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+ 140:sc= 0.0383 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc=-0.00965 X(o=-0.0097,f=-0.064) USER MOD Single : A 5 THR OG1 : rot 60:sc= 0.58 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0.784 (180deg=0.784) USER MOD Single : A 8 SER OG : rot 63:sc= 0.408 USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0782) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.0167 (180deg=-0.163) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc=-0.00148 (180deg=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 6.153 0.752 -1.351 1.00 40.41 N ATOM 2 CA LYS A 1 4.769 0.402 -1.636 1.00 4.11 C ATOM 3 C LYS A 1 4.734 -1.090 -1.845 1.00 22.52 C ATOM 4 O LYS A 1 5.559 -1.618 -2.592 1.00 44.14 O ATOM 5 CB LYS A 1 4.288 1.116 -2.914 1.00 50.12 C ATOM 6 CG LYS A 1 2.787 1.049 -3.145 1.00 41.53 C ATOM 7 CD LYS A 1 2.044 1.903 -2.129 1.00 14.44 C ATOM 8 CE LYS A 1 0.544 1.746 -2.258 1.00 21.03 C ATOM 9 NZ LYS A 1 -0.183 2.630 -1.323 1.00 33.04 N ATOM 0 H1 LYS A 1 6.393 1.641 -1.834 1.00 40.41 H new ATOM 0 H2 LYS A 1 6.277 0.871 -0.325 1.00 40.41 H new ATOM 0 H3 LYS A 1 6.780 -0.006 -1.690 1.00 40.41 H new ATOM 0 HA LYS A 1 4.117 0.706 -0.817 1.00 4.11 H new ATOM 0 HB2 LYS A 1 4.589 2.162 -2.866 1.00 50.12 H new ATOM 0 HB3 LYS A 1 4.795 0.677 -3.773 1.00 50.12 H new ATOM 0 HG2 LYS A 1 2.554 1.391 -4.153 1.00 41.53 H new ATOM 0 HG3 LYS A 1 2.450 0.015 -3.073 1.00 41.53 H new ATOM 0 HD2 LYS A 1 2.354 1.624 -1.122 1.00 14.44 H new ATOM 0 HD3 LYS A 1 2.314 2.950 -2.267 1.00 14.44 H new ATOM 0 HE2 LYS A 1 0.242 1.971 -3.281 1.00 21.03 H new ATOM 0 HE3 LYS A 1 0.269 0.709 -2.066 1.00 21.03 H new ATOM 0 HZ1 LYS A 1 -1.207 2.493 -1.442 1.00 33.04 H new ATOM 0 HZ2 LYS A 1 0.086 2.398 -0.346 1.00 33.04 H new ATOM 0 HZ3 LYS A 1 0.060 3.621 -1.523 1.00 33.04 H new ATOM 25 N ASP A 2 3.795 -1.772 -1.228 1.00 32.51 N ATOM 26 CA ASP A 2 3.767 -3.221 -1.294 1.00 45.43 C ATOM 27 C ASP A 2 3.398 -3.693 -2.669 1.00 52.03 C ATOM 28 O ASP A 2 2.438 -3.206 -3.278 1.00 22.43 O ATOM 29 CB ASP A 2 2.854 -3.821 -0.240 1.00 4.43 C ATOM 30 CG ASP A 2 2.748 -5.323 -0.331 1.00 42.14 C ATOM 31 OD1 ASP A 2 3.565 -6.025 0.286 1.00 22.43 O ATOM 32 OD2 ASP A 2 1.830 -5.818 -1.010 1.00 31.34 O ATOM 0 H ASP A 2 3.045 -1.353 -0.678 1.00 32.51 H new ATOM 0 HA ASP A 2 4.776 -3.573 -1.078 1.00 45.43 H new ATOM 0 HB2 ASP A 2 3.223 -3.549 0.749 1.00 4.43 H new ATOM 0 HB3 ASP A 2 1.859 -3.386 -0.340 1.00 4.43 H new ATOM 37 N ILE A 3 4.169 -4.632 -3.139 1.00 14.32 N ATOM 38 CA ILE A 3 4.094 -5.165 -4.449 1.00 53.10 C ATOM 39 C ILE A 3 2.738 -5.787 -4.789 1.00 52.24 C ATOM 40 O ILE A 3 2.284 -5.679 -5.926 1.00 52.22 O ATOM 41 CB ILE A 3 5.251 -6.162 -4.727 1.00 1.21 C ATOM 42 CG1 ILE A 3 5.178 -7.485 -3.899 1.00 22.12 C ATOM 43 CG2 ILE A 3 6.603 -5.478 -4.552 1.00 14.00 C ATOM 44 CD1 ILE A 3 5.359 -7.355 -2.399 1.00 13.13 C ATOM 0 H ILE A 3 4.904 -5.063 -2.579 1.00 14.32 H new ATOM 0 HA ILE A 3 4.206 -4.310 -5.115 1.00 53.10 H new ATOM 0 HB ILE A 3 5.132 -6.470 -5.766 1.00 1.21 H new ATOM 0 HG12 ILE A 3 4.211 -7.952 -4.087 1.00 22.12 H new ATOM 0 HG13 ILE A 3 5.940 -8.167 -4.277 1.00 22.12 H new ATOM 0 HG21 ILE A 3 7.401 -6.193 -4.751 1.00 14.00 H new ATOM 0 HG22 ILE A 3 6.681 -4.643 -5.249 1.00 14.00 H new ATOM 0 HG23 ILE A 3 6.694 -5.108 -3.531 1.00 14.00 H new ATOM 0 HD11 ILE A 3 5.288 -8.340 -1.937 1.00 13.13 H new ATOM 0 HD12 ILE A 3 6.338 -6.925 -2.187 1.00 13.13 H new ATOM 0 HD13 ILE A 3 4.582 -6.707 -1.994 1.00 13.13 H new ATOM 56 N ASN A 4 2.072 -6.396 -3.823 1.00 3.42 N ATOM 57 CA ASN A 4 0.776 -6.982 -4.106 1.00 43.24 C ATOM 58 C ASN A 4 -0.325 -6.012 -3.782 1.00 13.30 C ATOM 59 O ASN A 4 -1.356 -5.986 -4.449 1.00 75.33 O ATOM 60 CB ASN A 4 0.543 -8.324 -3.399 1.00 42.14 C ATOM 61 CG ASN A 4 -0.876 -8.844 -3.642 1.00 41.13 C ATOM 62 OD1 ASN A 4 -1.798 -8.591 -2.852 1.00 61.12 O ATOM 63 ND2 ASN A 4 -1.076 -9.515 -4.744 1.00 35.12 N ATOM 0 H ASN A 4 2.397 -6.496 -2.861 1.00 3.42 H new ATOM 0 HA ASN A 4 0.765 -7.197 -5.175 1.00 43.24 H new ATOM 0 HB2 ASN A 4 1.267 -9.056 -3.757 1.00 42.14 H new ATOM 0 HB3 ASN A 4 0.711 -8.207 -2.328 1.00 42.14 H new ATOM 0 HD21 ASN A 4 -2.012 -9.847 -4.976 1.00 35.12 H new ATOM 0 HD22 ASN A 4 -0.296 -9.707 -5.373 1.00 35.12 H new ATOM 70 N THR A 5 -0.105 -5.189 -2.790 1.00 52.05 N ATOM 71 CA THR A 5 -1.077 -4.196 -2.413 1.00 1.44 C ATOM 72 C THR A 5 -1.275 -3.206 -3.561 1.00 33.35 C ATOM 73 O THR A 5 -2.389 -2.806 -3.849 1.00 72.51 O ATOM 74 CB THR A 5 -0.637 -3.459 -1.157 1.00 42.33 C ATOM 75 OG1 THR A 5 -0.334 -4.423 -0.126 1.00 62.51 O ATOM 76 CG2 THR A 5 -1.721 -2.514 -0.652 1.00 42.05 C ATOM 0 H THR A 5 0.744 -5.187 -2.225 1.00 52.05 H new ATOM 0 HA THR A 5 -2.022 -4.697 -2.201 1.00 1.44 H new ATOM 0 HB THR A 5 0.244 -2.866 -1.402 1.00 42.33 H new ATOM 0 HG1 THR A 5 0.390 -5.009 -0.429 1.00 62.51 H new ATOM 0 HG21 THR A 5 -1.371 -2.005 0.246 1.00 42.05 H new ATOM 0 HG22 THR A 5 -1.948 -1.776 -1.422 1.00 42.05 H new ATOM 0 HG23 THR A 5 -2.621 -3.084 -0.419 1.00 42.05 H new ATOM 84 N ILE A 6 -0.202 -2.855 -4.257 1.00 60.40 N ATOM 85 CA ILE A 6 -0.316 -1.996 -5.376 1.00 54.33 C ATOM 86 C ILE A 6 -1.112 -2.679 -6.516 1.00 71.51 C ATOM 87 O ILE A 6 -1.796 -2.013 -7.300 1.00 72.42 O ATOM 88 CB ILE A 6 1.070 -1.480 -5.850 1.00 31.22 C ATOM 89 CG1 ILE A 6 0.907 -0.375 -6.834 1.00 1.35 C ATOM 90 CG2 ILE A 6 1.890 -2.564 -6.456 1.00 4.44 C ATOM 91 CD1 ILE A 6 0.130 0.734 -6.260 1.00 43.33 C ATOM 0 H ILE A 6 0.747 -3.164 -4.048 1.00 60.40 H new ATOM 0 HA ILE A 6 -0.881 -1.116 -5.068 1.00 54.33 H new ATOM 0 HB ILE A 6 1.592 -1.112 -4.967 1.00 31.22 H new ATOM 0 HG12 ILE A 6 1.887 -0.014 -7.146 1.00 1.35 H new ATOM 0 HG13 ILE A 6 0.407 -0.750 -7.727 1.00 1.35 H new ATOM 0 HG21 ILE A 6 2.851 -2.159 -6.774 1.00 4.44 H new ATOM 0 HG22 ILE A 6 2.053 -3.351 -5.720 1.00 4.44 H new ATOM 0 HG23 ILE A 6 1.367 -2.977 -7.319 1.00 4.44 H new ATOM 0 HD11 ILE A 6 0.026 1.527 -7.000 1.00 43.33 H new ATOM 0 HD12 ILE A 6 -0.858 0.375 -5.972 1.00 43.33 H new ATOM 0 HD13 ILE A 6 0.645 1.123 -5.382 1.00 43.33 H new ATOM 103 N LYS A 7 -1.085 -4.017 -6.547 1.00 43.43 N ATOM 104 CA LYS A 7 -1.867 -4.752 -7.509 1.00 20.04 C ATOM 105 C LYS A 7 -3.318 -4.674 -7.084 1.00 12.41 C ATOM 106 O LYS A 7 -4.203 -4.695 -7.898 1.00 54.11 O ATOM 107 CB LYS A 7 -1.446 -6.232 -7.586 1.00 11.21 C ATOM 108 CG LYS A 7 0.012 -6.482 -7.934 1.00 2.44 C ATOM 109 CD LYS A 7 0.389 -5.922 -9.294 1.00 61.14 C ATOM 110 CE LYS A 7 1.838 -6.246 -9.637 1.00 74.35 C ATOM 111 NZ LYS A 7 2.796 -5.676 -8.666 1.00 22.23 N ATOM 0 H LYS A 7 -0.530 -4.596 -5.916 1.00 43.43 H new ATOM 0 HA LYS A 7 -1.711 -4.314 -8.495 1.00 20.04 H new ATOM 0 HB2 LYS A 7 -1.658 -6.702 -6.626 1.00 11.21 H new ATOM 0 HB3 LYS A 7 -2.069 -6.730 -8.329 1.00 11.21 H new ATOM 0 HG2 LYS A 7 0.647 -6.032 -7.171 1.00 2.44 H new ATOM 0 HG3 LYS A 7 0.207 -7.554 -7.919 1.00 2.44 H new ATOM 0 HD2 LYS A 7 -0.270 -6.336 -10.057 1.00 61.14 H new ATOM 0 HD3 LYS A 7 0.243 -4.842 -9.299 1.00 61.14 H new ATOM 0 HE2 LYS A 7 1.965 -7.328 -9.674 1.00 74.35 H new ATOM 0 HE3 LYS A 7 2.065 -5.864 -10.632 1.00 74.35 H new ATOM 0 HZ1 LYS A 7 3.766 -5.926 -8.947 1.00 22.23 H new ATOM 0 HZ2 LYS A 7 2.697 -4.641 -8.648 1.00 22.23 H new ATOM 0 HZ3 LYS A 7 2.600 -6.059 -7.719 1.00 22.23 H new ATOM 125 N SER A 8 -3.544 -4.513 -5.793 1.00 30.42 N ATOM 126 CA SER A 8 -4.889 -4.454 -5.284 1.00 23.33 C ATOM 127 C SER A 8 -5.484 -3.103 -5.663 1.00 53.24 C ATOM 128 O SER A 8 -6.628 -3.010 -6.092 1.00 41.11 O ATOM 129 CB SER A 8 -4.867 -4.661 -3.773 1.00 74.53 C ATOM 130 OG SER A 8 -4.068 -5.809 -3.449 1.00 43.31 O ATOM 0 H SER A 8 -2.814 -4.422 -5.087 1.00 30.42 H new ATOM 0 HA SER A 8 -5.508 -5.241 -5.715 1.00 23.33 H new ATOM 0 HB2 SER A 8 -4.463 -3.776 -3.282 1.00 74.53 H new ATOM 0 HB3 SER A 8 -5.882 -4.797 -3.401 1.00 74.53 H new ATOM 0 HG SER A 8 -3.140 -5.650 -3.722 1.00 43.31 H new ATOM 136 N LEU A 9 -4.668 -2.074 -5.558 1.00 4.45 N ATOM 137 CA LEU A 9 -5.063 -0.751 -5.968 1.00 71.22 C ATOM 138 C LEU A 9 -5.349 -0.715 -7.452 1.00 64.20 C ATOM 139 O LEU A 9 -6.491 -0.584 -7.849 1.00 22.24 O ATOM 140 CB LEU A 9 -4.010 0.310 -5.601 1.00 2.40 C ATOM 141 CG LEU A 9 -4.036 0.866 -4.168 1.00 42.45 C ATOM 142 CD1 LEU A 9 -3.832 -0.212 -3.127 1.00 33.15 C ATOM 143 CD2 LEU A 9 -2.999 1.957 -4.009 1.00 64.24 C ATOM 0 H LEU A 9 -3.719 -2.135 -5.188 1.00 4.45 H new ATOM 0 HA LEU A 9 -5.976 -0.507 -5.424 1.00 71.22 H new ATOM 0 HB2 LEU A 9 -3.024 -0.119 -5.778 1.00 2.40 H new ATOM 0 HB3 LEU A 9 -4.122 1.148 -6.289 1.00 2.40 H new ATOM 0 HG LEU A 9 -5.029 1.285 -4.003 1.00 42.45 H new ATOM 0 HD11 LEU A 9 -3.859 0.233 -2.132 1.00 33.15 H new ATOM 0 HD12 LEU A 9 -4.624 -0.956 -3.213 1.00 33.15 H new ATOM 0 HD13 LEU A 9 -2.866 -0.691 -3.284 1.00 33.15 H new ATOM 0 HD21 LEU A 9 -3.029 2.341 -2.989 1.00 64.24 H new ATOM 0 HD22 LEU A 9 -2.009 1.551 -4.215 1.00 64.24 H new ATOM 0 HD23 LEU A 9 -3.212 2.766 -4.708 1.00 64.24 H new ATOM 155 N ARG A 10 -4.329 -0.924 -8.259 1.00 63.15 N ATOM 156 CA ARG A 10 -4.462 -0.799 -9.707 1.00 35.22 C ATOM 157 C ARG A 10 -5.423 -1.834 -10.322 1.00 31.34 C ATOM 158 O ARG A 10 -6.388 -1.456 -10.990 1.00 52.41 O ATOM 159 CB ARG A 10 -3.097 -0.833 -10.400 1.00 13.24 C ATOM 160 CG ARG A 10 -3.174 -0.628 -11.907 1.00 14.03 C ATOM 161 CD ARG A 10 -1.822 -0.610 -12.545 1.00 62.23 C ATOM 162 NE ARG A 10 -1.963 -0.339 -13.963 1.00 41.22 N ATOM 163 CZ ARG A 10 -1.067 -0.605 -14.893 1.00 73.25 C ATOM 164 NH1 ARG A 10 0.094 -1.175 -14.580 1.00 2.21 N ATOM 165 NH2 ARG A 10 -1.345 -0.325 -16.140 1.00 24.21 N ATOM 0 H ARG A 10 -3.395 -1.182 -7.942 1.00 63.15 H new ATOM 0 HA ARG A 10 -4.912 0.178 -9.883 1.00 35.22 H new ATOM 0 HB2 ARG A 10 -2.460 -0.061 -9.969 1.00 13.24 H new ATOM 0 HB3 ARG A 10 -2.619 -1.791 -10.196 1.00 13.24 H new ATOM 0 HG2 ARG A 10 -3.772 -1.424 -12.350 1.00 14.03 H new ATOM 0 HG3 ARG A 10 -3.686 0.311 -12.118 1.00 14.03 H new ATOM 0 HD2 ARG A 10 -1.197 0.152 -12.078 1.00 62.23 H new ATOM 0 HD3 ARG A 10 -1.324 -1.568 -12.394 1.00 62.23 H new ATOM 0 HE ARG A 10 -2.833 0.096 -14.268 1.00 41.22 H new ATOM 0 HH11 ARG A 10 0.301 -1.412 -13.610 1.00 2.21 H new ATOM 0 HH12 ARG A 10 0.777 -1.375 -15.310 1.00 2.21 H new ATOM 0 HH21 ARG A 10 -2.244 0.093 -16.381 1.00 24.21 H new ATOM 0 HH22 ARG A 10 -0.663 -0.524 -16.872 1.00 24.21 H new ATOM 179 N VAL A 11 -5.203 -3.116 -10.052 1.00 35.42 N ATOM 180 CA VAL A 11 -6.012 -4.169 -10.669 1.00 70.41 C ATOM 181 C VAL A 11 -7.476 -4.066 -10.241 1.00 24.11 C ATOM 182 O VAL A 11 -8.381 -4.238 -11.058 1.00 63.15 O ATOM 183 CB VAL A 11 -5.449 -5.601 -10.403 1.00 44.25 C ATOM 184 CG1 VAL A 11 -6.304 -6.677 -11.066 1.00 42.44 C ATOM 185 CG2 VAL A 11 -4.007 -5.704 -10.891 1.00 61.24 C ATOM 0 H VAL A 11 -4.479 -3.452 -9.417 1.00 35.42 H new ATOM 0 HA VAL A 11 -5.957 -4.008 -11.746 1.00 70.41 H new ATOM 0 HB VAL A 11 -5.477 -5.769 -9.326 1.00 44.25 H new ATOM 0 HG11 VAL A 11 -5.879 -7.659 -10.858 1.00 42.44 H new ATOM 0 HG12 VAL A 11 -7.319 -6.629 -10.672 1.00 42.44 H new ATOM 0 HG13 VAL A 11 -6.325 -6.512 -12.143 1.00 42.44 H new ATOM 0 HG21 VAL A 11 -3.629 -6.708 -10.699 1.00 61.24 H new ATOM 0 HG22 VAL A 11 -3.970 -5.501 -11.961 1.00 61.24 H new ATOM 0 HG23 VAL A 11 -3.391 -4.977 -10.362 1.00 61.24 H new ATOM 195 N LEU A 12 -7.732 -3.718 -8.987 1.00 42.14 N ATOM 196 CA LEU A 12 -9.120 -3.582 -8.574 1.00 25.05 C ATOM 197 C LEU A 12 -9.684 -2.266 -9.025 1.00 42.23 C ATOM 198 O LEU A 12 -10.880 -2.122 -9.192 1.00 72.35 O ATOM 199 CB LEU A 12 -9.345 -3.838 -7.091 1.00 14.34 C ATOM 200 CG LEU A 12 -8.911 -5.214 -6.583 1.00 23.33 C ATOM 201 CD1 LEU A 12 -9.146 -5.329 -5.091 1.00 51.11 C ATOM 202 CD2 LEU A 12 -9.630 -6.329 -7.328 1.00 61.45 C ATOM 0 H LEU A 12 -7.033 -3.532 -8.268 1.00 42.14 H new ATOM 0 HA LEU A 12 -9.675 -4.374 -9.077 1.00 25.05 H new ATOM 0 HB2 LEU A 12 -8.810 -3.076 -6.524 1.00 14.34 H new ATOM 0 HB3 LEU A 12 -10.406 -3.709 -6.876 1.00 14.34 H new ATOM 0 HG LEU A 12 -7.843 -5.320 -6.774 1.00 23.33 H new ATOM 0 HD11 LEU A 12 -8.831 -6.315 -4.748 1.00 51.11 H new ATOM 0 HD12 LEU A 12 -8.570 -4.563 -4.572 1.00 51.11 H new ATOM 0 HD13 LEU A 12 -10.206 -5.192 -4.878 1.00 51.11 H new ATOM 0 HD21 LEU A 12 -9.300 -7.294 -6.944 1.00 61.45 H new ATOM 0 HD22 LEU A 12 -10.706 -6.229 -7.183 1.00 61.45 H new ATOM 0 HD23 LEU A 12 -9.400 -6.263 -8.391 1.00 61.45 H new ATOM 214 N ARG A 13 -8.807 -1.336 -9.304 1.00 51.23 N ATOM 215 CA ARG A 13 -9.226 -0.060 -9.879 1.00 13.51 C ATOM 216 C ARG A 13 -9.497 -0.241 -11.370 1.00 61.14 C ATOM 217 O ARG A 13 -9.886 0.692 -12.070 1.00 44.44 O ATOM 218 CB ARG A 13 -8.224 1.082 -9.657 1.00 43.44 C ATOM 219 CG ARG A 13 -8.785 2.226 -8.814 1.00 5.13 C ATOM 220 CD ARG A 13 -8.483 2.086 -7.318 1.00 22.41 C ATOM 221 NE ARG A 13 -8.716 0.740 -6.772 1.00 54.44 N ATOM 222 CZ ARG A 13 -9.349 0.469 -5.617 1.00 60.33 C ATOM 223 NH1 ARG A 13 -9.995 1.432 -4.957 1.00 44.34 N ATOM 224 NH2 ARG A 13 -9.333 -0.773 -5.133 1.00 12.52 N ATOM 0 H ARG A 13 -7.803 -1.426 -9.148 1.00 51.23 H new ATOM 0 HA ARG A 13 -10.135 0.236 -9.355 1.00 13.51 H new ATOM 0 HB2 ARG A 13 -7.333 0.685 -9.170 1.00 43.44 H new ATOM 0 HB3 ARG A 13 -7.910 1.474 -10.625 1.00 43.44 H new ATOM 0 HG2 ARG A 13 -8.372 3.169 -9.174 1.00 5.13 H new ATOM 0 HG3 ARG A 13 -9.865 2.276 -8.956 1.00 5.13 H new ATOM 0 HD2 ARG A 13 -7.443 2.360 -7.143 1.00 22.41 H new ATOM 0 HD3 ARG A 13 -9.097 2.799 -6.768 1.00 22.41 H new ATOM 0 HE ARG A 13 -8.369 -0.052 -7.313 1.00 54.44 H new ATOM 0 HH11 ARG A 13 -10.011 2.382 -5.328 1.00 44.34 H new ATOM 0 HH12 ARG A 13 -10.473 1.218 -4.082 1.00 44.34 H new ATOM 0 HH21 ARG A 13 -8.843 -1.511 -5.638 1.00 12.52 H new ATOM 0 HH22 ARG A 13 -9.811 -0.985 -4.257 1.00 12.52 H new ATOM 238 N VAL A 14 -9.223 -1.426 -11.859 1.00 34.21 N ATOM 239 CA VAL A 14 -9.621 -1.808 -13.192 1.00 62.34 C ATOM 240 C VAL A 14 -10.908 -2.633 -13.098 1.00 75.41 C ATOM 241 O VAL A 14 -11.929 -2.305 -13.708 1.00 22.13 O ATOM 242 CB VAL A 14 -8.524 -2.642 -13.912 1.00 62.51 C ATOM 243 CG1 VAL A 14 -8.989 -3.092 -15.292 1.00 52.11 C ATOM 244 CG2 VAL A 14 -7.248 -1.839 -14.038 1.00 25.41 C ATOM 0 H VAL A 14 -8.720 -2.150 -11.346 1.00 34.21 H new ATOM 0 HA VAL A 14 -9.779 -0.902 -13.776 1.00 62.34 H new ATOM 0 HB VAL A 14 -8.332 -3.529 -13.308 1.00 62.51 H new ATOM 0 HG11 VAL A 14 -8.200 -3.673 -15.770 1.00 52.11 H new ATOM 0 HG12 VAL A 14 -9.883 -3.707 -15.192 1.00 52.11 H new ATOM 0 HG13 VAL A 14 -9.217 -2.218 -15.902 1.00 52.11 H new ATOM 0 HG21 VAL A 14 -6.490 -2.437 -14.544 1.00 25.41 H new ATOM 0 HG22 VAL A 14 -7.442 -0.935 -14.615 1.00 25.41 H new ATOM 0 HG23 VAL A 14 -6.891 -1.565 -13.045 1.00 25.41 H new ATOM 254 N LEU A 15 -10.868 -3.663 -12.267 1.00 14.34 N ATOM 255 CA LEU A 15 -11.979 -4.606 -12.129 1.00 51.50 C ATOM 256 C LEU A 15 -13.245 -3.989 -11.529 1.00 71.35 C ATOM 257 O LEU A 15 -14.342 -4.508 -11.717 1.00 35.02 O ATOM 258 CB LEU A 15 -11.562 -5.860 -11.350 1.00 70.24 C ATOM 259 CG LEU A 15 -10.385 -6.668 -11.923 1.00 20.41 C ATOM 260 CD1 LEU A 15 -10.105 -7.885 -11.060 1.00 51.15 C ATOM 261 CD2 LEU A 15 -10.652 -7.090 -13.363 1.00 43.51 C ATOM 0 H LEU A 15 -10.069 -3.873 -11.669 1.00 14.34 H new ATOM 0 HA LEU A 15 -12.237 -4.897 -13.147 1.00 51.50 H new ATOM 0 HB2 LEU A 15 -11.307 -5.560 -10.334 1.00 70.24 H new ATOM 0 HB3 LEU A 15 -12.426 -6.520 -11.280 1.00 70.24 H new ATOM 0 HG LEU A 15 -9.506 -6.024 -11.919 1.00 20.41 H new ATOM 0 HD11 LEU A 15 -9.269 -8.445 -11.480 1.00 51.15 H new ATOM 0 HD12 LEU A 15 -9.855 -7.564 -10.049 1.00 51.15 H new ATOM 0 HD13 LEU A 15 -10.990 -8.521 -11.030 1.00 51.15 H new ATOM 0 HD21 LEU A 15 -9.802 -7.659 -13.739 1.00 43.51 H new ATOM 0 HD22 LEU A 15 -11.548 -7.709 -13.400 1.00 43.51 H new ATOM 0 HD23 LEU A 15 -10.797 -6.204 -13.981 1.00 43.51 H new ATOM 273 N ARG A 16 -13.112 -2.930 -10.801 1.00 63.33 N ATOM 274 CA ARG A 16 -14.287 -2.264 -10.286 1.00 73.32 C ATOM 275 C ARG A 16 -14.958 -1.345 -11.342 1.00 4.23 C ATOM 276 O ARG A 16 -16.036 -1.687 -11.843 1.00 61.23 O ATOM 277 CB ARG A 16 -14.037 -1.553 -8.938 1.00 44.45 C ATOM 278 CG ARG A 16 -13.856 -2.482 -7.735 1.00 53.22 C ATOM 279 CD ARG A 16 -15.130 -3.201 -7.379 1.00 5.44 C ATOM 280 NE ARG A 16 -14.909 -4.117 -6.271 1.00 42.01 N ATOM 281 CZ ARG A 16 -15.665 -4.216 -5.189 1.00 53.21 C ATOM 282 NH1 ARG A 16 -16.727 -3.435 -5.023 1.00 23.15 N ATOM 283 NH2 ARG A 16 -15.357 -5.094 -4.271 1.00 21.53 N ATOM 0 H ARG A 16 -12.221 -2.504 -10.546 1.00 63.33 H new ATOM 0 HA ARG A 16 -15.009 -3.051 -10.068 1.00 73.32 H new ATOM 0 HB2 ARG A 16 -13.147 -0.931 -9.033 1.00 44.45 H new ATOM 0 HB3 ARG A 16 -14.874 -0.884 -8.738 1.00 44.45 H new ATOM 0 HG2 ARG A 16 -13.077 -3.212 -7.955 1.00 53.22 H new ATOM 0 HG3 ARG A 16 -13.516 -1.902 -6.877 1.00 53.22 H new ATOM 0 HD2 ARG A 16 -15.900 -2.477 -7.111 1.00 5.44 H new ATOM 0 HD3 ARG A 16 -15.497 -3.751 -8.245 1.00 5.44 H new ATOM 0 HE ARG A 16 -14.101 -4.737 -6.333 1.00 42.01 H new ATOM 0 HH11 ARG A 16 -16.970 -2.746 -5.735 1.00 23.15 H new ATOM 0 HH12 ARG A 16 -17.299 -3.524 -4.183 1.00 23.15 H new ATOM 0 HH21 ARG A 16 -14.541 -5.694 -4.393 1.00 21.53 H new ATOM 0 HH22 ARG A 16 -15.932 -5.179 -3.433 1.00 21.53 H new ATOM 297 N PRO A 17 -14.303 -0.242 -11.805 1.00 34.03 N ATOM 298 CA PRO A 17 -14.951 0.745 -12.671 1.00 51.44 C ATOM 299 C PRO A 17 -15.227 0.207 -14.062 1.00 31.11 C ATOM 300 O PRO A 17 -16.201 0.608 -14.709 1.00 63.40 O ATOM 301 CB PRO A 17 -13.942 1.908 -12.739 1.00 73.44 C ATOM 302 CG PRO A 17 -12.939 1.600 -11.688 1.00 33.22 C ATOM 303 CD PRO A 17 -12.902 0.110 -11.613 1.00 73.03 C ATOM 0 HA PRO A 17 -15.925 1.037 -12.278 1.00 51.44 H new ATOM 0 HB2 PRO A 17 -13.477 1.972 -13.723 1.00 73.44 H new ATOM 0 HB3 PRO A 17 -14.429 2.866 -12.553 1.00 73.44 H new ATOM 0 HG2 PRO A 17 -11.961 2.006 -11.945 1.00 33.22 H new ATOM 0 HG3 PRO A 17 -13.224 2.036 -10.731 1.00 33.22 H new ATOM 0 HD2 PRO A 17 -12.264 -0.321 -12.385 1.00 73.03 H new ATOM 0 HD3 PRO A 17 -12.522 -0.240 -10.653 1.00 73.03 H new ATOM 311 N LEU A 18 -14.417 -0.736 -14.522 1.00 44.45 N ATOM 312 CA LEU A 18 -14.618 -1.256 -15.841 1.00 4.25 C ATOM 313 C LEU A 18 -15.699 -2.274 -15.880 1.00 40.21 C ATOM 314 O LEU A 18 -16.196 -2.589 -16.932 1.00 50.20 O ATOM 315 CB LEU A 18 -13.380 -1.793 -16.491 1.00 3.04 C ATOM 316 CG LEU A 18 -12.376 -0.762 -17.048 1.00 40.44 C ATOM 317 CD1 LEU A 18 -11.709 0.065 -15.958 1.00 3.32 C ATOM 318 CD2 LEU A 18 -11.350 -1.452 -17.901 1.00 20.44 C ATOM 0 H LEU A 18 -13.636 -1.141 -14.006 1.00 44.45 H new ATOM 0 HA LEU A 18 -14.922 -0.389 -16.428 1.00 4.25 H new ATOM 0 HB2 LEU A 18 -12.858 -2.415 -15.763 1.00 3.04 H new ATOM 0 HB3 LEU A 18 -13.683 -2.446 -17.309 1.00 3.04 H new ATOM 0 HG LEU A 18 -12.942 -0.060 -17.660 1.00 40.44 H new ATOM 0 HD11 LEU A 18 -11.014 0.772 -16.411 1.00 3.32 H new ATOM 0 HD12 LEU A 18 -12.469 0.611 -15.399 1.00 3.32 H new ATOM 0 HD13 LEU A 18 -11.166 -0.595 -15.282 1.00 3.32 H new ATOM 0 HD21 LEU A 18 -10.646 -0.716 -18.290 1.00 20.44 H new ATOM 0 HD22 LEU A 18 -10.813 -2.187 -17.301 1.00 20.44 H new ATOM 0 HD23 LEU A 18 -11.846 -1.954 -18.732 1.00 20.44 H new ATOM 330 N LYS A 19 -16.070 -2.790 -14.739 1.00 14.22 N ATOM 331 CA LYS A 19 -17.196 -3.699 -14.676 1.00 0.01 C ATOM 332 C LYS A 19 -18.438 -2.926 -14.539 1.00 40.42 C ATOM 333 O LYS A 19 -19.521 -3.400 -14.846 1.00 41.34 O ATOM 334 CB LYS A 19 -17.047 -4.773 -13.615 1.00 62.13 C ATOM 335 CG LYS A 19 -16.252 -6.002 -14.056 1.00 23.41 C ATOM 336 CD LYS A 19 -14.847 -5.676 -14.556 1.00 23.34 C ATOM 337 CE LYS A 19 -14.055 -6.938 -14.886 1.00 41.42 C ATOM 338 NZ LYS A 19 -14.685 -7.746 -15.950 1.00 15.14 N ATOM 0 H LYS A 19 -15.617 -2.602 -13.844 1.00 14.22 H new ATOM 0 HA LYS A 19 -17.234 -4.256 -15.612 1.00 0.01 H new ATOM 0 HB2 LYS A 19 -16.561 -4.337 -12.742 1.00 62.13 H new ATOM 0 HB3 LYS A 19 -18.040 -5.094 -13.300 1.00 62.13 H new ATOM 0 HG2 LYS A 19 -16.178 -6.696 -13.219 1.00 23.41 H new ATOM 0 HG3 LYS A 19 -16.800 -6.514 -14.847 1.00 23.41 H new ATOM 0 HD2 LYS A 19 -14.914 -5.047 -15.443 1.00 23.34 H new ATOM 0 HD3 LYS A 19 -14.316 -5.102 -13.797 1.00 23.34 H new ATOM 0 HE2 LYS A 19 -13.048 -6.659 -15.196 1.00 41.42 H new ATOM 0 HE3 LYS A 19 -13.955 -7.545 -13.986 1.00 41.42 H new ATOM 0 HZ1 LYS A 19 -14.050 -8.525 -16.217 1.00 15.14 H new ATOM 0 HZ2 LYS A 19 -15.584 -8.136 -15.603 1.00 15.14 H new ATOM 0 HZ3 LYS A 19 -14.865 -7.146 -16.780 1.00 15.14 H new ATOM 352 N THR A 20 -18.285 -1.729 -14.105 1.00 54.34 N ATOM 353 CA THR A 20 -19.373 -0.828 -14.101 1.00 51.43 C ATOM 354 C THR A 20 -19.647 -0.362 -15.555 1.00 71.12 C ATOM 355 O THR A 20 -20.763 -0.012 -15.908 1.00 52.14 O ATOM 356 CB THR A 20 -19.090 0.363 -13.212 1.00 33.21 C ATOM 357 OG1 THR A 20 -18.397 -0.084 -12.031 1.00 32.34 O ATOM 358 CG2 THR A 20 -20.397 0.937 -12.793 1.00 61.31 C ATOM 0 H THR A 20 -17.409 -1.350 -13.746 1.00 54.34 H new ATOM 0 HA THR A 20 -20.252 -1.335 -13.704 1.00 51.43 H new ATOM 0 HB THR A 20 -18.486 1.099 -13.743 1.00 33.21 H new ATOM 0 HG1 THR A 20 -18.209 0.684 -11.452 1.00 32.34 H new ATOM 0 HG21 THR A 20 -20.226 1.800 -12.149 1.00 61.31 H new ATOM 0 HG22 THR A 20 -20.957 1.248 -13.675 1.00 61.31 H new ATOM 0 HG23 THR A 20 -20.967 0.185 -12.248 1.00 61.31 H new ATOM 366 N ILE A 21 -18.604 -0.377 -16.385 1.00 23.51 N ATOM 367 CA ILE A 21 -18.756 -0.086 -17.809 1.00 21.54 C ATOM 368 C ILE A 21 -19.262 -1.334 -18.488 1.00 12.33 C ATOM 369 O ILE A 21 -20.316 -1.348 -19.102 1.00 61.24 O ATOM 370 CB ILE A 21 -17.422 0.277 -18.479 1.00 63.31 C ATOM 371 CG1 ILE A 21 -16.700 1.368 -17.720 1.00 75.44 C ATOM 372 CG2 ILE A 21 -17.665 0.720 -19.925 1.00 71.03 C ATOM 373 CD1 ILE A 21 -15.294 1.553 -18.203 1.00 62.24 C ATOM 0 H ILE A 21 -17.648 -0.587 -16.096 1.00 23.51 H new ATOM 0 HA ILE A 21 -19.437 0.760 -17.903 1.00 21.54 H new ATOM 0 HB ILE A 21 -16.791 -0.612 -18.472 1.00 63.31 H new ATOM 0 HG12 ILE A 21 -17.246 2.305 -17.826 1.00 75.44 H new ATOM 0 HG13 ILE A 21 -16.689 1.124 -16.658 1.00 75.44 H new ATOM 0 HG21 ILE A 21 -16.714 0.975 -20.392 1.00 71.03 H new ATOM 0 HG22 ILE A 21 -18.135 -0.092 -20.480 1.00 71.03 H new ATOM 0 HG23 ILE A 21 -18.319 1.592 -19.933 1.00 71.03 H new ATOM 0 HD11 ILE A 21 -14.814 2.346 -17.630 1.00 62.24 H new ATOM 0 HD12 ILE A 21 -14.739 0.624 -18.072 1.00 62.24 H new ATOM 0 HD13 ILE A 21 -15.305 1.824 -19.259 1.00 62.24 H new ATOM 385 N LYS A 22 -18.481 -2.388 -18.363 1.00 2.41 N ATOM 386 CA LYS A 22 -18.821 -3.705 -18.939 1.00 22.14 C ATOM 387 C LYS A 22 -20.202 -4.275 -18.546 1.00 20.31 C ATOM 388 O LYS A 22 -20.681 -5.178 -19.204 1.00 22.34 O ATOM 389 CB LYS A 22 -17.701 -4.745 -18.750 1.00 23.33 C ATOM 390 CG LYS A 22 -16.732 -4.862 -19.939 1.00 42.53 C ATOM 391 CD LYS A 22 -16.022 -3.553 -20.284 1.00 13.41 C ATOM 392 CE LYS A 22 -15.165 -3.720 -21.540 1.00 71.51 C ATOM 393 NZ LYS A 22 -14.471 -2.473 -21.928 1.00 31.04 N ATOM 0 H LYS A 22 -17.592 -2.372 -17.864 1.00 2.41 H new ATOM 0 HA LYS A 22 -18.909 -3.493 -20.005 1.00 22.14 H new ATOM 0 HB2 LYS A 22 -17.131 -4.488 -17.857 1.00 23.33 H new ATOM 0 HB3 LYS A 22 -18.154 -5.720 -18.570 1.00 23.33 H new ATOM 0 HG2 LYS A 22 -15.984 -5.622 -19.713 1.00 42.53 H new ATOM 0 HG3 LYS A 22 -17.284 -5.207 -20.813 1.00 42.53 H new ATOM 0 HD2 LYS A 22 -16.758 -2.764 -20.442 1.00 13.41 H new ATOM 0 HD3 LYS A 22 -15.395 -3.242 -19.448 1.00 13.41 H new ATOM 0 HE2 LYS A 22 -14.427 -4.504 -21.370 1.00 71.51 H new ATOM 0 HE3 LYS A 22 -15.797 -4.051 -22.364 1.00 71.51 H new ATOM 0 HZ1 LYS A 22 -13.905 -2.642 -22.784 1.00 31.04 H new ATOM 0 HZ2 LYS A 22 -15.173 -1.730 -22.118 1.00 31.04 H new ATOM 0 HZ3 LYS A 22 -13.846 -2.169 -21.155 1.00 31.04 H new ATOM 407 N ARG A 23 -20.853 -3.742 -17.514 1.00 53.13 N ATOM 408 CA ARG A 23 -22.209 -4.204 -17.174 1.00 54.40 C ATOM 409 C ARG A 23 -23.240 -3.710 -18.210 1.00 4.31 C ATOM 410 O ARG A 23 -24.400 -4.107 -18.181 1.00 53.23 O ATOM 411 CB ARG A 23 -22.614 -3.826 -15.711 1.00 71.14 C ATOM 412 CG ARG A 23 -22.695 -2.326 -15.404 1.00 4.32 C ATOM 413 CD ARG A 23 -23.987 -1.679 -15.899 1.00 43.24 C ATOM 414 NE ARG A 23 -25.120 -1.946 -15.016 1.00 21.02 N ATOM 415 CZ ARG A 23 -26.261 -2.564 -15.334 1.00 52.41 C ATOM 416 NH1 ARG A 23 -26.376 -3.280 -16.457 1.00 64.32 N ATOM 417 NH2 ARG A 23 -27.274 -2.514 -14.482 1.00 43.45 N ATOM 0 H ARG A 23 -20.482 -3.009 -16.909 1.00 53.13 H new ATOM 0 HA ARG A 23 -22.201 -5.293 -17.215 1.00 54.40 H new ATOM 0 HB2 ARG A 23 -23.584 -4.274 -15.496 1.00 71.14 H new ATOM 0 HB3 ARG A 23 -21.896 -4.279 -15.027 1.00 71.14 H new ATOM 0 HG2 ARG A 23 -22.611 -2.177 -14.327 1.00 4.32 H new ATOM 0 HG3 ARG A 23 -21.845 -1.821 -15.863 1.00 4.32 H new ATOM 0 HD2 ARG A 23 -23.841 -0.602 -15.983 1.00 43.24 H new ATOM 0 HD3 ARG A 23 -24.215 -2.048 -16.899 1.00 43.24 H new ATOM 0 HE ARG A 23 -25.030 -1.626 -14.052 1.00 21.02 H new ATOM 0 HH11 ARG A 23 -25.582 -3.363 -17.092 1.00 64.32 H new ATOM 0 HH12 ARG A 23 -27.257 -3.743 -16.679 1.00 64.32 H new ATOM 0 HH21 ARG A 23 -27.175 -2.010 -13.601 1.00 43.45 H new ATOM 0 HH22 ARG A 23 -28.153 -2.980 -14.707 1.00 43.45 H new ATOM 431 N LEU A 24 -22.833 -2.792 -19.075 1.00 42.10 N ATOM 432 CA LEU A 24 -23.708 -2.337 -20.144 1.00 14.42 C ATOM 433 C LEU A 24 -23.665 -3.294 -21.361 1.00 60.10 C ATOM 434 O LEU A 24 -24.716 -3.811 -21.763 1.00 44.54 O ATOM 435 CB LEU A 24 -23.477 -0.852 -20.582 1.00 23.41 C ATOM 436 CG LEU A 24 -23.859 0.278 -19.599 1.00 54.33 C ATOM 437 CD1 LEU A 24 -25.260 0.102 -19.063 1.00 11.41 C ATOM 438 CD2 LEU A 24 -22.852 0.440 -18.478 1.00 33.15 C ATOM 0 H LEU A 24 -21.913 -2.352 -19.058 1.00 42.10 H new ATOM 0 HA LEU A 24 -24.711 -2.360 -19.717 1.00 14.42 H new ATOM 0 HB2 LEU A 24 -22.420 -0.738 -20.822 1.00 23.41 H new ATOM 0 HB3 LEU A 24 -24.033 -0.689 -21.505 1.00 23.41 H new ATOM 0 HG LEU A 24 -23.839 1.205 -20.173 1.00 54.33 H new ATOM 0 HD11 LEU A 24 -25.491 0.916 -18.376 1.00 11.41 H new ATOM 0 HD12 LEU A 24 -25.970 0.112 -19.890 1.00 11.41 H new ATOM 0 HD13 LEU A 24 -25.331 -0.849 -18.536 1.00 11.41 H new ATOM 0 HD21 LEU A 24 -23.170 1.247 -17.817 1.00 33.15 H new ATOM 0 HD22 LEU A 24 -22.786 -0.489 -17.911 1.00 33.15 H new ATOM 0 HD23 LEU A 24 -21.875 0.678 -18.898 1.00 33.15 H new ATOM 450 N PRO A 25 -22.474 -3.549 -21.993 1.00 20.34 N ATOM 451 CA PRO A 25 -22.390 -4.461 -23.136 1.00 34.52 C ATOM 452 C PRO A 25 -22.512 -5.914 -22.753 1.00 12.12 C ATOM 453 O PRO A 25 -22.997 -6.743 -23.515 1.00 73.13 O ATOM 454 CB PRO A 25 -21.028 -4.168 -23.746 1.00 74.43 C ATOM 455 CG PRO A 25 -20.210 -3.659 -22.612 1.00 1.03 C ATOM 456 CD PRO A 25 -21.157 -2.926 -21.713 1.00 73.41 C ATOM 0 HA PRO A 25 -23.217 -4.299 -23.828 1.00 34.52 H new ATOM 0 HB2 PRO A 25 -20.587 -5.065 -24.181 1.00 74.43 H new ATOM 0 HB3 PRO A 25 -21.102 -3.430 -24.544 1.00 74.43 H new ATOM 0 HG2 PRO A 25 -19.725 -4.479 -22.082 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -19.420 -2.998 -22.967 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -20.878 -3.036 -20.665 1.00 73.41 H new ATOM 0 HD3 PRO A 25 -21.167 -1.858 -21.930 1.00 73.41 H new ATOM 464 N LYS A 26 -22.114 -6.189 -21.595 1.00 64.15 N ATOM 465 CA LYS A 26 -22.118 -7.534 -21.082 1.00 1.03 C ATOM 466 C LYS A 26 -23.155 -7.686 -20.007 1.00 13.52 C ATOM 467 O LYS A 26 -23.814 -6.711 -19.642 1.00 15.32 O ATOM 468 CB LYS A 26 -20.734 -7.981 -20.605 1.00 60.23 C ATOM 469 CG LYS A 26 -19.707 -8.071 -21.725 1.00 2.12 C ATOM 470 CD LYS A 26 -18.387 -8.663 -21.251 1.00 14.33 C ATOM 471 CE LYS A 26 -18.533 -10.123 -20.795 1.00 55.44 C ATOM 472 NZ LYS A 26 -19.037 -11.011 -21.873 1.00 50.52 N ATOM 0 H LYS A 26 -21.762 -5.493 -20.938 1.00 64.15 H new ATOM 0 HA LYS A 26 -22.383 -8.197 -21.905 1.00 1.03 H new ATOM 0 HB2 LYS A 26 -20.376 -7.282 -19.849 1.00 60.23 H new ATOM 0 HB3 LYS A 26 -20.821 -8.955 -20.123 1.00 60.23 H new ATOM 0 HG2 LYS A 26 -20.107 -8.682 -22.534 1.00 2.12 H new ATOM 0 HG3 LYS A 26 -19.531 -7.076 -22.134 1.00 2.12 H new ATOM 0 HD2 LYS A 26 -17.656 -8.608 -22.058 1.00 14.33 H new ATOM 0 HD3 LYS A 26 -17.998 -8.065 -20.427 1.00 14.33 H new ATOM 0 HE2 LYS A 26 -17.567 -10.490 -20.449 1.00 55.44 H new ATOM 0 HE3 LYS A 26 -19.214 -10.168 -19.945 1.00 55.44 H new ATOM 0 HZ1 LYS A 26 -18.942 -12.004 -21.578 1.00 50.52 H new ATOM 0 HZ2 LYS A 26 -20.038 -10.799 -22.058 1.00 50.52 H new ATOM 0 HZ3 LYS A 26 -18.484 -10.853 -22.740 1.00 50.52 H new ATOM 486 N LEU A 27 -23.323 -8.929 -19.528 1.00 2.52 N ATOM 487 CA LEU A 27 -24.366 -9.295 -18.550 1.00 23.04 C ATOM 488 C LEU A 27 -25.735 -9.110 -19.202 1.00 74.23 C ATOM 489 O LEU A 27 -26.762 -8.966 -18.531 1.00 4.41 O ATOM 490 CB LEU A 27 -24.258 -8.463 -17.245 1.00 43.43 C ATOM 491 CG LEU A 27 -22.945 -8.584 -16.457 1.00 3.44 C ATOM 492 CD1 LEU A 27 -22.976 -7.685 -15.233 1.00 11.04 C ATOM 493 CD2 LEU A 27 -22.690 -10.027 -16.045 1.00 52.40 C ATOM 0 H LEU A 27 -22.736 -9.715 -19.809 1.00 2.52 H new ATOM 0 HA LEU A 27 -24.228 -10.338 -18.264 1.00 23.04 H new ATOM 0 HB2 LEU A 27 -24.408 -7.413 -17.497 1.00 43.43 H new ATOM 0 HB3 LEU A 27 -25.078 -8.753 -16.588 1.00 43.43 H new ATOM 0 HG LEU A 27 -22.130 -8.264 -17.106 1.00 3.44 H new ATOM 0 HD11 LEU A 27 -22.038 -7.783 -14.686 1.00 11.04 H new ATOM 0 HD12 LEU A 27 -23.107 -6.649 -15.546 1.00 11.04 H new ATOM 0 HD13 LEU A 27 -23.805 -7.977 -14.588 1.00 11.04 H new ATOM 0 HD21 LEU A 27 -21.755 -10.087 -15.489 1.00 52.40 H new ATOM 0 HD22 LEU A 27 -23.509 -10.376 -15.416 1.00 52.40 H new ATOM 0 HD23 LEU A 27 -22.623 -10.653 -16.935 1.00 52.40 H new ATOM 505 N LYS A 28 -25.725 -9.175 -20.513 1.00 54.03 N ATOM 506 CA LYS A 28 -26.879 -8.944 -21.327 1.00 53.33 C ATOM 507 C LYS A 28 -27.542 -10.277 -21.600 1.00 32.25 C ATOM 508 O LYS A 28 -27.013 -11.047 -22.443 1.00 32.54 O ATOM 509 CB LYS A 28 -26.432 -8.284 -22.645 1.00 63.23 C ATOM 510 CG LYS A 28 -27.556 -7.782 -23.538 1.00 13.35 C ATOM 511 CD LYS A 28 -28.327 -6.657 -22.873 1.00 22.00 C ATOM 512 CE LYS A 28 -29.390 -6.080 -23.790 1.00 71.20 C ATOM 513 NZ LYS A 28 -30.413 -7.075 -24.186 1.00 53.32 N ATOM 514 OXT LYS A 28 -28.575 -10.591 -20.967 1.00 0.00 O ATOM 0 H LYS A 28 -24.887 -9.397 -21.050 1.00 54.03 H new ATOM 0 HA LYS A 28 -27.587 -8.285 -20.825 1.00 53.33 H new ATOM 0 HB2 LYS A 28 -25.777 -7.445 -22.408 1.00 63.23 H new ATOM 0 HB3 LYS A 28 -25.837 -9.003 -23.208 1.00 63.23 H new ATOM 0 HG2 LYS A 28 -27.143 -7.433 -24.485 1.00 13.35 H new ATOM 0 HG3 LYS A 28 -28.234 -8.603 -23.769 1.00 13.35 H new ATOM 0 HD2 LYS A 28 -28.796 -7.028 -21.962 1.00 22.00 H new ATOM 0 HD3 LYS A 28 -27.635 -5.868 -22.577 1.00 22.00 H new ATOM 0 HE2 LYS A 28 -29.879 -5.244 -23.290 1.00 71.20 H new ATOM 0 HE3 LYS A 28 -28.913 -5.681 -24.685 1.00 71.20 H new ATOM 0 HZ1 LYS A 28 -31.174 -6.600 -24.712 1.00 53.32 H new ATOM 0 HZ2 LYS A 28 -29.976 -7.801 -24.789 1.00 53.32 H new ATOM 0 HZ3 LYS A 28 -30.808 -7.524 -23.335 1.00 53.32 H new TER 528 LYS A 28