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+ -108:sc= 0.0848 (180deg=-0.325) USER MOD Single : A 1 LYS NZ :NH3+ 168:sc= -0.0181 (180deg=-0.188) USER MOD Single : A 4 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.037) USER MOD Single : A 5 THR OG1 : rot 158:sc= 1.31 USER MOD Single : A 7 LYS NZ :NH3+ -173:sc=-0.00088 (180deg=-0.0581) 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 80:sc= 0.787 USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.148 (180deg=-0.576) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0.12 (180deg=-0.0841) USER MOD Single : A 28 LYS NZ :NH3+ -145:sc= -0.478 (180deg=-2.03!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 6.759 -4.200 -0.993 1.00 31.10 N ATOM 2 CA LYS A 1 5.544 -4.566 -0.258 1.00 33.05 C ATOM 3 C LYS A 1 4.425 -3.619 -0.675 1.00 12.35 C ATOM 4 O LYS A 1 4.701 -2.485 -1.016 1.00 43.00 O ATOM 5 CB LYS A 1 5.843 -4.493 1.271 1.00 10.31 C ATOM 6 CG LYS A 1 4.767 -5.032 2.233 1.00 44.21 C ATOM 7 CD LYS A 1 3.590 -4.088 2.412 1.00 53.23 C ATOM 8 CE LYS A 1 2.562 -4.642 3.380 1.00 4.32 C ATOM 9 NZ LYS A 1 3.112 -4.842 4.746 1.00 54.22 N ATOM 0 H1 LYS A 1 6.958 -4.921 -1.715 1.00 31.10 H new ATOM 0 H2 LYS A 1 6.622 -3.278 -1.454 1.00 31.10 H new ATOM 0 H3 LYS A 1 7.560 -4.141 -0.332 1.00 31.10 H new ATOM 0 HA LYS A 1 5.227 -5.584 -0.486 1.00 33.05 H new ATOM 0 HB2 LYS A 1 6.767 -5.040 1.459 1.00 10.31 H new ATOM 0 HB3 LYS A 1 6.032 -3.451 1.527 1.00 10.31 H new ATOM 0 HG2 LYS A 1 4.402 -5.989 1.859 1.00 44.21 H new ATOM 0 HG3 LYS A 1 5.222 -5.222 3.205 1.00 44.21 H new ATOM 0 HD2 LYS A 1 3.949 -3.125 2.776 1.00 53.23 H new ATOM 0 HD3 LYS A 1 3.119 -3.908 1.446 1.00 53.23 H new ATOM 0 HE2 LYS A 1 1.712 -3.961 3.431 1.00 4.32 H new ATOM 0 HE3 LYS A 1 2.187 -5.592 3.001 1.00 4.32 H new ATOM 0 HZ1 LYS A 1 2.333 -5.025 5.411 1.00 54.22 H new ATOM 0 HZ2 LYS A 1 3.762 -5.654 4.743 1.00 54.22 H new ATOM 0 HZ3 LYS A 1 3.626 -3.988 5.042 1.00 54.22 H new ATOM 25 N ASP A 2 3.172 -4.142 -0.733 1.00 5.22 N ATOM 26 CA ASP A 2 1.918 -3.364 -1.032 1.00 63.21 C ATOM 27 C ASP A 2 1.775 -3.070 -2.518 1.00 61.05 C ATOM 28 O ASP A 2 0.759 -2.564 -3.003 1.00 35.33 O ATOM 29 CB ASP A 2 1.834 -2.092 -0.191 1.00 61.31 C ATOM 30 CG ASP A 2 0.513 -1.370 -0.308 1.00 41.23 C ATOM 31 OD1 ASP A 2 -0.520 -1.902 0.170 1.00 45.40 O ATOM 32 OD2 ASP A 2 0.481 -0.252 -0.853 1.00 74.23 O ATOM 0 H ASP A 2 2.991 -5.133 -0.572 1.00 5.22 H new ATOM 0 HA ASP A 2 1.073 -3.993 -0.751 1.00 63.21 H new ATOM 0 HB2 ASP A 2 2.007 -2.347 0.855 1.00 61.31 H new ATOM 0 HB3 ASP A 2 2.635 -1.416 -0.491 1.00 61.31 H new ATOM 37 N ILE A 3 2.777 -3.455 -3.237 1.00 22.12 N ATOM 38 CA ILE A 3 2.836 -3.320 -4.646 1.00 53.21 C ATOM 39 C ILE A 3 1.728 -4.128 -5.332 1.00 2.52 C ATOM 40 O ILE A 3 1.295 -3.803 -6.433 1.00 71.23 O ATOM 41 CB ILE A 3 4.230 -3.715 -5.194 1.00 21.44 C ATOM 42 CG1 ILE A 3 4.553 -5.248 -5.123 1.00 65.43 C ATOM 43 CG2 ILE A 3 5.318 -2.885 -4.528 1.00 41.33 C ATOM 44 CD1 ILE A 3 4.639 -5.857 -3.740 1.00 33.15 C ATOM 0 H ILE A 3 3.609 -3.890 -2.838 1.00 22.12 H new ATOM 0 HA ILE A 3 2.673 -2.267 -4.878 1.00 53.21 H new ATOM 0 HB ILE A 3 4.203 -3.489 -6.260 1.00 21.44 H new ATOM 0 HG12 ILE A 3 3.788 -5.784 -5.685 1.00 65.43 H new ATOM 0 HG13 ILE A 3 5.502 -5.421 -5.631 1.00 65.43 H new ATOM 0 HG21 ILE A 3 6.291 -3.175 -4.924 1.00 41.33 H new ATOM 0 HG22 ILE A 3 5.144 -1.828 -4.730 1.00 41.33 H new ATOM 0 HG23 ILE A 3 5.299 -3.056 -3.452 1.00 41.33 H new ATOM 0 HD11 ILE A 3 4.867 -6.920 -3.824 1.00 33.15 H new ATOM 0 HD12 ILE A 3 5.426 -5.361 -3.172 1.00 33.15 H new ATOM 0 HD13 ILE A 3 3.686 -5.730 -3.227 1.00 33.15 H new ATOM 56 N ASN A 4 1.235 -5.157 -4.657 1.00 43.30 N ATOM 57 CA ASN A 4 0.145 -5.923 -5.207 1.00 32.24 C ATOM 58 C ASN A 4 -1.170 -5.181 -5.021 1.00 31.21 C ATOM 59 O ASN A 4 -2.108 -5.358 -5.792 1.00 35.11 O ATOM 60 CB ASN A 4 0.073 -7.333 -4.639 1.00 61.32 C ATOM 61 CG ASN A 4 -1.049 -8.131 -5.273 1.00 63.14 C ATOM 62 OD1 ASN A 4 -2.162 -8.168 -4.763 1.00 11.11 O ATOM 63 ND2 ASN A 4 -0.777 -8.745 -6.397 1.00 73.32 N ATOM 0 H ASN A 4 1.570 -5.470 -3.746 1.00 43.30 H new ATOM 0 HA ASN A 4 0.334 -6.036 -6.275 1.00 32.24 H new ATOM 0 HB2 ASN A 4 1.022 -7.842 -4.806 1.00 61.32 H new ATOM 0 HB3 ASN A 4 -0.078 -7.285 -3.561 1.00 61.32 H new ATOM 0 HD21 ASN A 4 -1.504 -9.276 -6.877 1.00 73.32 H new ATOM 0 HD22 ASN A 4 0.162 -8.692 -6.793 1.00 73.32 H new ATOM 70 N THR A 5 -1.219 -4.294 -4.041 1.00 0.11 N ATOM 71 CA THR A 5 -2.387 -3.476 -3.838 1.00 20.41 C ATOM 72 C THR A 5 -2.436 -2.462 -4.973 1.00 62.03 C ATOM 73 O THR A 5 -3.495 -2.025 -5.393 1.00 4.51 O ATOM 74 CB THR A 5 -2.317 -2.727 -2.511 1.00 51.21 C ATOM 75 OG1 THR A 5 -1.787 -3.598 -1.500 1.00 64.03 O ATOM 76 CG2 THR A 5 -3.709 -2.272 -2.091 1.00 64.33 C ATOM 0 H THR A 5 -0.461 -4.128 -3.379 1.00 0.11 H new ATOM 0 HA THR A 5 -3.274 -4.109 -3.820 1.00 20.41 H new ATOM 0 HB THR A 5 -1.673 -1.856 -2.631 1.00 51.21 H new ATOM 0 HG1 THR A 5 -1.410 -3.062 -0.771 1.00 64.03 H new ATOM 0 HG21 THR A 5 -3.647 -1.739 -1.142 1.00 64.33 H new ATOM 0 HG22 THR A 5 -4.121 -1.610 -2.853 1.00 64.33 H new ATOM 0 HG23 THR A 5 -4.357 -3.141 -1.977 1.00 64.33 H new ATOM 84 N ILE A 6 -1.261 -2.128 -5.486 1.00 53.22 N ATOM 85 CA ILE A 6 -1.146 -1.251 -6.644 1.00 62.43 C ATOM 86 C ILE A 6 -1.726 -1.952 -7.857 1.00 71.51 C ATOM 87 O ILE A 6 -2.413 -1.342 -8.681 1.00 1.11 O ATOM 88 CB ILE A 6 0.327 -0.827 -6.902 1.00 5.34 C ATOM 89 CG1 ILE A 6 0.904 -0.197 -5.634 1.00 21.51 C ATOM 90 CG2 ILE A 6 0.434 0.139 -8.082 1.00 2.25 C ATOM 91 CD1 ILE A 6 0.016 0.869 -5.043 1.00 43.33 C ATOM 0 H ILE A 6 -0.368 -2.453 -5.116 1.00 53.22 H new ATOM 0 HA ILE A 6 -1.707 -0.338 -6.446 1.00 62.43 H new ATOM 0 HB ILE A 6 0.903 -1.716 -7.159 1.00 5.34 H new ATOM 0 HG12 ILE A 6 1.068 -0.977 -4.891 1.00 21.51 H new ATOM 0 HG13 ILE A 6 1.878 0.236 -5.862 1.00 21.51 H new ATOM 0 HG21 ILE A 6 1.478 0.414 -8.233 1.00 2.25 H new ATOM 0 HG22 ILE A 6 0.051 -0.342 -8.982 1.00 2.25 H new ATOM 0 HG23 ILE A 6 -0.151 1.035 -7.873 1.00 2.25 H new ATOM 0 HD11 ILE A 6 0.483 1.275 -4.146 1.00 43.33 H new ATOM 0 HD12 ILE A 6 -0.128 1.668 -5.771 1.00 43.33 H new ATOM 0 HD13 ILE A 6 -0.950 0.436 -4.784 1.00 43.33 H new ATOM 103 N LYS A 7 -1.515 -3.260 -7.920 1.00 75.35 N ATOM 104 CA LYS A 7 -2.096 -4.057 -8.969 1.00 22.42 C ATOM 105 C LYS A 7 -3.599 -4.114 -8.774 1.00 5.42 C ATOM 106 O LYS A 7 -4.349 -4.189 -9.733 1.00 32.45 O ATOM 107 CB LYS A 7 -1.513 -5.472 -8.974 1.00 21.22 C ATOM 108 CG LYS A 7 -0.007 -5.541 -9.212 1.00 52.33 C ATOM 109 CD LYS A 7 0.401 -4.961 -10.569 1.00 10.05 C ATOM 110 CE LYS A 7 -0.223 -5.718 -11.746 1.00 25.43 C ATOM 111 NZ LYS A 7 0.166 -7.146 -11.780 1.00 15.41 N ATOM 0 H LYS A 7 -0.946 -3.782 -7.254 1.00 75.35 H new ATOM 0 HA LYS A 7 -1.864 -3.597 -9.930 1.00 22.42 H new ATOM 0 HB2 LYS A 7 -1.738 -5.946 -8.019 1.00 21.22 H new ATOM 0 HB3 LYS A 7 -2.016 -6.055 -9.746 1.00 21.22 H new ATOM 0 HG2 LYS A 7 0.508 -4.998 -8.419 1.00 52.33 H new ATOM 0 HG3 LYS A 7 0.320 -6.579 -9.152 1.00 52.33 H new ATOM 0 HD2 LYS A 7 0.103 -3.914 -10.617 1.00 10.05 H new ATOM 0 HD3 LYS A 7 1.487 -4.988 -10.660 1.00 10.05 H new ATOM 0 HE2 LYS A 7 -1.309 -5.643 -11.686 1.00 25.43 H new ATOM 0 HE3 LYS A 7 0.078 -5.242 -12.679 1.00 25.43 H new ATOM 0 HZ1 LYS A 7 -0.185 -7.581 -12.657 1.00 15.41 H new ATOM 0 HZ2 LYS A 7 1.202 -7.224 -11.746 1.00 15.41 H new ATOM 0 HZ3 LYS A 7 -0.246 -7.638 -10.961 1.00 15.41 H new ATOM 125 N SER A 8 -4.023 -3.998 -7.525 1.00 60.43 N ATOM 126 CA SER A 8 -5.428 -4.046 -7.189 1.00 72.42 C ATOM 127 C SER A 8 -6.070 -2.756 -7.599 1.00 4.21 C ATOM 128 O SER A 8 -7.186 -2.763 -8.049 1.00 41.22 O ATOM 129 CB SER A 8 -5.644 -4.352 -5.686 1.00 51.13 C ATOM 130 OG SER A 8 -7.030 -4.404 -5.331 1.00 42.22 O ATOM 0 H SER A 8 -3.404 -3.869 -6.725 1.00 60.43 H new ATOM 0 HA SER A 8 -5.902 -4.863 -7.733 1.00 72.42 H new ATOM 0 HB2 SER A 8 -5.174 -5.304 -5.441 1.00 51.13 H new ATOM 0 HB3 SER A 8 -5.147 -3.588 -5.088 1.00 51.13 H new ATOM 0 HG SER A 8 -7.116 -4.601 -4.375 1.00 42.22 H new ATOM 136 N LEU A 9 -5.346 -1.654 -7.472 1.00 62.25 N ATOM 137 CA LEU A 9 -5.844 -0.372 -7.925 1.00 13.41 C ATOM 138 C LEU A 9 -6.143 -0.471 -9.399 1.00 33.43 C ATOM 139 O LEU A 9 -7.255 -0.223 -9.823 1.00 32.13 O ATOM 140 CB LEU A 9 -4.826 0.746 -7.664 1.00 71.25 C ATOM 141 CG LEU A 9 -4.420 0.957 -6.207 1.00 23.23 C ATOM 142 CD1 LEU A 9 -3.448 2.113 -6.083 1.00 1.12 C ATOM 143 CD2 LEU A 9 -5.643 1.188 -5.339 1.00 63.01 C ATOM 0 H LEU A 9 -4.414 -1.626 -7.059 1.00 62.25 H new ATOM 0 HA LEU A 9 -6.749 -0.123 -7.371 1.00 13.41 H new ATOM 0 HB2 LEU A 9 -3.927 0.534 -8.243 1.00 71.25 H new ATOM 0 HB3 LEU A 9 -5.238 1.681 -8.044 1.00 71.25 H new ATOM 0 HG LEU A 9 -3.920 0.054 -5.858 1.00 23.23 H new ATOM 0 HD11 LEU A 9 -3.172 2.246 -5.037 1.00 1.12 H new ATOM 0 HD12 LEU A 9 -2.554 1.901 -6.670 1.00 1.12 H new ATOM 0 HD13 LEU A 9 -3.918 3.025 -6.453 1.00 1.12 H new ATOM 0 HD21 LEU A 9 -5.332 1.336 -4.305 1.00 63.01 H new ATOM 0 HD22 LEU A 9 -6.175 2.073 -5.688 1.00 63.01 H new ATOM 0 HD23 LEU A 9 -6.301 0.321 -5.400 1.00 63.01 H new ATOM 155 N ARG A 10 -5.156 -0.923 -10.143 1.00 70.24 N ATOM 156 CA ARG A 10 -5.270 -1.123 -11.580 1.00 44.30 C ATOM 157 C ARG A 10 -6.435 -2.069 -11.930 1.00 72.03 C ATOM 158 O ARG A 10 -7.410 -1.659 -12.571 1.00 65.23 O ATOM 159 CB ARG A 10 -3.945 -1.672 -12.121 1.00 43.11 C ATOM 160 CG ARG A 10 -3.950 -2.008 -13.603 1.00 12.03 C ATOM 161 CD ARG A 10 -2.610 -2.489 -14.051 1.00 11.11 C ATOM 162 NE ARG A 10 -2.686 -2.969 -15.408 1.00 32.42 N ATOM 163 CZ ARG A 10 -1.691 -3.045 -16.263 1.00 40.05 C ATOM 164 NH1 ARG A 10 -0.457 -2.671 -15.919 1.00 34.03 N ATOM 165 NH2 ARG A 10 -1.923 -3.517 -17.464 1.00 72.42 N ATOM 0 H ARG A 10 -4.240 -1.166 -9.767 1.00 70.24 H new ATOM 0 HA ARG A 10 -5.485 -0.163 -12.049 1.00 44.30 H new ATOM 0 HB2 ARG A 10 -3.161 -0.939 -11.932 1.00 43.11 H new ATOM 0 HB3 ARG A 10 -3.684 -2.570 -11.560 1.00 43.11 H new ATOM 0 HG2 ARG A 10 -4.700 -2.774 -13.803 1.00 12.03 H new ATOM 0 HG3 ARG A 10 -4.234 -1.126 -14.178 1.00 12.03 H new ATOM 0 HD2 ARG A 10 -1.883 -1.680 -13.983 1.00 11.11 H new ATOM 0 HD3 ARG A 10 -2.262 -3.286 -13.394 1.00 11.11 H new ATOM 0 HE ARG A 10 -3.600 -3.280 -15.736 1.00 32.42 H new ATOM 0 HH11 ARG A 10 -0.274 -2.319 -14.979 1.00 34.03 H new ATOM 0 HH12 ARG A 10 0.303 -2.737 -16.596 1.00 34.03 H new ATOM 0 HH21 ARG A 10 -2.863 -3.818 -17.721 1.00 72.42 H new ATOM 0 HH22 ARG A 10 -1.163 -3.584 -18.141 1.00 72.42 H new ATOM 179 N VAL A 11 -6.360 -3.303 -11.450 1.00 34.00 N ATOM 180 CA VAL A 11 -7.354 -4.328 -11.765 1.00 71.52 C ATOM 181 C VAL A 11 -8.766 -3.902 -11.345 1.00 40.41 C ATOM 182 O VAL A 11 -9.731 -4.131 -12.073 1.00 61.42 O ATOM 183 CB VAL A 11 -6.980 -5.721 -11.149 1.00 31.22 C ATOM 184 CG1 VAL A 11 -8.064 -6.762 -11.409 1.00 53.11 C ATOM 185 CG2 VAL A 11 -5.657 -6.214 -11.722 1.00 32.42 C ATOM 0 H VAL A 11 -5.613 -3.624 -10.834 1.00 34.00 H new ATOM 0 HA VAL A 11 -7.351 -4.439 -12.849 1.00 71.52 H new ATOM 0 HB VAL A 11 -6.887 -5.586 -10.071 1.00 31.22 H new ATOM 0 HG11 VAL A 11 -7.768 -7.713 -10.967 1.00 53.11 H new ATOM 0 HG12 VAL A 11 -9.001 -6.430 -10.963 1.00 53.11 H new ATOM 0 HG13 VAL A 11 -8.198 -6.887 -12.483 1.00 53.11 H new ATOM 0 HG21 VAL A 11 -5.410 -7.182 -11.286 1.00 32.42 H new ATOM 0 HG22 VAL A 11 -5.744 -6.315 -12.804 1.00 32.42 H new ATOM 0 HG23 VAL A 11 -4.869 -5.498 -11.487 1.00 32.42 H new ATOM 195 N LEU A 12 -8.885 -3.215 -10.227 1.00 21.50 N ATOM 196 CA LEU A 12 -10.155 -2.809 -9.736 1.00 24.31 C ATOM 197 C LEU A 12 -10.690 -1.630 -10.519 1.00 62.24 C ATOM 198 O LEU A 12 -11.917 -1.484 -10.711 1.00 4.22 O ATOM 199 CB LEU A 12 -10.072 -2.550 -8.244 1.00 23.13 C ATOM 200 CG LEU A 12 -11.316 -2.108 -7.575 1.00 15.04 C ATOM 201 CD1 LEU A 12 -12.283 -3.265 -7.378 1.00 73.32 C ATOM 202 CD2 LEU A 12 -11.024 -1.375 -6.287 1.00 62.24 C ATOM 0 H LEU A 12 -8.097 -2.931 -9.646 1.00 21.50 H new ATOM 0 HA LEU A 12 -10.876 -3.614 -9.882 1.00 24.31 H new ATOM 0 HB2 LEU A 12 -9.731 -3.465 -7.759 1.00 23.13 H new ATOM 0 HB3 LEU A 12 -9.306 -1.794 -8.072 1.00 23.13 H new ATOM 0 HG LEU A 12 -11.811 -1.394 -8.234 1.00 15.04 H new ATOM 0 HD11 LEU A 12 -13.185 -2.905 -6.884 1.00 73.32 H new ATOM 0 HD12 LEU A 12 -12.545 -3.690 -8.347 1.00 73.32 H new ATOM 0 HD13 LEU A 12 -11.813 -4.031 -6.761 1.00 73.32 H new ATOM 0 HD21 LEU A 12 -11.961 -1.066 -5.824 1.00 62.24 H new ATOM 0 HD22 LEU A 12 -10.484 -2.034 -5.608 1.00 62.24 H new ATOM 0 HD23 LEU A 12 -10.416 -0.495 -6.499 1.00 62.24 H new ATOM 214 N ARG A 13 -9.790 -0.835 -11.016 1.00 42.42 N ATOM 215 CA ARG A 13 -10.160 0.284 -11.898 1.00 33.31 C ATOM 216 C ARG A 13 -10.462 -0.256 -13.291 1.00 31.43 C ATOM 217 O ARG A 13 -10.904 0.475 -14.178 1.00 52.14 O ATOM 218 CB ARG A 13 -9.073 1.372 -12.004 1.00 44.41 C ATOM 219 CG ARG A 13 -8.772 2.185 -10.737 1.00 74.15 C ATOM 220 CD ARG A 13 -9.728 3.357 -10.557 1.00 43.25 C ATOM 221 NE ARG A 13 -11.114 2.949 -10.395 1.00 71.53 N ATOM 222 CZ ARG A 13 -12.166 3.599 -10.891 1.00 73.52 C ATOM 223 NH1 ARG A 13 -12.009 4.718 -11.589 1.00 61.33 N ATOM 224 NH2 ARG A 13 -13.365 3.125 -10.686 1.00 11.43 N ATOM 0 H ARG A 13 -8.789 -0.922 -10.839 1.00 42.42 H new ATOM 0 HA ARG A 13 -11.037 0.756 -11.455 1.00 33.31 H new ATOM 0 HB2 ARG A 13 -8.148 0.895 -12.328 1.00 44.41 H new ATOM 0 HB3 ARG A 13 -9.366 2.067 -12.791 1.00 44.41 H new ATOM 0 HG2 ARG A 13 -8.834 1.532 -9.866 1.00 74.15 H new ATOM 0 HG3 ARG A 13 -7.749 2.558 -10.783 1.00 74.15 H new ATOM 0 HD2 ARG A 13 -9.423 3.935 -9.685 1.00 43.25 H new ATOM 0 HD3 ARG A 13 -9.649 4.017 -11.421 1.00 43.25 H new ATOM 0 HE ARG A 13 -11.295 2.099 -9.860 1.00 71.53 H new ATOM 0 HH11 ARG A 13 -11.074 5.091 -11.752 1.00 61.33 H new ATOM 0 HH12 ARG A 13 -12.824 5.205 -11.963 1.00 61.33 H new ATOM 0 HH21 ARG A 13 -13.489 2.266 -10.151 1.00 11.43 H new ATOM 0 HH22 ARG A 13 -14.178 3.614 -11.061 1.00 11.43 H new ATOM 238 N VAL A 14 -10.217 -1.535 -13.486 1.00 25.55 N ATOM 239 CA VAL A 14 -10.541 -2.171 -14.744 1.00 51.31 C ATOM 240 C VAL A 14 -11.873 -2.910 -14.629 1.00 64.54 C ATOM 241 O VAL A 14 -12.862 -2.556 -15.291 1.00 10.20 O ATOM 242 CB VAL A 14 -9.419 -3.149 -15.232 1.00 14.03 C ATOM 243 CG1 VAL A 14 -9.838 -3.882 -16.500 1.00 33.43 C ATOM 244 CG2 VAL A 14 -8.128 -2.392 -15.495 1.00 24.20 C ATOM 0 H VAL A 14 -9.796 -2.152 -12.792 1.00 25.55 H new ATOM 0 HA VAL A 14 -10.622 -1.382 -15.492 1.00 51.31 H new ATOM 0 HB VAL A 14 -9.257 -3.881 -14.440 1.00 14.03 H new ATOM 0 HG11 VAL A 14 -9.038 -4.553 -16.813 1.00 33.43 H new ATOM 0 HG12 VAL A 14 -10.741 -4.460 -16.304 1.00 33.43 H new ATOM 0 HG13 VAL A 14 -10.035 -3.158 -17.291 1.00 33.43 H new ATOM 0 HG21 VAL A 14 -7.360 -3.088 -15.833 1.00 24.20 H new ATOM 0 HG22 VAL A 14 -8.298 -1.638 -16.264 1.00 24.20 H new ATOM 0 HG23 VAL A 14 -7.798 -1.906 -14.577 1.00 24.20 H new ATOM 254 N LEU A 15 -11.926 -3.883 -13.741 1.00 24.52 N ATOM 255 CA LEU A 15 -13.088 -4.744 -13.630 1.00 33.32 C ATOM 256 C LEU A 15 -14.359 -4.088 -13.106 1.00 73.35 C ATOM 257 O LEU A 15 -15.448 -4.578 -13.370 1.00 61.42 O ATOM 258 CB LEU A 15 -12.784 -6.120 -12.983 1.00 73.20 C ATOM 259 CG LEU A 15 -12.063 -6.150 -11.628 1.00 72.41 C ATOM 260 CD1 LEU A 15 -12.885 -5.502 -10.548 1.00 0.24 C ATOM 261 CD2 LEU A 15 -11.729 -7.574 -11.253 1.00 1.15 C ATOM 0 H LEU A 15 -11.176 -4.098 -13.084 1.00 24.52 H new ATOM 0 HA LEU A 15 -13.335 -4.952 -14.671 1.00 33.32 H new ATOM 0 HB2 LEU A 15 -13.731 -6.648 -12.866 1.00 73.20 H new ATOM 0 HB3 LEU A 15 -12.185 -6.693 -13.690 1.00 73.20 H new ATOM 0 HG LEU A 15 -11.140 -5.578 -11.725 1.00 72.41 H new ATOM 0 HD11 LEU A 15 -12.342 -5.542 -9.604 1.00 0.24 H new ATOM 0 HD12 LEU A 15 -13.077 -4.462 -10.812 1.00 0.24 H new ATOM 0 HD13 LEU A 15 -13.832 -6.031 -10.445 1.00 0.24 H new ATOM 0 HD21 LEU A 15 -11.218 -7.586 -10.290 1.00 1.15 H new ATOM 0 HD22 LEU A 15 -12.647 -8.157 -11.184 1.00 1.15 H new ATOM 0 HD23 LEU A 15 -11.080 -8.008 -12.014 1.00 1.15 H new ATOM 273 N ARG A 16 -14.250 -3.004 -12.373 1.00 51.22 N ATOM 274 CA ARG A 16 -15.467 -2.350 -11.911 1.00 12.02 C ATOM 275 C ARG A 16 -16.071 -1.402 -12.948 1.00 51.14 C ATOM 276 O ARG A 16 -17.158 -1.676 -13.445 1.00 63.54 O ATOM 277 CB ARG A 16 -15.334 -1.680 -10.534 1.00 5.24 C ATOM 278 CG ARG A 16 -15.041 -2.644 -9.416 1.00 4.43 C ATOM 279 CD ARG A 16 -16.095 -3.710 -9.299 1.00 24.11 C ATOM 280 NE ARG A 16 -15.798 -4.571 -8.181 1.00 44.45 N ATOM 281 CZ ARG A 16 -15.852 -5.890 -8.192 1.00 13.11 C ATOM 282 NH1 ARG A 16 -16.310 -6.546 -9.255 1.00 22.43 N ATOM 283 NH2 ARG A 16 -15.462 -6.552 -7.132 1.00 70.02 N ATOM 0 H ARG A 16 -13.374 -2.566 -12.089 1.00 51.22 H new ATOM 0 HA ARG A 16 -16.176 -3.167 -11.777 1.00 12.02 H new ATOM 0 HB2 ARG A 16 -14.539 -0.936 -10.578 1.00 5.24 H new ATOM 0 HB3 ARG A 16 -16.258 -1.147 -10.309 1.00 5.24 H new ATOM 0 HG2 ARG A 16 -14.071 -3.111 -9.585 1.00 4.43 H new ATOM 0 HG3 ARG A 16 -14.972 -2.098 -8.475 1.00 4.43 H new ATOM 0 HD2 ARG A 16 -17.075 -3.252 -9.166 1.00 24.11 H new ATOM 0 HD3 ARG A 16 -16.138 -4.294 -10.218 1.00 24.11 H new ATOM 0 HE ARG A 16 -15.523 -4.123 -7.307 1.00 44.45 H new ATOM 0 HH11 ARG A 16 -16.625 -6.030 -10.076 1.00 22.43 H new ATOM 0 HH12 ARG A 16 -16.346 -7.565 -9.249 1.00 22.43 H new ATOM 0 HH21 ARG A 16 -15.122 -6.048 -6.313 1.00 70.02 H new ATOM 0 HH22 ARG A 16 -15.498 -7.571 -7.126 1.00 70.02 H new ATOM 297 N PRO A 17 -15.352 -0.336 -13.385 1.00 42.23 N ATOM 298 CA PRO A 17 -15.947 0.690 -14.227 1.00 4.30 C ATOM 299 C PRO A 17 -16.239 0.177 -15.606 1.00 15.34 C ATOM 300 O PRO A 17 -17.246 0.539 -16.213 1.00 31.32 O ATOM 301 CB PRO A 17 -14.880 1.792 -14.296 1.00 54.43 C ATOM 302 CG PRO A 17 -13.841 1.396 -13.315 1.00 12.51 C ATOM 303 CD PRO A 17 -13.928 -0.084 -13.200 1.00 51.12 C ATOM 0 HA PRO A 17 -16.899 1.035 -13.824 1.00 4.30 H new ATOM 0 HB2 PRO A 17 -14.462 1.872 -15.300 1.00 54.43 H new ATOM 0 HB3 PRO A 17 -15.304 2.765 -14.048 1.00 54.43 H new ATOM 0 HG2 PRO A 17 -12.851 1.704 -13.650 1.00 12.51 H new ATOM 0 HG3 PRO A 17 -14.013 1.873 -12.350 1.00 12.51 H new ATOM 0 HD2 PRO A 17 -13.326 -0.585 -13.958 1.00 51.12 H new ATOM 0 HD3 PRO A 17 -13.577 -0.436 -12.230 1.00 51.12 H new ATOM 311 N LEU A 18 -15.397 -0.728 -16.089 1.00 50.22 N ATOM 312 CA LEU A 18 -15.561 -1.190 -17.413 1.00 50.11 C ATOM 313 C LEU A 18 -16.657 -2.180 -17.512 1.00 14.21 C ATOM 314 O LEU A 18 -17.271 -2.293 -18.530 1.00 62.33 O ATOM 315 CB LEU A 18 -14.321 -1.767 -17.968 1.00 0.03 C ATOM 316 CG LEU A 18 -13.123 -0.827 -18.062 1.00 21.32 C ATOM 317 CD1 LEU A 18 -11.984 -1.530 -18.715 1.00 2.21 C ATOM 318 CD2 LEU A 18 -13.457 0.448 -18.821 1.00 62.23 C ATOM 0 H LEU A 18 -14.615 -1.135 -15.576 1.00 50.22 H new ATOM 0 HA LEU A 18 -15.820 -0.313 -18.006 1.00 50.11 H new ATOM 0 HB2 LEU A 18 -14.037 -2.623 -17.355 1.00 0.03 H new ATOM 0 HB3 LEU A 18 -14.537 -2.147 -18.966 1.00 0.03 H new ATOM 0 HG LEU A 18 -12.845 -0.538 -17.048 1.00 21.32 H new ATOM 0 HD11 LEU A 18 -11.130 -0.856 -18.781 1.00 2.21 H new ATOM 0 HD12 LEU A 18 -11.711 -2.405 -18.126 1.00 2.21 H new ATOM 0 HD13 LEU A 18 -12.276 -1.844 -19.717 1.00 2.21 H new ATOM 0 HD21 LEU A 18 -12.575 1.088 -18.864 1.00 62.23 H new ATOM 0 HD22 LEU A 18 -13.772 0.197 -19.834 1.00 62.23 H new ATOM 0 HD23 LEU A 18 -14.263 0.975 -18.310 1.00 62.23 H new ATOM 330 N LYS A 19 -16.919 -2.888 -16.453 1.00 32.32 N ATOM 331 CA LYS A 19 -17.996 -3.849 -16.479 1.00 54.03 C ATOM 332 C LYS A 19 -19.290 -3.179 -16.347 1.00 63.34 C ATOM 333 O LYS A 19 -20.268 -3.590 -16.968 1.00 1.22 O ATOM 334 CB LYS A 19 -17.803 -5.024 -15.528 1.00 12.33 C ATOM 335 CG LYS A 19 -16.908 -6.140 -16.079 1.00 23.34 C ATOM 336 CD LYS A 19 -15.527 -5.655 -16.503 1.00 23.22 C ATOM 337 CE LYS A 19 -14.724 -6.777 -17.127 1.00 24.13 C ATOM 338 NZ LYS A 19 -13.389 -6.336 -17.582 1.00 63.55 N ATOM 0 H LYS A 19 -16.413 -2.825 -15.569 1.00 32.32 H new ATOM 0 HA LYS A 19 -17.980 -4.322 -17.461 1.00 54.03 H new ATOM 0 HB2 LYS A 19 -17.373 -4.656 -14.597 1.00 12.33 H new ATOM 0 HB3 LYS A 19 -18.779 -5.444 -15.285 1.00 12.33 H new ATOM 0 HG2 LYS A 19 -16.796 -6.914 -15.320 1.00 23.34 H new ATOM 0 HG3 LYS A 19 -17.401 -6.602 -16.934 1.00 23.34 H new ATOM 0 HD2 LYS A 19 -15.628 -4.836 -17.215 1.00 23.22 H new ATOM 0 HD3 LYS A 19 -14.995 -5.260 -15.637 1.00 23.22 H new ATOM 0 HE2 LYS A 19 -14.609 -7.583 -16.402 1.00 24.13 H new ATOM 0 HE3 LYS A 19 -15.275 -7.186 -17.974 1.00 24.13 H new ATOM 0 HZ1 LYS A 19 -12.881 -7.141 -18.001 1.00 63.55 H new ATOM 0 HZ2 LYS A 19 -13.495 -5.586 -18.294 1.00 63.55 H new ATOM 0 HZ3 LYS A 19 -12.849 -5.970 -16.772 1.00 63.55 H new ATOM 352 N THR A 20 -19.283 -2.126 -15.607 1.00 41.43 N ATOM 353 CA THR A 20 -20.408 -1.285 -15.501 1.00 63.40 C ATOM 354 C THR A 20 -20.782 -0.681 -16.895 1.00 34.10 C ATOM 355 O THR A 20 -21.949 -0.653 -17.268 1.00 62.25 O ATOM 356 CB THR A 20 -20.121 -0.175 -14.493 1.00 63.34 C ATOM 357 OG1 THR A 20 -19.878 -0.752 -13.196 1.00 1.31 O ATOM 358 CG2 THR A 20 -21.279 0.749 -14.423 1.00 52.10 C ATOM 0 H THR A 20 -18.481 -1.826 -15.053 1.00 41.43 H new ATOM 0 HA THR A 20 -21.258 -1.872 -15.153 1.00 63.40 H new ATOM 0 HB THR A 20 -19.239 0.381 -14.810 1.00 63.34 H new ATOM 0 HG1 THR A 20 -18.960 -1.094 -13.157 1.00 1.31 H new ATOM 0 HG21 THR A 20 -21.070 1.540 -13.703 1.00 52.10 H new ATOM 0 HG22 THR A 20 -21.453 1.189 -15.405 1.00 52.10 H new ATOM 0 HG23 THR A 20 -22.166 0.198 -14.110 1.00 52.10 H new ATOM 366 N ILE A 21 -19.788 -0.240 -17.660 1.00 54.53 N ATOM 367 CA ILE A 21 -20.066 0.350 -18.969 1.00 63.31 C ATOM 368 C ILE A 21 -20.201 -0.677 -20.097 1.00 5.33 C ATOM 369 O ILE A 21 -21.180 -0.642 -20.857 1.00 41.13 O ATOM 370 CB ILE A 21 -19.099 1.496 -19.358 1.00 11.21 C ATOM 371 CG1 ILE A 21 -17.650 1.020 -19.301 1.00 1.43 C ATOM 372 CG2 ILE A 21 -19.316 2.696 -18.441 1.00 44.34 C ATOM 373 CD1 ILE A 21 -16.639 2.024 -19.775 1.00 73.42 C ATOM 0 H ILE A 21 -18.801 -0.277 -17.405 1.00 54.53 H new ATOM 0 HA ILE A 21 -21.050 0.803 -18.844 1.00 63.31 H new ATOM 0 HB ILE A 21 -19.310 1.802 -20.383 1.00 11.21 H new ATOM 0 HG12 ILE A 21 -17.413 0.744 -18.274 1.00 1.43 H new ATOM 0 HG13 ILE A 21 -17.555 0.117 -19.904 1.00 1.43 H new ATOM 0 HG21 ILE A 21 -18.632 3.497 -18.722 1.00 44.34 H new ATOM 0 HG22 ILE A 21 -20.344 3.046 -18.537 1.00 44.34 H new ATOM 0 HG23 ILE A 21 -19.128 2.403 -17.408 1.00 44.34 H new ATOM 0 HD11 ILE A 21 -15.639 1.597 -19.698 1.00 73.42 H new ATOM 0 HD12 ILE A 21 -16.844 2.284 -20.814 1.00 73.42 H new ATOM 0 HD13 ILE A 21 -16.700 2.920 -19.158 1.00 73.42 H new ATOM 385 N LYS A 22 -19.246 -1.586 -20.211 1.00 55.04 N ATOM 386 CA LYS A 22 -19.293 -2.629 -21.259 1.00 44.43 C ATOM 387 C LYS A 22 -20.531 -3.524 -21.182 1.00 30.52 C ATOM 388 O LYS A 22 -20.939 -4.081 -22.205 1.00 53.45 O ATOM 389 CB LYS A 22 -18.035 -3.521 -21.312 1.00 32.51 C ATOM 390 CG LYS A 22 -16.840 -2.979 -22.107 1.00 40.15 C ATOM 391 CD LYS A 22 -16.194 -1.760 -21.484 1.00 55.31 C ATOM 392 CE LYS A 22 -14.926 -1.363 -22.234 1.00 60.11 C ATOM 393 NZ LYS A 22 -13.942 -2.479 -22.306 1.00 62.05 N ATOM 0 H LYS A 22 -18.429 -1.635 -19.602 1.00 55.04 H new ATOM 0 HA LYS A 22 -19.341 -2.047 -22.179 1.00 44.43 H new ATOM 0 HB2 LYS A 22 -17.707 -3.708 -20.289 1.00 32.51 H new ATOM 0 HB3 LYS A 22 -18.318 -4.484 -21.737 1.00 32.51 H new ATOM 0 HG2 LYS A 22 -16.092 -3.766 -22.203 1.00 40.15 H new ATOM 0 HG3 LYS A 22 -17.170 -2.729 -23.115 1.00 40.15 H new ATOM 0 HD2 LYS A 22 -16.899 -0.929 -21.490 1.00 55.31 H new ATOM 0 HD3 LYS A 22 -15.953 -1.966 -20.441 1.00 55.31 H new ATOM 0 HE2 LYS A 22 -15.187 -1.046 -23.244 1.00 60.11 H new ATOM 0 HE3 LYS A 22 -14.466 -0.507 -21.740 1.00 60.11 H new ATOM 0 HZ1 LYS A 22 -12.996 -2.096 -22.506 1.00 62.05 H new ATOM 0 HZ2 LYS A 22 -13.925 -2.986 -21.398 1.00 62.05 H new ATOM 0 HZ3 LYS A 22 -14.217 -3.136 -23.064 1.00 62.05 H new ATOM 407 N ARG A 23 -21.154 -3.643 -19.993 1.00 11.40 N ATOM 408 CA ARG A 23 -22.330 -4.522 -19.834 1.00 21.03 C ATOM 409 C ARG A 23 -23.497 -4.094 -20.716 1.00 55.03 C ATOM 410 O ARG A 23 -24.377 -4.899 -21.005 1.00 50.15 O ATOM 411 CB ARG A 23 -22.793 -4.640 -18.371 1.00 1.50 C ATOM 412 CG ARG A 23 -23.369 -3.369 -17.777 1.00 31.11 C ATOM 413 CD ARG A 23 -23.717 -3.543 -16.308 1.00 12.53 C ATOM 414 NE ARG A 23 -24.712 -4.600 -16.094 1.00 35.02 N ATOM 415 CZ ARG A 23 -25.368 -4.829 -14.947 1.00 13.35 C ATOM 416 NH1 ARG A 23 -25.128 -4.095 -13.867 1.00 10.11 N ATOM 417 NH2 ARG A 23 -26.262 -5.802 -14.890 1.00 31.10 N ATOM 0 H ARG A 23 -20.870 -3.153 -19.145 1.00 11.40 H new ATOM 0 HA ARG A 23 -21.997 -5.507 -20.160 1.00 21.03 H new ATOM 0 HB2 ARG A 23 -23.545 -5.427 -18.306 1.00 1.50 H new ATOM 0 HB3 ARG A 23 -21.946 -4.957 -17.762 1.00 1.50 H new ATOM 0 HG2 ARG A 23 -22.650 -2.557 -17.887 1.00 31.11 H new ATOM 0 HG3 ARG A 23 -24.262 -3.081 -18.331 1.00 31.11 H new ATOM 0 HD2 ARG A 23 -22.812 -3.780 -15.748 1.00 12.53 H new ATOM 0 HD3 ARG A 23 -24.099 -2.602 -15.913 1.00 12.53 H new ATOM 0 HE ARG A 23 -24.922 -5.211 -16.883 1.00 35.02 H new ATOM 0 HH11 ARG A 23 -24.437 -3.346 -13.903 1.00 10.11 H new ATOM 0 HH12 ARG A 23 -25.635 -4.281 -13.001 1.00 10.11 H new ATOM 0 HH21 ARG A 23 -26.448 -6.372 -15.715 1.00 31.10 H new ATOM 0 HH22 ARG A 23 -26.765 -5.982 -14.021 1.00 31.10 H new ATOM 431 N LEU A 24 -23.510 -2.835 -21.134 1.00 23.34 N ATOM 432 CA LEU A 24 -24.560 -2.361 -22.011 1.00 31.00 C ATOM 433 C LEU A 24 -24.457 -3.007 -23.416 1.00 43.40 C ATOM 434 O LEU A 24 -25.325 -3.796 -23.773 1.00 32.41 O ATOM 435 CB LEU A 24 -24.681 -0.805 -22.067 1.00 21.02 C ATOM 436 CG LEU A 24 -25.241 -0.070 -20.832 1.00 32.34 C ATOM 437 CD1 LEU A 24 -24.321 -0.192 -19.631 1.00 34.31 C ATOM 438 CD2 LEU A 24 -25.480 1.392 -21.163 1.00 24.43 C ATOM 0 H LEU A 24 -22.813 -2.135 -20.881 1.00 23.34 H new ATOM 0 HA LEU A 24 -25.499 -2.693 -21.568 1.00 31.00 H new ATOM 0 HB2 LEU A 24 -23.689 -0.402 -22.273 1.00 21.02 H new ATOM 0 HB3 LEU A 24 -25.311 -0.551 -22.919 1.00 21.02 H new ATOM 0 HG LEU A 24 -26.187 -0.543 -20.567 1.00 32.34 H new ATOM 0 HD11 LEU A 24 -24.755 0.340 -18.785 1.00 34.31 H new ATOM 0 HD12 LEU A 24 -24.197 -1.244 -19.373 1.00 34.31 H new ATOM 0 HD13 LEU A 24 -23.349 0.240 -19.872 1.00 34.31 H new ATOM 0 HD21 LEU A 24 -25.875 1.904 -20.286 1.00 24.43 H new ATOM 0 HD22 LEU A 24 -24.540 1.856 -21.461 1.00 24.43 H new ATOM 0 HD23 LEU A 24 -26.197 1.467 -21.981 1.00 24.43 H new ATOM 450 N PRO A 25 -23.385 -2.746 -24.230 1.00 42.03 N ATOM 451 CA PRO A 25 -23.277 -3.349 -25.551 1.00 73.14 C ATOM 452 C PRO A 25 -22.546 -4.692 -25.545 1.00 3.51 C ATOM 453 O PRO A 25 -22.073 -5.171 -26.589 1.00 13.13 O ATOM 454 CB PRO A 25 -22.509 -2.304 -26.340 1.00 24.44 C ATOM 455 CG PRO A 25 -21.597 -1.666 -25.343 1.00 42.44 C ATOM 456 CD PRO A 25 -22.240 -1.832 -23.983 1.00 73.51 C ATOM 0 HA PRO A 25 -24.254 -3.590 -25.971 1.00 73.14 H new ATOM 0 HB2 PRO A 25 -21.947 -2.759 -27.156 1.00 24.44 H new ATOM 0 HB3 PRO A 25 -23.182 -1.572 -26.786 1.00 24.44 H new ATOM 0 HG2 PRO A 25 -20.614 -2.136 -25.364 1.00 42.44 H new ATOM 0 HG3 PRO A 25 -21.451 -0.611 -25.574 1.00 42.44 H new ATOM 0 HD2 PRO A 25 -21.541 -2.255 -23.261 1.00 73.51 H new ATOM 0 HD3 PRO A 25 -22.574 -0.875 -23.581 1.00 73.51 H new ATOM 464 N LYS A 26 -22.439 -5.287 -24.384 1.00 24.44 N ATOM 465 CA LYS A 26 -21.846 -6.579 -24.254 1.00 44.11 C ATOM 466 C LYS A 26 -22.696 -7.625 -24.947 1.00 53.12 C ATOM 467 O LYS A 26 -23.937 -7.598 -24.866 1.00 75.10 O ATOM 468 CB LYS A 26 -21.661 -6.967 -22.785 1.00 63.04 C ATOM 469 CG LYS A 26 -20.982 -8.299 -22.633 1.00 21.55 C ATOM 470 CD LYS A 26 -20.811 -8.722 -21.197 1.00 54.51 C ATOM 471 CE LYS A 26 -20.145 -10.088 -21.118 1.00 44.24 C ATOM 472 NZ LYS A 26 -20.950 -11.148 -21.788 1.00 34.10 N ATOM 0 H LYS A 26 -22.763 -4.883 -23.506 1.00 24.44 H new ATOM 0 HA LYS A 26 -20.865 -6.535 -24.726 1.00 44.11 H new ATOM 0 HB2 LYS A 26 -21.073 -6.201 -22.280 1.00 63.04 H new ATOM 0 HB3 LYS A 26 -22.633 -6.998 -22.294 1.00 63.04 H new ATOM 0 HG2 LYS A 26 -21.562 -9.056 -23.161 1.00 21.55 H new ATOM 0 HG3 LYS A 26 -20.003 -8.256 -23.111 1.00 21.55 H new ATOM 0 HD2 LYS A 26 -20.209 -7.986 -20.665 1.00 54.51 H new ATOM 0 HD3 LYS A 26 -21.782 -8.756 -20.704 1.00 54.51 H new ATOM 0 HE2 LYS A 26 -19.159 -10.037 -21.580 1.00 44.24 H new ATOM 0 HE3 LYS A 26 -19.993 -10.356 -20.072 1.00 44.24 H new ATOM 0 HZ1 LYS A 26 -20.510 -12.075 -21.622 1.00 34.10 H new ATOM 0 HZ2 LYS A 26 -21.915 -11.148 -21.400 1.00 34.10 H new ATOM 0 HZ3 LYS A 26 -20.988 -10.961 -22.810 1.00 34.10 H new ATOM 486 N LEU A 27 -22.040 -8.512 -25.651 1.00 2.23 N ATOM 487 CA LEU A 27 -22.699 -9.619 -26.263 1.00 45.32 C ATOM 488 C LEU A 27 -23.068 -10.612 -25.175 1.00 3.53 C ATOM 489 O LEU A 27 -22.190 -11.216 -24.528 1.00 72.31 O ATOM 490 CB LEU A 27 -21.799 -10.274 -27.317 1.00 34.42 C ATOM 491 CG LEU A 27 -21.355 -9.379 -28.483 1.00 53.32 C ATOM 492 CD1 LEU A 27 -20.433 -10.143 -29.418 1.00 0.42 C ATOM 493 CD2 LEU A 27 -22.562 -8.843 -29.249 1.00 73.14 C ATOM 0 H LEU A 27 -21.033 -8.480 -25.811 1.00 2.23 H new ATOM 0 HA LEU A 27 -23.599 -9.278 -26.774 1.00 45.32 H new ATOM 0 HB2 LEU A 27 -20.907 -10.653 -26.818 1.00 34.42 H new ATOM 0 HB3 LEU A 27 -22.325 -11.136 -27.728 1.00 34.42 H new ATOM 0 HG LEU A 27 -20.809 -8.531 -28.070 1.00 53.32 H new ATOM 0 HD11 LEU A 27 -20.128 -9.494 -30.239 1.00 0.42 H new ATOM 0 HD12 LEU A 27 -19.551 -10.473 -28.869 1.00 0.42 H new ATOM 0 HD13 LEU A 27 -20.958 -11.011 -29.818 1.00 0.42 H new ATOM 0 HD21 LEU A 27 -22.221 -8.212 -30.070 1.00 73.14 H new ATOM 0 HD22 LEU A 27 -23.139 -9.677 -29.648 1.00 73.14 H new ATOM 0 HD23 LEU A 27 -23.189 -8.257 -28.577 1.00 73.14 H new ATOM 505 N LYS A 28 -24.329 -10.713 -24.921 1.00 61.50 N ATOM 506 CA LYS A 28 -24.854 -11.605 -23.936 1.00 22.01 C ATOM 507 C LYS A 28 -25.763 -12.589 -24.631 1.00 30.41 C ATOM 508 O LYS A 28 -25.327 -13.718 -24.900 1.00 24.13 O ATOM 509 CB LYS A 28 -25.614 -10.829 -22.849 1.00 63.02 C ATOM 510 CG LYS A 28 -26.118 -11.710 -21.714 1.00 30.01 C ATOM 511 CD LYS A 28 -26.815 -10.936 -20.580 1.00 71.42 C ATOM 512 CE LYS A 28 -28.252 -10.485 -20.898 1.00 14.05 C ATOM 513 NZ LYS A 28 -28.362 -9.444 -21.947 1.00 0.10 N ATOM 514 OXT LYS A 28 -26.896 -12.204 -24.995 1.00 0.00 O ATOM 0 H LYS A 28 -25.042 -10.166 -25.403 1.00 61.50 H new ATOM 0 HA LYS A 28 -24.041 -12.137 -23.443 1.00 22.01 H new ATOM 0 HB2 LYS A 28 -24.960 -10.060 -22.438 1.00 63.02 H new ATOM 0 HB3 LYS A 28 -26.461 -10.317 -23.305 1.00 63.02 H new ATOM 0 HG2 LYS A 28 -26.814 -12.444 -22.120 1.00 30.01 H new ATOM 0 HG3 LYS A 28 -25.277 -12.264 -21.298 1.00 30.01 H new ATOM 0 HD2 LYS A 28 -26.834 -11.563 -19.689 1.00 71.42 H new ATOM 0 HD3 LYS A 28 -26.218 -10.057 -20.338 1.00 71.42 H new ATOM 0 HE2 LYS A 28 -28.830 -11.355 -21.209 1.00 14.05 H new ATOM 0 HE3 LYS A 28 -28.710 -10.108 -19.983 1.00 14.05 H new ATOM 0 HZ1 LYS A 28 -29.148 -8.803 -21.718 1.00 0.10 H new ATOM 0 HZ2 LYS A 28 -27.475 -8.902 -21.993 1.00 0.10 H new ATOM 0 HZ3 LYS A 28 -28.540 -9.895 -22.867 1.00 0.10 H new TER 528 LYS A 28