USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 SER OG : rot 180:sc= 0.289 USER MOD Set 1.2: B 26 THR OG1 : rot 130:sc= 0.298 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -148:sc= -0.0275 (180deg=-1.9) USER MOD Set 2.2: A 31 LYS NZ :NH3+ 154:sc= -0.0687 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= -0.0282 (180deg=-0.244) USER MOD Single : A 6 LYS NZ :NH3+ -137:sc= -0.935 (180deg=-3.35!) USER MOD Single : A 10 THR OG1 : rot 74:sc= 0.362 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00874) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00752 USER MOD Single : A 28 THR OG1 : rot 78:sc= 0.409 USER MOD Single : A 29 TYR OH : rot -54:sc= 0.44 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc=-0.000873 (180deg=-0.117) USER MOD Single : B 6 LYS NZ :NH3+ 151:sc= 0.0243 (180deg=0) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot -150:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -150:sc= -0.962 (180deg=-1.99!) USER MOD Single : B 15 SER OG : rot 77:sc= 0.124 USER MOD Single : B 16 MET CE :methyl 162:sc= -0.079 (180deg=-0.512) USER MOD Single : B 18 LYS NZ :NH3+ 170:sc= -0.0147 (180deg=-0.182) USER MOD Single : B 19 LYS NZ :NH3+ -112:sc= -0.705 (180deg=-1.8) USER MOD Single : B 27 MET CE :methyl -165:sc= -0.0796 (180deg=-0.372) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ -153:sc= -1.24 (180deg=-2.31!) USER MOD Single : B 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0748) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 0.178 -13.027 2.212 1.00 0.00 N ATOM 27 CA ILE A 3 -1.147 -12.409 2.408 1.00 0.00 C ATOM 28 C ILE A 3 -2.181 -13.140 1.533 1.00 0.00 C ATOM 29 O ILE A 3 -1.976 -13.329 0.332 1.00 0.00 O ATOM 30 CB ILE A 3 -1.091 -10.907 2.017 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.035 -10.147 2.861 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.485 -10.245 2.119 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.063 -8.635 2.571 1.00 0.00 C ATOM 0 HA ILE A 3 -1.436 -12.490 3.456 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.781 -10.848 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.267 -10.285 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.941 -10.599 2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.410 -9.194 1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.178 -10.751 1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.850 -10.322 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.827 -8.191 3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.329 -8.482 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.898 -8.163 2.774 1.00 0.00 H new ATOM 45 N PRO A 4 -3.317 -13.568 2.102 1.00 0.00 N ATOM 46 CA PRO A 4 -4.360 -14.310 1.371 1.00 0.00 C ATOM 47 C PRO A 4 -5.262 -13.398 0.531 1.00 0.00 C ATOM 48 O PRO A 4 -5.265 -12.170 0.626 1.00 0.00 O ATOM 49 CB PRO A 4 -5.161 -14.962 2.508 1.00 0.00 C ATOM 50 CG PRO A 4 -5.126 -13.890 3.587 1.00 0.00 C ATOM 51 CD PRO A 4 -3.679 -13.377 3.517 1.00 0.00 C ATOM 0 HA PRO A 4 -3.940 -15.014 0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.180 -15.199 2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.705 -15.893 2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.846 -13.096 3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.362 -14.298 4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.609 -12.330 3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.021 -13.939 4.180 1.00 0.00 H new ATOM 59 N LYS A 5 -6.079 -14.062 -0.293 1.00 0.00 N ATOM 60 CA LYS A 5 -7.014 -13.372 -1.202 1.00 0.00 C ATOM 61 C LYS A 5 -7.929 -12.400 -0.449 1.00 0.00 C ATOM 62 O LYS A 5 -8.067 -11.225 -0.787 1.00 0.00 O ATOM 63 CB LYS A 5 -7.883 -14.426 -1.925 1.00 0.00 C ATOM 64 CG LYS A 5 -8.845 -13.800 -2.962 1.00 0.00 C ATOM 65 CD LYS A 5 -9.829 -14.822 -3.573 1.00 0.00 C ATOM 66 CE LYS A 5 -10.788 -15.444 -2.535 1.00 0.00 C ATOM 67 NZ LYS A 5 -11.566 -14.381 -1.874 1.00 0.00 N ATOM 0 H LYS A 5 -6.115 -15.080 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.427 -12.796 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.234 -15.144 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.462 -14.981 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.411 -13.000 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.261 -13.345 -3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.415 -14.331 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.262 -15.618 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.460 -16.149 -3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.221 -16.007 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.344 -14.807 -1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.947 -13.847 -1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.956 -13.738 -2.593 1.00 0.00 H new ATOM 81 N LYS A 6 -8.553 -12.928 0.609 1.00 0.00 N ATOM 82 CA LYS A 6 -9.511 -12.164 1.435 1.00 0.00 C ATOM 83 C LYS A 6 -8.954 -10.798 1.859 1.00 0.00 C ATOM 84 O LYS A 6 -9.558 -9.745 1.654 1.00 0.00 O ATOM 85 CB LYS A 6 -9.849 -12.995 2.692 1.00 0.00 C ATOM 86 CG LYS A 6 -10.886 -12.305 3.609 1.00 0.00 C ATOM 87 CD LYS A 6 -11.329 -13.144 4.832 1.00 0.00 C ATOM 88 CE LYS A 6 -10.222 -13.420 5.878 1.00 0.00 C ATOM 89 NZ LYS A 6 -9.241 -14.389 5.366 1.00 0.00 N ATOM 0 H LYS A 6 -8.414 -13.889 0.920 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.403 -11.978 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.233 -13.968 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.935 -13.177 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.467 -11.364 3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.767 -12.058 3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.153 -12.629 5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.717 -14.099 4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.718 -12.488 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.671 -13.802 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.008 -15.074 6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.643 -14.891 4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.378 -13.888 5.074 1.00 0.00 H new ATOM 103 N ILE A 7 -7.760 -10.837 2.457 1.00 0.00 N ATOM 104 CA ILE A 7 -7.088 -9.613 2.933 1.00 0.00 C ATOM 105 C ILE A 7 -6.860 -8.599 1.805 1.00 0.00 C ATOM 106 O ILE A 7 -7.075 -7.398 1.960 1.00 0.00 O ATOM 107 CB ILE A 7 -5.753 -9.974 3.638 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.990 -10.841 4.901 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.906 -8.723 3.979 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.805 -10.134 6.007 1.00 0.00 C ATOM 0 H ILE A 7 -7.236 -11.696 2.625 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.749 -9.134 3.655 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.180 -10.565 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.509 -11.754 4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.025 -11.139 5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.983 -9.031 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.666 -8.185 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.472 -8.071 4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.927 -10.807 6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.278 -9.236 6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.785 -9.860 5.618 1.00 0.00 H new ATOM 122 N TRP A 8 -6.404 -9.097 0.649 1.00 0.00 N ATOM 123 CA TRP A 8 -6.203 -8.231 -0.532 1.00 0.00 C ATOM 124 C TRP A 8 -7.466 -7.444 -0.912 1.00 0.00 C ATOM 125 O TRP A 8 -7.445 -6.238 -1.154 1.00 0.00 O ATOM 126 CB TRP A 8 -5.705 -9.054 -1.739 1.00 0.00 C ATOM 127 CG TRP A 8 -4.258 -9.494 -1.508 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.764 -10.808 -1.523 1.00 0.00 C ATOM 129 CD2 TRP A 8 -3.140 -8.676 -1.251 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.427 -10.829 -1.280 1.00 0.00 N ATOM 131 CE2 TRP A 8 -2.021 -9.536 -1.112 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.975 -7.292 -1.145 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.762 -8.984 -0.864 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.711 -6.756 -0.898 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.608 -7.600 -0.758 1.00 0.00 C ATOM 0 H TRP A 8 -6.169 -10.078 0.501 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.440 -7.503 -0.255 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.341 -9.927 -1.882 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.772 -8.458 -2.649 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.367 -11.686 -1.704 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.835 -11.658 -1.232 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.827 -6.637 -1.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.096 -9.630 -0.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.586 -5.687 -0.815 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.369 -7.181 -0.567 1.00 0.00 H new ATOM 146 N GLU A 9 -8.591 -8.161 -0.958 1.00 0.00 N ATOM 147 CA GLU A 9 -9.894 -7.539 -1.269 1.00 0.00 C ATOM 148 C GLU A 9 -10.280 -6.459 -0.241 1.00 0.00 C ATOM 149 O GLU A 9 -10.789 -5.384 -0.558 1.00 0.00 O ATOM 150 CB GLU A 9 -11.005 -8.615 -1.330 1.00 0.00 C ATOM 151 CG GLU A 9 -10.727 -9.822 -2.268 1.00 0.00 C ATOM 152 CD GLU A 9 -10.323 -9.383 -3.686 1.00 0.00 C ATOM 153 OE1 GLU A 9 -9.174 -8.988 -3.883 1.00 0.00 O ATOM 154 OE2 GLU A 9 -11.165 -9.442 -4.580 1.00 0.00 O ATOM 0 H GLU A 9 -8.634 -9.166 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.794 -7.058 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.173 -8.994 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.931 -8.137 -1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.934 -10.435 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.618 -10.447 -2.324 1.00 0.00 H new ATOM 161 N THR A 10 -10.027 -6.778 1.032 1.00 0.00 N ATOM 162 CA THR A 10 -10.351 -5.877 2.158 1.00 0.00 C ATOM 163 C THR A 10 -9.607 -4.535 2.070 1.00 0.00 C ATOM 164 O THR A 10 -10.180 -3.446 2.124 1.00 0.00 O ATOM 165 CB THR A 10 -10.008 -6.594 3.489 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.807 -7.775 3.609 1.00 0.00 O ATOM 167 CG2 THR A 10 -10.238 -5.713 4.738 1.00 0.00 C ATOM 0 H THR A 10 -9.596 -7.658 1.316 1.00 0.00 H new ATOM 0 HA THR A 10 -11.416 -5.648 2.113 1.00 0.00 H new ATOM 0 HB THR A 10 -8.945 -6.831 3.451 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.465 -8.464 3.002 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.978 -6.277 5.634 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.612 -4.823 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.286 -5.417 4.787 1.00 0.00 H new ATOM 175 N VAL A 11 -8.281 -4.634 1.949 1.00 0.00 N ATOM 176 CA VAL A 11 -7.404 -3.451 1.840 1.00 0.00 C ATOM 177 C VAL A 11 -7.613 -2.655 0.542 1.00 0.00 C ATOM 178 O VAL A 11 -7.387 -1.451 0.460 1.00 0.00 O ATOM 179 CB VAL A 11 -5.913 -3.859 1.974 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.638 -4.563 3.320 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.403 -4.707 0.786 1.00 0.00 C ATOM 0 H VAL A 11 -7.783 -5.524 1.923 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.682 -2.794 2.664 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.345 -2.929 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.584 -4.835 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.886 -3.889 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.249 -5.463 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.354 -4.958 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.989 -5.623 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.506 -4.138 -0.138 1.00 0.00 H new ATOM 191 N CYS A 12 -8.092 -3.377 -0.475 1.00 0.00 N ATOM 192 CA CYS A 12 -8.124 -2.918 -1.877 1.00 0.00 C ATOM 193 C CYS A 12 -8.533 -1.447 -2.102 1.00 0.00 C ATOM 194 O CYS A 12 -7.790 -0.702 -2.738 1.00 0.00 O ATOM 195 CB CYS A 12 -9.082 -3.836 -2.655 1.00 0.00 C ATOM 196 SG CYS A 12 -8.644 -3.941 -4.396 1.00 0.00 S ATOM 0 H CYS A 12 -8.476 -4.314 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.095 -2.972 -2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.066 -4.833 -2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.101 -3.462 -2.559 1.00 0.00 H new ATOM 201 N PRO A 13 -9.694 -0.973 -1.615 1.00 0.00 N ATOM 202 CA PRO A 13 -10.147 0.413 -1.839 1.00 0.00 C ATOM 203 C PRO A 13 -9.239 1.458 -1.178 1.00 0.00 C ATOM 204 O PRO A 13 -8.883 2.493 -1.740 1.00 0.00 O ATOM 205 CB PRO A 13 -11.563 0.438 -1.240 1.00 0.00 C ATOM 206 CG PRO A 13 -11.507 -0.621 -0.149 1.00 0.00 C ATOM 207 CD PRO A 13 -10.651 -1.725 -0.786 1.00 0.00 C ATOM 0 HA PRO A 13 -10.123 0.676 -2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.810 1.419 -0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.320 0.203 -1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.055 -0.236 0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.501 -0.982 0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.144 -2.327 -0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.254 -2.407 -1.386 1.00 0.00 H new ATOM 215 N THR A 14 -8.867 1.155 0.068 1.00 0.00 N ATOM 216 CA THR A 14 -8.003 2.034 0.879 1.00 0.00 C ATOM 217 C THR A 14 -6.650 2.290 0.193 1.00 0.00 C ATOM 218 O THR A 14 -6.170 3.415 0.047 1.00 0.00 O ATOM 219 CB THR A 14 -7.781 1.363 2.256 1.00 0.00 C ATOM 220 OG1 THR A 14 -9.044 1.055 2.854 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.971 2.234 3.236 1.00 0.00 C ATOM 0 H THR A 14 -9.151 0.300 0.546 1.00 0.00 H new ATOM 0 HA THR A 14 -8.493 3.000 0.998 1.00 0.00 H new ATOM 0 HB THR A 14 -7.203 0.458 2.066 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.899 0.629 3.724 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.852 1.704 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.989 2.443 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.498 3.172 3.410 1.00 0.00 H new ATOM 229 N VAL A 15 -6.029 1.188 -0.236 1.00 0.00 N ATOM 230 CA VAL A 15 -4.710 1.221 -0.900 1.00 0.00 C ATOM 231 C VAL A 15 -4.751 1.801 -2.323 1.00 0.00 C ATOM 232 O VAL A 15 -3.792 2.392 -2.817 1.00 0.00 O ATOM 233 CB VAL A 15 -4.067 -0.191 -0.910 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.882 -0.737 0.521 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.833 -1.201 -1.792 1.00 0.00 C ATOM 0 H VAL A 15 -6.418 0.250 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.093 1.899 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.083 -0.069 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.429 -1.728 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.234 -0.067 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.852 -0.803 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.332 -2.169 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.853 -1.306 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.855 -0.842 -2.821 1.00 0.00 H new ATOM 245 N GLU A 16 -5.903 1.616 -2.983 1.00 0.00 N ATOM 246 CA GLU A 16 -6.094 1.964 -4.409 1.00 0.00 C ATOM 247 C GLU A 16 -5.520 3.335 -4.820 1.00 0.00 C ATOM 248 O GLU A 16 -4.661 3.393 -5.699 1.00 0.00 O ATOM 249 CB GLU A 16 -7.607 1.866 -4.744 1.00 0.00 C ATOM 250 CG GLU A 16 -8.005 2.165 -6.213 1.00 0.00 C ATOM 251 CD GLU A 16 -7.875 3.659 -6.555 1.00 0.00 C ATOM 252 OE1 GLU A 16 -8.540 4.474 -5.919 1.00 0.00 O ATOM 253 OE2 GLU A 16 -7.113 3.990 -7.460 1.00 0.00 O ATOM 0 H GLU A 16 -6.735 1.220 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.519 1.246 -4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.949 0.861 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.147 2.556 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.374 1.584 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.032 1.843 -6.383 1.00 0.00 H new ATOM 260 N PRO A 17 -5.939 4.458 -4.216 1.00 0.00 N ATOM 261 CA PRO A 17 -5.506 5.805 -4.637 1.00 0.00 C ATOM 262 C PRO A 17 -3.989 6.000 -4.555 1.00 0.00 C ATOM 263 O PRO A 17 -3.334 6.549 -5.442 1.00 0.00 O ATOM 264 CB PRO A 17 -6.250 6.752 -3.677 1.00 0.00 C ATOM 265 CG PRO A 17 -6.490 5.896 -2.442 1.00 0.00 C ATOM 266 CD PRO A 17 -6.824 4.525 -3.042 1.00 0.00 C ATOM 0 HA PRO A 17 -5.739 5.991 -5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.654 7.634 -3.443 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.187 7.105 -4.108 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.609 5.854 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.308 6.282 -1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.625 3.716 -2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.875 4.452 -3.323 1.00 0.00 H new ATOM 274 N TRP A 18 -3.429 5.524 -3.440 1.00 0.00 N ATOM 275 CA TRP A 18 -1.976 5.607 -3.201 1.00 0.00 C ATOM 276 C TRP A 18 -1.172 4.847 -4.265 1.00 0.00 C ATOM 277 O TRP A 18 -0.156 5.307 -4.779 1.00 0.00 O ATOM 278 CB TRP A 18 -1.621 5.061 -1.800 1.00 0.00 C ATOM 279 CG TRP A 18 -2.447 5.771 -0.720 1.00 0.00 C ATOM 280 CD1 TRP A 18 -2.715 7.146 -0.621 1.00 0.00 C ATOM 281 CD2 TRP A 18 -3.057 5.190 0.406 1.00 0.00 C ATOM 282 NE1 TRP A 18 -3.447 7.423 0.491 1.00 0.00 N ATOM 283 CE2 TRP A 18 -3.669 6.241 1.137 1.00 0.00 C ATOM 284 CE3 TRP A 18 -3.118 3.880 0.883 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -4.344 5.943 2.322 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -3.791 3.599 2.072 1.00 0.00 C ATOM 287 CH2 TRP A 18 -4.403 4.629 2.790 1.00 0.00 C ATOM 0 H TRP A 18 -3.953 5.078 -2.687 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.706 6.661 -3.261 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.809 3.988 -1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.558 5.205 -1.606 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.383 7.886 -1.334 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.770 8.344 0.788 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.643 3.082 0.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.823 6.734 2.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.839 2.584 2.438 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.924 4.408 3.710 1.00 0.00 H new ATOM 298 N ALA A 19 -1.663 3.645 -4.593 1.00 0.00 N ATOM 299 CA ALA A 19 -1.022 2.771 -5.598 1.00 0.00 C ATOM 300 C ALA A 19 -0.814 3.486 -6.941 1.00 0.00 C ATOM 301 O ALA A 19 0.236 3.408 -7.582 1.00 0.00 O ATOM 302 CB ALA A 19 -1.881 1.511 -5.812 1.00 0.00 C ATOM 0 H ALA A 19 -2.506 3.249 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.039 2.497 -5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.406 0.868 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.975 0.970 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.871 1.801 -6.164 1.00 0.00 H new ATOM 308 N LYS A 20 -1.867 4.192 -7.371 1.00 0.00 N ATOM 309 CA LYS A 20 -1.802 5.019 -8.592 1.00 0.00 C ATOM 310 C LYS A 20 -0.693 6.075 -8.477 1.00 0.00 C ATOM 311 O LYS A 20 0.162 6.250 -9.344 1.00 0.00 O ATOM 312 CB LYS A 20 -3.148 5.741 -8.829 1.00 0.00 C ATOM 313 CG LYS A 20 -4.407 4.844 -8.847 1.00 0.00 C ATOM 314 CD LYS A 20 -4.434 3.733 -9.922 1.00 0.00 C ATOM 315 CE LYS A 20 -3.608 2.481 -9.554 1.00 0.00 C ATOM 316 NZ LYS A 20 -3.750 1.478 -10.619 1.00 0.00 N ATOM 0 H LYS A 20 -2.771 4.210 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.587 4.355 -9.429 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.275 6.494 -8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.090 6.271 -9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.510 4.377 -7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.280 5.481 -8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.468 3.435 -10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.058 4.141 -10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.559 2.747 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.950 2.071 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.697 0.524 -10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.668 1.601 -11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.985 1.598 -11.313 1.00 0.00 H new ATOM 330 N LYS A 21 -0.743 6.799 -7.354 1.00 0.00 N ATOM 331 CA LYS A 21 0.265 7.829 -7.037 1.00 0.00 C ATOM 332 C LYS A 21 1.495 7.223 -6.333 1.00 0.00 C ATOM 333 O LYS A 21 1.998 7.681 -5.305 1.00 0.00 O ATOM 334 CB LYS A 21 -0.402 8.894 -6.137 1.00 0.00 C ATOM 335 CG LYS A 21 -1.601 9.595 -6.812 1.00 0.00 C ATOM 336 CD LYS A 21 -2.267 10.645 -5.900 1.00 0.00 C ATOM 337 CE LYS A 21 -1.341 11.834 -5.569 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.042 12.766 -4.674 1.00 0.00 N ATOM 0 H LYS A 21 -1.469 6.694 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 21 0.621 8.281 -7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.738 8.422 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.340 9.643 -5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.265 10.078 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.340 8.847 -7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.169 11.019 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.579 10.166 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.427 11.476 -5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.046 12.345 -6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.401 13.542 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.874 13.155 -5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.347 12.262 -3.817 1.00 0.00 H new ATOM 352 N CYS A 22 2.000 6.148 -6.943 1.00 0.00 N ATOM 353 CA CYS A 22 3.195 5.442 -6.443 1.00 0.00 C ATOM 354 C CYS A 22 3.811 4.591 -7.563 1.00 0.00 C ATOM 355 O CYS A 22 3.231 4.355 -8.626 1.00 0.00 O ATOM 356 CB CYS A 22 2.801 4.534 -5.252 1.00 0.00 C ATOM 357 SG CYS A 22 4.244 3.852 -4.402 1.00 0.00 S ATOM 0 H CYS A 22 1.601 5.741 -7.789 1.00 0.00 H new ATOM 0 HA CYS A 22 3.930 6.175 -6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.202 5.107 -4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.175 3.718 -5.612 1.00 0.00 H new ATOM 362 N SER A 23 5.025 4.104 -7.299 1.00 0.00 N ATOM 363 CA SER A 23 5.792 3.327 -8.294 1.00 0.00 C ATOM 364 C SER A 23 6.729 2.309 -7.625 1.00 0.00 C ATOM 365 O SER A 23 6.756 2.097 -6.410 1.00 0.00 O ATOM 366 CB SER A 23 6.624 4.296 -9.171 1.00 0.00 C ATOM 367 OG SER A 23 5.765 5.211 -9.857 1.00 0.00 O ATOM 0 H SER A 23 5.504 4.230 -6.407 1.00 0.00 H new ATOM 0 HA SER A 23 5.082 2.774 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.329 4.847 -8.548 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.212 3.729 -9.893 1.00 0.00 H new ATOM 0 HG SER A 23 6.305 5.818 -10.406 1.00 0.00 H new ATOM 373 N GLY A 24 7.517 1.647 -8.476 1.00 0.00 N ATOM 374 CA GLY A 24 8.468 0.615 -8.028 1.00 0.00 C ATOM 375 C GLY A 24 7.846 -0.786 -8.003 1.00 0.00 C ATOM 376 O GLY A 24 6.667 -1.023 -8.265 1.00 0.00 O ATOM 0 H GLY A 24 7.518 1.805 -9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.334 0.612 -8.689 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.829 0.867 -7.031 1.00 0.00 H new ATOM 380 N ASP A 25 8.713 -1.740 -7.654 1.00 0.00 N ATOM 381 CA ASP A 25 8.357 -3.173 -7.636 1.00 0.00 C ATOM 382 C ASP A 25 7.191 -3.489 -6.691 1.00 0.00 C ATOM 383 O ASP A 25 6.257 -4.224 -7.008 1.00 0.00 O ATOM 384 CB ASP A 25 9.594 -3.994 -7.205 1.00 0.00 C ATOM 385 CG ASP A 25 10.756 -3.764 -8.183 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.650 -4.177 -9.337 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.751 -3.162 -7.780 1.00 0.00 O ATOM 0 H ASP A 25 9.676 -1.550 -7.377 1.00 0.00 H new ATOM 0 HA ASP A 25 8.036 -3.439 -8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.896 -3.707 -6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.342 -5.054 -7.173 1.00 0.00 H new ATOM 392 N ILE A 26 7.275 -2.918 -5.489 1.00 0.00 N ATOM 393 CA ILE A 26 6.262 -3.153 -4.440 1.00 0.00 C ATOM 394 C ILE A 26 4.880 -2.623 -4.848 1.00 0.00 C ATOM 395 O ILE A 26 3.847 -3.265 -4.670 1.00 0.00 O ATOM 396 CB ILE A 26 6.704 -2.494 -3.112 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.152 -2.871 -2.709 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.707 -2.834 -1.980 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.369 -4.381 -2.474 1.00 0.00 C ATOM 0 H ILE A 26 8.029 -2.290 -5.211 1.00 0.00 H new ATOM 0 HA ILE A 26 6.179 -4.231 -4.304 1.00 0.00 H new ATOM 0 HB ILE A 26 6.699 -1.416 -3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.834 -2.534 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.417 -2.331 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.034 -2.362 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.716 -2.465 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.667 -3.915 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.408 -4.560 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.714 -4.722 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.138 -4.928 -3.388 1.00 0.00 H new ATOM 411 N ALA A 27 4.870 -1.400 -5.390 1.00 0.00 N ATOM 412 CA ALA A 27 3.623 -0.787 -5.894 1.00 0.00 C ATOM 413 C ALA A 27 2.919 -1.696 -6.912 1.00 0.00 C ATOM 414 O ALA A 27 1.711 -1.940 -6.875 1.00 0.00 O ATOM 415 CB ALA A 27 3.941 0.574 -6.549 1.00 0.00 C ATOM 0 H ALA A 27 5.699 -0.815 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 27 2.952 -0.645 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.020 1.024 -6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.396 1.235 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.632 0.426 -7.379 1.00 0.00 H new ATOM 421 N THR A 28 3.729 -2.214 -7.840 1.00 0.00 N ATOM 422 CA THR A 28 3.257 -3.164 -8.866 1.00 0.00 C ATOM 423 C THR A 28 2.668 -4.441 -8.242 1.00 0.00 C ATOM 424 O THR A 28 1.627 -4.957 -8.643 1.00 0.00 O ATOM 425 CB THR A 28 4.437 -3.527 -9.802 1.00 0.00 C ATOM 426 OG1 THR A 28 4.957 -2.332 -10.393 1.00 0.00 O ATOM 427 CG2 THR A 28 4.038 -4.501 -10.931 1.00 0.00 C ATOM 0 H THR A 28 4.723 -1.993 -7.906 1.00 0.00 H new ATOM 0 HA THR A 28 2.459 -2.684 -9.433 1.00 0.00 H new ATOM 0 HB THR A 28 5.185 -4.026 -9.186 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.521 -1.864 -9.742 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.908 -4.715 -11.551 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.665 -5.428 -10.496 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.259 -4.048 -11.544 1.00 0.00 H new ATOM 435 N TYR A 29 3.378 -4.953 -7.231 1.00 0.00 N ATOM 436 CA TYR A 29 2.977 -6.188 -6.529 1.00 0.00 C ATOM 437 C TYR A 29 1.577 -6.079 -5.913 1.00 0.00 C ATOM 438 O TYR A 29 0.652 -6.818 -6.243 1.00 0.00 O ATOM 439 CB TYR A 29 4.018 -6.513 -5.430 1.00 0.00 C ATOM 440 CG TYR A 29 3.567 -7.597 -4.471 1.00 0.00 C ATOM 441 CD1 TYR A 29 3.315 -8.891 -4.935 1.00 0.00 C ATOM 442 CD2 TYR A 29 3.379 -7.291 -3.121 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.870 -9.875 -4.048 1.00 0.00 C ATOM 444 CE2 TYR A 29 2.934 -8.275 -2.236 1.00 0.00 C ATOM 445 CZ TYR A 29 2.681 -9.566 -2.698 1.00 0.00 C ATOM 446 OH TYR A 29 2.241 -10.536 -1.820 1.00 0.00 O ATOM 0 H TYR A 29 4.237 -4.533 -6.876 1.00 0.00 H new ATOM 0 HA TYR A 29 2.941 -6.993 -7.263 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.950 -6.823 -5.903 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.233 -5.606 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.464 -9.130 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.578 -6.292 -2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.672 -10.875 -4.406 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.786 -8.036 -1.193 1.00 0.00 H new ATOM 0 HH TYR A 29 1.414 -10.935 -2.161 1.00 0.00 H new ATOM 456 N ILE A 30 1.436 -5.118 -4.994 1.00 0.00 N ATOM 457 CA ILE A 30 0.166 -4.864 -4.285 1.00 0.00 C ATOM 458 C ILE A 30 -1.012 -4.724 -5.262 1.00 0.00 C ATOM 459 O ILE A 30 -2.085 -5.312 -5.120 1.00 0.00 O ATOM 460 CB ILE A 30 0.320 -3.559 -3.458 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.452 -3.686 -2.409 1.00 0.00 C ATOM 462 CG2 ILE A 30 -1.011 -3.139 -2.788 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.823 -2.338 -1.752 1.00 0.00 C ATOM 0 H ILE A 30 2.193 -4.493 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.049 -5.712 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 30 0.596 -2.770 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.144 -4.388 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.337 -4.106 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.859 -2.222 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.767 -2.969 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.346 -3.930 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.622 -2.494 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.160 -1.640 -2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.949 -1.927 -1.246 1.00 0.00 H new ATOM 475 N LYS A 31 -0.764 -3.907 -6.287 1.00 0.00 N ATOM 476 CA LYS A 31 -1.750 -3.630 -7.346 1.00 0.00 C ATOM 477 C LYS A 31 -2.227 -4.913 -8.047 1.00 0.00 C ATOM 478 O LYS A 31 -3.400 -5.104 -8.363 1.00 0.00 O ATOM 479 CB LYS A 31 -1.102 -2.659 -8.352 1.00 0.00 C ATOM 480 CG LYS A 31 -2.079 -2.122 -9.418 1.00 0.00 C ATOM 481 CD LYS A 31 -1.447 -1.027 -10.306 1.00 0.00 C ATOM 482 CE LYS A 31 -0.981 0.203 -9.495 1.00 0.00 C ATOM 483 NZ LYS A 31 -0.513 1.254 -10.409 1.00 0.00 N ATOM 0 H LYS A 31 0.122 -3.417 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.639 -3.183 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.676 -1.817 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.277 -3.166 -8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.413 -2.947 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.963 -1.719 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.596 -1.447 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.172 -0.710 -11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.801 0.579 -8.884 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.180 -0.082 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.619 2.183 -9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.488 1.093 -10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.077 1.231 -11.282 1.00 0.00 H new ATOM 497 N ARG A 32 -1.270 -5.806 -8.307 1.00 0.00 N ATOM 498 CA ARG A 32 -1.569 -7.118 -8.914 1.00 0.00 C ATOM 499 C ARG A 32 -2.427 -8.001 -7.992 1.00 0.00 C ATOM 500 O ARG A 32 -3.394 -8.644 -8.396 1.00 0.00 O ATOM 501 CB ARG A 32 -0.239 -7.834 -9.244 1.00 0.00 C ATOM 502 CG ARG A 32 -0.434 -9.185 -9.965 1.00 0.00 C ATOM 503 CD ARG A 32 0.911 -9.866 -10.286 1.00 0.00 C ATOM 504 NE ARG A 32 0.667 -11.153 -10.957 1.00 0.00 N ATOM 505 CZ ARG A 32 1.671 -11.959 -11.314 1.00 0.00 C ATOM 506 NH1 ARG A 32 2.940 -11.631 -11.078 1.00 0.00 N ATOM 507 NH2 ARG A 32 1.398 -13.112 -11.916 1.00 0.00 N ATOM 0 H ARG A 32 -0.281 -5.651 -8.110 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.145 -6.949 -9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.371 -7.182 -9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.315 -8.000 -8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.035 -9.846 -9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.990 -9.026 -10.889 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.513 -9.220 -10.925 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.478 -10.025 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.293 -11.437 -11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.161 -10.749 -10.616 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.691 -12.262 -11.359 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.430 -13.374 -12.101 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.157 -13.735 -12.193 1.00 0.00 H new ATOM 521 N GLU A 33 -2.050 -8.016 -6.709 1.00 0.00 N ATOM 522 CA GLU A 33 -2.668 -8.923 -5.723 1.00 0.00 C ATOM 523 C GLU A 33 -4.193 -8.776 -5.628 1.00 0.00 C ATOM 524 O GLU A 33 -4.946 -9.733 -5.809 1.00 0.00 O ATOM 525 CB GLU A 33 -2.030 -8.712 -4.334 1.00 0.00 C ATOM 526 CG GLU A 33 -0.537 -9.112 -4.244 1.00 0.00 C ATOM 527 CD GLU A 33 -0.368 -10.634 -4.362 1.00 0.00 C ATOM 528 OE1 GLU A 33 -0.402 -11.150 -5.478 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.212 -11.289 -3.332 1.00 0.00 O ATOM 0 H GLU A 33 -1.322 -7.414 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.475 -9.937 -6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.129 -7.662 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.592 -9.288 -3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.024 -8.617 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.121 -8.768 -3.297 1.00 0.00 H new ATOM 536 N CYS A 34 -4.651 -7.561 -5.317 1.00 0.00 N ATOM 537 CA CYS A 34 -6.103 -7.290 -5.328 1.00 0.00 C ATOM 538 C CYS A 34 -6.616 -6.920 -6.723 1.00 0.00 C ATOM 539 O CYS A 34 -7.568 -7.489 -7.254 1.00 0.00 O ATOM 540 CB CYS A 34 -6.506 -6.150 -4.380 1.00 0.00 C ATOM 541 SG CYS A 34 -8.298 -5.920 -4.559 1.00 0.00 S ATOM 0 H CYS A 34 -4.064 -6.767 -5.061 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.554 -8.224 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.250 -6.396 -3.350 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.972 -5.233 -4.631 1.00 0.00 H new ATOM 546 N GLY A 35 -5.967 -5.906 -7.304 1.00 0.00 N ATOM 547 CA GLY A 35 -6.421 -5.300 -8.573 1.00 0.00 C ATOM 548 C GLY A 35 -6.649 -6.343 -9.669 1.00 0.00 C ATOM 549 O GLY A 35 -7.702 -6.427 -10.302 1.00 0.00 O ATOM 0 H GLY A 35 -5.123 -5.482 -6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.347 -4.751 -8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.680 -4.576 -8.912 1.00 0.00 H new ATOM 553 N LYS A 36 -5.607 -7.150 -9.893 1.00 0.00 N ATOM 554 CA LYS A 36 -5.710 -8.290 -10.819 1.00 0.00 C ATOM 555 C LYS A 36 -6.236 -9.534 -10.076 1.00 0.00 C ATOM 556 O LYS A 36 -5.624 -10.602 -9.996 1.00 0.00 O ATOM 557 CB LYS A 36 -4.322 -8.543 -11.452 1.00 0.00 C ATOM 558 CG LYS A 36 -4.371 -9.509 -12.654 1.00 0.00 C ATOM 559 CD LYS A 36 -2.974 -9.785 -13.253 1.00 0.00 C ATOM 560 CE LYS A 36 -2.250 -8.513 -13.748 1.00 0.00 C ATOM 561 NZ LYS A 36 -3.061 -7.841 -14.774 1.00 0.00 N ATOM 0 H LYS A 36 -4.693 -7.040 -9.454 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.421 -8.067 -11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.898 -7.592 -11.775 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.652 -8.950 -10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.820 -10.451 -12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.017 -9.090 -13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.356 -10.275 -12.501 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.076 -10.482 -14.085 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.073 -7.837 -12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.275 -8.776 -14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.506 -7.077 -15.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.337 -8.529 -15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.915 -7.441 -14.335 1.00 0.00 H new ATOM 666 N VAL B 5 -5.153 -7.795 10.791 1.00 0.00 N ATOM 667 CA VAL B 5 -5.127 -7.304 9.396 1.00 0.00 C ATOM 668 C VAL B 5 -4.135 -6.149 9.190 1.00 0.00 C ATOM 669 O VAL B 5 -3.379 -6.098 8.221 1.00 0.00 O ATOM 670 CB VAL B 5 -6.552 -6.872 8.964 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.592 -6.341 7.512 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.569 -8.024 9.129 1.00 0.00 C ATOM 0 HA VAL B 5 -4.784 -8.128 8.770 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.834 -6.055 9.628 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.612 -6.052 7.258 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.936 -5.475 7.423 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.256 -7.122 6.830 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.557 -7.685 8.817 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.264 -8.870 8.513 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.605 -8.331 10.174 1.00 0.00 H new ATOM 682 N LYS B 6 -4.157 -5.195 10.125 1.00 0.00 N ATOM 683 CA LYS B 6 -3.256 -4.026 10.071 1.00 0.00 C ATOM 684 C LYS B 6 -1.778 -4.442 10.043 1.00 0.00 C ATOM 685 O LYS B 6 -0.972 -3.968 9.245 1.00 0.00 O ATOM 686 CB LYS B 6 -3.523 -3.097 11.275 1.00 0.00 C ATOM 687 CG LYS B 6 -2.678 -1.807 11.240 1.00 0.00 C ATOM 688 CD LYS B 6 -2.981 -0.867 12.423 1.00 0.00 C ATOM 689 CE LYS B 6 -2.132 0.419 12.359 1.00 0.00 C ATOM 690 NZ LYS B 6 -2.441 1.282 13.508 1.00 0.00 N ATOM 0 H LYS B 6 -4.785 -5.203 10.929 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.464 -3.491 9.144 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -4.580 -2.832 11.295 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -3.313 -3.638 12.198 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -1.620 -2.070 11.251 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -2.865 -1.280 10.305 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -4.039 -0.606 12.419 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -2.785 -1.387 13.361 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -1.072 0.165 12.359 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -2.333 0.951 11.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -1.604 1.850 13.750 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -3.231 1.914 13.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -2.707 0.693 14.323 1.00 0.00 H new ATOM 704 N LEU B 7 -1.427 -5.351 10.957 1.00 0.00 N ATOM 705 CA LEU B 7 -0.060 -5.906 11.023 1.00 0.00 C ATOM 706 C LEU B 7 0.386 -6.538 9.695 1.00 0.00 C ATOM 707 O LEU B 7 1.544 -6.478 9.284 1.00 0.00 O ATOM 708 CB LEU B 7 0.015 -6.967 12.144 1.00 0.00 C ATOM 709 CG LEU B 7 -0.254 -6.395 13.555 1.00 0.00 C ATOM 710 CD1 LEU B 7 -0.364 -7.530 14.595 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.821 -5.371 13.978 1.00 0.00 C ATOM 0 H LEU B 7 -2.064 -5.721 11.662 1.00 0.00 H new ATOM 0 HA LEU B 7 0.615 -5.076 11.234 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.709 -7.755 11.936 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.002 -7.429 12.130 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.207 -5.868 13.513 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.553 -7.104 15.580 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.184 -8.194 14.323 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.568 -8.095 14.617 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.593 -4.995 14.975 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.799 -5.853 13.987 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.832 -4.541 13.271 1.00 0.00 H new ATOM 723 N THR B 8 -0.576 -7.178 9.025 1.00 0.00 N ATOM 724 CA THR B 8 -0.324 -7.848 7.734 1.00 0.00 C ATOM 725 C THR B 8 0.011 -6.850 6.609 1.00 0.00 C ATOM 726 O THR B 8 1.022 -6.943 5.912 1.00 0.00 O ATOM 727 CB THR B 8 -1.570 -8.686 7.348 1.00 0.00 C ATOM 728 OG1 THR B 8 -1.859 -9.617 8.397 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.394 -9.467 6.032 1.00 0.00 C ATOM 0 H THR B 8 -1.540 -7.250 9.351 1.00 0.00 H new ATOM 0 HA THR B 8 0.546 -8.493 7.854 1.00 0.00 H new ATOM 0 HB THR B 8 -2.389 -7.981 7.203 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.647 -10.147 8.156 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.302 -10.032 5.820 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.203 -8.769 5.217 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.553 -10.154 6.126 1.00 0.00 H new ATOM 737 N ILE B 9 -0.881 -5.869 6.443 1.00 0.00 N ATOM 738 CA ILE B 9 -0.805 -4.920 5.313 1.00 0.00 C ATOM 739 C ILE B 9 0.316 -3.875 5.459 1.00 0.00 C ATOM 740 O ILE B 9 1.075 -3.591 4.534 1.00 0.00 O ATOM 741 CB ILE B 9 -2.189 -4.246 5.103 1.00 0.00 C ATOM 742 CG1 ILE B 9 -2.222 -3.352 3.841 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.661 -3.436 6.331 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.918 -4.109 2.531 1.00 0.00 C ATOM 0 H ILE B 9 -1.666 -5.706 7.073 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.543 -5.496 4.426 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.886 -5.072 4.962 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -3.205 -2.888 3.762 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -1.498 -2.546 3.960 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.633 -2.990 6.121 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.744 -4.098 7.193 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.939 -2.648 6.546 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -1.960 -3.415 1.692 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.923 -4.550 2.588 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -2.656 -4.898 2.387 1.00 0.00 H new ATOM 756 N CYS B 10 0.409 -3.300 6.663 1.00 0.00 N ATOM 757 CA CYS B 10 1.362 -2.213 6.978 1.00 0.00 C ATOM 758 C CYS B 10 2.792 -2.388 6.438 1.00 0.00 C ATOM 759 O CYS B 10 3.292 -1.489 5.765 1.00 0.00 O ATOM 760 CB CYS B 10 1.396 -1.964 8.502 1.00 0.00 C ATOM 761 SG CYS B 10 0.074 -0.832 8.993 1.00 0.00 S ATOM 0 H CYS B 10 -0.174 -3.572 7.454 1.00 0.00 H new ATOM 0 HA CYS B 10 0.974 -1.345 6.444 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.288 -2.910 9.033 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.362 -1.548 8.786 1.00 0.00 H new ATOM 766 N PRO B 11 3.497 -3.501 6.695 1.00 0.00 N ATOM 767 CA PRO B 11 4.874 -3.714 6.208 1.00 0.00 C ATOM 768 C PRO B 11 4.992 -3.644 4.678 1.00 0.00 C ATOM 769 O PRO B 11 5.927 -3.091 4.103 1.00 0.00 O ATOM 770 CB PRO B 11 5.253 -5.106 6.745 1.00 0.00 C ATOM 771 CG PRO B 11 3.909 -5.793 6.938 1.00 0.00 C ATOM 772 CD PRO B 11 3.020 -4.661 7.461 1.00 0.00 C ATOM 0 HA PRO B 11 5.545 -2.929 6.557 1.00 0.00 H new ATOM 0 HB2 PRO B 11 5.884 -5.649 6.041 1.00 0.00 H new ATOM 0 HB3 PRO B 11 5.806 -5.037 7.682 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.529 -6.207 6.004 1.00 0.00 H new ATOM 0 HG3 PRO B 11 3.974 -6.617 7.649 1.00 0.00 H new ATOM 0 HD2 PRO B 11 1.963 -4.859 7.281 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.139 -4.515 8.535 1.00 0.00 H new ATOM 780 N THR B 12 3.998 -4.242 4.015 1.00 0.00 N ATOM 781 CA THR B 12 3.912 -4.210 2.541 1.00 0.00 C ATOM 782 C THR B 12 3.812 -2.765 2.022 1.00 0.00 C ATOM 783 O THR B 12 4.501 -2.334 1.098 1.00 0.00 O ATOM 784 CB THR B 12 2.682 -5.031 2.079 1.00 0.00 C ATOM 785 OG1 THR B 12 2.738 -6.339 2.656 1.00 0.00 O ATOM 786 CG2 THR B 12 2.616 -5.178 0.545 1.00 0.00 C ATOM 0 H THR B 12 3.241 -4.754 4.468 1.00 0.00 H new ATOM 0 HA THR B 12 4.821 -4.650 2.130 1.00 0.00 H new ATOM 0 HB THR B 12 1.794 -4.492 2.408 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.303 -6.980 2.056 1.00 0.00 H new ATOM 0 HG21 THR B 12 1.736 -5.761 0.273 1.00 0.00 H new ATOM 0 HG22 THR B 12 2.553 -4.191 0.087 1.00 0.00 H new ATOM 0 HG23 THR B 12 3.512 -5.686 0.189 1.00 0.00 H new ATOM 794 N LEU B 13 2.913 -2.005 2.656 1.00 0.00 N ATOM 795 CA LEU B 13 2.697 -0.583 2.318 1.00 0.00 C ATOM 796 C LEU B 13 3.941 0.285 2.550 1.00 0.00 C ATOM 797 O LEU B 13 4.224 1.235 1.824 1.00 0.00 O ATOM 798 CB LEU B 13 1.523 -0.010 3.142 1.00 0.00 C ATOM 799 CG LEU B 13 0.158 -0.680 2.870 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.936 -0.047 3.758 1.00 0.00 C ATOM 801 CD2 LEU B 13 -0.242 -0.620 1.381 1.00 0.00 C ATOM 0 H LEU B 13 2.318 -2.347 3.410 1.00 0.00 H new ATOM 0 HA LEU B 13 2.468 -0.553 1.253 1.00 0.00 H new ATOM 0 HB2 LEU B 13 1.757 -0.110 4.202 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.437 1.057 2.934 1.00 0.00 H new ATOM 0 HG LEU B 13 0.258 -1.735 3.126 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.893 -0.529 3.556 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.676 -0.183 4.808 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -1.012 1.018 3.538 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -1.209 -1.105 1.244 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.310 0.421 1.064 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.509 -1.134 0.781 1.00 0.00 H new ATOM 813 N LYS B 14 4.679 -0.033 3.618 1.00 0.00 N ATOM 814 CA LYS B 14 5.940 0.665 3.934 1.00 0.00 C ATOM 815 C LYS B 14 6.962 0.532 2.802 1.00 0.00 C ATOM 816 O LYS B 14 7.595 1.486 2.350 1.00 0.00 O ATOM 817 CB LYS B 14 6.535 0.102 5.244 1.00 0.00 C ATOM 818 CG LYS B 14 5.807 0.596 6.515 1.00 0.00 C ATOM 819 CD LYS B 14 5.987 2.107 6.780 1.00 0.00 C ATOM 820 CE LYS B 14 7.467 2.508 6.963 1.00 0.00 C ATOM 821 NZ LYS B 14 7.562 3.948 7.239 1.00 0.00 N ATOM 0 H LYS B 14 4.430 -0.767 4.281 1.00 0.00 H new ATOM 0 HA LYS B 14 5.713 1.724 4.055 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.496 -0.987 5.213 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.587 0.382 5.306 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.743 0.375 6.424 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.176 0.038 7.376 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.562 2.670 5.949 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.427 2.384 7.673 1.00 0.00 H new ATOM 0 HE2 LYS B 14 7.908 1.941 7.783 1.00 0.00 H new ATOM 0 HE3 LYS B 14 8.034 2.262 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.465 4.313 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.774 4.443 6.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 7.514 4.109 8.265 1.00 0.00 H new ATOM 835 N SER B 15 7.121 -0.712 2.344 1.00 0.00 N ATOM 836 CA SER B 15 8.008 -1.024 1.207 1.00 0.00 C ATOM 837 C SER B 15 7.611 -0.248 -0.059 1.00 0.00 C ATOM 838 O SER B 15 8.432 0.239 -0.835 1.00 0.00 O ATOM 839 CB SER B 15 7.976 -2.545 0.942 1.00 0.00 C ATOM 840 OG SER B 15 8.403 -3.248 2.111 1.00 0.00 O ATOM 0 H SER B 15 6.649 -1.525 2.740 1.00 0.00 H new ATOM 0 HA SER B 15 9.021 -0.715 1.465 1.00 0.00 H new ATOM 0 HB2 SER B 15 6.968 -2.855 0.668 1.00 0.00 H new ATOM 0 HB3 SER B 15 8.625 -2.791 0.101 1.00 0.00 H new ATOM 0 HG SER B 15 7.679 -3.254 2.772 1.00 0.00 H new ATOM 846 N MET B 16 6.292 -0.146 -0.262 1.00 0.00 N ATOM 847 CA MET B 16 5.722 0.628 -1.383 1.00 0.00 C ATOM 848 C MET B 16 6.082 2.119 -1.285 1.00 0.00 C ATOM 849 O MET B 16 6.493 2.774 -2.243 1.00 0.00 O ATOM 850 CB MET B 16 4.185 0.448 -1.382 1.00 0.00 C ATOM 851 CG MET B 16 3.481 1.167 -2.551 1.00 0.00 C ATOM 852 SD MET B 16 1.680 0.987 -2.515 1.00 0.00 S ATOM 853 CE MET B 16 1.282 1.872 -0.985 1.00 0.00 C ATOM 0 H MET B 16 5.594 -0.589 0.335 1.00 0.00 H new ATOM 0 HA MET B 16 6.144 0.255 -2.316 1.00 0.00 H new ATOM 0 HB2 MET B 16 3.952 -0.616 -1.427 1.00 0.00 H new ATOM 0 HB3 MET B 16 3.784 0.823 -0.441 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.735 2.227 -2.523 1.00 0.00 H new ATOM 0 HG3 MET B 16 3.861 0.773 -3.494 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.223 2.130 -0.979 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.505 1.236 -0.128 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.878 2.783 -0.926 1.00 0.00 H new ATOM 863 N ALA B 17 5.921 2.643 -0.065 1.00 0.00 N ATOM 864 CA ALA B 17 6.157 4.068 0.245 1.00 0.00 C ATOM 865 C ALA B 17 7.557 4.545 -0.170 1.00 0.00 C ATOM 866 O ALA B 17 7.775 5.688 -0.569 1.00 0.00 O ATOM 867 CB ALA B 17 5.960 4.298 1.759 1.00 0.00 C ATOM 0 H ALA B 17 5.623 2.094 0.741 1.00 0.00 H new ATOM 0 HA ALA B 17 5.438 4.650 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.133 5.348 1.993 1.00 0.00 H new ATOM 0 HB2 ALA B 17 4.942 4.027 2.039 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.666 3.681 2.316 1.00 0.00 H new ATOM 873 N LYS B 18 8.521 3.625 -0.057 1.00 0.00 N ATOM 874 CA LYS B 18 9.929 3.894 -0.424 1.00 0.00 C ATOM 875 C LYS B 18 10.073 4.618 -1.772 1.00 0.00 C ATOM 876 O LYS B 18 10.860 5.549 -1.942 1.00 0.00 O ATOM 877 CB LYS B 18 10.708 2.564 -0.490 1.00 0.00 C ATOM 878 CG LYS B 18 10.734 1.809 0.857 1.00 0.00 C ATOM 879 CD LYS B 18 11.489 0.463 0.789 1.00 0.00 C ATOM 880 CE LYS B 18 12.979 0.607 0.414 1.00 0.00 C ATOM 881 NZ LYS B 18 13.668 1.442 1.407 1.00 0.00 N ATOM 0 H LYS B 18 8.357 2.679 0.287 1.00 0.00 H new ATOM 0 HA LYS B 18 10.334 4.551 0.346 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.259 1.924 -1.250 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.731 2.765 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.201 2.442 1.611 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.710 1.627 1.183 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.413 -0.036 1.755 1.00 0.00 H new ATOM 0 HD3 LYS B 18 11.000 -0.181 0.058 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.447 -0.376 0.366 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.072 1.053 -0.576 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.695 1.397 1.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.346 2.427 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.452 1.094 2.363 1.00 0.00 H new ATOM 895 N LYS B 19 9.277 4.167 -2.748 1.00 0.00 N ATOM 896 CA LYS B 19 9.313 4.745 -4.104 1.00 0.00 C ATOM 897 C LYS B 19 7.904 5.140 -4.592 1.00 0.00 C ATOM 898 O LYS B 19 7.435 4.796 -5.676 1.00 0.00 O ATOM 899 CB LYS B 19 9.972 3.698 -5.038 1.00 0.00 C ATOM 900 CG LYS B 19 10.238 4.191 -6.478 1.00 0.00 C ATOM 901 CD LYS B 19 10.987 3.138 -7.319 1.00 0.00 C ATOM 902 CE LYS B 19 11.109 3.532 -8.804 1.00 0.00 C ATOM 903 NZ LYS B 19 9.769 3.613 -9.408 1.00 0.00 N ATOM 0 H LYS B 19 8.604 3.410 -2.630 1.00 0.00 H new ATOM 0 HA LYS B 19 9.895 5.666 -4.105 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.917 3.382 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.331 2.817 -5.083 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.290 4.433 -6.959 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.822 5.111 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.984 2.992 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.467 2.183 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.618 4.492 -8.895 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.715 2.798 -9.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 9.654 2.846 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.047 3.520 -8.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 9.658 4.530 -9.885 1.00 0.00 H new ATOM 917 N CYS B 20 7.204 5.901 -3.740 1.00 0.00 N ATOM 918 CA CYS B 20 5.922 6.512 -4.149 1.00 0.00 C ATOM 919 C CYS B 20 6.097 7.945 -4.664 1.00 0.00 C ATOM 920 O CYS B 20 7.125 8.604 -4.507 1.00 0.00 O ATOM 921 CB CYS B 20 4.890 6.485 -3.003 1.00 0.00 C ATOM 922 SG CYS B 20 4.304 4.815 -2.626 1.00 0.00 S ATOM 0 H CYS B 20 7.491 6.108 -2.783 1.00 0.00 H new ATOM 0 HA CYS B 20 5.546 5.905 -4.972 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.336 6.919 -2.108 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.039 7.112 -3.271 1.00 0.00 H new ATOM 927 N GLU B 21 5.025 8.429 -5.298 1.00 0.00 N ATOM 928 CA GLU B 21 5.047 9.748 -5.959 1.00 0.00 C ATOM 929 C GLU B 21 4.469 10.847 -5.057 1.00 0.00 C ATOM 930 O GLU B 21 3.727 10.613 -4.103 1.00 0.00 O ATOM 931 CB GLU B 21 4.222 9.671 -7.268 1.00 0.00 C ATOM 932 CG GLU B 21 4.511 8.411 -8.126 1.00 0.00 C ATOM 933 CD GLU B 21 6.022 8.174 -8.278 1.00 0.00 C ATOM 934 OE1 GLU B 21 6.686 8.969 -8.942 1.00 0.00 O ATOM 935 OE2 GLU B 21 6.518 7.198 -7.717 1.00 0.00 O ATOM 0 H GLU B 21 4.135 7.936 -5.370 1.00 0.00 H new ATOM 0 HA GLU B 21 6.085 10.004 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.161 9.692 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.426 10.559 -7.866 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.049 7.539 -7.663 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.058 8.527 -9.111 1.00 0.00 H new ATOM 942 N GLY B 22 4.816 12.088 -5.414 1.00 0.00 N ATOM 943 CA GLY B 22 4.361 13.295 -4.692 1.00 0.00 C ATOM 944 C GLY B 22 4.821 13.321 -3.228 1.00 0.00 C ATOM 945 O GLY B 22 5.914 13.758 -2.870 1.00 0.00 O ATOM 0 H GLY B 22 5.420 12.291 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.738 14.182 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY B 22 3.273 13.345 -4.727 1.00 0.00 H new ATOM 949 N SER B 23 3.933 12.815 -2.368 1.00 0.00 N ATOM 950 CA SER B 23 4.219 12.653 -0.929 1.00 0.00 C ATOM 951 C SER B 23 3.197 11.687 -0.299 1.00 0.00 C ATOM 952 O SER B 23 2.683 11.834 0.811 1.00 0.00 O ATOM 953 CB SER B 23 4.171 14.037 -0.235 1.00 0.00 C ATOM 954 OG SER B 23 4.630 13.930 1.118 1.00 0.00 O ATOM 0 H SER B 23 3.000 12.506 -2.641 1.00 0.00 H new ATOM 0 HA SER B 23 5.215 12.231 -0.797 1.00 0.00 H new ATOM 0 HB2 SER B 23 4.791 14.747 -0.782 1.00 0.00 H new ATOM 0 HB3 SER B 23 3.152 14.425 -0.251 1.00 0.00 H new ATOM 0 HG SER B 23 4.596 14.811 1.546 1.00 0.00 H new ATOM 960 N ILE B 24 2.913 10.641 -1.077 1.00 0.00 N ATOM 961 CA ILE B 24 2.017 9.551 -0.652 1.00 0.00 C ATOM 962 C ILE B 24 2.679 8.683 0.422 1.00 0.00 C ATOM 963 O ILE B 24 2.060 8.223 1.377 1.00 0.00 O ATOM 964 CB ILE B 24 1.619 8.711 -1.892 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.811 9.550 -2.913 1.00 0.00 C ATOM 966 CG2 ILE B 24 0.872 7.406 -1.529 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.497 10.145 -2.347 1.00 0.00 C ATOM 0 H ILE B 24 3.293 10.521 -2.016 1.00 0.00 H new ATOM 0 HA ILE B 24 1.117 9.975 -0.207 1.00 0.00 H new ATOM 0 HB ILE B 24 2.555 8.410 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.439 10.363 -3.277 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.571 8.924 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE B 24 0.622 6.864 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE B 24 1.510 6.784 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.043 7.649 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.003 10.718 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -1.148 9.338 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.265 10.800 -1.507 1.00 0.00 H new ATOM 979 N ALA B 25 3.983 8.456 0.228 1.00 0.00 N ATOM 980 CA ALA B 25 4.820 7.716 1.191 1.00 0.00 C ATOM 981 C ALA B 25 4.586 8.164 2.642 1.00 0.00 C ATOM 982 O ALA B 25 4.455 7.374 3.579 1.00 0.00 O ATOM 983 CB ALA B 25 6.298 7.968 0.828 1.00 0.00 C ATOM 0 H ALA B 25 4.490 8.777 -0.597 1.00 0.00 H new ATOM 0 HA ALA B 25 4.557 6.660 1.129 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.941 7.431 1.526 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.489 7.616 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.510 9.036 0.887 1.00 0.00 H new ATOM 989 N THR B 26 4.534 9.490 2.806 1.00 0.00 N ATOM 990 CA THR B 26 4.269 10.117 4.114 1.00 0.00 C ATOM 991 C THR B 26 2.929 9.651 4.703 1.00 0.00 C ATOM 992 O THR B 26 2.828 9.172 5.830 1.00 0.00 O ATOM 993 CB THR B 26 4.262 11.657 3.943 1.00 0.00 C ATOM 994 OG1 THR B 26 5.513 12.079 3.392 1.00 0.00 O ATOM 995 CG2 THR B 26 4.026 12.408 5.272 1.00 0.00 C ATOM 0 H THR B 26 4.672 10.157 2.047 1.00 0.00 H new ATOM 0 HA THR B 26 5.056 9.818 4.807 1.00 0.00 H new ATOM 0 HB THR B 26 3.435 11.899 3.276 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.351 12.661 2.620 1.00 0.00 H new ATOM 0 HG21 THR B 26 4.032 13.482 5.089 1.00 0.00 H new ATOM 0 HG22 THR B 26 3.062 12.116 5.689 1.00 0.00 H new ATOM 0 HG23 THR B 26 4.818 12.156 5.978 1.00 0.00 H new ATOM 1003 N MET B 27 1.881 9.798 3.885 1.00 0.00 N ATOM 1004 CA MET B 27 0.506 9.436 4.290 1.00 0.00 C ATOM 1005 C MET B 27 0.408 7.983 4.772 1.00 0.00 C ATOM 1006 O MET B 27 -0.067 7.680 5.864 1.00 0.00 O ATOM 1007 CB MET B 27 -0.460 9.651 3.103 1.00 0.00 C ATOM 1008 CG MET B 27 -0.501 11.113 2.612 1.00 0.00 C ATOM 1009 SD MET B 27 -0.968 12.286 3.913 1.00 0.00 S ATOM 1010 CE MET B 27 -2.625 11.680 4.335 1.00 0.00 C ATOM 0 H MET B 27 1.953 10.165 2.936 1.00 0.00 H new ATOM 0 HA MET B 27 0.230 10.081 5.124 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.161 9.005 2.277 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.463 9.345 3.399 1.00 0.00 H new ATOM 0 HG2 MET B 27 0.478 11.386 2.219 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.209 11.193 1.787 1.00 0.00 H new ATOM 0 HE1 MET B 27 -3.152 12.436 4.917 1.00 0.00 H new ATOM 0 HE2 MET B 27 -3.181 11.474 3.420 1.00 0.00 H new ATOM 0 HE3 MET B 27 -2.539 10.765 4.921 1.00 0.00 H new ATOM 1020 N ILE B 28 0.900 7.080 3.917 1.00 0.00 N ATOM 1021 CA ILE B 28 0.939 5.629 4.194 1.00 0.00 C ATOM 1022 C ILE B 28 1.453 5.320 5.607 1.00 0.00 C ATOM 1023 O ILE B 28 0.880 4.542 6.371 1.00 0.00 O ATOM 1024 CB ILE B 28 1.854 4.948 3.139 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.271 5.007 1.707 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.243 3.501 3.518 1.00 0.00 C ATOM 1027 CD1 ILE B 28 -0.034 4.204 1.537 1.00 0.00 C ATOM 0 H ILE B 28 1.286 7.331 3.007 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.078 5.241 4.133 1.00 0.00 H new ATOM 0 HB ILE B 28 2.770 5.538 3.141 1.00 0.00 H new ATOM 0 HG12 ILE B 28 1.084 6.048 1.443 1.00 0.00 H new ATOM 0 HG13 ILE B 28 2.014 4.629 1.005 1.00 0.00 H new ATOM 0 HG21 ILE B 28 2.882 3.081 2.741 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.780 3.505 4.467 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.342 2.895 3.613 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -0.384 4.292 0.508 1.00 0.00 H new ATOM 0 HD12 ILE B 28 0.151 3.155 1.769 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -0.793 4.597 2.213 1.00 0.00 H new ATOM 1039 N LYS B 29 2.575 5.964 5.937 1.00 0.00 N ATOM 1040 CA LYS B 29 3.234 5.770 7.241 1.00 0.00 C ATOM 1041 C LYS B 29 2.257 6.041 8.396 1.00 0.00 C ATOM 1042 O LYS B 29 2.016 5.199 9.259 1.00 0.00 O ATOM 1043 CB LYS B 29 4.456 6.718 7.328 1.00 0.00 C ATOM 1044 CG LYS B 29 5.492 6.351 8.419 1.00 0.00 C ATOM 1045 CD LYS B 29 4.974 6.435 9.868 1.00 0.00 C ATOM 1046 CE LYS B 29 6.081 6.171 10.908 1.00 0.00 C ATOM 1047 NZ LYS B 29 5.518 6.249 12.262 1.00 0.00 N ATOM 0 H LYS B 29 3.050 6.625 5.323 1.00 0.00 H new ATOM 0 HA LYS B 29 3.565 4.735 7.328 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.958 6.729 6.361 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.099 7.731 7.513 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.847 5.337 8.235 1.00 0.00 H new ATOM 0 HG3 LYS B 29 6.352 7.013 8.318 1.00 0.00 H new ATOM 0 HD2 LYS B 29 4.546 7.423 10.041 1.00 0.00 H new ATOM 0 HD3 LYS B 29 4.171 5.711 10.006 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.521 5.188 10.743 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.882 6.902 10.794 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 6.268 6.070 12.960 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 5.118 7.196 12.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 4.769 5.535 12.368 1.00 0.00 H new ATOM 1061 N LYS B 30 1.644 7.229 8.351 1.00 0.00 N ATOM 1062 CA LYS B 30 0.792 7.739 9.448 1.00 0.00 C ATOM 1063 C LYS B 30 -0.246 6.738 9.980 1.00 0.00 C ATOM 1064 O LYS B 30 -0.432 6.566 11.185 1.00 0.00 O ATOM 1065 CB LYS B 30 0.070 9.030 9.011 1.00 0.00 C ATOM 1066 CG LYS B 30 1.052 10.164 8.642 1.00 0.00 C ATOM 1067 CD LYS B 30 0.372 11.528 8.380 1.00 0.00 C ATOM 1068 CE LYS B 30 0.051 12.327 9.664 1.00 0.00 C ATOM 1069 NZ LYS B 30 -0.876 11.591 10.533 1.00 0.00 N ATOM 0 H LYS B 30 1.720 7.867 7.559 1.00 0.00 H new ATOM 0 HA LYS B 30 1.480 7.932 10.271 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.567 8.813 8.154 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.583 9.367 9.816 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.776 10.280 9.449 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.610 9.872 7.753 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.020 12.129 7.743 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.553 11.361 7.827 1.00 0.00 H new ATOM 0 HE2 LYS B 30 0.974 12.534 10.206 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -0.385 13.290 9.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -1.420 12.264 11.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.528 11.030 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.337 10.957 11.157 1.00 0.00 H new ATOM 1083 N LYS B 31 -0.939 6.074 9.048 1.00 0.00 N ATOM 1084 CA LYS B 31 -1.993 5.101 9.409 1.00 0.00 C ATOM 1085 C LYS B 31 -1.467 3.998 10.340 1.00 0.00 C ATOM 1086 O LYS B 31 -2.003 3.706 11.409 1.00 0.00 O ATOM 1087 CB LYS B 31 -2.600 4.441 8.145 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.451 5.381 7.260 1.00 0.00 C ATOM 1089 CD LYS B 31 -2.629 6.461 6.527 1.00 0.00 C ATOM 1090 CE LYS B 31 -3.480 7.332 5.580 1.00 0.00 C ATOM 1091 NZ LYS B 31 -4.470 8.095 6.354 1.00 0.00 N ATOM 0 H LYS B 31 -0.796 6.186 8.044 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.763 5.665 9.936 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.789 4.034 7.541 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.220 3.599 8.455 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -3.987 4.783 6.523 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -4.202 5.869 7.882 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -2.145 7.102 7.263 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -1.837 5.979 5.954 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -2.837 8.014 5.023 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -3.985 6.702 4.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -4.947 8.778 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.174 7.443 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -3.991 8.605 7.124 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.375 3.375 9.893 1.00 0.00 N ATOM 1106 CA CYS B 32 0.299 2.312 10.661 1.00 0.00 C ATOM 1107 C CYS B 32 0.819 2.815 12.018 1.00 0.00 C ATOM 1108 O CYS B 32 0.576 2.247 13.083 1.00 0.00 O ATOM 1109 CB CYS B 32 1.444 1.746 9.797 1.00 0.00 C ATOM 1110 SG CYS B 32 0.769 0.941 8.319 1.00 0.00 S ATOM 0 H CYS B 32 0.068 3.586 8.999 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.421 1.526 10.890 1.00 0.00 H new ATOM 0 HB2 CYS B 32 2.122 2.549 9.506 1.00 0.00 H new ATOM 0 HB3 CYS B 32 2.028 1.030 10.376 1.00 0.00 H new