USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=9 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+ 150:sc= -0.0512 (180deg=-1.09) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.0627! X(o=0.063!,f=-0.21) USER MOD Single : A 5 THR OG1 : rot -150:sc= 0.175 USER MOD Single : A 7 LYS NZ :NH3+ -169:sc=-0.00535 (180deg=-0.136) USER MOD Single : A 8 SER OG : rot 67:sc= 0.557 USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.607) USER MOD Single : A 20 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.085) USER MOD Single : A 26 LYS NZ :NH3+ -130:sc= 1.25 (180deg=0.418) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0312) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.767 -5.367 1.083 1.00 10.54 N ATOM 2 CA LYS A 1 2.538 -5.111 0.358 1.00 10.43 C ATOM 3 C LYS A 1 2.889 -4.325 -0.919 1.00 62.12 C ATOM 4 O LYS A 1 3.800 -4.725 -1.615 1.00 24.44 O ATOM 5 CB LYS A 1 1.438 -4.421 1.283 1.00 62.40 C ATOM 6 CG LYS A 1 1.582 -2.924 1.687 1.00 50.21 C ATOM 7 CD LYS A 1 2.795 -2.573 2.513 1.00 42.34 C ATOM 8 CE LYS A 1 2.796 -1.069 2.733 1.00 34.40 C ATOM 9 NZ LYS A 1 3.937 -0.596 3.543 1.00 43.43 N ATOM 0 H1 LYS A 1 3.566 -5.414 2.102 1.00 10.54 H new ATOM 0 H2 LYS A 1 4.174 -6.271 0.769 1.00 10.54 H new ATOM 0 H3 LYS A 1 4.445 -4.600 0.899 1.00 10.54 H new ATOM 0 HA LYS A 1 2.068 -6.046 0.052 1.00 10.43 H new ATOM 0 HB2 LYS A 1 0.478 -4.529 0.779 1.00 62.40 H new ATOM 0 HB3 LYS A 1 1.381 -5.000 2.204 1.00 62.40 H new ATOM 0 HG2 LYS A 1 1.601 -2.324 0.778 1.00 50.21 H new ATOM 0 HG3 LYS A 1 0.692 -2.632 2.244 1.00 50.21 H new ATOM 0 HD2 LYS A 1 2.770 -3.098 3.468 1.00 42.34 H new ATOM 0 HD3 LYS A 1 3.706 -2.884 2.002 1.00 42.34 H new ATOM 0 HE2 LYS A 1 2.814 -0.568 1.765 1.00 34.40 H new ATOM 0 HE3 LYS A 1 1.867 -0.780 3.224 1.00 34.40 H new ATOM 0 HZ1 LYS A 1 3.879 0.436 3.656 1.00 43.43 H new ATOM 0 HZ2 LYS A 1 3.910 -1.048 4.479 1.00 43.43 H new ATOM 0 HZ3 LYS A 1 4.827 -0.842 3.065 1.00 43.43 H new ATOM 25 N ASP A 2 2.148 -3.264 -1.240 1.00 21.40 N ATOM 26 CA ASP A 2 2.396 -2.354 -2.376 1.00 70.12 C ATOM 27 C ASP A 2 2.185 -2.914 -3.765 1.00 74.35 C ATOM 28 O ASP A 2 1.350 -2.378 -4.500 1.00 25.34 O ATOM 29 CB ASP A 2 3.618 -1.400 -2.262 1.00 20.22 C ATOM 30 CG ASP A 2 4.991 -2.019 -2.015 1.00 51.10 C ATOM 31 OD1 ASP A 2 5.624 -2.509 -2.955 1.00 4.44 O ATOM 32 OD2 ASP A 2 5.490 -1.942 -0.862 1.00 31.55 O ATOM 0 H ASP A 2 1.325 -2.998 -0.699 1.00 21.40 H new ATOM 0 HA ASP A 2 1.543 -1.689 -2.241 1.00 70.12 H new ATOM 0 HB2 ASP A 2 3.675 -0.819 -3.182 1.00 20.22 H new ATOM 0 HB3 ASP A 2 3.418 -0.697 -1.453 1.00 20.22 H new ATOM 37 N ILE A 3 2.872 -3.985 -4.118 1.00 1.13 N ATOM 38 CA ILE A 3 2.712 -4.597 -5.455 1.00 62.13 C ATOM 39 C ILE A 3 1.260 -5.002 -5.677 1.00 32.15 C ATOM 40 O ILE A 3 0.623 -4.579 -6.639 1.00 52.43 O ATOM 41 CB ILE A 3 3.621 -5.863 -5.728 1.00 34.14 C ATOM 42 CG1 ILE A 3 5.121 -5.553 -5.710 1.00 64.12 C ATOM 43 CG2 ILE A 3 3.265 -6.526 -7.050 1.00 31.00 C ATOM 44 CD1 ILE A 3 5.704 -5.372 -4.347 1.00 31.34 C ATOM 0 H ILE A 3 3.545 -4.457 -3.514 1.00 1.13 H new ATOM 0 HA ILE A 3 3.033 -3.822 -6.151 1.00 62.13 H new ATOM 0 HB ILE A 3 3.415 -6.545 -4.903 1.00 34.14 H new ATOM 0 HG12 ILE A 3 5.651 -6.362 -6.213 1.00 64.12 H new ATOM 0 HG13 ILE A 3 5.298 -4.647 -6.289 1.00 64.12 H new ATOM 0 HG21 ILE A 3 3.908 -7.392 -7.207 1.00 31.00 H new ATOM 0 HG22 ILE A 3 2.223 -6.846 -7.028 1.00 31.00 H new ATOM 0 HG23 ILE A 3 3.408 -5.815 -7.864 1.00 31.00 H new ATOM 0 HD11 ILE A 3 6.769 -5.156 -4.433 1.00 31.34 H new ATOM 0 HD12 ILE A 3 5.205 -4.543 -3.845 1.00 31.34 H new ATOM 0 HD13 ILE A 3 5.564 -6.284 -3.767 1.00 31.34 H new ATOM 56 N ASN A 4 0.722 -5.776 -4.759 1.00 64.41 N ATOM 57 CA ASN A 4 -0.647 -6.256 -4.909 1.00 74.52 C ATOM 58 C ASN A 4 -1.620 -5.110 -4.604 1.00 13.23 C ATOM 59 O ASN A 4 -2.738 -5.094 -5.099 1.00 63.20 O ATOM 60 CB ASN A 4 -0.906 -7.501 -4.005 1.00 52.22 C ATOM 61 CG ASN A 4 -2.194 -8.315 -4.316 1.00 75.34 C ATOM 62 OD1 ASN A 4 -2.217 -9.537 -4.134 1.00 72.43 O ATOM 63 ND2 ASN A 4 -3.261 -7.680 -4.739 1.00 3.11 N ATOM 0 H ASN A 4 1.197 -6.086 -3.911 1.00 64.41 H new ATOM 0 HA ASN A 4 -0.808 -6.581 -5.937 1.00 74.52 H new ATOM 0 HB2 ASN A 4 -0.049 -8.170 -4.088 1.00 52.22 H new ATOM 0 HB3 ASN A 4 -0.952 -7.169 -2.968 1.00 52.22 H new ATOM 0 HD21 ASN A 4 -4.122 -8.195 -4.921 1.00 3.11 H new ATOM 0 HD22 ASN A 4 -3.229 -6.671 -4.885 1.00 3.11 H new ATOM 70 N THR A 5 -1.161 -4.121 -3.859 1.00 11.22 N ATOM 71 CA THR A 5 -1.989 -2.996 -3.487 1.00 14.21 C ATOM 72 C THR A 5 -2.362 -2.191 -4.724 1.00 1.24 C ATOM 73 O THR A 5 -3.534 -1.912 -4.954 1.00 32.32 O ATOM 74 CB THR A 5 -1.245 -2.085 -2.533 1.00 52.13 C ATOM 75 OG1 THR A 5 -0.702 -2.867 -1.447 1.00 1.05 O ATOM 76 CG2 THR A 5 -2.165 -1.009 -1.973 1.00 0.01 C ATOM 0 H THR A 5 -0.208 -4.078 -3.498 1.00 11.22 H new ATOM 0 HA THR A 5 -2.887 -3.382 -3.005 1.00 14.21 H new ATOM 0 HB THR A 5 -0.439 -1.597 -3.081 1.00 52.13 H new ATOM 0 HG1 THR A 5 -0.655 -2.316 -0.638 1.00 1.05 H new ATOM 0 HG21 THR A 5 -1.604 -0.370 -1.291 1.00 0.01 H new ATOM 0 HG22 THR A 5 -2.562 -0.408 -2.791 1.00 0.01 H new ATOM 0 HG23 THR A 5 -2.989 -1.478 -1.435 1.00 0.01 H new ATOM 84 N ILE A 6 -1.370 -1.857 -5.550 1.00 3.25 N ATOM 85 CA ILE A 6 -1.643 -1.107 -6.751 1.00 53.52 C ATOM 86 C ILE A 6 -2.418 -1.910 -7.768 1.00 64.32 C ATOM 87 O ILE A 6 -3.126 -1.358 -8.610 1.00 1.40 O ATOM 88 CB ILE A 6 -0.418 -0.430 -7.345 1.00 63.04 C ATOM 89 CG1 ILE A 6 0.698 -1.372 -7.565 1.00 40.42 C ATOM 90 CG2 ILE A 6 0.033 0.725 -6.488 1.00 41.03 C ATOM 91 CD1 ILE A 6 0.725 -1.949 -8.945 1.00 61.15 C ATOM 0 H ILE A 6 -0.389 -2.095 -5.403 1.00 3.25 H new ATOM 0 HA ILE A 6 -2.292 -0.289 -6.439 1.00 53.52 H new ATOM 0 HB ILE A 6 -0.718 -0.048 -8.321 1.00 63.04 H new ATOM 0 HG12 ILE A 6 1.640 -0.858 -7.376 1.00 40.42 H new ATOM 0 HG13 ILE A 6 0.627 -2.184 -6.841 1.00 40.42 H new ATOM 0 HG21 ILE A 6 0.911 1.190 -6.937 1.00 41.03 H new ATOM 0 HG22 ILE A 6 -0.770 1.459 -6.415 1.00 41.03 H new ATOM 0 HG23 ILE A 6 0.285 0.362 -5.491 1.00 41.03 H new ATOM 0 HD11 ILE A 6 1.570 -2.632 -9.037 1.00 61.15 H new ATOM 0 HD12 ILE A 6 -0.202 -2.491 -9.131 1.00 61.15 H new ATOM 0 HD13 ILE A 6 0.827 -1.145 -9.674 1.00 61.15 H new ATOM 103 N LYS A 7 -2.340 -3.229 -7.634 1.00 1.21 N ATOM 104 CA LYS A 7 -3.096 -4.119 -8.478 1.00 12.13 C ATOM 105 C LYS A 7 -4.530 -4.214 -7.969 1.00 43.12 C ATOM 106 O LYS A 7 -5.405 -4.706 -8.649 1.00 61.10 O ATOM 107 CB LYS A 7 -2.445 -5.509 -8.574 1.00 24.31 C ATOM 108 CG LYS A 7 -1.014 -5.497 -9.123 1.00 11.34 C ATOM 109 CD LYS A 7 -0.912 -4.914 -10.540 1.00 73.03 C ATOM 110 CE LYS A 7 -1.582 -5.794 -11.592 1.00 22.40 C ATOM 111 NZ LYS A 7 -0.934 -7.114 -11.713 1.00 4.35 N ATOM 0 H LYS A 7 -1.755 -3.698 -6.943 1.00 1.21 H new ATOM 0 HA LYS A 7 -3.105 -3.709 -9.488 1.00 12.13 H new ATOM 0 HB2 LYS A 7 -2.438 -5.964 -7.583 1.00 24.31 H new ATOM 0 HB3 LYS A 7 -3.061 -6.143 -9.211 1.00 24.31 H new ATOM 0 HG2 LYS A 7 -0.380 -4.917 -8.452 1.00 11.34 H new ATOM 0 HG3 LYS A 7 -0.625 -6.515 -9.128 1.00 11.34 H new ATOM 0 HD2 LYS A 7 -1.370 -3.925 -10.555 1.00 73.03 H new ATOM 0 HD3 LYS A 7 0.139 -4.782 -10.799 1.00 73.03 H new ATOM 0 HE2 LYS A 7 -2.632 -5.930 -11.334 1.00 22.40 H new ATOM 0 HE3 LYS A 7 -1.554 -5.288 -12.557 1.00 22.40 H new ATOM 0 HZ1 LYS A 7 -1.296 -7.603 -12.557 1.00 4.35 H new ATOM 0 HZ2 LYS A 7 0.095 -6.989 -11.800 1.00 4.35 H new ATOM 0 HZ3 LYS A 7 -1.143 -7.682 -10.867 1.00 4.35 H new ATOM 125 N SER A 8 -4.763 -3.760 -6.763 1.00 22.31 N ATOM 126 CA SER A 8 -6.117 -3.665 -6.287 1.00 2.20 C ATOM 127 C SER A 8 -6.657 -2.298 -6.657 1.00 55.33 C ATOM 128 O SER A 8 -7.767 -2.169 -7.158 1.00 31.45 O ATOM 129 CB SER A 8 -6.185 -3.902 -4.778 1.00 70.31 C ATOM 130 OG SER A 8 -5.638 -5.170 -4.451 1.00 50.14 O ATOM 0 H SER A 8 -4.046 -3.456 -6.104 1.00 22.31 H new ATOM 0 HA SER A 8 -6.730 -4.436 -6.754 1.00 2.20 H new ATOM 0 HB2 SER A 8 -5.638 -3.117 -4.255 1.00 70.31 H new ATOM 0 HB3 SER A 8 -7.220 -3.848 -4.441 1.00 70.31 H new ATOM 0 HG SER A 8 -4.677 -5.170 -4.641 1.00 50.14 H new ATOM 136 N LEU A 9 -5.826 -1.299 -6.470 1.00 24.24 N ATOM 137 CA LEU A 9 -6.184 0.067 -6.760 1.00 51.43 C ATOM 138 C LEU A 9 -6.510 0.258 -8.228 1.00 43.22 C ATOM 139 O LEU A 9 -7.659 0.484 -8.583 1.00 63.15 O ATOM 140 CB LEU A 9 -5.052 1.019 -6.359 1.00 72.41 C ATOM 141 CG LEU A 9 -4.637 0.994 -4.894 1.00 71.55 C ATOM 142 CD1 LEU A 9 -3.496 1.958 -4.649 1.00 13.43 C ATOM 143 CD2 LEU A 9 -5.814 1.325 -4.006 1.00 34.11 C ATOM 0 H LEU A 9 -4.878 -1.413 -6.111 1.00 24.24 H new ATOM 0 HA LEU A 9 -7.075 0.298 -6.176 1.00 51.43 H new ATOM 0 HB2 LEU A 9 -4.177 0.786 -6.966 1.00 72.41 H new ATOM 0 HB3 LEU A 9 -5.354 2.035 -6.612 1.00 72.41 H new ATOM 0 HG LEU A 9 -4.294 -0.011 -4.649 1.00 71.55 H new ATOM 0 HD11 LEU A 9 -3.213 1.927 -3.597 1.00 13.43 H new ATOM 0 HD12 LEU A 9 -2.642 1.674 -5.263 1.00 13.43 H new ATOM 0 HD13 LEU A 9 -3.811 2.968 -4.910 1.00 13.43 H new ATOM 0 HD21 LEU A 9 -5.500 1.303 -2.962 1.00 34.11 H new ATOM 0 HD22 LEU A 9 -6.187 2.319 -4.252 1.00 34.11 H new ATOM 0 HD23 LEU A 9 -6.605 0.592 -4.163 1.00 34.11 H new ATOM 155 N ARG A 10 -5.518 0.079 -9.070 1.00 50.12 N ATOM 156 CA ARG A 10 -5.638 0.404 -10.484 1.00 15.13 C ATOM 157 C ARG A 10 -6.480 -0.616 -11.250 1.00 5.33 C ATOM 158 O ARG A 10 -7.300 -0.248 -12.091 1.00 62.51 O ATOM 159 CB ARG A 10 -4.261 0.535 -11.114 1.00 30.14 C ATOM 160 CG ARG A 10 -4.254 1.341 -12.398 1.00 24.24 C ATOM 161 CD ARG A 10 -2.855 1.503 -12.946 1.00 25.03 C ATOM 162 NE ARG A 10 -2.836 2.485 -14.019 1.00 40.14 N ATOM 163 CZ ARG A 10 -2.578 3.791 -13.843 1.00 31.20 C ATOM 164 NH1 ARG A 10 -2.257 4.260 -12.628 1.00 4.32 N ATOM 165 NH2 ARG A 10 -2.649 4.621 -14.870 1.00 51.31 N ATOM 0 H ARG A 10 -4.607 -0.294 -8.802 1.00 50.12 H new ATOM 0 HA ARG A 10 -6.158 1.360 -10.550 1.00 15.13 H new ATOM 0 HB2 ARG A 10 -3.586 1.003 -10.397 1.00 30.14 H new ATOM 0 HB3 ARG A 10 -3.868 -0.461 -11.318 1.00 30.14 H new ATOM 0 HG2 ARG A 10 -4.881 0.848 -13.141 1.00 24.24 H new ATOM 0 HG3 ARG A 10 -4.689 2.323 -12.214 1.00 24.24 H new ATOM 0 HD2 ARG A 10 -2.180 1.814 -12.149 1.00 25.03 H new ATOM 0 HD3 ARG A 10 -2.490 0.545 -13.316 1.00 25.03 H new ATOM 0 HE ARG A 10 -3.031 2.161 -14.966 1.00 40.14 H new ATOM 0 HH11 ARG A 10 -2.208 3.624 -11.832 1.00 4.32 H new ATOM 0 HH12 ARG A 10 -2.062 5.253 -12.500 1.00 4.32 H new ATOM 0 HH21 ARG A 10 -2.899 4.269 -15.794 1.00 51.31 H new ATOM 0 HH22 ARG A 10 -2.453 5.613 -14.738 1.00 51.31 H new ATOM 179 N VAL A 11 -6.302 -1.887 -10.955 1.00 30.03 N ATOM 180 CA VAL A 11 -7.051 -2.916 -11.665 1.00 43.20 C ATOM 181 C VAL A 11 -8.542 -2.801 -11.369 1.00 54.54 C ATOM 182 O VAL A 11 -9.363 -2.885 -12.271 1.00 33.30 O ATOM 183 CB VAL A 11 -6.526 -4.349 -11.384 1.00 42.20 C ATOM 184 CG1 VAL A 11 -7.360 -5.404 -12.102 1.00 53.33 C ATOM 185 CG2 VAL A 11 -5.078 -4.465 -11.820 1.00 44.03 C ATOM 0 H VAL A 11 -5.659 -2.233 -10.243 1.00 30.03 H new ATOM 0 HA VAL A 11 -6.896 -2.741 -12.730 1.00 43.20 H new ATOM 0 HB VAL A 11 -6.605 -4.526 -10.311 1.00 42.20 H new ATOM 0 HG11 VAL A 11 -6.962 -6.394 -11.881 1.00 53.33 H new ATOM 0 HG12 VAL A 11 -8.394 -5.344 -11.762 1.00 53.33 H new ATOM 0 HG13 VAL A 11 -7.321 -5.229 -13.177 1.00 53.33 H new ATOM 0 HG21 VAL A 11 -4.717 -5.474 -11.619 1.00 44.03 H new ATOM 0 HG22 VAL A 11 -5.002 -4.258 -12.887 1.00 44.03 H new ATOM 0 HG23 VAL A 11 -4.473 -3.747 -11.267 1.00 44.03 H new ATOM 195 N LEU A 12 -8.895 -2.522 -10.128 1.00 0.52 N ATOM 196 CA LEU A 12 -10.306 -2.369 -9.795 1.00 34.30 C ATOM 197 C LEU A 12 -10.830 -1.050 -10.227 1.00 12.53 C ATOM 198 O LEU A 12 -12.019 -0.884 -10.498 1.00 22.42 O ATOM 199 CB LEU A 12 -10.629 -2.696 -8.351 1.00 42.52 C ATOM 200 CG LEU A 12 -10.641 -4.182 -8.051 1.00 13.45 C ATOM 201 CD1 LEU A 12 -9.254 -4.819 -8.029 1.00 3.14 C ATOM 202 CD2 LEU A 12 -11.458 -4.532 -6.830 1.00 22.44 C ATOM 0 H LEU A 12 -8.247 -2.399 -9.350 1.00 0.52 H new ATOM 0 HA LEU A 12 -10.840 -3.125 -10.371 1.00 34.30 H new ATOM 0 HB2 LEU A 12 -9.898 -2.210 -7.705 1.00 42.52 H new ATOM 0 HB3 LEU A 12 -11.603 -2.276 -8.102 1.00 42.52 H new ATOM 0 HG LEU A 12 -11.152 -4.633 -8.902 1.00 13.45 H new ATOM 0 HD11 LEU A 12 -9.345 -5.882 -7.808 1.00 3.14 H new ATOM 0 HD12 LEU A 12 -8.779 -4.690 -9.002 1.00 3.14 H new ATOM 0 HD13 LEU A 12 -8.646 -4.340 -7.262 1.00 3.14 H new ATOM 0 HD21 LEU A 12 -11.427 -5.609 -6.668 1.00 22.44 H new ATOM 0 HD22 LEU A 12 -11.047 -4.022 -5.959 1.00 22.44 H new ATOM 0 HD23 LEU A 12 -12.491 -4.217 -6.981 1.00 22.44 H new ATOM 214 N ARG A 13 -9.926 -0.159 -10.355 1.00 21.11 N ATOM 215 CA ARG A 13 -10.188 1.178 -10.931 1.00 12.31 C ATOM 216 C ARG A 13 -10.582 1.010 -12.411 1.00 33.45 C ATOM 217 O ARG A 13 -11.201 1.886 -13.013 1.00 24.24 O ATOM 218 CB ARG A 13 -8.939 2.080 -10.818 1.00 50.42 C ATOM 219 CG ARG A 13 -9.101 3.521 -11.316 1.00 3.33 C ATOM 220 CD ARG A 13 -10.169 4.281 -10.540 1.00 65.52 C ATOM 221 NE ARG A 13 -9.916 4.277 -9.093 1.00 61.43 N ATOM 222 CZ ARG A 13 -10.630 4.945 -8.188 1.00 24.25 C ATOM 223 NH1 ARG A 13 -11.540 5.841 -8.569 1.00 64.45 N ATOM 224 NH2 ARG A 13 -10.414 4.731 -6.904 1.00 12.12 N ATOM 0 H ARG A 13 -8.957 -0.301 -10.071 1.00 21.11 H new ATOM 0 HA ARG A 13 -10.998 1.654 -10.378 1.00 12.31 H new ATOM 0 HB2 ARG A 13 -8.631 2.111 -9.773 1.00 50.42 H new ATOM 0 HB3 ARG A 13 -8.127 1.613 -11.376 1.00 50.42 H new ATOM 0 HG2 ARG A 13 -8.149 4.044 -11.227 1.00 3.33 H new ATOM 0 HG3 ARG A 13 -9.361 3.511 -12.374 1.00 3.33 H new ATOM 0 HD2 ARG A 13 -10.211 5.310 -10.896 1.00 65.52 H new ATOM 0 HD3 ARG A 13 -11.144 3.836 -10.737 1.00 65.52 H new ATOM 0 HE ARG A 13 -9.132 3.719 -8.755 1.00 61.43 H new ATOM 0 HH11 ARG A 13 -11.695 6.020 -9.561 1.00 64.45 H new ATOM 0 HH12 ARG A 13 -12.082 6.347 -7.869 1.00 64.45 H new ATOM 0 HH21 ARG A 13 -9.705 4.059 -6.611 1.00 12.12 H new ATOM 0 HH22 ARG A 13 -10.956 5.238 -6.204 1.00 12.12 H new ATOM 238 N VAL A 14 -10.199 -0.121 -12.987 1.00 63.44 N ATOM 239 CA VAL A 14 -10.583 -0.460 -14.348 1.00 51.24 C ATOM 240 C VAL A 14 -11.836 -1.324 -14.332 1.00 72.40 C ATOM 241 O VAL A 14 -12.803 -1.062 -15.056 1.00 62.52 O ATOM 242 CB VAL A 14 -9.458 -1.230 -15.089 1.00 42.52 C ATOM 243 CG1 VAL A 14 -9.873 -1.587 -16.511 1.00 11.42 C ATOM 244 CG2 VAL A 14 -8.185 -0.423 -15.110 1.00 61.21 C ATOM 0 H VAL A 14 -9.619 -0.823 -12.528 1.00 63.44 H new ATOM 0 HA VAL A 14 -10.770 0.475 -14.876 1.00 51.24 H new ATOM 0 HB VAL A 14 -9.280 -2.157 -14.543 1.00 42.52 H new ATOM 0 HG11 VAL A 14 -9.063 -2.126 -17.002 1.00 11.42 H new ATOM 0 HG12 VAL A 14 -10.762 -2.216 -16.483 1.00 11.42 H new ATOM 0 HG13 VAL A 14 -10.091 -0.675 -17.066 1.00 11.42 H new ATOM 0 HG21 VAL A 14 -7.409 -0.981 -15.634 1.00 61.21 H new ATOM 0 HG22 VAL A 14 -8.362 0.522 -15.623 1.00 61.21 H new ATOM 0 HG23 VAL A 14 -7.862 -0.226 -14.088 1.00 61.21 H new ATOM 254 N LEU A 15 -11.827 -2.329 -13.476 1.00 51.32 N ATOM 255 CA LEU A 15 -12.899 -3.313 -13.414 1.00 34.42 C ATOM 256 C LEU A 15 -14.237 -2.703 -13.075 1.00 63.21 C ATOM 257 O LEU A 15 -15.252 -3.056 -13.661 1.00 54.13 O ATOM 258 CB LEU A 15 -12.575 -4.449 -12.441 1.00 34.31 C ATOM 259 CG LEU A 15 -11.268 -5.215 -12.677 1.00 63.41 C ATOM 260 CD1 LEU A 15 -11.127 -6.357 -11.686 1.00 32.32 C ATOM 261 CD2 LEU A 15 -11.167 -5.722 -14.106 1.00 12.31 C ATOM 0 H LEU A 15 -11.078 -2.489 -12.803 1.00 51.32 H new ATOM 0 HA LEU A 15 -12.974 -3.728 -14.419 1.00 34.42 H new ATOM 0 HB2 LEU A 15 -12.548 -4.035 -11.433 1.00 34.31 H new ATOM 0 HB3 LEU A 15 -13.397 -5.164 -12.469 1.00 34.31 H new ATOM 0 HG LEU A 15 -10.445 -4.519 -12.518 1.00 63.41 H new ATOM 0 HD11 LEU A 15 -10.193 -6.887 -11.872 1.00 32.32 H new ATOM 0 HD12 LEU A 15 -11.123 -5.960 -10.671 1.00 32.32 H new ATOM 0 HD13 LEU A 15 -11.964 -7.046 -11.803 1.00 32.32 H new ATOM 0 HD21 LEU A 15 -10.228 -6.260 -14.236 1.00 12.31 H new ATOM 0 HD22 LEU A 15 -12.001 -6.393 -14.314 1.00 12.31 H new ATOM 0 HD23 LEU A 15 -11.200 -4.878 -14.795 1.00 12.31 H new ATOM 273 N ARG A 16 -14.237 -1.793 -12.156 1.00 13.40 N ATOM 274 CA ARG A 16 -15.460 -1.152 -11.729 1.00 41.33 C ATOM 275 C ARG A 16 -16.167 -0.350 -12.831 1.00 11.32 C ATOM 276 O ARG A 16 -17.232 -0.764 -13.272 1.00 32.15 O ATOM 277 CB ARG A 16 -15.275 -0.358 -10.433 1.00 0.20 C ATOM 278 CG ARG A 16 -15.411 -1.186 -9.165 1.00 23.50 C ATOM 279 CD ARG A 16 -14.538 -2.418 -9.125 1.00 43.43 C ATOM 280 NE ARG A 16 -14.654 -3.062 -7.832 1.00 31.02 N ATOM 281 CZ ARG A 16 -14.918 -4.343 -7.604 1.00 53.43 C ATOM 282 NH1 ARG A 16 -15.043 -5.214 -8.608 1.00 3.01 N ATOM 283 NH2 ARG A 16 -15.054 -4.758 -6.360 1.00 23.44 N ATOM 0 H ARG A 16 -13.398 -1.467 -11.675 1.00 13.40 H new ATOM 0 HA ARG A 16 -16.149 -1.965 -11.502 1.00 41.33 H new ATOM 0 HB2 ARG A 16 -14.290 0.108 -10.444 1.00 0.20 H new ATOM 0 HB3 ARG A 16 -16.009 0.448 -10.407 1.00 0.20 H new ATOM 0 HG2 ARG A 16 -15.170 -0.557 -8.308 1.00 23.50 H new ATOM 0 HG3 ARG A 16 -16.452 -1.490 -9.054 1.00 23.50 H new ATOM 0 HD2 ARG A 16 -14.834 -3.110 -9.914 1.00 43.43 H new ATOM 0 HD3 ARG A 16 -13.500 -2.145 -9.313 1.00 43.43 H new ATOM 0 HE ARG A 16 -14.519 -2.470 -7.012 1.00 31.02 H new ATOM 0 HH11 ARG A 16 -14.935 -4.900 -9.572 1.00 3.01 H new ATOM 0 HH12 ARG A 16 -15.246 -6.194 -8.411 1.00 3.01 H new ATOM 0 HH21 ARG A 16 -14.956 -4.098 -5.589 1.00 23.44 H new ATOM 0 HH22 ARG A 16 -15.257 -5.739 -6.169 1.00 23.44 H new ATOM 297 N PRO A 17 -15.573 0.743 -13.372 1.00 60.31 N ATOM 298 CA PRO A 17 -16.271 1.597 -14.322 1.00 32.22 C ATOM 299 C PRO A 17 -16.500 0.904 -15.646 1.00 70.31 C ATOM 300 O PRO A 17 -17.563 1.053 -16.259 1.00 13.44 O ATOM 301 CB PRO A 17 -15.334 2.807 -14.506 1.00 41.43 C ATOM 302 CG PRO A 17 -14.317 2.670 -13.429 1.00 13.12 C ATOM 303 CD PRO A 17 -14.201 1.202 -13.180 1.00 34.42 C ATOM 0 HA PRO A 17 -17.261 1.872 -13.960 1.00 32.22 H new ATOM 0 HB2 PRO A 17 -14.869 2.800 -15.492 1.00 41.43 H new ATOM 0 HB3 PRO A 17 -15.880 3.746 -14.417 1.00 41.43 H new ATOM 0 HG2 PRO A 17 -13.361 3.094 -13.735 1.00 13.12 H new ATOM 0 HG3 PRO A 17 -14.626 3.199 -12.527 1.00 13.12 H new ATOM 0 HD2 PRO A 17 -13.512 0.725 -13.877 1.00 34.42 H new ATOM 0 HD3 PRO A 17 -13.838 0.988 -12.175 1.00 34.42 H new ATOM 311 N LEU A 18 -15.547 0.080 -16.063 1.00 61.13 N ATOM 312 CA LEU A 18 -15.661 -0.521 -17.341 1.00 4.32 C ATOM 313 C LEU A 18 -16.584 -1.663 -17.350 1.00 34.24 C ATOM 314 O LEU A 18 -17.184 -1.915 -18.346 1.00 70.31 O ATOM 315 CB LEU A 18 -14.361 -0.926 -17.967 1.00 1.55 C ATOM 316 CG LEU A 18 -13.483 0.192 -18.564 1.00 43.21 C ATOM 317 CD1 LEU A 18 -12.896 1.110 -17.502 1.00 13.51 C ATOM 318 CD2 LEU A 18 -12.401 -0.400 -19.430 1.00 23.31 C ATOM 0 H LEU A 18 -14.712 -0.170 -15.532 1.00 61.13 H new ATOM 0 HA LEU A 18 -16.071 0.280 -17.955 1.00 4.32 H new ATOM 0 HB2 LEU A 18 -13.773 -1.450 -17.214 1.00 1.55 H new ATOM 0 HB3 LEU A 18 -14.577 -1.644 -18.758 1.00 1.55 H new ATOM 0 HG LEU A 18 -14.130 0.815 -19.182 1.00 43.21 H new ATOM 0 HD11 LEU A 18 -12.287 1.877 -17.980 1.00 13.51 H new ATOM 0 HD12 LEU A 18 -13.704 1.583 -16.943 1.00 13.51 H new ATOM 0 HD13 LEU A 18 -12.276 0.528 -16.820 1.00 13.51 H new ATOM 0 HD21 LEU A 18 -11.789 0.400 -19.845 1.00 23.31 H new ATOM 0 HD22 LEU A 18 -11.776 -1.061 -18.830 1.00 23.31 H new ATOM 0 HD23 LEU A 18 -12.855 -0.968 -20.242 1.00 23.31 H new ATOM 330 N LYS A 19 -16.720 -2.368 -16.255 1.00 53.30 N ATOM 331 CA LYS A 19 -17.648 -3.473 -16.268 1.00 61.31 C ATOM 332 C LYS A 19 -19.029 -3.045 -16.069 1.00 13.33 C ATOM 333 O LYS A 19 -19.953 -3.750 -16.426 1.00 1.21 O ATOM 334 CB LYS A 19 -17.240 -4.690 -15.464 1.00 60.34 C ATOM 335 CG LYS A 19 -16.205 -5.542 -16.169 1.00 21.14 C ATOM 336 CD LYS A 19 -14.858 -4.856 -16.308 1.00 73.13 C ATOM 337 CE LYS A 19 -13.890 -5.681 -17.135 1.00 71.04 C ATOM 338 NZ LYS A 19 -13.687 -7.032 -16.581 1.00 1.32 N ATOM 0 H LYS A 19 -16.224 -2.209 -15.378 1.00 53.30 H new ATOM 0 HA LYS A 19 -17.597 -3.858 -17.287 1.00 61.31 H new ATOM 0 HB2 LYS A 19 -16.843 -4.367 -14.502 1.00 60.34 H new ATOM 0 HB3 LYS A 19 -18.123 -5.296 -15.258 1.00 60.34 H new ATOM 0 HG2 LYS A 19 -16.075 -6.474 -15.619 1.00 21.14 H new ATOM 0 HG3 LYS A 19 -16.575 -5.806 -17.160 1.00 21.14 H new ATOM 0 HD2 LYS A 19 -14.993 -3.880 -16.773 1.00 73.13 H new ATOM 0 HD3 LYS A 19 -14.435 -4.682 -15.319 1.00 73.13 H new ATOM 0 HE2 LYS A 19 -14.266 -5.762 -18.155 1.00 71.04 H new ATOM 0 HE3 LYS A 19 -12.931 -5.165 -17.189 1.00 71.04 H new ATOM 0 HZ1 LYS A 19 -12.776 -7.409 -16.911 1.00 1.32 H new ATOM 0 HZ2 LYS A 19 -13.686 -6.985 -15.542 1.00 1.32 H new ATOM 0 HZ3 LYS A 19 -14.456 -7.656 -16.898 1.00 1.32 H new ATOM 352 N THR A 20 -19.171 -1.875 -15.553 1.00 43.22 N ATOM 353 CA THR A 20 -20.435 -1.256 -15.514 1.00 43.53 C ATOM 354 C THR A 20 -20.869 -0.941 -16.973 1.00 72.32 C ATOM 355 O THR A 20 -22.013 -1.164 -17.356 1.00 2.23 O ATOM 356 CB THR A 20 -20.375 0.014 -14.670 1.00 22.35 C ATOM 357 OG1 THR A 20 -19.943 -0.326 -13.343 1.00 22.35 O ATOM 358 CG2 THR A 20 -21.727 0.642 -14.608 1.00 43.45 C ATOM 0 H THR A 20 -18.412 -1.327 -15.149 1.00 43.22 H new ATOM 0 HA THR A 20 -21.168 -1.919 -15.054 1.00 43.53 H new ATOM 0 HB THR A 20 -19.674 0.718 -15.118 1.00 22.35 H new ATOM 0 HG1 THR A 20 -18.973 -0.463 -13.340 1.00 22.35 H new ATOM 0 HG21 THR A 20 -21.680 1.548 -14.004 1.00 43.45 H new ATOM 0 HG22 THR A 20 -22.058 0.894 -15.616 1.00 43.45 H new ATOM 0 HG23 THR A 20 -22.433 -0.057 -14.159 1.00 43.45 H new ATOM 366 N ILE A 21 -19.919 -0.486 -17.784 1.00 51.54 N ATOM 367 CA ILE A 21 -20.178 -0.212 -19.196 1.00 72.00 C ATOM 368 C ILE A 21 -20.369 -1.520 -19.933 1.00 4.11 C ATOM 369 O ILE A 21 -21.417 -1.777 -20.515 1.00 41.20 O ATOM 370 CB ILE A 21 -19.008 0.522 -19.866 1.00 52.04 C ATOM 371 CG1 ILE A 21 -18.607 1.759 -19.091 1.00 13.40 C ATOM 372 CG2 ILE A 21 -19.382 0.906 -21.292 1.00 32.24 C ATOM 373 CD1 ILE A 21 -17.299 2.317 -19.564 1.00 14.14 C ATOM 0 H ILE A 21 -18.961 -0.299 -17.488 1.00 51.54 H new ATOM 0 HA ILE A 21 -21.068 0.416 -19.243 1.00 72.00 H new ATOM 0 HB ILE A 21 -18.155 -0.157 -19.880 1.00 52.04 H new ATOM 0 HG12 ILE A 21 -19.383 2.518 -19.192 1.00 13.40 H new ATOM 0 HG13 ILE A 21 -18.535 1.516 -18.031 1.00 13.40 H new ATOM 0 HG21 ILE A 21 -18.546 1.426 -21.760 1.00 32.24 H new ATOM 0 HG22 ILE A 21 -19.614 0.006 -21.862 1.00 32.24 H new ATOM 0 HG23 ILE A 21 -20.254 1.560 -21.276 1.00 32.24 H new ATOM 0 HD11 ILE A 21 -17.049 3.204 -18.981 1.00 14.14 H new ATOM 0 HD12 ILE A 21 -16.517 1.568 -19.438 1.00 14.14 H new ATOM 0 HD13 ILE A 21 -17.378 2.586 -20.617 1.00 14.14 H new ATOM 385 N LYS A 22 -19.334 -2.337 -19.895 1.00 73.13 N ATOM 386 CA LYS A 22 -19.342 -3.659 -20.541 1.00 61.32 C ATOM 387 C LYS A 22 -20.560 -4.543 -20.210 1.00 15.10 C ATOM 388 O LYS A 22 -20.917 -5.386 -21.020 1.00 51.30 O ATOM 389 CB LYS A 22 -18.027 -4.449 -20.343 1.00 4.24 C ATOM 390 CG LYS A 22 -16.891 -4.116 -21.332 1.00 32.35 C ATOM 391 CD LYS A 22 -16.412 -2.675 -21.240 1.00 63.22 C ATOM 392 CE LYS A 22 -15.258 -2.400 -22.198 1.00 61.12 C ATOM 393 NZ LYS A 22 -15.649 -2.551 -23.617 1.00 72.00 N ATOM 0 H LYS A 22 -18.460 -2.114 -19.419 1.00 73.13 H new ATOM 0 HA LYS A 22 -19.430 -3.408 -21.598 1.00 61.32 H new ATOM 0 HB2 LYS A 22 -17.666 -4.270 -19.330 1.00 4.24 H new ATOM 0 HB3 LYS A 22 -18.249 -5.513 -20.419 1.00 4.24 H new ATOM 0 HG2 LYS A 22 -16.050 -4.783 -21.145 1.00 32.35 H new ATOM 0 HG3 LYS A 22 -17.234 -4.313 -22.348 1.00 32.35 H new ATOM 0 HD2 LYS A 22 -17.239 -2.002 -21.465 1.00 63.22 H new ATOM 0 HD3 LYS A 22 -16.096 -2.462 -20.219 1.00 63.22 H new ATOM 0 HE2 LYS A 22 -14.887 -1.389 -22.033 1.00 61.12 H new ATOM 0 HE3 LYS A 22 -14.437 -3.081 -21.977 1.00 61.12 H new ATOM 0 HZ1 LYS A 22 -14.880 -2.208 -24.227 1.00 72.00 H new ATOM 0 HZ2 LYS A 22 -15.832 -3.554 -23.822 1.00 72.00 H new ATOM 0 HZ3 LYS A 22 -16.510 -1.997 -23.801 1.00 72.00 H new ATOM 407 N ARG A 23 -21.237 -4.345 -19.062 1.00 11.03 N ATOM 408 CA ARG A 23 -22.402 -5.177 -18.787 1.00 41.41 C ATOM 409 C ARG A 23 -23.636 -4.815 -19.614 1.00 65.12 C ATOM 410 O ARG A 23 -24.664 -5.476 -19.523 1.00 75.44 O ATOM 411 CB ARG A 23 -22.688 -5.418 -17.284 1.00 2.21 C ATOM 412 CG ARG A 23 -22.940 -4.212 -16.374 1.00 14.10 C ATOM 413 CD ARG A 23 -24.303 -3.561 -16.558 1.00 1.23 C ATOM 414 NE ARG A 23 -24.669 -2.767 -15.368 1.00 70.55 N ATOM 415 CZ ARG A 23 -24.898 -1.449 -15.321 1.00 34.10 C ATOM 416 NH1 ARG A 23 -24.638 -0.684 -16.359 1.00 2.10 N ATOM 417 NH2 ARG A 23 -25.332 -0.896 -14.196 1.00 1.21 N ATOM 0 H ARG A 23 -21.007 -3.652 -18.350 1.00 11.03 H new ATOM 0 HA ARG A 23 -22.111 -6.162 -19.151 1.00 41.41 H new ATOM 0 HB2 ARG A 23 -23.559 -6.070 -17.215 1.00 2.21 H new ATOM 0 HB3 ARG A 23 -21.843 -5.970 -16.872 1.00 2.21 H new ATOM 0 HG2 ARG A 23 -22.839 -4.528 -15.336 1.00 14.10 H new ATOM 0 HG3 ARG A 23 -22.167 -3.466 -16.557 1.00 14.10 H new ATOM 0 HD2 ARG A 23 -24.289 -2.919 -17.439 1.00 1.23 H new ATOM 0 HD3 ARG A 23 -25.057 -4.328 -16.735 1.00 1.23 H new ATOM 0 HE ARG A 23 -24.757 -3.277 -14.489 1.00 70.55 H new ATOM 0 HH11 ARG A 23 -24.258 -1.094 -17.212 1.00 2.10 H new ATOM 0 HH12 ARG A 23 -24.817 0.319 -16.311 1.00 2.10 H new ATOM 0 HH21 ARG A 23 -25.490 -1.475 -13.371 1.00 1.21 H new ATOM 0 HH22 ARG A 23 -25.508 0.108 -14.156 1.00 1.21 H new ATOM 431 N LEU A 24 -23.528 -3.779 -20.426 1.00 33.00 N ATOM 432 CA LEU A 24 -24.576 -3.474 -21.379 1.00 14.11 C ATOM 433 C LEU A 24 -24.497 -4.425 -22.595 1.00 34.52 C ATOM 434 O LEU A 24 -25.449 -5.156 -22.845 1.00 72.41 O ATOM 435 CB LEU A 24 -24.622 -1.988 -21.825 1.00 41.35 C ATOM 436 CG LEU A 24 -25.202 -0.960 -20.846 1.00 60.31 C ATOM 437 CD1 LEU A 24 -24.328 -0.769 -19.634 1.00 42.22 C ATOM 438 CD2 LEU A 24 -25.427 0.356 -21.549 1.00 1.43 C ATOM 0 H LEU A 24 -22.733 -3.141 -20.444 1.00 33.00 H new ATOM 0 HA LEU A 24 -25.516 -3.640 -20.853 1.00 14.11 H new ATOM 0 HB2 LEU A 24 -23.605 -1.681 -22.068 1.00 41.35 H new ATOM 0 HB3 LEU A 24 -25.200 -1.934 -22.747 1.00 41.35 H new ATOM 0 HG LEU A 24 -26.157 -1.348 -20.492 1.00 60.31 H new ATOM 0 HD11 LEU A 24 -24.781 -0.032 -18.971 1.00 42.22 H new ATOM 0 HD12 LEU A 24 -24.226 -1.717 -19.106 1.00 42.22 H new ATOM 0 HD13 LEU A 24 -23.344 -0.420 -19.946 1.00 42.22 H new ATOM 0 HD21 LEU A 24 -25.839 1.079 -20.845 1.00 1.43 H new ATOM 0 HD22 LEU A 24 -24.479 0.728 -21.938 1.00 1.43 H new ATOM 0 HD23 LEU A 24 -26.126 0.213 -22.373 1.00 1.43 H new ATOM 450 N PRO A 25 -23.355 -4.464 -23.372 1.00 41.22 N ATOM 451 CA PRO A 25 -23.234 -5.366 -24.527 1.00 64.31 C ATOM 452 C PRO A 25 -22.931 -6.813 -24.162 1.00 54.35 C ATOM 453 O PRO A 25 -22.890 -7.706 -25.028 1.00 62.30 O ATOM 454 CB PRO A 25 -22.119 -4.755 -25.351 1.00 3.14 C ATOM 455 CG PRO A 25 -21.243 -4.097 -24.346 1.00 65.53 C ATOM 456 CD PRO A 25 -22.151 -3.597 -23.255 1.00 34.14 C ATOM 0 HA PRO A 25 -24.181 -5.440 -25.062 1.00 64.31 H new ATOM 0 HB2 PRO A 25 -21.578 -5.515 -25.915 1.00 3.14 H new ATOM 0 HB3 PRO A 25 -22.505 -4.037 -26.074 1.00 3.14 H new ATOM 0 HG2 PRO A 25 -20.510 -4.800 -23.950 1.00 65.53 H new ATOM 0 HG3 PRO A 25 -20.686 -3.275 -24.795 1.00 65.53 H new ATOM 0 HD2 PRO A 25 -21.686 -3.689 -22.274 1.00 34.14 H new ATOM 0 HD3 PRO A 25 -22.400 -2.545 -23.393 1.00 34.14 H new ATOM 464 N LYS A 26 -22.704 -7.031 -22.932 1.00 70.03 N ATOM 465 CA LYS A 26 -22.492 -8.336 -22.416 1.00 53.00 C ATOM 466 C LYS A 26 -23.847 -8.884 -22.028 1.00 14.14 C ATOM 467 O LYS A 26 -24.497 -8.342 -21.129 1.00 63.34 O ATOM 468 CB LYS A 26 -21.537 -8.258 -21.226 1.00 64.24 C ATOM 469 CG LYS A 26 -21.143 -9.572 -20.621 1.00 32.52 C ATOM 470 CD LYS A 26 -19.943 -9.414 -19.678 1.00 71.13 C ATOM 471 CE LYS A 26 -20.271 -8.621 -18.418 1.00 0.41 C ATOM 472 NZ LYS A 26 -21.065 -9.407 -17.454 1.00 64.50 N ATOM 0 H LYS A 26 -22.657 -6.294 -22.229 1.00 70.03 H new ATOM 0 HA LYS A 26 -22.033 -9.000 -23.149 1.00 53.00 H new ATOM 0 HB2 LYS A 26 -20.632 -7.739 -21.543 1.00 64.24 H new ATOM 0 HB3 LYS A 26 -22.000 -7.647 -20.451 1.00 64.24 H new ATOM 0 HG2 LYS A 26 -21.987 -9.990 -20.072 1.00 32.52 H new ATOM 0 HG3 LYS A 26 -20.896 -10.280 -21.412 1.00 32.52 H new ATOM 0 HD2 LYS A 26 -19.580 -10.402 -19.394 1.00 71.13 H new ATOM 0 HD3 LYS A 26 -19.132 -8.918 -20.212 1.00 71.13 H new ATOM 0 HE2 LYS A 26 -19.345 -8.297 -17.944 1.00 0.41 H new ATOM 0 HE3 LYS A 26 -20.822 -7.721 -18.691 1.00 0.41 H new ATOM 0 HZ1 LYS A 26 -21.893 -8.854 -17.153 1.00 64.50 H new ATOM 0 HZ2 LYS A 26 -21.383 -10.289 -17.904 1.00 64.50 H new ATOM 0 HZ3 LYS A 26 -20.480 -9.633 -16.625 1.00 64.50 H new ATOM 486 N LEU A 27 -24.306 -9.904 -22.753 1.00 71.03 N ATOM 487 CA LEU A 27 -25.622 -10.482 -22.529 1.00 65.23 C ATOM 488 C LEU A 27 -25.812 -10.985 -21.107 1.00 1.25 C ATOM 489 O LEU A 27 -26.922 -10.929 -20.559 1.00 44.24 O ATOM 490 CB LEU A 27 -25.993 -11.505 -23.624 1.00 72.41 C ATOM 491 CG LEU A 27 -24.976 -12.590 -23.930 1.00 71.10 C ATOM 492 CD1 LEU A 27 -24.951 -13.647 -22.859 1.00 65.43 C ATOM 493 CD2 LEU A 27 -25.220 -13.190 -25.295 1.00 20.24 C ATOM 0 H LEU A 27 -23.778 -10.347 -23.505 1.00 71.03 H new ATOM 0 HA LEU A 27 -26.350 -9.677 -22.626 1.00 65.23 H new ATOM 0 HB2 LEU A 27 -26.926 -11.988 -23.333 1.00 72.41 H new ATOM 0 HB3 LEU A 27 -26.191 -10.957 -24.545 1.00 72.41 H new ATOM 0 HG LEU A 27 -23.990 -12.124 -23.942 1.00 71.10 H new ATOM 0 HD11 LEU A 27 -24.211 -14.406 -23.114 1.00 65.43 H new ATOM 0 HD12 LEU A 27 -24.689 -13.191 -21.904 1.00 65.43 H new ATOM 0 HD13 LEU A 27 -25.934 -14.111 -22.782 1.00 65.43 H new ATOM 0 HD21 LEU A 27 -24.478 -13.964 -25.490 1.00 20.24 H new ATOM 0 HD22 LEU A 27 -26.218 -13.627 -25.327 1.00 20.24 H new ATOM 0 HD23 LEU A 27 -25.140 -12.412 -26.054 1.00 20.24 H new ATOM 505 N LYS A 28 -24.722 -11.440 -20.518 1.00 71.33 N ATOM 506 CA LYS A 28 -24.666 -11.855 -19.150 1.00 43.13 C ATOM 507 C LYS A 28 -23.232 -12.198 -18.834 1.00 53.40 C ATOM 508 O LYS A 28 -22.726 -13.194 -19.368 1.00 70.42 O ATOM 509 CB LYS A 28 -25.611 -13.035 -18.844 1.00 20.22 C ATOM 510 CG LYS A 28 -25.709 -13.379 -17.358 1.00 10.40 C ATOM 511 CD LYS A 28 -26.111 -12.166 -16.501 1.00 4.13 C ATOM 512 CE LYS A 28 -27.481 -11.602 -16.869 1.00 33.14 C ATOM 513 NZ LYS A 28 -28.570 -12.576 -16.639 1.00 32.31 N ATOM 514 OXT LYS A 28 -22.587 -11.448 -18.088 1.00 0.00 O ATOM 0 H LYS A 28 -23.829 -11.529 -21.003 1.00 71.33 H new ATOM 0 HA LYS A 28 -25.013 -11.040 -18.514 1.00 43.13 H new ATOM 0 HB2 LYS A 28 -26.607 -12.797 -19.219 1.00 20.22 H new ATOM 0 HB3 LYS A 28 -25.267 -13.914 -19.389 1.00 20.22 H new ATOM 0 HG2 LYS A 28 -26.439 -14.176 -17.220 1.00 10.40 H new ATOM 0 HG3 LYS A 28 -24.749 -13.763 -17.012 1.00 10.40 H new ATOM 0 HD2 LYS A 28 -26.114 -12.456 -15.450 1.00 4.13 H new ATOM 0 HD3 LYS A 28 -25.360 -11.384 -16.614 1.00 4.13 H new ATOM 0 HE2 LYS A 28 -27.671 -10.703 -16.282 1.00 33.14 H new ATOM 0 HE3 LYS A 28 -27.479 -11.304 -17.917 1.00 33.14 H new ATOM 0 HZ1 LYS A 28 -29.487 -12.121 -16.822 1.00 32.31 H new ATOM 0 HZ2 LYS A 28 -28.452 -13.387 -17.280 1.00 32.31 H new ATOM 0 HZ3 LYS A 28 -28.538 -12.906 -15.653 1.00 32.31 H new TER 528 LYS A 28