USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 381 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: A 22 THR OG1 : rot 106:sc= 2.05 USER MOD Set 1.2: A 24 CYS SG : rot 166:sc= -1.13! USER MOD Set 1.3: A 26 HIS :FLIP no HE2:sc= -1.18! C(o=-9.5!,f=0.038!) USER MOD Set 1.4: A 44 CYS SG : rot 125:sc= 0.295 USER MOD Set 2.1: A 9 CYS SG : rot -163:sc= 0.442 USER MOD Set 2.2: A 12 CYS SG : rot -56:sc= -0.185 USER MOD Set 2.3: A 14 MET CE :methyl 152:sc= -1.2 (180deg=-2.25!) USER MOD Set 2.4: A 29 CYS SG : rot 120:sc= 0.936 USER MOD Set 2.5: A 32 CYS SG : rot -129:sc= -2.46! USER MOD Single : A 21 GLN : amide:sc= 0.171 K(o=0.17,f=-3.6!) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= -0.0612 (180deg=-0.475) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 86:sc= 0.617 USER MOD Single : A 42 HIS : no HD1:sc= -0.246 K(o=-0.25,f=-5.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 54 ASN : amide:sc= 0.00424 K(o=0.0042,f=-2.9!) USER MOD Single : A 55 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 13.516 -17.599 -15.159 1.00 0.00 N ATOM 105 CA GLU A 8 12.675 -18.462 -15.946 1.00 0.00 C ATOM 106 C GLU A 8 11.656 -17.604 -16.617 1.00 0.00 C ATOM 107 O GLU A 8 11.390 -16.492 -16.159 1.00 0.00 O ATOM 108 CB GLU A 8 11.956 -19.512 -15.084 1.00 0.00 C ATOM 109 CG GLU A 8 12.853 -20.569 -14.473 1.00 0.00 C ATOM 110 CD GLU A 8 12.087 -21.562 -13.622 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.870 -21.374 -13.414 1.00 0.00 O ATOM 112 OE2 GLU A 8 12.699 -22.551 -13.159 1.00 0.00 O ATOM 0 HA GLU A 8 13.294 -18.999 -16.665 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.427 -18.999 -14.281 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.203 -20.007 -15.696 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.373 -21.103 -15.268 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.615 -20.085 -13.863 1.00 0.00 H new ATOM 119 N CYS A 9 11.107 -18.086 -17.699 1.00 0.00 N ATOM 120 CA CYS A 9 10.053 -17.387 -18.377 1.00 0.00 C ATOM 121 C CYS A 9 8.751 -17.719 -17.664 1.00 0.00 C ATOM 122 O CYS A 9 8.260 -18.831 -17.781 1.00 0.00 O ATOM 123 CB CYS A 9 10.014 -17.852 -19.836 1.00 0.00 C ATOM 124 SG CYS A 9 8.742 -17.077 -20.898 1.00 0.00 S ATOM 0 H CYS A 9 11.377 -18.969 -18.132 1.00 0.00 H new ATOM 0 HA CYS A 9 10.210 -16.308 -18.365 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.991 -17.666 -20.281 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.859 -18.931 -19.848 1.00 0.00 H new ATOM 0 HG CYS A 9 8.577 -17.793 -21.970 1.00 0.00 H new ATOM 129 N PRO A 10 8.175 -16.769 -16.907 1.00 0.00 N ATOM 130 CA PRO A 10 7.003 -17.027 -16.050 1.00 0.00 C ATOM 131 C PRO A 10 5.784 -17.507 -16.829 1.00 0.00 C ATOM 132 O PRO A 10 4.874 -18.111 -16.261 1.00 0.00 O ATOM 133 CB PRO A 10 6.722 -15.666 -15.409 1.00 0.00 C ATOM 134 CG PRO A 10 8.015 -14.934 -15.499 1.00 0.00 C ATOM 135 CD PRO A 10 8.641 -15.379 -16.784 1.00 0.00 C ATOM 0 HA PRO A 10 7.204 -17.824 -15.334 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.929 -15.136 -15.936 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.399 -15.775 -14.374 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.856 -13.856 -15.493 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.657 -15.166 -14.649 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.316 -14.767 -17.626 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.729 -15.318 -16.747 1.00 0.00 H new ATOM 143 N ILE A 11 5.763 -17.230 -18.115 1.00 0.00 N ATOM 144 CA ILE A 11 4.698 -17.696 -18.977 1.00 0.00 C ATOM 145 C ILE A 11 4.691 -19.224 -19.124 1.00 0.00 C ATOM 146 O ILE A 11 3.639 -19.855 -19.036 1.00 0.00 O ATOM 147 CB ILE A 11 4.745 -17.009 -20.361 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.418 -15.521 -20.212 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.797 -17.684 -21.345 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.610 -14.711 -21.475 1.00 0.00 C ATOM 0 H ILE A 11 6.478 -16.679 -18.590 1.00 0.00 H new ATOM 0 HA ILE A 11 3.763 -17.415 -18.492 1.00 0.00 H new ATOM 0 HB ILE A 11 5.753 -17.108 -20.765 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.384 -15.420 -19.883 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.045 -15.100 -19.426 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.853 -17.178 -22.309 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.082 -18.729 -21.466 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.777 -17.628 -20.964 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.356 -13.669 -21.281 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.650 -14.778 -21.796 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.963 -15.102 -22.260 1.00 0.00 H new ATOM 162 N CYS A 12 5.860 -19.809 -19.319 1.00 0.00 N ATOM 163 CA CYS A 12 5.953 -21.245 -19.563 1.00 0.00 C ATOM 164 C CYS A 12 6.644 -21.983 -18.412 1.00 0.00 C ATOM 165 O CYS A 12 6.653 -23.218 -18.364 1.00 0.00 O ATOM 166 CB CYS A 12 6.665 -21.501 -20.885 1.00 0.00 C ATOM 167 SG CYS A 12 8.250 -20.624 -21.074 1.00 0.00 S ATOM 0 H CYS A 12 6.755 -19.319 -19.314 1.00 0.00 H new ATOM 0 HA CYS A 12 4.939 -21.641 -19.623 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.843 -22.572 -20.986 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.004 -21.210 -21.701 1.00 0.00 H new ATOM 0 HG CYS A 12 8.062 -19.348 -20.911 1.00 0.00 H new ATOM 172 N LEU A 13 7.208 -21.202 -17.488 1.00 0.00 N ATOM 173 CA LEU A 13 7.926 -21.700 -16.311 1.00 0.00 C ATOM 174 C LEU A 13 9.051 -22.640 -16.697 1.00 0.00 C ATOM 175 O LEU A 13 9.345 -23.616 -15.997 1.00 0.00 O ATOM 176 CB LEU A 13 6.956 -22.355 -15.334 1.00 0.00 C ATOM 177 CG LEU A 13 5.926 -21.413 -14.715 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.929 -22.183 -13.872 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.614 -20.352 -13.878 1.00 0.00 C ATOM 0 H LEU A 13 7.178 -20.184 -17.538 1.00 0.00 H new ATOM 0 HA LEU A 13 8.387 -20.848 -15.811 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.428 -23.156 -15.852 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.530 -22.818 -14.532 1.00 0.00 H new ATOM 0 HG LEU A 13 5.384 -20.923 -15.524 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.205 -21.491 -13.441 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.409 -22.910 -14.496 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.455 -22.703 -13.071 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.866 -19.689 -13.444 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.182 -20.830 -13.080 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.290 -19.773 -14.508 1.00 0.00 H new ATOM 191 N MET A 14 9.695 -22.315 -17.797 1.00 0.00 N ATOM 192 CA MET A 14 10.840 -23.048 -18.274 1.00 0.00 C ATOM 193 C MET A 14 12.012 -22.103 -18.368 1.00 0.00 C ATOM 194 O MET A 14 11.840 -20.880 -18.240 1.00 0.00 O ATOM 195 CB MET A 14 10.578 -23.658 -19.657 1.00 0.00 C ATOM 196 CG MET A 14 9.475 -24.697 -19.702 1.00 0.00 C ATOM 197 SD MET A 14 9.333 -25.494 -21.321 1.00 0.00 S ATOM 198 CE MET A 14 8.781 -24.129 -22.348 1.00 0.00 C ATOM 0 H MET A 14 9.433 -21.526 -18.389 1.00 0.00 H new ATOM 0 HA MET A 14 11.048 -23.860 -17.577 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.328 -22.855 -20.350 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.500 -24.114 -20.017 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.665 -25.456 -18.943 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.526 -24.225 -19.449 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.113 -24.288 -23.374 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.693 -24.072 -22.323 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.202 -23.197 -21.971 1.00 0.00 H new ATOM 208 N ALA A 15 13.198 -22.654 -18.564 1.00 0.00 N ATOM 209 CA ALA A 15 14.382 -21.845 -18.807 1.00 0.00 C ATOM 210 C ALA A 15 14.181 -21.018 -20.071 1.00 0.00 C ATOM 211 O ALA A 15 13.412 -21.402 -20.956 1.00 0.00 O ATOM 212 CB ALA A 15 15.616 -22.720 -18.932 1.00 0.00 C ATOM 0 H ALA A 15 13.367 -23.660 -18.560 1.00 0.00 H new ATOM 0 HA ALA A 15 14.533 -21.175 -17.961 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.489 -22.094 -19.113 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.758 -23.282 -18.009 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.488 -23.413 -19.763 1.00 0.00 H new ATOM 218 N LEU A 16 14.867 -19.916 -20.162 1.00 0.00 N ATOM 219 CA LEU A 16 14.643 -18.963 -21.228 1.00 0.00 C ATOM 220 C LEU A 16 15.127 -19.522 -22.556 1.00 0.00 C ATOM 221 O LEU A 16 16.287 -19.911 -22.681 1.00 0.00 O ATOM 222 CB LEU A 16 15.408 -17.687 -20.898 1.00 0.00 C ATOM 223 CG LEU A 16 15.035 -17.014 -19.581 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.928 -15.817 -19.312 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.579 -16.603 -19.593 1.00 0.00 C ATOM 0 H LEU A 16 15.598 -19.646 -19.504 1.00 0.00 H new ATOM 0 HA LEU A 16 13.576 -18.756 -21.315 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.473 -17.919 -20.878 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.253 -16.973 -21.707 1.00 0.00 H new ATOM 0 HG LEU A 16 15.185 -17.733 -18.775 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.642 -15.355 -18.367 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.967 -16.143 -19.256 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.818 -15.092 -20.119 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.328 -16.124 -18.646 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.405 -15.904 -20.411 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.953 -17.485 -19.731 1.00 0.00 H new ATOM 237 N ARG A 17 14.237 -19.574 -23.548 1.00 0.00 N ATOM 238 CA ARG A 17 14.605 -20.102 -24.855 1.00 0.00 C ATOM 239 C ARG A 17 15.568 -19.159 -25.570 1.00 0.00 C ATOM 240 O ARG A 17 16.558 -19.593 -26.149 1.00 0.00 O ATOM 241 CB ARG A 17 13.364 -20.343 -25.730 1.00 0.00 C ATOM 242 CG ARG A 17 13.669 -20.950 -27.097 1.00 0.00 C ATOM 243 CD ARG A 17 14.192 -22.374 -26.973 1.00 0.00 C ATOM 244 NE ARG A 17 13.162 -23.301 -26.508 1.00 0.00 N ATOM 245 CZ ARG A 17 13.398 -24.488 -25.934 1.00 0.00 C ATOM 246 NH1 ARG A 17 14.650 -24.901 -25.719 1.00 0.00 N ATOM 247 NH2 ARG A 17 12.378 -25.264 -25.585 1.00 0.00 N ATOM 0 H ARG A 17 13.269 -19.261 -23.470 1.00 0.00 H new ATOM 0 HA ARG A 17 15.102 -21.058 -24.692 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.680 -21.003 -25.197 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.845 -19.395 -25.874 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.766 -20.945 -27.708 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.406 -20.335 -27.613 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.568 -22.707 -27.940 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.034 -22.391 -26.281 1.00 0.00 H new ATOM 0 HE ARG A 17 12.188 -23.022 -26.630 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.436 -24.311 -25.993 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.820 -25.806 -25.281 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.421 -24.955 -25.754 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.552 -26.169 -25.148 1.00 0.00 H new ATOM 261 N GLU A 18 15.263 -17.867 -25.515 1.00 0.00 N ATOM 262 CA GLU A 18 16.067 -16.862 -26.212 1.00 0.00 C ATOM 263 C GLU A 18 16.515 -15.762 -25.255 1.00 0.00 C ATOM 264 O GLU A 18 17.446 -15.018 -25.548 1.00 0.00 O ATOM 265 CB GLU A 18 15.226 -16.243 -27.322 1.00 0.00 C ATOM 266 CG GLU A 18 14.816 -17.215 -28.413 1.00 0.00 C ATOM 267 CD GLU A 18 15.984 -17.715 -29.211 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.718 -16.892 -29.783 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.174 -18.941 -29.297 1.00 0.00 O ATOM 0 H GLU A 18 14.469 -17.489 -24.998 1.00 0.00 H new ATOM 0 HA GLU A 18 16.953 -17.346 -26.624 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.328 -15.809 -26.882 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.787 -15.425 -27.773 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.299 -18.063 -27.963 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.107 -16.727 -29.081 1.00 0.00 H new ATOM 276 N ALA A 19 15.846 -15.693 -24.113 1.00 0.00 N ATOM 277 CA ALA A 19 16.134 -14.722 -23.063 1.00 0.00 C ATOM 278 C ALA A 19 16.019 -13.261 -23.522 1.00 0.00 C ATOM 279 O ALA A 19 17.018 -12.620 -23.859 1.00 0.00 O ATOM 280 CB ALA A 19 17.481 -14.995 -22.408 1.00 0.00 C ATOM 0 H ALA A 19 15.075 -16.320 -23.885 1.00 0.00 H new ATOM 0 HA ALA A 19 15.354 -14.858 -22.314 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.664 -14.253 -21.630 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.475 -15.991 -21.965 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.269 -14.936 -23.159 1.00 0.00 H new ATOM 286 N VAL A 20 14.792 -12.755 -23.547 1.00 0.00 N ATOM 287 CA VAL A 20 14.548 -11.338 -23.805 1.00 0.00 C ATOM 288 C VAL A 20 14.158 -10.639 -22.516 1.00 0.00 C ATOM 289 O VAL A 20 13.164 -10.993 -21.871 1.00 0.00 O ATOM 290 CB VAL A 20 13.476 -11.061 -24.905 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.010 -11.402 -26.277 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.177 -11.809 -24.642 1.00 0.00 C ATOM 0 H VAL A 20 13.947 -13.305 -23.392 1.00 0.00 H new ATOM 0 HA VAL A 20 15.485 -10.938 -24.193 1.00 0.00 H new ATOM 0 HB VAL A 20 13.254 -9.995 -24.869 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.244 -11.200 -27.026 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.891 -10.795 -26.486 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.281 -12.457 -26.310 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.462 -11.585 -25.433 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.372 -12.881 -24.622 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.765 -11.497 -23.682 1.00 0.00 H new ATOM 302 N GLN A 21 14.973 -9.696 -22.109 1.00 0.00 N ATOM 303 CA GLN A 21 14.720 -8.958 -20.894 1.00 0.00 C ATOM 304 C GLN A 21 13.714 -7.843 -21.152 1.00 0.00 C ATOM 305 O GLN A 21 13.847 -7.083 -22.118 1.00 0.00 O ATOM 306 CB GLN A 21 16.022 -8.385 -20.338 1.00 0.00 C ATOM 307 CG GLN A 21 15.880 -7.736 -18.976 1.00 0.00 C ATOM 308 CD GLN A 21 17.172 -7.135 -18.494 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.004 -7.812 -17.903 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.351 -5.858 -18.740 1.00 0.00 N ATOM 0 H GLN A 21 15.821 -9.420 -22.604 1.00 0.00 H new ATOM 0 HA GLN A 21 14.300 -9.639 -20.154 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.760 -9.185 -20.272 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.412 -7.649 -21.041 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.116 -6.960 -19.023 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.536 -8.479 -18.256 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.634 -5.329 -19.235 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.208 -5.395 -18.436 1.00 0.00 H new ATOM 319 N THR A 22 12.720 -7.749 -20.305 1.00 0.00 N ATOM 320 CA THR A 22 11.739 -6.698 -20.402 1.00 0.00 C ATOM 321 C THR A 22 12.211 -5.504 -19.574 1.00 0.00 C ATOM 322 O THR A 22 12.952 -5.682 -18.601 1.00 0.00 O ATOM 323 CB THR A 22 10.360 -7.176 -19.876 1.00 0.00 C ATOM 324 OG1 THR A 22 10.435 -7.468 -18.472 1.00 0.00 O ATOM 325 CG2 THR A 22 9.909 -8.421 -20.618 1.00 0.00 C ATOM 0 H THR A 22 12.568 -8.396 -19.532 1.00 0.00 H new ATOM 0 HA THR A 22 11.628 -6.415 -21.449 1.00 0.00 H new ATOM 0 HB THR A 22 9.639 -6.375 -20.044 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.994 -6.755 -17.965 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.940 -8.742 -20.235 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.824 -8.200 -21.682 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.639 -9.217 -20.470 1.00 0.00 H new ATOM 333 N PRO A 23 11.803 -4.275 -19.934 1.00 0.00 N ATOM 334 CA PRO A 23 12.182 -3.067 -19.185 1.00 0.00 C ATOM 335 C PRO A 23 11.642 -3.076 -17.753 1.00 0.00 C ATOM 336 O PRO A 23 12.180 -2.396 -16.869 1.00 0.00 O ATOM 337 CB PRO A 23 11.537 -1.932 -19.992 1.00 0.00 C ATOM 338 CG PRO A 23 10.442 -2.592 -20.754 1.00 0.00 C ATOM 339 CD PRO A 23 10.961 -3.950 -21.101 1.00 0.00 C ATOM 0 HA PRO A 23 13.263 -2.975 -19.081 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.150 -1.150 -19.338 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.258 -1.461 -20.660 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.533 -2.660 -20.156 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.192 -2.026 -21.651 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.155 -4.671 -21.234 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.536 -3.941 -22.027 1.00 0.00 H new ATOM 347 N CYS A 24 10.591 -3.850 -17.528 1.00 0.00 N ATOM 348 CA CYS A 24 9.954 -3.900 -16.233 1.00 0.00 C ATOM 349 C CYS A 24 10.722 -4.799 -15.258 1.00 0.00 C ATOM 350 O CYS A 24 10.531 -4.723 -14.045 1.00 0.00 O ATOM 351 CB CYS A 24 8.497 -4.335 -16.361 1.00 0.00 C ATOM 352 SG CYS A 24 8.233 -6.037 -16.953 1.00 0.00 S ATOM 0 H CYS A 24 10.164 -4.452 -18.232 1.00 0.00 H new ATOM 0 HA CYS A 24 9.969 -2.892 -15.818 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.018 -4.230 -15.387 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.990 -3.650 -17.041 1.00 0.00 H new ATOM 0 HG CYS A 24 6.996 -6.381 -16.747 1.00 0.00 H new ATOM 357 N GLY A 25 11.591 -5.645 -15.798 1.00 0.00 N ATOM 358 CA GLY A 25 12.426 -6.475 -14.954 1.00 0.00 C ATOM 359 C GLY A 25 12.044 -7.941 -14.964 1.00 0.00 C ATOM 360 O GLY A 25 12.036 -8.590 -13.920 1.00 0.00 O ATOM 0 H GLY A 25 11.731 -5.770 -16.801 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.463 -6.378 -15.277 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.375 -6.103 -13.931 1.00 0.00 H new ATOM 364 N HIS A 26 11.709 -8.459 -16.122 1.00 0.00 N ATOM 365 CA HIS A 26 11.437 -9.885 -16.277 1.00 0.00 C ATOM 366 C HIS A 26 12.172 -10.377 -17.496 1.00 0.00 C ATOM 367 O HIS A 26 12.578 -9.580 -18.332 1.00 0.00 O ATOM 368 CB HIS A 26 9.946 -10.171 -16.464 1.00 0.00 C ATOM 369 CG HIS A 26 9.067 -9.723 -15.352 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.302 -8.627 -15.245 1.00 0.00 N flip ATOM 371 CD2 HIS A 26 8.898 -10.422 -14.177 1.00 0.00 C flip ATOM 372 CE1 HIS A 26 7.685 -8.664 -14.035 1.00 0.00 C flip ATOM 373 NE2 HIS A 26 8.058 -9.758 -13.398 1.00 0.00 N flip ATOM 0 H HIS A 26 11.615 -7.917 -16.981 1.00 0.00 H new ATOM 0 HA HIS A 26 11.767 -10.393 -15.371 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.614 -9.690 -17.384 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.813 -11.244 -16.600 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.201 -7.895 -15.948 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.374 -11.360 -13.931 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.001 -7.919 -13.656 1.00 0.00 H new ATOM 380 N ARG A 27 12.367 -11.670 -17.600 1.00 0.00 N ATOM 381 CA ARG A 27 12.997 -12.228 -18.774 1.00 0.00 C ATOM 382 C ARG A 27 12.125 -13.350 -19.317 1.00 0.00 C ATOM 383 O ARG A 27 11.576 -14.135 -18.546 1.00 0.00 O ATOM 384 CB ARG A 27 14.420 -12.705 -18.444 1.00 0.00 C ATOM 385 CG ARG A 27 15.334 -11.565 -17.999 1.00 0.00 C ATOM 386 CD ARG A 27 16.745 -12.016 -17.661 1.00 0.00 C ATOM 387 NE ARG A 27 17.536 -10.886 -17.167 1.00 0.00 N ATOM 388 CZ ARG A 27 18.817 -10.925 -16.781 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.510 -12.044 -16.857 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.393 -9.823 -16.325 1.00 0.00 N ATOM 0 H ARG A 27 12.100 -12.353 -16.891 1.00 0.00 H new ATOM 0 HA ARG A 27 13.093 -11.465 -19.547 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.373 -13.457 -17.656 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.850 -13.189 -19.321 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.380 -10.817 -18.790 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.897 -11.079 -17.126 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.712 -12.802 -16.907 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.219 -12.442 -18.545 1.00 0.00 H new ATOM 0 HE ARG A 27 17.065 -9.983 -17.112 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.071 -12.893 -17.213 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.486 -12.061 -16.560 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.861 -8.955 -16.270 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.369 -9.843 -16.028 1.00 0.00 H new ATOM 404 N PHE A 28 11.973 -13.400 -20.632 1.00 0.00 N ATOM 405 CA PHE A 28 11.057 -14.343 -21.276 1.00 0.00 C ATOM 406 C PHE A 28 11.684 -14.965 -22.520 1.00 0.00 C ATOM 407 O PHE A 28 12.761 -14.555 -22.964 1.00 0.00 O ATOM 408 CB PHE A 28 9.757 -13.640 -21.693 1.00 0.00 C ATOM 409 CG PHE A 28 8.911 -13.098 -20.571 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.945 -13.888 -19.970 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.055 -11.792 -20.150 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.153 -13.383 -18.953 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.268 -11.284 -19.133 1.00 0.00 C ATOM 414 CZ PHE A 28 7.312 -12.077 -18.542 1.00 0.00 C ATOM 0 H PHE A 28 12.475 -12.795 -21.282 1.00 0.00 H new ATOM 0 HA PHE A 28 10.843 -15.125 -20.547 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.010 -12.817 -22.361 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.155 -14.343 -22.268 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.808 -14.908 -20.298 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.792 -11.158 -20.621 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.412 -14.012 -18.482 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.404 -10.265 -18.803 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.687 -11.677 -17.757 1.00 0.00 H new ATOM 424 N CYS A 29 11.019 -15.973 -23.063 1.00 0.00 N ATOM 425 CA CYS A 29 11.392 -16.531 -24.351 1.00 0.00 C ATOM 426 C CYS A 29 10.909 -15.587 -25.467 1.00 0.00 C ATOM 427 O CYS A 29 9.995 -14.780 -25.252 1.00 0.00 O ATOM 428 CB CYS A 29 10.760 -17.909 -24.525 1.00 0.00 C ATOM 429 SG CYS A 29 10.975 -19.020 -23.095 1.00 0.00 S ATOM 0 H CYS A 29 10.214 -16.423 -22.628 1.00 0.00 H new ATOM 0 HA CYS A 29 12.476 -16.635 -24.404 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.694 -17.785 -24.717 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.190 -18.384 -25.407 1.00 0.00 H new ATOM 0 HG CYS A 29 9.810 -19.350 -22.623 1.00 0.00 H new ATOM 434 N LYS A 30 11.493 -15.711 -26.650 1.00 0.00 N ATOM 435 CA LYS A 30 11.264 -14.757 -27.741 1.00 0.00 C ATOM 436 C LYS A 30 9.855 -14.901 -28.318 1.00 0.00 C ATOM 437 O LYS A 30 9.370 -14.016 -29.013 1.00 0.00 O ATOM 438 CB LYS A 30 12.290 -15.011 -28.851 1.00 0.00 C ATOM 439 CG LYS A 30 12.318 -14.000 -29.993 1.00 0.00 C ATOM 440 CD LYS A 30 12.852 -12.652 -29.535 1.00 0.00 C ATOM 441 CE LYS A 30 13.169 -11.753 -30.718 1.00 0.00 C ATOM 442 NZ LYS A 30 14.260 -12.310 -31.567 1.00 0.00 N ATOM 0 H LYS A 30 12.135 -16.467 -26.886 1.00 0.00 H new ATOM 0 HA LYS A 30 11.370 -13.747 -27.344 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.281 -15.043 -28.399 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.100 -15.998 -29.273 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.940 -14.382 -30.803 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.312 -13.876 -30.395 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.117 -12.166 -28.893 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.751 -12.799 -28.936 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.272 -11.620 -31.322 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.459 -10.767 -30.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.698 -11.543 -32.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.978 -12.756 -30.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.866 -13.020 -32.217 1.00 0.00 H new ATOM 456 N ALA A 31 9.195 -15.996 -28.011 1.00 0.00 N ATOM 457 CA ALA A 31 7.875 -16.238 -28.564 1.00 0.00 C ATOM 458 C ALA A 31 6.817 -16.282 -27.479 1.00 0.00 C ATOM 459 O ALA A 31 5.632 -16.447 -27.756 1.00 0.00 O ATOM 460 CB ALA A 31 7.866 -17.524 -29.370 1.00 0.00 C ATOM 0 H ALA A 31 9.543 -16.726 -27.390 1.00 0.00 H new ATOM 0 HA ALA A 31 7.634 -15.407 -29.227 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.869 -17.691 -29.778 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.584 -17.447 -30.187 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.139 -18.359 -28.725 1.00 0.00 H new ATOM 466 N CYS A 32 7.244 -16.131 -26.247 1.00 0.00 N ATOM 467 CA CYS A 32 6.320 -16.128 -25.149 1.00 0.00 C ATOM 468 C CYS A 32 5.794 -14.723 -24.883 1.00 0.00 C ATOM 469 O CYS A 32 4.615 -14.457 -25.075 1.00 0.00 O ATOM 470 CB CYS A 32 6.956 -16.725 -23.896 1.00 0.00 C ATOM 471 SG CYS A 32 7.475 -18.463 -24.076 1.00 0.00 S ATOM 0 H CYS A 32 8.222 -16.009 -25.986 1.00 0.00 H new ATOM 0 HA CYS A 32 5.472 -16.756 -25.422 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.824 -16.125 -23.622 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.246 -16.653 -23.072 1.00 0.00 H new ATOM 0 HG CYS A 32 6.996 -19.163 -23.091 1.00 0.00 H new ATOM 476 N ILE A 33 6.679 -13.822 -24.472 1.00 0.00 N ATOM 477 CA ILE A 33 6.259 -12.472 -24.104 1.00 0.00 C ATOM 478 C ILE A 33 5.760 -11.671 -25.309 1.00 0.00 C ATOM 479 O ILE A 33 4.770 -10.946 -25.215 1.00 0.00 O ATOM 480 CB ILE A 33 7.359 -11.689 -23.334 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.790 -10.396 -22.735 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.561 -11.390 -24.224 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.694 -10.626 -21.710 1.00 0.00 C ATOM 0 H ILE A 33 7.680 -13.997 -24.385 1.00 0.00 H new ATOM 0 HA ILE A 33 5.419 -12.601 -23.421 1.00 0.00 H new ATOM 0 HB ILE A 33 7.703 -12.323 -22.517 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.600 -9.836 -22.268 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.397 -9.776 -23.540 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.310 -10.842 -23.652 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.991 -12.326 -24.581 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.243 -10.789 -25.075 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.342 -9.666 -21.332 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.865 -11.158 -22.177 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.087 -11.219 -20.884 1.00 0.00 H new ATOM 495 N ILE A 34 6.420 -11.835 -26.446 1.00 0.00 N ATOM 496 CA ILE A 34 6.069 -11.104 -27.654 1.00 0.00 C ATOM 497 C ILE A 34 4.656 -11.453 -28.112 1.00 0.00 C ATOM 498 O ILE A 34 3.870 -10.571 -28.427 1.00 0.00 O ATOM 499 CB ILE A 34 7.122 -11.283 -28.792 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.437 -10.597 -28.389 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.618 -10.728 -30.119 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.594 -10.857 -29.326 1.00 0.00 C ATOM 0 H ILE A 34 7.208 -12.473 -26.557 1.00 0.00 H new ATOM 0 HA ILE A 34 6.082 -10.043 -27.404 1.00 0.00 H new ATOM 0 HB ILE A 34 7.295 -12.350 -28.931 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.268 -9.522 -28.331 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.714 -10.931 -27.389 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.379 -10.871 -30.886 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.707 -11.251 -30.410 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.407 -9.664 -30.012 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.480 -10.335 -28.964 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.796 -11.927 -29.367 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.342 -10.497 -30.324 1.00 0.00 H new ATOM 514 N LYS A 35 4.312 -12.728 -28.069 1.00 0.00 N ATOM 515 CA LYS A 35 2.997 -13.184 -28.519 1.00 0.00 C ATOM 516 C LYS A 35 1.928 -12.906 -27.437 1.00 0.00 C ATOM 517 O LYS A 35 0.735 -13.136 -27.638 1.00 0.00 O ATOM 518 CB LYS A 35 3.059 -14.689 -28.877 1.00 0.00 C ATOM 519 CG LYS A 35 1.733 -15.324 -29.304 1.00 0.00 C ATOM 520 CD LYS A 35 1.166 -14.684 -30.564 1.00 0.00 C ATOM 521 CE LYS A 35 -0.195 -15.271 -30.902 1.00 0.00 C ATOM 522 NZ LYS A 35 -0.820 -14.624 -32.083 1.00 0.00 N ATOM 0 H LYS A 35 4.922 -13.471 -27.728 1.00 0.00 H new ATOM 0 HA LYS A 35 2.712 -12.630 -29.413 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.781 -14.823 -29.683 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.440 -15.234 -28.013 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.882 -16.390 -29.476 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.010 -15.230 -28.494 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.077 -13.607 -30.422 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.852 -14.840 -31.397 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.089 -16.339 -31.092 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.856 -15.164 -30.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.745 -15.061 -32.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.948 -13.609 -31.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.205 -14.748 -32.913 1.00 0.00 H new ATOM 536 N SER A 36 2.353 -12.366 -26.312 1.00 0.00 N ATOM 537 CA SER A 36 1.413 -12.017 -25.274 1.00 0.00 C ATOM 538 C SER A 36 1.189 -10.512 -25.199 1.00 0.00 C ATOM 539 O SER A 36 0.137 -10.073 -24.766 1.00 0.00 O ATOM 540 CB SER A 36 1.868 -12.558 -23.922 1.00 0.00 C ATOM 541 OG SER A 36 1.943 -13.969 -23.953 1.00 0.00 O ATOM 0 H SER A 36 3.329 -12.163 -26.098 1.00 0.00 H new ATOM 0 HA SER A 36 0.461 -12.481 -25.530 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.842 -12.142 -23.666 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.173 -12.242 -23.145 1.00 0.00 H new ATOM 0 HG SER A 36 2.816 -14.243 -24.304 1.00 0.00 H new ATOM 547 N ILE A 37 2.141 -9.725 -25.680 1.00 0.00 N ATOM 548 CA ILE A 37 2.008 -8.272 -25.571 1.00 0.00 C ATOM 549 C ILE A 37 1.594 -7.641 -26.886 1.00 0.00 C ATOM 550 O ILE A 37 1.163 -6.489 -26.923 1.00 0.00 O ATOM 551 CB ILE A 37 3.300 -7.589 -25.055 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.487 -7.877 -25.987 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.597 -8.020 -23.623 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.764 -7.144 -25.621 1.00 0.00 C ATOM 0 H ILE A 37 2.992 -10.051 -26.138 1.00 0.00 H new ATOM 0 HA ILE A 37 1.221 -8.107 -24.835 1.00 0.00 H new ATOM 0 HB ILE A 37 3.142 -6.511 -25.055 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.684 -8.949 -25.983 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.207 -7.608 -27.005 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.508 -7.531 -23.277 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.765 -7.737 -22.978 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.731 -9.101 -23.589 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.549 -7.405 -26.330 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.588 -6.069 -25.654 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.073 -7.431 -24.616 1.00 0.00 H new ATOM 566 N ARG A 38 1.695 -8.395 -27.965 1.00 0.00 N ATOM 567 CA ARG A 38 1.247 -7.897 -29.251 1.00 0.00 C ATOM 568 C ARG A 38 -0.105 -8.503 -29.594 1.00 0.00 C ATOM 569 O ARG A 38 -0.659 -8.237 -30.656 1.00 0.00 O ATOM 570 CB ARG A 38 2.262 -8.216 -30.359 1.00 0.00 C ATOM 571 CG ARG A 38 2.321 -9.681 -30.768 1.00 0.00 C ATOM 572 CD ARG A 38 3.371 -9.924 -31.840 1.00 0.00 C ATOM 573 NE ARG A 38 3.096 -9.190 -33.082 1.00 0.00 N ATOM 574 CZ ARG A 38 3.830 -9.275 -34.196 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.825 -10.150 -34.282 1.00 0.00 N ATOM 576 NH2 ARG A 38 3.550 -8.498 -35.236 1.00 0.00 N ATOM 0 H ARG A 38 2.077 -9.341 -27.978 1.00 0.00 H new ATOM 0 HA ARG A 38 1.155 -6.813 -29.183 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.020 -7.618 -31.237 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.252 -7.906 -30.025 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.544 -10.294 -29.895 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.345 -9.995 -31.137 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.349 -9.630 -31.458 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.422 -10.991 -32.057 1.00 0.00 H new ATOM 0 HE ARG A 38 2.286 -8.570 -33.096 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.034 -10.764 -33.494 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.380 -10.209 -35.136 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.775 -7.837 -35.185 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.110 -8.563 -36.086 1.00 0.00 H new ATOM 590 N ASP A 39 -0.632 -9.318 -28.683 1.00 0.00 N ATOM 591 CA ASP A 39 -1.851 -10.071 -28.960 1.00 0.00 C ATOM 592 C ASP A 39 -2.820 -10.046 -27.779 1.00 0.00 C ATOM 593 O ASP A 39 -3.964 -9.607 -27.915 1.00 0.00 O ATOM 594 CB ASP A 39 -1.491 -11.515 -29.326 1.00 0.00 C ATOM 595 CG ASP A 39 -2.692 -12.383 -29.624 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.149 -12.402 -30.788 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.170 -13.073 -28.710 1.00 0.00 O ATOM 0 H ASP A 39 -0.238 -9.473 -27.755 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.357 -9.595 -29.800 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.834 -11.507 -30.196 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.927 -11.959 -28.505 1.00 0.00 H new ATOM 602 N ALA A 40 -2.357 -10.491 -26.616 1.00 0.00 N ATOM 603 CA ALA A 40 -3.212 -10.566 -25.437 1.00 0.00 C ATOM 604 C ALA A 40 -3.355 -9.198 -24.767 1.00 0.00 C ATOM 605 O ALA A 40 -4.426 -8.597 -24.785 1.00 0.00 O ATOM 606 CB ALA A 40 -2.686 -11.611 -24.457 1.00 0.00 C ATOM 0 H ALA A 40 -1.398 -10.804 -26.465 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.206 -10.876 -25.759 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.338 -11.652 -23.584 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.667 -12.587 -24.942 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.677 -11.341 -24.144 1.00 0.00 H new ATOM 612 N GLY A 41 -2.275 -8.709 -24.196 1.00 0.00 N ATOM 613 CA GLY A 41 -2.279 -7.410 -23.562 1.00 0.00 C ATOM 614 C GLY A 41 -0.905 -6.806 -23.620 1.00 0.00 C ATOM 615 O GLY A 41 0.073 -7.523 -23.542 1.00 0.00 O ATOM 0 H GLY A 41 -1.379 -9.195 -24.158 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.994 -6.755 -24.060 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.601 -7.503 -22.525 1.00 0.00 H new ATOM 619 N HIS A 42 -0.819 -5.493 -23.722 1.00 0.00 N ATOM 620 CA HIS A 42 0.460 -4.814 -23.966 1.00 0.00 C ATOM 621 C HIS A 42 1.225 -4.581 -22.649 1.00 0.00 C ATOM 622 O HIS A 42 1.945 -3.591 -22.481 1.00 0.00 O ATOM 623 CB HIS A 42 0.203 -3.495 -24.703 1.00 0.00 C ATOM 624 CG HIS A 42 1.388 -2.956 -25.443 1.00 0.00 C ATOM 625 ND1 HIS A 42 1.902 -1.696 -25.238 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.128 -3.503 -26.430 1.00 0.00 C ATOM 627 CE1 HIS A 42 2.912 -1.500 -26.059 1.00 0.00 C ATOM 628 NE2 HIS A 42 3.064 -2.580 -26.793 1.00 0.00 N ATOM 0 H HIS A 42 -1.618 -4.864 -23.641 1.00 0.00 H new ATOM 0 HA HIS A 42 1.087 -5.450 -24.591 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.615 -3.641 -25.409 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.129 -2.749 -23.981 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.002 -4.488 -26.854 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.513 -0.605 -26.119 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.770 -2.707 -27.518 1.00 0.00 H new ATOM 637 N LYS A 43 1.074 -5.511 -21.746 1.00 0.00 N ATOM 638 CA LYS A 43 1.712 -5.466 -20.452 1.00 0.00 C ATOM 639 C LYS A 43 2.091 -6.876 -20.054 1.00 0.00 C ATOM 640 O LYS A 43 1.476 -7.835 -20.538 1.00 0.00 O ATOM 641 CB LYS A 43 0.766 -4.837 -19.411 1.00 0.00 C ATOM 642 CG LYS A 43 -0.495 -5.651 -19.123 1.00 0.00 C ATOM 643 CD LYS A 43 -1.376 -4.991 -18.065 1.00 0.00 C ATOM 644 CE LYS A 43 -2.003 -3.698 -18.578 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.883 -3.054 -17.559 1.00 0.00 N ATOM 0 H LYS A 43 0.494 -6.338 -21.888 1.00 0.00 H new ATOM 0 HA LYS A 43 2.609 -4.848 -20.499 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.314 -4.698 -18.479 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.472 -3.847 -19.758 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.065 -5.773 -20.044 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.213 -6.649 -18.788 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.163 -5.682 -17.764 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.781 -4.779 -17.177 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.214 -3.003 -18.865 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.584 -3.909 -19.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.287 -2.180 -17.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.652 -3.706 -17.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.324 -2.827 -16.711 1.00 0.00 H new ATOM 659 N CYS A 44 3.094 -7.017 -19.201 1.00 0.00 N ATOM 660 CA CYS A 44 3.502 -8.328 -18.747 1.00 0.00 C ATOM 661 C CYS A 44 2.378 -8.978 -17.945 1.00 0.00 C ATOM 662 O CYS A 44 1.819 -8.366 -17.038 1.00 0.00 O ATOM 663 CB CYS A 44 4.809 -8.269 -17.932 1.00 0.00 C ATOM 664 SG CYS A 44 4.770 -7.204 -16.462 1.00 0.00 S ATOM 0 H CYS A 44 3.634 -6.243 -18.814 1.00 0.00 H new ATOM 0 HA CYS A 44 3.704 -8.943 -19.624 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.067 -9.281 -17.619 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.609 -7.925 -18.587 1.00 0.00 H new ATOM 0 HG CYS A 44 5.124 -7.893 -15.418 1.00 0.00 H new ATOM 669 N PRO A 45 2.025 -10.228 -18.273 1.00 0.00 N ATOM 670 CA PRO A 45 0.940 -10.944 -17.592 1.00 0.00 C ATOM 671 C PRO A 45 1.278 -11.204 -16.132 1.00 0.00 C ATOM 672 O PRO A 45 0.392 -11.472 -15.313 1.00 0.00 O ATOM 673 CB PRO A 45 0.846 -12.265 -18.372 1.00 0.00 C ATOM 674 CG PRO A 45 2.189 -12.431 -18.983 1.00 0.00 C ATOM 675 CD PRO A 45 2.648 -11.046 -19.327 1.00 0.00 C ATOM 0 HA PRO A 45 0.006 -10.381 -17.580 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.604 -13.099 -17.713 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.066 -12.223 -19.132 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.879 -12.912 -18.289 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.141 -13.060 -19.872 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.735 -10.965 -19.314 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.318 -10.745 -20.321 1.00 0.00 H new ATOM 683 N VAL A 46 2.565 -11.122 -15.827 1.00 0.00 N ATOM 684 CA VAL A 46 3.087 -11.395 -14.504 1.00 0.00 C ATOM 685 C VAL A 46 2.588 -10.361 -13.490 1.00 0.00 C ATOM 686 O VAL A 46 1.716 -10.658 -12.675 1.00 0.00 O ATOM 687 CB VAL A 46 4.634 -11.378 -14.510 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.188 -11.729 -13.141 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.182 -12.316 -15.570 1.00 0.00 C ATOM 0 H VAL A 46 3.282 -10.860 -16.503 1.00 0.00 H new ATOM 0 HA VAL A 46 2.732 -12.384 -14.215 1.00 0.00 H new ATOM 0 HB VAL A 46 4.956 -10.366 -14.754 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.277 -11.710 -13.173 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.834 -11.004 -12.408 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.851 -12.726 -12.857 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.271 -12.286 -15.554 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.844 -13.332 -15.367 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.825 -12.004 -16.551 1.00 0.00 H new ATOM 699 N ASP A 47 3.133 -9.153 -13.552 1.00 0.00 N ATOM 700 CA ASP A 47 2.776 -8.111 -12.593 1.00 0.00 C ATOM 701 C ASP A 47 2.117 -6.903 -13.243 1.00 0.00 C ATOM 702 O ASP A 47 2.001 -5.838 -12.629 1.00 0.00 O ATOM 703 CB ASP A 47 3.944 -7.728 -11.673 1.00 0.00 C ATOM 704 CG ASP A 47 5.167 -7.208 -12.379 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.209 -7.209 -13.631 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.111 -6.799 -11.678 1.00 0.00 O ATOM 0 H ASP A 47 3.820 -8.870 -14.251 1.00 0.00 H new ATOM 0 HA ASP A 47 2.015 -8.550 -11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.599 -6.970 -10.970 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.226 -8.602 -11.086 1.00 0.00 H new ATOM 711 N ASN A 48 1.665 -7.091 -14.484 1.00 0.00 N ATOM 712 CA ASN A 48 0.846 -6.109 -15.224 1.00 0.00 C ATOM 713 C ASN A 48 1.568 -4.793 -15.505 1.00 0.00 C ATOM 714 O ASN A 48 0.950 -3.729 -15.533 1.00 0.00 O ATOM 715 CB ASN A 48 -0.485 -5.849 -14.497 1.00 0.00 C ATOM 716 CG ASN A 48 -1.401 -7.057 -14.492 1.00 0.00 C ATOM 717 OD1 ASN A 48 -2.092 -7.327 -15.472 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.429 -7.781 -13.379 1.00 0.00 N ATOM 0 H ASN A 48 1.856 -7.939 -15.017 1.00 0.00 H new ATOM 0 HA ASN A 48 0.646 -6.560 -16.196 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.279 -5.551 -13.469 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.997 -5.013 -14.975 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.040 -8.595 -13.315 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.839 -7.523 -12.588 1.00 0.00 H new ATOM 725 N GLU A 49 2.852 -4.865 -15.749 1.00 0.00 N ATOM 726 CA GLU A 49 3.632 -3.687 -16.085 1.00 0.00 C ATOM 727 C GLU A 49 3.633 -3.476 -17.595 1.00 0.00 C ATOM 728 O GLU A 49 3.725 -4.437 -18.361 1.00 0.00 O ATOM 729 CB GLU A 49 5.050 -3.835 -15.556 1.00 0.00 C ATOM 730 CG GLU A 49 5.139 -3.827 -14.041 1.00 0.00 C ATOM 731 CD GLU A 49 6.531 -4.114 -13.541 1.00 0.00 C ATOM 732 OE1 GLU A 49 7.097 -5.162 -13.936 1.00 0.00 O ATOM 733 OE2 GLU A 49 7.062 -3.320 -12.741 1.00 0.00 O ATOM 0 H GLU A 49 3.389 -5.732 -15.722 1.00 0.00 H new ATOM 0 HA GLU A 49 3.182 -2.811 -15.618 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.473 -4.767 -15.931 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.663 -3.025 -15.952 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.816 -2.856 -13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.451 -4.570 -13.636 1.00 0.00 H new ATOM 740 N ILE A 50 3.518 -2.229 -18.012 1.00 0.00 N ATOM 741 CA ILE A 50 3.412 -1.881 -19.426 1.00 0.00 C ATOM 742 C ILE A 50 4.697 -2.200 -20.171 1.00 0.00 C ATOM 743 O ILE A 50 5.776 -1.718 -19.816 1.00 0.00 O ATOM 744 CB ILE A 50 3.040 -0.383 -19.630 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.671 -0.075 -19.010 1.00 0.00 C ATOM 746 CG2 ILE A 50 3.063 0.009 -21.113 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.523 -0.858 -19.620 1.00 0.00 C ATOM 0 H ILE A 50 3.495 -1.425 -17.384 1.00 0.00 H new ATOM 0 HA ILE A 50 2.607 -2.490 -19.837 1.00 0.00 H new ATOM 0 HB ILE A 50 3.795 0.215 -19.120 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.713 -0.286 -17.941 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.467 0.990 -19.117 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.798 1.061 -21.215 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.062 -0.155 -21.517 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.345 -0.601 -21.662 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.409 -0.582 -19.126 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.451 -0.630 -20.683 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.701 -1.925 -19.489 1.00 0.00 H new ATOM 759 N LEU A 51 4.577 -3.023 -21.189 1.00 0.00 N ATOM 760 CA LEU A 51 5.714 -3.408 -21.970 1.00 0.00 C ATOM 761 C LEU A 51 5.646 -2.866 -23.373 1.00 0.00 C ATOM 762 O LEU A 51 4.650 -3.018 -24.065 1.00 0.00 O ATOM 763 CB LEU A 51 5.895 -4.922 -21.994 1.00 0.00 C ATOM 764 CG LEU A 51 6.197 -5.579 -20.663 1.00 0.00 C ATOM 765 CD1 LEU A 51 6.411 -7.065 -20.855 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.410 -4.936 -20.021 1.00 0.00 C ATOM 0 H LEU A 51 3.695 -3.437 -21.491 1.00 0.00 H new ATOM 0 HA LEU A 51 6.585 -2.968 -21.484 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.987 -5.369 -22.399 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.704 -5.160 -22.685 1.00 0.00 H new ATOM 0 HG LEU A 51 5.346 -5.437 -19.996 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.628 -7.529 -19.893 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.511 -7.511 -21.278 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.249 -7.227 -21.533 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.615 -5.419 -19.065 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.273 -5.050 -20.677 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.216 -3.876 -19.858 1.00 0.00 H new ATOM 778 N LEU A 52 6.716 -2.232 -23.775 1.00 0.00 N ATOM 779 CA LEU A 52 6.868 -1.755 -25.125 1.00 0.00 C ATOM 780 C LEU A 52 7.848 -2.687 -25.833 1.00 0.00 C ATOM 781 O LEU A 52 8.898 -3.016 -25.276 1.00 0.00 O ATOM 782 CB LEU A 52 7.435 -0.328 -25.113 1.00 0.00 C ATOM 783 CG LEU A 52 6.649 0.735 -24.330 1.00 0.00 C ATOM 784 CD1 LEU A 52 7.350 2.077 -24.414 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.218 0.847 -24.827 1.00 0.00 C ATOM 0 H LEU A 52 7.513 -2.030 -23.171 1.00 0.00 H new ATOM 0 HA LEU A 52 5.906 -1.742 -25.637 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.445 -0.370 -24.705 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.522 0.009 -26.146 1.00 0.00 H new ATOM 0 HG LEU A 52 6.612 0.423 -23.286 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.782 2.820 -23.855 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.351 1.992 -23.991 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.422 2.385 -25.457 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.691 1.608 -24.251 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.220 1.126 -25.881 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.715 -0.112 -24.706 1.00 0.00 H new ATOM 797 N GLU A 53 7.507 -3.112 -27.035 1.00 0.00 N ATOM 798 CA GLU A 53 8.308 -4.082 -27.769 1.00 0.00 C ATOM 799 C GLU A 53 9.712 -3.565 -28.056 1.00 0.00 C ATOM 800 O GLU A 53 10.680 -4.311 -27.981 1.00 0.00 O ATOM 801 CB GLU A 53 7.633 -4.508 -29.083 1.00 0.00 C ATOM 802 CG GLU A 53 6.276 -5.190 -28.928 1.00 0.00 C ATOM 803 CD GLU A 53 5.096 -4.222 -28.865 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.196 -3.156 -28.210 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.063 -4.512 -29.483 1.00 0.00 O ATOM 0 H GLU A 53 6.672 -2.799 -27.531 1.00 0.00 H new ATOM 0 HA GLU A 53 8.389 -4.956 -27.122 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.508 -3.626 -29.711 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.303 -5.185 -29.614 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.127 -5.874 -29.764 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.286 -5.794 -28.020 1.00 0.00 H new ATOM 812 N ASN A 54 9.823 -2.287 -28.361 1.00 0.00 N ATOM 813 CA ASN A 54 11.132 -1.696 -28.648 1.00 0.00 C ATOM 814 C ASN A 54 11.949 -1.499 -27.373 1.00 0.00 C ATOM 815 O ASN A 54 13.146 -1.242 -27.428 1.00 0.00 O ATOM 816 CB ASN A 54 11.016 -0.373 -29.420 1.00 0.00 C ATOM 817 CG ASN A 54 10.350 0.749 -28.636 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.496 0.511 -27.775 1.00 0.00 O ATOM 819 ND2 ASN A 54 10.745 1.973 -28.923 1.00 0.00 N ATOM 0 H ASN A 54 9.038 -1.638 -28.418 1.00 0.00 H new ATOM 0 HA ASN A 54 11.657 -2.406 -29.287 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.014 -0.050 -29.718 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.450 -0.547 -30.335 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.343 2.768 -28.427 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.453 2.125 -29.641 1.00 0.00 H new ATOM 826 N GLN A 55 11.291 -1.615 -26.227 1.00 0.00 N ATOM 827 CA GLN A 55 11.964 -1.536 -24.945 1.00 0.00 C ATOM 828 C GLN A 55 12.477 -2.903 -24.513 1.00 0.00 C ATOM 829 O GLN A 55 13.210 -3.013 -23.527 1.00 0.00 O ATOM 830 CB GLN A 55 11.061 -0.921 -23.868 1.00 0.00 C ATOM 831 CG GLN A 55 10.721 0.545 -24.107 1.00 0.00 C ATOM 832 CD GLN A 55 11.935 1.452 -24.049 1.00 0.00 C ATOM 833 OE1 GLN A 55 12.613 1.668 -25.051 1.00 0.00 O ATOM 834 NE2 GLN A 55 12.208 2.000 -22.881 1.00 0.00 N ATOM 0 H GLN A 55 10.284 -1.765 -26.163 1.00 0.00 H new ATOM 0 HA GLN A 55 12.822 -0.875 -25.067 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.135 -1.494 -23.814 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.552 -1.016 -22.899 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.244 0.647 -25.082 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.995 0.870 -23.361 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.621 1.796 -22.072 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.006 2.628 -22.786 1.00 0.00 H new ATOM 843 N LEU A 56 12.082 -3.952 -25.244 1.00 0.00 N ATOM 844 CA LEU A 56 12.568 -5.298 -24.947 1.00 0.00 C ATOM 845 C LEU A 56 14.006 -5.408 -25.384 1.00 0.00 C ATOM 846 O LEU A 56 14.376 -4.939 -26.470 1.00 0.00 O ATOM 847 CB LEU A 56 11.751 -6.372 -25.697 1.00 0.00 C ATOM 848 CG LEU A 56 10.256 -6.460 -25.374 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.583 -7.528 -26.222 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.035 -6.739 -23.899 1.00 0.00 C ATOM 0 H LEU A 56 11.438 -3.894 -26.032 1.00 0.00 H new ATOM 0 HA LEU A 56 12.467 -5.465 -23.875 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.856 -6.192 -26.767 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.200 -7.344 -25.492 1.00 0.00 H new ATOM 0 HG LEU A 56 9.805 -5.496 -25.611 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.522 -7.573 -25.976 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.701 -7.282 -27.277 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.043 -8.495 -26.021 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.966 -6.797 -23.696 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.506 -7.685 -23.633 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.474 -5.936 -23.307 1.00 0.00 H new