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 -108:sc= 1.11 USER MOD Set 1.2: A 26 HIS : no HE2:sc= 0.556 K(o=2.5,f=-3.3) USER MOD Set 1.3: A 44 CYS SG : rot 96:sc= 0.806 USER MOD Set 2.1: A 9 CYS SG : rot -154:sc= 0.787 USER MOD Set 2.2: A 12 CYS SG : rot -71:sc= 0.736 USER MOD Set 2.3: A 14 MET CE :methyl -177:sc= -1.45 (180deg=-1.48) USER MOD Set 2.4: A 29 CYS SG : rot 76:sc= 1.49 USER MOD Set 2.5: A 32 CYS SG : rot 132:sc= -3.66! USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 22 THR OG1 : rot -67:sc= 1.57 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0506) USER MOD Single : A 36 SER OG : rot 78:sc= 1.32 USER MOD Single : A 42 HIS : no HD1:sc= 0.905 K(o=0.9,f=-5.7!) 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= -0.0207 K(o=-0.021,f=-1.2!) USER MOD Single : A 55 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 13.315 -17.931 -15.049 1.00 0.00 N ATOM 105 CA GLU A 8 12.259 -18.769 -15.529 1.00 0.00 C ATOM 106 C GLU A 8 11.237 -17.911 -16.228 1.00 0.00 C ATOM 107 O GLU A 8 10.729 -16.955 -15.647 1.00 0.00 O ATOM 108 CB GLU A 8 11.592 -19.468 -14.357 1.00 0.00 C ATOM 109 CG GLU A 8 10.472 -20.418 -14.734 1.00 0.00 C ATOM 110 CD GLU A 8 9.814 -21.002 -13.516 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.945 -20.320 -12.920 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.166 -22.136 -13.127 1.00 0.00 O ATOM 0 HA GLU A 8 12.665 -19.512 -16.216 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.350 -20.024 -13.805 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.195 -18.712 -13.680 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.730 -19.889 -15.332 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.868 -21.221 -15.356 1.00 0.00 H new ATOM 119 N CYS A 9 10.954 -18.230 -17.460 1.00 0.00 N ATOM 120 CA CYS A 9 9.888 -17.583 -18.176 1.00 0.00 C ATOM 121 C CYS A 9 8.578 -18.290 -17.823 1.00 0.00 C ATOM 122 O CYS A 9 8.346 -19.422 -18.251 1.00 0.00 O ATOM 123 CB CYS A 9 10.179 -17.672 -19.678 1.00 0.00 C ATOM 124 SG CYS A 9 8.859 -17.093 -20.806 1.00 0.00 S ATOM 0 H CYS A 9 11.452 -18.942 -17.995 1.00 0.00 H new ATOM 0 HA CYS A 9 9.807 -16.531 -17.903 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.081 -17.095 -19.885 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.402 -18.711 -19.920 1.00 0.00 H new ATOM 0 HG CYS A 9 8.970 -17.699 -21.951 1.00 0.00 H new ATOM 129 N PRO A 10 7.703 -17.643 -17.024 1.00 0.00 N ATOM 130 CA PRO A 10 6.470 -18.272 -16.535 1.00 0.00 C ATOM 131 C PRO A 10 5.466 -18.537 -17.653 1.00 0.00 C ATOM 132 O PRO A 10 4.539 -19.335 -17.497 1.00 0.00 O ATOM 133 CB PRO A 10 5.917 -17.251 -15.534 1.00 0.00 C ATOM 134 CG PRO A 10 6.479 -15.948 -15.978 1.00 0.00 C ATOM 135 CD PRO A 10 7.843 -16.256 -16.535 1.00 0.00 C ATOM 0 HA PRO A 10 6.660 -19.251 -16.096 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.827 -17.237 -15.544 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.224 -17.488 -14.515 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.844 -15.486 -16.734 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.546 -15.247 -15.146 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.114 -15.571 -17.339 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.617 -16.174 -15.772 1.00 0.00 H new ATOM 143 N ILE A 11 5.648 -17.859 -18.769 1.00 0.00 N ATOM 144 CA ILE A 11 4.778 -18.024 -19.915 1.00 0.00 C ATOM 145 C ILE A 11 4.909 -19.429 -20.516 1.00 0.00 C ATOM 146 O ILE A 11 3.910 -20.067 -20.855 1.00 0.00 O ATOM 147 CB ILE A 11 5.027 -16.930 -20.979 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.611 -15.565 -20.414 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.248 -17.231 -22.260 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.994 -14.389 -21.286 1.00 0.00 C ATOM 0 H ILE A 11 6.399 -17.182 -18.906 1.00 0.00 H new ATOM 0 HA ILE A 11 3.752 -17.909 -19.565 1.00 0.00 H new ATOM 0 HB ILE A 11 6.089 -16.913 -21.225 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.531 -15.559 -20.269 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.065 -15.437 -19.431 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.438 -16.448 -22.994 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.568 -18.192 -22.663 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.182 -17.268 -22.037 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.664 -13.464 -20.814 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.077 -14.366 -21.411 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.518 -14.489 -22.261 1.00 0.00 H new ATOM 162 N CYS A 12 6.137 -19.914 -20.644 1.00 0.00 N ATOM 163 CA CYS A 12 6.360 -21.237 -21.203 1.00 0.00 C ATOM 164 C CYS A 12 6.615 -22.264 -20.107 1.00 0.00 C ATOM 165 O CYS A 12 6.333 -23.454 -20.280 1.00 0.00 O ATOM 166 CB CYS A 12 7.540 -21.209 -22.172 1.00 0.00 C ATOM 167 SG CYS A 12 9.118 -20.668 -21.427 1.00 0.00 S ATOM 0 H CYS A 12 6.984 -19.416 -20.371 1.00 0.00 H new ATOM 0 HA CYS A 12 5.458 -21.529 -21.741 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.674 -22.206 -22.591 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.297 -20.545 -23.001 1.00 0.00 H new ATOM 0 HG CYS A 12 9.062 -19.395 -21.169 1.00 0.00 H new ATOM 172 N LEU A 13 7.147 -21.785 -18.980 1.00 0.00 N ATOM 173 CA LEU A 13 7.529 -22.621 -17.841 1.00 0.00 C ATOM 174 C LEU A 13 8.655 -23.590 -18.206 1.00 0.00 C ATOM 175 O LEU A 13 8.828 -24.622 -17.561 1.00 0.00 O ATOM 176 CB LEU A 13 6.318 -23.374 -17.256 1.00 0.00 C ATOM 177 CG LEU A 13 5.265 -22.514 -16.549 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.053 -23.354 -16.179 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.859 -21.871 -15.306 1.00 0.00 C ATOM 0 H LEU A 13 7.327 -20.792 -18.832 1.00 0.00 H new ATOM 0 HA LEU A 13 7.906 -21.952 -17.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.830 -23.918 -18.064 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.686 -24.117 -16.548 1.00 0.00 H new ATOM 0 HG LEU A 13 4.945 -21.727 -17.232 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.315 -22.727 -15.678 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.615 -23.778 -17.082 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.359 -24.159 -15.511 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.101 -21.263 -14.813 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.201 -22.648 -14.623 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.702 -21.240 -15.590 1.00 0.00 H new ATOM 191 N MET A 14 9.421 -23.254 -19.237 1.00 0.00 N ATOM 192 CA MET A 14 10.576 -24.067 -19.611 1.00 0.00 C ATOM 193 C MET A 14 11.833 -23.476 -18.987 1.00 0.00 C ATOM 194 O MET A 14 12.390 -24.014 -18.024 1.00 0.00 O ATOM 195 CB MET A 14 10.768 -24.081 -21.138 1.00 0.00 C ATOM 196 CG MET A 14 9.639 -24.697 -21.937 1.00 0.00 C ATOM 197 SD MET A 14 9.998 -24.743 -23.710 1.00 0.00 S ATOM 198 CE MET A 14 10.177 -22.992 -24.082 1.00 0.00 C ATOM 0 H MET A 14 9.268 -22.434 -19.824 1.00 0.00 H new ATOM 0 HA MET A 14 10.402 -25.083 -19.256 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.911 -23.055 -21.477 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.686 -24.622 -21.365 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.454 -25.710 -21.580 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.725 -24.128 -21.768 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.348 -22.863 -25.151 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.268 -22.464 -23.793 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.024 -22.587 -23.528 1.00 0.00 H new ATOM 208 N ALA A 15 12.226 -22.333 -19.524 1.00 0.00 N ATOM 209 CA ALA A 15 13.446 -21.634 -19.177 1.00 0.00 C ATOM 210 C ALA A 15 13.507 -20.401 -20.050 1.00 0.00 C ATOM 211 O ALA A 15 12.474 -19.962 -20.551 1.00 0.00 O ATOM 212 CB ALA A 15 14.657 -22.524 -19.449 1.00 0.00 C ATOM 0 H ALA A 15 11.682 -21.851 -20.240 1.00 0.00 H new ATOM 0 HA ALA A 15 13.456 -21.369 -18.120 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.569 -21.988 -19.185 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.583 -23.432 -18.851 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.685 -22.788 -20.506 1.00 0.00 H new ATOM 218 N LEU A 16 14.685 -19.848 -20.243 1.00 0.00 N ATOM 219 CA LEU A 16 14.828 -18.723 -21.140 1.00 0.00 C ATOM 220 C LEU A 16 15.337 -19.220 -22.481 1.00 0.00 C ATOM 221 O LEU A 16 16.512 -19.563 -22.622 1.00 0.00 O ATOM 222 CB LEU A 16 15.820 -17.717 -20.562 1.00 0.00 C ATOM 223 CG LEU A 16 15.470 -17.124 -19.201 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.571 -16.195 -18.730 1.00 0.00 C ATOM 225 CD2 LEU A 16 14.140 -16.389 -19.258 1.00 0.00 C ATOM 0 H LEU A 16 15.549 -20.155 -19.796 1.00 0.00 H new ATOM 0 HA LEU A 16 13.861 -18.236 -21.266 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.792 -18.203 -20.483 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.930 -16.898 -21.273 1.00 0.00 H new ATOM 0 HG LEU A 16 15.376 -17.941 -18.486 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.306 -15.780 -17.758 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.505 -16.751 -18.645 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.695 -15.385 -19.448 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.911 -15.975 -18.276 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.202 -15.581 -19.987 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.353 -17.084 -19.551 1.00 0.00 H new ATOM 237 N ARG A 17 14.453 -19.276 -23.460 1.00 0.00 N ATOM 238 CA ARG A 17 14.825 -19.730 -24.793 1.00 0.00 C ATOM 239 C ARG A 17 15.751 -18.723 -25.468 1.00 0.00 C ATOM 240 O ARG A 17 16.748 -19.092 -26.075 1.00 0.00 O ATOM 241 CB ARG A 17 13.571 -19.961 -25.650 1.00 0.00 C ATOM 242 CG ARG A 17 13.854 -20.500 -27.043 1.00 0.00 C ATOM 243 CD ARG A 17 14.449 -21.898 -26.988 1.00 0.00 C ATOM 244 NE ARG A 17 14.751 -22.403 -28.321 1.00 0.00 N ATOM 245 CZ ARG A 17 15.303 -23.587 -28.589 1.00 0.00 C ATOM 246 NH1 ARG A 17 15.631 -24.420 -27.604 1.00 0.00 N ATOM 247 NH2 ARG A 17 15.523 -23.935 -29.844 1.00 0.00 N ATOM 0 H ARG A 17 13.472 -19.014 -23.360 1.00 0.00 H new ATOM 0 HA ARG A 17 15.359 -20.675 -24.695 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.914 -20.658 -25.130 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.029 -19.020 -25.741 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.931 -20.519 -27.622 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.541 -19.831 -27.561 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.359 -21.884 -26.388 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.751 -22.572 -26.492 1.00 0.00 H new ATOM 0 HE ARG A 17 14.522 -21.803 -29.113 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.461 -24.155 -26.634 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.053 -25.323 -27.819 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.271 -23.300 -30.601 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.945 -24.839 -30.056 1.00 0.00 H new ATOM 261 N GLU A 18 15.411 -17.455 -25.343 1.00 0.00 N ATOM 262 CA GLU A 18 16.201 -16.382 -25.940 1.00 0.00 C ATOM 263 C GLU A 18 16.735 -15.426 -24.886 1.00 0.00 C ATOM 264 O GLU A 18 17.651 -14.654 -25.154 1.00 0.00 O ATOM 265 CB GLU A 18 15.351 -15.618 -26.948 1.00 0.00 C ATOM 266 CG GLU A 18 15.028 -16.396 -28.212 1.00 0.00 C ATOM 267 CD GLU A 18 16.247 -16.616 -29.073 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.868 -15.615 -29.494 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.587 -17.778 -29.358 1.00 0.00 O ATOM 0 H GLU A 18 14.589 -17.136 -24.831 1.00 0.00 H new ATOM 0 HA GLU A 18 17.055 -16.834 -26.444 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.418 -15.323 -26.469 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.872 -14.701 -27.223 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.597 -17.360 -27.943 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.273 -15.858 -28.785 1.00 0.00 H new ATOM 276 N ALA A 19 16.155 -15.501 -23.688 1.00 0.00 N ATOM 277 CA ALA A 19 16.491 -14.608 -22.579 1.00 0.00 C ATOM 278 C ALA A 19 16.378 -13.128 -22.969 1.00 0.00 C ATOM 279 O ALA A 19 17.371 -12.483 -23.314 1.00 0.00 O ATOM 280 CB ALA A 19 17.865 -14.927 -21.991 1.00 0.00 C ATOM 0 H ALA A 19 15.435 -16.186 -23.459 1.00 0.00 H new ATOM 0 HA ALA A 19 15.751 -14.788 -21.799 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.077 -14.242 -21.170 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.873 -15.952 -21.620 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.626 -14.815 -22.763 1.00 0.00 H new ATOM 286 N VAL A 20 15.164 -12.607 -22.945 1.00 0.00 N ATOM 287 CA VAL A 20 14.946 -11.207 -23.225 1.00 0.00 C ATOM 288 C VAL A 20 14.644 -10.442 -21.947 1.00 0.00 C ATOM 289 O VAL A 20 13.655 -10.703 -21.248 1.00 0.00 O ATOM 290 CB VAL A 20 13.865 -10.943 -24.317 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.313 -11.504 -25.656 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.510 -11.518 -23.933 1.00 0.00 C ATOM 0 H VAL A 20 14.317 -13.135 -22.734 1.00 0.00 H new ATOM 0 HA VAL A 20 15.879 -10.833 -23.646 1.00 0.00 H new ATOM 0 HB VAL A 20 13.750 -9.862 -24.401 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.546 -11.311 -26.406 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.245 -11.025 -25.958 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.470 -12.579 -25.566 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.789 -11.310 -24.724 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.598 -12.596 -23.797 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.171 -11.061 -23.003 1.00 0.00 H new ATOM 302 N GLN A 21 15.532 -9.545 -21.627 1.00 0.00 N ATOM 303 CA GLN A 21 15.431 -8.717 -20.458 1.00 0.00 C ATOM 304 C GLN A 21 14.500 -7.543 -20.748 1.00 0.00 C ATOM 305 O GLN A 21 14.655 -6.859 -21.756 1.00 0.00 O ATOM 306 CB GLN A 21 16.830 -8.229 -20.084 1.00 0.00 C ATOM 307 CG GLN A 21 16.916 -7.421 -18.804 1.00 0.00 C ATOM 308 CD GLN A 21 18.332 -6.950 -18.522 1.00 0.00 C ATOM 309 OE1 GLN A 21 19.312 -7.586 -18.938 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.458 -5.849 -17.814 1.00 0.00 N ATOM 0 H GLN A 21 16.367 -9.364 -22.185 1.00 0.00 H new ATOM 0 HA GLN A 21 15.017 -9.281 -19.622 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.486 -9.095 -19.992 1.00 0.00 H new ATOM 0 HB3 GLN A 21 17.216 -7.622 -20.903 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.254 -6.558 -18.875 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.562 -8.026 -17.969 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.628 -5.354 -17.489 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.386 -5.491 -17.589 1.00 0.00 H new ATOM 319 N THR A 22 13.533 -7.326 -19.890 1.00 0.00 N ATOM 320 CA THR A 22 12.608 -6.226 -20.068 1.00 0.00 C ATOM 321 C THR A 22 13.000 -5.072 -19.153 1.00 0.00 C ATOM 322 O THR A 22 13.619 -5.300 -18.112 1.00 0.00 O ATOM 323 CB THR A 22 11.160 -6.663 -19.752 1.00 0.00 C ATOM 324 OG1 THR A 22 11.085 -7.130 -18.405 1.00 0.00 O ATOM 325 CG2 THR A 22 10.716 -7.777 -20.688 1.00 0.00 C ATOM 0 H THR A 22 13.364 -7.895 -19.060 1.00 0.00 H new ATOM 0 HA THR A 22 12.654 -5.906 -21.109 1.00 0.00 H new ATOM 0 HB THR A 22 10.504 -5.803 -19.889 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.602 -7.958 -18.316 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.694 -8.069 -20.447 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.760 -7.425 -21.719 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.376 -8.636 -20.570 1.00 0.00 H new ATOM 333 N PRO A 23 12.638 -3.821 -19.507 1.00 0.00 N ATOM 334 CA PRO A 23 12.959 -2.638 -18.687 1.00 0.00 C ATOM 335 C PRO A 23 12.276 -2.685 -17.314 1.00 0.00 C ATOM 336 O PRO A 23 12.718 -2.043 -16.358 1.00 0.00 O ATOM 337 CB PRO A 23 12.410 -1.470 -19.516 1.00 0.00 C ATOM 338 CG PRO A 23 11.376 -2.083 -20.393 1.00 0.00 C ATOM 339 CD PRO A 23 11.895 -3.446 -20.730 1.00 0.00 C ATOM 0 HA PRO A 23 14.026 -2.563 -18.476 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.981 -0.698 -18.877 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.197 -0.996 -20.103 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.415 -2.144 -19.883 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.222 -1.488 -21.293 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.087 -4.146 -20.944 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.542 -3.428 -21.607 1.00 0.00 H new ATOM 347 N CYS A 24 11.206 -3.458 -17.232 1.00 0.00 N ATOM 348 CA CYS A 24 10.470 -3.642 -16.001 1.00 0.00 C ATOM 349 C CYS A 24 11.239 -4.570 -15.042 1.00 0.00 C ATOM 350 O CYS A 24 10.929 -4.651 -13.856 1.00 0.00 O ATOM 351 CB CYS A 24 9.069 -4.191 -16.301 1.00 0.00 C ATOM 352 SG CYS A 24 7.897 -4.136 -14.901 1.00 0.00 S ATOM 0 H CYS A 24 10.825 -3.976 -18.024 1.00 0.00 H new ATOM 0 HA CYS A 24 10.360 -2.676 -15.509 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.645 -3.627 -17.132 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.165 -5.225 -16.634 1.00 0.00 H new ATOM 0 HG CYS A 24 7.697 -5.341 -14.455 1.00 0.00 H new ATOM 357 N GLY A 25 12.238 -5.271 -15.567 1.00 0.00 N ATOM 358 CA GLY A 25 13.037 -6.146 -14.726 1.00 0.00 C ATOM 359 C GLY A 25 12.542 -7.577 -14.721 1.00 0.00 C ATOM 360 O GLY A 25 12.752 -8.317 -13.758 1.00 0.00 O ATOM 0 H GLY A 25 12.508 -5.251 -16.550 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.071 -6.126 -15.070 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.033 -5.763 -13.706 1.00 0.00 H new ATOM 364 N HIS A 26 11.871 -7.963 -15.786 1.00 0.00 N ATOM 365 CA HIS A 26 11.413 -9.340 -15.953 1.00 0.00 C ATOM 366 C HIS A 26 12.188 -9.931 -17.113 1.00 0.00 C ATOM 367 O HIS A 26 12.633 -9.189 -17.994 1.00 0.00 O ATOM 368 CB HIS A 26 9.920 -9.389 -16.289 1.00 0.00 C ATOM 369 CG HIS A 26 9.041 -8.638 -15.348 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.859 -8.986 -14.026 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.295 -7.535 -15.551 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.037 -8.121 -13.455 1.00 0.00 C ATOM 373 NE2 HIS A 26 7.679 -7.228 -14.363 1.00 0.00 N ATOM 0 H HIS A 26 11.626 -7.343 -16.558 1.00 0.00 H new ATOM 0 HA HIS A 26 11.572 -9.893 -15.028 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.775 -8.992 -17.294 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.601 -10.431 -16.309 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.290 -9.785 -13.561 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.199 -6.991 -16.479 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.714 -8.140 -12.425 1.00 0.00 H new ATOM 380 N ARG A 27 12.379 -11.223 -17.137 1.00 0.00 N ATOM 381 CA ARG A 27 13.168 -11.794 -18.201 1.00 0.00 C ATOM 382 C ARG A 27 12.405 -12.982 -18.800 1.00 0.00 C ATOM 383 O ARG A 27 12.045 -13.916 -18.088 1.00 0.00 O ATOM 384 CB ARG A 27 14.519 -12.201 -17.616 1.00 0.00 C ATOM 385 CG ARG A 27 15.634 -12.461 -18.608 1.00 0.00 C ATOM 386 CD ARG A 27 16.915 -12.782 -17.845 1.00 0.00 C ATOM 387 NE ARG A 27 17.225 -11.724 -16.861 1.00 0.00 N ATOM 388 CZ ARG A 27 18.319 -10.956 -16.831 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.318 -11.156 -17.673 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.419 -9.994 -15.928 1.00 0.00 N ATOM 0 H ARG A 27 12.012 -11.886 -16.454 1.00 0.00 H new ATOM 0 HA ARG A 27 13.345 -11.082 -19.007 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.846 -11.416 -16.933 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.375 -13.102 -17.020 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.369 -13.291 -19.263 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.783 -11.588 -19.243 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.808 -13.739 -17.334 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.743 -12.886 -18.546 1.00 0.00 H new ATOM 0 HE ARG A 27 16.533 -11.563 -16.129 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.262 -11.907 -18.361 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.144 -10.559 -17.635 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.664 -9.841 -15.260 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.251 -9.405 -15.900 1.00 0.00 H new ATOM 404 N PHE A 28 12.143 -12.922 -20.098 1.00 0.00 N ATOM 405 CA PHE A 28 11.290 -13.912 -20.773 1.00 0.00 C ATOM 406 C PHE A 28 11.972 -14.453 -22.024 1.00 0.00 C ATOM 407 O PHE A 28 13.162 -14.228 -22.244 1.00 0.00 O ATOM 408 CB PHE A 28 9.949 -13.281 -21.193 1.00 0.00 C ATOM 409 CG PHE A 28 9.092 -12.762 -20.074 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.279 -13.617 -19.349 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.081 -11.413 -19.765 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.475 -13.138 -18.336 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.281 -10.929 -18.750 1.00 0.00 C ATOM 414 CZ PHE A 28 7.476 -11.794 -18.035 1.00 0.00 C ATOM 0 H PHE A 28 12.508 -12.196 -20.715 1.00 0.00 H new ATOM 0 HA PHE A 28 11.115 -14.723 -20.066 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.155 -12.459 -21.879 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.377 -14.024 -21.748 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.274 -14.672 -19.580 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.705 -10.732 -20.324 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.845 -13.816 -17.779 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.284 -9.875 -18.515 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.848 -11.417 -17.241 1.00 0.00 H new ATOM 424 N CYS A 29 11.219 -15.186 -22.828 1.00 0.00 N ATOM 425 CA CYS A 29 11.689 -15.629 -24.124 1.00 0.00 C ATOM 426 C CYS A 29 11.133 -14.720 -25.213 1.00 0.00 C ATOM 427 O CYS A 29 10.068 -14.125 -25.046 1.00 0.00 O ATOM 428 CB CYS A 29 11.246 -17.053 -24.390 1.00 0.00 C ATOM 429 SG CYS A 29 11.664 -18.223 -23.065 1.00 0.00 S ATOM 0 H CYS A 29 10.272 -15.487 -22.600 1.00 0.00 H new ATOM 0 HA CYS A 29 12.778 -15.587 -24.129 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.167 -17.063 -24.541 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.702 -17.396 -25.319 1.00 0.00 H new ATOM 0 HG CYS A 29 10.845 -18.061 -22.069 1.00 0.00 H new ATOM 434 N LYS A 30 11.832 -14.663 -26.335 1.00 0.00 N ATOM 435 CA LYS A 30 11.483 -13.782 -27.457 1.00 0.00 C ATOM 436 C LYS A 30 10.176 -14.219 -28.135 1.00 0.00 C ATOM 437 O LYS A 30 9.592 -13.480 -28.914 1.00 0.00 O ATOM 438 CB LYS A 30 12.621 -13.794 -28.482 1.00 0.00 C ATOM 439 CG LYS A 30 12.435 -12.873 -29.677 1.00 0.00 C ATOM 440 CD LYS A 30 13.612 -12.985 -30.617 1.00 0.00 C ATOM 441 CE LYS A 30 13.465 -12.067 -31.810 1.00 0.00 C ATOM 442 NZ LYS A 30 14.632 -12.167 -32.711 1.00 0.00 N ATOM 0 H LYS A 30 12.665 -15.228 -26.502 1.00 0.00 H new ATOM 0 HA LYS A 30 11.337 -12.775 -27.066 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.546 -13.520 -27.975 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.747 -14.813 -28.847 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.516 -13.131 -30.203 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.330 -11.843 -29.337 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.530 -12.742 -30.082 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.707 -14.015 -30.960 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.557 -12.321 -32.357 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.354 -11.038 -31.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.502 -11.526 -33.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.494 -11.901 -32.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.722 -13.144 -33.055 1.00 0.00 H new ATOM 456 N ALA A 31 9.706 -15.400 -27.821 1.00 0.00 N ATOM 457 CA ALA A 31 8.514 -15.903 -28.475 1.00 0.00 C ATOM 458 C ALA A 31 7.385 -16.032 -27.480 1.00 0.00 C ATOM 459 O ALA A 31 6.210 -15.965 -27.847 1.00 0.00 O ATOM 460 CB ALA A 31 8.805 -17.246 -29.129 1.00 0.00 C ATOM 0 H ALA A 31 10.119 -16.026 -27.129 1.00 0.00 H new ATOM 0 HA ALA A 31 8.212 -15.197 -29.248 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.904 -17.616 -29.618 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.596 -17.126 -29.869 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.124 -17.959 -28.369 1.00 0.00 H new ATOM 466 N CYS A 32 7.740 -16.172 -26.219 1.00 0.00 N ATOM 467 CA CYS A 32 6.756 -16.300 -25.176 1.00 0.00 C ATOM 468 C CYS A 32 6.128 -14.951 -24.837 1.00 0.00 C ATOM 469 O CYS A 32 4.902 -14.816 -24.823 1.00 0.00 O ATOM 470 CB CYS A 32 7.395 -16.904 -23.933 1.00 0.00 C ATOM 471 SG CYS A 32 8.287 -18.460 -24.227 1.00 0.00 S ATOM 0 H CYS A 32 8.707 -16.199 -25.896 1.00 0.00 H new ATOM 0 HA CYS A 32 5.965 -16.959 -25.535 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.087 -16.178 -23.506 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.618 -17.080 -23.189 1.00 0.00 H new ATOM 0 HG CYS A 32 9.459 -18.400 -23.668 1.00 0.00 H new ATOM 476 N ILE A 33 6.962 -13.949 -24.578 1.00 0.00 N ATOM 477 CA ILE A 33 6.452 -12.645 -24.184 1.00 0.00 C ATOM 478 C ILE A 33 5.723 -11.949 -25.332 1.00 0.00 C ATOM 479 O ILE A 33 4.648 -11.398 -25.138 1.00 0.00 O ATOM 480 CB ILE A 33 7.547 -11.723 -23.560 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.931 -10.443 -22.976 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.643 -11.381 -24.558 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.963 -10.679 -21.830 1.00 0.00 C ATOM 0 H ILE A 33 7.978 -14.014 -24.633 1.00 0.00 H new ATOM 0 HA ILE A 33 5.724 -12.834 -23.395 1.00 0.00 H new ATOM 0 HB ILE A 33 8.006 -12.286 -22.747 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.734 -9.793 -22.629 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.410 -9.909 -23.771 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.382 -10.738 -24.080 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.125 -12.298 -24.898 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.208 -10.862 -25.412 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.576 -9.723 -21.478 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.137 -11.301 -22.174 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.481 -11.183 -21.014 1.00 0.00 H new ATOM 495 N ILE A 34 6.276 -12.043 -26.539 1.00 0.00 N ATOM 496 CA ILE A 34 5.706 -11.360 -27.692 1.00 0.00 C ATOM 497 C ILE A 34 4.306 -11.868 -28.019 1.00 0.00 C ATOM 498 O ILE A 34 3.391 -11.082 -28.242 1.00 0.00 O ATOM 499 CB ILE A 34 6.631 -11.398 -28.942 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.887 -10.560 -28.683 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.905 -10.893 -30.183 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.919 -10.620 -29.793 1.00 0.00 C ATOM 0 H ILE A 34 7.116 -12.585 -26.741 1.00 0.00 H new ATOM 0 HA ILE A 34 5.620 -10.312 -27.405 1.00 0.00 H new ATOM 0 HB ILE A 34 6.919 -12.433 -29.124 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.592 -9.521 -28.533 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.349 -10.897 -27.755 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.578 -10.932 -31.039 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.035 -11.521 -30.376 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.582 -9.865 -30.022 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.775 -9.999 -29.528 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.247 -11.650 -29.930 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.478 -10.254 -30.720 1.00 0.00 H new ATOM 514 N LYS A 35 4.117 -13.175 -27.979 1.00 0.00 N ATOM 515 CA LYS A 35 2.827 -13.741 -28.345 1.00 0.00 C ATOM 516 C LYS A 35 1.832 -13.614 -27.177 1.00 0.00 C ATOM 517 O LYS A 35 0.662 -13.960 -27.298 1.00 0.00 O ATOM 518 CB LYS A 35 2.992 -15.208 -28.795 1.00 0.00 C ATOM 519 CG LYS A 35 1.706 -15.886 -29.271 1.00 0.00 C ATOM 520 CD LYS A 35 1.145 -15.209 -30.516 1.00 0.00 C ATOM 521 CE LYS A 35 -0.203 -15.795 -30.918 1.00 0.00 C ATOM 522 NZ LYS A 35 -0.115 -17.230 -31.269 1.00 0.00 N ATOM 0 H LYS A 35 4.825 -13.855 -27.702 1.00 0.00 H new ATOM 0 HA LYS A 35 2.421 -13.180 -29.186 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.724 -15.245 -29.601 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.403 -15.783 -27.965 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.905 -16.936 -29.485 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.963 -15.858 -28.474 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.037 -14.140 -30.331 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.850 -15.320 -31.340 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.910 -15.667 -30.098 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.598 -15.240 -31.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.038 -17.560 -31.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.601 -17.363 -32.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.154 -17.778 -30.427 1.00 0.00 H new ATOM 536 N SER A 36 2.296 -13.076 -26.067 1.00 0.00 N ATOM 537 CA SER A 36 1.435 -12.847 -24.928 1.00 0.00 C ATOM 538 C SER A 36 1.124 -11.355 -24.776 1.00 0.00 C ATOM 539 O SER A 36 0.285 -10.966 -23.966 1.00 0.00 O ATOM 540 CB SER A 36 2.095 -13.380 -23.658 1.00 0.00 C ATOM 541 OG SER A 36 2.422 -14.764 -23.796 1.00 0.00 O ATOM 0 H SER A 36 3.265 -12.790 -25.931 1.00 0.00 H new ATOM 0 HA SER A 36 0.497 -13.378 -25.091 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.998 -12.808 -23.445 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.424 -13.243 -22.810 1.00 0.00 H new ATOM 0 HG SER A 36 3.231 -14.856 -24.341 1.00 0.00 H new ATOM 547 N ILE A 37 1.809 -10.517 -25.554 1.00 0.00 N ATOM 548 CA ILE A 37 1.580 -9.078 -25.476 1.00 0.00 C ATOM 549 C ILE A 37 1.050 -8.483 -26.779 1.00 0.00 C ATOM 550 O ILE A 37 0.674 -7.311 -26.820 1.00 0.00 O ATOM 551 CB ILE A 37 2.843 -8.303 -25.032 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.997 -8.521 -26.017 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.249 -8.692 -23.618 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.235 -7.703 -25.707 1.00 0.00 C ATOM 0 H ILE A 37 2.514 -10.804 -26.233 1.00 0.00 H new ATOM 0 HA ILE A 37 0.810 -8.960 -24.714 1.00 0.00 H new ATOM 0 HB ILE A 37 2.603 -7.240 -25.032 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.264 -9.578 -26.020 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.654 -8.276 -27.022 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.139 -8.134 -23.329 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.436 -8.461 -22.930 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.463 -9.760 -23.582 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.005 -7.913 -26.449 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.986 -6.642 -25.733 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.605 -7.964 -24.716 1.00 0.00 H new ATOM 566 N ARG A 38 1.020 -9.268 -27.842 1.00 0.00 N ATOM 567 CA ARG A 38 0.625 -8.714 -29.132 1.00 0.00 C ATOM 568 C ARG A 38 -0.858 -8.896 -29.420 1.00 0.00 C ATOM 569 O ARG A 38 -1.400 -8.244 -30.310 1.00 0.00 O ATOM 570 CB ARG A 38 1.492 -9.257 -30.275 1.00 0.00 C ATOM 571 CG ARG A 38 1.345 -10.743 -30.554 1.00 0.00 C ATOM 572 CD ARG A 38 2.318 -11.186 -31.637 1.00 0.00 C ATOM 573 NE ARG A 38 2.055 -10.530 -32.919 1.00 0.00 N ATOM 574 CZ ARG A 38 2.999 -10.027 -33.726 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.288 -10.140 -33.405 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.657 -9.421 -34.853 1.00 0.00 N ATOM 0 H ARG A 38 1.256 -10.260 -27.845 1.00 0.00 H new ATOM 0 HA ARG A 38 0.799 -7.640 -29.069 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.250 -8.708 -31.185 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.537 -9.049 -30.046 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.527 -11.309 -29.641 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.323 -10.960 -30.865 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.337 -10.965 -31.320 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.251 -12.267 -31.763 1.00 0.00 H new ATOM 0 HE ARG A 38 1.084 -10.450 -33.219 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.559 -10.611 -32.542 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.003 -9.755 -34.023 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.673 -9.336 -35.108 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.378 -9.039 -35.466 1.00 0.00 H new ATOM 590 N ASP A 39 -1.518 -9.767 -28.670 1.00 0.00 N ATOM 591 CA ASP A 39 -2.951 -9.960 -28.858 1.00 0.00 C ATOM 592 C ASP A 39 -3.727 -9.556 -27.613 1.00 0.00 C ATOM 593 O ASP A 39 -4.729 -8.848 -27.698 1.00 0.00 O ATOM 594 CB ASP A 39 -3.281 -11.404 -29.255 1.00 0.00 C ATOM 595 CG ASP A 39 -4.748 -11.588 -29.591 1.00 0.00 C ATOM 596 OD1 ASP A 39 -5.181 -11.143 -30.675 1.00 0.00 O ATOM 597 OD2 ASP A 39 -5.488 -12.179 -28.777 1.00 0.00 O ATOM 0 H ASP A 39 -1.096 -10.341 -27.940 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.258 -9.312 -29.679 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.675 -11.689 -30.115 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.011 -12.074 -28.438 1.00 0.00 H new ATOM 602 N ALA A 40 -3.262 -10.006 -26.458 1.00 0.00 N ATOM 603 CA ALA A 40 -3.898 -9.662 -25.193 1.00 0.00 C ATOM 604 C ALA A 40 -3.725 -8.178 -24.901 1.00 0.00 C ATOM 605 O ALA A 40 -4.689 -7.413 -24.891 1.00 0.00 O ATOM 606 CB ALA A 40 -3.316 -10.502 -24.063 1.00 0.00 C ATOM 0 H ALA A 40 -2.446 -10.611 -26.369 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.964 -9.876 -25.268 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.800 -10.234 -23.124 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.486 -11.559 -24.271 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.245 -10.315 -23.985 1.00 0.00 H new ATOM 612 N GLY A 41 -2.496 -7.778 -24.682 1.00 0.00 N ATOM 613 CA GLY A 41 -2.191 -6.397 -24.446 1.00 0.00 C ATOM 614 C GLY A 41 -0.731 -6.235 -24.166 1.00 0.00 C ATOM 615 O GLY A 41 -0.069 -7.201 -23.784 1.00 0.00 O ATOM 0 H GLY A 41 -1.687 -8.399 -24.663 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.471 -5.801 -25.314 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.774 -6.026 -23.603 1.00 0.00 H new ATOM 619 N HIS A 42 -0.218 -5.037 -24.326 1.00 0.00 N ATOM 620 CA HIS A 42 1.196 -4.813 -24.128 1.00 0.00 C ATOM 621 C HIS A 42 1.511 -4.536 -22.675 1.00 0.00 C ATOM 622 O HIS A 42 1.689 -3.386 -22.264 1.00 0.00 O ATOM 623 CB HIS A 42 1.748 -3.723 -25.060 1.00 0.00 C ATOM 624 CG HIS A 42 1.889 -4.169 -26.487 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.909 -3.995 -27.436 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.911 -4.792 -27.124 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.317 -4.488 -28.586 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.526 -4.976 -28.424 1.00 0.00 N ATOM 0 H HIS A 42 -0.752 -4.209 -24.590 1.00 0.00 H new ATOM 0 HA HIS A 42 1.710 -5.735 -24.400 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.089 -2.856 -25.022 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.721 -3.400 -24.691 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.853 -5.088 -26.687 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.753 -4.491 -29.507 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.087 -5.421 -29.150 1.00 0.00 H new ATOM 637 N LYS A 43 1.531 -5.603 -21.895 1.00 0.00 N ATOM 638 CA LYS A 43 1.859 -5.533 -20.492 1.00 0.00 C ATOM 639 C LYS A 43 2.501 -6.833 -20.037 1.00 0.00 C ATOM 640 O LYS A 43 2.194 -7.905 -20.580 1.00 0.00 O ATOM 641 CB LYS A 43 0.591 -5.241 -19.662 1.00 0.00 C ATOM 642 CG LYS A 43 -0.465 -6.346 -19.701 1.00 0.00 C ATOM 643 CD LYS A 43 -1.673 -5.999 -18.839 1.00 0.00 C ATOM 644 CE LYS A 43 -2.435 -4.820 -19.413 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.623 -4.463 -18.603 1.00 0.00 N ATOM 0 H LYS A 43 1.318 -6.545 -22.224 1.00 0.00 H new ATOM 0 HA LYS A 43 2.570 -4.721 -20.338 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.882 -5.072 -18.625 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.142 -4.315 -20.022 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.786 -6.507 -20.730 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.026 -7.282 -19.354 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.334 -6.863 -18.769 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.345 -5.765 -17.826 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.770 -3.958 -19.477 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.750 -5.055 -20.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.108 -3.652 -19.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.272 -5.274 -18.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.323 -4.211 -17.639 1.00 0.00 H new ATOM 659 N CYS A 44 3.389 -6.748 -19.062 1.00 0.00 N ATOM 660 CA CYS A 44 3.940 -7.936 -18.465 1.00 0.00 C ATOM 661 C CYS A 44 2.937 -8.501 -17.464 1.00 0.00 C ATOM 662 O CYS A 44 2.518 -7.811 -16.546 1.00 0.00 O ATOM 663 CB CYS A 44 5.322 -7.653 -17.837 1.00 0.00 C ATOM 664 SG CYS A 44 5.464 -6.062 -16.953 1.00 0.00 S ATOM 0 H CYS A 44 3.738 -5.872 -18.674 1.00 0.00 H new ATOM 0 HA CYS A 44 4.112 -8.691 -19.232 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.559 -8.459 -17.142 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.074 -7.680 -18.626 1.00 0.00 H new ATOM 0 HG CYS A 44 5.261 -6.252 -15.683 1.00 0.00 H new ATOM 669 N PRO A 45 2.543 -9.767 -17.635 1.00 0.00 N ATOM 670 CA PRO A 45 1.389 -10.353 -16.932 1.00 0.00 C ATOM 671 C PRO A 45 1.518 -10.410 -15.405 1.00 0.00 C ATOM 672 O PRO A 45 0.515 -10.381 -14.694 1.00 0.00 O ATOM 673 CB PRO A 45 1.291 -11.762 -17.520 1.00 0.00 C ATOM 674 CG PRO A 45 2.661 -12.054 -18.025 1.00 0.00 C ATOM 675 CD PRO A 45 3.188 -10.745 -18.533 1.00 0.00 C ATOM 0 HA PRO A 45 0.503 -9.735 -17.080 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.984 -12.486 -16.765 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.555 -11.806 -18.323 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.295 -12.451 -17.232 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.636 -12.801 -18.818 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.275 -10.695 -18.473 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.919 -10.577 -19.576 1.00 0.00 H new ATOM 683 N VAL A 46 2.737 -10.484 -14.910 1.00 0.00 N ATOM 684 CA VAL A 46 2.960 -10.646 -13.477 1.00 0.00 C ATOM 685 C VAL A 46 2.541 -9.416 -12.647 1.00 0.00 C ATOM 686 O VAL A 46 1.876 -9.554 -11.619 1.00 0.00 O ATOM 687 CB VAL A 46 4.414 -11.069 -13.156 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.663 -12.492 -13.629 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.402 -10.126 -13.817 1.00 0.00 C ATOM 0 H VAL A 46 3.588 -10.435 -15.470 1.00 0.00 H new ATOM 0 HA VAL A 46 2.301 -11.460 -13.174 1.00 0.00 H new ATOM 0 HB VAL A 46 4.555 -11.022 -12.076 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.689 -12.778 -13.398 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.975 -13.169 -13.123 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.504 -12.551 -14.706 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.419 -10.439 -13.580 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.258 -10.147 -14.897 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.240 -9.113 -13.449 1.00 0.00 H new ATOM 699 N ASP A 47 2.925 -8.227 -13.089 1.00 0.00 N ATOM 700 CA ASP A 47 2.591 -6.992 -12.367 1.00 0.00 C ATOM 701 C ASP A 47 1.748 -6.055 -13.231 1.00 0.00 C ATOM 702 O ASP A 47 1.418 -4.939 -12.820 1.00 0.00 O ATOM 703 CB ASP A 47 3.879 -6.277 -11.916 1.00 0.00 C ATOM 704 CG ASP A 47 4.812 -5.944 -13.075 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.632 -6.469 -14.180 1.00 0.00 O ATOM 706 OD2 ASP A 47 5.751 -5.165 -12.907 1.00 0.00 O ATOM 0 H ASP A 47 3.467 -8.084 -13.941 1.00 0.00 H new ATOM 0 HA ASP A 47 2.004 -7.264 -11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.614 -5.357 -11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.407 -6.908 -11.201 1.00 0.00 H new ATOM 711 N ASN A 48 1.393 -6.533 -14.413 1.00 0.00 N ATOM 712 CA ASN A 48 0.524 -5.823 -15.366 1.00 0.00 C ATOM 713 C ASN A 48 1.051 -4.433 -15.745 1.00 0.00 C ATOM 714 O ASN A 48 0.269 -3.515 -16.005 1.00 0.00 O ATOM 715 CB ASN A 48 -0.919 -5.740 -14.852 1.00 0.00 C ATOM 716 CG ASN A 48 -1.597 -7.094 -14.794 1.00 0.00 C ATOM 717 OD1 ASN A 48 -2.081 -7.607 -15.807 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.657 -7.676 -13.614 1.00 0.00 N ATOM 0 H ASN A 48 1.702 -7.444 -14.753 1.00 0.00 H new ATOM 0 HA ASN A 48 0.533 -6.417 -16.280 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.921 -5.294 -13.857 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.494 -5.078 -15.499 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.115 -8.582 -13.515 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.245 -7.221 -12.799 1.00 0.00 H new ATOM 725 N GLU A 49 2.364 -4.285 -15.810 1.00 0.00 N ATOM 726 CA GLU A 49 2.963 -3.020 -16.230 1.00 0.00 C ATOM 727 C GLU A 49 3.106 -2.997 -17.738 1.00 0.00 C ATOM 728 O GLU A 49 3.264 -4.042 -18.352 1.00 0.00 O ATOM 729 CB GLU A 49 4.324 -2.794 -15.561 1.00 0.00 C ATOM 730 CG GLU A 49 4.247 -2.563 -14.061 1.00 0.00 C ATOM 731 CD GLU A 49 3.475 -1.311 -13.706 1.00 0.00 C ATOM 732 OE1 GLU A 49 3.590 -0.300 -14.437 1.00 0.00 O ATOM 733 OE2 GLU A 49 2.740 -1.321 -12.695 1.00 0.00 O ATOM 0 H GLU A 49 3.035 -5.018 -15.580 1.00 0.00 H new ATOM 0 HA GLU A 49 2.304 -2.210 -15.917 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.959 -3.659 -15.752 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.807 -1.935 -16.026 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.774 -3.424 -13.588 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.256 -2.491 -13.656 1.00 0.00 H new ATOM 740 N ILE A 50 3.039 -1.819 -18.332 1.00 0.00 N ATOM 741 CA ILE A 50 3.074 -1.689 -19.782 1.00 0.00 C ATOM 742 C ILE A 50 4.432 -2.117 -20.325 1.00 0.00 C ATOM 743 O ILE A 50 5.474 -1.545 -19.975 1.00 0.00 O ATOM 744 CB ILE A 50 2.764 -0.234 -20.229 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.368 0.189 -19.755 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.880 -0.085 -21.747 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.236 -0.657 -20.307 1.00 0.00 C ATOM 0 H ILE A 50 2.960 -0.934 -17.832 1.00 0.00 H new ATOM 0 HA ILE A 50 2.303 -2.343 -20.188 1.00 0.00 H new ATOM 0 HB ILE A 50 3.503 0.422 -19.769 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.339 0.147 -18.666 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.201 1.228 -20.039 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.657 0.944 -22.030 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.893 -0.336 -22.061 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.172 -0.756 -22.234 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.715 -0.289 -19.921 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.234 -0.597 -21.395 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.374 -1.694 -20.002 1.00 0.00 H new ATOM 759 N LEU A 51 4.409 -3.112 -21.181 1.00 0.00 N ATOM 760 CA LEU A 51 5.609 -3.675 -21.744 1.00 0.00 C ATOM 761 C LEU A 51 5.512 -3.653 -23.267 1.00 0.00 C ATOM 762 O LEU A 51 4.583 -4.214 -23.850 1.00 0.00 O ATOM 763 CB LEU A 51 5.814 -5.106 -21.187 1.00 0.00 C ATOM 764 CG LEU A 51 7.158 -5.810 -21.469 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.211 -6.382 -22.873 1.00 0.00 C ATOM 766 CD2 LEU A 51 8.330 -4.867 -21.230 1.00 0.00 C ATOM 0 H LEU A 51 3.550 -3.555 -21.507 1.00 0.00 H new ATOM 0 HA LEU A 51 6.480 -3.084 -21.462 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.679 -5.066 -20.106 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.018 -5.736 -21.584 1.00 0.00 H new ATOM 0 HG LEU A 51 7.237 -6.643 -20.770 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.173 -6.869 -23.031 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.410 -7.111 -22.999 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.088 -5.578 -23.598 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.265 -5.389 -21.436 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.243 -4.004 -21.890 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.322 -4.533 -20.193 1.00 0.00 H new ATOM 778 N LEU A 52 6.459 -2.995 -23.906 1.00 0.00 N ATOM 779 CA LEU A 52 6.460 -2.867 -25.356 1.00 0.00 C ATOM 780 C LEU A 52 7.373 -3.905 -25.985 1.00 0.00 C ATOM 781 O LEU A 52 8.383 -4.285 -25.396 1.00 0.00 O ATOM 782 CB LEU A 52 6.905 -1.463 -25.803 1.00 0.00 C ATOM 783 CG LEU A 52 5.920 -0.302 -25.603 1.00 0.00 C ATOM 784 CD1 LEU A 52 5.739 0.030 -24.132 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.381 0.920 -26.367 1.00 0.00 C ATOM 0 H LEU A 52 7.244 -2.537 -23.443 1.00 0.00 H new ATOM 0 HA LEU A 52 5.436 -3.029 -25.692 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.824 -1.218 -25.271 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.154 -1.512 -26.863 1.00 0.00 H new ATOM 0 HG LEU A 52 4.952 -0.618 -25.993 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.035 0.856 -24.029 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.352 -0.843 -23.607 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.699 0.316 -23.703 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.672 1.733 -26.214 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.364 1.224 -26.008 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.439 0.684 -27.430 1.00 0.00 H new ATOM 797 N GLU A 53 7.018 -4.342 -27.187 1.00 0.00 N ATOM 798 CA GLU A 53 7.792 -5.335 -27.933 1.00 0.00 C ATOM 799 C GLU A 53 9.165 -4.773 -28.279 1.00 0.00 C ATOM 800 O GLU A 53 10.175 -5.455 -28.172 1.00 0.00 O ATOM 801 CB GLU A 53 7.044 -5.700 -29.216 1.00 0.00 C ATOM 802 CG GLU A 53 5.744 -6.450 -28.974 1.00 0.00 C ATOM 803 CD GLU A 53 4.959 -6.699 -30.240 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.422 -7.462 -31.098 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.865 -6.108 -30.387 1.00 0.00 O ATOM 0 H GLU A 53 6.183 -4.019 -27.676 1.00 0.00 H new ATOM 0 HA GLU A 53 7.921 -6.227 -27.320 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.829 -4.788 -29.772 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.694 -6.310 -29.844 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.966 -7.405 -28.497 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.128 -5.882 -28.277 1.00 0.00 H new ATOM 812 N ASN A 54 9.191 -3.515 -28.678 1.00 0.00 N ATOM 813 CA ASN A 54 10.438 -2.815 -28.997 1.00 0.00 C ATOM 814 C ASN A 54 11.321 -2.654 -27.765 1.00 0.00 C ATOM 815 O ASN A 54 12.540 -2.608 -27.863 1.00 0.00 O ATOM 816 CB ASN A 54 10.169 -1.457 -29.643 1.00 0.00 C ATOM 817 CG ASN A 54 9.620 -1.560 -31.054 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.849 -2.548 -31.753 1.00 0.00 O ATOM 819 ND2 ASN A 54 8.912 -0.540 -31.493 1.00 0.00 N ATOM 0 H ASN A 54 8.354 -2.944 -28.792 1.00 0.00 H new ATOM 0 HA ASN A 54 10.973 -3.433 -29.718 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.462 -0.903 -29.025 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.095 -0.882 -29.662 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.533 -0.552 -32.440 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.742 0.262 -30.886 1.00 0.00 H new ATOM 826 N GLN A 55 10.685 -2.568 -26.607 1.00 0.00 N ATOM 827 CA GLN A 55 11.376 -2.384 -25.334 1.00 0.00 C ATOM 828 C GLN A 55 12.087 -3.640 -24.847 1.00 0.00 C ATOM 829 O GLN A 55 12.791 -3.598 -23.849 1.00 0.00 O ATOM 830 CB GLN A 55 10.442 -1.830 -24.263 1.00 0.00 C ATOM 831 CG GLN A 55 10.034 -0.387 -24.499 1.00 0.00 C ATOM 832 CD GLN A 55 11.210 0.561 -24.390 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.897 0.834 -25.373 1.00 0.00 O ATOM 834 NE2 GLN A 55 11.448 1.066 -23.197 1.00 0.00 N ATOM 0 H GLN A 55 9.670 -2.624 -26.520 1.00 0.00 H new ATOM 0 HA GLN A 55 12.155 -1.645 -25.523 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.546 -2.449 -24.218 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.931 -1.906 -23.292 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.584 -0.295 -25.488 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.271 -0.103 -23.774 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.853 0.813 -22.408 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.227 1.710 -23.062 1.00 0.00 H new ATOM 843 N LEU A 56 11.875 -4.757 -25.522 1.00 0.00 N ATOM 844 CA LEU A 56 12.560 -5.987 -25.154 1.00 0.00 C ATOM 845 C LEU A 56 14.046 -5.853 -25.462 1.00 0.00 C ATOM 846 O LEU A 56 14.426 -5.356 -26.528 1.00 0.00 O ATOM 847 CB LEU A 56 12.000 -7.171 -25.946 1.00 0.00 C ATOM 848 CG LEU A 56 10.523 -7.501 -25.739 1.00 0.00 C ATOM 849 CD1 LEU A 56 10.108 -8.640 -26.650 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.256 -7.867 -24.292 1.00 0.00 C ATOM 0 H LEU A 56 11.243 -4.839 -26.318 1.00 0.00 H new ATOM 0 HA LEU A 56 12.408 -6.162 -24.089 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.159 -6.976 -27.007 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.584 -8.056 -25.693 1.00 0.00 H new ATOM 0 HG LEU A 56 9.935 -6.618 -25.987 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.053 -8.866 -26.493 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.266 -8.351 -27.689 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.706 -9.523 -26.424 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.199 -8.099 -24.164 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.854 -8.737 -24.021 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.524 -7.028 -23.649 1.00 0.00 H new