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 24 CYS SG : rot -109:sc= 1.26 USER MOD Set 1.2: A 26 HIS : no HE2:sc= 0.701 K(o=2.3,f=-2.8) USER MOD Set 1.3: A 44 CYS SG : rot 172:sc= 0.384 USER MOD Set 2.1: A 9 CYS SG : rot -160:sc= 0.958 USER MOD Set 2.2: A 12 CYS SG : rot -67:sc= 0.249 USER MOD Set 2.3: A 29 CYS SG : rot 180:sc= -0.366 USER MOD Set 2.4: A 32 CYS SG : rot -162:sc= -2.6! USER MOD Single : A 14 MET CE :methyl 164:sc= -0.688 (180deg=-0.853) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot -83:sc= 1.93 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.14) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.95 K(o=0.95,f=-4!) 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=-1.8) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 55 GLN : amide:sc= -0.0467 X(o=-0.047,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 13.894 -17.873 -15.792 1.00 0.00 N ATOM 105 CA GLU A 8 12.666 -18.534 -16.163 1.00 0.00 C ATOM 106 C GLU A 8 11.741 -17.559 -16.866 1.00 0.00 C ATOM 107 O GLU A 8 11.664 -16.384 -16.495 1.00 0.00 O ATOM 108 CB GLU A 8 11.962 -19.090 -14.926 1.00 0.00 C ATOM 109 CG GLU A 8 10.680 -19.854 -15.229 1.00 0.00 C ATOM 110 CD GLU A 8 9.990 -20.347 -13.985 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.328 -19.538 -13.305 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.107 -21.546 -13.662 1.00 0.00 O ATOM 0 HA GLU A 8 12.911 -19.356 -16.836 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.649 -19.750 -14.397 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.730 -18.265 -14.252 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.000 -19.209 -15.785 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.911 -20.703 -15.872 1.00 0.00 H new ATOM 119 N CYS A 9 11.064 -18.042 -17.879 1.00 0.00 N ATOM 120 CA CYS A 9 10.054 -17.290 -18.568 1.00 0.00 C ATOM 121 C CYS A 9 8.706 -17.645 -17.962 1.00 0.00 C ATOM 122 O CYS A 9 8.204 -18.755 -18.163 1.00 0.00 O ATOM 123 CB CYS A 9 10.086 -17.662 -20.052 1.00 0.00 C ATOM 124 SG CYS A 9 8.789 -16.919 -21.103 1.00 0.00 S ATOM 0 H CYS A 9 11.204 -18.982 -18.250 1.00 0.00 H new ATOM 0 HA CYS A 9 10.228 -16.218 -18.470 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.058 -17.377 -20.455 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.013 -18.746 -20.134 1.00 0.00 H new ATOM 0 HG CYS A 9 8.665 -17.613 -22.195 1.00 0.00 H new ATOM 129 N PRO A 10 8.099 -16.722 -17.207 1.00 0.00 N ATOM 130 CA PRO A 10 6.855 -16.985 -16.476 1.00 0.00 C ATOM 131 C PRO A 10 5.682 -17.321 -17.400 1.00 0.00 C ATOM 132 O PRO A 10 4.681 -17.867 -16.960 1.00 0.00 O ATOM 133 CB PRO A 10 6.582 -15.662 -15.749 1.00 0.00 C ATOM 134 CG PRO A 10 7.896 -14.967 -15.711 1.00 0.00 C ATOM 135 CD PRO A 10 8.588 -15.352 -16.979 1.00 0.00 C ATOM 0 HA PRO A 10 6.956 -17.847 -15.817 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.836 -15.068 -16.277 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.198 -15.836 -14.744 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.767 -13.887 -15.647 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.476 -15.271 -14.840 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.327 -14.686 -17.802 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.673 -15.321 -16.875 1.00 0.00 H new ATOM 143 N ILE A 11 5.795 -16.958 -18.663 1.00 0.00 N ATOM 144 CA ILE A 11 4.755 -17.250 -19.646 1.00 0.00 C ATOM 145 C ILE A 11 4.623 -18.758 -19.902 1.00 0.00 C ATOM 146 O ILE A 11 3.518 -19.298 -19.949 1.00 0.00 O ATOM 147 CB ILE A 11 4.989 -16.473 -20.963 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.821 -14.978 -20.692 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.020 -16.925 -22.060 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.236 -14.089 -21.834 1.00 0.00 C ATOM 0 H ILE A 11 6.600 -16.457 -19.040 1.00 0.00 H new ATOM 0 HA ILE A 11 3.809 -16.909 -19.226 1.00 0.00 H new ATOM 0 HB ILE A 11 6.000 -16.677 -21.316 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.776 -14.779 -20.454 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.405 -14.713 -19.810 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.212 -16.359 -22.971 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.163 -17.988 -22.256 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.995 -16.751 -21.734 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.084 -13.046 -21.557 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.289 -14.255 -22.060 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.635 -14.322 -22.713 1.00 0.00 H new ATOM 162 N CYS A 12 5.754 -19.430 -20.046 1.00 0.00 N ATOM 163 CA CYS A 12 5.744 -20.854 -20.327 1.00 0.00 C ATOM 164 C CYS A 12 6.067 -21.678 -19.086 1.00 0.00 C ATOM 165 O CYS A 12 5.869 -22.901 -19.076 1.00 0.00 O ATOM 166 CB CYS A 12 6.707 -21.182 -21.473 1.00 0.00 C ATOM 167 SG CYS A 12 8.397 -20.540 -21.250 1.00 0.00 S ATOM 0 H CYS A 12 6.683 -19.015 -19.973 1.00 0.00 H new ATOM 0 HA CYS A 12 4.734 -21.124 -20.637 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.756 -22.265 -21.590 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.299 -20.779 -22.400 1.00 0.00 H new ATOM 0 HG CYS A 12 8.379 -19.241 -21.304 1.00 0.00 H new ATOM 172 N LEU A 13 6.571 -20.996 -18.046 1.00 0.00 N ATOM 173 CA LEU A 13 6.962 -21.623 -16.772 1.00 0.00 C ATOM 174 C LEU A 13 8.200 -22.490 -16.964 1.00 0.00 C ATOM 175 O LEU A 13 8.454 -23.421 -16.195 1.00 0.00 O ATOM 176 CB LEU A 13 5.814 -22.447 -16.138 1.00 0.00 C ATOM 177 CG LEU A 13 4.685 -21.667 -15.437 1.00 0.00 C ATOM 178 CD1 LEU A 13 3.870 -20.851 -16.426 1.00 0.00 C ATOM 179 CD2 LEU A 13 3.791 -22.614 -14.652 1.00 0.00 C ATOM 0 H LEU A 13 6.720 -19.987 -18.065 1.00 0.00 H new ATOM 0 HA LEU A 13 7.194 -20.816 -16.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.365 -23.058 -16.921 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.252 -23.131 -15.412 1.00 0.00 H new ATOM 0 HG LEU A 13 5.148 -20.968 -14.740 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.084 -20.315 -15.895 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.520 -20.136 -16.930 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.421 -21.516 -17.164 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.999 -22.046 -14.164 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.349 -23.343 -15.331 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.383 -23.133 -13.898 1.00 0.00 H new ATOM 191 N MET A 14 8.968 -22.173 -17.990 1.00 0.00 N ATOM 192 CA MET A 14 10.177 -22.903 -18.322 1.00 0.00 C ATOM 193 C MET A 14 11.337 -21.934 -18.467 1.00 0.00 C ATOM 194 O MET A 14 11.134 -20.717 -18.479 1.00 0.00 O ATOM 195 CB MET A 14 10.004 -23.690 -19.631 1.00 0.00 C ATOM 196 CG MET A 14 8.945 -24.777 -19.578 1.00 0.00 C ATOM 197 SD MET A 14 8.881 -25.774 -21.084 1.00 0.00 S ATOM 198 CE MET A 14 8.273 -24.577 -22.271 1.00 0.00 C ATOM 0 H MET A 14 8.769 -21.396 -18.621 1.00 0.00 H new ATOM 0 HA MET A 14 10.381 -23.609 -17.517 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.750 -22.992 -20.429 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.959 -24.144 -19.896 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.142 -25.428 -18.726 1.00 0.00 H new ATOM 0 HG3 MET A 14 7.970 -24.319 -19.410 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.447 -24.946 -23.282 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.204 -24.425 -22.119 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.797 -23.631 -22.135 1.00 0.00 H new ATOM 208 N ALA A 15 12.543 -22.474 -18.568 1.00 0.00 N ATOM 209 CA ALA A 15 13.746 -21.675 -18.758 1.00 0.00 C ATOM 210 C ALA A 15 13.667 -20.874 -20.048 1.00 0.00 C ATOM 211 O ALA A 15 12.932 -21.239 -20.975 1.00 0.00 O ATOM 212 CB ALA A 15 14.982 -22.562 -18.768 1.00 0.00 C ATOM 0 H ALA A 15 12.716 -23.478 -18.521 1.00 0.00 H new ATOM 0 HA ALA A 15 13.821 -20.978 -17.923 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.870 -21.947 -18.911 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.057 -23.092 -17.819 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.906 -23.283 -19.582 1.00 0.00 H new ATOM 218 N LEU A 16 14.440 -19.802 -20.113 1.00 0.00 N ATOM 219 CA LEU A 16 14.395 -18.875 -21.235 1.00 0.00 C ATOM 220 C LEU A 16 14.973 -19.517 -22.487 1.00 0.00 C ATOM 221 O LEU A 16 16.041 -20.135 -22.446 1.00 0.00 O ATOM 222 CB LEU A 16 15.251 -17.646 -20.911 1.00 0.00 C ATOM 223 CG LEU A 16 14.868 -16.847 -19.673 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.855 -15.728 -19.430 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.464 -16.305 -19.797 1.00 0.00 C ATOM 0 H LEU A 16 15.115 -19.549 -19.392 1.00 0.00 H new ATOM 0 HA LEU A 16 13.354 -18.599 -21.406 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.285 -17.973 -20.797 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.221 -16.976 -21.770 1.00 0.00 H new ATOM 0 HG LEU A 16 14.898 -17.518 -18.815 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.561 -15.171 -18.541 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.851 -16.147 -19.284 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.866 -15.059 -20.290 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.212 -15.738 -18.901 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.401 -15.653 -20.668 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.763 -17.132 -19.911 1.00 0.00 H new ATOM 237 N ARG A 17 14.263 -19.375 -23.592 1.00 0.00 N ATOM 238 CA ARG A 17 14.749 -19.793 -24.896 1.00 0.00 C ATOM 239 C ARG A 17 15.745 -18.781 -25.462 1.00 0.00 C ATOM 240 O ARG A 17 16.913 -19.092 -25.655 1.00 0.00 O ATOM 241 CB ARG A 17 13.561 -20.006 -25.864 1.00 0.00 C ATOM 242 CG ARG A 17 13.918 -19.960 -27.348 1.00 0.00 C ATOM 243 CD ARG A 17 14.788 -21.109 -27.807 1.00 0.00 C ATOM 244 NE ARG A 17 15.206 -20.904 -29.196 1.00 0.00 N ATOM 245 CZ ARG A 17 14.588 -21.380 -30.287 1.00 0.00 C ATOM 246 NH1 ARG A 17 13.496 -22.137 -30.175 1.00 0.00 N ATOM 247 NH2 ARG A 17 15.073 -21.092 -31.491 1.00 0.00 N ATOM 0 H ARG A 17 13.329 -18.965 -23.611 1.00 0.00 H new ATOM 0 HA ARG A 17 15.275 -20.741 -24.781 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.104 -20.971 -25.646 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.808 -19.244 -25.664 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.998 -19.958 -27.933 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.432 -19.022 -27.559 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.664 -21.190 -27.164 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.240 -22.047 -27.719 1.00 0.00 H new ATOM 0 HE ARG A 17 16.047 -20.347 -29.348 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.122 -22.360 -29.252 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.034 -22.493 -31.012 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.908 -20.513 -31.579 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.610 -21.450 -32.326 1.00 0.00 H new ATOM 261 N GLU A 18 15.282 -17.563 -25.701 1.00 0.00 N ATOM 262 CA GLU A 18 16.149 -16.547 -26.292 1.00 0.00 C ATOM 263 C GLU A 18 16.689 -15.630 -25.210 1.00 0.00 C ATOM 264 O GLU A 18 17.711 -14.984 -25.392 1.00 0.00 O ATOM 265 CB GLU A 18 15.344 -15.708 -27.286 1.00 0.00 C ATOM 266 CG GLU A 18 14.589 -16.515 -28.333 1.00 0.00 C ATOM 267 CD GLU A 18 15.471 -17.209 -29.359 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.357 -18.004 -28.979 1.00 0.00 O ATOM 269 OE2 GLU A 18 15.258 -16.981 -30.563 1.00 0.00 O ATOM 0 H GLU A 18 14.330 -17.255 -25.501 1.00 0.00 H new ATOM 0 HA GLU A 18 16.977 -17.042 -26.799 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.630 -15.099 -26.732 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.022 -15.022 -27.794 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.985 -17.267 -27.826 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.900 -15.852 -28.856 1.00 0.00 H new ATOM 276 N ALA A 19 16.022 -15.646 -24.058 1.00 0.00 N ATOM 277 CA ALA A 19 16.334 -14.763 -22.933 1.00 0.00 C ATOM 278 C ALA A 19 16.293 -13.281 -23.318 1.00 0.00 C ATOM 279 O ALA A 19 17.304 -12.704 -23.701 1.00 0.00 O ATOM 280 CB ALA A 19 17.668 -15.125 -22.290 1.00 0.00 C ATOM 0 H ALA A 19 15.242 -16.278 -23.876 1.00 0.00 H new ATOM 0 HA ALA A 19 15.549 -14.920 -22.193 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.867 -14.449 -21.459 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.628 -16.150 -21.922 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.464 -15.035 -23.029 1.00 0.00 H new ATOM 286 N VAL A 20 15.113 -12.685 -23.239 1.00 0.00 N ATOM 287 CA VAL A 20 14.962 -11.261 -23.476 1.00 0.00 C ATOM 288 C VAL A 20 14.663 -10.516 -22.178 1.00 0.00 C ATOM 289 O VAL A 20 13.673 -10.797 -21.481 1.00 0.00 O ATOM 290 CB VAL A 20 13.921 -10.900 -24.585 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.363 -11.433 -25.937 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.523 -11.402 -24.248 1.00 0.00 C ATOM 0 H VAL A 20 14.244 -13.169 -23.012 1.00 0.00 H new ATOM 0 HA VAL A 20 15.925 -10.928 -23.863 1.00 0.00 H new ATOM 0 HB VAL A 20 13.874 -9.812 -24.633 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.622 -11.169 -26.692 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.325 -10.995 -26.204 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.459 -12.518 -25.887 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.835 -11.127 -25.048 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.542 -12.487 -24.142 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.190 -10.952 -23.313 1.00 0.00 H new ATOM 302 N GLN A 21 15.550 -9.620 -21.832 1.00 0.00 N ATOM 303 CA GLN A 21 15.428 -8.818 -20.635 1.00 0.00 C ATOM 304 C GLN A 21 14.468 -7.657 -20.875 1.00 0.00 C ATOM 305 O GLN A 21 14.472 -7.050 -21.946 1.00 0.00 O ATOM 306 CB GLN A 21 16.801 -8.283 -20.236 1.00 0.00 C ATOM 307 CG GLN A 21 16.824 -7.451 -18.965 1.00 0.00 C ATOM 308 CD GLN A 21 18.202 -6.875 -18.687 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.538 -5.786 -19.156 1.00 0.00 O ATOM 310 NE2 GLN A 21 19.008 -7.594 -17.942 1.00 0.00 N ATOM 0 H GLN A 21 16.389 -9.422 -22.378 1.00 0.00 H new ATOM 0 HA GLN A 21 15.034 -9.438 -19.830 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.480 -9.126 -20.112 1.00 0.00 H new ATOM 0 HB3 GLN A 21 17.190 -7.678 -21.055 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.102 -6.639 -19.050 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.512 -8.068 -18.122 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.695 -8.491 -17.571 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.948 -7.256 -17.734 1.00 0.00 H new ATOM 319 N THR A 22 13.637 -7.365 -19.895 1.00 0.00 N ATOM 320 CA THR A 22 12.728 -6.238 -19.987 1.00 0.00 C ATOM 321 C THR A 22 13.160 -5.146 -19.006 1.00 0.00 C ATOM 322 O THR A 22 13.815 -5.445 -17.998 1.00 0.00 O ATOM 323 CB THR A 22 11.285 -6.679 -19.666 1.00 0.00 C ATOM 324 OG1 THR A 22 11.238 -7.221 -18.345 1.00 0.00 O ATOM 325 CG2 THR A 22 10.824 -7.741 -20.649 1.00 0.00 C ATOM 0 H THR A 22 13.572 -7.892 -19.024 1.00 0.00 H new ATOM 0 HA THR A 22 12.758 -5.849 -21.005 1.00 0.00 H new ATOM 0 HB THR A 22 10.630 -5.811 -19.742 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.523 -8.158 -18.366 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.804 -8.041 -20.409 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.854 -7.338 -21.661 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.482 -8.607 -20.584 1.00 0.00 H new ATOM 333 N PRO A 23 12.797 -3.868 -19.270 1.00 0.00 N ATOM 334 CA PRO A 23 13.138 -2.739 -18.376 1.00 0.00 C ATOM 335 C PRO A 23 12.449 -2.865 -17.018 1.00 0.00 C ATOM 336 O PRO A 23 12.868 -2.259 -16.030 1.00 0.00 O ATOM 337 CB PRO A 23 12.619 -1.515 -19.132 1.00 0.00 C ATOM 338 CG PRO A 23 11.557 -2.053 -20.030 1.00 0.00 C ATOM 339 CD PRO A 23 12.030 -3.411 -20.450 1.00 0.00 C ATOM 0 HA PRO A 23 14.205 -2.692 -18.157 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.219 -0.766 -18.448 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.414 -1.034 -19.702 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.600 -2.115 -19.511 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.410 -1.405 -20.894 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.198 -4.078 -20.675 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.652 -3.365 -21.344 1.00 0.00 H new ATOM 347 N CYS A 24 11.388 -3.658 -16.989 1.00 0.00 N ATOM 348 CA CYS A 24 10.643 -3.917 -15.779 1.00 0.00 C ATOM 349 C CYS A 24 11.437 -4.870 -14.870 1.00 0.00 C ATOM 350 O CYS A 24 11.203 -4.941 -13.657 1.00 0.00 O ATOM 351 CB CYS A 24 9.281 -4.511 -16.141 1.00 0.00 C ATOM 352 SG CYS A 24 8.049 -4.515 -14.804 1.00 0.00 S ATOM 0 H CYS A 24 11.023 -4.139 -17.811 1.00 0.00 H new ATOM 0 HA CYS A 24 10.484 -2.986 -15.236 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.874 -3.954 -16.985 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.429 -5.537 -16.478 1.00 0.00 H new ATOM 0 HG CYS A 24 7.860 -5.733 -14.392 1.00 0.00 H new ATOM 357 N GLY A 25 12.385 -5.575 -15.465 1.00 0.00 N ATOM 358 CA GLY A 25 13.209 -6.494 -14.716 1.00 0.00 C ATOM 359 C GLY A 25 12.719 -7.921 -14.791 1.00 0.00 C ATOM 360 O GLY A 25 12.965 -8.710 -13.892 1.00 0.00 O ATOM 0 H GLY A 25 12.599 -5.525 -16.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.231 -6.446 -15.092 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.238 -6.180 -13.673 1.00 0.00 H new ATOM 364 N HIS A 26 12.018 -8.256 -15.853 1.00 0.00 N ATOM 365 CA HIS A 26 11.554 -9.630 -16.049 1.00 0.00 C ATOM 366 C HIS A 26 12.266 -10.201 -17.252 1.00 0.00 C ATOM 367 O HIS A 26 12.685 -9.447 -18.135 1.00 0.00 O ATOM 368 CB HIS A 26 10.047 -9.689 -16.326 1.00 0.00 C ATOM 369 CG HIS A 26 9.175 -9.020 -15.319 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.016 -9.465 -14.023 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.402 -7.919 -15.438 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.179 -8.662 -13.383 1.00 0.00 C ATOM 373 NE2 HIS A 26 7.792 -7.712 -14.227 1.00 0.00 N ATOM 0 H HIS A 26 11.754 -7.607 -16.594 1.00 0.00 H new ATOM 0 HA HIS A 26 11.763 -10.193 -15.140 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.858 -9.237 -17.300 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.751 -10.736 -16.397 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.472 -10.284 -13.621 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.285 -7.313 -16.324 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.866 -8.762 -12.354 1.00 0.00 H new ATOM 380 N ARG A 27 12.411 -11.501 -17.301 1.00 0.00 N ATOM 381 CA ARG A 27 13.035 -12.143 -18.437 1.00 0.00 C ATOM 382 C ARG A 27 12.033 -13.067 -19.097 1.00 0.00 C ATOM 383 O ARG A 27 11.280 -13.758 -18.410 1.00 0.00 O ATOM 384 CB ARG A 27 14.250 -12.941 -17.985 1.00 0.00 C ATOM 385 CG ARG A 27 15.381 -12.098 -17.419 1.00 0.00 C ATOM 386 CD ARG A 27 16.507 -12.981 -16.916 1.00 0.00 C ATOM 387 NE ARG A 27 17.590 -12.209 -16.303 1.00 0.00 N ATOM 388 CZ ARG A 27 17.786 -12.102 -14.980 1.00 0.00 C ATOM 389 NH1 ARG A 27 16.974 -12.729 -14.121 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.796 -11.376 -14.516 1.00 0.00 N ATOM 0 H ARG A 27 12.105 -12.140 -16.567 1.00 0.00 H new ATOM 0 HA ARG A 27 13.359 -11.383 -19.148 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.936 -13.660 -17.229 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.629 -13.514 -18.832 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.757 -11.422 -18.187 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.007 -11.478 -16.604 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.112 -13.689 -16.188 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.905 -13.565 -17.746 1.00 0.00 H new ATOM 0 HE ARG A 27 18.237 -11.721 -16.922 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.199 -13.293 -14.471 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.130 -12.643 -13.117 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.422 -10.900 -15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.946 -11.294 -13.510 1.00 0.00 H new ATOM 404 N PHE A 28 12.012 -13.068 -20.419 1.00 0.00 N ATOM 405 CA PHE A 28 11.071 -13.895 -21.172 1.00 0.00 C ATOM 406 C PHE A 28 11.751 -14.507 -22.388 1.00 0.00 C ATOM 407 O PHE A 28 12.879 -14.147 -22.727 1.00 0.00 O ATOM 408 CB PHE A 28 9.857 -13.080 -21.641 1.00 0.00 C ATOM 409 CG PHE A 28 9.034 -12.462 -20.544 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.085 -13.207 -19.874 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.209 -11.136 -20.186 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.318 -12.649 -18.869 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.448 -10.569 -19.183 1.00 0.00 C ATOM 414 CZ PHE A 28 7.500 -11.327 -18.522 1.00 0.00 C ATOM 0 H PHE A 28 12.635 -12.506 -20.998 1.00 0.00 H new ATOM 0 HA PHE A 28 10.730 -14.684 -20.502 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.206 -12.286 -22.301 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.213 -13.728 -22.235 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.939 -14.244 -20.140 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.949 -10.538 -20.697 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.578 -13.247 -18.357 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.594 -9.533 -18.915 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.904 -10.886 -17.737 1.00 0.00 H new ATOM 424 N CYS A 29 11.088 -15.457 -23.015 1.00 0.00 N ATOM 425 CA CYS A 29 11.530 -15.963 -24.300 1.00 0.00 C ATOM 426 C CYS A 29 10.942 -15.059 -25.385 1.00 0.00 C ATOM 427 O CYS A 29 9.838 -14.537 -25.212 1.00 0.00 O ATOM 428 CB CYS A 29 11.029 -17.379 -24.493 1.00 0.00 C ATOM 429 SG CYS A 29 11.394 -18.503 -23.113 1.00 0.00 S ATOM 0 H CYS A 29 10.240 -15.895 -22.656 1.00 0.00 H new ATOM 0 HA CYS A 29 12.619 -15.968 -24.353 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.950 -17.351 -24.647 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.470 -17.786 -25.403 1.00 0.00 H new ATOM 0 HG CYS A 29 10.921 -19.684 -23.379 1.00 0.00 H new ATOM 434 N LYS A 30 11.643 -14.887 -26.497 1.00 0.00 N ATOM 435 CA LYS A 30 11.232 -13.895 -27.495 1.00 0.00 C ATOM 436 C LYS A 30 9.951 -14.321 -28.237 1.00 0.00 C ATOM 437 O LYS A 30 9.314 -13.517 -28.898 1.00 0.00 O ATOM 438 CB LYS A 30 12.359 -13.590 -28.493 1.00 0.00 C ATOM 439 CG LYS A 30 12.052 -12.411 -29.417 1.00 0.00 C ATOM 440 CD LYS A 30 13.203 -12.110 -30.358 1.00 0.00 C ATOM 441 CE LYS A 30 12.877 -10.913 -31.240 1.00 0.00 C ATOM 442 NZ LYS A 30 13.955 -10.630 -32.203 1.00 0.00 N ATOM 0 H LYS A 30 12.486 -15.409 -26.734 1.00 0.00 H new ATOM 0 HA LYS A 30 11.010 -12.979 -26.948 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.275 -13.380 -27.941 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.547 -14.477 -29.098 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.156 -12.630 -29.999 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.834 -11.528 -28.817 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.107 -11.909 -29.783 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.408 -12.981 -30.980 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.949 -11.102 -31.779 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.710 -10.036 -30.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.694 -9.808 -32.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.835 -10.425 -31.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.098 -11.457 -32.817 1.00 0.00 H new ATOM 456 N ALA A 31 9.553 -15.567 -28.094 1.00 0.00 N ATOM 457 CA ALA A 31 8.369 -16.038 -28.793 1.00 0.00 C ATOM 458 C ALA A 31 7.270 -16.369 -27.804 1.00 0.00 C ATOM 459 O ALA A 31 6.131 -16.639 -28.187 1.00 0.00 O ATOM 460 CB ALA A 31 8.694 -17.239 -29.671 1.00 0.00 C ATOM 0 H ALA A 31 10.019 -16.263 -27.512 1.00 0.00 H new ATOM 0 HA ALA A 31 8.015 -15.239 -29.445 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.790 -17.571 -30.182 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.446 -16.958 -30.408 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.079 -18.049 -29.051 1.00 0.00 H new ATOM 466 N CYS A 32 7.607 -16.339 -26.527 1.00 0.00 N ATOM 467 CA CYS A 32 6.603 -16.428 -25.498 1.00 0.00 C ATOM 468 C CYS A 32 6.055 -15.030 -25.213 1.00 0.00 C ATOM 469 O CYS A 32 4.846 -14.829 -25.164 1.00 0.00 O ATOM 470 CB CYS A 32 7.174 -17.043 -24.214 1.00 0.00 C ATOM 471 SG CYS A 32 8.002 -18.656 -24.432 1.00 0.00 S ATOM 0 H CYS A 32 8.564 -16.254 -26.185 1.00 0.00 H new ATOM 0 HA CYS A 32 5.801 -17.078 -25.847 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.886 -16.342 -23.779 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.364 -17.162 -23.495 1.00 0.00 H new ATOM 0 HG CYS A 32 8.104 -19.250 -23.280 1.00 0.00 H new ATOM 476 N ILE A 33 6.962 -14.055 -25.068 1.00 0.00 N ATOM 477 CA ILE A 33 6.552 -12.691 -24.725 1.00 0.00 C ATOM 478 C ILE A 33 5.770 -12.015 -25.855 1.00 0.00 C ATOM 479 O ILE A 33 4.735 -11.411 -25.612 1.00 0.00 O ATOM 480 CB ILE A 33 7.749 -11.798 -24.266 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.251 -10.456 -23.713 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.754 -11.571 -25.388 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.385 -10.589 -22.478 1.00 0.00 C ATOM 0 H ILE A 33 7.968 -14.183 -25.181 1.00 0.00 H new ATOM 0 HA ILE A 33 5.880 -12.794 -23.873 1.00 0.00 H new ATOM 0 HB ILE A 33 8.262 -12.336 -23.469 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.111 -9.829 -23.477 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.685 -9.941 -24.489 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.569 -10.945 -25.025 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.152 -12.530 -25.719 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.260 -11.075 -26.224 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.071 -9.600 -22.145 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.506 -11.189 -22.713 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.954 -11.075 -21.685 1.00 0.00 H new ATOM 495 N ILE A 34 6.229 -12.173 -27.088 1.00 0.00 N ATOM 496 CA ILE A 34 5.578 -11.532 -28.221 1.00 0.00 C ATOM 497 C ILE A 34 4.165 -12.047 -28.405 1.00 0.00 C ATOM 498 O ILE A 34 3.229 -11.273 -28.601 1.00 0.00 O ATOM 499 CB ILE A 34 6.405 -11.614 -29.537 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.676 -10.760 -29.400 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.584 -11.160 -30.742 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.643 -10.888 -30.557 1.00 0.00 C ATOM 0 H ILE A 34 7.045 -12.736 -27.329 1.00 0.00 H new ATOM 0 HA ILE A 34 5.519 -10.470 -27.981 1.00 0.00 H new ATOM 0 HB ILE A 34 6.683 -12.655 -29.704 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.387 -9.714 -29.298 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.190 -11.040 -28.480 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.192 -11.230 -31.644 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.706 -11.798 -30.846 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.267 -10.127 -30.598 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.510 -10.253 -30.378 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.966 -11.925 -30.649 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.150 -10.579 -31.479 1.00 0.00 H new ATOM 514 N LYS A 35 3.997 -13.346 -28.271 1.00 0.00 N ATOM 515 CA LYS A 35 2.716 -13.975 -28.514 1.00 0.00 C ATOM 516 C LYS A 35 1.777 -13.775 -27.310 1.00 0.00 C ATOM 517 O LYS A 35 0.617 -14.169 -27.342 1.00 0.00 O ATOM 518 CB LYS A 35 2.926 -15.471 -28.812 1.00 0.00 C ATOM 519 CG LYS A 35 1.656 -16.253 -29.120 1.00 0.00 C ATOM 520 CD LYS A 35 0.979 -15.739 -30.375 1.00 0.00 C ATOM 521 CE LYS A 35 -0.227 -16.589 -30.747 1.00 0.00 C ATOM 522 NZ LYS A 35 -1.308 -16.538 -29.724 1.00 0.00 N ATOM 0 H LYS A 35 4.737 -13.990 -27.993 1.00 0.00 H new ATOM 0 HA LYS A 35 2.245 -13.509 -29.379 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.606 -15.565 -29.659 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.418 -15.931 -27.955 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.898 -17.309 -29.242 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.968 -16.179 -28.278 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.665 -14.706 -30.223 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.692 -15.737 -31.199 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.623 -16.250 -31.704 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.091 -17.623 -30.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.159 -17.007 -30.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.992 -17.025 -28.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.528 -15.546 -29.501 1.00 0.00 H new ATOM 536 N SER A 36 2.273 -13.131 -26.273 1.00 0.00 N ATOM 537 CA SER A 36 1.457 -12.832 -25.123 1.00 0.00 C ATOM 538 C SER A 36 1.107 -11.337 -25.103 1.00 0.00 C ATOM 539 O SER A 36 0.067 -10.944 -24.576 1.00 0.00 O ATOM 540 CB SER A 36 2.196 -13.232 -23.833 1.00 0.00 C ATOM 541 OG SER A 36 1.343 -13.176 -22.696 1.00 0.00 O ATOM 0 H SER A 36 3.238 -12.806 -26.207 1.00 0.00 H new ATOM 0 HA SER A 36 0.532 -13.405 -25.183 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.593 -14.241 -23.940 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.048 -12.569 -23.681 1.00 0.00 H new ATOM 0 HG SER A 36 1.846 -13.438 -21.897 1.00 0.00 H new ATOM 547 N ILE A 37 1.949 -10.504 -25.727 1.00 0.00 N ATOM 548 CA ILE A 37 1.736 -9.059 -25.667 1.00 0.00 C ATOM 549 C ILE A 37 1.154 -8.483 -26.951 1.00 0.00 C ATOM 550 O ILE A 37 0.645 -7.372 -26.953 1.00 0.00 O ATOM 551 CB ILE A 37 3.016 -8.282 -25.267 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.160 -8.533 -26.259 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.428 -8.632 -23.846 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.406 -7.712 -25.987 1.00 0.00 C ATOM 0 H ILE A 37 2.764 -10.799 -26.266 1.00 0.00 H new ATOM 0 HA ILE A 37 0.995 -8.922 -24.880 1.00 0.00 H new ATOM 0 HB ILE A 37 2.789 -7.216 -25.303 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.422 -9.591 -26.235 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.807 -8.315 -27.267 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.328 -8.078 -23.581 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.624 -8.368 -23.159 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.627 -9.701 -23.778 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.167 -7.948 -26.731 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.162 -6.651 -26.041 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.786 -7.947 -24.993 1.00 0.00 H new ATOM 566 N ARG A 38 1.201 -9.227 -28.038 1.00 0.00 N ATOM 567 CA ARG A 38 0.535 -8.766 -29.254 1.00 0.00 C ATOM 568 C ARG A 38 -0.817 -9.439 -29.369 1.00 0.00 C ATOM 569 O ARG A 38 -1.560 -9.226 -30.330 1.00 0.00 O ATOM 570 CB ARG A 38 1.362 -9.039 -30.512 1.00 0.00 C ATOM 571 CG ARG A 38 1.471 -10.505 -30.900 1.00 0.00 C ATOM 572 CD ARG A 38 2.280 -10.685 -32.175 1.00 0.00 C ATOM 573 NE ARG A 38 1.628 -10.086 -33.337 1.00 0.00 N ATOM 574 CZ ARG A 38 2.136 -10.067 -34.568 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.312 -10.631 -34.823 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.462 -9.484 -35.549 1.00 0.00 N ATOM 0 H ARG A 38 1.676 -10.127 -28.112 1.00 0.00 H new ATOM 0 HA ARG A 38 0.416 -7.685 -29.178 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.923 -8.489 -31.344 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.366 -8.642 -30.363 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.939 -11.063 -30.089 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.473 -10.921 -31.039 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.265 -10.237 -32.043 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.435 -11.749 -32.357 1.00 0.00 H new ATOM 0 HE ARG A 38 0.717 -9.650 -33.195 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.834 -11.084 -34.073 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.693 -10.611 -35.769 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.558 -9.052 -35.360 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.848 -9.467 -36.493 1.00 0.00 H new ATOM 590 N ASP A 39 -1.142 -10.227 -28.359 1.00 0.00 N ATOM 591 CA ASP A 39 -2.321 -11.064 -28.407 1.00 0.00 C ATOM 592 C ASP A 39 -3.317 -10.622 -27.350 1.00 0.00 C ATOM 593 O ASP A 39 -4.480 -10.378 -27.651 1.00 0.00 O ATOM 594 CB ASP A 39 -1.922 -12.521 -28.168 1.00 0.00 C ATOM 595 CG ASP A 39 -2.954 -13.510 -28.661 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.060 -13.593 -28.082 1.00 0.00 O ATOM 597 OD2 ASP A 39 -2.654 -14.226 -29.647 1.00 0.00 O ATOM 0 H ASP A 39 -0.603 -10.303 -27.496 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.786 -10.972 -29.388 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.973 -12.717 -28.667 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.760 -12.676 -27.101 1.00 0.00 H new ATOM 602 N ALA A 40 -2.860 -10.509 -26.111 1.00 0.00 N ATOM 603 CA ALA A 40 -3.710 -10.004 -25.049 1.00 0.00 C ATOM 604 C ALA A 40 -3.576 -8.498 -24.942 1.00 0.00 C ATOM 605 O ALA A 40 -4.514 -7.758 -25.245 1.00 0.00 O ATOM 606 CB ALA A 40 -3.385 -10.668 -23.722 1.00 0.00 C ATOM 0 H ALA A 40 -1.914 -10.758 -25.821 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.744 -10.247 -25.296 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.038 -10.269 -22.946 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.537 -11.744 -23.807 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.346 -10.468 -23.460 1.00 0.00 H new ATOM 612 N GLY A 41 -2.418 -8.054 -24.513 1.00 0.00 N ATOM 613 CA GLY A 41 -2.133 -6.646 -24.422 1.00 0.00 C ATOM 614 C GLY A 41 -0.669 -6.443 -24.170 1.00 0.00 C ATOM 615 O GLY A 41 0.019 -7.392 -23.807 1.00 0.00 O ATOM 0 H GLY A 41 -1.651 -8.658 -24.219 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.426 -6.145 -25.345 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.716 -6.198 -23.617 1.00 0.00 H new ATOM 619 N HIS A 42 -0.181 -5.235 -24.342 1.00 0.00 N ATOM 620 CA HIS A 42 1.238 -4.978 -24.162 1.00 0.00 C ATOM 621 C HIS A 42 1.565 -4.642 -22.710 1.00 0.00 C ATOM 622 O HIS A 42 1.684 -3.478 -22.323 1.00 0.00 O ATOM 623 CB HIS A 42 1.759 -3.904 -25.134 1.00 0.00 C ATOM 624 CG HIS A 42 1.890 -4.376 -26.558 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.922 -4.189 -27.518 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.909 -5.017 -27.184 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.329 -4.704 -28.661 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.532 -5.206 -28.490 1.00 0.00 N ATOM 0 H HIS A 42 -0.736 -4.420 -24.604 1.00 0.00 H new ATOM 0 HA HIS A 42 1.765 -5.900 -24.406 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.086 -3.047 -25.107 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.732 -3.556 -24.787 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.844 -5.322 -26.737 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.768 -4.712 -29.584 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.093 -5.661 -29.210 1.00 0.00 H new ATOM 637 N LYS A 43 1.672 -5.681 -21.910 1.00 0.00 N ATOM 638 CA LYS A 43 1.976 -5.564 -20.502 1.00 0.00 C ATOM 639 C LYS A 43 2.671 -6.829 -20.040 1.00 0.00 C ATOM 640 O LYS A 43 2.575 -7.862 -20.710 1.00 0.00 O ATOM 641 CB LYS A 43 0.691 -5.348 -19.695 1.00 0.00 C ATOM 642 CG LYS A 43 -0.270 -6.532 -19.730 1.00 0.00 C ATOM 643 CD LYS A 43 -1.512 -6.272 -18.900 1.00 0.00 C ATOM 644 CE LYS A 43 -2.370 -5.180 -19.518 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.599 -4.930 -18.734 1.00 0.00 N ATOM 0 H LYS A 43 1.548 -6.643 -22.225 1.00 0.00 H new ATOM 0 HA LYS A 43 2.629 -4.706 -20.344 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.956 -5.139 -18.659 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.178 -4.465 -20.077 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.558 -6.736 -20.761 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.236 -7.423 -19.358 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.094 -7.190 -18.814 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.223 -5.982 -17.890 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.791 -4.259 -19.587 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.640 -5.464 -20.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.155 -4.179 -19.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.165 -5.801 -18.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.342 -4.634 -17.771 1.00 0.00 H new ATOM 659 N CYS A 44 3.383 -6.748 -18.927 1.00 0.00 N ATOM 660 CA CYS A 44 3.951 -7.929 -18.330 1.00 0.00 C ATOM 661 C CYS A 44 2.801 -8.796 -17.823 1.00 0.00 C ATOM 662 O CYS A 44 1.948 -8.316 -17.073 1.00 0.00 O ATOM 663 CB CYS A 44 4.837 -7.570 -17.138 1.00 0.00 C ATOM 664 SG CYS A 44 5.986 -6.172 -17.369 1.00 0.00 S ATOM 0 H CYS A 44 3.576 -5.880 -18.428 1.00 0.00 H new ATOM 0 HA CYS A 44 4.556 -8.448 -19.073 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.192 -7.344 -16.289 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.421 -8.450 -16.869 1.00 0.00 H new ATOM 0 HG CYS A 44 6.546 -5.878 -16.233 1.00 0.00 H new ATOM 669 N PRO A 45 2.761 -10.073 -18.206 1.00 0.00 N ATOM 670 CA PRO A 45 1.690 -10.997 -17.790 1.00 0.00 C ATOM 671 C PRO A 45 1.669 -11.227 -16.275 1.00 0.00 C ATOM 672 O PRO A 45 0.654 -11.645 -15.716 1.00 0.00 O ATOM 673 CB PRO A 45 2.044 -12.300 -18.524 1.00 0.00 C ATOM 674 CG PRO A 45 3.500 -12.178 -18.811 1.00 0.00 C ATOM 675 CD PRO A 45 3.730 -10.729 -19.100 1.00 0.00 C ATOM 0 HA PRO A 45 0.701 -10.608 -18.030 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.832 -13.174 -17.908 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.466 -12.409 -19.441 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.097 -12.508 -17.961 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.786 -12.798 -19.661 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.754 -10.428 -18.880 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.545 -10.489 -20.147 1.00 0.00 H new ATOM 683 N VAL A 46 2.795 -10.955 -15.625 1.00 0.00 N ATOM 684 CA VAL A 46 2.925 -11.207 -14.205 1.00 0.00 C ATOM 685 C VAL A 46 2.478 -10.023 -13.326 1.00 0.00 C ATOM 686 O VAL A 46 1.531 -10.153 -12.552 1.00 0.00 O ATOM 687 CB VAL A 46 4.356 -11.692 -13.821 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.593 -13.079 -14.383 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.432 -10.741 -14.339 1.00 0.00 C ATOM 0 H VAL A 46 3.627 -10.560 -16.063 1.00 0.00 H new ATOM 0 HA VAL A 46 2.231 -12.021 -13.994 1.00 0.00 H new ATOM 0 HB VAL A 46 4.420 -11.713 -12.733 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.594 -13.415 -14.113 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.856 -13.769 -13.972 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.500 -13.052 -15.469 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.415 -11.113 -14.051 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.371 -10.680 -15.426 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.279 -9.751 -13.910 1.00 0.00 H new ATOM 699 N ASP A 47 3.126 -8.870 -13.460 1.00 0.00 N ATOM 700 CA ASP A 47 2.835 -7.741 -12.571 1.00 0.00 C ATOM 701 C ASP A 47 1.998 -6.695 -13.274 1.00 0.00 C ATOM 702 O ASP A 47 1.742 -5.625 -12.717 1.00 0.00 O ATOM 703 CB ASP A 47 4.134 -7.098 -12.057 1.00 0.00 C ATOM 704 CG ASP A 47 4.987 -6.494 -13.156 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.766 -6.779 -14.336 1.00 0.00 O ATOM 706 OD2 ASP A 47 5.899 -5.717 -12.865 1.00 0.00 O ATOM 0 H ASP A 47 3.844 -8.690 -14.161 1.00 0.00 H new ATOM 0 HA ASP A 47 2.272 -8.131 -11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.884 -6.322 -11.334 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.718 -7.851 -11.527 1.00 0.00 H new ATOM 711 N ASN A 48 1.584 -7.011 -14.499 1.00 0.00 N ATOM 712 CA ASN A 48 0.687 -6.171 -15.302 1.00 0.00 C ATOM 713 C ASN A 48 1.207 -4.748 -15.514 1.00 0.00 C ATOM 714 O ASN A 48 0.427 -3.798 -15.583 1.00 0.00 O ATOM 715 CB ASN A 48 -0.739 -6.167 -14.732 1.00 0.00 C ATOM 716 CG ASN A 48 -1.441 -7.492 -14.948 1.00 0.00 C ATOM 717 OD1 ASN A 48 -2.031 -7.728 -16.001 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.385 -8.367 -13.961 1.00 0.00 N ATOM 0 H ASN A 48 1.864 -7.870 -14.972 1.00 0.00 H new ATOM 0 HA ASN A 48 0.659 -6.628 -16.291 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.702 -5.946 -13.665 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.315 -5.371 -15.203 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.841 -9.274 -14.057 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.886 -8.136 -13.102 1.00 0.00 H new ATOM 725 N GLU A 49 2.505 -4.600 -15.632 1.00 0.00 N ATOM 726 CA GLU A 49 3.093 -3.307 -15.963 1.00 0.00 C ATOM 727 C GLU A 49 3.204 -3.181 -17.468 1.00 0.00 C ATOM 728 O GLU A 49 3.440 -4.168 -18.145 1.00 0.00 O ATOM 729 CB GLU A 49 4.462 -3.147 -15.304 1.00 0.00 C ATOM 730 CG GLU A 49 4.396 -3.043 -13.792 1.00 0.00 C ATOM 731 CD GLU A 49 3.681 -1.796 -13.332 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.168 -0.684 -13.630 1.00 0.00 O ATOM 733 OE2 GLU A 49 2.642 -1.910 -12.647 1.00 0.00 O ATOM 0 H GLU A 49 3.181 -5.353 -15.505 1.00 0.00 H new ATOM 0 HA GLU A 49 2.450 -2.514 -15.582 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.089 -3.997 -15.575 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.946 -2.255 -15.701 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.886 -3.919 -13.392 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.407 -3.050 -13.386 1.00 0.00 H new ATOM 740 N ILE A 50 3.032 -1.975 -17.990 1.00 0.00 N ATOM 741 CA ILE A 50 2.997 -1.777 -19.438 1.00 0.00 C ATOM 742 C ILE A 50 4.356 -2.097 -20.052 1.00 0.00 C ATOM 743 O ILE A 50 5.381 -1.520 -19.678 1.00 0.00 O ATOM 744 CB ILE A 50 2.569 -0.333 -19.810 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.167 -0.025 -19.254 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.595 -0.131 -21.326 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.073 -0.943 -19.775 1.00 0.00 C ATOM 0 H ILE A 50 2.915 -1.123 -17.441 1.00 0.00 H new ATOM 0 HA ILE A 50 2.251 -2.460 -19.844 1.00 0.00 H new ATOM 0 HB ILE A 50 3.282 0.358 -19.360 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.197 -0.095 -18.167 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.909 1.005 -19.501 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.291 0.889 -21.562 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.604 -0.305 -21.699 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.908 -0.833 -21.798 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.882 -0.658 -19.334 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.012 -0.857 -20.860 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.304 -1.974 -19.505 1.00 0.00 H new ATOM 759 N LEU A 51 4.357 -3.038 -20.967 1.00 0.00 N ATOM 760 CA LEU A 51 5.573 -3.516 -21.582 1.00 0.00 C ATOM 761 C LEU A 51 5.452 -3.442 -23.095 1.00 0.00 C ATOM 762 O LEU A 51 4.488 -3.930 -23.668 1.00 0.00 O ATOM 763 CB LEU A 51 5.842 -4.953 -21.119 1.00 0.00 C ATOM 764 CG LEU A 51 7.064 -5.652 -21.701 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.343 -4.905 -21.344 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.128 -7.090 -21.212 1.00 0.00 C ATOM 0 H LEU A 51 3.511 -3.495 -21.307 1.00 0.00 H new ATOM 0 HA LEU A 51 6.412 -2.889 -21.281 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.941 -4.946 -20.034 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.964 -5.554 -21.355 1.00 0.00 H new ATOM 0 HG LEU A 51 6.972 -5.656 -22.787 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.200 -5.425 -21.772 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.297 -3.892 -21.744 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.449 -4.862 -20.260 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.006 -7.579 -21.635 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.195 -7.102 -20.124 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.230 -7.621 -21.526 1.00 0.00 H new ATOM 778 N LEU A 52 6.433 -2.840 -23.736 1.00 0.00 N ATOM 779 CA LEU A 52 6.382 -2.624 -25.172 1.00 0.00 C ATOM 780 C LEU A 52 7.431 -3.473 -25.865 1.00 0.00 C ATOM 781 O LEU A 52 8.465 -3.789 -25.279 1.00 0.00 O ATOM 782 CB LEU A 52 6.594 -1.139 -25.533 1.00 0.00 C ATOM 783 CG LEU A 52 5.603 -0.104 -24.959 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.156 -0.499 -25.233 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.847 0.151 -23.476 1.00 0.00 C ATOM 0 H LEU A 52 7.279 -2.490 -23.286 1.00 0.00 H new ATOM 0 HA LEU A 52 5.389 -2.916 -25.514 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.596 -0.857 -25.210 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.574 -1.054 -26.619 1.00 0.00 H new ATOM 0 HG LEU A 52 5.784 0.837 -25.479 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.488 0.253 -24.814 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.995 -0.568 -26.309 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.949 -1.465 -24.772 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.129 0.885 -23.110 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.728 -0.780 -22.922 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.859 0.531 -23.334 1.00 0.00 H new ATOM 797 N GLU A 53 7.165 -3.828 -27.105 1.00 0.00 N ATOM 798 CA GLU A 53 8.050 -4.681 -27.899 1.00 0.00 C ATOM 799 C GLU A 53 9.384 -3.984 -28.180 1.00 0.00 C ATOM 800 O GLU A 53 10.443 -4.617 -28.217 1.00 0.00 O ATOM 801 CB GLU A 53 7.355 -5.060 -29.201 1.00 0.00 C ATOM 802 CG GLU A 53 6.151 -5.959 -28.997 1.00 0.00 C ATOM 803 CD GLU A 53 5.439 -6.285 -30.280 1.00 0.00 C ATOM 804 OE1 GLU A 53 6.014 -7.005 -31.116 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.289 -5.813 -30.471 1.00 0.00 O ATOM 0 H GLU A 53 6.324 -3.535 -27.602 1.00 0.00 H new ATOM 0 HA GLU A 53 8.267 -5.586 -27.331 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.039 -4.152 -29.714 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.069 -5.563 -29.853 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.472 -6.885 -28.520 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.454 -5.474 -28.314 1.00 0.00 H new ATOM 812 N ASN A 54 9.328 -2.682 -28.385 1.00 0.00 N ATOM 813 CA ASN A 54 10.529 -1.869 -28.586 1.00 0.00 C ATOM 814 C ASN A 54 11.393 -1.882 -27.339 1.00 0.00 C ATOM 815 O ASN A 54 12.614 -1.800 -27.418 1.00 0.00 O ATOM 816 CB ASN A 54 10.154 -0.423 -28.921 1.00 0.00 C ATOM 817 CG ASN A 54 9.546 -0.262 -30.298 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.854 -1.004 -31.227 1.00 0.00 O ATOM 819 ND2 ASN A 54 8.644 0.691 -30.428 1.00 0.00 N ATOM 0 H ASN A 54 8.457 -2.153 -28.418 1.00 0.00 H new ATOM 0 HA ASN A 54 11.087 -2.297 -29.419 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.448 -0.057 -28.175 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.045 0.201 -28.850 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.176 0.831 -31.323 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.414 1.288 -29.633 1.00 0.00 H new ATOM 826 N GLN A 55 10.744 -2.001 -26.191 1.00 0.00 N ATOM 827 CA GLN A 55 11.417 -1.939 -24.904 1.00 0.00 C ATOM 828 C GLN A 55 12.115 -3.250 -24.549 1.00 0.00 C ATOM 829 O GLN A 55 12.842 -3.318 -23.562 1.00 0.00 O ATOM 830 CB GLN A 55 10.435 -1.538 -23.800 1.00 0.00 C ATOM 831 CG GLN A 55 9.824 -0.156 -23.983 1.00 0.00 C ATOM 832 CD GLN A 55 10.852 0.952 -23.979 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.368 1.335 -25.028 1.00 0.00 O ATOM 834 NE2 GLN A 55 11.169 1.459 -22.810 1.00 0.00 N ATOM 0 H GLN A 55 9.736 -2.143 -26.126 1.00 0.00 H new ATOM 0 HA GLN A 55 12.190 -1.175 -24.986 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.633 -2.275 -23.757 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.951 -1.571 -22.840 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.274 -0.130 -24.924 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.102 0.024 -23.187 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.717 1.112 -21.964 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.868 2.200 -22.748 1.00 0.00 H new ATOM 843 N LEU A 56 11.876 -4.292 -25.338 1.00 0.00 N ATOM 844 CA LEU A 56 12.483 -5.589 -25.087 1.00 0.00 C ATOM 845 C LEU A 56 13.958 -5.546 -25.440 1.00 0.00 C ATOM 846 O LEU A 56 14.330 -5.065 -26.518 1.00 0.00 O ATOM 847 CB LEU A 56 11.785 -6.675 -25.928 1.00 0.00 C ATOM 848 CG LEU A 56 10.288 -6.888 -25.663 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.708 -7.908 -26.630 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.054 -7.331 -24.229 1.00 0.00 C ATOM 0 H LEU A 56 11.267 -4.261 -26.155 1.00 0.00 H new ATOM 0 HA LEU A 56 12.370 -5.829 -24.030 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.913 -6.426 -26.981 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.300 -7.621 -25.759 1.00 0.00 H new ATOM 0 HG LEU A 56 9.780 -5.936 -25.819 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.646 -8.043 -26.423 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.836 -7.554 -27.653 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.225 -8.860 -26.508 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.987 -7.476 -24.063 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.580 -8.268 -24.047 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.427 -6.567 -23.547 1.00 0.00 H new