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 29 LYS NZ :NH3+ 143:sc= -1.34 (180deg=-3.76!) USER MOD Set 1.2: B 30 LYS NZ :NH3+ -179:sc= -1.38 (180deg=-1.41) USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= 0.226 (180deg=-0.0151) USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0592) USER MOD Single : A 10 THR OG1 : rot 68:sc= 0.24 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.0295 (180deg=-0.376) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -8:sc= 0.449 USER MOD Single : A 28 THR OG1 : rot 82:sc= 0.273 USER MOD Single : A 29 TYR OH : rot -59:sc= 0.285 USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.253) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -3.43! (180deg=-4.08!) USER MOD Single : B 6 LYS NZ :NH3+ -106:sc= -0.995 (180deg=-3.4!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot -170:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 162:sc= -0.688 (180deg=-1.37) USER MOD Single : B 15 SER OG : rot 79:sc= 0.218 USER MOD Single : B 16 MET CE :methyl 170:sc= -0.243 (180deg=-0.463) USER MOD Single : B 18 LYS NZ :NH3+ 171:sc=-0.00514 (180deg=-0.139) USER MOD Single : B 19 LYS NZ :NH3+ 171:sc=-0.00857 (180deg=-0.148) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -172:sc= -1.39 (180deg=-1.4) USER MOD Single : B 31 LYS NZ :NH3+ 169:sc= -0.0126 (180deg=-0.185) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 0.363 -12.946 2.179 1.00 0.00 N ATOM 27 CA ILE A 3 -0.942 -12.309 2.435 1.00 0.00 C ATOM 28 C ILE A 3 -2.022 -13.043 1.621 1.00 0.00 C ATOM 29 O ILE A 3 -1.852 -13.299 0.429 1.00 0.00 O ATOM 30 CB ILE A 3 -0.883 -10.813 2.014 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.204 -10.046 2.813 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.266 -10.131 2.137 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.312 -8.543 2.484 1.00 0.00 C ATOM 0 HA ILE A 3 -1.183 -12.367 3.496 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.601 -10.780 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.003 -10.156 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.170 -10.514 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.185 -9.087 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.982 -10.641 1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.607 -10.184 3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.097 -8.093 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.553 -8.418 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.638 -8.054 2.700 1.00 0.00 H new ATOM 45 N PRO A 4 -3.159 -13.402 2.235 1.00 0.00 N ATOM 46 CA PRO A 4 -4.226 -14.165 1.566 1.00 0.00 C ATOM 47 C PRO A 4 -5.116 -13.302 0.664 1.00 0.00 C ATOM 48 O PRO A 4 -5.141 -12.070 0.698 1.00 0.00 O ATOM 49 CB PRO A 4 -5.035 -14.716 2.750 1.00 0.00 C ATOM 50 CG PRO A 4 -4.953 -13.580 3.757 1.00 0.00 C ATOM 51 CD PRO A 4 -3.493 -13.118 3.642 1.00 0.00 C ATOM 0 HA PRO A 4 -3.824 -14.925 0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.065 -14.938 2.470 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.606 -15.638 3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.650 -12.777 3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.191 -13.917 4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.387 -12.059 3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.843 -13.662 4.328 1.00 0.00 H new ATOM 59 N LYS A 5 -5.902 -14.021 -0.141 1.00 0.00 N ATOM 60 CA LYS A 5 -6.828 -13.413 -1.113 1.00 0.00 C ATOM 61 C LYS A 5 -7.805 -12.426 -0.458 1.00 0.00 C ATOM 62 O LYS A 5 -8.029 -11.305 -0.915 1.00 0.00 O ATOM 63 CB LYS A 5 -7.606 -14.553 -1.809 1.00 0.00 C ATOM 64 CG LYS A 5 -8.621 -14.047 -2.851 1.00 0.00 C ATOM 65 CD LYS A 5 -9.335 -15.192 -3.596 1.00 0.00 C ATOM 66 CE LYS A 5 -10.344 -14.683 -4.645 1.00 0.00 C ATOM 67 NZ LYS A 5 -11.396 -13.889 -3.990 1.00 0.00 N ATOM 0 H LYS A 5 -5.918 -15.041 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.248 -12.837 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.898 -15.223 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.131 -15.139 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.365 -13.424 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.107 -13.414 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.591 -15.819 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.855 -15.821 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.830 -14.076 -5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.789 -15.527 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.181 -13.737 -4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.745 -14.398 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.006 -12.970 -3.698 1.00 0.00 H new ATOM 81 N LYS A 6 -8.392 -12.881 0.653 1.00 0.00 N ATOM 82 CA LYS A 6 -9.373 -12.081 1.415 1.00 0.00 C ATOM 83 C LYS A 6 -8.800 -10.702 1.772 1.00 0.00 C ATOM 84 O LYS A 6 -9.363 -9.653 1.463 1.00 0.00 O ATOM 85 CB LYS A 6 -9.749 -12.868 2.696 1.00 0.00 C ATOM 86 CG LYS A 6 -11.021 -12.372 3.430 1.00 0.00 C ATOM 87 CD LYS A 6 -10.950 -10.951 4.034 1.00 0.00 C ATOM 88 CE LYS A 6 -9.800 -10.754 5.045 1.00 0.00 C ATOM 89 NZ LYS A 6 -9.967 -11.674 6.180 1.00 0.00 N ATOM 0 H LYS A 6 -8.208 -13.802 1.051 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.262 -11.912 0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.888 -13.916 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.909 -12.824 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.856 -12.405 2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.250 -13.074 4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.836 -10.229 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.896 -10.730 4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.842 -10.934 4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.789 -9.723 5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.239 -11.478 6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.909 -11.541 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.871 -12.655 5.849 1.00 0.00 H new ATOM 103 N ILE A 7 -7.626 -10.725 2.412 1.00 0.00 N ATOM 104 CA ILE A 7 -6.935 -9.491 2.837 1.00 0.00 C ATOM 105 C ILE A 7 -6.660 -8.533 1.667 1.00 0.00 C ATOM 106 O ILE A 7 -6.758 -7.314 1.786 1.00 0.00 O ATOM 107 CB ILE A 7 -5.626 -9.848 3.591 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.914 -10.595 4.920 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.718 -8.617 3.840 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.611 -9.730 5.993 1.00 0.00 C ATOM 0 H ILE A 7 -7.129 -11.584 2.650 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.602 -8.959 3.515 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.077 -10.521 2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.537 -11.464 4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.974 -10.969 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.819 -8.930 4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.440 -8.171 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.256 -7.883 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.776 -10.326 6.890 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.981 -8.875 6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.569 -9.377 5.610 1.00 0.00 H new ATOM 122 N TRP A 8 -6.284 -9.099 0.516 1.00 0.00 N ATOM 123 CA TRP A 8 -6.048 -8.286 -0.697 1.00 0.00 C ATOM 124 C TRP A 8 -7.279 -7.473 -1.127 1.00 0.00 C ATOM 125 O TRP A 8 -7.203 -6.315 -1.537 1.00 0.00 O ATOM 126 CB TRP A 8 -5.540 -9.170 -1.856 1.00 0.00 C ATOM 127 CG TRP A 8 -4.087 -9.568 -1.581 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.565 -10.869 -1.502 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.993 -8.711 -1.356 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.232 -10.844 -1.231 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.858 -9.534 -1.140 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.860 -7.320 -1.338 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.621 -8.937 -0.893 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.615 -6.739 -1.095 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.499 -7.546 -0.871 1.00 0.00 C ATOM 0 H TRP A 8 -6.136 -10.101 0.391 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.276 -7.561 -0.440 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.162 -10.060 -1.951 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.610 -8.630 -2.800 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.145 -11.770 -1.638 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.624 -11.655 -1.117 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.722 -6.694 -1.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.247 -9.555 -0.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.515 -5.664 -1.080 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.463 -7.093 -0.680 1.00 0.00 H new ATOM 146 N GLU A 9 -8.443 -8.120 -1.046 1.00 0.00 N ATOM 147 CA GLU A 9 -9.722 -7.433 -1.309 1.00 0.00 C ATOM 148 C GLU A 9 -10.052 -6.374 -0.243 1.00 0.00 C ATOM 149 O GLU A 9 -10.594 -5.304 -0.515 1.00 0.00 O ATOM 150 CB GLU A 9 -10.874 -8.455 -1.441 1.00 0.00 C ATOM 151 CG GLU A 9 -11.007 -9.085 -2.852 1.00 0.00 C ATOM 152 CD GLU A 9 -9.803 -9.964 -3.228 1.00 0.00 C ATOM 153 OE1 GLU A 9 -8.735 -9.433 -3.532 1.00 0.00 O ATOM 154 OE2 GLU A 9 -9.953 -11.186 -3.221 1.00 0.00 O ATOM 0 H GLU A 9 -8.534 -9.107 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.610 -6.905 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.723 -9.252 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.812 -7.963 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.916 -9.685 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.116 -8.291 -3.591 1.00 0.00 H new ATOM 161 N THR A 10 -9.714 -6.702 1.009 1.00 0.00 N ATOM 162 CA THR A 10 -9.944 -5.791 2.148 1.00 0.00 C ATOM 163 C THR A 10 -9.198 -4.459 1.973 1.00 0.00 C ATOM 164 O THR A 10 -9.735 -3.362 2.134 1.00 0.00 O ATOM 165 CB THR A 10 -9.496 -6.479 3.462 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.253 -7.678 3.652 1.00 0.00 O ATOM 167 CG2 THR A 10 -9.671 -5.584 4.708 1.00 0.00 C ATOM 0 H THR A 10 -9.280 -7.589 1.264 1.00 0.00 H new ATOM 0 HA THR A 10 -11.010 -5.568 2.191 1.00 0.00 H new ATOM 0 HB THR A 10 -8.432 -6.691 3.357 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.012 -8.330 2.961 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.339 -6.125 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.076 -4.678 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.722 -5.316 4.819 1.00 0.00 H new ATOM 175 N VAL A 11 -7.912 -4.580 1.632 1.00 0.00 N ATOM 176 CA VAL A 11 -7.032 -3.411 1.466 1.00 0.00 C ATOM 177 C VAL A 11 -7.417 -2.533 0.267 1.00 0.00 C ATOM 178 O VAL A 11 -7.370 -1.307 0.341 1.00 0.00 O ATOM 179 CB VAL A 11 -5.538 -3.816 1.407 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.089 -4.473 2.731 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.188 -4.714 0.203 1.00 0.00 C ATOM 0 H VAL A 11 -7.453 -5.475 1.464 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.178 -2.801 2.357 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.983 -2.889 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.036 -4.748 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.228 -3.769 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.686 -5.366 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.126 -4.957 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.772 -5.633 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.419 -4.187 -0.723 1.00 0.00 H new ATOM 191 N CYS A 12 -7.822 -3.192 -0.831 1.00 0.00 N ATOM 192 CA CYS A 12 -8.137 -2.553 -2.133 1.00 0.00 C ATOM 193 C CYS A 12 -8.440 -1.038 -2.110 1.00 0.00 C ATOM 194 O CYS A 12 -7.671 -0.253 -2.660 1.00 0.00 O ATOM 195 CB CYS A 12 -9.330 -3.281 -2.797 1.00 0.00 C ATOM 196 SG CYS A 12 -8.926 -4.784 -3.722 1.00 0.00 S ATOM 0 H CYS A 12 -7.944 -4.205 -0.846 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.212 -2.650 -2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.051 -3.538 -2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.825 -2.584 -3.473 1.00 0.00 H new ATOM 201 N PRO A 13 -9.533 -0.577 -1.479 1.00 0.00 N ATOM 202 CA PRO A 13 -9.943 0.842 -1.483 1.00 0.00 C ATOM 203 C PRO A 13 -8.955 1.774 -0.768 1.00 0.00 C ATOM 204 O PRO A 13 -8.593 2.854 -1.233 1.00 0.00 O ATOM 205 CB PRO A 13 -11.308 0.831 -0.771 1.00 0.00 C ATOM 206 CG PRO A 13 -11.208 -0.365 0.165 1.00 0.00 C ATOM 207 CD PRO A 13 -10.467 -1.399 -0.688 1.00 0.00 C ATOM 0 HA PRO A 13 -9.981 1.235 -2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.483 1.757 -0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.129 0.720 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.659 -0.122 1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.191 -0.723 0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.940 -2.126 -0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.151 -1.959 -1.326 1.00 0.00 H new ATOM 215 N THR A 14 -8.529 1.332 0.416 1.00 0.00 N ATOM 216 CA THR A 14 -7.581 2.095 1.249 1.00 0.00 C ATOM 217 C THR A 14 -6.234 2.301 0.536 1.00 0.00 C ATOM 218 O THR A 14 -5.683 3.398 0.453 1.00 0.00 O ATOM 219 CB THR A 14 -7.369 1.337 2.579 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.632 1.108 3.214 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.452 2.091 3.563 1.00 0.00 C ATOM 0 H THR A 14 -8.824 0.446 0.827 1.00 0.00 H new ATOM 0 HA THR A 14 -8.000 3.083 1.439 1.00 0.00 H new ATOM 0 HB THR A 14 -6.882 0.396 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.492 0.626 4.056 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.342 1.508 4.477 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.473 2.239 3.107 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.892 3.060 3.801 1.00 0.00 H new ATOM 229 N VAL A 15 -5.690 1.189 0.030 1.00 0.00 N ATOM 230 CA VAL A 15 -4.414 1.211 -0.714 1.00 0.00 C ATOM 231 C VAL A 15 -4.569 1.620 -2.191 1.00 0.00 C ATOM 232 O VAL A 15 -3.622 1.601 -2.977 1.00 0.00 O ATOM 233 CB VAL A 15 -3.720 -0.177 -0.618 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.506 -0.609 0.849 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.443 -1.276 -1.430 1.00 0.00 C ATOM 0 H VAL A 15 -6.107 0.263 0.119 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.796 1.977 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.739 -0.053 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.019 -1.584 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.878 0.124 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.470 -0.672 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.909 -2.220 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.462 -1.391 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.469 -0.993 -2.482 1.00 0.00 H new ATOM 245 N GLU A 16 -5.795 2.002 -2.574 1.00 0.00 N ATOM 246 CA GLU A 16 -6.065 2.456 -3.951 1.00 0.00 C ATOM 247 C GLU A 16 -5.211 3.685 -4.312 1.00 0.00 C ATOM 248 O GLU A 16 -4.402 3.618 -5.236 1.00 0.00 O ATOM 249 CB GLU A 16 -7.582 2.736 -4.136 1.00 0.00 C ATOM 250 CG GLU A 16 -8.022 3.149 -5.563 1.00 0.00 C ATOM 251 CD GLU A 16 -7.501 4.547 -5.942 1.00 0.00 C ATOM 252 OE1 GLU A 16 -7.918 5.525 -5.322 1.00 0.00 O ATOM 253 OE2 GLU A 16 -6.682 4.643 -6.854 1.00 0.00 O ATOM 0 H GLU A 16 -6.609 2.007 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.782 1.660 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.135 1.841 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.874 3.526 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.654 2.417 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.110 3.138 -5.625 1.00 0.00 H new ATOM 260 N PRO A 17 -5.329 4.818 -3.600 1.00 0.00 N ATOM 261 CA PRO A 17 -4.563 6.041 -3.903 1.00 0.00 C ATOM 262 C PRO A 17 -3.048 5.840 -3.789 1.00 0.00 C ATOM 263 O PRO A 17 -2.257 6.320 -4.602 1.00 0.00 O ATOM 264 CB PRO A 17 -5.068 7.065 -2.874 1.00 0.00 C ATOM 265 CG PRO A 17 -5.526 6.200 -1.709 1.00 0.00 C ATOM 266 CD PRO A 17 -6.188 5.014 -2.420 1.00 0.00 C ATOM 0 HA PRO A 17 -4.716 6.361 -4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.280 7.756 -2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.885 7.666 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.690 5.884 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.226 6.728 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.214 4.127 -1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.217 5.235 -2.702 1.00 0.00 H new ATOM 274 N TRP A 18 -2.643 5.111 -2.742 1.00 0.00 N ATOM 275 CA TRP A 18 -1.209 4.873 -2.492 1.00 0.00 C ATOM 276 C TRP A 18 -0.535 4.126 -3.652 1.00 0.00 C ATOM 277 O TRP A 18 0.377 4.620 -4.313 1.00 0.00 O ATOM 278 CB TRP A 18 -0.984 4.099 -1.170 1.00 0.00 C ATOM 279 CG TRP A 18 -1.556 4.862 0.031 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.534 6.251 0.243 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.127 4.320 1.198 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.052 6.572 1.456 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.420 5.408 2.062 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.389 3.014 1.610 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -2.984 5.154 3.314 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -2.952 2.774 2.865 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.249 3.842 3.716 1.00 0.00 C ATOM 0 H TRP A 18 -3.272 4.681 -2.063 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.747 5.856 -2.407 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.454 3.118 -1.237 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.083 3.932 -1.022 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.154 6.970 -0.467 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.148 7.511 1.843 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.156 2.186 0.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.217 5.976 3.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.158 1.761 3.179 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.684 3.653 4.686 1.00 0.00 H new ATOM 298 N ALA A 19 -1.029 2.912 -3.910 1.00 0.00 N ATOM 299 CA ALA A 19 -0.482 2.043 -4.971 1.00 0.00 C ATOM 300 C ALA A 19 -0.500 2.710 -6.354 1.00 0.00 C ATOM 301 O ALA A 19 0.473 2.710 -7.107 1.00 0.00 O ATOM 302 CB ALA A 19 -1.289 0.729 -5.019 1.00 0.00 C ATOM 0 H ALA A 19 -1.811 2.502 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 19 0.561 1.846 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.888 0.084 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.215 0.221 -4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.334 0.952 -5.232 1.00 0.00 H new ATOM 308 N LYS A 20 -1.661 3.290 -6.678 1.00 0.00 N ATOM 309 CA LYS A 20 -1.868 4.001 -7.955 1.00 0.00 C ATOM 310 C LYS A 20 -0.800 5.077 -8.197 1.00 0.00 C ATOM 311 O LYS A 20 -0.071 5.094 -9.189 1.00 0.00 O ATOM 312 CB LYS A 20 -3.270 4.657 -7.927 1.00 0.00 C ATOM 313 CG LYS A 20 -3.555 5.570 -9.141 1.00 0.00 C ATOM 314 CD LYS A 20 -4.940 6.244 -9.058 1.00 0.00 C ATOM 315 CE LYS A 20 -5.162 7.291 -10.170 1.00 0.00 C ATOM 316 NZ LYS A 20 -4.188 8.383 -10.024 1.00 0.00 N ATOM 0 H LYS A 20 -2.481 3.283 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.790 3.280 -8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.027 3.874 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.369 5.242 -7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.784 6.338 -9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.495 4.982 -10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.715 5.481 -9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.048 6.725 -8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.055 6.824 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.176 7.686 -10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.515 9.214 -10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.094 8.632 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.265 8.077 -10.393 1.00 0.00 H new ATOM 330 N LYS A 21 -0.736 6.006 -7.242 1.00 0.00 N ATOM 331 CA LYS A 21 0.212 7.131 -7.296 1.00 0.00 C ATOM 332 C LYS A 21 1.564 6.755 -6.666 1.00 0.00 C ATOM 333 O LYS A 21 2.108 7.392 -5.764 1.00 0.00 O ATOM 334 CB LYS A 21 -0.438 8.335 -6.575 1.00 0.00 C ATOM 335 CG LYS A 21 -1.717 8.817 -7.301 1.00 0.00 C ATOM 336 CD LYS A 21 -2.528 9.862 -6.509 1.00 0.00 C ATOM 337 CE LYS A 21 -3.204 9.267 -5.255 1.00 0.00 C ATOM 338 NZ LYS A 21 -3.969 10.312 -4.560 1.00 0.00 N ATOM 0 H LYS A 21 -1.332 6.005 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 21 0.423 7.393 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.685 8.055 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.278 9.155 -6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.437 9.243 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.353 7.956 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.868 10.676 -6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.291 10.292 -7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.865 8.448 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.450 8.850 -4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.423 9.907 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.328 11.079 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.699 10.690 -5.197 1.00 0.00 H new ATOM 352 N CYS A 22 2.128 5.671 -7.200 1.00 0.00 N ATOM 353 CA CYS A 22 3.421 5.142 -6.730 1.00 0.00 C ATOM 354 C CYS A 22 4.045 4.222 -7.789 1.00 0.00 C ATOM 355 O CYS A 22 3.465 3.883 -8.822 1.00 0.00 O ATOM 356 CB CYS A 22 3.186 4.354 -5.417 1.00 0.00 C ATOM 357 SG CYS A 22 4.725 3.818 -4.633 1.00 0.00 S ATOM 0 H CYS A 22 1.712 5.136 -7.962 1.00 0.00 H new ATOM 0 HA CYS A 22 4.108 5.969 -6.552 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.627 4.978 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.569 3.481 -5.629 1.00 0.00 H new ATOM 362 N SER A 23 5.282 3.812 -7.502 1.00 0.00 N ATOM 363 CA SER A 23 6.042 2.920 -8.396 1.00 0.00 C ATOM 364 C SER A 23 6.901 1.925 -7.597 1.00 0.00 C ATOM 365 O SER A 23 6.878 1.844 -6.367 1.00 0.00 O ATOM 366 CB SER A 23 6.932 3.781 -9.325 1.00 0.00 C ATOM 367 OG SER A 23 7.852 4.558 -8.551 1.00 0.00 O ATOM 0 H SER A 23 5.785 4.081 -6.656 1.00 0.00 H new ATOM 0 HA SER A 23 5.341 2.336 -8.993 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.479 3.138 -10.015 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.308 4.439 -9.930 1.00 0.00 H new ATOM 0 HG SER A 23 7.636 4.468 -7.599 1.00 0.00 H new ATOM 373 N GLY A 24 7.678 1.141 -8.348 1.00 0.00 N ATOM 374 CA GLY A 24 8.538 0.101 -7.756 1.00 0.00 C ATOM 375 C GLY A 24 7.850 -1.268 -7.707 1.00 0.00 C ATOM 376 O GLY A 24 6.713 -1.485 -8.131 1.00 0.00 O ATOM 0 H GLY A 24 7.733 1.202 -9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.458 0.022 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.821 0.399 -6.746 1.00 0.00 H new ATOM 380 N ASP A 25 8.603 -2.218 -7.145 1.00 0.00 N ATOM 381 CA ASP A 25 8.182 -3.630 -7.072 1.00 0.00 C ATOM 382 C ASP A 25 6.848 -3.821 -6.341 1.00 0.00 C ATOM 383 O ASP A 25 5.928 -4.494 -6.801 1.00 0.00 O ATOM 384 CB ASP A 25 9.278 -4.445 -6.343 1.00 0.00 C ATOM 385 CG ASP A 25 10.613 -4.329 -7.091 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.715 -4.843 -8.206 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.537 -3.718 -6.554 1.00 0.00 O ATOM 0 H ASP A 25 9.517 -2.037 -6.729 1.00 0.00 H new ATOM 0 HA ASP A 25 8.042 -3.979 -8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.393 -4.081 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.980 -5.491 -6.277 1.00 0.00 H new ATOM 392 N ILE A 26 6.763 -3.206 -5.157 1.00 0.00 N ATOM 393 CA ILE A 26 5.572 -3.339 -4.297 1.00 0.00 C ATOM 394 C ILE A 26 4.322 -2.728 -4.944 1.00 0.00 C ATOM 395 O ILE A 26 3.227 -3.286 -4.910 1.00 0.00 O ATOM 396 CB ILE A 26 5.814 -2.680 -2.921 1.00 0.00 C ATOM 397 CG1 ILE A 26 7.143 -3.122 -2.258 1.00 0.00 C ATOM 398 CG2 ILE A 26 4.619 -2.960 -1.983 1.00 0.00 C ATOM 399 CD1 ILE A 26 7.242 -4.639 -1.995 1.00 0.00 C ATOM 0 H ILE A 26 7.497 -2.614 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 26 5.398 -4.407 -4.164 1.00 0.00 H new ATOM 0 HB ILE A 26 5.901 -1.607 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.973 -2.820 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.259 -2.592 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.799 -2.492 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.709 -2.550 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.505 -4.036 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.201 -4.866 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.435 -4.946 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.160 -5.178 -2.939 1.00 0.00 H new ATOM 411 N ALA A 27 4.491 -1.532 -5.518 1.00 0.00 N ATOM 412 CA ALA A 27 3.388 -0.849 -6.224 1.00 0.00 C ATOM 413 C ALA A 27 2.741 -1.763 -7.276 1.00 0.00 C ATOM 414 O ALA A 27 1.524 -1.908 -7.386 1.00 0.00 O ATOM 415 CB ALA A 27 3.922 0.431 -6.900 1.00 0.00 C ATOM 0 H ALA A 27 5.371 -1.016 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 27 2.624 -0.590 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.107 0.934 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.335 1.097 -6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.701 0.167 -7.615 1.00 0.00 H new ATOM 421 N THR A 28 3.615 -2.401 -8.061 1.00 0.00 N ATOM 422 CA THR A 28 3.200 -3.383 -9.081 1.00 0.00 C ATOM 423 C THR A 28 2.487 -4.597 -8.461 1.00 0.00 C ATOM 424 O THR A 28 1.490 -5.115 -8.964 1.00 0.00 O ATOM 425 CB THR A 28 4.449 -3.852 -9.867 1.00 0.00 C ATOM 426 OG1 THR A 28 5.094 -2.717 -10.452 1.00 0.00 O ATOM 427 CG2 THR A 28 4.116 -4.863 -10.985 1.00 0.00 C ATOM 0 H THR A 28 4.624 -2.256 -8.012 1.00 0.00 H new ATOM 0 HA THR A 28 2.489 -2.897 -9.749 1.00 0.00 H new ATOM 0 HB THR A 28 5.101 -4.356 -9.153 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.660 -2.280 -9.781 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.033 -5.153 -11.498 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.649 -5.746 -10.549 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.430 -4.405 -11.698 1.00 0.00 H new ATOM 435 N TYR A 29 3.042 -5.065 -7.337 1.00 0.00 N ATOM 436 CA TYR A 29 2.515 -6.259 -6.648 1.00 0.00 C ATOM 437 C TYR A 29 1.070 -6.064 -6.169 1.00 0.00 C ATOM 438 O TYR A 29 0.147 -6.760 -6.587 1.00 0.00 O ATOM 439 CB TYR A 29 3.439 -6.618 -5.461 1.00 0.00 C ATOM 440 CG TYR A 29 2.932 -7.779 -4.629 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.678 -9.018 -5.226 1.00 0.00 C ATOM 442 CD2 TYR A 29 2.722 -7.612 -3.258 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.217 -10.086 -4.452 1.00 0.00 C ATOM 444 CE2 TYR A 29 2.265 -8.680 -2.485 1.00 0.00 C ATOM 445 CZ TYR A 29 2.012 -9.917 -3.081 1.00 0.00 C ATOM 446 OH TYR A 29 1.557 -10.972 -2.315 1.00 0.00 O ATOM 0 H TYR A 29 3.851 -4.641 -6.884 1.00 0.00 H new ATOM 0 HA TYR A 29 2.500 -7.081 -7.364 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.430 -6.861 -5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.550 -5.743 -4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.838 -9.149 -6.286 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.914 -6.655 -2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.019 -11.042 -4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.107 -8.550 -1.425 1.00 0.00 H new ATOM 0 HH TYR A 29 0.695 -11.281 -2.663 1.00 0.00 H new ATOM 456 N ILE A 30 0.886 -5.082 -5.282 1.00 0.00 N ATOM 457 CA ILE A 30 -0.440 -4.735 -4.729 1.00 0.00 C ATOM 458 C ILE A 30 -1.492 -4.538 -5.834 1.00 0.00 C ATOM 459 O ILE A 30 -2.629 -5.005 -5.761 1.00 0.00 O ATOM 460 CB ILE A 30 -0.320 -3.441 -3.878 1.00 0.00 C ATOM 461 CG1 ILE A 30 0.659 -3.634 -2.695 1.00 0.00 C ATOM 462 CG2 ILE A 30 -1.704 -2.951 -3.379 1.00 0.00 C ATOM 463 CD1 ILE A 30 0.919 -2.335 -1.903 1.00 0.00 C ATOM 0 H ILE A 30 1.645 -4.503 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.772 -5.566 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 30 0.087 -2.666 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.258 -4.390 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.607 -4.016 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.577 -2.044 -2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.345 -2.740 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.163 -3.724 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.613 -2.539 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.349 -1.584 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.021 -1.963 -1.495 1.00 0.00 H new ATOM 475 N LYS A 31 -1.077 -3.808 -6.874 1.00 0.00 N ATOM 476 CA LYS A 31 -1.915 -3.578 -8.068 1.00 0.00 C ATOM 477 C LYS A 31 -2.494 -4.893 -8.611 1.00 0.00 C ATOM 478 O LYS A 31 -3.686 -5.038 -8.878 1.00 0.00 O ATOM 479 CB LYS A 31 -1.047 -2.857 -9.132 1.00 0.00 C ATOM 480 CG LYS A 31 -1.718 -2.548 -10.497 1.00 0.00 C ATOM 481 CD LYS A 31 -1.993 -3.775 -11.400 1.00 0.00 C ATOM 482 CE LYS A 31 -0.742 -4.640 -11.666 1.00 0.00 C ATOM 483 NZ LYS A 31 -1.128 -5.824 -12.447 1.00 0.00 N ATOM 0 H LYS A 31 -0.161 -3.361 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.770 -2.955 -7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.699 -1.916 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.164 -3.468 -9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.663 -2.038 -10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.083 -1.852 -11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.760 -4.394 -10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.396 -3.431 -12.353 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.006 -4.061 -12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.289 -4.944 -10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.409 -6.566 -12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.047 -6.177 -12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.202 -5.568 -13.452 1.00 0.00 H new ATOM 497 N ARG A 32 -1.607 -5.879 -8.766 1.00 0.00 N ATOM 498 CA ARG A 32 -2.005 -7.209 -9.259 1.00 0.00 C ATOM 499 C ARG A 32 -2.954 -7.934 -8.288 1.00 0.00 C ATOM 500 O ARG A 32 -3.997 -8.465 -8.659 1.00 0.00 O ATOM 501 CB ARG A 32 -0.750 -8.070 -9.518 1.00 0.00 C ATOM 502 CG ARG A 32 -1.109 -9.446 -10.110 1.00 0.00 C ATOM 503 CD ARG A 32 0.125 -10.311 -10.425 1.00 0.00 C ATOM 504 NE ARG A 32 -0.331 -11.583 -11.013 1.00 0.00 N ATOM 505 CZ ARG A 32 0.527 -12.525 -11.405 1.00 0.00 C ATOM 506 NH1 ARG A 32 1.844 -12.362 -11.281 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.056 -13.650 -11.932 1.00 0.00 N ATOM 0 H ARG A 32 -0.612 -5.787 -8.560 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.550 -7.062 -10.191 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.083 -7.544 -10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.205 -8.208 -8.584 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.750 -9.980 -9.408 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.687 -9.302 -11.023 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.786 -9.790 -11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.698 -10.498 -9.517 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.332 -11.747 -11.123 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.216 -11.502 -10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.480 -13.098 -11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.950 -13.784 -12.032 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.701 -14.380 -12.236 1.00 0.00 H new ATOM 521 N GLU A 33 -2.577 -7.951 -7.007 1.00 0.00 N ATOM 522 CA GLU A 33 -3.331 -8.703 -5.986 1.00 0.00 C ATOM 523 C GLU A 33 -4.805 -8.275 -5.912 1.00 0.00 C ATOM 524 O GLU A 33 -5.740 -9.067 -6.056 1.00 0.00 O ATOM 525 CB GLU A 33 -2.675 -8.525 -4.599 1.00 0.00 C ATOM 526 CG GLU A 33 -1.197 -8.972 -4.502 1.00 0.00 C ATOM 527 CD GLU A 33 -1.036 -10.452 -4.873 1.00 0.00 C ATOM 528 OE1 GLU A 33 -0.995 -10.763 -6.065 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.962 -11.281 -3.967 1.00 0.00 O ATOM 0 H GLU A 33 -1.760 -7.457 -6.648 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.304 -9.752 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.738 -7.474 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.255 -9.086 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.586 -8.360 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.831 -8.807 -3.489 1.00 0.00 H new ATOM 536 N CYS A 34 -5.003 -6.976 -5.679 1.00 0.00 N ATOM 537 CA CYS A 34 -6.353 -6.387 -5.656 1.00 0.00 C ATOM 538 C CYS A 34 -7.030 -6.444 -7.035 1.00 0.00 C ATOM 539 O CYS A 34 -8.108 -7.006 -7.231 1.00 0.00 O ATOM 540 CB CYS A 34 -6.260 -4.912 -5.194 1.00 0.00 C ATOM 541 SG CYS A 34 -7.872 -4.099 -5.302 1.00 0.00 S ATOM 0 H CYS A 34 -4.251 -6.309 -5.503 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.959 -6.970 -4.962 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.895 -4.871 -4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.537 -4.378 -5.811 1.00 0.00 H new ATOM 546 N GLY A 35 -6.351 -5.836 -8.014 1.00 0.00 N ATOM 547 CA GLY A 35 -6.897 -5.661 -9.374 1.00 0.00 C ATOM 548 C GLY A 35 -7.120 -6.985 -10.114 1.00 0.00 C ATOM 549 O GLY A 35 -8.241 -7.403 -10.405 1.00 0.00 O ATOM 0 H GLY A 35 -5.414 -5.452 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.844 -5.124 -9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.215 -5.039 -9.954 1.00 0.00 H new ATOM 553 N LYS A 36 -6.002 -7.644 -10.435 1.00 0.00 N ATOM 554 CA LYS A 36 -6.034 -8.972 -11.081 1.00 0.00 C ATOM 555 C LYS A 36 -6.575 -10.004 -10.079 1.00 0.00 C ATOM 556 O LYS A 36 -5.882 -10.581 -9.241 1.00 0.00 O ATOM 557 CB LYS A 36 -4.617 -9.341 -11.593 1.00 0.00 C ATOM 558 CG LYS A 36 -4.579 -10.525 -12.592 1.00 0.00 C ATOM 559 CD LYS A 36 -4.860 -11.939 -12.022 1.00 0.00 C ATOM 560 CE LYS A 36 -3.688 -12.572 -11.236 1.00 0.00 C ATOM 561 NZ LYS A 36 -3.359 -11.788 -10.036 1.00 0.00 N ATOM 0 H LYS A 36 -5.063 -7.286 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.698 -8.960 -11.945 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.179 -8.465 -12.071 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.988 -9.585 -10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.306 -10.327 -13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.596 -10.539 -13.063 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.729 -11.884 -11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.124 -12.601 -12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.950 -13.590 -10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.811 -12.639 -11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.745 -12.349 -9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.865 -10.916 -10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.234 -11.543 -9.531 1.00 0.00 H new ATOM 666 N VAL B 5 -5.326 -7.514 10.667 1.00 0.00 N ATOM 667 CA VAL B 5 -5.321 -7.081 9.253 1.00 0.00 C ATOM 668 C VAL B 5 -4.276 -5.993 8.970 1.00 0.00 C ATOM 669 O VAL B 5 -3.513 -6.042 8.006 1.00 0.00 O ATOM 670 CB VAL B 5 -6.734 -6.576 8.862 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.794 -6.050 7.408 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.804 -7.672 9.070 1.00 0.00 C ATOM 0 HA VAL B 5 -5.049 -7.945 8.647 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.951 -5.740 9.527 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.805 -5.709 7.186 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -6.097 -5.220 7.292 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.522 -6.850 6.720 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.782 -7.284 8.786 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.564 -8.537 8.452 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.822 -7.969 10.119 1.00 0.00 H new ATOM 682 N LYS B 6 -4.257 -4.989 9.851 1.00 0.00 N ATOM 683 CA LYS B 6 -3.332 -3.850 9.715 1.00 0.00 C ATOM 684 C LYS B 6 -1.872 -4.313 9.680 1.00 0.00 C ATOM 685 O LYS B 6 -1.122 -4.042 8.745 1.00 0.00 O ATOM 686 CB LYS B 6 -3.554 -2.864 10.883 1.00 0.00 C ATOM 687 CG LYS B 6 -2.708 -1.577 10.774 1.00 0.00 C ATOM 688 CD LYS B 6 -2.822 -0.629 11.991 1.00 0.00 C ATOM 689 CE LYS B 6 -4.250 -0.120 12.295 1.00 0.00 C ATOM 690 NZ LYS B 6 -5.061 -1.188 12.905 1.00 0.00 N ATOM 0 H LYS B 6 -4.868 -4.938 10.666 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.540 -3.350 8.769 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -4.609 -2.593 10.923 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -3.318 -3.366 11.821 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -1.662 -1.855 10.643 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -3.009 -1.035 9.878 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -2.442 -1.147 12.872 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -2.174 0.232 11.823 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -4.201 0.736 12.967 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -4.723 0.223 11.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -5.743 -1.547 12.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -4.440 -1.963 13.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -5.573 -0.809 13.727 1.00 0.00 H new ATOM 704 N LEU B 7 -1.487 -5.060 10.719 1.00 0.00 N ATOM 705 CA LEU B 7 -0.111 -5.587 10.849 1.00 0.00 C ATOM 706 C LEU B 7 0.384 -6.295 9.580 1.00 0.00 C ATOM 707 O LEU B 7 1.535 -6.176 9.160 1.00 0.00 O ATOM 708 CB LEU B 7 -0.056 -6.569 12.040 1.00 0.00 C ATOM 709 CG LEU B 7 -0.343 -5.899 13.405 1.00 0.00 C ATOM 710 CD1 LEU B 7 -0.473 -6.955 14.523 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.731 -4.851 13.771 1.00 0.00 C ATOM 0 H LEU B 7 -2.105 -5.318 11.488 1.00 0.00 H new ATOM 0 HA LEU B 7 0.548 -4.734 11.014 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.780 -7.367 11.876 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.929 -7.034 12.072 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.294 -5.375 13.310 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.675 -6.458 15.472 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.292 -7.634 14.288 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.456 -7.520 14.600 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.491 -4.405 14.736 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.706 -5.334 13.827 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.755 -4.073 13.008 1.00 0.00 H new ATOM 723 N THR B 8 -0.525 -7.057 8.966 1.00 0.00 N ATOM 724 CA THR B 8 -0.226 -7.799 7.726 1.00 0.00 C ATOM 725 C THR B 8 0.204 -6.865 6.581 1.00 0.00 C ATOM 726 O THR B 8 1.247 -7.020 5.945 1.00 0.00 O ATOM 727 CB THR B 8 -1.482 -8.605 7.306 1.00 0.00 C ATOM 728 OG1 THR B 8 -1.865 -9.477 8.374 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.266 -9.447 6.032 1.00 0.00 C ATOM 0 H THR B 8 -1.479 -7.180 9.305 1.00 0.00 H new ATOM 0 HA THR B 8 0.609 -8.471 7.925 1.00 0.00 H new ATOM 0 HB THR B 8 -2.264 -7.877 7.087 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.660 -9.986 8.111 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.182 -9.986 5.793 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.004 -8.791 5.202 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.459 -10.160 6.200 1.00 0.00 H new ATOM 737 N ILE B 9 -0.645 -5.864 6.323 1.00 0.00 N ATOM 738 CA ILE B 9 -0.441 -4.928 5.198 1.00 0.00 C ATOM 739 C ILE B 9 0.668 -3.882 5.440 1.00 0.00 C ATOM 740 O ILE B 9 1.301 -3.380 4.511 1.00 0.00 O ATOM 741 CB ILE B 9 -1.789 -4.254 4.822 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.688 -3.338 3.579 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.419 -3.478 5.998 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.218 -4.068 2.302 1.00 0.00 C ATOM 0 H ILE B 9 -1.482 -5.676 6.875 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.084 -5.523 4.357 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.449 -5.084 4.570 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.663 -2.888 3.391 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.997 -2.523 3.795 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.358 -3.029 5.676 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.609 -4.162 6.825 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.735 -2.694 6.325 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -1.172 -3.360 1.474 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.229 -4.495 2.470 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.921 -4.865 2.059 1.00 0.00 H new ATOM 756 N CYS B 10 0.908 -3.552 6.718 1.00 0.00 N ATOM 757 CA CYS B 10 1.857 -2.478 7.096 1.00 0.00 C ATOM 758 C CYS B 10 3.227 -2.576 6.401 1.00 0.00 C ATOM 759 O CYS B 10 3.611 -1.653 5.685 1.00 0.00 O ATOM 760 CB CYS B 10 2.082 -2.436 8.624 1.00 0.00 C ATOM 761 SG CYS B 10 0.602 -2.004 9.562 1.00 0.00 S ATOM 0 H CYS B 10 0.461 -4.010 7.512 1.00 0.00 H new ATOM 0 HA CYS B 10 1.380 -1.559 6.755 1.00 0.00 H new ATOM 0 HB2 CYS B 10 2.441 -3.410 8.957 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.867 -1.714 8.847 1.00 0.00 H new ATOM 766 N PRO B 11 3.991 -3.672 6.557 1.00 0.00 N ATOM 767 CA PRO B 11 5.353 -3.794 6.003 1.00 0.00 C ATOM 768 C PRO B 11 5.405 -3.611 4.483 1.00 0.00 C ATOM 769 O PRO B 11 6.319 -3.018 3.912 1.00 0.00 O ATOM 770 CB PRO B 11 5.802 -5.208 6.412 1.00 0.00 C ATOM 771 CG PRO B 11 4.490 -5.966 6.570 1.00 0.00 C ATOM 772 CD PRO B 11 3.579 -4.920 7.221 1.00 0.00 C ATOM 0 HA PRO B 11 6.006 -3.010 6.387 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.439 -5.662 5.653 1.00 0.00 H new ATOM 0 HB3 PRO B 11 6.372 -5.195 7.341 1.00 0.00 H new ATOM 0 HG2 PRO B 11 4.099 -6.304 5.611 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.605 -6.850 7.197 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.525 -5.140 7.051 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.725 -4.872 8.300 1.00 0.00 H new ATOM 780 N THR B 12 4.377 -4.152 3.823 1.00 0.00 N ATOM 781 CA THR B 12 4.234 -4.024 2.361 1.00 0.00 C ATOM 782 C THR B 12 4.194 -2.543 1.949 1.00 0.00 C ATOM 783 O THR B 12 5.022 -2.041 1.191 1.00 0.00 O ATOM 784 CB THR B 12 2.938 -4.741 1.906 1.00 0.00 C ATOM 785 OG1 THR B 12 2.944 -6.090 2.386 1.00 0.00 O ATOM 786 CG2 THR B 12 2.786 -4.770 0.371 1.00 0.00 C ATOM 0 H THR B 12 3.631 -4.683 4.272 1.00 0.00 H new ATOM 0 HA THR B 12 5.094 -4.488 1.878 1.00 0.00 H new ATOM 0 HB THR B 12 2.101 -4.179 2.319 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.209 -6.588 1.971 1.00 0.00 H new ATOM 0 HG21 THR B 12 1.862 -5.284 0.107 1.00 0.00 H new ATOM 0 HG22 THR B 12 2.756 -3.750 -0.011 1.00 0.00 H new ATOM 0 HG23 THR B 12 3.633 -5.297 -0.069 1.00 0.00 H new ATOM 794 N LEU B 13 3.214 -1.828 2.507 1.00 0.00 N ATOM 795 CA LEU B 13 3.008 -0.398 2.200 1.00 0.00 C ATOM 796 C LEU B 13 4.231 0.477 2.508 1.00 0.00 C ATOM 797 O LEU B 13 4.537 1.443 1.811 1.00 0.00 O ATOM 798 CB LEU B 13 1.786 0.141 2.971 1.00 0.00 C ATOM 799 CG LEU B 13 0.450 -0.528 2.578 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.702 0.022 3.445 1.00 0.00 C ATOM 801 CD2 LEU B 13 0.134 -0.360 1.076 1.00 0.00 C ATOM 0 H LEU B 13 2.546 -2.211 3.176 1.00 0.00 H new ATOM 0 HA LEU B 13 2.838 -0.340 1.125 1.00 0.00 H new ATOM 0 HB2 LEU B 13 1.951 -0.001 4.039 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.707 1.215 2.801 1.00 0.00 H new ATOM 0 HG LEU B 13 0.553 -1.597 2.764 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.636 -0.459 3.156 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.497 -0.184 4.496 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.787 1.098 3.297 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.814 -0.846 0.847 1.00 0.00 H new ATOM 0 HD22 LEU B 13 0.065 0.701 0.835 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.928 -0.816 0.484 1.00 0.00 H new ATOM 813 N LYS B 14 4.925 0.141 3.600 1.00 0.00 N ATOM 814 CA LYS B 14 6.168 0.844 3.985 1.00 0.00 C ATOM 815 C LYS B 14 7.244 0.750 2.894 1.00 0.00 C ATOM 816 O LYS B 14 7.893 1.723 2.506 1.00 0.00 O ATOM 817 CB LYS B 14 6.713 0.254 5.304 1.00 0.00 C ATOM 818 CG LYS B 14 5.822 0.545 6.533 1.00 0.00 C ATOM 819 CD LYS B 14 5.819 2.031 6.951 1.00 0.00 C ATOM 820 CE LYS B 14 4.932 2.275 8.188 1.00 0.00 C ATOM 821 NZ LYS B 14 5.011 3.688 8.585 1.00 0.00 N ATOM 0 H LYS B 14 4.654 -0.610 4.235 1.00 0.00 H new ATOM 0 HA LYS B 14 5.923 1.898 4.119 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.820 -0.825 5.192 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.710 0.656 5.486 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.800 0.235 6.313 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.165 -0.060 7.372 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.839 2.350 7.166 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.462 2.641 6.121 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.899 2.007 7.965 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.256 1.638 9.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.207 3.921 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.901 3.856 9.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.981 4.289 7.737 1.00 0.00 H new ATOM 835 N SER B 15 7.437 -0.475 2.400 1.00 0.00 N ATOM 836 CA SER B 15 8.397 -0.741 1.310 1.00 0.00 C ATOM 837 C SER B 15 8.052 0.038 0.033 1.00 0.00 C ATOM 838 O SER B 15 8.897 0.626 -0.644 1.00 0.00 O ATOM 839 CB SER B 15 8.428 -2.254 1.011 1.00 0.00 C ATOM 840 OG SER B 15 8.888 -2.965 2.164 1.00 0.00 O ATOM 0 H SER B 15 6.944 -1.303 2.733 1.00 0.00 H new ATOM 0 HA SER B 15 9.379 -0.404 1.640 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.433 -2.600 0.732 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.084 -2.453 0.163 1.00 0.00 H new ATOM 0 HG SER B 15 8.156 -3.050 2.809 1.00 0.00 H new ATOM 846 N MET B 16 6.757 0.019 -0.300 1.00 0.00 N ATOM 847 CA MET B 16 6.229 0.762 -1.462 1.00 0.00 C ATOM 848 C MET B 16 6.510 2.270 -1.345 1.00 0.00 C ATOM 849 O MET B 16 6.966 2.943 -2.269 1.00 0.00 O ATOM 850 CB MET B 16 4.704 0.527 -1.550 1.00 0.00 C ATOM 851 CG MET B 16 4.081 1.101 -2.837 1.00 0.00 C ATOM 852 SD MET B 16 2.309 0.758 -2.983 1.00 0.00 S ATOM 853 CE MET B 16 1.663 1.723 -1.595 1.00 0.00 C ATOM 0 H MET B 16 6.049 -0.503 0.217 1.00 0.00 H new ATOM 0 HA MET B 16 6.727 0.399 -2.361 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.503 -0.543 -1.501 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.221 0.981 -0.685 1.00 0.00 H new ATOM 0 HG2 MET B 16 4.239 2.179 -2.861 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.598 0.684 -3.701 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.575 1.761 -1.653 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.960 1.254 -0.657 1.00 0.00 H new ATOM 0 HE3 MET B 16 2.064 2.736 -1.638 1.00 0.00 H new ATOM 863 N ALA B 17 6.231 2.781 -0.140 1.00 0.00 N ATOM 864 CA ALA B 17 6.342 4.214 0.194 1.00 0.00 C ATOM 865 C ALA B 17 7.696 4.826 -0.182 1.00 0.00 C ATOM 866 O ALA B 17 7.809 5.976 -0.611 1.00 0.00 O ATOM 867 CB ALA B 17 6.117 4.384 1.711 1.00 0.00 C ATOM 0 H ALA B 17 5.918 2.208 0.643 1.00 0.00 H new ATOM 0 HA ALA B 17 5.587 4.741 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.196 5.439 1.975 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.125 4.017 1.975 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.871 3.816 2.257 1.00 0.00 H new ATOM 873 N LYS B 18 8.742 4.015 0.006 1.00 0.00 N ATOM 874 CA LYS B 18 10.136 4.406 -0.296 1.00 0.00 C ATOM 875 C LYS B 18 10.285 5.129 -1.644 1.00 0.00 C ATOM 876 O LYS B 18 11.004 6.119 -1.794 1.00 0.00 O ATOM 877 CB LYS B 18 11.023 3.142 -0.313 1.00 0.00 C ATOM 878 CG LYS B 18 11.035 2.393 1.039 1.00 0.00 C ATOM 879 CD LYS B 18 11.884 1.103 1.013 1.00 0.00 C ATOM 880 CE LYS B 18 13.377 1.345 0.701 1.00 0.00 C ATOM 881 NZ LYS B 18 13.963 2.233 1.718 1.00 0.00 N ATOM 0 H LYS B 18 8.653 3.067 0.372 1.00 0.00 H new ATOM 0 HA LYS B 18 10.445 5.103 0.483 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.669 2.467 -1.092 1.00 0.00 H new ATOM 0 HB3 LYS B 18 12.043 3.424 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.420 3.058 1.812 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.011 2.141 1.316 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.801 0.605 1.979 1.00 0.00 H new ATOM 0 HD3 LYS B 18 11.472 0.423 0.267 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.912 0.396 0.682 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.483 1.790 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.995 2.271 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.567 3.189 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.742 1.868 2.666 1.00 0.00 H new ATOM 895 N LYS B 19 9.571 4.603 -2.644 1.00 0.00 N ATOM 896 CA LYS B 19 9.614 5.153 -4.011 1.00 0.00 C ATOM 897 C LYS B 19 8.207 5.359 -4.599 1.00 0.00 C ATOM 898 O LYS B 19 7.802 4.806 -5.624 1.00 0.00 O ATOM 899 CB LYS B 19 10.479 4.221 -4.896 1.00 0.00 C ATOM 900 CG LYS B 19 10.026 2.741 -4.875 1.00 0.00 C ATOM 901 CD LYS B 19 10.947 1.813 -5.698 1.00 0.00 C ATOM 902 CE LYS B 19 12.411 1.799 -5.203 1.00 0.00 C ATOM 903 NZ LYS B 19 12.459 1.373 -3.795 1.00 0.00 N ATOM 0 H LYS B 19 8.955 3.797 -2.537 1.00 0.00 H new ATOM 0 HA LYS B 19 10.068 6.144 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.453 4.584 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.515 4.279 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.996 2.391 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.010 2.673 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.551 0.798 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.928 2.128 -6.741 1.00 0.00 H new ATOM 0 HE2 LYS B 19 13.005 1.123 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.849 2.792 -5.307 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.448 1.218 -3.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 12.039 2.111 -3.195 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.924 0.488 -3.682 1.00 0.00 H new ATOM 917 N CYS B 20 7.437 6.196 -3.895 1.00 0.00 N ATOM 918 CA CYS B 20 6.116 6.636 -4.384 1.00 0.00 C ATOM 919 C CYS B 20 6.115 8.090 -4.873 1.00 0.00 C ATOM 920 O CYS B 20 7.020 8.893 -4.649 1.00 0.00 O ATOM 921 CB CYS B 20 5.050 6.485 -3.280 1.00 0.00 C ATOM 922 SG CYS B 20 4.711 4.763 -2.850 1.00 0.00 S ATOM 0 H CYS B 20 7.700 6.583 -2.989 1.00 0.00 H new ATOM 0 HA CYS B 20 5.879 5.994 -5.232 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.382 7.017 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.126 6.960 -3.609 1.00 0.00 H new ATOM 927 N GLU B 21 5.020 8.415 -5.565 1.00 0.00 N ATOM 928 CA GLU B 21 4.795 9.772 -6.100 1.00 0.00 C ATOM 929 C GLU B 21 4.175 10.698 -5.041 1.00 0.00 C ATOM 930 O GLU B 21 3.675 10.283 -3.997 1.00 0.00 O ATOM 931 CB GLU B 21 3.823 9.664 -7.297 1.00 0.00 C ATOM 932 CG GLU B 21 4.317 8.691 -8.395 1.00 0.00 C ATOM 933 CD GLU B 21 3.220 8.471 -9.450 1.00 0.00 C ATOM 934 OE1 GLU B 21 2.815 9.434 -10.099 1.00 0.00 O ATOM 935 OE2 GLU B 21 2.784 7.332 -9.611 1.00 0.00 O ATOM 0 H GLU B 21 4.268 7.757 -5.772 1.00 0.00 H new ATOM 0 HA GLU B 21 5.754 10.194 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.849 9.332 -6.937 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.682 10.653 -7.733 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.212 9.093 -8.870 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.595 7.737 -7.946 1.00 0.00 H new ATOM 942 N GLY B 22 4.221 11.998 -5.354 1.00 0.00 N ATOM 943 CA GLY B 22 3.584 13.056 -4.540 1.00 0.00 C ATOM 944 C GLY B 22 4.008 13.054 -3.065 1.00 0.00 C ATOM 945 O GLY B 22 5.026 13.611 -2.654 1.00 0.00 O ATOM 0 H GLY B 22 4.701 12.354 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY B 22 3.823 14.027 -4.974 1.00 0.00 H new ATOM 0 HA3 GLY B 22 2.502 12.940 -4.596 1.00 0.00 H new ATOM 949 N SER B 23 3.182 12.379 -2.258 1.00 0.00 N ATOM 950 CA SER B 23 3.434 12.224 -0.812 1.00 0.00 C ATOM 951 C SER B 23 2.587 11.077 -0.232 1.00 0.00 C ATOM 952 O SER B 23 1.944 11.146 0.817 1.00 0.00 O ATOM 953 CB SER B 23 3.131 13.556 -0.079 1.00 0.00 C ATOM 954 OG SER B 23 1.769 13.945 -0.298 1.00 0.00 O ATOM 0 H SER B 23 2.326 11.927 -2.580 1.00 0.00 H new ATOM 0 HA SER B 23 4.484 11.973 -0.663 1.00 0.00 H new ATOM 0 HB2 SER B 23 3.317 13.442 0.989 1.00 0.00 H new ATOM 0 HB3 SER B 23 3.802 14.337 -0.437 1.00 0.00 H new ATOM 0 HG SER B 23 1.590 14.786 0.171 1.00 0.00 H new ATOM 960 N ILE B 24 2.625 9.966 -0.971 1.00 0.00 N ATOM 961 CA ILE B 24 1.942 8.722 -0.569 1.00 0.00 C ATOM 962 C ILE B 24 2.536 8.147 0.723 1.00 0.00 C ATOM 963 O ILE B 24 1.842 7.725 1.645 1.00 0.00 O ATOM 964 CB ILE B 24 2.035 7.696 -1.728 1.00 0.00 C ATOM 965 CG1 ILE B 24 1.244 8.129 -2.985 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.703 6.248 -1.308 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.190 8.629 -2.719 1.00 0.00 C ATOM 0 H ILE B 24 3.124 9.897 -1.858 1.00 0.00 H new ATOM 0 HA ILE B 24 0.895 8.944 -0.365 1.00 0.00 H new ATOM 0 HB ILE B 24 3.089 7.691 -2.005 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.799 8.920 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE B 24 1.195 7.285 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.790 5.590 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE B 24 2.399 5.925 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.685 6.206 -0.921 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -0.659 8.908 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -0.770 7.836 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.156 9.497 -2.060 1.00 0.00 H new ATOM 979 N ALA B 25 3.872 8.131 0.755 1.00 0.00 N ATOM 980 CA ALA B 25 4.636 7.629 1.912 1.00 0.00 C ATOM 981 C ALA B 25 4.148 8.201 3.250 1.00 0.00 C ATOM 982 O ALA B 25 3.998 7.511 4.258 1.00 0.00 O ATOM 983 CB ALA B 25 6.122 7.998 1.718 1.00 0.00 C ATOM 0 H ALA B 25 4.456 8.462 -0.013 1.00 0.00 H new ATOM 0 HA ALA B 25 4.492 6.549 1.956 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.701 7.633 2.566 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.494 7.540 0.801 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.222 9.081 1.649 1.00 0.00 H new ATOM 989 N THR B 26 3.903 9.516 3.236 1.00 0.00 N ATOM 990 CA THR B 26 3.409 10.235 4.425 1.00 0.00 C ATOM 991 C THR B 26 2.079 9.651 4.930 1.00 0.00 C ATOM 992 O THR B 26 1.915 9.280 6.088 1.00 0.00 O ATOM 993 CB THR B 26 3.228 11.733 4.082 1.00 0.00 C ATOM 994 OG1 THR B 26 4.469 12.262 3.604 1.00 0.00 O ATOM 995 CG2 THR B 26 2.768 12.571 5.294 1.00 0.00 C ATOM 0 H THR B 26 4.038 10.108 2.416 1.00 0.00 H new ATOM 0 HA THR B 26 4.145 10.120 5.221 1.00 0.00 H new ATOM 0 HB THR B 26 2.451 11.796 3.320 1.00 0.00 H new ATOM 0 HG1 THR B 26 4.357 13.210 3.384 1.00 0.00 H new ATOM 0 HG21 THR B 26 2.658 13.613 4.995 1.00 0.00 H new ATOM 0 HG22 THR B 26 1.811 12.194 5.655 1.00 0.00 H new ATOM 0 HG23 THR B 26 3.510 12.498 6.089 1.00 0.00 H new ATOM 1003 N MET B 27 1.114 9.571 4.010 1.00 0.00 N ATOM 1004 CA MET B 27 -0.242 9.087 4.340 1.00 0.00 C ATOM 1005 C MET B 27 -0.252 7.652 4.885 1.00 0.00 C ATOM 1006 O MET B 27 -0.836 7.348 5.924 1.00 0.00 O ATOM 1007 CB MET B 27 -1.156 9.204 3.104 1.00 0.00 C ATOM 1008 CG MET B 27 -1.396 10.673 2.697 1.00 0.00 C ATOM 1009 SD MET B 27 -2.562 10.840 1.322 1.00 0.00 S ATOM 1010 CE MET B 27 -1.610 10.065 -0.005 1.00 0.00 C ATOM 0 H MET B 27 1.239 9.833 3.032 1.00 0.00 H new ATOM 0 HA MET B 27 -0.623 9.722 5.140 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.707 8.666 2.269 1.00 0.00 H new ATOM 0 HB3 MET B 27 -2.113 8.726 3.314 1.00 0.00 H new ATOM 0 HG2 MET B 27 -1.774 11.226 3.557 1.00 0.00 H new ATOM 0 HG3 MET B 27 -0.445 11.128 2.418 1.00 0.00 H new ATOM 0 HE1 MET B 27 -2.125 10.211 -0.955 1.00 0.00 H new ATOM 0 HE2 MET B 27 -0.620 10.518 -0.055 1.00 0.00 H new ATOM 0 HE3 MET B 27 -1.511 8.998 0.194 1.00 0.00 H new ATOM 1020 N ILE B 28 0.419 6.752 4.157 1.00 0.00 N ATOM 1021 CA ILE B 28 0.605 5.353 4.601 1.00 0.00 C ATOM 1022 C ILE B 28 1.090 5.286 6.059 1.00 0.00 C ATOM 1023 O ILE B 28 0.544 4.603 6.926 1.00 0.00 O ATOM 1024 CB ILE B 28 1.644 4.662 3.674 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.104 4.516 2.232 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.123 3.303 4.239 1.00 0.00 C ATOM 1027 CD1 ILE B 28 2.151 3.968 1.239 1.00 0.00 C ATOM 0 H ILE B 28 0.846 6.962 3.255 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.355 4.841 4.543 1.00 0.00 H new ATOM 0 HB ILE B 28 2.517 5.313 3.638 1.00 0.00 H new ATOM 0 HG12 ILE B 28 0.240 3.852 2.241 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.756 5.488 1.882 1.00 0.00 H new ATOM 0 HG21 ILE B 28 2.847 2.860 3.556 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.589 3.458 5.212 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.270 2.633 4.348 1.00 0.00 H new ATOM 0 HD11 ILE B 28 1.706 3.891 0.247 1.00 0.00 H new ATOM 0 HD12 ILE B 28 3.006 4.644 1.202 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.482 2.982 1.566 1.00 0.00 H new ATOM 1039 N LYS B 29 2.160 6.046 6.303 1.00 0.00 N ATOM 1040 CA LYS B 29 2.804 6.107 7.626 1.00 0.00 C ATOM 1041 C LYS B 29 1.845 6.576 8.727 1.00 0.00 C ATOM 1042 O LYS B 29 1.839 6.069 9.846 1.00 0.00 O ATOM 1043 CB LYS B 29 4.057 7.009 7.518 1.00 0.00 C ATOM 1044 CG LYS B 29 4.858 7.189 8.830 1.00 0.00 C ATOM 1045 CD LYS B 29 4.351 8.287 9.798 1.00 0.00 C ATOM 1046 CE LYS B 29 4.625 9.736 9.333 1.00 0.00 C ATOM 1047 NZ LYS B 29 3.772 10.106 8.193 1.00 0.00 N ATOM 0 H LYS B 29 2.605 6.634 5.598 1.00 0.00 H new ATOM 0 HA LYS B 29 3.104 5.102 7.923 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.721 6.591 6.761 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.747 7.992 7.163 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.861 6.238 9.363 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.893 7.412 8.571 1.00 0.00 H new ATOM 0 HD2 LYS B 29 3.277 8.162 9.937 1.00 0.00 H new ATOM 0 HD3 LYS B 29 4.818 8.138 10.771 1.00 0.00 H new ATOM 0 HE2 LYS B 29 4.448 10.424 10.160 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.673 9.837 9.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 3.486 11.102 8.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 4.301 9.976 7.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 2.925 9.502 8.183 1.00 0.00 H new ATOM 1061 N LYS B 30 1.012 7.567 8.393 1.00 0.00 N ATOM 1062 CA LYS B 30 0.017 8.102 9.344 1.00 0.00 C ATOM 1063 C LYS B 30 -0.885 7.010 9.937 1.00 0.00 C ATOM 1064 O LYS B 30 -1.105 6.926 11.146 1.00 0.00 O ATOM 1065 CB LYS B 30 -0.850 9.183 8.659 1.00 0.00 C ATOM 1066 CG LYS B 30 -0.080 10.481 8.320 1.00 0.00 C ATOM 1067 CD LYS B 30 -0.059 11.524 9.462 1.00 0.00 C ATOM 1068 CE LYS B 30 0.532 11.024 10.799 1.00 0.00 C ATOM 1069 NZ LYS B 30 1.913 10.562 10.602 1.00 0.00 N ATOM 0 H LYS B 30 1.002 8.017 7.478 1.00 0.00 H new ATOM 0 HA LYS B 30 0.576 8.543 10.170 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -1.270 8.771 7.741 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.689 9.429 9.310 1.00 0.00 H new ATOM 0 HG2 LYS B 30 0.947 10.223 8.060 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -0.528 10.936 7.436 1.00 0.00 H new ATOM 0 HD2 LYS B 30 0.514 12.390 9.131 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.079 11.866 9.639 1.00 0.00 H new ATOM 0 HE2 LYS B 30 0.511 11.826 11.537 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -0.078 10.212 11.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.294 10.212 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 1.926 9.795 9.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.498 11.352 10.262 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.416 6.155 9.054 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.280 5.044 9.498 1.00 0.00 C ATOM 1085 C LYS B 31 -1.516 4.042 10.376 1.00 0.00 C ATOM 1086 O LYS B 31 -1.732 3.924 11.584 1.00 0.00 O ATOM 1087 CB LYS B 31 -2.914 4.307 8.291 1.00 0.00 C ATOM 1088 CG LYS B 31 -4.033 5.095 7.571 1.00 0.00 C ATOM 1089 CD LYS B 31 -3.534 6.343 6.816 1.00 0.00 C ATOM 1090 CE LYS B 31 -4.661 7.096 6.080 1.00 0.00 C ATOM 1091 NZ LYS B 31 -5.645 7.597 7.049 1.00 0.00 N ATOM 0 H LYS B 31 -1.269 6.205 8.046 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.075 5.487 10.098 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.129 4.075 7.571 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.321 3.356 8.636 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -4.534 4.432 6.865 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -4.778 5.401 8.305 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -3.054 7.020 7.523 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -2.774 6.044 6.095 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -4.244 7.926 5.511 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -5.147 6.432 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.295 8.256 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -6.185 6.799 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -5.152 8.092 7.820 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.589 3.316 9.742 1.00 0.00 N ATOM 1106 CA CYS B 32 0.218 2.312 10.459 1.00 0.00 C ATOM 1107 C CYS B 32 1.604 2.867 10.816 1.00 0.00 C ATOM 1108 O CYS B 32 2.662 2.456 10.335 1.00 0.00 O ATOM 1109 CB CYS B 32 0.318 1.014 9.625 1.00 0.00 C ATOM 1110 SG CYS B 32 1.061 -0.326 10.590 1.00 0.00 S ATOM 0 H CYS B 32 -0.378 3.399 8.748 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.280 2.072 11.398 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -0.675 0.717 9.289 1.00 0.00 H new ATOM 0 HB3 CYS B 32 0.915 1.197 8.732 1.00 0.00 H new