USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=13 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 -77:sc= 1.58 USER MOD Set 1.2: A 24 CYS SG : rot -171:sc= -1.16 USER MOD Set 1.3: A 26 HIS : no HE2:sc= -2.47 K(o=-2.7,f=0.69) USER MOD Set 1.4: A 44 CYS SG : rot 132:sc= -0.654! USER MOD Set 2.1: A 9 CYS SG : rot -151:sc= 1.04 USER MOD Set 2.2: A 12 CYS SG : rot -66:sc= -0.528 USER MOD Set 2.3: A 14 MET CE :methyl -121:sc= -0.84 (180deg=-1.56) USER MOD Set 2.4: A 29 CYS SG : rot 180:sc= 1.4 USER MOD Set 2.5: A 32 CYS SG : rot 132:sc= -2.45! USER MOD Single : A 21 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.0043) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0259) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= -0.0372 (180deg=-0.246) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 1.13 K(o=1.1,f=-3.6!) USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= -0.85 (180deg=-1.86!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 14.229 -18.695 -16.294 1.00 0.00 N ATOM 105 CA GLU A 8 12.888 -19.196 -16.450 1.00 0.00 C ATOM 106 C GLU A 8 11.981 -18.095 -16.980 1.00 0.00 C ATOM 107 O GLU A 8 11.959 -16.986 -16.441 1.00 0.00 O ATOM 108 CB GLU A 8 12.382 -19.637 -15.075 1.00 0.00 C ATOM 109 CG GLU A 8 10.958 -20.164 -15.042 1.00 0.00 C ATOM 110 CD GLU A 8 10.525 -20.503 -13.637 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.247 -19.565 -12.852 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.451 -21.702 -13.294 1.00 0.00 O ATOM 0 HA GLU A 8 12.883 -20.030 -17.152 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.047 -20.412 -14.694 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.454 -18.791 -14.392 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.283 -19.418 -15.461 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.883 -21.051 -15.671 1.00 0.00 H new ATOM 119 N CYS A 9 11.267 -18.399 -18.036 1.00 0.00 N ATOM 120 CA CYS A 9 10.247 -17.526 -18.565 1.00 0.00 C ATOM 121 C CYS A 9 8.918 -17.919 -17.944 1.00 0.00 C ATOM 122 O CYS A 9 8.426 -19.018 -18.186 1.00 0.00 O ATOM 123 CB CYS A 9 10.206 -17.684 -20.088 1.00 0.00 C ATOM 124 SG CYS A 9 8.775 -16.942 -20.953 1.00 0.00 S ATOM 0 H CYS A 9 11.379 -19.268 -18.558 1.00 0.00 H new ATOM 0 HA CYS A 9 10.457 -16.483 -18.329 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.116 -17.248 -20.500 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.229 -18.749 -20.320 1.00 0.00 H new ATOM 0 HG CYS A 9 8.527 -17.614 -22.038 1.00 0.00 H new ATOM 129 N PRO A 10 8.322 -17.043 -17.119 1.00 0.00 N ATOM 130 CA PRO A 10 7.103 -17.369 -16.364 1.00 0.00 C ATOM 131 C PRO A 10 5.884 -17.628 -17.252 1.00 0.00 C ATOM 132 O PRO A 10 4.912 -18.231 -16.811 1.00 0.00 O ATOM 133 CB PRO A 10 6.883 -16.136 -15.487 1.00 0.00 C ATOM 134 CG PRO A 10 7.587 -15.040 -16.201 1.00 0.00 C ATOM 135 CD PRO A 10 8.787 -15.673 -16.843 1.00 0.00 C ATOM 0 HA PRO A 10 7.223 -18.296 -15.803 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.822 -15.916 -15.371 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.290 -16.283 -14.486 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.940 -14.582 -16.949 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.884 -14.251 -15.510 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.079 -15.153 -17.755 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.652 -15.665 -16.180 1.00 0.00 H new ATOM 143 N ILE A 11 5.938 -17.170 -18.494 1.00 0.00 N ATOM 144 CA ILE A 11 4.857 -17.418 -19.436 1.00 0.00 C ATOM 145 C ILE A 11 4.745 -18.912 -19.771 1.00 0.00 C ATOM 146 O ILE A 11 3.647 -19.472 -19.803 1.00 0.00 O ATOM 147 CB ILE A 11 4.998 -16.565 -20.726 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.802 -15.087 -20.386 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.995 -17.004 -21.795 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.092 -14.143 -21.531 1.00 0.00 C ATOM 0 H ILE A 11 6.715 -16.627 -18.872 1.00 0.00 H new ATOM 0 HA ILE A 11 3.932 -17.110 -18.948 1.00 0.00 H new ATOM 0 HB ILE A 11 5.999 -16.714 -21.132 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.774 -14.935 -20.056 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.448 -14.830 -19.546 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.119 -16.388 -22.685 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.169 -18.049 -22.050 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.981 -16.888 -21.412 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.929 -13.116 -21.206 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.128 -14.263 -21.848 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.429 -14.369 -22.366 1.00 0.00 H new ATOM 162 N CYS A 12 5.876 -19.555 -20.006 1.00 0.00 N ATOM 163 CA CYS A 12 5.877 -20.964 -20.356 1.00 0.00 C ATOM 164 C CYS A 12 6.254 -21.831 -19.162 1.00 0.00 C ATOM 165 O CYS A 12 5.946 -23.024 -19.126 1.00 0.00 O ATOM 166 CB CYS A 12 6.823 -21.215 -21.530 1.00 0.00 C ATOM 167 SG CYS A 12 8.516 -20.588 -21.283 1.00 0.00 S ATOM 0 H CYS A 12 6.800 -19.126 -19.961 1.00 0.00 H new ATOM 0 HA CYS A 12 4.866 -21.241 -20.656 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.870 -22.287 -21.719 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.404 -20.752 -22.423 1.00 0.00 H new ATOM 0 HG CYS A 12 8.493 -19.290 -21.223 1.00 0.00 H new ATOM 172 N LEU A 13 6.923 -21.213 -18.190 1.00 0.00 N ATOM 173 CA LEU A 13 7.404 -21.878 -16.974 1.00 0.00 C ATOM 174 C LEU A 13 8.365 -23.016 -17.291 1.00 0.00 C ATOM 175 O LEU A 13 8.559 -23.919 -16.483 1.00 0.00 O ATOM 176 CB LEU A 13 6.234 -22.380 -16.115 1.00 0.00 C ATOM 177 CG LEU A 13 5.358 -21.303 -15.480 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.136 -21.932 -14.844 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.147 -20.521 -14.439 1.00 0.00 C ATOM 0 H LEU A 13 7.151 -20.219 -18.223 1.00 0.00 H new ATOM 0 HA LEU A 13 7.955 -21.132 -16.400 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.601 -23.016 -16.734 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.636 -23.008 -15.320 1.00 0.00 H new ATOM 0 HG LEU A 13 5.034 -20.614 -16.260 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.519 -21.154 -14.394 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.560 -22.458 -15.605 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.449 -22.637 -14.074 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.508 -19.757 -13.996 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.494 -21.200 -13.660 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.005 -20.045 -14.914 1.00 0.00 H new ATOM 191 N MET A 14 8.987 -22.961 -18.456 1.00 0.00 N ATOM 192 CA MET A 14 9.953 -23.978 -18.820 1.00 0.00 C ATOM 193 C MET A 14 11.350 -23.502 -18.474 1.00 0.00 C ATOM 194 O MET A 14 11.969 -23.991 -17.542 1.00 0.00 O ATOM 195 CB MET A 14 9.877 -24.303 -20.317 1.00 0.00 C ATOM 196 CG MET A 14 8.558 -24.905 -20.771 1.00 0.00 C ATOM 197 SD MET A 14 8.577 -25.392 -22.516 1.00 0.00 S ATOM 198 CE MET A 14 8.818 -23.809 -23.326 1.00 0.00 C ATOM 0 H MET A 14 8.842 -22.233 -19.156 1.00 0.00 H new ATOM 0 HA MET A 14 9.721 -24.884 -18.260 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.057 -23.389 -20.883 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.681 -24.995 -20.566 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.330 -25.776 -20.157 1.00 0.00 H new ATOM 0 HG3 MET A 14 7.758 -24.183 -20.608 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.985 -23.616 -24.003 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.866 -23.020 -22.576 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.749 -23.828 -23.893 1.00 0.00 H new ATOM 208 N ALA A 15 11.802 -22.498 -19.202 1.00 0.00 N ATOM 209 CA ALA A 15 13.137 -21.945 -19.073 1.00 0.00 C ATOM 210 C ALA A 15 13.197 -20.710 -19.944 1.00 0.00 C ATOM 211 O ALA A 15 12.153 -20.218 -20.370 1.00 0.00 O ATOM 212 CB ALA A 15 14.175 -22.965 -19.537 1.00 0.00 C ATOM 0 H ALA A 15 11.239 -22.034 -19.915 1.00 0.00 H new ATOM 0 HA ALA A 15 13.353 -21.696 -18.034 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.174 -22.540 -19.436 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.100 -23.864 -18.926 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.993 -23.220 -20.581 1.00 0.00 H new ATOM 218 N LEU A 16 14.381 -20.204 -20.216 1.00 0.00 N ATOM 219 CA LEU A 16 14.512 -19.101 -21.143 1.00 0.00 C ATOM 220 C LEU A 16 14.995 -19.597 -22.484 1.00 0.00 C ATOM 221 O LEU A 16 16.024 -20.266 -22.577 1.00 0.00 O ATOM 222 CB LEU A 16 15.468 -18.020 -20.615 1.00 0.00 C ATOM 223 CG LEU A 16 15.030 -17.271 -19.358 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.093 -16.277 -18.931 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.723 -16.551 -19.608 1.00 0.00 C ATOM 0 H LEU A 16 15.258 -20.535 -19.813 1.00 0.00 H new ATOM 0 HA LEU A 16 13.525 -18.652 -21.254 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.432 -18.487 -20.414 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.627 -17.290 -21.408 1.00 0.00 H new ATOM 0 HG LEU A 16 14.890 -17.997 -18.557 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.762 -15.754 -18.034 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.022 -16.806 -18.720 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.259 -15.556 -19.731 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.421 -16.021 -18.705 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.851 -15.837 -20.422 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.954 -17.275 -19.878 1.00 0.00 H new ATOM 237 N ARG A 17 14.238 -19.297 -23.513 1.00 0.00 N ATOM 238 CA ARG A 17 14.642 -19.613 -24.864 1.00 0.00 C ATOM 239 C ARG A 17 15.671 -18.606 -25.383 1.00 0.00 C ATOM 240 O ARG A 17 16.801 -18.966 -25.696 1.00 0.00 O ATOM 241 CB ARG A 17 13.413 -19.648 -25.783 1.00 0.00 C ATOM 242 CG ARG A 17 13.735 -19.709 -27.264 1.00 0.00 C ATOM 243 CD ARG A 17 14.451 -20.978 -27.655 1.00 0.00 C ATOM 244 NE ARG A 17 15.006 -20.855 -29.001 1.00 0.00 N ATOM 245 CZ ARG A 17 15.081 -21.840 -29.889 1.00 0.00 C ATOM 246 NH1 ARG A 17 14.622 -23.049 -29.581 1.00 0.00 N ATOM 247 NH2 ARG A 17 15.614 -21.612 -31.083 1.00 0.00 N ATOM 0 H ARG A 17 13.333 -18.832 -23.440 1.00 0.00 H new ATOM 0 HA ARG A 17 15.112 -20.597 -24.861 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.804 -20.513 -25.521 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.807 -18.762 -25.592 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.811 -19.628 -27.836 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.352 -18.852 -27.533 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.250 -21.187 -26.943 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.760 -21.820 -27.615 1.00 0.00 H new ATOM 0 HE ARG A 17 15.364 -19.942 -29.281 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.212 -23.220 -28.663 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.680 -23.805 -30.263 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.964 -20.683 -31.316 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.673 -22.366 -31.767 1.00 0.00 H new ATOM 261 N GLU A 18 15.276 -17.345 -25.452 1.00 0.00 N ATOM 262 CA GLU A 18 16.148 -16.319 -26.012 1.00 0.00 C ATOM 263 C GLU A 18 16.677 -15.396 -24.933 1.00 0.00 C ATOM 264 O GLU A 18 17.631 -14.652 -25.160 1.00 0.00 O ATOM 265 CB GLU A 18 15.411 -15.505 -27.070 1.00 0.00 C ATOM 266 CG GLU A 18 14.932 -16.322 -28.258 1.00 0.00 C ATOM 267 CD GLU A 18 16.060 -17.008 -28.988 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.987 -16.318 -29.434 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.023 -18.252 -29.124 1.00 0.00 O ATOM 0 H GLU A 18 14.368 -17.007 -25.132 1.00 0.00 H new ATOM 0 HA GLU A 18 16.993 -16.826 -26.477 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.552 -15.019 -26.607 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.070 -14.714 -27.428 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.219 -17.071 -27.914 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.400 -15.670 -28.951 1.00 0.00 H new ATOM 276 N ALA A 19 16.045 -15.459 -23.763 1.00 0.00 N ATOM 277 CA ALA A 19 16.366 -14.601 -22.623 1.00 0.00 C ATOM 278 C ALA A 19 16.260 -13.112 -22.967 1.00 0.00 C ATOM 279 O ALA A 19 17.267 -12.424 -23.134 1.00 0.00 O ATOM 280 CB ALA A 19 17.731 -14.940 -22.030 1.00 0.00 C ATOM 0 H ALA A 19 15.286 -16.115 -23.577 1.00 0.00 H new ATOM 0 HA ALA A 19 15.615 -14.803 -21.860 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.934 -14.282 -21.185 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.733 -15.976 -21.691 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.501 -14.805 -22.789 1.00 0.00 H new ATOM 286 N VAL A 20 15.039 -12.629 -23.093 1.00 0.00 N ATOM 287 CA VAL A 20 14.810 -11.220 -23.350 1.00 0.00 C ATOM 288 C VAL A 20 14.309 -10.519 -22.095 1.00 0.00 C ATOM 289 O VAL A 20 13.256 -10.860 -21.539 1.00 0.00 O ATOM 290 CB VAL A 20 13.881 -10.943 -24.571 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.552 -11.393 -25.861 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.528 -11.624 -24.416 1.00 0.00 C ATOM 0 H VAL A 20 14.191 -13.191 -23.022 1.00 0.00 H new ATOM 0 HA VAL A 20 15.777 -10.800 -23.625 1.00 0.00 H new ATOM 0 HB VAL A 20 13.708 -9.868 -24.615 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.891 -11.193 -26.704 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.486 -10.847 -25.995 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.760 -12.462 -25.809 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.910 -11.407 -25.287 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.670 -12.701 -24.331 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.034 -11.252 -23.518 1.00 0.00 H new ATOM 302 N GLN A 21 15.103 -9.594 -21.633 1.00 0.00 N ATOM 303 CA GLN A 21 14.842 -8.852 -20.429 1.00 0.00 C ATOM 304 C GLN A 21 13.863 -7.711 -20.691 1.00 0.00 C ATOM 305 O GLN A 21 13.917 -7.061 -21.728 1.00 0.00 O ATOM 306 CB GLN A 21 16.162 -8.323 -19.875 1.00 0.00 C ATOM 307 CG GLN A 21 16.048 -7.563 -18.568 1.00 0.00 C ATOM 308 CD GLN A 21 17.392 -7.100 -18.051 1.00 0.00 C ATOM 309 OE1 GLN A 21 17.496 -6.064 -17.410 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.437 -7.859 -18.334 1.00 0.00 N ATOM 0 H GLN A 21 15.973 -9.328 -22.095 1.00 0.00 H new ATOM 0 HA GLN A 21 14.381 -9.511 -19.693 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.842 -9.163 -19.732 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.616 -7.669 -20.620 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.399 -6.699 -18.709 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.574 -8.200 -17.821 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.313 -8.717 -18.871 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.367 -7.586 -18.015 1.00 0.00 H new ATOM 319 N THR A 22 12.962 -7.499 -19.770 1.00 0.00 N ATOM 320 CA THR A 22 12.041 -6.385 -19.834 1.00 0.00 C ATOM 321 C THR A 22 12.552 -5.242 -18.953 1.00 0.00 C ATOM 322 O THR A 22 13.349 -5.484 -18.045 1.00 0.00 O ATOM 323 CB THR A 22 10.641 -6.823 -19.364 1.00 0.00 C ATOM 324 OG1 THR A 22 10.763 -7.603 -18.165 1.00 0.00 O ATOM 325 CG2 THR A 22 9.956 -7.650 -20.434 1.00 0.00 C ATOM 0 H THR A 22 12.842 -8.093 -18.950 1.00 0.00 H new ATOM 0 HA THR A 22 11.972 -6.042 -20.866 1.00 0.00 H new ATOM 0 HB THR A 22 10.042 -5.933 -19.170 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.060 -8.509 -18.393 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.968 -7.951 -20.085 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.854 -7.057 -21.343 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.552 -8.538 -20.645 1.00 0.00 H new ATOM 333 N PRO A 23 12.101 -3.985 -19.202 1.00 0.00 N ATOM 334 CA PRO A 23 12.527 -2.803 -18.418 1.00 0.00 C ATOM 335 C PRO A 23 12.272 -2.978 -16.924 1.00 0.00 C ATOM 336 O PRO A 23 13.039 -2.496 -16.090 1.00 0.00 O ATOM 337 CB PRO A 23 11.647 -1.682 -18.966 1.00 0.00 C ATOM 338 CG PRO A 23 11.310 -2.114 -20.345 1.00 0.00 C ATOM 339 CD PRO A 23 11.163 -3.605 -20.279 1.00 0.00 C ATOM 0 HA PRO A 23 13.597 -2.618 -18.512 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.750 -1.550 -18.361 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.174 -0.728 -18.967 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.388 -1.645 -20.688 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.093 -1.829 -21.047 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.140 -3.900 -20.045 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.423 -4.078 -21.226 1.00 0.00 H new ATOM 347 N CYS A 24 11.189 -3.664 -16.591 1.00 0.00 N ATOM 348 CA CYS A 24 10.847 -3.934 -15.212 1.00 0.00 C ATOM 349 C CYS A 24 11.780 -4.985 -14.565 1.00 0.00 C ATOM 350 O CYS A 24 11.819 -5.126 -13.342 1.00 0.00 O ATOM 351 CB CYS A 24 9.373 -4.308 -15.096 1.00 0.00 C ATOM 352 SG CYS A 24 8.714 -5.196 -16.548 1.00 0.00 S ATOM 0 H CYS A 24 10.529 -4.045 -17.269 1.00 0.00 H new ATOM 0 HA CYS A 24 11.005 -3.018 -14.642 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.235 -4.928 -14.211 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.790 -3.400 -14.943 1.00 0.00 H new ATOM 0 HG CYS A 24 7.423 -5.308 -16.439 1.00 0.00 H new ATOM 357 N GLY A 25 12.526 -5.711 -15.391 1.00 0.00 N ATOM 358 CA GLY A 25 13.518 -6.642 -14.873 1.00 0.00 C ATOM 359 C GLY A 25 13.046 -8.081 -14.823 1.00 0.00 C ATOM 360 O GLY A 25 13.286 -8.787 -13.842 1.00 0.00 O ATOM 0 H GLY A 25 12.463 -5.673 -16.408 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.413 -6.585 -15.493 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.805 -6.330 -13.869 1.00 0.00 H new ATOM 364 N HIS A 26 12.363 -8.524 -15.860 1.00 0.00 N ATOM 365 CA HIS A 26 11.956 -9.928 -15.943 1.00 0.00 C ATOM 366 C HIS A 26 12.423 -10.457 -17.274 1.00 0.00 C ATOM 367 O HIS A 26 12.364 -9.741 -18.273 1.00 0.00 O ATOM 368 CB HIS A 26 10.427 -10.083 -15.886 1.00 0.00 C ATOM 369 CG HIS A 26 9.738 -9.171 -14.938 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.685 -9.363 -13.576 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.085 -8.027 -15.178 1.00 0.00 C ATOM 372 CE1 HIS A 26 9.023 -8.363 -13.024 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.648 -7.537 -13.983 1.00 0.00 N ATOM 0 H HIS A 26 12.077 -7.947 -16.651 1.00 0.00 H new ATOM 0 HA HIS A 26 12.389 -10.468 -15.101 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.023 -9.917 -16.885 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.191 -11.112 -15.613 1.00 0.00 H new ATOM 0 HD1 HIS A 26 10.092 -10.152 -13.074 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.932 -7.573 -16.146 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.823 -8.242 -11.970 1.00 0.00 H new ATOM 380 N ARG A 27 12.887 -11.670 -17.307 1.00 0.00 N ATOM 381 CA ARG A 27 13.332 -12.260 -18.553 1.00 0.00 C ATOM 382 C ARG A 27 12.320 -13.256 -19.093 1.00 0.00 C ATOM 383 O ARG A 27 11.743 -14.046 -18.345 1.00 0.00 O ATOM 384 CB ARG A 27 14.725 -12.854 -18.394 1.00 0.00 C ATOM 385 CG ARG A 27 15.792 -11.784 -18.204 1.00 0.00 C ATOM 386 CD ARG A 27 17.154 -12.368 -17.902 1.00 0.00 C ATOM 387 NE ARG A 27 17.187 -12.996 -16.580 1.00 0.00 N ATOM 388 CZ ARG A 27 18.254 -13.583 -16.042 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.405 -13.611 -16.706 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.173 -14.129 -14.837 1.00 0.00 N ATOM 0 H ARG A 27 12.971 -12.277 -16.492 1.00 0.00 H new ATOM 0 HA ARG A 27 13.404 -11.473 -19.304 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.734 -13.529 -17.538 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.965 -13.451 -19.274 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.854 -11.174 -19.105 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.496 -11.122 -17.390 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.412 -13.105 -18.663 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.907 -11.582 -17.951 1.00 0.00 H new ATOM 0 HE ARG A 27 16.328 -12.983 -16.030 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.472 -13.182 -17.629 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.222 -14.061 -16.292 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.293 -14.099 -14.322 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.990 -14.579 -14.425 1.00 0.00 H new ATOM 404 N PHE A 28 12.094 -13.183 -20.388 1.00 0.00 N ATOM 405 CA PHE A 28 11.105 -14.002 -21.072 1.00 0.00 C ATOM 406 C PHE A 28 11.714 -14.589 -22.340 1.00 0.00 C ATOM 407 O PHE A 28 12.852 -14.274 -22.703 1.00 0.00 O ATOM 408 CB PHE A 28 9.886 -13.160 -21.476 1.00 0.00 C ATOM 409 CG PHE A 28 9.121 -12.523 -20.349 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.078 -13.193 -19.734 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.430 -11.243 -19.923 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.365 -12.595 -18.712 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.718 -10.645 -18.905 1.00 0.00 C ATOM 414 CZ PHE A 28 7.686 -11.321 -18.298 1.00 0.00 C ATOM 0 H PHE A 28 12.596 -12.546 -21.006 1.00 0.00 H new ATOM 0 HA PHE A 28 10.794 -14.794 -20.391 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.221 -12.373 -22.152 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.202 -13.794 -22.040 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.819 -14.191 -20.055 1.00 0.00 H new ATOM 0 HD2 PHE A 28 10.240 -10.705 -20.394 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.554 -13.128 -18.237 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.971 -9.645 -18.584 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.129 -10.855 -17.499 1.00 0.00 H new ATOM 424 N CYS A 29 10.977 -15.461 -22.989 1.00 0.00 N ATOM 425 CA CYS A 29 11.365 -15.947 -24.297 1.00 0.00 C ATOM 426 C CYS A 29 10.854 -14.986 -25.372 1.00 0.00 C ATOM 427 O CYS A 29 9.805 -14.362 -25.207 1.00 0.00 O ATOM 428 CB CYS A 29 10.785 -17.330 -24.540 1.00 0.00 C ATOM 429 SG CYS A 29 11.187 -18.553 -23.254 1.00 0.00 S ATOM 0 H CYS A 29 10.104 -15.850 -22.633 1.00 0.00 H new ATOM 0 HA CYS A 29 12.452 -16.006 -24.342 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.701 -17.247 -24.619 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.147 -17.698 -25.500 1.00 0.00 H new ATOM 0 HG CYS A 29 10.644 -19.695 -23.556 1.00 0.00 H new ATOM 434 N LYS A 30 11.585 -14.901 -26.474 1.00 0.00 N ATOM 435 CA LYS A 30 11.279 -13.982 -27.577 1.00 0.00 C ATOM 436 C LYS A 30 9.988 -14.389 -28.313 1.00 0.00 C ATOM 437 O LYS A 30 9.432 -13.618 -29.092 1.00 0.00 O ATOM 438 CB LYS A 30 12.474 -13.932 -28.535 1.00 0.00 C ATOM 439 CG LYS A 30 12.371 -12.935 -29.674 1.00 0.00 C ATOM 440 CD LYS A 30 13.662 -12.923 -30.484 1.00 0.00 C ATOM 441 CE LYS A 30 13.613 -11.913 -31.619 1.00 0.00 C ATOM 442 NZ LYS A 30 12.637 -12.295 -32.670 1.00 0.00 N ATOM 0 H LYS A 30 12.416 -15.470 -26.636 1.00 0.00 H new ATOM 0 HA LYS A 30 11.104 -12.986 -27.169 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.369 -13.702 -27.957 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.616 -14.926 -28.960 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.531 -13.195 -30.319 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.173 -11.939 -29.278 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.500 -12.690 -29.827 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.844 -13.918 -30.891 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.349 -10.934 -31.220 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.604 -11.820 -32.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.687 -11.614 -33.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.862 -13.247 -33.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.677 -12.292 -32.270 1.00 0.00 H new ATOM 456 N ALA A 31 9.505 -15.584 -28.035 1.00 0.00 N ATOM 457 CA ALA A 31 8.294 -16.070 -28.672 1.00 0.00 C ATOM 458 C ALA A 31 7.190 -16.236 -27.640 1.00 0.00 C ATOM 459 O ALA A 31 6.046 -16.527 -27.979 1.00 0.00 O ATOM 460 CB ALA A 31 8.560 -17.386 -29.387 1.00 0.00 C ATOM 0 H ALA A 31 9.930 -16.235 -27.375 1.00 0.00 H new ATOM 0 HA ALA A 31 7.971 -15.338 -29.413 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.642 -17.736 -29.859 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.326 -17.238 -30.149 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.903 -18.128 -28.667 1.00 0.00 H new ATOM 466 N CYS A 32 7.533 -16.036 -26.379 1.00 0.00 N ATOM 467 CA CYS A 32 6.544 -16.064 -25.325 1.00 0.00 C ATOM 468 C CYS A 32 6.009 -14.664 -25.054 1.00 0.00 C ATOM 469 O CYS A 32 4.820 -14.415 -25.197 1.00 0.00 O ATOM 470 CB CYS A 32 7.107 -16.687 -24.047 1.00 0.00 C ATOM 471 SG CYS A 32 7.669 -18.413 -24.227 1.00 0.00 S ATOM 0 H CYS A 32 8.486 -15.853 -26.065 1.00 0.00 H new ATOM 0 HA CYS A 32 5.717 -16.690 -25.661 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.944 -16.080 -23.701 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.342 -16.647 -23.271 1.00 0.00 H new ATOM 0 HG CYS A 32 8.857 -18.538 -23.713 1.00 0.00 H new ATOM 476 N ILE A 33 6.905 -13.741 -24.697 1.00 0.00 N ATOM 477 CA ILE A 33 6.484 -12.394 -24.315 1.00 0.00 C ATOM 478 C ILE A 33 5.867 -11.636 -25.491 1.00 0.00 C ATOM 479 O ILE A 33 4.829 -11.009 -25.345 1.00 0.00 O ATOM 480 CB ILE A 33 7.639 -11.568 -23.658 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.129 -10.231 -23.089 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.797 -11.337 -24.624 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.122 -10.378 -21.967 1.00 0.00 C ATOM 0 H ILE A 33 7.912 -13.899 -24.665 1.00 0.00 H new ATOM 0 HA ILE A 33 5.711 -12.521 -23.557 1.00 0.00 H new ATOM 0 HB ILE A 33 8.016 -12.165 -22.828 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.980 -9.655 -22.725 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.676 -9.655 -23.896 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.576 -10.760 -24.126 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.203 -12.297 -24.941 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.440 -10.789 -25.496 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.814 -9.391 -21.623 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.251 -10.924 -22.329 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.576 -10.925 -21.140 1.00 0.00 H new ATOM 495 N ILE A 34 6.474 -11.749 -26.667 1.00 0.00 N ATOM 496 CA ILE A 34 5.965 -11.067 -27.850 1.00 0.00 C ATOM 497 C ILE A 34 4.582 -11.586 -28.216 1.00 0.00 C ATOM 498 O ILE A 34 3.664 -10.815 -28.482 1.00 0.00 O ATOM 499 CB ILE A 34 6.938 -11.164 -29.057 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.209 -10.372 -28.749 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.283 -10.638 -30.337 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.311 -10.536 -29.769 1.00 0.00 C ATOM 0 H ILE A 34 7.315 -12.304 -26.826 1.00 0.00 H new ATOM 0 HA ILE A 34 5.884 -10.009 -27.600 1.00 0.00 H new ATOM 0 HB ILE A 34 7.191 -12.212 -29.219 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.954 -9.315 -28.675 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.586 -10.679 -27.773 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.987 -10.718 -31.165 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.393 -11.227 -30.559 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.002 -9.594 -30.199 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.174 -9.940 -29.472 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.598 -11.586 -29.829 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.957 -10.201 -30.744 1.00 0.00 H new ATOM 514 N LYS A 35 4.423 -12.893 -28.155 1.00 0.00 N ATOM 515 CA LYS A 35 3.189 -13.537 -28.569 1.00 0.00 C ATOM 516 C LYS A 35 2.126 -13.438 -27.457 1.00 0.00 C ATOM 517 O LYS A 35 0.997 -13.870 -27.623 1.00 0.00 O ATOM 518 CB LYS A 35 3.478 -15.005 -28.937 1.00 0.00 C ATOM 519 CG LYS A 35 2.285 -15.800 -29.451 1.00 0.00 C ATOM 520 CD LYS A 35 1.776 -15.259 -30.777 1.00 0.00 C ATOM 521 CE LYS A 35 0.541 -16.012 -31.235 1.00 0.00 C ATOM 522 NZ LYS A 35 0.814 -17.456 -31.429 1.00 0.00 N ATOM 0 H LYS A 35 5.140 -13.537 -27.820 1.00 0.00 H new ATOM 0 HA LYS A 35 2.791 -13.028 -29.447 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.259 -15.024 -29.697 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.877 -15.510 -28.057 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.569 -16.846 -29.570 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.483 -15.769 -28.714 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.543 -14.199 -30.676 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.558 -15.343 -31.532 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.253 -15.888 -30.499 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.179 -15.582 -32.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.016 -17.896 -31.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.682 -17.573 -31.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.936 -17.914 -30.503 1.00 0.00 H new ATOM 536 N SER A 36 2.492 -12.841 -26.342 1.00 0.00 N ATOM 537 CA SER A 36 1.562 -12.662 -25.253 1.00 0.00 C ATOM 538 C SER A 36 1.121 -11.194 -25.189 1.00 0.00 C ATOM 539 O SER A 36 0.049 -10.875 -24.681 1.00 0.00 O ATOM 540 CB SER A 36 2.221 -13.095 -23.930 1.00 0.00 C ATOM 541 OG SER A 36 1.281 -13.175 -22.872 1.00 0.00 O ATOM 0 H SER A 36 3.427 -12.472 -26.168 1.00 0.00 H new ATOM 0 HA SER A 36 0.680 -13.282 -25.417 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.700 -14.065 -24.064 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.005 -12.386 -23.666 1.00 0.00 H new ATOM 0 HG SER A 36 1.736 -13.454 -22.050 1.00 0.00 H new ATOM 547 N ILE A 37 1.908 -10.307 -25.789 1.00 0.00 N ATOM 548 CA ILE A 37 1.621 -8.882 -25.686 1.00 0.00 C ATOM 549 C ILE A 37 0.966 -8.342 -26.946 1.00 0.00 C ATOM 550 O ILE A 37 0.328 -7.303 -26.921 1.00 0.00 O ATOM 551 CB ILE A 37 2.892 -8.054 -25.372 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.961 -8.264 -26.454 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.431 -8.387 -23.987 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.193 -7.407 -26.288 1.00 0.00 C ATOM 0 H ILE A 37 2.733 -10.543 -26.341 1.00 0.00 H new ATOM 0 HA ILE A 37 0.923 -8.777 -24.856 1.00 0.00 H new ATOM 0 HB ILE A 37 2.620 -6.999 -25.374 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.260 -9.312 -26.454 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.519 -8.059 -27.429 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.323 -7.792 -23.791 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.673 -8.161 -23.237 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.683 -9.446 -23.940 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.895 -7.619 -27.094 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.911 -6.355 -26.320 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.663 -7.628 -25.330 1.00 0.00 H new ATOM 566 N ARG A 38 1.108 -9.048 -28.043 1.00 0.00 N ATOM 567 CA ARG A 38 0.418 -8.662 -29.266 1.00 0.00 C ATOM 568 C ARG A 38 -0.818 -9.525 -29.468 1.00 0.00 C ATOM 569 O ARG A 38 -1.536 -9.402 -30.461 1.00 0.00 O ATOM 570 CB ARG A 38 1.363 -8.702 -30.475 1.00 0.00 C ATOM 571 CG ARG A 38 1.923 -10.073 -30.803 1.00 0.00 C ATOM 572 CD ARG A 38 2.964 -9.988 -31.908 1.00 0.00 C ATOM 573 NE ARG A 38 2.399 -9.605 -33.200 1.00 0.00 N ATOM 574 CZ ARG A 38 2.993 -8.787 -34.080 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.099 -8.117 -33.745 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.453 -8.609 -35.276 1.00 0.00 N ATOM 0 H ARG A 38 1.687 -9.884 -28.121 1.00 0.00 H new ATOM 0 HA ARG A 38 0.085 -7.629 -29.169 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.829 -8.325 -31.348 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.194 -8.021 -30.291 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.370 -10.510 -29.910 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.114 -10.736 -31.111 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.728 -9.265 -31.624 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.460 -10.954 -32.007 1.00 0.00 H new ATOM 0 HE ARG A 38 1.487 -9.988 -33.450 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.498 -8.226 -32.813 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.544 -7.497 -34.421 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.590 -9.093 -35.523 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.900 -7.988 -35.950 1.00 0.00 H new ATOM 590 N ASP A 39 -1.064 -10.397 -28.499 1.00 0.00 N ATOM 591 CA ASP A 39 -2.206 -11.297 -28.554 1.00 0.00 C ATOM 592 C ASP A 39 -3.179 -10.998 -27.419 1.00 0.00 C ATOM 593 O ASP A 39 -4.387 -10.914 -27.634 1.00 0.00 O ATOM 594 CB ASP A 39 -1.750 -12.755 -28.492 1.00 0.00 C ATOM 595 CG ASP A 39 -2.883 -13.731 -28.721 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.202 -14.015 -29.895 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.465 -14.223 -27.736 1.00 0.00 O ATOM 0 H ASP A 39 -0.486 -10.499 -27.665 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.719 -11.137 -29.502 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.976 -12.921 -29.241 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.299 -12.949 -27.519 1.00 0.00 H new ATOM 602 N ALA A 40 -2.653 -10.842 -26.208 1.00 0.00 N ATOM 603 CA ALA A 40 -3.479 -10.477 -25.064 1.00 0.00 C ATOM 604 C ALA A 40 -3.498 -8.960 -24.881 1.00 0.00 C ATOM 605 O ALA A 40 -4.504 -8.303 -25.148 1.00 0.00 O ATOM 606 CB ALA A 40 -2.994 -11.178 -23.801 1.00 0.00 C ATOM 0 H ALA A 40 -1.663 -10.962 -25.995 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.500 -10.807 -25.256 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.625 -10.891 -22.960 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.046 -12.258 -23.941 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.963 -10.888 -23.597 1.00 0.00 H new ATOM 612 N GLY A 41 -2.378 -8.407 -24.448 1.00 0.00 N ATOM 613 CA GLY A 41 -2.272 -6.976 -24.275 1.00 0.00 C ATOM 614 C GLY A 41 -0.835 -6.571 -24.096 1.00 0.00 C ATOM 615 O GLY A 41 -0.024 -7.380 -23.658 1.00 0.00 O ATOM 0 H GLY A 41 -1.534 -8.929 -24.212 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.694 -6.467 -25.142 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.854 -6.665 -23.408 1.00 0.00 H new ATOM 619 N HIS A 42 -0.509 -5.326 -24.423 1.00 0.00 N ATOM 620 CA HIS A 42 0.874 -4.854 -24.342 1.00 0.00 C ATOM 621 C HIS A 42 1.277 -4.486 -22.924 1.00 0.00 C ATOM 622 O HIS A 42 1.455 -3.310 -22.577 1.00 0.00 O ATOM 623 CB HIS A 42 1.170 -3.723 -25.342 1.00 0.00 C ATOM 624 CG HIS A 42 1.296 -4.187 -26.766 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.247 -4.204 -27.662 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.368 -4.665 -27.443 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.671 -4.672 -28.824 1.00 0.00 C ATOM 628 NE2 HIS A 42 1.954 -4.958 -28.717 1.00 0.00 N ATOM 0 H HIS A 42 -1.177 -4.626 -24.745 1.00 0.00 H new ATOM 0 HA HIS A 42 1.501 -5.696 -24.635 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.375 -2.980 -25.281 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.094 -3.225 -25.049 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.366 -4.792 -27.051 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.068 -4.799 -29.711 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.542 -5.335 -29.460 1.00 0.00 H new ATOM 637 N LYS A 43 1.369 -5.500 -22.105 1.00 0.00 N ATOM 638 CA LYS A 43 1.767 -5.390 -20.726 1.00 0.00 C ATOM 639 C LYS A 43 2.410 -6.707 -20.315 1.00 0.00 C ATOM 640 O LYS A 43 2.114 -7.742 -20.913 1.00 0.00 O ATOM 641 CB LYS A 43 0.535 -5.094 -19.851 1.00 0.00 C ATOM 642 CG LYS A 43 -0.496 -6.221 -19.825 1.00 0.00 C ATOM 643 CD LYS A 43 -1.713 -5.877 -18.973 1.00 0.00 C ATOM 644 CE LYS A 43 -2.778 -5.087 -19.749 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.323 -3.738 -20.174 1.00 0.00 N ATOM 0 H LYS A 43 1.162 -6.458 -22.389 1.00 0.00 H new ATOM 0 HA LYS A 43 2.479 -4.575 -20.596 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.866 -4.895 -18.832 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.055 -4.185 -20.214 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.819 -6.438 -20.843 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.030 -7.127 -19.438 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.156 -6.797 -18.591 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.393 -5.295 -18.109 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.071 -5.657 -20.630 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.667 -4.983 -19.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.145 -3.107 -20.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.667 -3.354 -19.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.839 -3.808 -21.092 1.00 0.00 H new ATOM 659 N CYS A 44 3.286 -6.679 -19.335 1.00 0.00 N ATOM 660 CA CYS A 44 3.848 -7.912 -18.845 1.00 0.00 C ATOM 661 C CYS A 44 2.853 -8.597 -17.902 1.00 0.00 C ATOM 662 O CYS A 44 2.430 -8.012 -16.908 1.00 0.00 O ATOM 663 CB CYS A 44 5.214 -7.668 -18.187 1.00 0.00 C ATOM 664 SG CYS A 44 5.335 -6.124 -17.223 1.00 0.00 S ATOM 0 H CYS A 44 3.618 -5.833 -18.871 1.00 0.00 H new ATOM 0 HA CYS A 44 4.026 -8.587 -19.682 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.440 -8.508 -17.531 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.979 -7.655 -18.964 1.00 0.00 H new ATOM 0 HG CYS A 44 5.858 -6.378 -16.060 1.00 0.00 H new ATOM 669 N PRO A 45 2.480 -9.855 -18.202 1.00 0.00 N ATOM 670 CA PRO A 45 1.391 -10.564 -17.499 1.00 0.00 C ATOM 671 C PRO A 45 1.671 -10.818 -16.017 1.00 0.00 C ATOM 672 O PRO A 45 0.748 -11.045 -15.227 1.00 0.00 O ATOM 673 CB PRO A 45 1.284 -11.893 -18.261 1.00 0.00 C ATOM 674 CG PRO A 45 2.622 -12.068 -18.895 1.00 0.00 C ATOM 675 CD PRO A 45 3.072 -10.687 -19.267 1.00 0.00 C ATOM 0 HA PRO A 45 0.477 -9.971 -17.496 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.052 -12.719 -17.588 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.492 -11.859 -19.009 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.324 -12.538 -18.206 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.559 -12.710 -19.773 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.159 -10.607 -19.286 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.713 -10.396 -20.254 1.00 0.00 H new ATOM 683 N VAL A 46 2.929 -10.798 -15.645 1.00 0.00 N ATOM 684 CA VAL A 46 3.300 -11.077 -14.275 1.00 0.00 C ATOM 685 C VAL A 46 3.073 -9.884 -13.333 1.00 0.00 C ATOM 686 O VAL A 46 2.410 -10.021 -12.305 1.00 0.00 O ATOM 687 CB VAL A 46 4.747 -11.626 -14.153 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.817 -13.034 -14.713 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.737 -10.733 -14.887 1.00 0.00 C ATOM 0 H VAL A 46 3.711 -10.593 -16.267 1.00 0.00 H new ATOM 0 HA VAL A 46 2.623 -11.866 -13.947 1.00 0.00 H new ATOM 0 HB VAL A 46 5.014 -11.640 -13.096 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.836 -13.411 -14.623 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.140 -13.681 -14.156 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.526 -13.023 -15.763 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.742 -11.142 -14.784 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.471 -10.686 -15.943 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.708 -9.730 -14.460 1.00 0.00 H new ATOM 699 N ASP A 47 3.605 -8.724 -13.683 1.00 0.00 N ATOM 700 CA ASP A 47 3.516 -7.558 -12.806 1.00 0.00 C ATOM 701 C ASP A 47 2.624 -6.456 -13.375 1.00 0.00 C ATOM 702 O ASP A 47 2.505 -5.390 -12.778 1.00 0.00 O ATOM 703 CB ASP A 47 4.914 -7.007 -12.503 1.00 0.00 C ATOM 704 CG ASP A 47 5.702 -6.672 -13.753 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.804 -7.511 -14.662 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.256 -5.572 -13.859 1.00 0.00 O ATOM 0 H ASP A 47 4.100 -8.561 -14.560 1.00 0.00 H new ATOM 0 HA ASP A 47 3.051 -7.896 -11.880 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.820 -6.112 -11.888 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.468 -7.740 -11.916 1.00 0.00 H new ATOM 711 N ASN A 48 1.983 -6.727 -14.505 1.00 0.00 N ATOM 712 CA ASN A 48 0.986 -5.815 -15.112 1.00 0.00 C ATOM 713 C ASN A 48 1.542 -4.415 -15.419 1.00 0.00 C ATOM 714 O ASN A 48 0.823 -3.418 -15.322 1.00 0.00 O ATOM 715 CB ASN A 48 -0.279 -5.716 -14.247 1.00 0.00 C ATOM 716 CG ASN A 48 -1.108 -6.991 -14.253 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.929 -7.209 -15.148 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.917 -7.832 -13.252 1.00 0.00 N ATOM 0 H ASN A 48 2.131 -7.584 -15.038 1.00 0.00 H new ATOM 0 HA ASN A 48 0.724 -6.261 -16.072 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.007 -5.481 -13.222 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.893 -4.889 -14.605 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.458 -8.696 -13.201 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.229 -7.618 -12.530 1.00 0.00 H new ATOM 725 N GLU A 49 2.799 -4.346 -15.811 1.00 0.00 N ATOM 726 CA GLU A 49 3.399 -3.086 -16.240 1.00 0.00 C ATOM 727 C GLU A 49 3.305 -2.958 -17.748 1.00 0.00 C ATOM 728 O GLU A 49 3.335 -3.958 -18.459 1.00 0.00 O ATOM 729 CB GLU A 49 4.857 -2.982 -15.781 1.00 0.00 C ATOM 730 CG GLU A 49 5.027 -2.754 -14.291 1.00 0.00 C ATOM 731 CD GLU A 49 4.557 -1.384 -13.864 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.098 -0.382 -14.367 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.661 -1.287 -13.010 1.00 0.00 O ATOM 0 H GLU A 49 3.431 -5.146 -15.843 1.00 0.00 H new ATOM 0 HA GLU A 49 2.847 -2.267 -15.778 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.379 -3.898 -16.059 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.338 -2.165 -16.319 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.470 -3.514 -13.743 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.077 -2.875 -14.025 1.00 0.00 H new ATOM 740 N ILE A 50 3.179 -1.734 -18.231 1.00 0.00 N ATOM 741 CA ILE A 50 3.027 -1.489 -19.658 1.00 0.00 C ATOM 742 C ILE A 50 4.314 -1.886 -20.375 1.00 0.00 C ATOM 743 O ILE A 50 5.390 -1.369 -20.075 1.00 0.00 O ATOM 744 CB ILE A 50 2.712 0.005 -19.939 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.416 0.432 -19.230 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.614 0.275 -21.438 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.183 -0.336 -19.661 1.00 0.00 C ATOM 0 H ILE A 50 3.179 -0.892 -17.656 1.00 0.00 H new ATOM 0 HA ILE A 50 2.193 -2.087 -20.027 1.00 0.00 H new ATOM 0 HB ILE A 50 3.535 0.599 -19.541 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.548 0.310 -18.155 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.250 1.494 -19.412 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.393 1.329 -21.604 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.561 0.023 -21.916 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.818 -0.335 -21.866 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.684 0.030 -19.111 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.021 -0.194 -20.730 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.324 -1.397 -19.453 1.00 0.00 H new ATOM 759 N LEU A 51 4.196 -2.806 -21.306 1.00 0.00 N ATOM 760 CA LEU A 51 5.348 -3.342 -21.978 1.00 0.00 C ATOM 761 C LEU A 51 5.222 -3.127 -23.480 1.00 0.00 C ATOM 762 O LEU A 51 4.208 -3.478 -24.087 1.00 0.00 O ATOM 763 CB LEU A 51 5.518 -4.835 -21.607 1.00 0.00 C ATOM 764 CG LEU A 51 6.829 -5.545 -22.019 1.00 0.00 C ATOM 765 CD1 LEU A 51 6.845 -5.896 -23.491 1.00 0.00 C ATOM 766 CD2 LEU A 51 8.038 -4.698 -21.661 1.00 0.00 C ATOM 0 H LEU A 51 3.306 -3.198 -21.613 1.00 0.00 H new ATOM 0 HA LEU A 51 6.247 -2.819 -21.654 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.417 -4.923 -20.525 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.688 -5.385 -22.050 1.00 0.00 H new ATOM 0 HG LEU A 51 6.878 -6.479 -21.459 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.784 -6.393 -23.736 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.012 -6.563 -23.715 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.751 -4.986 -24.083 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.948 -5.218 -21.960 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.979 -3.742 -22.181 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.056 -4.526 -20.585 1.00 0.00 H new ATOM 778 N LEU A 52 6.243 -2.539 -24.065 1.00 0.00 N ATOM 779 CA LEU A 52 6.260 -2.266 -25.488 1.00 0.00 C ATOM 780 C LEU A 52 7.205 -3.232 -26.177 1.00 0.00 C ATOM 781 O LEU A 52 8.187 -3.675 -25.581 1.00 0.00 O ATOM 782 CB LEU A 52 6.688 -0.812 -25.786 1.00 0.00 C ATOM 783 CG LEU A 52 5.793 0.332 -25.260 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.358 0.159 -25.709 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.883 0.490 -23.748 1.00 0.00 C ATOM 0 H LEU A 52 7.083 -2.237 -23.571 1.00 0.00 H new ATOM 0 HA LEU A 52 5.248 -2.398 -25.870 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.688 -0.668 -25.377 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.768 -0.703 -26.868 1.00 0.00 H new ATOM 0 HG LEU A 52 6.174 1.255 -25.697 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.754 0.980 -25.322 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.315 0.159 -26.798 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.970 -0.786 -25.330 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.236 1.307 -23.428 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.565 -0.435 -23.266 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.912 0.711 -23.466 1.00 0.00 H new ATOM 797 N GLU A 53 6.918 -3.546 -27.424 1.00 0.00 N ATOM 798 CA GLU A 53 7.695 -4.521 -28.184 1.00 0.00 C ATOM 799 C GLU A 53 9.128 -4.043 -28.410 1.00 0.00 C ATOM 800 O GLU A 53 10.072 -4.833 -28.361 1.00 0.00 O ATOM 801 CB GLU A 53 6.993 -4.831 -29.504 1.00 0.00 C ATOM 802 CG GLU A 53 5.691 -5.592 -29.311 1.00 0.00 C ATOM 803 CD GLU A 53 4.929 -5.824 -30.591 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.429 -6.558 -31.472 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.809 -5.282 -30.719 1.00 0.00 O ATOM 0 H GLU A 53 6.142 -3.137 -27.944 1.00 0.00 H new ATOM 0 HA GLU A 53 7.759 -5.441 -27.602 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.790 -3.898 -30.030 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.660 -5.415 -30.137 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.908 -6.555 -28.848 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.058 -5.040 -28.616 1.00 0.00 H new ATOM 812 N ASN A 54 9.278 -2.750 -28.650 1.00 0.00 N ATOM 813 CA ASN A 54 10.596 -2.124 -28.810 1.00 0.00 C ATOM 814 C ASN A 54 11.380 -2.168 -27.501 1.00 0.00 C ATOM 815 O ASN A 54 12.605 -2.183 -27.496 1.00 0.00 O ATOM 816 CB ASN A 54 10.468 -0.670 -29.290 1.00 0.00 C ATOM 817 CG ASN A 54 9.973 -0.555 -30.719 1.00 0.00 C ATOM 818 OD1 ASN A 54 10.137 -1.472 -31.527 1.00 0.00 O ATOM 819 ND2 ASN A 54 9.361 0.570 -31.040 1.00 0.00 N ATOM 0 H ASN A 54 8.497 -2.100 -28.740 1.00 0.00 H new ATOM 0 HA ASN A 54 11.137 -2.692 -29.567 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.784 -0.135 -28.631 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.438 -0.180 -29.208 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.004 0.704 -31.986 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.245 1.305 -30.342 1.00 0.00 H new ATOM 826 N GLN A 55 10.649 -2.194 -26.396 1.00 0.00 N ATOM 827 CA GLN A 55 11.219 -2.120 -25.051 1.00 0.00 C ATOM 828 C GLN A 55 11.917 -3.390 -24.588 1.00 0.00 C ATOM 829 O GLN A 55 12.544 -3.390 -23.537 1.00 0.00 O ATOM 830 CB GLN A 55 10.171 -1.682 -24.034 1.00 0.00 C ATOM 831 CG GLN A 55 9.797 -0.224 -24.149 1.00 0.00 C ATOM 832 CD GLN A 55 10.948 0.679 -23.785 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.750 1.063 -24.639 1.00 0.00 O ATOM 834 NE2 GLN A 55 11.050 1.009 -22.523 1.00 0.00 N ATOM 0 H GLN A 55 9.632 -2.268 -26.404 1.00 0.00 H new ATOM 0 HA GLN A 55 12.001 -1.364 -25.117 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.276 -2.290 -24.161 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.547 -1.875 -23.029 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.476 -0.010 -25.168 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.949 -0.014 -23.497 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.364 0.669 -21.850 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.816 1.607 -22.212 1.00 0.00 H new ATOM 843 N LEU A 56 11.800 -4.467 -25.340 1.00 0.00 N ATOM 844 CA LEU A 56 12.459 -5.704 -24.949 1.00 0.00 C ATOM 845 C LEU A 56 13.967 -5.566 -25.101 1.00 0.00 C ATOM 846 O LEU A 56 14.452 -4.998 -26.084 1.00 0.00 O ATOM 847 CB LEU A 56 11.952 -6.880 -25.782 1.00 0.00 C ATOM 848 CG LEU A 56 10.474 -7.223 -25.624 1.00 0.00 C ATOM 849 CD1 LEU A 56 10.095 -8.352 -26.560 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.165 -7.603 -24.184 1.00 0.00 C ATOM 0 H LEU A 56 11.267 -4.515 -26.208 1.00 0.00 H new ATOM 0 HA LEU A 56 12.223 -5.900 -23.903 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.144 -6.665 -26.833 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.539 -7.762 -25.525 1.00 0.00 H new ATOM 0 HG LEU A 56 9.885 -6.343 -25.881 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.038 -8.587 -26.437 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.282 -8.049 -27.590 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.692 -9.234 -26.327 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.106 -7.844 -24.091 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.761 -8.470 -23.901 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.406 -6.767 -23.527 1.00 0.00 H new