USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 292 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 LYS N :NH3+ -173:sc= -0.125 (180deg=-0.145) USER MOD Set 1.2: A 5 THR OG1 : rot 8:sc= 1.26 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0157) USER MOD Single : A 8 SER OG : rot 70:sc= 1.05 USER MOD Single : A 19 LYS NZ :NH3+ -119:sc= -0.145 (180deg=-0.15) USER MOD Single : A 20 THR OG1 : rot 73:sc= 0.606 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.405 0.379 -1.449 1.00 12.25 N ATOM 2 CA LYS A 1 2.782 0.524 -1.932 1.00 4.03 C ATOM 3 C LYS A 1 3.350 -0.798 -2.454 1.00 53.22 C ATOM 4 O LYS A 1 4.371 -0.822 -3.149 1.00 14.13 O ATOM 5 CB LYS A 1 3.699 1.194 -0.858 1.00 23.41 C ATOM 6 CG LYS A 1 3.675 0.562 0.543 1.00 20.11 C ATOM 7 CD LYS A 1 4.370 -0.790 0.603 1.00 24.51 C ATOM 8 CE LYS A 1 4.145 -1.450 1.938 1.00 51.23 C ATOM 9 NZ LYS A 1 4.798 -2.766 2.033 1.00 31.41 N ATOM 0 H1 LYS A 1 1.018 1.316 -1.216 1.00 12.25 H new ATOM 0 H2 LYS A 1 0.822 -0.062 -2.189 1.00 12.25 H new ATOM 0 H3 LYS A 1 1.397 -0.220 -0.599 1.00 12.25 H new ATOM 0 HA LYS A 1 2.758 1.200 -2.787 1.00 4.03 H new ATOM 0 HB2 LYS A 1 4.725 1.176 -1.224 1.00 23.41 H new ATOM 0 HB3 LYS A 1 3.411 2.241 -0.767 1.00 23.41 H new ATOM 0 HG2 LYS A 1 4.154 1.241 1.249 1.00 20.11 H new ATOM 0 HG3 LYS A 1 2.640 0.446 0.864 1.00 20.11 H new ATOM 0 HD2 LYS A 1 3.994 -1.433 -0.193 1.00 24.51 H new ATOM 0 HD3 LYS A 1 5.439 -0.662 0.431 1.00 24.51 H new ATOM 0 HE2 LYS A 1 4.524 -0.802 2.729 1.00 51.23 H new ATOM 0 HE3 LYS A 1 3.074 -1.566 2.107 1.00 51.23 H new ATOM 0 HZ1 LYS A 1 4.613 -3.178 2.970 1.00 31.41 H new ATOM 0 HZ2 LYS A 1 4.419 -3.395 1.297 1.00 31.41 H new ATOM 0 HZ3 LYS A 1 5.823 -2.655 1.900 1.00 31.41 H new ATOM 25 N ASP A 2 2.722 -1.900 -2.096 1.00 63.32 N ATOM 26 CA ASP A 2 3.128 -3.197 -2.611 1.00 31.10 C ATOM 27 C ASP A 2 2.533 -3.403 -4.006 1.00 51.14 C ATOM 28 O ASP A 2 1.523 -2.768 -4.351 1.00 41.04 O ATOM 29 CB ASP A 2 2.662 -4.305 -1.672 1.00 5.52 C ATOM 30 CG ASP A 2 3.103 -5.671 -2.122 1.00 12.13 C ATOM 31 OD1 ASP A 2 4.254 -6.062 -1.839 1.00 13.24 O ATOM 32 OD2 ASP A 2 2.318 -6.370 -2.778 1.00 25.45 O ATOM 0 H ASP A 2 1.931 -1.926 -1.453 1.00 63.32 H new ATOM 0 HA ASP A 2 4.215 -3.232 -2.676 1.00 31.10 H new ATOM 0 HB2 ASP A 2 3.049 -4.114 -0.671 1.00 5.52 H new ATOM 0 HB3 ASP A 2 1.574 -4.283 -1.603 1.00 5.52 H new ATOM 37 N ILE A 3 3.127 -4.293 -4.776 1.00 42.52 N ATOM 38 CA ILE A 3 2.698 -4.579 -6.141 1.00 21.51 C ATOM 39 C ILE A 3 1.255 -5.076 -6.131 1.00 14.03 C ATOM 40 O ILE A 3 0.425 -4.641 -6.940 1.00 22.44 O ATOM 41 CB ILE A 3 3.611 -5.654 -6.863 1.00 34.41 C ATOM 42 CG1 ILE A 3 5.082 -5.195 -7.027 1.00 41.21 C ATOM 43 CG2 ILE A 3 3.043 -6.041 -8.227 1.00 52.11 C ATOM 44 CD1 ILE A 3 5.894 -5.146 -5.748 1.00 74.24 C ATOM 0 H ILE A 3 3.929 -4.846 -4.474 1.00 42.52 H new ATOM 0 HA ILE A 3 2.785 -3.648 -6.701 1.00 21.51 H new ATOM 0 HB ILE A 3 3.610 -6.525 -6.207 1.00 34.41 H new ATOM 0 HG12 ILE A 3 5.579 -5.867 -7.727 1.00 41.21 H new ATOM 0 HG13 ILE A 3 5.087 -4.203 -7.479 1.00 41.21 H new ATOM 0 HG21 ILE A 3 3.693 -6.780 -8.696 1.00 52.11 H new ATOM 0 HG22 ILE A 3 2.046 -6.463 -8.100 1.00 52.11 H new ATOM 0 HG23 ILE A 3 2.984 -5.156 -8.861 1.00 52.11 H new ATOM 0 HD11 ILE A 3 6.907 -4.813 -5.973 1.00 74.24 H new ATOM 0 HD12 ILE A 3 5.430 -4.450 -5.049 1.00 74.24 H new ATOM 0 HD13 ILE A 3 5.929 -6.140 -5.301 1.00 74.24 H new ATOM 56 N ASN A 4 0.937 -5.925 -5.174 1.00 73.25 N ATOM 57 CA ASN A 4 -0.401 -6.484 -5.095 1.00 54.14 C ATOM 58 C ASN A 4 -1.435 -5.437 -4.689 1.00 21.23 C ATOM 59 O ASN A 4 -2.565 -5.437 -5.202 1.00 45.14 O ATOM 60 CB ASN A 4 -0.485 -7.724 -4.203 1.00 41.02 C ATOM 61 CG ASN A 4 -1.903 -8.259 -4.156 1.00 64.02 C ATOM 62 OD1 ASN A 4 -2.682 -7.925 -3.260 1.00 3.11 O ATOM 63 ND2 ASN A 4 -2.265 -9.040 -5.131 1.00 23.24 N ATOM 0 H ASN A 4 1.578 -6.241 -4.446 1.00 73.25 H new ATOM 0 HA ASN A 4 -0.641 -6.815 -6.105 1.00 54.14 H new ATOM 0 HB2 ASN A 4 0.187 -8.495 -4.580 1.00 41.02 H new ATOM 0 HB3 ASN A 4 -0.152 -7.476 -3.195 1.00 41.02 H new ATOM 0 HD21 ASN A 4 -3.220 -9.397 -5.171 1.00 23.24 H new ATOM 0 HD22 ASN A 4 -1.594 -9.296 -5.855 1.00 23.24 H new ATOM 70 N THR A 5 -1.048 -4.501 -3.823 1.00 14.53 N ATOM 71 CA THR A 5 -1.971 -3.439 -3.447 1.00 11.04 C ATOM 72 C THR A 5 -2.298 -2.562 -4.657 1.00 32.32 C ATOM 73 O THR A 5 -3.403 -2.061 -4.795 1.00 70.41 O ATOM 74 CB THR A 5 -1.490 -2.593 -2.229 1.00 70.53 C ATOM 75 OG1 THR A 5 -0.140 -2.111 -2.414 1.00 3.44 O ATOM 76 CG2 THR A 5 -1.566 -3.410 -0.950 1.00 54.40 C ATOM 0 H THR A 5 -0.129 -4.457 -3.382 1.00 14.53 H new ATOM 0 HA THR A 5 -2.887 -3.925 -3.110 1.00 11.04 H new ATOM 0 HB THR A 5 -2.154 -1.732 -2.151 1.00 70.53 H new ATOM 0 HG1 THR A 5 0.156 -2.309 -3.327 1.00 3.44 H new ATOM 0 HG21 THR A 5 -1.226 -2.804 -0.110 1.00 54.40 H new ATOM 0 HG22 THR A 5 -2.596 -3.723 -0.779 1.00 54.40 H new ATOM 0 HG23 THR A 5 -0.930 -4.290 -1.042 1.00 54.40 H new ATOM 84 N ILE A 6 -1.354 -2.479 -5.586 1.00 64.42 N ATOM 85 CA ILE A 6 -1.552 -1.736 -6.814 1.00 44.52 C ATOM 86 C ILE A 6 -2.497 -2.502 -7.729 1.00 70.44 C ATOM 87 O ILE A 6 -3.351 -1.914 -8.407 1.00 22.42 O ATOM 88 CB ILE A 6 -0.203 -1.433 -7.528 1.00 42.24 C ATOM 89 CG1 ILE A 6 0.698 -0.595 -6.612 1.00 52.03 C ATOM 90 CG2 ILE A 6 -0.415 -0.728 -8.863 1.00 73.45 C ATOM 91 CD1 ILE A 6 0.039 0.670 -6.101 1.00 23.44 C ATOM 0 H ILE A 6 -0.439 -2.922 -5.507 1.00 64.42 H new ATOM 0 HA ILE A 6 -2.000 -0.774 -6.565 1.00 44.52 H new ATOM 0 HB ILE A 6 0.286 -2.384 -7.739 1.00 42.24 H new ATOM 0 HG12 ILE A 6 1.003 -1.204 -5.761 1.00 52.03 H new ATOM 0 HG13 ILE A 6 1.605 -0.328 -7.155 1.00 52.03 H new ATOM 0 HG21 ILE A 6 0.551 -0.534 -9.330 1.00 73.45 H new ATOM 0 HG22 ILE A 6 -1.014 -1.361 -9.518 1.00 73.45 H new ATOM 0 HG23 ILE A 6 -0.934 0.216 -8.697 1.00 73.45 H new ATOM 0 HD11 ILE A 6 0.736 1.210 -5.460 1.00 23.44 H new ATOM 0 HD12 ILE A 6 -0.242 1.300 -6.945 1.00 23.44 H new ATOM 0 HD13 ILE A 6 -0.852 0.411 -5.530 1.00 23.44 H new ATOM 103 N LYS A 7 -2.418 -3.828 -7.683 1.00 42.20 N ATOM 104 CA LYS A 7 -3.305 -4.645 -8.476 1.00 70.31 C ATOM 105 C LYS A 7 -4.665 -4.737 -7.794 1.00 64.50 C ATOM 106 O LYS A 7 -5.607 -5.303 -8.320 1.00 10.14 O ATOM 107 CB LYS A 7 -2.706 -6.032 -8.762 1.00 73.40 C ATOM 108 CG LYS A 7 -1.385 -5.994 -9.543 1.00 4.12 C ATOM 109 CD LYS A 7 -1.533 -5.267 -10.886 1.00 12.00 C ATOM 110 CE LYS A 7 -0.210 -5.190 -11.651 1.00 11.30 C ATOM 111 NZ LYS A 7 0.285 -6.516 -12.078 1.00 62.01 N ATOM 0 H LYS A 7 -1.754 -4.347 -7.109 1.00 42.20 H new ATOM 0 HA LYS A 7 -3.439 -4.170 -9.448 1.00 70.31 H new ATOM 0 HB2 LYS A 7 -2.542 -6.547 -7.816 1.00 73.40 H new ATOM 0 HB3 LYS A 7 -3.431 -6.621 -9.324 1.00 73.40 H new ATOM 0 HG2 LYS A 7 -0.623 -5.496 -8.943 1.00 4.12 H new ATOM 0 HG3 LYS A 7 -1.038 -7.012 -9.718 1.00 4.12 H new ATOM 0 HD2 LYS A 7 -2.274 -5.783 -11.497 1.00 12.00 H new ATOM 0 HD3 LYS A 7 -1.909 -4.259 -10.712 1.00 12.00 H new ATOM 0 HE2 LYS A 7 -0.340 -4.556 -12.528 1.00 11.30 H new ATOM 0 HE3 LYS A 7 0.541 -4.713 -11.021 1.00 11.30 H new ATOM 0 HZ1 LYS A 7 1.137 -6.397 -12.663 1.00 62.01 H new ATOM 0 HZ2 LYS A 7 0.517 -7.086 -11.240 1.00 62.01 H new ATOM 0 HZ3 LYS A 7 -0.450 -6.999 -12.632 1.00 62.01 H new ATOM 125 N SER A 8 -4.758 -4.170 -6.626 1.00 60.33 N ATOM 126 CA SER A 8 -6.020 -4.078 -5.963 1.00 64.52 C ATOM 127 C SER A 8 -6.622 -2.704 -6.246 1.00 71.21 C ATOM 128 O SER A 8 -7.748 -2.604 -6.699 1.00 44.30 O ATOM 129 CB SER A 8 -5.856 -4.343 -4.470 1.00 22.22 C ATOM 130 OG SER A 8 -5.209 -5.599 -4.258 1.00 41.32 O ATOM 0 H SER A 8 -3.973 -3.765 -6.115 1.00 60.33 H new ATOM 0 HA SER A 8 -6.704 -4.837 -6.341 1.00 64.52 H new ATOM 0 HB2 SER A 8 -5.272 -3.544 -4.014 1.00 22.22 H new ATOM 0 HB3 SER A 8 -6.832 -4.342 -3.984 1.00 22.22 H new ATOM 0 HG SER A 8 -4.273 -5.537 -4.542 1.00 41.32 H new ATOM 136 N LEU A 9 -5.835 -1.655 -6.053 1.00 42.50 N ATOM 137 CA LEU A 9 -6.292 -0.294 -6.303 1.00 42.32 C ATOM 138 C LEU A 9 -6.701 -0.101 -7.746 1.00 1.05 C ATOM 139 O LEU A 9 -7.811 0.315 -8.034 1.00 53.22 O ATOM 140 CB LEU A 9 -5.209 0.736 -5.966 1.00 30.55 C ATOM 141 CG LEU A 9 -4.728 0.788 -4.525 1.00 72.41 C ATOM 142 CD1 LEU A 9 -3.750 1.930 -4.347 1.00 54.31 C ATOM 143 CD2 LEU A 9 -5.898 0.927 -3.580 1.00 75.20 C ATOM 0 H LEU A 9 -4.872 -1.721 -5.722 1.00 42.50 H new ATOM 0 HA LEU A 9 -7.155 -0.140 -5.655 1.00 42.32 H new ATOM 0 HB2 LEU A 9 -4.347 0.541 -6.604 1.00 30.55 H new ATOM 0 HB3 LEU A 9 -5.586 1.723 -6.233 1.00 30.55 H new ATOM 0 HG LEU A 9 -4.216 -0.145 -4.290 1.00 72.41 H new ATOM 0 HD11 LEU A 9 -3.410 1.960 -3.312 1.00 54.31 H new ATOM 0 HD12 LEU A 9 -2.894 1.782 -5.006 1.00 54.31 H new ATOM 0 HD13 LEU A 9 -4.241 2.871 -4.595 1.00 54.31 H new ATOM 0 HD21 LEU A 9 -5.534 0.963 -2.553 1.00 75.20 H new ATOM 0 HD22 LEU A 9 -6.440 1.845 -3.805 1.00 75.20 H new ATOM 0 HD23 LEU A 9 -6.565 0.073 -3.699 1.00 75.20 H new ATOM 155 N ARG A 10 -5.814 -0.413 -8.644 1.00 34.45 N ATOM 156 CA ARG A 10 -6.061 -0.162 -10.049 1.00 64.33 C ATOM 157 C ARG A 10 -7.006 -1.192 -10.657 1.00 12.32 C ATOM 158 O ARG A 10 -8.051 -0.834 -11.208 1.00 42.24 O ATOM 159 CB ARG A 10 -4.749 -0.099 -10.824 1.00 11.14 C ATOM 160 CG ARG A 10 -4.907 0.319 -12.274 1.00 64.43 C ATOM 161 CD ARG A 10 -3.589 0.440 -12.953 1.00 35.22 C ATOM 162 NE ARG A 10 -3.775 0.773 -14.343 1.00 53.12 N ATOM 163 CZ ARG A 10 -2.882 1.340 -15.120 1.00 24.23 C ATOM 164 NH1 ARG A 10 -1.672 1.684 -14.648 1.00 5.03 N ATOM 165 NH2 ARG A 10 -3.202 1.576 -16.370 1.00 35.10 N ATOM 0 H ARG A 10 -4.912 -0.841 -8.438 1.00 34.45 H new ATOM 0 HA ARG A 10 -6.554 0.807 -10.125 1.00 64.33 H new ATOM 0 HB2 ARG A 10 -4.078 0.601 -10.326 1.00 11.14 H new ATOM 0 HB3 ARG A 10 -4.271 -1.078 -10.789 1.00 11.14 H new ATOM 0 HG2 ARG A 10 -5.522 -0.411 -12.799 1.00 64.43 H new ATOM 0 HG3 ARG A 10 -5.432 1.273 -12.324 1.00 64.43 H new ATOM 0 HD2 ARG A 10 -2.989 1.208 -12.465 1.00 35.22 H new ATOM 0 HD3 ARG A 10 -3.039 -0.497 -12.866 1.00 35.22 H new ATOM 0 HE ARG A 10 -4.679 0.549 -14.759 1.00 53.12 H new ATOM 0 HH11 ARG A 10 -1.436 1.505 -13.672 1.00 5.03 H new ATOM 0 HH12 ARG A 10 -0.990 2.124 -15.266 1.00 5.03 H new ATOM 0 HH21 ARG A 10 -4.126 1.320 -16.717 1.00 35.10 H new ATOM 0 HH22 ARG A 10 -2.526 2.016 -16.995 1.00 35.10 H new ATOM 179 N VAL A 11 -6.672 -2.463 -10.504 1.00 62.23 N ATOM 180 CA VAL A 11 -7.437 -3.539 -11.131 1.00 22.35 C ATOM 181 C VAL A 11 -8.877 -3.611 -10.603 1.00 32.11 C ATOM 182 O VAL A 11 -9.798 -3.924 -11.350 1.00 71.41 O ATOM 183 CB VAL A 11 -6.716 -4.916 -11.033 1.00 21.52 C ATOM 184 CG1 VAL A 11 -7.528 -6.035 -11.684 1.00 10.55 C ATOM 185 CG2 VAL A 11 -5.338 -4.831 -11.679 1.00 71.23 C ATOM 0 H VAL A 11 -5.876 -2.780 -9.951 1.00 62.23 H new ATOM 0 HA VAL A 11 -7.499 -3.292 -12.191 1.00 22.35 H new ATOM 0 HB VAL A 11 -6.611 -5.157 -9.975 1.00 21.52 H new ATOM 0 HG11 VAL A 11 -6.988 -6.977 -11.592 1.00 10.55 H new ATOM 0 HG12 VAL A 11 -8.494 -6.121 -11.186 1.00 10.55 H new ATOM 0 HG13 VAL A 11 -7.682 -5.806 -12.738 1.00 10.55 H new ATOM 0 HG21 VAL A 11 -4.841 -5.799 -11.606 1.00 71.23 H new ATOM 0 HG22 VAL A 11 -5.444 -4.556 -12.728 1.00 71.23 H new ATOM 0 HG23 VAL A 11 -4.741 -4.077 -11.165 1.00 71.23 H new ATOM 195 N LEU A 12 -9.104 -3.263 -9.346 1.00 22.34 N ATOM 196 CA LEU A 12 -10.479 -3.278 -8.859 1.00 33.44 C ATOM 197 C LEU A 12 -11.236 -2.070 -9.361 1.00 43.21 C ATOM 198 O LEU A 12 -12.434 -2.133 -9.639 1.00 4.32 O ATOM 199 CB LEU A 12 -10.591 -3.483 -7.353 1.00 23.04 C ATOM 200 CG LEU A 12 -9.975 -4.777 -6.809 1.00 41.31 C ATOM 201 CD1 LEU A 12 -10.160 -4.871 -5.306 1.00 20.34 C ATOM 202 CD2 LEU A 12 -10.560 -5.995 -7.505 1.00 54.34 C ATOM 0 H LEU A 12 -8.394 -2.979 -8.671 1.00 22.34 H new ATOM 0 HA LEU A 12 -10.960 -4.161 -9.280 1.00 33.44 H new ATOM 0 HB2 LEU A 12 -10.116 -2.639 -6.854 1.00 23.04 H new ATOM 0 HB3 LEU A 12 -11.646 -3.462 -7.080 1.00 23.04 H new ATOM 0 HG LEU A 12 -8.906 -4.754 -7.018 1.00 41.31 H new ATOM 0 HD11 LEU A 12 -9.715 -5.797 -4.942 1.00 20.34 H new ATOM 0 HD12 LEU A 12 -9.674 -4.022 -4.826 1.00 20.34 H new ATOM 0 HD13 LEU A 12 -11.224 -4.862 -5.069 1.00 20.34 H new ATOM 0 HD21 LEU A 12 -10.105 -6.899 -7.100 1.00 54.34 H new ATOM 0 HD22 LEU A 12 -11.637 -6.026 -7.341 1.00 54.34 H new ATOM 0 HD23 LEU A 12 -10.358 -5.935 -8.574 1.00 54.34 H new ATOM 214 N ARG A 13 -10.511 -1.012 -9.593 1.00 22.11 N ATOM 215 CA ARG A 13 -11.093 0.181 -10.217 1.00 55.43 C ATOM 216 C ARG A 13 -11.252 -0.046 -11.719 1.00 52.42 C ATOM 217 O ARG A 13 -11.734 0.812 -12.449 1.00 4.42 O ATOM 218 CB ARG A 13 -10.300 1.466 -9.929 1.00 42.44 C ATOM 219 CG ARG A 13 -10.346 1.925 -8.473 1.00 33.02 C ATOM 220 CD ARG A 13 -11.766 2.200 -8.009 1.00 25.13 C ATOM 221 NE ARG A 13 -12.406 3.280 -8.761 1.00 41.13 N ATOM 222 CZ ARG A 13 -13.718 3.356 -9.039 1.00 72.04 C ATOM 223 NH1 ARG A 13 -14.564 2.395 -8.643 1.00 14.32 N ATOM 224 NH2 ARG A 13 -14.179 4.395 -9.706 1.00 13.33 N ATOM 0 H ARG A 13 -9.519 -0.934 -9.367 1.00 22.11 H new ATOM 0 HA ARG A 13 -12.074 0.334 -9.767 1.00 55.43 H new ATOM 0 HB2 ARG A 13 -9.260 1.308 -10.214 1.00 42.44 H new ATOM 0 HB3 ARG A 13 -10.686 2.266 -10.561 1.00 42.44 H new ATOM 0 HG2 ARG A 13 -9.898 1.161 -7.837 1.00 33.02 H new ATOM 0 HG3 ARG A 13 -9.746 2.827 -8.358 1.00 33.02 H new ATOM 0 HD2 ARG A 13 -12.359 1.291 -8.110 1.00 25.13 H new ATOM 0 HD3 ARG A 13 -11.755 2.457 -6.950 1.00 25.13 H new ATOM 0 HE ARG A 13 -11.809 4.034 -9.101 1.00 41.13 H new ATOM 0 HH11 ARG A 13 -14.214 1.591 -8.122 1.00 14.32 H new ATOM 0 HH12 ARG A 13 -15.557 2.468 -8.862 1.00 14.32 H new ATOM 0 HH21 ARG A 13 -13.541 5.132 -10.006 1.00 13.33 H new ATOM 0 HH22 ARG A 13 -15.174 4.462 -9.922 1.00 13.33 H new ATOM 238 N VAL A 14 -10.801 -1.196 -12.163 1.00 14.14 N ATOM 239 CA VAL A 14 -11.041 -1.666 -13.509 1.00 13.30 C ATOM 240 C VAL A 14 -12.289 -2.571 -13.503 1.00 20.00 C ATOM 241 O VAL A 14 -13.242 -2.345 -14.239 1.00 4.34 O ATOM 242 CB VAL A 14 -9.812 -2.474 -14.055 1.00 73.53 C ATOM 243 CG1 VAL A 14 -10.108 -3.136 -15.393 1.00 24.52 C ATOM 244 CG2 VAL A 14 -8.601 -1.572 -14.197 1.00 2.30 C ATOM 0 H VAL A 14 -10.251 -1.839 -11.594 1.00 14.14 H new ATOM 0 HA VAL A 14 -11.196 -0.805 -14.159 1.00 13.30 H new ATOM 0 HB VAL A 14 -9.603 -3.259 -13.328 1.00 73.53 H new ATOM 0 HG11 VAL A 14 -9.228 -3.683 -15.731 1.00 24.52 H new ATOM 0 HG12 VAL A 14 -10.944 -3.827 -15.280 1.00 24.52 H new ATOM 0 HG13 VAL A 14 -10.364 -2.373 -16.128 1.00 24.52 H new ATOM 0 HG21 VAL A 14 -7.759 -2.151 -14.577 1.00 2.30 H new ATOM 0 HG22 VAL A 14 -8.829 -0.764 -14.892 1.00 2.30 H new ATOM 0 HG23 VAL A 14 -8.344 -1.153 -13.224 1.00 2.30 H new ATOM 254 N LEU A 15 -12.290 -3.551 -12.616 1.00 31.32 N ATOM 255 CA LEU A 15 -13.332 -4.579 -12.574 1.00 61.10 C ATOM 256 C LEU A 15 -14.711 -4.066 -12.200 1.00 0.40 C ATOM 257 O LEU A 15 -15.713 -4.544 -12.730 1.00 0.24 O ATOM 258 CB LEU A 15 -12.931 -5.746 -11.677 1.00 43.21 C ATOM 259 CG LEU A 15 -11.620 -6.451 -12.018 1.00 14.35 C ATOM 260 CD1 LEU A 15 -11.355 -7.574 -11.037 1.00 5.12 C ATOM 261 CD2 LEU A 15 -11.639 -6.979 -13.442 1.00 24.33 C ATOM 0 H LEU A 15 -11.571 -3.662 -11.901 1.00 31.32 H new ATOM 0 HA LEU A 15 -13.416 -4.930 -13.602 1.00 61.10 H new ATOM 0 HB2 LEU A 15 -12.865 -5.381 -10.652 1.00 43.21 H new ATOM 0 HB3 LEU A 15 -13.732 -6.485 -11.701 1.00 43.21 H new ATOM 0 HG LEU A 15 -10.812 -5.723 -11.941 1.00 14.35 H new ATOM 0 HD11 LEU A 15 -10.417 -8.067 -11.293 1.00 5.12 H new ATOM 0 HD12 LEU A 15 -11.287 -7.167 -10.028 1.00 5.12 H new ATOM 0 HD13 LEU A 15 -12.169 -8.297 -11.083 1.00 5.12 H new ATOM 0 HD21 LEU A 15 -10.693 -7.476 -13.658 1.00 24.33 H new ATOM 0 HD22 LEU A 15 -12.457 -7.690 -13.555 1.00 24.33 H new ATOM 0 HD23 LEU A 15 -11.780 -6.150 -14.136 1.00 24.33 H new ATOM 273 N ARG A 16 -14.778 -3.127 -11.315 1.00 30.15 N ATOM 274 CA ARG A 16 -16.075 -2.596 -10.929 1.00 12.33 C ATOM 275 C ARG A 16 -16.700 -1.712 -12.033 1.00 33.24 C ATOM 276 O ARG A 16 -17.707 -2.108 -12.649 1.00 71.41 O ATOM 277 CB ARG A 16 -16.076 -1.863 -9.562 1.00 15.35 C ATOM 278 CG ARG A 16 -15.994 -2.731 -8.307 1.00 31.53 C ATOM 279 CD ARG A 16 -14.698 -3.477 -8.148 1.00 33.21 C ATOM 280 NE ARG A 16 -14.556 -3.959 -6.777 1.00 11.24 N ATOM 281 CZ ARG A 16 -14.136 -5.158 -6.404 1.00 2.50 C ATOM 282 NH1 ARG A 16 -14.006 -6.137 -7.286 1.00 50.43 N ATOM 283 NH2 ARG A 16 -13.911 -5.396 -5.131 1.00 34.21 N ATOM 0 H ARG A 16 -13.976 -2.708 -10.844 1.00 30.15 H new ATOM 0 HA ARG A 16 -16.706 -3.475 -10.802 1.00 12.33 H new ATOM 0 HB2 ARG A 16 -15.235 -1.170 -9.549 1.00 15.35 H new ATOM 0 HB3 ARG A 16 -16.984 -1.264 -9.500 1.00 15.35 H new ATOM 0 HG2 ARG A 16 -16.144 -2.098 -7.432 1.00 31.53 H new ATOM 0 HG3 ARG A 16 -16.813 -3.450 -8.324 1.00 31.53 H new ATOM 0 HD2 ARG A 16 -14.667 -4.318 -8.841 1.00 33.21 H new ATOM 0 HD3 ARG A 16 -13.862 -2.825 -8.400 1.00 33.21 H new ATOM 0 HE ARG A 16 -14.805 -3.307 -6.033 1.00 11.24 H new ATOM 0 HH11 ARG A 16 -14.231 -5.973 -8.267 1.00 50.43 H new ATOM 0 HH12 ARG A 16 -13.681 -7.056 -6.984 1.00 50.43 H new ATOM 0 HH21 ARG A 16 -14.060 -4.660 -4.440 1.00 34.21 H new ATOM 0 HH22 ARG A 16 -13.587 -6.316 -4.834 1.00 34.21 H new ATOM 297 N PRO A 17 -16.073 -0.557 -12.394 1.00 65.32 N ATOM 298 CA PRO A 17 -16.695 0.402 -13.278 1.00 75.42 C ATOM 299 C PRO A 17 -16.759 -0.090 -14.687 1.00 32.43 C ATOM 300 O PRO A 17 -17.730 0.157 -15.380 1.00 33.14 O ATOM 301 CB PRO A 17 -15.797 1.650 -13.183 1.00 31.13 C ATOM 302 CG PRO A 17 -14.847 1.352 -12.080 1.00 4.23 C ATOM 303 CD PRO A 17 -14.717 -0.133 -12.072 1.00 62.24 C ATOM 0 HA PRO A 17 -17.728 0.597 -12.991 1.00 75.42 H new ATOM 0 HB2 PRO A 17 -15.271 1.831 -14.120 1.00 31.13 H new ATOM 0 HB3 PRO A 17 -16.383 2.544 -12.969 1.00 31.13 H new ATOM 0 HG2 PRO A 17 -13.883 1.831 -12.249 1.00 4.23 H new ATOM 0 HG3 PRO A 17 -15.223 1.720 -11.125 1.00 4.23 H new ATOM 0 HD2 PRO A 17 -13.994 -0.483 -12.809 1.00 62.24 H new ATOM 0 HD3 PRO A 17 -14.391 -0.509 -11.102 1.00 62.24 H new ATOM 311 N LEU A 18 -15.779 -0.862 -15.113 1.00 32.54 N ATOM 312 CA LEU A 18 -15.781 -1.259 -16.475 1.00 52.23 C ATOM 313 C LEU A 18 -16.736 -2.335 -16.739 1.00 31.22 C ATOM 314 O LEU A 18 -17.132 -2.508 -17.852 1.00 44.04 O ATOM 315 CB LEU A 18 -14.461 -1.654 -16.962 1.00 40.11 C ATOM 316 CG LEU A 18 -13.398 -0.571 -16.955 1.00 53.41 C ATOM 317 CD1 LEU A 18 -12.144 -1.109 -17.536 1.00 62.34 C ATOM 318 CD2 LEU A 18 -13.856 0.667 -17.707 1.00 30.54 C ATOM 0 H LEU A 18 -15.004 -1.208 -14.547 1.00 32.54 H new ATOM 0 HA LEU A 18 -16.090 -0.368 -17.022 1.00 52.23 H new ATOM 0 HB2 LEU A 18 -14.106 -2.487 -16.356 1.00 40.11 H new ATOM 0 HB3 LEU A 18 -14.568 -2.024 -17.982 1.00 40.11 H new ATOM 0 HG LEU A 18 -13.217 -0.268 -15.924 1.00 53.41 H new ATOM 0 HD11 LEU A 18 -11.379 -0.333 -17.532 1.00 62.34 H new ATOM 0 HD12 LEU A 18 -11.803 -1.958 -16.943 1.00 62.34 H new ATOM 0 HD13 LEU A 18 -12.327 -1.433 -18.561 1.00 62.34 H new ATOM 0 HD21 LEU A 18 -13.069 1.421 -17.681 1.00 30.54 H new ATOM 0 HD22 LEU A 18 -14.072 0.404 -18.743 1.00 30.54 H new ATOM 0 HD23 LEU A 18 -14.756 1.065 -17.238 1.00 30.54 H new ATOM 330 N LYS A 19 -17.118 -3.071 -15.730 1.00 31.00 N ATOM 331 CA LYS A 19 -18.115 -4.086 -15.938 1.00 12.14 C ATOM 332 C LYS A 19 -19.469 -3.505 -15.863 1.00 12.04 C ATOM 333 O LYS A 19 -20.434 -4.075 -16.343 1.00 72.30 O ATOM 334 CB LYS A 19 -17.915 -5.342 -15.116 1.00 62.22 C ATOM 335 CG LYS A 19 -16.832 -6.283 -15.657 1.00 31.21 C ATOM 336 CD LYS A 19 -15.433 -5.663 -15.672 1.00 10.52 C ATOM 337 CE LYS A 19 -14.380 -6.622 -16.221 1.00 24.24 C ATOM 338 NZ LYS A 19 -14.639 -7.000 -17.631 1.00 12.24 N ATOM 0 H LYS A 19 -16.764 -2.991 -14.777 1.00 31.00 H new ATOM 0 HA LYS A 19 -17.988 -4.458 -16.955 1.00 12.14 H new ATOM 0 HB2 LYS A 19 -17.657 -5.058 -14.096 1.00 62.22 H new ATOM 0 HB3 LYS A 19 -18.859 -5.884 -15.066 1.00 62.22 H new ATOM 0 HG2 LYS A 19 -16.813 -7.188 -15.050 1.00 31.21 H new ATOM 0 HG3 LYS A 19 -17.098 -6.584 -16.670 1.00 31.21 H new ATOM 0 HD2 LYS A 19 -15.446 -4.756 -16.277 1.00 10.52 H new ATOM 0 HD3 LYS A 19 -15.159 -5.366 -14.660 1.00 10.52 H new ATOM 0 HE2 LYS A 19 -13.396 -6.158 -16.147 1.00 24.24 H new ATOM 0 HE3 LYS A 19 -14.355 -7.521 -15.605 1.00 24.24 H new ATOM 0 HZ1 LYS A 19 -14.780 -8.028 -17.694 1.00 12.24 H new ATOM 0 HZ2 LYS A 19 -15.493 -6.512 -17.970 1.00 12.24 H new ATOM 0 HZ3 LYS A 19 -13.826 -6.725 -18.219 1.00 12.24 H new ATOM 352 N THR A 20 -19.521 -2.349 -15.301 1.00 20.23 N ATOM 353 CA THR A 20 -20.680 -1.548 -15.388 1.00 74.21 C ATOM 354 C THR A 20 -20.888 -1.127 -16.883 1.00 54.31 C ATOM 355 O THR A 20 -22.013 -1.040 -17.364 1.00 42.31 O ATOM 356 CB THR A 20 -20.538 -0.330 -14.493 1.00 41.55 C ATOM 357 OG1 THR A 20 -20.253 -0.765 -13.149 1.00 21.44 O ATOM 358 CG2 THR A 20 -21.804 0.447 -14.512 1.00 73.31 C ATOM 0 H THR A 20 -18.756 -1.935 -14.768 1.00 20.23 H new ATOM 0 HA THR A 20 -21.551 -2.109 -15.050 1.00 74.21 H new ATOM 0 HB THR A 20 -19.725 0.301 -14.852 1.00 41.55 H new ATOM 0 HG1 THR A 20 -19.332 -1.096 -13.101 1.00 21.44 H new ATOM 0 HG21 THR A 20 -21.704 1.322 -13.870 1.00 73.31 H new ATOM 0 HG22 THR A 20 -22.019 0.768 -15.531 1.00 73.31 H new ATOM 0 HG23 THR A 20 -22.620 -0.178 -14.149 1.00 73.31 H new ATOM 366 N ILE A 21 -19.783 -0.875 -17.605 1.00 54.33 N ATOM 367 CA ILE A 21 -19.859 -0.646 -19.052 1.00 5.54 C ATOM 368 C ILE A 21 -20.100 -1.960 -19.762 1.00 12.32 C ATOM 369 O ILE A 21 -21.077 -2.105 -20.493 1.00 55.45 O ATOM 370 CB ILE A 21 -18.583 0.068 -19.667 1.00 23.11 C ATOM 371 CG1 ILE A 21 -18.491 1.537 -19.258 1.00 63.44 C ATOM 372 CG2 ILE A 21 -18.531 -0.039 -21.193 1.00 63.11 C ATOM 373 CD1 ILE A 21 -18.189 1.762 -17.824 1.00 10.42 C ATOM 0 H ILE A 21 -18.842 -0.826 -17.215 1.00 54.33 H new ATOM 0 HA ILE A 21 -20.692 0.040 -19.207 1.00 5.54 H new ATOM 0 HB ILE A 21 -17.726 -0.465 -19.255 1.00 23.11 H new ATOM 0 HG12 ILE A 21 -17.720 2.020 -19.858 1.00 63.44 H new ATOM 0 HG13 ILE A 21 -19.435 2.027 -19.498 1.00 63.44 H new ATOM 0 HG21 ILE A 21 -17.639 0.466 -21.563 1.00 63.11 H new ATOM 0 HG22 ILE A 21 -18.500 -1.089 -21.483 1.00 63.11 H new ATOM 0 HG23 ILE A 21 -19.417 0.430 -21.621 1.00 63.11 H new ATOM 0 HD11 ILE A 21 -18.143 2.833 -17.626 1.00 10.42 H new ATOM 0 HD12 ILE A 21 -18.972 1.313 -17.213 1.00 10.42 H new ATOM 0 HD13 ILE A 21 -17.230 1.306 -17.578 1.00 10.42 H new ATOM 385 N LYS A 22 -19.209 -2.908 -19.519 1.00 65.01 N ATOM 386 CA LYS A 22 -19.261 -4.256 -20.145 1.00 23.11 C ATOM 387 C LYS A 22 -20.600 -4.996 -20.010 1.00 12.12 C ATOM 388 O LYS A 22 -20.930 -5.781 -20.872 1.00 32.24 O ATOM 389 CB LYS A 22 -18.120 -5.170 -19.681 1.00 32.12 C ATOM 390 CG LYS A 22 -16.727 -4.675 -20.030 1.00 64.50 C ATOM 391 CD LYS A 22 -16.552 -4.514 -21.524 1.00 45.35 C ATOM 392 CE LYS A 22 -15.123 -4.137 -21.883 1.00 10.14 C ATOM 393 NZ LYS A 22 -14.950 -4.007 -23.340 1.00 0.51 N ATOM 0 H LYS A 22 -18.421 -2.782 -18.884 1.00 65.01 H new ATOM 0 HA LYS A 22 -19.140 -4.032 -21.205 1.00 23.11 H new ATOM 0 HB2 LYS A 22 -18.187 -5.292 -18.600 1.00 32.12 H new ATOM 0 HB3 LYS A 22 -18.261 -6.157 -20.122 1.00 32.12 H new ATOM 0 HG2 LYS A 22 -16.545 -3.720 -19.537 1.00 64.50 H new ATOM 0 HG3 LYS A 22 -15.985 -5.377 -19.650 1.00 64.50 H new ATOM 0 HD2 LYS A 22 -16.820 -5.444 -22.025 1.00 45.35 H new ATOM 0 HD3 LYS A 22 -17.234 -3.747 -21.890 1.00 45.35 H new ATOM 0 HE2 LYS A 22 -14.861 -3.196 -21.399 1.00 10.14 H new ATOM 0 HE3 LYS A 22 -14.439 -4.894 -21.500 1.00 10.14 H new ATOM 0 HZ1 LYS A 22 -13.965 -3.749 -23.551 1.00 0.51 H new ATOM 0 HZ2 LYS A 22 -15.177 -4.912 -23.799 1.00 0.51 H new ATOM 0 HZ3 LYS A 22 -15.586 -3.267 -23.700 1.00 0.51 H new ATOM 407 N ARG A 23 -21.385 -4.723 -18.969 1.00 34.42 N ATOM 408 CA ARG A 23 -22.686 -5.422 -18.793 1.00 54.42 C ATOM 409 C ARG A 23 -23.677 -5.058 -19.899 1.00 21.41 C ATOM 410 O ARG A 23 -24.725 -5.685 -20.044 1.00 40.25 O ATOM 411 CB ARG A 23 -23.331 -5.133 -17.425 1.00 14.23 C ATOM 412 CG ARG A 23 -23.597 -3.661 -17.172 1.00 62.03 C ATOM 413 CD ARG A 23 -24.395 -3.422 -15.903 1.00 13.00 C ATOM 414 NE ARG A 23 -25.798 -3.857 -16.036 1.00 70.45 N ATOM 415 CZ ARG A 23 -26.810 -3.422 -15.266 1.00 44.24 C ATOM 416 NH1 ARG A 23 -26.578 -2.592 -14.254 1.00 33.10 N ATOM 417 NH2 ARG A 23 -28.054 -3.832 -15.508 1.00 22.32 N ATOM 0 H ARG A 23 -21.163 -4.042 -18.243 1.00 34.42 H new ATOM 0 HA ARG A 23 -22.457 -6.486 -18.849 1.00 54.42 H new ATOM 0 HB2 ARG A 23 -24.271 -5.680 -17.354 1.00 14.23 H new ATOM 0 HB3 ARG A 23 -22.680 -5.515 -16.639 1.00 14.23 H new ATOM 0 HG2 ARG A 23 -22.647 -3.130 -17.105 1.00 62.03 H new ATOM 0 HG3 ARG A 23 -24.137 -3.242 -18.021 1.00 62.03 H new ATOM 0 HD2 ARG A 23 -23.928 -3.957 -15.076 1.00 13.00 H new ATOM 0 HD3 ARG A 23 -24.368 -2.361 -15.653 1.00 13.00 H new ATOM 0 HE ARG A 23 -26.016 -4.537 -16.765 1.00 70.45 H new ATOM 0 HH11 ARG A 23 -25.627 -2.281 -14.057 1.00 33.10 H new ATOM 0 HH12 ARG A 23 -27.351 -2.266 -13.674 1.00 33.10 H new ATOM 0 HH21 ARG A 23 -28.238 -4.476 -16.277 1.00 22.32 H new ATOM 0 HH22 ARG A 23 -28.822 -3.502 -14.924 1.00 22.32 H new ATOM 431 N LEU A 24 -23.361 -4.045 -20.658 1.00 71.43 N ATOM 432 CA LEU A 24 -24.220 -3.623 -21.718 1.00 51.03 C ATOM 433 C LEU A 24 -23.888 -4.333 -23.058 1.00 53.24 C ATOM 434 O LEU A 24 -24.767 -4.975 -23.622 1.00 32.53 O ATOM 435 CB LEU A 24 -24.254 -2.094 -21.828 1.00 5.25 C ATOM 436 CG LEU A 24 -24.658 -1.358 -20.540 1.00 13.42 C ATOM 437 CD1 LEU A 24 -24.586 0.137 -20.731 1.00 40.44 C ATOM 438 CD2 LEU A 24 -26.051 -1.772 -20.082 1.00 4.45 C ATOM 0 H LEU A 24 -22.507 -3.496 -20.557 1.00 71.43 H new ATOM 0 HA LEU A 24 -25.235 -3.936 -21.471 1.00 51.03 H new ATOM 0 HB2 LEU A 24 -23.268 -1.745 -22.134 1.00 5.25 H new ATOM 0 HB3 LEU A 24 -24.950 -1.817 -22.620 1.00 5.25 H new ATOM 0 HG LEU A 24 -23.950 -1.640 -19.761 1.00 13.42 H new ATOM 0 HD11 LEU A 24 -24.876 0.636 -19.807 1.00 40.44 H new ATOM 0 HD12 LEU A 24 -23.567 0.422 -20.993 1.00 40.44 H new ATOM 0 HD13 LEU A 24 -25.263 0.434 -21.532 1.00 40.44 H new ATOM 0 HD21 LEU A 24 -26.308 -1.235 -19.169 1.00 4.45 H new ATOM 0 HD22 LEU A 24 -26.776 -1.533 -20.860 1.00 4.45 H new ATOM 0 HD23 LEU A 24 -26.067 -2.845 -19.888 1.00 4.45 H new ATOM 450 N PRO A 25 -22.617 -4.291 -23.595 1.00 31.31 N ATOM 451 CA PRO A 25 -22.290 -4.961 -24.855 1.00 25.42 C ATOM 452 C PRO A 25 -21.922 -6.429 -24.667 1.00 62.22 C ATOM 453 O PRO A 25 -21.583 -7.147 -25.623 1.00 20.13 O ATOM 454 CB PRO A 25 -21.107 -4.159 -25.402 1.00 55.30 C ATOM 455 CG PRO A 25 -20.816 -3.107 -24.369 1.00 41.54 C ATOM 456 CD PRO A 25 -21.439 -3.586 -23.102 1.00 31.24 C ATOM 0 HA PRO A 25 -23.144 -4.982 -25.532 1.00 25.42 H new ATOM 0 HB2 PRO A 25 -20.240 -4.800 -25.563 1.00 55.30 H new ATOM 0 HB3 PRO A 25 -21.352 -3.707 -26.363 1.00 55.30 H new ATOM 0 HG2 PRO A 25 -19.742 -2.968 -24.247 1.00 41.54 H new ATOM 0 HG3 PRO A 25 -21.230 -2.144 -24.667 1.00 41.54 H new ATOM 0 HD2 PRO A 25 -20.774 -4.244 -22.543 1.00 31.24 H new ATOM 0 HD3 PRO A 25 -21.704 -2.762 -22.440 1.00 31.24 H new ATOM 464 N LYS A 26 -21.979 -6.839 -23.461 1.00 75.40 N ATOM 465 CA LYS A 26 -21.743 -8.180 -23.059 1.00 20.13 C ATOM 466 C LYS A 26 -22.860 -8.604 -22.131 1.00 20.13 C ATOM 467 O LYS A 26 -23.125 -7.960 -21.119 1.00 50.15 O ATOM 468 CB LYS A 26 -20.344 -8.315 -22.405 1.00 32.34 C ATOM 469 CG LYS A 26 -20.137 -9.548 -21.537 1.00 61.33 C ATOM 470 CD LYS A 26 -20.330 -10.858 -22.289 1.00 4.41 C ATOM 471 CE LYS A 26 -20.201 -12.038 -21.342 1.00 12.14 C ATOM 472 NZ LYS A 26 -20.577 -13.314 -21.980 1.00 73.40 N ATOM 0 H LYS A 26 -22.203 -6.221 -22.681 1.00 75.40 H new ATOM 0 HA LYS A 26 -21.741 -8.844 -23.924 1.00 20.13 H new ATOM 0 HB2 LYS A 26 -19.593 -8.319 -23.195 1.00 32.34 H new ATOM 0 HB3 LYS A 26 -20.161 -7.430 -21.796 1.00 32.34 H new ATOM 0 HG2 LYS A 26 -19.131 -9.523 -21.118 1.00 61.33 H new ATOM 0 HG3 LYS A 26 -20.832 -9.513 -20.698 1.00 61.33 H new ATOM 0 HD2 LYS A 26 -21.311 -10.871 -22.764 1.00 4.41 H new ATOM 0 HD3 LYS A 26 -19.590 -10.940 -23.085 1.00 4.41 H new ATOM 0 HE2 LYS A 26 -19.173 -12.103 -20.984 1.00 12.14 H new ATOM 0 HE3 LYS A 26 -20.833 -11.871 -20.469 1.00 12.14 H new ATOM 0 HZ1 LYS A 26 -20.473 -14.089 -21.294 1.00 73.40 H new ATOM 0 HZ2 LYS A 26 -21.566 -13.265 -22.299 1.00 73.40 H new ATOM 0 HZ3 LYS A 26 -19.958 -13.489 -22.797 1.00 73.40 H new ATOM 486 N LEU A 27 -23.539 -9.652 -22.507 1.00 75.44 N ATOM 487 CA LEU A 27 -24.613 -10.180 -21.711 1.00 24.22 C ATOM 488 C LEU A 27 -24.013 -10.880 -20.504 1.00 43.42 C ATOM 489 O LEU A 27 -23.334 -11.901 -20.638 1.00 65.43 O ATOM 490 CB LEU A 27 -25.520 -11.147 -22.526 1.00 15.05 C ATOM 491 CG LEU A 27 -26.351 -10.553 -23.706 1.00 51.41 C ATOM 492 CD1 LEU A 27 -25.476 -10.044 -24.849 1.00 71.50 C ATOM 493 CD2 LEU A 27 -27.341 -11.579 -24.228 1.00 43.04 C ATOM 0 H LEU A 27 -23.364 -10.164 -23.372 1.00 75.44 H new ATOM 0 HA LEU A 27 -25.254 -9.360 -21.387 1.00 24.22 H new ATOM 0 HB2 LEU A 27 -24.888 -11.938 -22.928 1.00 15.05 H new ATOM 0 HB3 LEU A 27 -26.216 -11.617 -21.831 1.00 15.05 H new ATOM 0 HG LEU A 27 -26.890 -9.694 -23.306 1.00 51.41 H new ATOM 0 HD11 LEU A 27 -26.109 -9.643 -25.641 1.00 71.50 H new ATOM 0 HD12 LEU A 27 -24.815 -9.260 -24.480 1.00 71.50 H new ATOM 0 HD13 LEU A 27 -24.879 -10.866 -25.244 1.00 71.50 H new ATOM 0 HD21 LEU A 27 -27.912 -11.148 -25.050 1.00 43.04 H new ATOM 0 HD22 LEU A 27 -26.802 -12.458 -24.582 1.00 43.04 H new ATOM 0 HD23 LEU A 27 -28.021 -11.869 -23.427 1.00 43.04 H new ATOM 505 N LYS A 28 -24.191 -10.296 -19.354 1.00 44.55 N ATOM 506 CA LYS A 28 -23.640 -10.836 -18.146 1.00 31.51 C ATOM 507 C LYS A 28 -24.671 -11.735 -17.492 1.00 61.13 C ATOM 508 O LYS A 28 -24.724 -12.928 -17.823 1.00 4.13 O ATOM 509 CB LYS A 28 -23.210 -9.692 -17.201 1.00 51.23 C ATOM 510 CG LYS A 28 -22.540 -10.148 -15.905 1.00 22.34 C ATOM 511 CD LYS A 28 -21.252 -10.895 -16.182 1.00 12.25 C ATOM 512 CE LYS A 28 -20.605 -11.382 -14.904 1.00 14.24 C ATOM 513 NZ LYS A 28 -19.330 -12.073 -15.170 1.00 3.30 N ATOM 514 OXT LYS A 28 -25.461 -11.247 -16.667 1.00 0.00 O ATOM 0 H LYS A 28 -24.721 -9.434 -19.228 1.00 44.55 H new ATOM 0 HA LYS A 28 -22.753 -11.428 -18.372 1.00 31.51 H new ATOM 0 HB2 LYS A 28 -22.524 -9.036 -17.737 1.00 51.23 H new ATOM 0 HB3 LYS A 28 -24.089 -9.098 -16.950 1.00 51.23 H new ATOM 0 HG2 LYS A 28 -22.332 -9.282 -15.277 1.00 22.34 H new ATOM 0 HG3 LYS A 28 -23.222 -10.790 -15.347 1.00 22.34 H new ATOM 0 HD2 LYS A 28 -21.456 -11.744 -16.834 1.00 12.25 H new ATOM 0 HD3 LYS A 28 -20.560 -10.243 -16.715 1.00 12.25 H new ATOM 0 HE2 LYS A 28 -20.429 -10.536 -14.239 1.00 14.24 H new ATOM 0 HE3 LYS A 28 -21.285 -12.058 -14.386 1.00 14.24 H new ATOM 0 HZ1 LYS A 28 -18.915 -12.393 -14.272 1.00 3.30 H new ATOM 0 HZ2 LYS A 28 -19.502 -12.894 -15.784 1.00 3.30 H new ATOM 0 HZ3 LYS A 28 -18.673 -11.419 -15.642 1.00 3.30 H new TER 528 LYS A 28