USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=7 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 Single : A 1 LYS N :NH3+ -131:sc= 0.204 (180deg=-0.161) USER MOD Single : A 1 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.138) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 5 THR OG1 : rot 3:sc= 1.33 USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0867) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 82:sc= 1.25 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+ 164:sc= 1.22 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.178 -0.981 0.261 1.00 0.24 N ATOM 2 CA LYS A 1 3.000 -1.756 -0.107 1.00 33.43 C ATOM 3 C LYS A 1 3.472 -3.014 -0.786 1.00 71.24 C ATOM 4 O LYS A 1 4.637 -3.377 -0.658 1.00 54.34 O ATOM 5 CB LYS A 1 2.089 -0.948 -1.047 1.00 73.11 C ATOM 6 CG LYS A 1 1.570 0.346 -0.454 1.00 5.42 C ATOM 7 CD LYS A 1 0.697 1.111 -1.441 1.00 75.22 C ATOM 8 CE LYS A 1 -0.591 0.367 -1.788 1.00 53.20 C ATOM 9 NZ LYS A 1 -1.460 0.174 -0.608 1.00 10.10 N ATOM 0 H1 LYS A 1 4.103 -0.686 1.256 1.00 0.24 H new ATOM 0 H2 LYS A 1 5.030 -1.564 0.136 1.00 0.24 H new ATOM 0 H3 LYS A 1 4.243 -0.139 -0.346 1.00 0.24 H new ATOM 0 HA LYS A 1 2.418 -1.999 0.782 1.00 33.43 H new ATOM 0 HB2 LYS A 1 2.639 -0.720 -1.960 1.00 73.11 H new ATOM 0 HB3 LYS A 1 1.240 -1.569 -1.333 1.00 73.11 H new ATOM 0 HG2 LYS A 1 0.996 0.128 0.446 1.00 5.42 H new ATOM 0 HG3 LYS A 1 2.411 0.971 -0.153 1.00 5.42 H new ATOM 0 HD2 LYS A 1 0.447 2.085 -1.020 1.00 75.22 H new ATOM 0 HD3 LYS A 1 1.263 1.294 -2.354 1.00 75.22 H new ATOM 0 HE2 LYS A 1 -1.136 0.923 -2.551 1.00 53.20 H new ATOM 0 HE3 LYS A 1 -0.343 -0.604 -2.217 1.00 53.20 H new ATOM 0 HZ1 LYS A 1 -2.394 -0.163 -0.916 1.00 10.10 H new ATOM 0 HZ2 LYS A 1 -1.031 -0.528 0.028 1.00 10.10 H new ATOM 0 HZ3 LYS A 1 -1.567 1.078 -0.104 1.00 10.10 H new ATOM 25 N ASP A 2 2.608 -3.669 -1.501 1.00 25.54 N ATOM 26 CA ASP A 2 2.973 -4.887 -2.187 1.00 44.11 C ATOM 27 C ASP A 2 2.557 -4.735 -3.625 1.00 31.34 C ATOM 28 O ASP A 2 1.673 -3.934 -3.919 1.00 22.54 O ATOM 29 CB ASP A 2 2.281 -6.108 -1.546 1.00 72.33 C ATOM 30 CG ASP A 2 2.749 -7.433 -2.129 1.00 22.45 C ATOM 31 OD1 ASP A 2 2.188 -7.889 -3.131 1.00 10.05 O ATOM 32 OD2 ASP A 2 3.712 -8.032 -1.593 1.00 31.33 O ATOM 0 H ASP A 2 1.637 -3.384 -1.629 1.00 25.54 H new ATOM 0 HA ASP A 2 4.048 -5.055 -2.115 1.00 44.11 H new ATOM 0 HB2 ASP A 2 2.470 -6.103 -0.473 1.00 72.33 H new ATOM 0 HB3 ASP A 2 1.203 -6.019 -1.680 1.00 72.33 H new ATOM 37 N ILE A 3 3.154 -5.494 -4.506 1.00 42.12 N ATOM 38 CA ILE A 3 2.855 -5.405 -5.925 1.00 21.44 C ATOM 39 C ILE A 3 1.415 -5.848 -6.152 1.00 43.44 C ATOM 40 O ILE A 3 0.706 -5.322 -7.019 1.00 10.44 O ATOM 41 CB ILE A 3 3.836 -6.260 -6.823 1.00 53.13 C ATOM 42 CG1 ILE A 3 5.310 -5.786 -6.717 1.00 11.52 C ATOM 43 CG2 ILE A 3 3.401 -6.228 -8.289 1.00 24.30 C ATOM 44 CD1 ILE A 3 5.993 -6.042 -5.387 1.00 24.32 C ATOM 0 H ILE A 3 3.860 -6.191 -4.269 1.00 42.12 H new ATOM 0 HA ILE A 3 2.993 -4.367 -6.227 1.00 21.44 H new ATOM 0 HB ILE A 3 3.783 -7.281 -6.444 1.00 53.13 H new ATOM 0 HG12 ILE A 3 5.887 -6.277 -7.500 1.00 11.52 H new ATOM 0 HG13 ILE A 3 5.343 -4.716 -6.921 1.00 11.52 H new ATOM 0 HG21 ILE A 3 4.091 -6.823 -8.886 1.00 24.30 H new ATOM 0 HG22 ILE A 3 2.396 -6.639 -8.379 1.00 24.30 H new ATOM 0 HG23 ILE A 3 3.406 -5.199 -8.647 1.00 24.30 H new ATOM 0 HD11 ILE A 3 7.017 -5.671 -5.426 1.00 24.32 H new ATOM 0 HD12 ILE A 3 5.451 -5.527 -4.594 1.00 24.32 H new ATOM 0 HD13 ILE A 3 6.003 -7.113 -5.183 1.00 24.32 H new ATOM 56 N ASN A 4 0.963 -6.766 -5.323 1.00 23.44 N ATOM 57 CA ASN A 4 -0.398 -7.234 -5.412 1.00 42.22 C ATOM 58 C ASN A 4 -1.389 -6.164 -4.977 1.00 71.13 C ATOM 59 O ASN A 4 -2.443 -6.006 -5.589 1.00 63.52 O ATOM 60 CB ASN A 4 -0.630 -8.550 -4.668 1.00 21.01 C ATOM 61 CG ASN A 4 -2.091 -8.931 -4.683 1.00 22.13 C ATOM 62 OD1 ASN A 4 -2.829 -8.658 -3.733 1.00 53.01 O ATOM 63 ND2 ASN A 4 -2.526 -9.507 -5.757 1.00 4.44 N ATOM 0 H ASN A 4 1.518 -7.199 -4.585 1.00 23.44 H new ATOM 0 HA ASN A 4 -0.576 -7.445 -6.466 1.00 42.22 H new ATOM 0 HB2 ASN A 4 -0.040 -9.342 -5.129 1.00 21.01 H new ATOM 0 HB3 ASN A 4 -0.286 -8.455 -3.638 1.00 21.01 H new ATOM 0 HD21 ASN A 4 -3.513 -9.752 -5.840 1.00 4.44 H new ATOM 0 HD22 ASN A 4 -1.882 -9.716 -6.520 1.00 4.44 H new ATOM 70 N THR A 5 -1.038 -5.378 -3.976 1.00 62.32 N ATOM 71 CA THR A 5 -1.925 -4.325 -3.556 1.00 53.20 C ATOM 72 C THR A 5 -1.904 -3.176 -4.561 1.00 73.20 C ATOM 73 O THR A 5 -2.836 -2.366 -4.631 1.00 33.11 O ATOM 74 CB THR A 5 -1.666 -3.853 -2.111 1.00 13.22 C ATOM 75 OG1 THR A 5 -0.290 -3.523 -1.917 1.00 54.12 O ATOM 76 CG2 THR A 5 -2.065 -4.937 -1.126 1.00 43.35 C ATOM 0 H THR A 5 -0.165 -5.450 -3.453 1.00 62.32 H new ATOM 0 HA THR A 5 -2.933 -4.738 -3.540 1.00 53.20 H new ATOM 0 HB THR A 5 -2.268 -2.961 -1.939 1.00 13.22 H new ATOM 0 HG1 THR A 5 0.193 -3.623 -2.764 1.00 54.12 H new ATOM 0 HG21 THR A 5 -1.877 -4.592 -0.109 1.00 43.35 H new ATOM 0 HG22 THR A 5 -3.125 -5.163 -1.243 1.00 43.35 H new ATOM 0 HG23 THR A 5 -1.480 -5.836 -1.318 1.00 43.35 H new ATOM 84 N ILE A 6 -0.857 -3.137 -5.370 1.00 43.25 N ATOM 85 CA ILE A 6 -0.790 -2.211 -6.475 1.00 5.43 C ATOM 86 C ILE A 6 -1.694 -2.729 -7.584 1.00 30.12 C ATOM 87 O ILE A 6 -2.316 -1.961 -8.319 1.00 4.13 O ATOM 88 CB ILE A 6 0.668 -2.004 -6.989 1.00 24.44 C ATOM 89 CG1 ILE A 6 1.551 -1.489 -5.849 1.00 34.54 C ATOM 90 CG2 ILE A 6 0.716 -1.038 -8.176 1.00 53.32 C ATOM 91 CD1 ILE A 6 0.993 -0.267 -5.150 1.00 63.00 C ATOM 0 H ILE A 6 -0.041 -3.742 -5.276 1.00 43.25 H new ATOM 0 HA ILE A 6 -1.129 -1.232 -6.137 1.00 5.43 H new ATOM 0 HB ILE A 6 1.045 -2.967 -7.334 1.00 24.44 H new ATOM 0 HG12 ILE A 6 1.685 -2.286 -5.117 1.00 34.54 H new ATOM 0 HG13 ILE A 6 2.538 -1.251 -6.245 1.00 34.54 H new ATOM 0 HG21 ILE A 6 1.748 -0.919 -8.507 1.00 53.32 H new ATOM 0 HG22 ILE A 6 0.117 -1.437 -8.994 1.00 53.32 H new ATOM 0 HG23 ILE A 6 0.318 -0.070 -7.873 1.00 53.32 H new ATOM 0 HD11 ILE A 6 1.673 0.039 -4.355 1.00 63.00 H new ATOM 0 HD12 ILE A 6 0.885 0.546 -5.868 1.00 63.00 H new ATOM 0 HD13 ILE A 6 0.019 -0.505 -4.723 1.00 63.00 H new ATOM 103 N LYS A 7 -1.844 -4.042 -7.655 1.00 4.22 N ATOM 104 CA LYS A 7 -2.744 -4.616 -8.600 1.00 72.24 C ATOM 105 C LYS A 7 -4.162 -4.526 -8.100 1.00 33.24 C ATOM 106 O LYS A 7 -5.081 -4.730 -8.843 1.00 73.45 O ATOM 107 CB LYS A 7 -2.358 -6.039 -9.011 1.00 5.32 C ATOM 108 CG LYS A 7 -1.101 -6.112 -9.873 1.00 52.22 C ATOM 109 CD LYS A 7 -1.267 -5.286 -11.151 1.00 31.20 C ATOM 110 CE LYS A 7 -0.070 -5.409 -12.070 1.00 2.41 C ATOM 111 NZ LYS A 7 0.069 -6.764 -12.636 1.00 12.33 N ATOM 0 H LYS A 7 -1.351 -4.714 -7.067 1.00 4.22 H new ATOM 0 HA LYS A 7 -2.671 -4.028 -9.515 1.00 72.24 H new ATOM 0 HB2 LYS A 7 -2.207 -6.638 -8.113 1.00 5.32 H new ATOM 0 HB3 LYS A 7 -3.188 -6.487 -9.557 1.00 5.32 H new ATOM 0 HG2 LYS A 7 -0.245 -5.745 -9.307 1.00 52.22 H new ATOM 0 HG3 LYS A 7 -0.892 -7.150 -10.131 1.00 52.22 H new ATOM 0 HD2 LYS A 7 -2.163 -5.612 -11.679 1.00 31.20 H new ATOM 0 HD3 LYS A 7 -1.415 -4.239 -10.888 1.00 31.20 H new ATOM 0 HE2 LYS A 7 -0.163 -4.687 -12.882 1.00 2.41 H new ATOM 0 HE3 LYS A 7 0.835 -5.154 -11.519 1.00 2.41 H new ATOM 0 HZ1 LYS A 7 0.805 -6.759 -13.371 1.00 12.33 H new ATOM 0 HZ2 LYS A 7 0.336 -7.429 -11.883 1.00 12.33 H new ATOM 0 HZ3 LYS A 7 -0.836 -7.060 -13.054 1.00 12.33 H new ATOM 125 N SER A 8 -4.329 -4.165 -6.847 1.00 42.41 N ATOM 126 CA SER A 8 -5.653 -3.923 -6.317 1.00 65.20 C ATOM 127 C SER A 8 -6.126 -2.588 -6.889 1.00 42.41 C ATOM 128 O SER A 8 -7.290 -2.412 -7.229 1.00 65.12 O ATOM 129 CB SER A 8 -5.616 -3.903 -4.772 1.00 70.05 C ATOM 130 OG SER A 8 -6.918 -3.840 -4.205 1.00 60.20 O ATOM 0 H SER A 8 -3.569 -4.033 -6.179 1.00 42.41 H new ATOM 0 HA SER A 8 -6.346 -4.715 -6.602 1.00 65.20 H new ATOM 0 HB2 SER A 8 -5.107 -4.797 -4.411 1.00 70.05 H new ATOM 0 HB3 SER A 8 -5.033 -3.046 -4.435 1.00 70.05 H new ATOM 0 HG SER A 8 -6.849 -3.831 -3.227 1.00 60.20 H new ATOM 136 N LEU A 9 -5.176 -1.684 -7.077 1.00 13.41 N ATOM 137 CA LEU A 9 -5.440 -0.370 -7.645 1.00 14.24 C ATOM 138 C LEU A 9 -5.709 -0.516 -9.124 1.00 44.15 C ATOM 139 O LEU A 9 -6.472 0.232 -9.715 1.00 73.00 O ATOM 140 CB LEU A 9 -4.222 0.524 -7.455 1.00 13.11 C ATOM 141 CG LEU A 9 -3.723 0.670 -6.028 1.00 1.34 C ATOM 142 CD1 LEU A 9 -2.466 1.498 -5.995 1.00 62.32 C ATOM 143 CD2 LEU A 9 -4.791 1.290 -5.165 1.00 64.41 C ATOM 0 H LEU A 9 -4.197 -1.842 -6.839 1.00 13.41 H new ATOM 0 HA LEU A 9 -6.302 0.073 -7.146 1.00 14.24 H new ATOM 0 HB2 LEU A 9 -3.409 0.132 -8.066 1.00 13.11 H new ATOM 0 HB3 LEU A 9 -4.460 1.516 -7.840 1.00 13.11 H new ATOM 0 HG LEU A 9 -3.491 -0.319 -5.634 1.00 1.34 H new ATOM 0 HD11 LEU A 9 -2.120 1.594 -4.966 1.00 62.32 H new ATOM 0 HD12 LEU A 9 -1.695 1.013 -6.593 1.00 62.32 H new ATOM 0 HD13 LEU A 9 -2.672 2.488 -6.402 1.00 62.32 H new ATOM 0 HD21 LEU A 9 -4.422 1.390 -4.144 1.00 64.41 H new ATOM 0 HD22 LEU A 9 -5.048 2.275 -5.556 1.00 64.41 H new ATOM 0 HD23 LEU A 9 -5.677 0.655 -5.170 1.00 64.41 H new ATOM 155 N ARG A 10 -5.058 -1.472 -9.707 1.00 72.04 N ATOM 156 CA ARG A 10 -5.206 -1.752 -11.115 1.00 14.15 C ATOM 157 C ARG A 10 -6.478 -2.566 -11.376 1.00 44.34 C ATOM 158 O ARG A 10 -7.465 -2.038 -11.879 1.00 12.01 O ATOM 159 CB ARG A 10 -3.970 -2.501 -11.642 1.00 54.22 C ATOM 160 CG ARG A 10 -3.972 -2.779 -13.146 1.00 63.44 C ATOM 161 CD ARG A 10 -3.914 -1.504 -13.969 1.00 24.20 C ATOM 162 NE ARG A 10 -3.920 -1.803 -15.402 1.00 23.10 N ATOM 163 CZ ARG A 10 -2.838 -1.804 -16.196 1.00 32.24 C ATOM 164 NH1 ARG A 10 -1.622 -1.590 -15.688 1.00 71.02 N ATOM 165 NH2 ARG A 10 -2.973 -2.050 -17.489 1.00 4.22 N ATOM 0 H ARG A 10 -4.404 -2.088 -9.225 1.00 72.04 H new ATOM 0 HA ARG A 10 -5.293 -0.805 -11.647 1.00 14.15 H new ATOM 0 HB2 ARG A 10 -3.081 -1.920 -11.397 1.00 54.22 H new ATOM 0 HB3 ARG A 10 -3.887 -3.450 -11.113 1.00 54.22 H new ATOM 0 HG2 ARG A 10 -3.120 -3.410 -13.398 1.00 63.44 H new ATOM 0 HG3 ARG A 10 -4.870 -3.338 -13.409 1.00 63.44 H new ATOM 0 HD2 ARG A 10 -4.765 -0.869 -13.723 1.00 24.20 H new ATOM 0 HD3 ARG A 10 -3.014 -0.944 -13.715 1.00 24.20 H new ATOM 0 HE ARG A 10 -4.818 -2.028 -15.831 1.00 23.10 H new ATOM 0 HH11 ARG A 10 -1.509 -1.424 -14.688 1.00 71.02 H new ATOM 0 HH12 ARG A 10 -0.806 -1.593 -16.300 1.00 71.02 H new ATOM 0 HH21 ARG A 10 -3.897 -2.238 -17.879 1.00 4.22 H new ATOM 0 HH22 ARG A 10 -2.153 -2.052 -18.096 1.00 4.22 H new ATOM 179 N VAL A 11 -6.468 -3.813 -10.936 1.00 21.24 N ATOM 180 CA VAL A 11 -7.512 -4.789 -11.226 1.00 64.12 C ATOM 181 C VAL A 11 -8.892 -4.332 -10.753 1.00 11.41 C ATOM 182 O VAL A 11 -9.883 -4.565 -11.432 1.00 13.40 O ATOM 183 CB VAL A 11 -7.158 -6.198 -10.648 1.00 54.21 C ATOM 184 CG1 VAL A 11 -8.241 -7.226 -10.957 1.00 21.12 C ATOM 185 CG2 VAL A 11 -5.816 -6.673 -11.196 1.00 32.44 C ATOM 0 H VAL A 11 -5.718 -4.186 -10.354 1.00 21.24 H new ATOM 0 HA VAL A 11 -7.561 -4.872 -12.312 1.00 64.12 H new ATOM 0 HB VAL A 11 -7.092 -6.100 -9.564 1.00 54.21 H new ATOM 0 HG11 VAL A 11 -7.957 -8.191 -10.538 1.00 21.12 H new ATOM 0 HG12 VAL A 11 -9.185 -6.904 -10.517 1.00 21.12 H new ATOM 0 HG13 VAL A 11 -8.357 -7.319 -12.037 1.00 21.12 H new ATOM 0 HG21 VAL A 11 -5.582 -7.655 -10.785 1.00 32.44 H new ATOM 0 HG22 VAL A 11 -5.869 -6.738 -12.283 1.00 32.44 H new ATOM 0 HG23 VAL A 11 -5.036 -5.966 -10.912 1.00 32.44 H new ATOM 195 N LEU A 12 -8.968 -3.631 -9.633 1.00 53.15 N ATOM 196 CA LEU A 12 -10.277 -3.175 -9.167 1.00 20.12 C ATOM 197 C LEU A 12 -10.774 -2.018 -9.986 1.00 4.50 C ATOM 198 O LEU A 12 -11.975 -1.884 -10.248 1.00 44.43 O ATOM 199 CB LEU A 12 -10.317 -2.907 -7.666 1.00 53.05 C ATOM 200 CG LEU A 12 -10.105 -4.120 -6.760 1.00 72.22 C ATOM 201 CD1 LEU A 12 -10.145 -3.705 -5.298 1.00 34.23 C ATOM 202 CD2 LEU A 12 -11.143 -5.204 -7.038 1.00 54.33 C ATOM 0 H LEU A 12 -8.175 -3.371 -9.046 1.00 53.15 H new ATOM 0 HA LEU A 12 -10.975 -3.998 -9.323 1.00 20.12 H new ATOM 0 HB2 LEU A 12 -9.554 -2.165 -7.430 1.00 53.05 H new ATOM 0 HB3 LEU A 12 -11.282 -2.462 -7.423 1.00 53.05 H new ATOM 0 HG LEU A 12 -9.121 -4.535 -6.978 1.00 72.22 H new ATOM 0 HD11 LEU A 12 -9.992 -4.581 -4.667 1.00 34.23 H new ATOM 0 HD12 LEU A 12 -9.357 -2.977 -5.105 1.00 34.23 H new ATOM 0 HD13 LEU A 12 -11.114 -3.260 -5.073 1.00 34.23 H new ATOM 0 HD21 LEU A 12 -10.967 -6.054 -6.379 1.00 54.33 H new ATOM 0 HD22 LEU A 12 -12.142 -4.806 -6.858 1.00 54.33 H new ATOM 0 HD23 LEU A 12 -11.063 -5.527 -8.076 1.00 54.33 H new ATOM 214 N ARG A 13 -9.843 -1.255 -10.473 1.00 33.32 N ATOM 215 CA ARG A 13 -10.138 -0.154 -11.372 1.00 65.24 C ATOM 216 C ARG A 13 -10.195 -0.654 -12.806 1.00 74.44 C ATOM 217 O ARG A 13 -10.269 0.124 -13.757 1.00 65.42 O ATOM 218 CB ARG A 13 -9.158 1.010 -11.231 1.00 73.44 C ATOM 219 CG ARG A 13 -9.302 1.812 -9.936 1.00 0.21 C ATOM 220 CD ARG A 13 -10.704 2.401 -9.790 1.00 43.00 C ATOM 221 NE ARG A 13 -11.100 3.210 -10.960 1.00 71.20 N ATOM 222 CZ ARG A 13 -12.346 3.661 -11.208 1.00 5.12 C ATOM 223 NH1 ARG A 13 -13.328 3.428 -10.353 1.00 72.13 N ATOM 224 NH2 ARG A 13 -12.597 4.333 -12.323 1.00 13.21 N ATOM 0 H ARG A 13 -8.851 -1.369 -10.264 1.00 33.32 H new ATOM 0 HA ARG A 13 -11.115 0.240 -11.091 1.00 65.24 H new ATOM 0 HB2 ARG A 13 -8.142 0.621 -11.291 1.00 73.44 H new ATOM 0 HB3 ARG A 13 -9.291 1.684 -12.077 1.00 73.44 H new ATOM 0 HG2 ARG A 13 -9.087 1.168 -9.083 1.00 0.21 H new ATOM 0 HG3 ARG A 13 -8.566 2.616 -9.922 1.00 0.21 H new ATOM 0 HD2 ARG A 13 -11.422 1.593 -9.651 1.00 43.00 H new ATOM 0 HD3 ARG A 13 -10.743 3.020 -8.894 1.00 43.00 H new ATOM 0 HE ARG A 13 -10.373 3.447 -11.635 1.00 71.20 H new ATOM 0 HH11 ARG A 13 -13.146 2.903 -9.498 1.00 72.13 H new ATOM 0 HH12 ARG A 13 -14.268 3.773 -10.549 1.00 72.13 H new ATOM 0 HH21 ARG A 13 -11.848 4.508 -12.992 1.00 13.21 H new ATOM 0 HH22 ARG A 13 -13.539 4.675 -12.511 1.00 13.21 H new ATOM 238 N VAL A 14 -10.115 -1.950 -12.951 1.00 5.21 N ATOM 239 CA VAL A 14 -10.372 -2.588 -14.215 1.00 63.20 C ATOM 240 C VAL A 14 -11.758 -3.223 -14.167 1.00 53.04 C ATOM 241 O VAL A 14 -12.650 -2.819 -14.885 1.00 34.35 O ATOM 242 CB VAL A 14 -9.315 -3.672 -14.569 1.00 14.14 C ATOM 243 CG1 VAL A 14 -9.690 -4.390 -15.852 1.00 23.44 C ATOM 244 CG2 VAL A 14 -7.941 -3.058 -14.726 1.00 63.12 C ATOM 0 H VAL A 14 -9.870 -2.593 -12.198 1.00 5.21 H new ATOM 0 HA VAL A 14 -10.315 -1.825 -14.992 1.00 63.20 H new ATOM 0 HB VAL A 14 -9.294 -4.389 -13.748 1.00 14.14 H new ATOM 0 HG11 VAL A 14 -8.937 -5.144 -16.081 1.00 23.44 H new ATOM 0 HG12 VAL A 14 -10.660 -4.872 -15.729 1.00 23.44 H new ATOM 0 HG13 VAL A 14 -9.743 -3.671 -16.669 1.00 23.44 H new ATOM 0 HG21 VAL A 14 -7.220 -3.837 -14.973 1.00 63.12 H new ATOM 0 HG22 VAL A 14 -7.963 -2.317 -15.525 1.00 63.12 H new ATOM 0 HG23 VAL A 14 -7.649 -2.577 -13.793 1.00 63.12 H new ATOM 254 N LEU A 15 -11.937 -4.155 -13.244 1.00 14.13 N ATOM 255 CA LEU A 15 -13.165 -4.944 -13.129 1.00 3.05 C ATOM 256 C LEU A 15 -14.403 -4.102 -12.921 1.00 1.14 C ATOM 257 O LEU A 15 -15.338 -4.142 -13.717 1.00 13.02 O ATOM 258 CB LEU A 15 -13.055 -5.973 -12.002 1.00 33.04 C ATOM 259 CG LEU A 15 -11.902 -6.971 -12.091 1.00 0.42 C ATOM 260 CD1 LEU A 15 -11.962 -7.955 -10.935 1.00 14.42 C ATOM 261 CD2 LEU A 15 -11.909 -7.702 -13.423 1.00 42.54 C ATOM 0 H LEU A 15 -11.232 -4.391 -12.546 1.00 14.13 H new ATOM 0 HA LEU A 15 -13.275 -5.453 -14.086 1.00 3.05 H new ATOM 0 HB2 LEU A 15 -12.967 -5.435 -11.058 1.00 33.04 H new ATOM 0 HB3 LEU A 15 -13.988 -6.535 -11.962 1.00 33.04 H new ATOM 0 HG LEU A 15 -10.967 -6.415 -12.024 1.00 0.42 H new ATOM 0 HD11 LEU A 15 -11.134 -8.659 -11.013 1.00 14.42 H new ATOM 0 HD12 LEU A 15 -11.890 -7.413 -9.992 1.00 14.42 H new ATOM 0 HD13 LEU A 15 -12.906 -8.500 -10.969 1.00 14.42 H new ATOM 0 HD21 LEU A 15 -11.077 -8.405 -13.456 1.00 42.54 H new ATOM 0 HD22 LEU A 15 -12.848 -8.245 -13.535 1.00 42.54 H new ATOM 0 HD23 LEU A 15 -11.808 -6.981 -14.234 1.00 42.54 H new ATOM 273 N ARG A 16 -14.374 -3.314 -11.904 1.00 62.55 N ATOM 274 CA ARG A 16 -15.492 -2.557 -11.486 1.00 11.52 C ATOM 275 C ARG A 16 -15.954 -1.486 -12.529 1.00 40.34 C ATOM 276 O ARG A 16 -17.142 -1.476 -12.912 1.00 21.43 O ATOM 277 CB ARG A 16 -15.219 -1.979 -10.101 1.00 3.44 C ATOM 278 CG ARG A 16 -16.255 -1.040 -9.663 1.00 2.34 C ATOM 279 CD ARG A 16 -16.014 -0.513 -8.302 1.00 53.53 C ATOM 280 NE ARG A 16 -17.051 0.434 -7.987 1.00 31.03 N ATOM 281 CZ ARG A 16 -17.177 1.097 -6.864 1.00 44.40 C ATOM 282 NH1 ARG A 16 -16.323 0.926 -5.857 1.00 13.54 N ATOM 283 NH2 ARG A 16 -18.159 1.934 -6.742 1.00 23.01 N ATOM 0 H ARG A 16 -13.545 -3.177 -11.326 1.00 62.55 H new ATOM 0 HA ARG A 16 -16.349 -3.227 -11.417 1.00 11.52 H new ATOM 0 HB2 ARG A 16 -15.145 -2.794 -9.380 1.00 3.44 H new ATOM 0 HB3 ARG A 16 -14.254 -1.471 -10.108 1.00 3.44 H new ATOM 0 HG2 ARG A 16 -16.305 -0.208 -10.366 1.00 2.34 H new ATOM 0 HG3 ARG A 16 -17.224 -1.538 -9.688 1.00 2.34 H new ATOM 0 HD2 ARG A 16 -16.011 -1.326 -7.576 1.00 53.53 H new ATOM 0 HD3 ARG A 16 -15.036 -0.035 -8.249 1.00 53.53 H new ATOM 0 HE ARG A 16 -17.754 0.605 -8.706 1.00 31.03 H new ATOM 0 HH11 ARG A 16 -15.550 0.267 -5.950 1.00 13.54 H new ATOM 0 HH12 ARG A 16 -16.442 1.454 -4.992 1.00 13.54 H new ATOM 0 HH21 ARG A 16 -18.815 2.066 -7.512 1.00 23.01 H new ATOM 0 HH22 ARG A 16 -18.276 2.461 -5.876 1.00 23.01 H new ATOM 297 N PRO A 17 -15.051 -0.606 -13.057 1.00 50.21 N ATOM 298 CA PRO A 17 -15.449 0.417 -14.011 1.00 55.15 C ATOM 299 C PRO A 17 -15.880 -0.202 -15.311 1.00 12.24 C ATOM 300 O PRO A 17 -16.802 0.282 -15.952 1.00 70.31 O ATOM 301 CB PRO A 17 -14.182 1.256 -14.222 1.00 3.55 C ATOM 302 CG PRO A 17 -13.317 0.894 -13.084 1.00 71.32 C ATOM 303 CD PRO A 17 -13.617 -0.537 -12.811 1.00 23.05 C ATOM 0 HA PRO A 17 -16.292 1.007 -13.651 1.00 55.15 H new ATOM 0 HB2 PRO A 17 -13.705 1.025 -15.174 1.00 3.55 H new ATOM 0 HB3 PRO A 17 -14.407 2.323 -14.228 1.00 3.55 H new ATOM 0 HG2 PRO A 17 -12.264 1.037 -13.328 1.00 71.32 H new ATOM 0 HG3 PRO A 17 -13.530 1.515 -12.214 1.00 71.32 H new ATOM 0 HD2 PRO A 17 -13.059 -1.202 -13.470 1.00 23.05 H new ATOM 0 HD3 PRO A 17 -13.366 -0.817 -11.788 1.00 23.05 H new ATOM 311 N LEU A 18 -15.282 -1.339 -15.661 1.00 43.21 N ATOM 312 CA LEU A 18 -15.592 -1.962 -16.900 1.00 12.23 C ATOM 313 C LEU A 18 -16.911 -2.609 -16.851 1.00 55.24 C ATOM 314 O LEU A 18 -17.584 -2.632 -17.808 1.00 62.35 O ATOM 315 CB LEU A 18 -14.560 -2.934 -17.343 1.00 34.21 C ATOM 316 CG LEU A 18 -13.257 -2.340 -17.862 1.00 72.55 C ATOM 317 CD1 LEU A 18 -12.326 -3.443 -18.237 1.00 54.30 C ATOM 318 CD2 LEU A 18 -13.502 -1.435 -19.057 1.00 34.33 C ATOM 0 H LEU A 18 -14.589 -1.827 -15.094 1.00 43.21 H new ATOM 0 HA LEU A 18 -15.611 -1.162 -17.640 1.00 12.23 H new ATOM 0 HB2 LEU A 18 -14.327 -3.592 -16.506 1.00 34.21 H new ATOM 0 HB3 LEU A 18 -14.990 -3.556 -18.128 1.00 34.21 H new ATOM 0 HG LEU A 18 -12.812 -1.735 -17.072 1.00 72.55 H new ATOM 0 HD11 LEU A 18 -11.393 -3.021 -18.609 1.00 54.30 H new ATOM 0 HD12 LEU A 18 -12.122 -4.060 -17.362 1.00 54.30 H new ATOM 0 HD13 LEU A 18 -12.782 -4.056 -19.015 1.00 54.30 H new ATOM 0 HD21 LEU A 18 -12.553 -1.026 -19.405 1.00 34.33 H new ATOM 0 HD22 LEU A 18 -13.965 -2.009 -19.859 1.00 34.33 H new ATOM 0 HD23 LEU A 18 -14.164 -0.619 -18.766 1.00 34.33 H new ATOM 330 N LYS A 19 -17.295 -3.107 -15.718 1.00 73.32 N ATOM 331 CA LYS A 19 -18.632 -3.673 -15.583 1.00 63.44 C ATOM 332 C LYS A 19 -19.663 -2.618 -15.646 1.00 61.23 C ATOM 333 O LYS A 19 -20.755 -2.820 -16.165 1.00 44.04 O ATOM 334 CB LYS A 19 -18.766 -4.561 -14.356 1.00 54.22 C ATOM 335 CG LYS A 19 -18.423 -6.018 -14.616 1.00 72.32 C ATOM 336 CD LYS A 19 -17.056 -6.214 -15.231 1.00 1.12 C ATOM 337 CE LYS A 19 -16.846 -7.658 -15.622 1.00 34.31 C ATOM 338 NZ LYS A 19 -15.509 -7.881 -16.187 1.00 55.24 N ATOM 0 H LYS A 19 -16.723 -3.141 -14.874 1.00 73.32 H new ATOM 0 HA LYS A 19 -18.798 -4.331 -16.436 1.00 63.44 H new ATOM 0 HB2 LYS A 19 -18.116 -4.179 -13.569 1.00 54.22 H new ATOM 0 HB3 LYS A 19 -19.788 -4.499 -13.983 1.00 54.22 H new ATOM 0 HG2 LYS A 19 -18.472 -6.568 -13.676 1.00 72.32 H new ATOM 0 HG3 LYS A 19 -19.175 -6.448 -15.277 1.00 72.32 H new ATOM 0 HD2 LYS A 19 -16.952 -5.576 -16.109 1.00 1.12 H new ATOM 0 HD3 LYS A 19 -16.286 -5.909 -14.522 1.00 1.12 H new ATOM 0 HE2 LYS A 19 -16.982 -8.295 -14.748 1.00 34.31 H new ATOM 0 HE3 LYS A 19 -17.602 -7.951 -16.351 1.00 34.31 H new ATOM 0 HZ1 LYS A 19 -15.403 -8.883 -16.443 1.00 55.24 H new ATOM 0 HZ2 LYS A 19 -15.388 -7.292 -17.036 1.00 55.24 H new ATOM 0 HZ3 LYS A 19 -14.788 -7.625 -15.483 1.00 55.24 H new ATOM 352 N THR A 20 -19.294 -1.482 -15.219 1.00 35.22 N ATOM 353 CA THR A 20 -20.171 -0.382 -15.244 1.00 3.22 C ATOM 354 C THR A 20 -20.324 0.185 -16.698 1.00 62.12 C ATOM 355 O THR A 20 -21.364 0.739 -17.062 1.00 23.54 O ATOM 356 CB THR A 20 -19.689 0.674 -14.262 1.00 33.31 C ATOM 357 OG1 THR A 20 -19.405 0.023 -12.993 1.00 64.20 O ATOM 358 CG2 THR A 20 -20.784 1.653 -14.051 1.00 45.45 C ATOM 0 H THR A 20 -18.369 -1.283 -14.838 1.00 35.22 H new ATOM 0 HA THR A 20 -21.164 -0.705 -14.933 1.00 3.22 H new ATOM 0 HB THR A 20 -18.799 1.174 -14.644 1.00 33.31 H new ATOM 0 HG1 THR A 20 -18.514 -0.385 -13.027 1.00 64.20 H new ATOM 0 HG21 THR A 20 -20.457 2.419 -13.348 1.00 45.45 H new ATOM 0 HG22 THR A 20 -21.043 2.119 -15.002 1.00 45.45 H new ATOM 0 HG23 THR A 20 -21.657 1.141 -13.648 1.00 45.45 H new ATOM 366 N ILE A 21 -19.305 -0.010 -17.518 1.00 75.53 N ATOM 367 CA ILE A 21 -19.329 0.436 -18.917 1.00 31.50 C ATOM 368 C ILE A 21 -19.823 -0.689 -19.803 1.00 54.13 C ATOM 369 O ILE A 21 -20.875 -0.610 -20.440 1.00 64.10 O ATOM 370 CB ILE A 21 -17.910 0.806 -19.406 1.00 55.34 C ATOM 371 CG1 ILE A 21 -17.279 1.852 -18.515 1.00 41.31 C ATOM 372 CG2 ILE A 21 -17.944 1.303 -20.853 1.00 70.13 C ATOM 373 CD1 ILE A 21 -15.811 1.994 -18.769 1.00 75.13 C ATOM 0 H ILE A 21 -18.441 -0.477 -17.244 1.00 75.53 H new ATOM 0 HA ILE A 21 -19.984 1.305 -18.972 1.00 31.50 H new ATOM 0 HB ILE A 21 -17.302 -0.098 -19.360 1.00 55.34 H new ATOM 0 HG12 ILE A 21 -17.770 2.811 -18.679 1.00 41.31 H new ATOM 0 HG13 ILE A 21 -17.442 1.585 -17.471 1.00 41.31 H new ATOM 0 HG21 ILE A 21 -16.934 1.557 -21.174 1.00 70.13 H new ATOM 0 HG22 ILE A 21 -18.344 0.520 -21.497 1.00 70.13 H new ATOM 0 HG23 ILE A 21 -18.579 2.187 -20.919 1.00 70.13 H new ATOM 0 HD11 ILE A 21 -15.399 2.756 -18.107 1.00 75.13 H new ATOM 0 HD12 ILE A 21 -15.315 1.042 -18.579 1.00 75.13 H new ATOM 0 HD13 ILE A 21 -15.648 2.288 -19.806 1.00 75.13 H new ATOM 385 N LYS A 22 -19.054 -1.745 -19.802 1.00 73.32 N ATOM 386 CA LYS A 22 -19.277 -2.920 -20.635 1.00 34.53 C ATOM 387 C LYS A 22 -20.579 -3.668 -20.320 1.00 42.53 C ATOM 388 O LYS A 22 -20.935 -4.586 -21.041 1.00 2.32 O ATOM 389 CB LYS A 22 -18.071 -3.872 -20.591 1.00 50.44 C ATOM 390 CG LYS A 22 -16.746 -3.211 -20.973 1.00 42.43 C ATOM 391 CD LYS A 22 -16.786 -2.629 -22.377 1.00 53.54 C ATOM 392 CE LYS A 22 -15.488 -1.914 -22.714 1.00 25.11 C ATOM 393 NZ LYS A 22 -15.476 -1.404 -24.101 1.00 24.41 N ATOM 0 H LYS A 22 -18.229 -1.824 -19.208 1.00 73.32 H new ATOM 0 HA LYS A 22 -19.389 -2.541 -21.651 1.00 34.53 H new ATOM 0 HB2 LYS A 22 -17.983 -4.285 -19.586 1.00 50.44 H new ATOM 0 HB3 LYS A 22 -18.256 -4.709 -21.265 1.00 50.44 H new ATOM 0 HG2 LYS A 22 -16.516 -2.420 -20.259 1.00 42.43 H new ATOM 0 HG3 LYS A 22 -15.942 -3.944 -20.907 1.00 42.43 H new ATOM 0 HD2 LYS A 22 -16.963 -3.426 -23.099 1.00 53.54 H new ATOM 0 HD3 LYS A 22 -17.620 -1.932 -22.461 1.00 53.54 H new ATOM 0 HE2 LYS A 22 -15.342 -1.084 -22.022 1.00 25.11 H new ATOM 0 HE3 LYS A 22 -14.651 -2.598 -22.573 1.00 25.11 H new ATOM 0 HZ1 LYS A 22 -14.572 -0.924 -24.287 1.00 24.41 H new ATOM 0 HZ2 LYS A 22 -15.589 -2.198 -24.764 1.00 24.41 H new ATOM 0 HZ3 LYS A 22 -16.258 -0.731 -24.230 1.00 24.41 H new ATOM 407 N ARG A 23 -21.291 -3.299 -19.253 1.00 32.43 N ATOM 408 CA ARG A 23 -22.624 -3.878 -19.017 1.00 60.24 C ATOM 409 C ARG A 23 -23.575 -3.549 -20.179 1.00 11.13 C ATOM 410 O ARG A 23 -24.554 -4.233 -20.389 1.00 34.31 O ATOM 411 CB ARG A 23 -23.252 -3.353 -17.726 1.00 42.33 C ATOM 412 CG ARG A 23 -23.494 -1.850 -17.725 1.00 14.14 C ATOM 413 CD ARG A 23 -24.203 -1.389 -16.474 1.00 1.21 C ATOM 414 NE ARG A 23 -23.429 -1.638 -15.254 1.00 11.35 N ATOM 415 CZ ARG A 23 -23.623 -0.992 -14.094 1.00 62.13 C ATOM 416 NH1 ARG A 23 -24.556 -0.043 -14.005 1.00 44.22 N ATOM 417 NH2 ARG A 23 -22.894 -1.302 -13.030 1.00 52.50 N ATOM 0 H ARG A 23 -20.983 -2.622 -18.555 1.00 32.43 H new ATOM 0 HA ARG A 23 -22.483 -4.956 -18.936 1.00 60.24 H new ATOM 0 HB2 ARG A 23 -24.201 -3.864 -17.561 1.00 42.33 H new ATOM 0 HB3 ARG A 23 -22.603 -3.607 -16.888 1.00 42.33 H new ATOM 0 HG2 ARG A 23 -22.540 -1.330 -17.813 1.00 14.14 H new ATOM 0 HG3 ARG A 23 -24.087 -1.578 -18.598 1.00 14.14 H new ATOM 0 HD2 ARG A 23 -24.413 -0.322 -16.554 1.00 1.21 H new ATOM 0 HD3 ARG A 23 -25.164 -1.898 -16.399 1.00 1.21 H new ATOM 0 HE ARG A 23 -22.697 -2.347 -15.289 1.00 11.35 H new ATOM 0 HH11 ARG A 23 -25.123 0.193 -14.819 1.00 44.22 H new ATOM 0 HH12 ARG A 23 -24.702 0.447 -13.123 1.00 44.22 H new ATOM 0 HH21 ARG A 23 -22.185 -2.032 -13.093 1.00 52.50 H new ATOM 0 HH22 ARG A 23 -23.043 -0.810 -12.149 1.00 52.50 H new ATOM 431 N LEU A 24 -23.269 -2.503 -20.921 1.00 70.10 N ATOM 432 CA LEU A 24 -24.130 -2.078 -21.991 1.00 72.43 C ATOM 433 C LEU A 24 -24.006 -2.977 -23.267 1.00 62.11 C ATOM 434 O LEU A 24 -25.015 -3.541 -23.710 1.00 13.31 O ATOM 435 CB LEU A 24 -23.950 -0.569 -22.285 1.00 14.55 C ATOM 436 CG LEU A 24 -24.089 0.370 -21.071 1.00 70.34 C ATOM 437 CD1 LEU A 24 -23.792 1.805 -21.462 1.00 63.04 C ATOM 438 CD2 LEU A 24 -25.473 0.267 -20.450 1.00 42.51 C ATOM 0 H LEU A 24 -22.430 -1.936 -20.798 1.00 70.10 H new ATOM 0 HA LEU A 24 -25.158 -2.214 -21.654 1.00 72.43 H new ATOM 0 HB2 LEU A 24 -22.965 -0.419 -22.726 1.00 14.55 H new ATOM 0 HB3 LEU A 24 -24.684 -0.274 -23.035 1.00 14.55 H new ATOM 0 HG LEU A 24 -23.359 0.055 -20.326 1.00 70.34 H new ATOM 0 HD11 LEU A 24 -23.897 2.449 -20.589 1.00 63.04 H new ATOM 0 HD12 LEU A 24 -22.774 1.875 -21.844 1.00 63.04 H new ATOM 0 HD13 LEU A 24 -24.492 2.124 -22.234 1.00 63.04 H new ATOM 0 HD21 LEU A 24 -25.540 0.941 -19.596 1.00 42.51 H new ATOM 0 HD22 LEU A 24 -26.225 0.542 -21.189 1.00 42.51 H new ATOM 0 HD23 LEU A 24 -25.648 -0.757 -20.119 1.00 42.51 H new ATOM 450 N PRO A 25 -22.799 -3.147 -23.902 1.00 42.35 N ATOM 451 CA PRO A 25 -22.684 -3.964 -25.105 1.00 23.12 C ATOM 452 C PRO A 25 -22.134 -5.375 -24.855 1.00 71.33 C ATOM 453 O PRO A 25 -21.965 -6.179 -25.787 1.00 34.13 O ATOM 454 CB PRO A 25 -21.722 -3.146 -25.951 1.00 31.41 C ATOM 455 CG PRO A 25 -20.812 -2.466 -24.955 1.00 61.34 C ATOM 456 CD PRO A 25 -21.498 -2.519 -23.597 1.00 54.35 C ATOM 0 HA PRO A 25 -23.654 -4.154 -25.563 1.00 23.12 H new ATOM 0 HB2 PRO A 25 -21.157 -3.781 -26.633 1.00 31.41 H new ATOM 0 HB3 PRO A 25 -22.254 -2.417 -26.562 1.00 31.41 H new ATOM 0 HG2 PRO A 25 -19.845 -2.967 -24.916 1.00 61.34 H new ATOM 0 HG3 PRO A 25 -20.625 -1.433 -25.250 1.00 61.34 H new ATOM 0 HD2 PRO A 25 -20.926 -3.106 -22.879 1.00 54.35 H new ATOM 0 HD3 PRO A 25 -21.621 -1.524 -23.169 1.00 54.35 H new ATOM 464 N LYS A 26 -21.884 -5.664 -23.628 1.00 2.05 N ATOM 465 CA LYS A 26 -21.281 -6.931 -23.216 1.00 34.12 C ATOM 466 C LYS A 26 -21.982 -7.483 -21.989 1.00 74.13 C ATOM 467 O LYS A 26 -21.371 -8.202 -21.197 1.00 64.33 O ATOM 468 CB LYS A 26 -19.777 -6.746 -22.903 1.00 54.02 C ATOM 469 CG LYS A 26 -18.869 -6.478 -24.099 1.00 75.41 C ATOM 470 CD LYS A 26 -18.839 -7.672 -25.034 1.00 22.11 C ATOM 471 CE LYS A 26 -17.820 -7.496 -26.143 1.00 33.24 C ATOM 472 NZ LYS A 26 -17.788 -8.670 -27.044 1.00 34.32 N ATOM 0 H LYS A 26 -22.087 -5.034 -22.852 1.00 2.05 H new ATOM 0 HA LYS A 26 -21.391 -7.635 -24.041 1.00 34.12 H new ATOM 0 HB2 LYS A 26 -19.672 -5.919 -22.201 1.00 54.02 H new ATOM 0 HB3 LYS A 26 -19.420 -7.642 -22.395 1.00 54.02 H new ATOM 0 HG2 LYS A 26 -19.221 -5.598 -24.638 1.00 75.41 H new ATOM 0 HG3 LYS A 26 -17.860 -6.257 -23.752 1.00 75.41 H new ATOM 0 HD2 LYS A 26 -18.605 -8.572 -24.466 1.00 22.11 H new ATOM 0 HD3 LYS A 26 -19.828 -7.817 -25.469 1.00 22.11 H new ATOM 0 HE2 LYS A 26 -18.058 -6.601 -26.718 1.00 33.24 H new ATOM 0 HE3 LYS A 26 -16.832 -7.342 -25.709 1.00 33.24 H new ATOM 0 HZ1 LYS A 26 -17.080 -8.516 -27.790 1.00 34.32 H new ATOM 0 HZ2 LYS A 26 -17.537 -9.519 -26.499 1.00 34.32 H new ATOM 0 HZ3 LYS A 26 -18.725 -8.801 -27.477 1.00 34.32 H new ATOM 486 N LEU A 27 -23.264 -7.179 -21.857 1.00 4.42 N ATOM 487 CA LEU A 27 -24.062 -7.645 -20.723 1.00 40.34 C ATOM 488 C LEU A 27 -23.963 -9.156 -20.475 1.00 45.24 C ATOM 489 O LEU A 27 -24.061 -9.981 -21.407 1.00 50.25 O ATOM 490 CB LEU A 27 -25.509 -7.117 -20.771 1.00 12.44 C ATOM 491 CG LEU A 27 -26.223 -7.171 -22.109 1.00 63.22 C ATOM 492 CD1 LEU A 27 -26.581 -8.581 -22.499 1.00 72.43 C ATOM 493 CD2 LEU A 27 -27.432 -6.263 -22.102 1.00 72.00 C ATOM 0 H LEU A 27 -23.781 -6.607 -22.525 1.00 4.42 H new ATOM 0 HA LEU A 27 -23.610 -7.200 -19.837 1.00 40.34 H new ATOM 0 HB2 LEU A 27 -26.099 -7.683 -20.050 1.00 12.44 H new ATOM 0 HB3 LEU A 27 -25.502 -6.081 -20.434 1.00 12.44 H new ATOM 0 HG LEU A 27 -25.534 -6.806 -22.871 1.00 63.22 H new ATOM 0 HD11 LEU A 27 -27.090 -8.574 -23.463 1.00 72.43 H new ATOM 0 HD12 LEU A 27 -25.673 -9.180 -22.573 1.00 72.43 H new ATOM 0 HD13 LEU A 27 -27.239 -9.011 -21.744 1.00 72.43 H new ATOM 0 HD21 LEU A 27 -27.931 -6.315 -23.069 1.00 72.00 H new ATOM 0 HD22 LEU A 27 -28.122 -6.581 -21.320 1.00 72.00 H new ATOM 0 HD23 LEU A 27 -27.116 -5.237 -21.911 1.00 72.00 H new ATOM 505 N LYS A 28 -23.720 -9.503 -19.251 1.00 32.43 N ATOM 506 CA LYS A 28 -23.522 -10.857 -18.850 1.00 1.40 C ATOM 507 C LYS A 28 -24.262 -11.128 -17.563 1.00 34.52 C ATOM 508 O LYS A 28 -25.344 -11.741 -17.626 1.00 11.14 O ATOM 509 CB LYS A 28 -22.014 -11.197 -18.762 1.00 22.02 C ATOM 510 CG LYS A 28 -21.173 -10.191 -17.965 1.00 15.41 C ATOM 511 CD LYS A 28 -19.691 -10.565 -17.932 1.00 71.42 C ATOM 512 CE LYS A 28 -19.075 -10.607 -19.332 1.00 51.34 C ATOM 513 NZ LYS A 28 -19.189 -9.315 -20.041 1.00 64.45 N ATOM 514 OXT LYS A 28 -23.817 -10.683 -16.490 1.00 0.00 O ATOM 0 H LYS A 28 -23.652 -8.834 -18.484 1.00 32.43 H new ATOM 0 HA LYS A 28 -23.938 -11.521 -19.608 1.00 1.40 H new ATOM 0 HB2 LYS A 28 -21.904 -12.182 -18.308 1.00 22.02 H new ATOM 0 HB3 LYS A 28 -21.612 -11.265 -19.773 1.00 22.02 H new ATOM 0 HG2 LYS A 28 -21.285 -9.200 -18.404 1.00 15.41 H new ATOM 0 HG3 LYS A 28 -21.553 -10.132 -16.945 1.00 15.41 H new ATOM 0 HD2 LYS A 28 -19.149 -9.844 -17.320 1.00 71.42 H new ATOM 0 HD3 LYS A 28 -19.574 -11.539 -17.456 1.00 71.42 H new ATOM 0 HE2 LYS A 28 -18.023 -10.883 -19.254 1.00 51.34 H new ATOM 0 HE3 LYS A 28 -19.566 -11.384 -19.918 1.00 51.34 H new ATOM 0 HZ1 LYS A 28 -18.537 -9.305 -20.851 1.00 64.45 H new ATOM 0 HZ2 LYS A 28 -20.164 -9.190 -20.380 1.00 64.45 H new ATOM 0 HZ3 LYS A 28 -18.946 -8.540 -19.391 1.00 64.45 H new TER 528 LYS A 28