 52 10.044 -7.541 -8.566 1.00 0.78 C ATOM 876 CD1 ILE A 52 12.510 -7.875 -10.211 1.00 0.69 C ATOM 0 H ILE A 52 12.788 -4.765 -6.919 1.00 0.37 H new ATOM 0 HA ILE A 52 10.697 -5.557 -7.140 1.00 0.46 H new ATOM 0 HB ILE A 52 11.743 -8.341 -7.541 1.00 0.62 H new ATOM 0 HG12 ILE A 52 12.159 -5.945 -9.375 1.00 0.51 H new ATOM 0 HG13 ILE A 52 13.422 -6.858 -8.573 1.00 0.51 H new ATOM 0 HG21 ILE A 52 10.080 -8.287 -9.360 1.00 0.78 H new ATOM 0 HG22 ILE A 52 9.342 -7.863 -7.797 1.00 0.78 H new ATOM 0 HG23 ILE A 52 9.716 -6.587 -8.980 1.00 0.78 H new ATOM 0 HD11 ILE A 52 13.239 -7.495 -10.927 1.00 0.69 H new ATOM 0 HD12 ILE A 52 12.814 -8.866 -9.874 1.00 0.69 H new ATOM 0 HD13 ILE A 52 11.532 -7.938 -10.688 1.00 0.69 H new ATOM 976 N ALA B 3 -3.343 -7.357 -9.002 1.00 0.51 N ATOM 977 CA ALA B 3 -1.916 -7.433 -9.313 1.00 0.33 C ATOM 978 C ALA B 3 -1.564 -6.437 -10.407 1.00 0.42 C ATOM 979 O ALA B 3 -1.262 -6.806 -11.540 1.00 0.86 O ATOM 980 CB ALA B 3 -1.511 -8.846 -9.712 1.00 0.48 C ATOM 0 HA ALA B 3 -1.356 -7.175 -8.414 1.00 0.33 H new ATOM 0 HB1 ALA B 3 -0.445 -8.869 -9.937 1.00 0.48 H new ATOM 0 HB2 ALA B 3 -1.724 -9.531 -8.891 1.00 0.48 H new ATOM 0 HB3 ALA B 3 -2.074 -9.151 -10.594 1.00 0.48 H new ATOM 986 N THR B 4 -1.626 -5.170 -10.052 1.00 0.24 N ATOM 987 CA THR B 4 -1.507 -4.098 -11.012 1.00 0.26 C ATOM 988 C THR B 4 -0.053 -3.774 -11.349 1.00 0.30 C ATOM 989 O THR B 4 0.258 -3.383 -12.472 1.00 0.43 O ATOM 990 CB THR B 4 -2.244 -2.860 -10.484 1.00 0.26 C ATOM 991 OG1 THR B 4 -1.826 -2.585 -9.140 1.00 0.27 O ATOM 992 CG2 THR B 4 -3.748 -3.096 -10.491 1.00 0.26 C ATOM 0 H THR B 4 -1.760 -4.857 -9.090 1.00 0.24 H new ATOM 0 HA THR B 4 -1.967 -4.425 -11.944 1.00 0.26 H new ATOM 0 HB THR B 4 -2.007 -2.015 -11.130 1.00 0.26 H new ATOM 0 HG1 THR B 4 -0.850 -2.507 -9.111 1.00 0.27 H new ATOM 0 HG21 THR B 4 -4.257 -2.209 -10.114 1.00 0.26 H new ATOM 0 HG22 THR B 4 -4.080 -3.299 -11.509 1.00 0.26 H new ATOM 0 HG23 THR B 4 -3.985 -3.949 -9.855 1.00 0.26 H new ATOM 1000 N GLY B 5 0.830 -3.951 -10.376 1.00 0.23 N ATOM 1001 CA GLY B 5 2.245 -3.743 -10.602 1.00 0.25 C ATOM 1002 C GLY B 5 2.581 -2.320 -11.006 1.00 0.26 C ATOM 1003 O GLY B 5 3.362 -2.099 -11.931 1.00 0.33 O ATOM 0 H GLY B 5 0.588 -4.237 -9.427 1.00 0.23 H new ATOM 0 HA2 GLY B 5 2.793 -3.995 -9.694 1.00 0.25 H new ATOM 0 HA3 GLY B 5 2.587 -4.425 -11.380 1.00 0.25 H new ATOM 1007 N ILE B 6 2.004 -1.355 -10.307 1.00 0.21 N ATOM 1008 CA ILE B 6 2.286 0.043 -10.580 1.00 0.22 C ATOM 1009 C ILE B 6 3.213 0.594 -9.508 1.00 0.19 C ATOM 1010 O ILE B 6 2.813 0.833 -8.380 1.00 0.16 O ATOM 1011 CB ILE B 6 0.997 0.907 -10.701 1.00 0.23 C ATOM 1012 CG1 ILE B 6 1.309 2.407 -10.564 1.00 0.26 C ATOM 1013 CG2 ILE B 6 -0.045 0.490 -9.680 1.00 0.21 C ATOM 1014 CD1 ILE B 6 2.265 2.948 -11.607 1.00 0.30 C ATOM 0 H ILE B 6 1.340 -1.515 -9.549 1.00 0.21 H new ATOM 0 HA ILE B 6 2.778 0.097 -11.551 1.00 0.22 H new ATOM 0 HB ILE B 6 0.589 0.735 -11.697 1.00 0.23 H new ATOM 0 HG12 ILE B 6 0.375 2.966 -10.621 1.00 0.26 H new ATOM 0 HG13 ILE B 6 1.730 2.589 -9.575 1.00 0.26 H new ATOM 0 HG21 ILE B 6 -0.933 1.113 -9.791 1.00 0.21 H new ATOM 0 HG22 ILE B 6 -0.312 -0.555 -9.839 1.00 0.21 H new ATOM 0 HG23 ILE B 6 0.360 0.612 -8.676 1.00 0.21 H new ATOM 0 HD11 ILE B 6 2.428 4.012 -11.434 1.00 0.30 H new ATOM 0 HD12 ILE B 6 3.216 2.419 -11.538 1.00 0.30 H new ATOM 0 HD13 ILE B 6 1.840 2.803 -12.600 1.00 0.30 H new ATOM 1026 N VAL B 7 4.464 0.760 -9.881 1.00 0.24 N ATOM 1027 CA VAL B 7 5.480 1.261 -8.969 1.00 0.22 C ATOM 1028 C VAL B 7 5.318 2.765 -8.745 1.00 0.24 C ATOM 1029 O VAL B 7 5.180 3.539 -9.699 1.00 0.27 O ATOM 1030 CB VAL B 7 6.889 0.928 -9.499 1.00 0.23 C ATOM 1031 CG1 VAL B 7 7.937 1.855 -8.900 1.00 0.24 C ATOM 1032 CG2 VAL B 7 7.208 -0.530 -9.187 1.00 0.23 C ATOM 0 H VAL B 7 4.808 0.554 -10.819 1.00 0.24 H new ATOM 0 HA VAL B 7 5.352 0.767 -8.006 1.00 0.22 H new ATOM 0 HB VAL B 7 6.907 1.078 -10.578 1.00 0.23 H new ATOM 0 HG11 VAL B 7 8.920 1.595 -9.293 1.00 0.24 H new ATOM 0 HG12 VAL B 7 7.703 2.887 -9.162 1.00 0.24 H new ATOM 0 HG13 VAL B 7 7.940 1.748 -7.815 1.00 0.24 H new ATOM 0 HG21 VAL B 7 8.203 -0.772 -9.559 1.00 0.23 H new ATOM 0 HG22 VAL B 7 7.176 -0.687 -8.109 1.00 0.23 H new ATOM 0 HG23 VAL B 7 6.473 -1.175 -9.670 1.00 0.23 H new ATOM 1042 N ARG B 8 5.337 3.172 -7.480 1.00 0.23 N ATOM 1043 CA ARG B 8 5.245 4.562 -7.088 1.00 0.25 C ATOM 1044 C ARG B 8 6.385 4.828 -6.124 1.00 0.23 C ATOM 1045 O ARG B 8 6.469 4.204 -5.067 1.00 0.26 O ATOM 1046 CB ARG B 8 3.881 4.880 -6.419 1.00 0.29 C ATOM 1047 CG ARG B 8 3.944 5.788 -5.169 1.00 0.27 C ATOM 1048 CD ARG B 8 4.547 7.155 -5.461 1.00 0.24 C ATOM 1049 NE ARG B 8 3.776 7.932 -6.429 1.00 0.99 N ATOM 1050 CZ ARG B 8 3.632 9.256 -6.372 1.00 0.92 C ATOM 1051 NH1 ARG B 8 4.186 9.953 -5.381 1.00 0.53 N ATOM 1052 NH2 ARG B 8 2.941 9.886 -7.316 1.00 1.69 N ATOM 0 H ARG B 8 5.418 2.531 -6.691 1.00 0.23 H new ATOM 0 HA ARG B 8 5.315 5.203 -7.967 1.00 0.25 H new ATOM 0 HB2 ARG B 8 3.236 5.355 -7.158 1.00 0.29 H new ATOM 0 HB3 ARG B 8 3.406 3.940 -6.139 1.00 0.29 H new ATOM 0 HG2 ARG B 8 2.938 5.918 -4.769 1.00 0.27 H new ATOM 0 HG3 ARG B 8 4.533 5.294 -4.396 1.00 0.27 H new ATOM 0 HD2 ARG B 8 4.621 7.718 -4.531 1.00 0.24 H new ATOM 0 HD3 ARG B 8 5.562 7.024 -5.836 1.00 0.24 H new ATOM 0 HE ARG B 8 3.321 7.432 -7.193 1.00 0.99 H new ATOM 0 HH11 ARG B 8 4.725 9.474 -4.659 1.00 0.53 H new ATOM 0 HH12 ARG B 8 4.072 10.966 -5.344 1.00 0.53 H new ATOM 0 HH21 ARG B 8 2.523 9.357 -8.081 1.00 1.69 H new ATOM 0 HH22 ARG B 8 2.829 10.899 -7.276 1.00 1.69 H new ATOM 1066 N ARG B 9 7.277 5.722 -6.489 1.00 0.20 N ATOM 1067 CA ARG B 9 8.318 6.109 -5.573 1.00 0.19 C ATOM 1068 C ARG B 9 7.761 7.104 -4.590 1.00 0.20 C ATOM 1069 O ARG B 9 7.552 8.261 -4.945 1.00 0.21 O ATOM 1070 CB ARG B 9 9.510 6.705 -6.291 1.00 0.18 C ATOM 1071 CG ARG B 9 10.766 6.600 -5.471 1.00 0.24 C ATOM 1072 CD ARG B 9 11.993 6.829 -6.321 1.00 0.62 C ATOM 1073 NE ARG B 9 12.132 8.234 -6.697 1.00 1.35 N ATOM 1074 CZ ARG B 9 12.680 8.653 -7.836 1.00 1.74 C ATOM 1075 NH1 ARG B 9 13.036 7.777 -8.769 1.00 1.51 N ATOM 1076 NH2 ARG B 9 12.828 9.954 -8.059 1.00 2.71 N ATOM 0 H ARG B 9 7.301 6.186 -7.397 1.00 0.20 H new ATOM 0 HA ARG B 9 8.665 5.216 -5.053 1.00 0.19 H new ATOM 0 HB2 ARG B 9 9.654 6.194 -7.243 1.00 0.18 H new ATOM 0 HB3 ARG B 9 9.311 7.752 -6.518 1.00 0.18 H new ATOM 0 HG2 ARG B 9 10.738 7.331 -4.663 1.00 0.24 H new ATOM 0 HG3 ARG B 9 10.820 5.615 -5.008 1.00 0.24 H new ATOM 0 HD2 ARG B 9 12.880 6.509 -5.774 1.00 0.62 H new ATOM 0 HD3 ARG B 9 11.933 6.215 -7.220 1.00 0.62 H new ATOM 0 HE ARG B 9 11.787 8.939 -6.045 1.00 1.35 H new ATOM 0 HH11 ARG B 9 12.890 6.779 -8.614 1.00 1.51 H new ATOM 0 HH12 ARG B 9 13.455 8.102 -9.640 1.00 1.51 H new ATOM 0 HH21 ARG B 9 12.522 10.630 -7.359 1.00 2.71 H new ATOM 0 HH22 ARG B 9 13.247 10.278 -8.931 1.00 2.71 H new ATOM 1090 N ILE B 10 7.529 6.608 -3.370 1.00 0.22 N ATOM 1091 CA ILE B 10 6.910 7.352 -2.256 1.00 0.25 C ATOM 1092 C ILE B 10 6.789 8.867 -2.486 1.00 0.30 C ATOM 1093 O ILE B 10 5.897 9.306 -3.226 1.00 0.34 O ATOM 1094 CB ILE B 10 7.651 7.075 -0.918 1.00 0.23 C ATOM 1095 CG1 ILE B 10 9.148 6.761 -1.151 1.00 0.22 C ATOM 1096 CG2 ILE B 10 6.969 5.922 -0.207 1.00 0.21 C ATOM 1097 CD1 ILE B 10 9.842 7.732 -2.074 1.00 0.23 C ATOM 0 H ILE B 10 7.772 5.650 -3.118 1.00 0.22 H new ATOM 0 HA ILE B 10 5.889 6.973 -2.201 1.00 0.25 H new ATOM 0 HB ILE B 10 7.604 7.971 -0.299 1.00 0.23 H new ATOM 0 HG12 ILE B 10 9.662 6.759 -0.190 1.00 0.22 H new ATOM 0 HG13 ILE B 10 9.238 5.756 -1.563 1.00 0.22 H new ATOM 0 HG21 ILE B 10 7.482 5.720 0.733 1.00 0.21 H new ATOM 0 HG22 ILE B 10 5.930 6.183 -0.005 1.00 0.21 H new ATOM 0 HG23 ILE B 10 7.004 5.034 -0.838 1.00 0.21 H new ATOM 0 HD11 ILE B 10 10.887 7.444 -2.186 1.00 0.23 H new ATOM 0 HD12 ILE B 10 9.355 7.718 -3.049 1.00 0.23 H new ATOM 0 HD13 ILE B 10 9.786 8.736 -1.654 1.00 0.23 H new ATOM 1109 N ASP B 11 7.688 9.636 -1.853 1.00 0.32 N ATOM 1110 CA ASP B 11 7.758 11.089 -1.983 1.00 0.39 C ATOM 1111 C ASP B 11 8.527 11.628 -0.787 1.00 0.40 C ATOM 1112 O ASP B 11 9.162 10.849 -0.083 1.00 0.42 O ATOM 1113 CB ASP B 11 6.368 11.737 -2.063 1.00 0.43 C ATOM 1114 CG ASP B 11 5.672 11.871 -0.721 1.00 0.33 C ATOM 1115 OD1 ASP B 11 5.223 10.857 -0.155 1.00 1.18 O ATOM 1116 OD2 ASP B 11 5.558 13.011 -0.237 1.00 1.08 O ATOM 0 H ASP B 11 8.396 9.253 -1.227 1.00 0.32 H new ATOM 0 HA ASP B 11 8.265 11.336 -2.916 1.00 0.39 H new ATOM 0 HB2 ASP B 11 6.465 12.726 -2.511 1.00 0.43 H new ATOM 0 HB3 ASP B 11 5.740 11.145 -2.729 1.00 0.43 H new ATOM 1121 N ASP B 12 8.468 12.936 -0.544 1.00 0.44 N ATOM 1122 CA ASP B 12 9.193 13.533 0.573 1.00 0.47 C ATOM 1123 C ASP B 12 8.598 13.083 1.900 1.00 0.43 C ATOM 1124 O ASP B 12 9.301 12.972 2.904 1.00 0.63 O ATOM 1125 CB ASP B 12 9.171 15.060 0.498 1.00 0.58 C ATOM 1126 CG ASP B 12 9.921 15.702 1.652 1.00 1.42 C ATOM 1127 OD1 ASP B 12 11.160 15.837 1.561 1.00 1.78 O ATOM 1128 OD2 ASP B 12 9.278 16.081 2.654 1.00 2.39 O ATOM 0 H ASP B 12 7.929 13.598 -1.102 1.00 0.44 H new ATOM 0 HA ASP B 12 10.227 13.196 0.507 1.00 0.47 H new ATOM 0 HB2 ASP B 12 9.613 15.382 -0.445 1.00 0.58 H new ATOM 0 HB3 ASP B 12 8.138 15.407 0.500 1.00 0.58 H new ATOM 1133 N LEU B 13 7.302 12.827 1.898 1.00 0.34 N ATOM 1134 CA LEU B 13 6.617 12.389 3.098 1.00 0.28 C ATOM 1135 C LEU B 13 6.733 10.873 3.245 1.00 0.23 C ATOM 1136 O LEU B 13 7.272 10.379 4.238 1.00 0.25 O ATOM 1137 CB LEU B 13 5.150 12.833 3.048 1.00 0.27 C ATOM 1138 CG LEU B 13 4.368 12.718 4.362 1.00 0.29 C ATOM 1139 CD1 LEU B 13 3.937 11.284 4.617 1.00 0.32 C ATOM 1140 CD2 LEU B 13 5.205 13.235 5.520 1.00 0.40 C ATOM 0 H LEU B 13 6.703 12.915 1.077 1.00 0.34 H new ATOM 0 HA LEU B 13 7.083 12.847 3.971 1.00 0.28 H new ATOM 0 HB2 LEU B 13 5.116 13.871 2.718 1.00 0.27 H new ATOM 0 HB3 LEU B 13 4.637 12.241 2.290 1.00 0.27 H new ATOM 0 HG LEU B 13 3.470 13.329 4.278 1.00 0.29 H new ATOM 0 HD11 LEU B 13 3.385 11.231 5.555 1.00 0.32 H new ATOM 0 HD12 LEU B 13 3.299 10.945 3.801 1.00 0.32 H new ATOM 0 HD13 LEU B 13 4.818 10.645 4.678 1.00 0.32 H new ATOM 0 HD21 LEU B 13 4.638 13.147 6.447 1.00 0.40 H new ATOM 0 HD22 LEU B 13 6.120 12.648 5.598 1.00 0.40 H new ATOM 0 HD23 LEU B 13 5.458 14.281 5.347 1.00 0.40 H new ATOM 1152 N GLY B 14 6.241 10.141 2.258 1.00 0.21 N ATOM 1153 CA GLY B 14 6.272 8.698 2.334 1.00 0.18 C ATOM 1154 C GLY B 14 4.937 8.066 2.002 1.00 0.17 C ATOM 1155 O GLY B 14 4.713 6.898 2.303 1.00 0.20 O ATOM 0 H GLY B 14 5.822 10.520 1.409 1.00 0.21 H new ATOM 0 HA2 GLY B 14 7.029 8.318 1.648 1.00 0.18 H new ATOM 0 HA3 GLY B 14 6.572 8.398 3.338 1.00 0.18 H new ATOM 1159 N ARG B 15 4.038 8.819 1.381 1.00 0.18 N ATOM 1160 CA ARG B 15 2.756 8.247 1.004 1.00 0.20 C ATOM 1161 C ARG B 15 2.930 7.346 -0.192 1.00 0.18 C ATOM 1162 O ARG B 15 3.826 7.537 -1.014 1.00 0.20 O ATOM 1163 CB ARG B 15 1.705 9.286 0.625 1.00 0.29 C ATOM 1164 CG ARG B 15 1.621 10.478 1.536 1.00 0.24 C ATOM 1165 CD ARG B 15 2.311 11.651 0.884 1.00 0.42 C ATOM 1166 NE ARG B 15 1.704 12.928 1.262 1.00 0.52 N ATOM 1167 CZ ARG B 15 2.125 14.118 0.830 1.00 0.51 C ATOM 1168 NH1 ARG B 15 3.258 14.233 0.151 1.00 0.87 N ATOM 1169 NH2 ARG B 15 1.426 15.206 1.125 1.00 0.90 N ATOM 0 H ARG B 15 4.168 9.800 1.134 1.00 0.18 H new ATOM 0 HA ARG B 15 2.408 7.709 1.886 1.00 0.20 H new ATOM 0 HB2 ARG B 15 1.913 9.636 -0.386 1.00 0.29 H new ATOM 0 HB3 ARG B 15 0.730 8.800 0.600 1.00 0.29 H new ATOM 0 HG2 ARG B 15 0.578 10.722 1.740 1.00 0.24 H new ATOM 0 HG3 ARG B 15 2.089 10.252 2.494 1.00 0.24 H new ATOM 0 HD2 ARG B 15 3.364 11.654 1.165 1.00 0.42 H new ATOM 0 HD3 ARG B 15 2.271 11.538 -0.199 1.00 0.42 H new ATOM 0 HE ARG B 15 0.907 12.907 1.898 1.00 0.52 H new ATOM 0 HH11 ARG B 15 3.820 13.405 -0.047 1.00 0.87 H new ATOM 0 HH12 ARG B 15 3.568 15.149 -0.173 1.00 0.87 H new ATOM 0 HH21 ARG B 15 0.573 15.129 1.679 1.00 0.90 H new ATOM 0 HH22 ARG B 15 1.742 16.119 0.798 1.00 0.90 H new ATOM 1183 N VAL B 16 2.051 6.386 -0.303 1.00 0.18 N ATOM 1184 CA VAL B 16 1.969 5.600 -1.498 1.00 0.19 C ATOM 1185 C VAL B 16 0.707 5.988 -2.215 1.00 0.17 C ATOM 1186 O VAL B 16 -0.385 5.556 -1.858 1.00 0.20 O ATOM 1187 CB VAL B 16 2.004 4.090 -1.216 1.00 0.27 C ATOM 1188 CG1 VAL B 16 1.834 3.309 -2.503 1.00 1.15 C ATOM 1189 CG2 VAL B 16 3.313 3.716 -0.534 1.00 1.27 C ATOM 0 H VAL B 16 1.382 6.131 0.423 1.00 0.18 H new ATOM 0 HA VAL B 16 2.842 5.802 -2.119 1.00 0.19 H new ATOM 0 HB VAL B 16 1.179 3.838 -0.550 1.00 0.27 H new ATOM 0 HG11 VAL B 16 1.861 2.241 -2.287 1.00 1.15 H new ATOM 0 HG12 VAL B 16 0.877 3.563 -2.959 1.00 1.15 H new ATOM 0 HG13 VAL B 16 2.642 3.560 -3.191 1.00 1.15 H new ATOM 0 HG21 VAL B 16 3.328 2.644 -0.338 1.00 1.27 H new ATOM 0 HG22 VAL B 16 4.149 3.978 -1.182 1.00 1.27 H new ATOM 0 HG23 VAL B 16 3.400 4.258 0.408 1.00 1.27 H new ATOM 1199 N VAL B 17 0.867 6.857 -3.190 1.00 0.18 N ATOM 1200 CA VAL B 17 -0.262 7.452 -3.863 1.00 0.19 C ATOM 1201 C VAL B 17 -1.019 6.395 -4.649 1.00 0.19 C ATOM 1202 O VAL B 17 -0.602 5.995 -5.733 1.00 0.22 O ATOM 1203 CB VAL B 17 0.169 8.598 -4.794 1.00 0.23 C ATOM 1204 CG1 VAL B 17 -1.043 9.235 -5.454 1.00 0.27 C ATOM 1205 CG2 VAL B 17 0.985 9.631 -4.022 1.00 0.25 C ATOM 0 H VAL B 17 1.776 7.167 -3.534 1.00 0.18 H new ATOM 0 HA VAL B 17 -0.917 7.874 -3.101 1.00 0.19 H new ATOM 0 HB VAL B 17 0.801 8.189 -5.582 1.00 0.23 H new ATOM 0 HG11 VAL B 17 -0.718 10.044 -6.109 1.00 0.27 H new ATOM 0 HG12 VAL B 17 -1.574 8.485 -6.040 1.00 0.27 H new ATOM 0 HG13 VAL B 17 -1.707 9.634 -4.687 1.00 0.27 H new ATOM 0 HG21 VAL B 17 1.283 10.436 -4.694 1.00 0.25 H new ATOM 0 HG22 VAL B 17 0.381 10.040 -3.212 1.00 0.25 H new ATOM 0 HG23 VAL B 17 1.875 9.156 -3.608 1.00 0.25 H new ATOM 1215 N ILE B 18 -2.106 5.923 -4.061 1.00 0.19 N ATOM 1216 CA ILE B 18 -2.931 4.902 -4.672 1.00 0.20 C ATOM 1217 C ILE B 18 -3.960 5.544 -5.584 1.00 0.18 C ATOM 1218 O ILE B 18 -4.850 6.260 -5.125 1.00 0.18 O ATOM 1219 CB ILE B 18 -3.648 4.041 -3.602 1.00 0.24 C ATOM 1220 CG1 ILE B 18 -2.630 3.249 -2.781 1.00 0.39 C ATOM 1221 CG2 ILE B 18 -4.667 3.105 -4.249 1.00 0.25 C ATOM 1222 CD1 ILE B 18 -1.820 2.265 -3.590 1.00 0.82 C ATOM 0 H ILE B 18 -2.438 6.238 -3.149 1.00 0.19 H new ATOM 0 HA ILE B 18 -2.280 4.250 -5.255 1.00 0.20 H new ATOM 0 HB ILE B 18 -4.185 4.710 -2.930 1.00 0.24 H new ATOM 0 HG12 ILE B 18 -1.951 3.947 -2.292 1.00 0.39 H new ATOM 0 HG13 ILE B 18 -3.155 2.710 -1.992 1.00 0.39 H new ATOM 0 HG21 ILE B 18 -5.157 2.511 -3.477 1.00 0.25 H new ATOM 0 HG22 ILE B 18 -5.413 3.693 -4.783 1.00 0.25 H new ATOM 0 HG23 ILE B 18 -4.159 2.442 -4.949 1.00 0.25 H new ATOM 0 HD11 ILE B 18 -1.121 1.744 -2.935 1.00 0.82 H new ATOM 0 HD12 ILE B 18 -2.488 1.542 -4.058 1.00 0.82 H new ATOM 0 HD13 ILE B 18 -1.265 2.798 -4.362 1.00 0.82 H new ATOM 1234 N PRO B 19 -3.826 5.340 -6.896 1.00 0.21 N ATOM 1235 CA PRO B 19 -4.825 5.774 -7.857 1.00 0.23 C ATOM 1236 C PRO B 19 -6.213 5.315 -7.464 1.00 0.21 C ATOM 1237 O PRO B 19 -6.410 4.189 -6.997 1.00 0.21 O ATOM 1238 CB PRO B 19 -4.379 5.098 -9.142 1.00 0.28 C ATOM 1239 CG PRO B 19 -2.907 5.035 -9.002 1.00 0.30 C ATOM 1240 CD PRO B 19 -2.676 4.701 -7.558 1.00 0.27 C ATOM 0 HA PRO B 19 -4.892 6.859 -7.935 1.00 0.23 H new ATOM 0 HB2 PRO B 19 -4.816 4.105 -9.246 1.00 0.28 H new ATOM 0 HB3 PRO B 19 -4.675 5.670 -10.021 1.00 0.28 H new ATOM 0 HG2 PRO B 19 -2.479 4.276 -9.657 1.00 0.30 H new ATOM 0 HG3 PRO B 19 -2.443 5.985 -9.268 1.00 0.30 H new ATOM 0 HD2 PRO B 19 -2.657 3.624 -7.388 1.00 0.27 H new ATOM 0 HD3 PRO B 19 -1.727 5.098 -7.196 1.00 0.27 H new ATOM 1248 N LYS B 20 -7.173 6.190 -7.659 1.00 0.23 N ATOM 1249 CA LYS B 20 -8.547 5.908 -7.299 1.00 0.23 C ATOM 1250 C LYS B 20 -9.093 4.709 -8.063 1.00 0.21 C ATOM 1251 O LYS B 20 -10.138 4.196 -7.717 1.00 0.22 O ATOM 1252 CB LYS B 20 -9.456 7.129 -7.487 1.00 0.28 C ATOM 1253 CG LYS B 20 -9.331 7.819 -8.838 1.00 0.39 C ATOM 1254 CD LYS B 20 -8.041 8.618 -8.950 1.00 0.53 C ATOM 1255 CE LYS B 20 -7.974 9.757 -7.937 1.00 0.90 C ATOM 1256 NZ LYS B 20 -9.163 10.651 -8.003 1.00 1.77 N ATOM 0 H LYS B 20 -7.027 7.112 -8.069 1.00 0.23 H new ATOM 0 HA LYS B 20 -8.544 5.660 -6.237 1.00 0.23 H new ATOM 0 HB2 LYS B 20 -10.491 6.818 -7.349 1.00 0.28 H new ATOM 0 HB3 LYS B 20 -9.234 7.853 -6.703 1.00 0.28 H new ATOM 0 HG2 LYS B 20 -9.366 7.072 -9.631 1.00 0.39 H new ATOM 0 HG3 LYS B 20 -10.183 8.482 -8.987 1.00 0.39 H new ATOM 0 HD2 LYS B 20 -7.190 7.953 -8.802 1.00 0.53 H new ATOM 0 HD3 LYS B 20 -7.955 9.025 -9.957 1.00 0.53 H new ATOM 0 HE2 LYS B 20 -7.892 9.341 -6.933 1.00 0.90 H new ATOM 0 HE3 LYS B 20 -7.072 10.344 -8.114 1.00 0.90 H new ATOM 0 HZ1 LYS B 20 -8.988 11.504 -7.435 1.00 1.77 H new ATOM 0 HZ2 LYS B 20 -9.338 10.923 -8.991 1.00 1.77 H new ATOM 0 HZ3 LYS B 20 -9.995 10.151 -7.629 1.00 1.77 H new ATOM 1270 N GLU B 21 -8.389 4.276 -9.102 1.00 0.21 N ATOM 1271 CA GLU B 21 -8.819 3.132 -9.899 1.00 0.20 C ATOM 1272 C GLU B 21 -8.771 1.813 -9.113 1.00 0.20 C ATOM 1273 O GLU B 21 -9.517 0.874 -9.418 1.00 0.20 O ATOM 1274 CB GLU B 21 -7.984 3.029 -11.168 1.00 0.23 C ATOM 1275 CG GLU B 21 -6.491 2.997 -10.930 1.00 0.47 C ATOM 1276 CD GLU B 21 -5.715 3.025 -12.227 1.00 1.08 C ATOM 1277 OE1 GLU B 21 -5.621 4.111 -12.839 1.00 1.92 O ATOM 1278 OE2 GLU B 21 -5.218 1.961 -12.650 1.00 1.53 O ATOM 0 H GLU B 21 -7.515 4.701 -9.413 1.00 0.21 H new ATOM 0 HA GLU B 21 -9.862 3.302 -10.167 1.00 0.20 H new ATOM 0 HB2 GLU B 21 -8.274 2.127 -11.707 1.00 0.23 H new ATOM 0 HB3 GLU B 21 -8.219 3.875 -11.813 1.00 0.23 H new ATOM 0 HG2 GLU B 21 -6.203 3.850 -10.315 1.00 0.47 H new ATOM 0 HG3 GLU B 21 -6.231 2.098 -10.370 1.00 0.47 H new ATOM 1285 N ILE B 22 -7.959 1.746 -8.062 1.00 0.22 N ATOM 1286 CA ILE B 22 -7.879 0.510 -7.294 1.00 0.25 C ATOM 1287 C ILE B 22 -8.958 0.559 -6.222 1.00 0.24 C ATOM 1288 O ILE B 22 -9.688 -0.403 -6.016 1.00 0.24 O ATOM 1289 CB ILE B 22 -6.489 0.255 -6.648 1.00 0.32 C ATOM 1290 CG1 ILE B 22 -5.376 0.315 -7.700 1.00 0.28 C ATOM 1291 CG2 ILE B 22 -6.463 -1.110 -5.961 1.00 0.44 C ATOM 1292 CD1 ILE B 22 -4.859 1.709 -7.975 1.00 0.25 C ATOM 0 H ILE B 22 -7.365 2.506 -7.731 1.00 0.22 H new ATOM 0 HA ILE B 22 -8.031 -0.321 -7.983 1.00 0.25 H new ATOM 0 HB ILE B 22 -6.317 1.037 -5.908 1.00 0.32 H new ATOM 0 HG12 ILE B 22 -4.546 -0.310 -7.371 1.00 0.28 H new ATOM 0 HG13 ILE B 22 -5.748 -0.113 -8.631 1.00 0.28 H new ATOM 0 HG21 ILE B 22 -5.483 -1.273 -5.514 1.00 0.44 H new ATOM 0 HG22 ILE B 22 -7.226 -1.141 -5.184 1.00 0.44 H new ATOM 0 HG23 ILE B 22 -6.661 -1.891 -6.695 1.00 0.44 H new ATOM 0 HD11 ILE B 22 -4.074 1.664 -8.730 1.00 0.25 H new ATOM 0 HD12 ILE B 22 -5.675 2.335 -8.336 1.00 0.25 H new ATOM 0 HD13 ILE B 22 -4.454 2.135 -7.057 1.00 0.25 H new ATOM 1304 N ARG B 23 -9.080 1.726 -5.590 1.00 0.24 N ATOM 1305 CA ARG B 23 -10.175 2.019 -4.661 1.00 0.23 C ATOM 1306 C ARG B 23 -11.504 1.915 -5.400 1.00 0.22 C ATOM 1307 O ARG B 23 -12.540 1.581 -4.828 1.00 0.23 O ATOM 1308 CB ARG B 23 -9.945 3.417 -4.044 1.00 0.26 C ATOM 1309 CG ARG B 23 -11.184 4.279 -3.836 1.00 0.50 C ATOM 1310 CD ARG B 23 -11.601 4.985 -5.115 1.00 0.35 C ATOM 1311 NE ARG B 23 -12.217 6.290 -4.877 1.00 0.85 N ATOM 1312 CZ ARG B 23 -13.355 6.690 -5.445 1.00 0.95 C ATOM 1313 NH1 ARG B 23 -14.078 5.839 -6.164 1.00 1.36 N ATOM 1314 NH2 ARG B 23 -13.778 7.932 -5.262 1.00 1.40 N ATOM 0 H ARG B 23 -8.422 2.497 -5.707 1.00 0.24 H new ATOM 0 HA ARG B 23 -10.202 1.297 -3.845 1.00 0.23 H new ATOM 0 HB2 ARG B 23 -9.453 3.288 -3.080 1.00 0.26 H new ATOM 0 HB3 ARG B 23 -9.253 3.963 -4.685 1.00 0.26 H new ATOM 0 HG2 ARG B 23 -12.005 3.656 -3.480 1.00 0.50 H new ATOM 0 HG3 ARG B 23 -10.986 5.019 -3.060 1.00 0.50 H new ATOM 0 HD2 ARG B 23 -10.727 5.114 -5.753 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -12.303 4.353 -5.659 1.00 0.35 H new ATOM 0 HE ARG B 23 -11.748 6.932 -4.238 1.00 0.85 H new ATOM 0 HH11 ARG B 23 -13.763 4.876 -6.283 1.00 1.36 H new ATOM 0 HH12 ARG B 23 -14.948 6.148 -6.597 1.00 1.36 H new ATOM 0 HH21 ARG B 23 -13.234 8.577 -4.689 1.00 1.40 H new ATOM 0 HH22 ARG B 23 -14.648 8.243 -5.694 1.00 1.40 H new ATOM 1328 N ARG B 24 -11.443 2.212 -6.684 1.00 0.22 N ATOM 1329 CA ARG B 24 -12.570 2.052 -7.579 1.00 0.25 C ATOM 1330 C ARG B 24 -12.989 0.596 -7.646 1.00 0.26 C ATOM 1331 O ARG B 24 -14.159 0.275 -7.431 1.00 0.28 O ATOM 1332 CB ARG B 24 -12.194 2.550 -8.970 1.00 0.29 C ATOM 1333 CG ARG B 24 -13.215 2.242 -10.041 1.00 0.42 C ATOM 1334 CD ARG B 24 -12.718 2.711 -11.398 1.00 0.55 C ATOM 1335 NE ARG B 24 -13.760 2.665 -12.418 1.00 1.47 N ATOM 1336 CZ ARG B 24 -13.925 3.604 -13.350 1.00 2.06 C ATOM 1337 NH1 ARG B 24 -13.071 4.624 -13.433 1.00 1.83 N ATOM 1338 NH2 ARG B 24 -14.926 3.513 -14.210 1.00 3.19 N ATOM 0 H ARG B 24 -10.604 2.573 -7.137 1.00 0.22 H new ATOM 0 HA ARG B 24 -13.408 2.637 -7.200 1.00 0.25 H new ATOM 0 HB2 ARG B 24 -12.044 3.629 -8.928 1.00 0.29 H new ATOM 0 HB3 ARG B 24 -11.240 2.106 -9.256 1.00 0.29 H new ATOM 0 HG2 ARG B 24 -13.410 1.170 -10.069 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -14.159 2.732 -9.804 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -12.342 3.731 -11.312 1.00 0.55 H new ATOM 0 HD3 ARG B 24 -11.880 2.088 -11.710 1.00 0.55 H new ATOM 0 HE ARG B 24 -14.398 1.869 -12.418 1.00 1.47 H new ATOM 0 HH11 ARG B 24 -12.288 4.688 -12.782 1.00 1.83 H new ATOM 0 HH12 ARG B 24 -13.200 5.341 -14.147 1.00 1.83 H new ATOM 0 HH21 ARG B 24 -15.571 2.725 -14.160 1.00 3.19 H new ATOM 0 HH22 ARG B 24 -15.053 4.231 -14.923 1.00 3.19 H new ATOM 1352 N THR B 25 -12.040 -0.298 -7.933 1.00 0.26 N ATOM 1353 CA THR B 25 -12.327 -1.721 -7.941 1.00 0.29 C ATOM 1354 C THR B 25 -12.657 -2.208 -6.529 1.00 0.28 C ATOM 1355 O THR B 25 -13.349 -3.207 -6.340 1.00 0.33 O ATOM 1356 CB THR B 25 -11.112 -2.500 -8.478 1.00 0.32 C ATOM 1357 OG1 THR B 25 -10.641 -1.890 -9.691 1.00 0.35 O ATOM 1358 CG2 THR B 25 -11.464 -3.958 -8.743 1.00 0.40 C ATOM 0 H THR B 25 -11.075 -0.057 -8.160 1.00 0.26 H new ATOM 0 HA THR B 25 -13.187 -1.895 -8.588 1.00 0.29 H new ATOM 0 HB THR B 25 -10.329 -2.470 -7.721 1.00 0.32 H new ATOM 0 HG1 THR B 25 -10.155 -1.067 -9.476 1.00 0.35 H new ATOM 0 HG21 THR B 25 -10.586 -4.481 -9.121 1.00 0.40 H new ATOM 0 HG22 THR B 25 -11.795 -4.427 -7.816 1.00 0.40 H new ATOM 0 HG23 THR B 25 -12.264 -4.011 -9.482 1.00 0.40 H new ATOM 1366 N LEU B 26 -12.147 -1.482 -5.542 1.00 0.26 N ATOM 1367 CA LEU B 26 -12.437 -1.750 -4.140 1.00 0.26 C ATOM 1368 C LEU B 26 -13.914 -1.518 -3.831 1.00 0.26 C ATOM 1369 O LEU B 26 -14.422 -2.028 -2.833 1.00 0.29 O ATOM 1370 CB LEU B 26 -11.588 -0.842 -3.241 1.00 0.24 C ATOM 1371 CG LEU B 26 -10.461 -1.531 -2.471 1.00 0.27 C ATOM 1372 CD1 LEU B 26 -11.003 -2.716 -1.700 1.00 0.33 C ATOM 1373 CD2 LEU B 26 -9.342 -1.963 -3.407 1.00 0.27 C ATOM 0 H LEU B 26 -11.521 -0.691 -5.691 1.00 0.26 H new ATOM 0 HA LEU B 26 -12.195 -2.795 -3.944 1.00 0.26 H new ATOM 0 HB2 LEU B 26 -11.153 -0.056 -3.858 1.00 0.24 H new ATOM 0 HB3 LEU B 26 -12.248 -0.355 -2.523 1.00 0.24 H new ATOM 0 HG LEU B 26 -10.043 -0.815 -1.763 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -10.191 -3.198 -1.156 1.00 0.33 H new ATOM 0 HD12 LEU B 26 -11.761 -2.375 -0.994 1.00 0.33 H new ATOM 0 HD13 LEU B 26 -11.448 -3.429 -2.394 1.00 0.33 H new ATOM 0 HD21 LEU B 26 -8.554 -2.450 -2.832 1.00 0.27 H new ATOM 0 HD22 LEU B 26 -9.735 -2.660 -4.147 1.00 0.27 H new ATOM 0 HD23 LEU B 26 -8.934 -1.089 -3.914 1.00 0.27 H new ATOM 1385 N ARG B 27 -14.585 -0.753 -4.705 1.00 0.27 N ATOM 1386 CA ARG B 27 -15.965 -0.314 -4.486 1.00 0.32 C ATOM 1387 C ARG B 27 -16.013 0.729 -3.374 1.00 0.31 C ATOM 1388 O ARG B 27 -17.068 1.004 -2.797 1.00 0.34 O ATOM 1389 CB ARG B 27 -16.880 -1.496 -4.153 1.00 0.37 C ATOM 1390 CG ARG B 27 -17.643 -2.053 -5.349 1.00 0.75 C ATOM 1391 CD ARG B 27 -16.719 -2.630 -6.412 1.00 1.00 C ATOM 1392 NE ARG B 27 -15.970 -3.791 -5.934 1.00 1.79 N ATOM 1393 CZ ARG B 27 -16.411 -5.049 -6.001 1.00 2.41 C ATOM 1394 NH1 ARG B 27 -17.619 -5.308 -6.497 1.00 2.67 N ATOM 1395 NH2 ARG B 27 -15.642 -6.047 -5.579 1.00 3.28 N ATOM 0 H ARG B 27 -14.183 -0.423 -5.583 1.00 0.27 H new ATOM 0 HA ARG B 27 -16.328 0.136 -5.410 1.00 0.32 H new ATOM 0 HB2 ARG B 27 -16.279 -2.294 -3.716 1.00 0.37 H new ATOM 0 HB3 ARG B 27 -17.596 -1.184 -3.393 1.00 0.37 H new ATOM 0 HG2 ARG B 27 -18.329 -2.828 -5.009 1.00 0.75 H new ATOM 0 HG3 ARG B 27 -18.249 -1.262 -5.790 1.00 0.75 H new ATOM 0 HD2 ARG B 27 -17.308 -2.915 -7.284 1.00 1.00 H new ATOM 0 HD3 ARG B 27 -16.020 -1.860 -6.738 1.00 1.00 H new ATOM 0 HE ARG B 27 -15.051 -3.629 -5.523 1.00 1.79 H new ATOM 0 HH11 ARG B 27 -18.209 -4.544 -6.827 1.00 2.67 H new ATOM 0 HH12 ARG B 27 -17.954 -6.270 -6.547 1.00 2.67 H new ATOM 0 HH21 ARG B 27 -14.714 -5.852 -5.203 1.00 3.28 H new ATOM 0 HH22 ARG B 27 -15.980 -7.008 -5.631 1.00 3.28 H new ATOM 1409 N ILE B 28 -14.861 1.326 -3.099 1.00 0.29 N ATOM 1410 CA ILE B 28 -14.735 2.294 -2.025 1.00 0.30 C ATOM 1411 C ILE B 28 -14.389 3.669 -2.597 1.00 0.30 C ATOM 1412 O ILE B 28 -14.494 3.883 -3.804 1.00 0.33 O ATOM 1413 CB ILE B 28 -13.687 1.830 -0.990 1.00 0.31 C ATOM 1414 CG1 ILE B 28 -13.802 0.319 -0.796 1.00 0.34 C ATOM 1415 CG2 ILE B 28 -13.921 2.527 0.347 1.00 0.34 C ATOM 1416 CD1 ILE B 28 -12.788 -0.257 0.157 1.00 0.37 C ATOM 0 H ILE B 28 -13.996 1.153 -3.611 1.00 0.29 H new ATOM 0 HA ILE B 28 -15.690 2.374 -1.507 1.00 0.30 H new ATOM 0 HB ILE B 28 -12.692 2.084 -1.355 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -14.802 0.085 -0.431 1.00 0.34 H new ATOM 0 HG13 ILE B 28 -13.694 -0.170 -1.764 1.00 0.34 H new ATOM 0 HG21 ILE B 28 -13.176 2.191 1.068 1.00 0.34 H new ATOM 0 HG22 ILE B 28 -13.837 3.606 0.215 1.00 0.34 H new ATOM 0 HG23 ILE B 28 -14.917 2.283 0.715 1.00 0.34 H new ATOM 0 HD11 ILE B 28 -12.937 -1.334 0.240 1.00 0.37 H new ATOM 0 HD12 ILE B 28 -11.783 -0.057 -0.216 1.00 0.37 H new ATOM 0 HD13 ILE B 28 -12.909 0.202 1.138 1.00 0.37 H new ATOM 1428 N ARG B 29 -13.976 4.588 -1.740 1.00 0.28 N ATOM 1429 CA ARG B 29 -13.828 5.988 -2.120 1.00 0.30 C ATOM 1430 C ARG B 29 -12.828 6.681 -1.210 1.00 0.27 C ATOM 1431 O ARG B 29 -11.994 6.024 -0.588 1.00 0.25 O ATOM 1432 CB ARG B 29 -15.201 6.700 -2.074 1.00 0.33 C ATOM 1433 CG ARG B 29 -15.720 7.046 -0.672 1.00 0.57 C ATOM 1434 CD ARG B 29 -15.613 5.874 0.286 1.00 0.59 C ATOM 1435 NE ARG B 29 -16.189 6.164 1.597 1.00 1.03 N ATOM 1436 CZ ARG B 29 -16.868 5.275 2.324 1.00 1.47 C ATOM 1437 NH1 ARG B 29 -17.137 4.072 1.825 1.00 2.15 N ATOM 1438 NH2 ARG B 29 -17.305 5.600 3.538 1.00 1.99 N ATOM 0 H ARG B 29 -13.735 4.390 -0.769 1.00 0.28 H new ATOM 0 HA ARG B 29 -13.449 6.038 -3.141 1.00 0.30 H new ATOM 0 HB2 ARG B 29 -15.133 7.620 -2.654 1.00 0.33 H new ATOM 0 HB3 ARG B 29 -15.936 6.065 -2.568 1.00 0.33 H new ATOM 0 HG2 ARG B 29 -15.155 7.890 -0.276 1.00 0.57 H new ATOM 0 HG3 ARG B 29 -16.761 7.363 -0.740 1.00 0.57 H new ATOM 0 HD2 ARG B 29 -16.118 5.010 -0.145 1.00 0.59 H new ATOM 0 HD3 ARG B 29 -14.564 5.603 0.406 1.00 0.59 H new ATOM 0 HE ARG B 29 -16.065 7.102 1.979 1.00 1.03 H new ATOM 0 HH11 ARG B 29 -16.824 3.828 0.885 1.00 2.15 H new ATOM 0 HH12 ARG B 29 -17.656 3.393 2.382 1.00 2.15 H new ATOM 0 HH21 ARG B 29 -17.121 6.530 3.914 1.00 1.99 H new ATOM 0 HH22 ARG B 29 -17.824 4.919 4.092 1.00 1.99 H new ATOM 1452 N GLU B 30 -12.930 8.003 -1.121 1.00 0.30 N ATOM 1453 CA GLU B 30 -12.063 8.804 -0.264 1.00 0.31 C ATOM 1454 C GLU B 30 -12.384 8.608 1.212 1.00 0.30 C ATOM 1455 O GLU B 30 -12.221 9.509 2.030 1.00 0.36 O ATOM 1456 CB GLU B 30 -12.183 10.275 -0.629 1.00 0.39 C ATOM 1457 CG GLU B 30 -11.497 10.610 -1.932 1.00 0.44 C ATOM 1458 CD GLU B 30 -12.258 10.123 -3.145 1.00 0.55 C ATOM 1459 OE1 GLU B 30 -13.229 10.796 -3.548 1.00 1.18 O ATOM 1460 OE2 GLU B 30 -11.895 9.065 -3.701 1.00 1.08 O ATOM 0 H GLU B 30 -13.616 8.550 -1.641 1.00 0.30 H new ATOM 0 HA GLU B 30 -11.039 8.468 -0.428 1.00 0.31 H new ATOM 0 HB2 GLU B 30 -13.237 10.543 -0.699 1.00 0.39 H new ATOM 0 HB3 GLU B 30 -11.753 10.880 0.169 1.00 0.39 H new ATOM 0 HG2 GLU B 30 -11.368 11.690 -2.001 1.00 0.44 H new ATOM 0 HG3 GLU B 30 -10.500 10.169 -1.935 1.00 0.44 H new ATOM 1467 N GLY B 31 -12.825 7.404 1.538 1.00 0.26 N ATOM 1468 CA GLY B 31 -13.041 7.019 2.907 1.00 0.26 C ATOM 1469 C GLY B 31 -12.721 5.553 3.112 1.00 0.27 C ATOM 1470 O GLY B 31 -13.323 4.886 3.952 1.00 0.35 O ATOM 0 H GLY B 31 -13.040 6.675 0.858 1.00 0.26 H new ATOM 0 HA2 GLY B 31 -12.418 7.627 3.563 1.00 0.26 H new ATOM 0 HA3 GLY B 31 -14.077 7.212 3.184 1.00 0.26 H new ATOM 1474 N ASP B 32 -11.777 5.057 2.317 1.00 0.27 N ATOM 1475 CA ASP B 32 -11.300 3.679 2.427 1.00 0.29 C ATOM 1476 C ASP B 32 -10.225 3.577 3.496 1.00 0.26 C ATOM 1477 O ASP B 32 -9.175 4.212 3.409 1.00 0.29 O ATOM 1478 CB ASP B 32 -10.754 3.198 1.085 1.00 0.35 C ATOM 1479 CG ASP B 32 -10.182 1.794 1.133 1.00 0.41 C ATOM 1480 OD1 ASP B 32 -10.624 0.995 1.983 1.00 1.07 O ATOM 1481 OD2 ASP B 32 -9.303 1.489 0.305 1.00 1.29 O ATOM 0 H ASP B 32 -11.322 5.596 1.580 1.00 0.27 H new ATOM 0 HA ASP B 32 -12.139 3.043 2.712 1.00 0.29 H new ATOM 0 HB2 ASP B 32 -11.553 3.231 0.344 1.00 0.35 H new ATOM 0 HB3 ASP B 32 -9.979 3.887 0.749 1.00 0.35 H new ATOM 1486 N PRO B 33 -10.511 2.803 4.533 1.00 0.21 N ATOM 1487 CA PRO B 33 -9.625 2.606 5.669 1.00 0.24 C ATOM 1488 C PRO B 33 -8.630 1.489 5.478 1.00 0.41 C ATOM 1489 O PRO B 33 -8.683 0.503 6.170 1.00 1.10 O ATOM 1490 CB PRO B 33 -10.560 2.181 6.793 1.00 0.19 C ATOM 1491 CG PRO B 33 -11.923 2.025 6.181 1.00 0.12 C ATOM 1492 CD PRO B 33 -11.746 2.057 4.686 1.00 0.20 C ATOM 0 HA PRO B 33 -9.047 3.513 5.843 1.00 0.24 H new ATOM 0 HB2 PRO B 33 -10.227 1.245 7.241 1.00 0.19 H new ATOM 0 HB3 PRO B 33 -10.575 2.927 7.588 1.00 0.19 H new ATOM 0 HG2 PRO B 33 -12.380 1.086 6.494 1.00 0.12 H new ATOM 0 HG3 PRO B 33 -12.585 2.827 6.507 1.00 0.12 H new ATOM 0 HD2 PRO B 33 -11.670 1.055 4.265 1.00 0.20 H new ATOM 0 HD3 PRO B 33 -12.582 2.549 4.189 1.00 0.20 H new ATOM 1500 N LEU B 34 -7.715 1.618 4.587 1.00 0.25 N ATOM 1501 CA LEU B 34 -6.840 0.502 4.332 1.00 0.19 C ATOM 1502 C LEU B 34 -5.954 0.198 5.535 1.00 0.19 C ATOM 1503 O LEU B 34 -5.583 1.073 6.287 1.00 0.22 O ATOM 1504 CB LEU B 34 -5.956 0.719 3.097 1.00 0.19 C ATOM 1505 CG LEU B 34 -6.623 1.353 1.875 1.00 0.27 C ATOM 1506 CD1 LEU B 34 -6.612 2.872 1.982 1.00 0.32 C ATOM 1507 CD2 LEU B 34 -5.935 0.901 0.596 1.00 0.44 C ATOM 0 H LEU B 34 -7.544 2.455 4.029 1.00 0.25 H new ATOM 0 HA LEU B 34 -7.493 -0.349 4.141 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -5.114 1.346 3.388 1.00 0.19 H new ATOM 0 HB3 LEU B 34 -5.547 -0.246 2.798 1.00 0.19 H new ATOM 0 HG LEU B 34 -7.661 1.022 1.842 1.00 0.27 H new ATOM 0 HD11 LEU B 34 -7.091 3.302 1.103 1.00 0.32 H new ATOM 0 HD12 LEU B 34 -7.154 3.178 2.877 1.00 0.32 H new ATOM 0 HD13 LEU B 34 -5.583 3.225 2.043 1.00 0.32 H new ATOM 0 HD21 LEU B 34 -6.423 1.362 -0.262 1.00 0.44 H new ATOM 0 HD22 LEU B 34 -4.887 1.200 0.621 1.00 0.44 H new ATOM 0 HD23 LEU B 34 -6.001 -0.184 0.511 1.00 0.44 H new ATOM 1519 N GLU B 35 -5.587 -1.057 5.642 1.00 0.18 N ATOM 1520 CA GLU B 35 -4.763 -1.533 6.733 1.00 0.17 C ATOM 1521 C GLU B 35 -3.376 -1.723 6.215 1.00 0.13 C ATOM 1522 O GLU B 35 -3.176 -2.562 5.358 1.00 0.12 O ATOM 1523 CB GLU B 35 -5.277 -2.849 7.316 1.00 0.20 C ATOM 1524 CG GLU B 35 -4.428 -3.365 8.469 1.00 0.21 C ATOM 1525 CD GLU B 35 -4.933 -4.673 9.040 1.00 0.28 C ATOM 1526 OE1 GLU B 35 -6.149 -4.944 8.944 1.00 1.10 O ATOM 1527 OE2 GLU B 35 -4.113 -5.453 9.564 1.00 1.09 O ATOM 0 H GLU B 35 -5.851 -1.781 4.974 1.00 0.18 H new ATOM 0 HA GLU B 35 -4.789 -0.797 7.536 1.00 0.17 H new ATOM 0 HB2 GLU B 35 -6.302 -2.711 7.661 1.00 0.20 H new ATOM 0 HB3 GLU B 35 -5.305 -3.602 6.528 1.00 0.20 H new ATOM 0 HG2 GLU B 35 -3.402 -3.497 8.126 1.00 0.21 H new ATOM 0 HG3 GLU B 35 -4.405 -2.615 9.260 1.00 0.21 H new ATOM 1534 N ILE B 36 -2.442 -0.932 6.712 1.00 0.12 N ATOM 1535 CA ILE B 36 -1.064 -0.996 6.284 1.00 0.11 C ATOM 1536 C ILE B 36 -0.320 -2.018 7.118 1.00 0.11 C ATOM 1537 O ILE B 36 -0.117 -1.825 8.320 1.00 0.14 O ATOM 1538 CB ILE B 36 -0.365 0.385 6.427 1.00 0.13 C ATOM 1539 CG1 ILE B 36 -0.875 1.383 5.383 1.00 0.15 C ATOM 1540 CG2 ILE B 36 1.148 0.251 6.327 1.00 0.17 C ATOM 1541 CD1 ILE B 36 -2.278 1.897 5.630 1.00 0.62 C ATOM 0 H ILE B 36 -2.623 -0.226 7.426 1.00 0.12 H new ATOM 0 HA ILE B 36 -1.049 -1.285 5.233 1.00 0.11 H new ATOM 0 HB ILE B 36 -0.614 0.768 7.417 1.00 0.13 H new ATOM 0 HG12 ILE B 36 -0.193 2.232 5.349 1.00 0.15 H new ATOM 0 HG13 ILE B 36 -0.844 0.909 4.402 1.00 0.15 H new ATOM 0 HG21 ILE B 36 1.608 1.234 6.431 1.00 0.17 H new ATOM 0 HG22 ILE B 36 1.508 -0.404 7.120 1.00 0.17 H new ATOM 0 HG23 ILE B 36 1.412 -0.173 5.358 1.00 0.17 H new ATOM 0 HD11 ILE B 36 -2.553 2.597 4.841 1.00 0.62 H new ATOM 0 HD12 ILE B 36 -2.977 1.060 5.633 1.00 0.62 H new ATOM 0 HD13 ILE B 36 -2.315 2.404 6.594 1.00 0.62 H new ATOM 1553 N PHE B 37 0.035 -3.122 6.499 1.00 0.10 N ATOM 1554 CA PHE B 37 0.838 -4.128 7.155 1.00 0.11 C ATOM 1555 C PHE B 37 1.678 -4.870 6.132 1.00 0.10 C ATOM 1556 O PHE B 37 1.164 -5.373 5.143 1.00 0.10 O ATOM 1557 CB PHE B 37 -0.044 -5.076 7.983 1.00 0.12 C ATOM 1558 CG PHE B 37 -0.743 -6.161 7.211 1.00 0.21 C ATOM 1559 CD1 PHE B 37 -1.964 -5.924 6.604 1.00 1.16 C ATOM 1560 CD2 PHE B 37 -0.183 -7.426 7.112 1.00 1.09 C ATOM 1561 CE1 PHE B 37 -2.612 -6.927 5.912 1.00 1.20 C ATOM 1562 CE2 PHE B 37 -0.825 -8.432 6.418 1.00 1.14 C ATOM 1563 CZ PHE B 37 -2.041 -8.181 5.817 1.00 0.49 C ATOM 0 H PHE B 37 -0.222 -3.346 5.538 1.00 0.10 H new ATOM 0 HA PHE B 37 1.520 -3.643 7.853 1.00 0.11 H new ATOM 0 HB2 PHE B 37 0.576 -5.543 8.749 1.00 0.12 H new ATOM 0 HB3 PHE B 37 -0.797 -4.482 8.501 1.00 0.12 H new ATOM 0 HD1 PHE B 37 -2.414 -4.945 6.673 1.00 1.16 H new ATOM 0 HD2 PHE B 37 0.768 -7.627 7.584 1.00 1.09 H new ATOM 0 HE1 PHE B 37 -3.566 -6.731 5.445 1.00 1.20 H new ATOM 0 HE2 PHE B 37 -0.377 -9.412 6.346 1.00 1.14 H new ATOM 0 HZ PHE B 37 -2.546 -8.965 5.272 1.00 0.49 H new ATOM 1573 N VAL B 38 2.975 -4.912 6.354 1.00 0.10 N ATOM 1574 CA VAL B 38 3.872 -5.565 5.413 1.00 0.10 C ATOM 1575 C VAL B 38 3.863 -7.072 5.612 1.00 0.13 C ATOM 1576 O VAL B 38 3.874 -7.565 6.740 1.00 0.20 O ATOM 1577 CB VAL B 38 5.320 -5.003 5.498 1.00 0.13 C ATOM 1578 CG1 VAL B 38 5.708 -4.705 6.943 1.00 0.18 C ATOM 1579 CG2 VAL B 38 6.332 -5.964 4.865 1.00 0.17 C ATOM 0 H VAL B 38 3.433 -4.506 7.170 1.00 0.10 H new ATOM 0 HA VAL B 38 3.501 -5.347 4.412 1.00 0.10 H new ATOM 0 HB VAL B 38 5.339 -4.070 4.934 1.00 0.13 H new ATOM 0 HG11 VAL B 38 6.725 -4.313 6.973 1.00 0.18 H new ATOM 0 HG12 VAL B 38 5.022 -3.967 7.359 1.00 0.18 H new ATOM 0 HG13 VAL B 38 5.655 -5.622 7.531 1.00 0.18 H new ATOM 0 HG21 VAL B 38 7.333 -5.540 4.942 1.00 0.17 H new ATOM 0 HG22 VAL B 38 6.302 -6.920 5.387 1.00 0.17 H new ATOM 0 HG23 VAL B 38 6.082 -6.116 3.815 1.00 0.17 H new ATOM 1589 N ASP B 39 3.827 -7.776 4.495 1.00 0.14 N ATOM 1590 CA ASP B 39 3.711 -9.224 4.482 1.00 0.19 C ATOM 1591 C ASP B 39 5.039 -9.880 4.825 1.00 0.42 C ATOM 1592 O ASP B 39 5.178 -10.529 5.863 1.00 1.05 O ATOM 1593 CB ASP B 39 3.261 -9.686 3.095 1.00 0.26 C ATOM 1594 CG ASP B 39 2.830 -11.137 3.081 1.00 0.32 C ATOM 1595 OD1 ASP B 39 3.705 -12.022 3.102 1.00 1.14 O ATOM 1596 OD2 ASP B 39 1.614 -11.399 3.045 1.00 1.13 O ATOM 0 H ASP B 39 3.878 -7.358 3.566 1.00 0.14 H new ATOM 0 HA ASP B 39 2.976 -9.518 5.232 1.00 0.19 H new ATOM 0 HB2 ASP B 39 2.434 -9.061 2.758 1.00 0.26 H new ATOM 0 HB3 ASP B 39 4.077 -9.545 2.386 1.00 0.26 H new ATOM 1601 N ARG B 40 6.020 -9.680 3.956 1.00 0.46 N ATOM 1602 CA ARG B 40 7.310 -10.333 4.106 1.00 0.54 C ATOM 1603 C ARG B 40 8.442 -9.333 4.302 1.00 0.52 C ATOM 1604 O ARG B 40 8.700 -8.898 5.422 1.00 0.59 O ATOM 1605 CB ARG B 40 7.614 -11.253 2.920 1.00 0.65 C ATOM 1606 CG ARG B 40 7.068 -10.764 1.593 1.00 0.75 C ATOM 1607 CD ARG B 40 5.961 -11.679 1.095 1.00 0.77 C ATOM 1608 NE ARG B 40 6.440 -13.045 0.862 1.00 1.29 N ATOM 1609 CZ ARG B 40 5.737 -14.144 1.149 1.00 2.04 C ATOM 1610 NH1 ARG B 40 4.553 -14.049 1.736 1.00 2.59 N ATOM 1611 NH2 ARG B 40 6.231 -15.344 0.873 1.00 2.71 N ATOM 0 H ARG B 40 5.946 -9.071 3.141 1.00 0.46 H new ATOM 0 HA ARG B 40 7.245 -10.941 5.008 1.00 0.54 H new ATOM 0 HB2 ARG B 40 8.694 -11.370 2.834 1.00 0.65 H new ATOM 0 HB3 ARG B 40 7.202 -12.241 3.127 1.00 0.65 H new ATOM 0 HG2 ARG B 40 6.685 -9.749 1.704 1.00 0.75 H new ATOM 0 HG3 ARG B 40 7.871 -10.723 0.857 1.00 0.75 H new ATOM 0 HD2 ARG B 40 5.151 -11.698 1.824 1.00 0.77 H new ATOM 0 HD3 ARG B 40 5.547 -11.277 0.170 1.00 0.77 H new ATOM 0 HE ARG B 40 7.368 -13.164 0.455 1.00 1.29 H new ATOM 0 HH11 ARG B 40 4.173 -13.132 1.972 1.00 2.59 H new ATOM 0 HH12 ARG B 40 4.022 -14.892 1.952 1.00 2.59 H new ATOM 0 HH21 ARG B 40 7.151 -15.430 0.440 1.00 2.71 H new ATOM 0 HH22 ARG B 40 5.691 -16.181 1.094 1.00 2.71 H new ATOM 1625 N ASP B 41 9.105 -8.964 3.217 1.00 0.53 N ATOM 1626 CA ASP B 41 10.284 -8.116 3.300 1.00 0.56 C ATOM 1627 C ASP B 41 9.913 -6.650 3.201 1.00 0.48 C ATOM 1628 O ASP B 41 10.000 -5.907 4.178 1.00 0.59 O ATOM 1629 CB ASP B 41 11.278 -8.471 2.195 1.00 0.59 C ATOM 1630 CG ASP B 41 12.522 -7.602 2.240 1.00 0.62 C ATOM 1631 OD1 ASP B 41 13.425 -7.889 3.055 1.00 1.32 O ATOM 1632 OD2 ASP B 41 12.604 -6.622 1.469 1.00 1.18 O ATOM 0 H ASP B 41 8.847 -9.238 2.269 1.00 0.53 H new ATOM 0 HA ASP B 41 10.749 -8.291 4.270 1.00 0.56 H new ATOM 0 HB2 ASP B 41 11.565 -9.518 2.290 1.00 0.59 H new ATOM 0 HB3 ASP B 41 10.794 -8.360 1.224 1.00 0.59 H new ATOM 1637 N GLY B 42 9.503 -6.244 2.019 1.00 0.34 N ATOM 1638 CA GLY B 42 9.174 -4.859 1.795 1.00 0.26 C ATOM 1639 C GLY B 42 7.880 -4.689 1.047 1.00 0.18 C ATOM 1640 O GLY B 42 7.677 -3.684 0.376 1.00 0.17 O ATOM 0 H GLY B 42 9.391 -6.850 1.206 1.00 0.34 H new ATOM 0 HA2 GLY B 42 9.106 -4.345 2.754 1.00 0.26 H new ATOM 0 HA3 GLY B 42 9.979 -4.383 1.235 1.00 0.26 H new ATOM 1644 N GLU B 43 7.016 -5.687 1.137 1.00 0.15 N ATOM 1645 CA GLU B 43 5.702 -5.595 0.529 1.00 0.12 C ATOM 1646 C GLU B 43 4.691 -5.169 1.575 1.00 0.09 C ATOM 1647 O GLU B 43 4.361 -5.944 2.470 1.00 0.09 O ATOM 1648 CB GLU B 43 5.268 -6.927 -0.077 1.00 0.16 C ATOM 1649 CG GLU B 43 6.425 -7.828 -0.465 1.00 0.57 C ATOM 1650 CD GLU B 43 6.061 -8.799 -1.565 1.00 1.17 C ATOM 1651 OE1 GLU B 43 5.367 -9.793 -1.281 1.00 2.07 O ATOM 1652 OE2 GLU B 43 6.469 -8.571 -2.723 1.00 1.65 O ATOM 0 H GLU B 43 7.201 -6.565 1.623 1.00 0.15 H new ATOM 0 HA GLU B 43 5.753 -4.858 -0.272 1.00 0.12 H new ATOM 0 HB2 GLU B 43 4.635 -7.452 0.638 1.00 0.16 H new ATOM 0 HB3 GLU B 43 4.659 -6.733 -0.960 1.00 0.16 H new ATOM 0 HG2 GLU B 43 7.265 -7.215 -0.790 1.00 0.57 H new ATOM 0 HG3 GLU B 43 6.757 -8.385 0.411 1.00 0.57 H new ATOM 1659 N VAL B 44 4.226 -3.937 1.482 1.00 0.08 N ATOM 1660 CA VAL B 44 3.226 -3.443 2.409 1.00 0.07 C ATOM 1661 C VAL B 44 1.844 -3.755 1.878 1.00 0.07 C ATOM 1662 O VAL B 44 1.539 -3.473 0.735 1.00 0.08 O ATOM 1663 CB VAL B 44 3.313 -1.924 2.634 1.00 0.09 C ATOM 1664 CG1 VAL B 44 2.700 -1.562 3.977 1.00 0.10 C ATOM 1665 CG2 VAL B 44 4.749 -1.427 2.532 1.00 0.13 C ATOM 0 H VAL B 44 4.523 -3.263 0.777 1.00 0.08 H new ATOM 0 HA VAL B 44 3.415 -3.940 3.361 1.00 0.07 H new ATOM 0 HB VAL B 44 2.746 -1.427 1.847 1.00 0.09 H new ATOM 0 HG11 VAL B 44 2.766 -0.485 4.128 1.00 0.10 H new ATOM 0 HG12 VAL B 44 1.654 -1.868 3.994 1.00 0.10 H new ATOM 0 HG13 VAL B 44 3.240 -2.074 4.773 1.00 0.10 H new ATOM 0 HG21 VAL B 44 4.774 -0.350 2.696 1.00 0.13 H new ATOM 0 HG22 VAL B 44 5.360 -1.923 3.286 1.00 0.13 H new ATOM 0 HG23 VAL B 44 5.142 -1.652 1.541 1.00 0.13 H new ATOM 1675 N ILE B 45 1.013 -4.316 2.713 1.00 0.07 N ATOM 1676 CA ILE B 45 -0.319 -4.699 2.308 1.00 0.08 C ATOM 1677 C ILE B 45 -1.293 -3.718 2.921 1.00 0.09 C ATOM 1678 O ILE B 45 -1.278 -3.527 4.125 1.00 0.11 O ATOM 1679 CB ILE B 45 -0.669 -6.130 2.766 1.00 0.10 C ATOM 1680 CG1 ILE B 45 0.103 -7.172 1.940 1.00 0.10 C ATOM 1681 CG2 ILE B 45 -2.174 -6.374 2.655 1.00 0.12 C ATOM 1682 CD1 ILE B 45 1.607 -7.074 2.018 1.00 0.09 C ATOM 0 H ILE B 45 1.234 -4.521 3.687 1.00 0.07 H new ATOM 0 HA ILE B 45 -0.376 -4.684 1.220 1.00 0.08 H new ATOM 0 HB ILE B 45 -0.375 -6.234 3.810 1.00 0.10 H new ATOM 0 HG12 ILE B 45 -0.197 -8.167 2.269 1.00 0.10 H new ATOM 0 HG13 ILE B 45 -0.197 -7.078 0.896 1.00 0.10 H new ATOM 0 HG21 ILE B 45 -2.403 -7.388 2.982 1.00 0.12 H new ATOM 0 HG22 ILE B 45 -2.706 -5.661 3.285 1.00 0.12 H new ATOM 0 HG23 ILE B 45 -2.488 -6.247 1.619 1.00 0.12 H new ATOM 0 HD11 ILE B 45 2.055 -7.853 1.401 1.00 0.09 H new ATOM 0 HD12 ILE B 45 1.927 -6.096 1.658 1.00 0.09 H new ATOM 0 HD13 ILE B 45 1.927 -7.202 3.052 1.00 0.09 H new ATOM 1694 N LEU B 46 -2.059 -3.050 2.080 1.00 0.09 N ATOM 1695 CA LEU B 46 -3.077 -2.106 2.525 1.00 0.10 C ATOM 1696 C LEU B 46 -4.457 -2.656 2.217 1.00 0.11 C ATOM 1697 O LEU B 46 -4.797 -2.835 1.056 1.00 0.11 O ATOM 1698 CB LEU B 46 -2.889 -0.792 1.776 1.00 0.11 C ATOM 1699 CG LEU B 46 -1.462 -0.546 1.319 1.00 0.10 C ATOM 1700 CD1 LEU B 46 -1.437 0.511 0.231 1.00 0.15 C ATOM 1701 CD2 LEU B 46 -0.593 -0.135 2.493 1.00 0.13 C ATOM 0 H LEU B 46 -1.996 -3.144 1.066 1.00 0.09 H new ATOM 0 HA LEU B 46 -2.982 -1.947 3.599 1.00 0.10 H new ATOM 0 HB2 LEU B 46 -3.546 -0.783 0.906 1.00 0.11 H new ATOM 0 HB3 LEU B 46 -3.201 0.030 2.420 1.00 0.11 H new ATOM 0 HG LEU B 46 -1.059 -1.472 0.908 1.00 0.10 H new ATOM 0 HD11 LEU B 46 -0.409 0.679 -0.089 1.00 0.15 H new ATOM 0 HD12 LEU B 46 -2.031 0.173 -0.618 1.00 0.15 H new ATOM 0 HD13 LEU B 46 -1.853 1.441 0.618 1.00 0.15 H new ATOM 0 HD21 LEU B 46 0.427 0.037 2.148 1.00 0.13 H new ATOM 0 HD22 LEU B 46 -0.987 0.781 2.934 1.00 0.13 H new ATOM 0 HD23 LEU B 46 -0.594 -0.928 3.241 1.00 0.13 H new ATOM 1713 N LYS B 47 -5.255 -2.923 3.235 1.00 0.12 N ATOM 1714 CA LYS B 47 -6.582 -3.481 2.989 1.00 0.16 C ATOM 1715 C LYS B 47 -7.702 -2.746 3.741 1.00 0.14 C ATOM 1716 O LYS B 47 -7.560 -2.409 4.898 1.00 0.14 O ATOM 1717 CB LYS B 47 -6.556 -4.988 3.258 1.00 0.22 C ATOM 1718 CG LYS B 47 -7.698 -5.526 4.089 1.00 0.24 C ATOM 1719 CD LYS B 47 -7.386 -5.439 5.568 1.00 0.40 C ATOM 1720 CE LYS B 47 -6.044 -6.086 5.891 1.00 0.52 C ATOM 1721 NZ LYS B 47 -6.097 -6.886 7.144 1.00 0.95 N ATOM 0 H LYS B 47 -5.021 -2.770 4.216 1.00 0.12 H new ATOM 0 HA LYS B 47 -6.830 -3.325 1.939 1.00 0.16 H new ATOM 0 HB2 LYS B 47 -6.551 -5.509 2.301 1.00 0.22 H new ATOM 0 HB3 LYS B 47 -5.620 -5.233 3.759 1.00 0.22 H new ATOM 0 HG2 LYS B 47 -8.606 -4.963 3.872 1.00 0.24 H new ATOM 0 HG3 LYS B 47 -7.893 -6.563 3.816 1.00 0.24 H new ATOM 0 HD2 LYS B 47 -7.372 -4.394 5.878 1.00 0.40 H new ATOM 0 HD3 LYS B 47 -8.175 -5.930 6.138 1.00 0.40 H new ATOM 0 HE2 LYS B 47 -5.743 -6.728 5.063 1.00 0.52 H new ATOM 0 HE3 LYS B 47 -5.282 -5.312 5.987 1.00 0.52 H new ATOM 0 HZ1 LYS B 47 -5.142 -7.224 7.381 1.00 0.95 H new ATOM 0 HZ2 LYS B 47 -6.457 -6.293 7.919 1.00 0.95 H new ATOM 0 HZ3 LYS B 47 -6.729 -7.701 7.009 1.00 0.95 H new ATOM 1735 N LYS B 48 -8.825 -2.586 3.043 1.00 0.17 N ATOM 1736 CA LYS B 48 -9.975 -1.715 3.403 1.00 0.17 C ATOM 1737 C LYS B 48 -10.394 -1.612 4.889 1.00 0.13 C ATOM 1738 O LYS B 48 -11.175 -0.731 5.218 1.00 0.16 O ATOM 1739 CB LYS B 48 -11.178 -2.196 2.623 1.00 0.22 C ATOM 1740 CG LYS B 48 -11.292 -3.710 2.632 1.00 0.24 C ATOM 1741 CD LYS B 48 -11.675 -4.254 1.272 1.00 0.35 C ATOM 1742 CE LYS B 48 -13.142 -4.028 0.955 1.00 0.43 C ATOM 1743 NZ LYS B 48 -13.532 -4.687 -0.319 1.00 0.64 N ATOM 0 H LYS B 48 -8.979 -3.080 2.164 1.00 0.17 H new ATOM 0 HA LYS B 48 -9.624 -0.712 3.160 1.00 0.17 H new ATOM 0 HB2 LYS B 48 -12.083 -1.762 3.048 1.00 0.22 H new ATOM 0 HB3 LYS B 48 -11.108 -1.844 1.594 1.00 0.22 H new ATOM 0 HG2 LYS B 48 -10.342 -4.144 2.942 1.00 0.24 H new ATOM 0 HG3 LYS B 48 -12.037 -4.014 3.368 1.00 0.24 H new ATOM 0 HD2 LYS B 48 -11.062 -3.778 0.507 1.00 0.35 H new ATOM 0 HD3 LYS B 48 -11.458 -5.321 1.235 1.00 0.35 H new ATOM 0 HE2 LYS B 48 -13.755 -4.415 1.769 1.00 0.43 H new ATOM 0 HE3 LYS B 48 -13.340 -2.958 0.888 1.00 0.43 H new ATOM 0 HZ1 LYS B 48 -14.475 -5.113 -0.215 1.00 0.64 H new ATOM 0 HZ2 LYS B 48 -13.554 -3.981 -1.082 1.00 0.64 H new ATOM 0 HZ3 LYS B 48 -12.841 -5.428 -0.552 1.00 0.64 H new ATOM 1757 N TYR B 49 -9.963 -2.528 5.750 1.00 0.13 N ATOM 1758 CA TYR B 49 -10.250 -2.469 7.206 1.00 0.15 C ATOM 1759 C TYR B 49 -11.706 -2.791 7.548 1.00 0.18 C ATOM 1760 O TYR B 49 -11.977 -3.601 8.431 1.00 0.25 O ATOM 1761 CB TYR B 49 -9.950 -1.108 7.808 1.00 0.19 C ATOM 1762 CG TYR B 49 -10.372 -0.959 9.259 1.00 0.31 C ATOM 1763 CD1 TYR B 49 -9.860 -1.792 10.249 1.00 1.14 C ATOM 1764 CD2 TYR B 49 -11.283 0.019 9.633 1.00 1.18 C ATOM 1765 CE1 TYR B 49 -10.248 -1.652 11.569 1.00 1.19 C ATOM 1766 CE2 TYR B 49 -11.675 0.166 10.949 1.00 1.26 C ATOM 1767 CZ TYR B 49 -11.155 -0.671 11.914 1.00 0.62 C ATOM 1768 OH TYR B 49 -11.544 -0.524 13.228 1.00 0.79 O ATOM 0 H TYR B 49 -9.405 -3.336 5.474 1.00 0.13 H new ATOM 0 HA TYR B 49 -9.592 -3.228 7.629 1.00 0.15 H new ATOM 0 HB2 TYR B 49 -8.879 -0.918 7.732 1.00 0.19 H new ATOM 0 HB3 TYR B 49 -10.452 -0.343 7.216 1.00 0.19 H new ATOM 0 HD1 TYR B 49 -9.149 -2.560 9.982 1.00 1.14 H new ATOM 0 HD2 TYR B 49 -11.693 0.677 8.881 1.00 1.18 H new ATOM 0 HE1 TYR B 49 -9.843 -2.307 12.326 1.00 1.19 H new ATOM 0 HE2 TYR B 49 -12.385 0.933 11.221 1.00 1.26 H new ATOM 0 HH TYR B 49 -12.186 0.213 13.299 1.00 0.79 H new ATOM 1778 N SER B 50 -12.630 -2.107 6.876 1.00 0.20 N ATOM 1779 CA SER B 50 -14.052 -2.178 7.190 1.00 0.28 C ATOM 1780 C SER B 50 -14.558 -3.632 7.256 1.00 0.29 C ATOM 1781 O SER B 50 -15.184 -4.015 8.244 1.00 0.35 O ATOM 1782 CB SER B 50 -14.849 -1.305 6.201 1.00 0.39 C ATOM 1783 OG SER B 50 -14.240 -1.285 4.918 1.00 1.22 O ATOM 0 H SER B 50 -12.411 -1.487 6.096 1.00 0.20 H new ATOM 0 HA SER B 50 -14.211 -1.775 8.190 1.00 0.28 H new ATOM 0 HB2 SER B 50 -15.867 -1.686 6.116 1.00 0.39 H new ATOM 0 HB3 SER B 50 -14.920 -0.288 6.587 1.00 0.39 H new ATOM 0 HG SER B 50 -14.770 -0.725 4.313 1.00 1.22 H new ATOM 1789 N PRO B 51 -14.303 -4.472 6.229 1.00 0.34 N ATOM 1790 CA PRO B 51 -14.514 -5.913 6.325 1.00 0.43 C ATOM 1791 C PRO B 51 -13.235 -6.641 6.696 1.00 0.45 C ATOM 1792 O PRO B 51 -13.121 -7.856 6.525 1.00 0.56 O ATOM 1793 CB PRO B 51 -14.874 -6.270 4.907 1.00 0.52 C ATOM 1794 CG PRO B 51 -13.980 -5.393 4.099 1.00 0.47 C ATOM 1795 CD PRO B 51 -13.863 -4.104 4.869 1.00 0.41 C ATOM 0 HA PRO B 51 -15.254 -6.181 7.079 1.00 0.43 H new ATOM 0 HB2 PRO B 51 -14.697 -7.325 4.700 1.00 0.52 H new ATOM 0 HB3 PRO B 51 -15.926 -6.076 4.697 1.00 0.52 H new ATOM 0 HG2 PRO B 51 -13.003 -5.855 3.959 1.00 0.47 H new ATOM 0 HG3 PRO B 51 -14.396 -5.219 3.107 1.00 0.47 H new ATOM 0 HD2 PRO B 51 -12.840 -3.727 4.867 1.00 0.41 H new ATOM 0 HD3 PRO B 51 -14.492 -3.323 4.442 1.00 0.41 H new ATOM 1803 N ILE B 52 -12.275 -5.880 7.191 1.00 0.37 N ATOM 1804 CA ILE B 52 -10.933 -6.376 7.407 1.00 0.45 C ATOM 1805 C ILE B 52 -10.440 -6.987 6.104 1.00 0.57 C ATOM 1806 O ILE B 52 -10.561 -6.364 5.048 1.00 0.57 O ATOM 1807 CB ILE B 52 -10.897 -7.388 8.572 1.00 0.60 C ATOM 1808 CG1 ILE B 52 -11.889 -6.948 9.646 1.00 0.50 C ATOM 1809 CG2 ILE B 52 -9.493 -7.479 9.165 1.00 0.73 C ATOM 1810 CD1 ILE B 52 -11.934 -7.861 10.853 1.00 0.70 C ATOM 0 H ILE B 52 -12.406 -4.903 7.453 1.00 0.37 H new ATOM 0 HA ILE B 52 -10.270 -5.560 7.694 1.00 0.45 H new ATOM 0 HB ILE B 52 -11.172 -8.374 8.196 1.00 0.60 H new ATOM 0 HG12 ILE B 52 -11.631 -5.941 9.974 1.00 0.50 H new ATOM 0 HG13 ILE B 52 -12.885 -6.894 9.206 1.00 0.50 H new ATOM 0 HG21 ILE B 52 -9.490 -8.198 9.985 1.00 0.73 H new ATOM 0 HG22 ILE B 52 -8.793 -7.804 8.395 1.00 0.73 H new ATOM 0 HG23 ILE B 52 -9.192 -6.501 9.539 1.00 0.73 H new ATOM 0 HD11 ILE B 52 -12.662 -7.481 11.570 1.00 0.70 H new ATOM 0 HD12 ILE B 52 -12.223 -8.864 10.540 1.00 0.70 H new ATOM 0 HD13 ILE B 52 -10.950 -7.896 11.320 1.00 0.70 H new