USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=12 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 153:sc= 0.233 USER MOD Set 1.2: A 44 CYS SG : rot 101:sc= 0.223! USER MOD Set 2.1: A 22 THR OG1 : rot -72:sc= 1.28 USER MOD Set 2.2: A 26 HIS : no HE2:sc= -1.63 K(o=-0.35,f=-1.9) USER MOD Set 3.1: A 9 CYS SG : rot -159:sc= -0.38 USER MOD Set 3.2: A 12 CYS SG : rot -71:sc= -0.674 USER MOD Set 3.3: A 14 MET CE :methyl 149:sc= -1.23 (180deg=-1.95!) USER MOD Set 3.4: A 29 CYS SG : rot 180:sc= 1.48 USER MOD Set 3.5: A 32 CYS SG : rot 126:sc= -0.974! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0402 (180deg=-0.243) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 93:sc= 1.25 USER MOD Single : A 42 HIS : no HD1:sc= -0.174! C(o=-0.17!,f=-5.5!) USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.0168 (180deg=-0.171) USER MOD Single : A 48 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.012) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 55 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 14.195 -18.152 -16.050 1.00 0.00 N ATOM 105 CA GLU A 8 13.186 -18.990 -16.623 1.00 0.00 C ATOM 106 C GLU A 8 12.029 -18.108 -17.009 1.00 0.00 C ATOM 107 O GLU A 8 11.572 -17.318 -16.190 1.00 0.00 O ATOM 108 CB GLU A 8 12.714 -19.978 -15.561 1.00 0.00 C ATOM 109 CG GLU A 8 11.711 -21.014 -16.032 1.00 0.00 C ATOM 110 CD GLU A 8 11.219 -21.869 -14.889 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.281 -21.447 -14.189 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.769 -22.966 -14.669 1.00 0.00 O ATOM 0 HA GLU A 8 13.570 -19.530 -17.489 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.585 -20.497 -15.160 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.271 -19.416 -14.739 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.865 -20.514 -16.504 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.170 -21.648 -16.790 1.00 0.00 H new ATOM 119 N CYS A 9 11.571 -18.229 -18.233 1.00 0.00 N ATOM 120 CA CYS A 9 10.436 -17.475 -18.713 1.00 0.00 C ATOM 121 C CYS A 9 9.181 -17.924 -17.977 1.00 0.00 C ATOM 122 O CYS A 9 8.734 -19.055 -18.151 1.00 0.00 O ATOM 123 CB CYS A 9 10.303 -17.711 -20.216 1.00 0.00 C ATOM 124 SG CYS A 9 8.803 -17.054 -21.029 1.00 0.00 S ATOM 0 H CYS A 9 11.977 -18.856 -18.927 1.00 0.00 H new ATOM 0 HA CYS A 9 10.574 -16.410 -18.528 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.173 -17.274 -20.706 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.343 -18.785 -20.395 1.00 0.00 H new ATOM 0 HG CYS A 9 8.607 -17.682 -22.150 1.00 0.00 H new ATOM 129 N PRO A 10 8.600 -17.049 -17.130 1.00 0.00 N ATOM 130 CA PRO A 10 7.423 -17.393 -16.313 1.00 0.00 C ATOM 131 C PRO A 10 6.206 -17.755 -17.166 1.00 0.00 C ATOM 132 O PRO A 10 5.281 -18.407 -16.691 1.00 0.00 O ATOM 133 CB PRO A 10 7.143 -16.101 -15.529 1.00 0.00 C ATOM 134 CG PRO A 10 8.435 -15.362 -15.546 1.00 0.00 C ATOM 135 CD PRO A 10 9.059 -15.670 -16.872 1.00 0.00 C ATOM 0 HA PRO A 10 7.609 -18.265 -15.686 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.348 -15.519 -15.995 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.824 -16.318 -14.510 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.275 -14.290 -15.428 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.079 -15.680 -14.726 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.726 -14.980 -17.647 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.146 -15.605 -16.833 1.00 0.00 H new ATOM 143 N ILE A 11 6.214 -17.326 -18.421 1.00 0.00 N ATOM 144 CA ILE A 11 5.132 -17.635 -19.342 1.00 0.00 C ATOM 145 C ILE A 11 5.070 -19.133 -19.661 1.00 0.00 C ATOM 146 O ILE A 11 4.000 -19.728 -19.667 1.00 0.00 O ATOM 147 CB ILE A 11 5.227 -16.798 -20.642 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.977 -15.321 -20.332 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.244 -17.299 -21.693 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.242 -14.396 -21.497 1.00 0.00 C ATOM 0 H ILE A 11 6.961 -16.761 -18.824 1.00 0.00 H new ATOM 0 HA ILE A 11 4.204 -17.363 -18.840 1.00 0.00 H new ATOM 0 HB ILE A 11 6.232 -16.909 -21.049 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.943 -15.198 -20.011 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.608 -15.024 -19.494 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.334 -16.692 -22.594 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.466 -18.339 -21.932 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.228 -17.225 -21.306 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.042 -13.367 -21.198 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.283 -14.488 -21.805 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.592 -14.664 -22.330 1.00 0.00 H new ATOM 162 N CYS A 12 6.223 -19.739 -19.910 1.00 0.00 N ATOM 163 CA CYS A 12 6.256 -21.140 -20.298 1.00 0.00 C ATOM 164 C CYS A 12 6.741 -22.036 -19.161 1.00 0.00 C ATOM 165 O CYS A 12 6.508 -23.252 -19.176 1.00 0.00 O ATOM 166 CB CYS A 12 7.119 -21.326 -21.547 1.00 0.00 C ATOM 167 SG CYS A 12 8.823 -20.693 -21.395 1.00 0.00 S ATOM 0 H CYS A 12 7.136 -19.288 -19.851 1.00 0.00 H new ATOM 0 HA CYS A 12 5.235 -21.443 -20.530 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.160 -22.388 -21.789 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.634 -20.827 -22.386 1.00 0.00 H new ATOM 0 HG CYS A 12 8.803 -19.393 -21.374 1.00 0.00 H new ATOM 172 N LEU A 13 7.414 -21.423 -18.184 1.00 0.00 N ATOM 173 CA LEU A 13 7.972 -22.114 -17.015 1.00 0.00 C ATOM 174 C LEU A 13 8.943 -23.235 -17.411 1.00 0.00 C ATOM 175 O LEU A 13 9.187 -24.166 -16.636 1.00 0.00 O ATOM 176 CB LEU A 13 6.844 -22.667 -16.130 1.00 0.00 C ATOM 177 CG LEU A 13 5.906 -21.627 -15.505 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.784 -22.316 -14.734 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.680 -20.679 -14.592 1.00 0.00 C ATOM 0 H LEU A 13 7.590 -20.418 -18.181 1.00 0.00 H new ATOM 0 HA LEU A 13 8.543 -21.379 -16.448 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.245 -23.354 -16.727 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.293 -23.251 -15.327 1.00 0.00 H new ATOM 0 HG LEU A 13 5.463 -21.039 -16.309 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.128 -21.564 -14.297 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.211 -22.948 -15.413 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.211 -22.930 -13.941 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.995 -19.950 -14.160 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.154 -21.249 -13.793 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.444 -20.160 -15.170 1.00 0.00 H new ATOM 191 N MET A 14 9.505 -23.132 -18.611 1.00 0.00 N ATOM 192 CA MET A 14 10.499 -24.089 -19.074 1.00 0.00 C ATOM 193 C MET A 14 11.903 -23.560 -18.820 1.00 0.00 C ATOM 194 O MET A 14 12.665 -24.118 -18.028 1.00 0.00 O ATOM 195 CB MET A 14 10.337 -24.372 -20.571 1.00 0.00 C ATOM 196 CG MET A 14 9.031 -25.039 -20.957 1.00 0.00 C ATOM 197 SD MET A 14 8.962 -25.464 -22.713 1.00 0.00 S ATOM 198 CE MET A 14 9.001 -23.845 -23.479 1.00 0.00 C ATOM 0 H MET A 14 9.287 -22.394 -19.280 1.00 0.00 H new ATOM 0 HA MET A 14 10.348 -25.015 -18.519 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.422 -23.431 -21.115 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.162 -25.005 -20.898 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.899 -25.943 -20.362 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.202 -24.374 -20.715 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.499 -23.912 -24.446 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.982 -23.485 -23.620 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.546 -23.152 -22.838 1.00 0.00 H new ATOM 208 N ALA A 15 12.224 -22.465 -19.486 1.00 0.00 N ATOM 209 CA ALA A 15 13.549 -21.871 -19.468 1.00 0.00 C ATOM 210 C ALA A 15 13.478 -20.560 -20.221 1.00 0.00 C ATOM 211 O ALA A 15 12.385 -20.052 -20.459 1.00 0.00 O ATOM 212 CB ALA A 15 14.542 -22.806 -20.156 1.00 0.00 C ATOM 0 H ALA A 15 11.558 -21.954 -20.066 1.00 0.00 H new ATOM 0 HA ALA A 15 13.879 -21.706 -18.443 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.535 -22.357 -20.141 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.567 -23.761 -19.630 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.233 -22.968 -21.189 1.00 0.00 H new ATOM 218 N LEU A 16 14.615 -20.007 -20.577 1.00 0.00 N ATOM 219 CA LEU A 16 14.648 -18.857 -21.463 1.00 0.00 C ATOM 220 C LEU A 16 15.072 -19.312 -22.843 1.00 0.00 C ATOM 221 O LEU A 16 16.102 -19.965 -22.998 1.00 0.00 O ATOM 222 CB LEU A 16 15.624 -17.793 -20.951 1.00 0.00 C ATOM 223 CG LEU A 16 15.307 -17.163 -19.593 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.397 -16.186 -19.207 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.968 -16.451 -19.639 1.00 0.00 C ATOM 0 H LEU A 16 15.531 -20.332 -20.269 1.00 0.00 H new ATOM 0 HA LEU A 16 13.653 -18.414 -21.499 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.616 -18.241 -20.894 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.676 -16.995 -21.692 1.00 0.00 H new ATOM 0 HG LEU A 16 15.257 -17.955 -18.846 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.162 -15.743 -18.239 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.350 -16.711 -19.144 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.464 -15.400 -19.959 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.758 -16.008 -18.665 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.999 -15.666 -20.395 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.184 -17.166 -19.890 1.00 0.00 H new ATOM 237 N ARG A 17 14.275 -18.990 -23.840 1.00 0.00 N ATOM 238 CA ARG A 17 14.604 -19.359 -25.198 1.00 0.00 C ATOM 239 C ARG A 17 15.627 -18.382 -25.782 1.00 0.00 C ATOM 240 O ARG A 17 16.792 -18.725 -25.927 1.00 0.00 O ATOM 241 CB ARG A 17 13.333 -19.421 -26.054 1.00 0.00 C ATOM 242 CG ARG A 17 13.558 -19.792 -27.506 1.00 0.00 C ATOM 243 CD ARG A 17 14.056 -21.211 -27.666 1.00 0.00 C ATOM 244 NE ARG A 17 14.286 -21.533 -29.072 1.00 0.00 N ATOM 245 CZ ARG A 17 14.771 -22.686 -29.520 1.00 0.00 C ATOM 246 NH1 ARG A 17 15.026 -23.680 -28.675 1.00 0.00 N ATOM 247 NH2 ARG A 17 14.981 -22.847 -30.816 1.00 0.00 N ATOM 0 H ARG A 17 13.400 -18.476 -23.736 1.00 0.00 H new ATOM 0 HA ARG A 17 15.055 -20.351 -25.198 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.649 -20.145 -25.611 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.839 -18.450 -26.015 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.626 -19.672 -28.058 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.280 -19.104 -27.947 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.981 -21.340 -27.104 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.328 -21.905 -27.245 1.00 0.00 H new ATOM 0 HE ARG A 17 14.057 -20.818 -29.763 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.849 -23.560 -27.678 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.398 -24.563 -29.024 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.771 -22.089 -31.465 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.353 -23.730 -31.167 1.00 0.00 H new ATOM 261 N GLU A 18 15.194 -17.170 -26.100 1.00 0.00 N ATOM 262 CA GLU A 18 16.106 -16.150 -26.617 1.00 0.00 C ATOM 263 C GLU A 18 16.564 -15.252 -25.485 1.00 0.00 C ATOM 264 O GLU A 18 17.556 -14.531 -25.617 1.00 0.00 O ATOM 265 CB GLU A 18 15.420 -15.274 -27.671 1.00 0.00 C ATOM 266 CG GLU A 18 14.792 -16.019 -28.844 1.00 0.00 C ATOM 267 CD GLU A 18 13.408 -16.555 -28.525 1.00 0.00 C ATOM 268 OE1 GLU A 18 12.971 -16.443 -27.353 1.00 0.00 O ATOM 269 OE2 GLU A 18 12.748 -17.077 -29.438 1.00 0.00 O ATOM 0 H GLU A 18 14.224 -16.867 -26.011 1.00 0.00 H new ATOM 0 HA GLU A 18 16.953 -16.664 -27.071 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.644 -14.687 -27.180 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.153 -14.569 -28.063 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.729 -15.350 -29.702 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.440 -16.847 -29.132 1.00 0.00 H new ATOM 276 N ALA A 19 15.829 -15.314 -24.371 1.00 0.00 N ATOM 277 CA ALA A 19 16.092 -14.520 -23.167 1.00 0.00 C ATOM 278 C ALA A 19 15.958 -13.006 -23.403 1.00 0.00 C ATOM 279 O ALA A 19 16.921 -12.329 -23.772 1.00 0.00 O ATOM 280 CB ALA A 19 17.446 -14.863 -22.565 1.00 0.00 C ATOM 0 H ALA A 19 15.020 -15.928 -24.279 1.00 0.00 H new ATOM 0 HA ALA A 19 15.318 -14.790 -22.449 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.612 -14.258 -21.674 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.467 -15.919 -22.296 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.230 -14.658 -23.294 1.00 0.00 H new ATOM 286 N VAL A 20 14.760 -12.484 -23.198 1.00 0.00 N ATOM 287 CA VAL A 20 14.528 -11.048 -23.283 1.00 0.00 C ATOM 288 C VAL A 20 14.238 -10.460 -21.918 1.00 0.00 C ATOM 289 O VAL A 20 13.254 -10.816 -21.256 1.00 0.00 O ATOM 290 CB VAL A 20 13.408 -10.648 -24.287 1.00 0.00 C ATOM 291 CG1 VAL A 20 13.843 -10.924 -25.707 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.100 -11.362 -23.990 1.00 0.00 C ATOM 0 H VAL A 20 13.931 -13.033 -22.971 1.00 0.00 H new ATOM 0 HA VAL A 20 15.456 -10.628 -23.671 1.00 0.00 H new ATOM 0 HB VAL A 20 13.235 -9.578 -24.170 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.046 -10.638 -26.394 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.740 -10.347 -25.931 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.057 -11.987 -25.822 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.345 -11.055 -24.714 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.250 -12.439 -24.058 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.765 -11.105 -22.985 1.00 0.00 H new ATOM 302 N GLN A 21 15.121 -9.607 -21.474 1.00 0.00 N ATOM 303 CA GLN A 21 14.940 -8.922 -20.226 1.00 0.00 C ATOM 304 C GLN A 21 14.034 -7.709 -20.432 1.00 0.00 C ATOM 305 O GLN A 21 14.197 -6.961 -21.396 1.00 0.00 O ATOM 306 CB GLN A 21 16.289 -8.539 -19.627 1.00 0.00 C ATOM 307 CG GLN A 21 16.206 -7.983 -18.217 1.00 0.00 C ATOM 308 CD GLN A 21 17.567 -7.741 -17.626 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.160 -8.629 -17.027 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.071 -6.550 -17.788 1.00 0.00 N ATOM 0 H GLN A 21 15.982 -9.369 -21.966 1.00 0.00 H new ATOM 0 HA GLN A 21 14.452 -9.585 -19.512 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.935 -9.417 -19.622 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.763 -7.798 -20.271 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.644 -7.049 -18.228 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.655 -8.679 -17.585 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.544 -5.838 -18.294 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.992 -6.330 -17.409 1.00 0.00 H new ATOM 319 N THR A 22 13.071 -7.545 -19.565 1.00 0.00 N ATOM 320 CA THR A 22 12.149 -6.425 -19.633 1.00 0.00 C ATOM 321 C THR A 22 12.669 -5.277 -18.759 1.00 0.00 C ATOM 322 O THR A 22 13.570 -5.496 -17.942 1.00 0.00 O ATOM 323 CB THR A 22 10.753 -6.867 -19.139 1.00 0.00 C ATOM 324 OG1 THR A 22 10.872 -7.465 -17.844 1.00 0.00 O ATOM 325 CG2 THR A 22 10.148 -7.877 -20.098 1.00 0.00 C ATOM 0 H THR A 22 12.897 -8.181 -18.787 1.00 0.00 H new ATOM 0 HA THR A 22 12.071 -6.085 -20.666 1.00 0.00 H new ATOM 0 HB THR A 22 10.107 -5.991 -19.088 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.298 -8.343 -17.927 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.165 -8.179 -19.736 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.049 -7.427 -21.086 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.795 -8.752 -20.161 1.00 0.00 H new ATOM 333 N PRO A 23 12.136 -4.039 -18.914 1.00 0.00 N ATOM 334 CA PRO A 23 12.536 -2.898 -18.064 1.00 0.00 C ATOM 335 C PRO A 23 12.212 -3.138 -16.584 1.00 0.00 C ATOM 336 O PRO A 23 12.868 -2.593 -15.700 1.00 0.00 O ATOM 337 CB PRO A 23 11.718 -1.719 -18.624 1.00 0.00 C ATOM 338 CG PRO A 23 10.579 -2.368 -19.340 1.00 0.00 C ATOM 339 CD PRO A 23 11.149 -3.626 -19.934 1.00 0.00 C ATOM 0 HA PRO A 23 13.612 -2.725 -18.092 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.366 -1.065 -17.827 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.315 -1.106 -19.299 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.761 -2.592 -18.656 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.177 -1.714 -20.114 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.383 -4.386 -20.089 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.617 -3.443 -20.901 1.00 0.00 H new ATOM 347 N CYS A 24 11.205 -3.971 -16.323 1.00 0.00 N ATOM 348 CA CYS A 24 10.853 -4.339 -14.956 1.00 0.00 C ATOM 349 C CYS A 24 11.927 -5.243 -14.352 1.00 0.00 C ATOM 350 O CYS A 24 12.138 -5.257 -13.138 1.00 0.00 O ATOM 351 CB CYS A 24 9.531 -5.085 -14.944 1.00 0.00 C ATOM 352 SG CYS A 24 8.168 -4.261 -15.814 1.00 0.00 S ATOM 0 H CYS A 24 10.621 -4.402 -17.040 1.00 0.00 H new ATOM 0 HA CYS A 24 10.772 -3.425 -14.368 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.683 -6.068 -15.390 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.234 -5.247 -13.908 1.00 0.00 H new ATOM 0 HG CYS A 24 7.318 -5.152 -16.231 1.00 0.00 H new ATOM 357 N GLY A 25 12.604 -5.989 -15.210 1.00 0.00 N ATOM 358 CA GLY A 25 13.606 -6.911 -14.742 1.00 0.00 C ATOM 359 C GLY A 25 13.163 -8.360 -14.830 1.00 0.00 C ATOM 360 O GLY A 25 13.832 -9.249 -14.302 1.00 0.00 O ATOM 0 H GLY A 25 12.475 -5.970 -16.222 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.516 -6.778 -15.327 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.855 -6.675 -13.707 1.00 0.00 H new ATOM 364 N HIS A 26 12.035 -8.611 -15.494 1.00 0.00 N ATOM 365 CA HIS A 26 11.574 -9.987 -15.692 1.00 0.00 C ATOM 366 C HIS A 26 12.213 -10.493 -16.961 1.00 0.00 C ATOM 367 O HIS A 26 12.392 -9.719 -17.911 1.00 0.00 O ATOM 368 CB HIS A 26 10.056 -10.088 -15.917 1.00 0.00 C ATOM 369 CG HIS A 26 9.179 -9.202 -15.091 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.997 -9.338 -13.731 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.407 -8.162 -15.469 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.150 -8.414 -13.308 1.00 0.00 C ATOM 373 NE2 HIS A 26 7.775 -7.687 -14.353 1.00 0.00 N ATOM 0 H HIS A 26 11.432 -7.894 -15.898 1.00 0.00 H new ATOM 0 HA HIS A 26 11.835 -10.552 -14.797 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.856 -9.876 -16.967 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.757 -11.121 -15.738 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.445 -10.041 -13.143 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.306 -7.774 -16.472 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.821 -8.275 -12.289 1.00 0.00 H new ATOM 380 N ARG A 27 12.559 -11.744 -16.999 1.00 0.00 N ATOM 381 CA ARG A 27 13.100 -12.318 -18.208 1.00 0.00 C ATOM 382 C ARG A 27 12.132 -13.323 -18.813 1.00 0.00 C ATOM 383 O ARG A 27 11.609 -14.197 -18.123 1.00 0.00 O ATOM 384 CB ARG A 27 14.465 -12.921 -17.925 1.00 0.00 C ATOM 385 CG ARG A 27 15.491 -11.854 -17.574 1.00 0.00 C ATOM 386 CD ARG A 27 16.815 -12.441 -17.160 1.00 0.00 C ATOM 387 NE ARG A 27 16.719 -13.113 -15.864 1.00 0.00 N ATOM 388 CZ ARG A 27 17.719 -13.759 -15.279 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.896 -13.860 -15.881 1.00 0.00 N ATOM 390 NH2 ARG A 27 17.543 -14.305 -14.085 1.00 0.00 N ATOM 0 H ARG A 27 12.480 -12.390 -16.214 1.00 0.00 H new ATOM 0 HA ARG A 27 13.234 -11.533 -18.952 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.385 -13.633 -17.103 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.804 -13.479 -18.798 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.640 -11.201 -18.434 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.104 -11.234 -16.766 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.152 -13.151 -17.915 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.564 -11.651 -17.107 1.00 0.00 H new ATOM 0 HE ARG A 27 15.823 -13.083 -15.378 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.037 -13.440 -16.800 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.661 -14.358 -15.426 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.640 -14.228 -13.617 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.311 -14.802 -13.633 1.00 0.00 H new ATOM 404 N PHE A 28 11.889 -13.177 -20.100 1.00 0.00 N ATOM 405 CA PHE A 28 10.949 -14.016 -20.834 1.00 0.00 C ATOM 406 C PHE A 28 11.612 -14.493 -22.113 1.00 0.00 C ATOM 407 O PHE A 28 12.725 -14.074 -22.433 1.00 0.00 O ATOM 408 CB PHE A 28 9.681 -13.228 -21.224 1.00 0.00 C ATOM 409 CG PHE A 28 8.849 -12.693 -20.086 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.940 -13.501 -19.432 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.968 -11.370 -19.686 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.164 -13.008 -18.399 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.191 -10.870 -18.657 1.00 0.00 C ATOM 414 CZ PHE A 28 7.289 -11.694 -18.012 1.00 0.00 C ATOM 0 H PHE A 28 12.341 -12.467 -20.676 1.00 0.00 H new ATOM 0 HA PHE A 28 10.668 -14.851 -20.193 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.980 -12.389 -21.853 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.050 -13.875 -21.834 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.834 -14.533 -19.732 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.675 -10.723 -20.184 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.460 -13.655 -17.896 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.289 -9.837 -18.358 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.683 -11.307 -17.206 1.00 0.00 H new ATOM 424 N CYS A 29 10.957 -15.381 -22.825 1.00 0.00 N ATOM 425 CA CYS A 29 11.408 -15.748 -24.150 1.00 0.00 C ATOM 426 C CYS A 29 10.890 -14.714 -25.142 1.00 0.00 C ATOM 427 O CYS A 29 9.808 -14.151 -24.950 1.00 0.00 O ATOM 428 CB CYS A 29 10.884 -17.123 -24.536 1.00 0.00 C ATOM 429 SG CYS A 29 11.297 -18.451 -23.362 1.00 0.00 S ATOM 0 H CYS A 29 10.114 -15.861 -22.512 1.00 0.00 H new ATOM 0 HA CYS A 29 12.497 -15.779 -24.162 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.800 -17.069 -24.636 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.282 -17.386 -25.516 1.00 0.00 H new ATOM 0 HG CYS A 29 10.801 -19.575 -23.787 1.00 0.00 H new ATOM 434 N LYS A 30 11.631 -14.507 -26.212 1.00 0.00 N ATOM 435 CA LYS A 30 11.320 -13.490 -27.213 1.00 0.00 C ATOM 436 C LYS A 30 10.106 -13.908 -28.041 1.00 0.00 C ATOM 437 O LYS A 30 9.554 -13.126 -28.804 1.00 0.00 O ATOM 438 CB LYS A 30 12.542 -13.239 -28.119 1.00 0.00 C ATOM 439 CG LYS A 30 12.362 -12.145 -29.163 1.00 0.00 C ATOM 440 CD LYS A 30 13.632 -11.935 -29.974 1.00 0.00 C ATOM 441 CE LYS A 30 13.455 -10.832 -31.007 1.00 0.00 C ATOM 442 NZ LYS A 30 12.370 -11.149 -31.975 1.00 0.00 N ATOM 0 H LYS A 30 12.475 -15.041 -26.419 1.00 0.00 H new ATOM 0 HA LYS A 30 11.077 -12.559 -26.701 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.394 -12.982 -27.490 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.792 -14.169 -28.630 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.542 -12.409 -29.831 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.085 -11.213 -28.671 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.455 -11.681 -29.305 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.904 -12.864 -30.475 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.228 -9.894 -30.501 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.391 -10.685 -31.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.423 -10.495 -32.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.481 -12.126 -32.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.447 -11.048 -31.507 1.00 0.00 H new ATOM 456 N ALA A 31 9.670 -15.126 -27.858 1.00 0.00 N ATOM 457 CA ALA A 31 8.528 -15.611 -28.588 1.00 0.00 C ATOM 458 C ALA A 31 7.375 -15.840 -27.637 1.00 0.00 C ATOM 459 O ALA A 31 6.217 -15.665 -28.007 1.00 0.00 O ATOM 460 CB ALA A 31 8.879 -16.895 -29.315 1.00 0.00 C ATOM 0 H ALA A 31 10.086 -15.798 -27.213 1.00 0.00 H new ATOM 0 HA ALA A 31 8.233 -14.867 -29.327 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.008 -17.252 -29.864 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.695 -16.707 -30.013 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.187 -17.650 -28.592 1.00 0.00 H new ATOM 466 N CYS A 32 7.686 -16.175 -26.393 1.00 0.00 N ATOM 467 CA CYS A 32 6.652 -16.327 -25.391 1.00 0.00 C ATOM 468 C CYS A 32 6.045 -14.982 -25.025 1.00 0.00 C ATOM 469 O CYS A 32 4.824 -14.849 -24.964 1.00 0.00 O ATOM 470 CB CYS A 32 7.179 -17.032 -24.138 1.00 0.00 C ATOM 471 SG CYS A 32 7.878 -18.693 -24.430 1.00 0.00 S ATOM 0 H CYS A 32 8.635 -16.344 -26.060 1.00 0.00 H new ATOM 0 HA CYS A 32 5.872 -16.953 -25.825 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.946 -16.406 -23.681 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.366 -17.117 -23.417 1.00 0.00 H new ATOM 0 HG CYS A 32 9.088 -18.744 -23.957 1.00 0.00 H new ATOM 476 N ILE A 33 6.889 -13.979 -24.797 1.00 0.00 N ATOM 477 CA ILE A 33 6.381 -12.672 -24.408 1.00 0.00 C ATOM 478 C ILE A 33 5.621 -11.998 -25.555 1.00 0.00 C ATOM 479 O ILE A 33 4.548 -11.442 -25.351 1.00 0.00 O ATOM 480 CB ILE A 33 7.480 -11.732 -23.823 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.848 -10.476 -23.204 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.517 -11.344 -24.872 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.943 -10.751 -22.023 1.00 0.00 C ATOM 0 H ILE A 33 7.904 -14.045 -24.873 1.00 0.00 H new ATOM 0 HA ILE A 33 5.676 -12.855 -23.597 1.00 0.00 H new ATOM 0 HB ILE A 33 7.997 -12.288 -23.041 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.644 -9.802 -22.888 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.276 -9.956 -23.972 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.263 -10.689 -24.421 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.004 -12.242 -25.252 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.026 -10.823 -25.694 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.539 -9.811 -21.647 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.124 -11.399 -22.335 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.513 -11.242 -21.234 1.00 0.00 H new ATOM 495 N ILE A 34 6.154 -12.105 -26.766 1.00 0.00 N ATOM 496 CA ILE A 34 5.515 -11.519 -27.933 1.00 0.00 C ATOM 497 C ILE A 34 4.154 -12.151 -28.215 1.00 0.00 C ATOM 498 O ILE A 34 3.181 -11.453 -28.461 1.00 0.00 O ATOM 499 CB ILE A 34 6.431 -11.467 -29.192 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.572 -10.461 -28.953 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.639 -11.089 -30.443 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.610 -10.425 -30.053 1.00 0.00 C ATOM 0 H ILE A 34 7.028 -12.593 -26.963 1.00 0.00 H new ATOM 0 HA ILE A 34 5.334 -10.475 -27.680 1.00 0.00 H new ATOM 0 HB ILE A 34 6.849 -12.460 -29.358 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.145 -9.465 -28.840 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.065 -10.705 -28.012 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.308 -11.062 -31.303 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.857 -11.828 -30.615 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.186 -10.107 -30.304 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.377 -9.691 -29.806 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.068 -11.409 -30.153 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.134 -10.149 -30.994 1.00 0.00 H new ATOM 514 N LYS A 35 4.071 -13.463 -28.099 1.00 0.00 N ATOM 515 CA LYS A 35 2.841 -14.185 -28.405 1.00 0.00 C ATOM 516 C LYS A 35 1.830 -14.028 -27.252 1.00 0.00 C ATOM 517 O LYS A 35 0.688 -14.480 -27.334 1.00 0.00 O ATOM 518 CB LYS A 35 3.184 -15.666 -28.667 1.00 0.00 C ATOM 519 CG LYS A 35 2.003 -16.600 -28.910 1.00 0.00 C ATOM 520 CD LYS A 35 1.228 -16.246 -30.166 1.00 0.00 C ATOM 521 CE LYS A 35 0.117 -17.253 -30.405 1.00 0.00 C ATOM 522 NZ LYS A 35 -0.703 -16.920 -31.587 1.00 0.00 N ATOM 0 H LYS A 35 4.842 -14.057 -27.794 1.00 0.00 H new ATOM 0 HA LYS A 35 2.376 -13.772 -29.300 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.844 -15.716 -29.533 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.748 -16.043 -27.814 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.365 -17.625 -28.988 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.333 -16.563 -28.051 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.806 -15.246 -30.071 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.901 -16.228 -31.023 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.551 -18.244 -30.536 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.523 -17.299 -29.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.447 -17.637 -31.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.141 -15.986 -31.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.100 -16.902 -32.434 1.00 0.00 H new ATOM 536 N SER A 36 2.240 -13.331 -26.204 1.00 0.00 N ATOM 537 CA SER A 36 1.345 -13.027 -25.119 1.00 0.00 C ATOM 538 C SER A 36 0.924 -11.547 -25.157 1.00 0.00 C ATOM 539 O SER A 36 -0.161 -11.187 -24.695 1.00 0.00 O ATOM 540 CB SER A 36 2.006 -13.359 -23.787 1.00 0.00 C ATOM 541 OG SER A 36 2.450 -14.711 -23.774 1.00 0.00 O ATOM 0 H SER A 36 3.187 -12.969 -26.090 1.00 0.00 H new ATOM 0 HA SER A 36 0.448 -13.637 -25.229 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.850 -12.691 -23.617 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.300 -13.194 -22.973 1.00 0.00 H new ATOM 0 HG SER A 36 3.385 -14.751 -24.065 1.00 0.00 H new ATOM 547 N ILE A 37 1.757 -10.688 -25.753 1.00 0.00 N ATOM 548 CA ILE A 37 1.453 -9.258 -25.756 1.00 0.00 C ATOM 549 C ILE A 37 0.923 -8.795 -27.103 1.00 0.00 C ATOM 550 O ILE A 37 0.454 -7.675 -27.235 1.00 0.00 O ATOM 551 CB ILE A 37 2.667 -8.382 -25.356 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.826 -8.581 -26.337 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.100 -8.679 -23.922 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.004 -7.652 -26.108 1.00 0.00 C ATOM 0 H ILE A 37 2.622 -10.949 -26.226 1.00 0.00 H new ATOM 0 HA ILE A 37 0.678 -9.128 -25.001 1.00 0.00 H new ATOM 0 HB ILE A 37 2.365 -7.336 -25.403 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.173 -9.612 -26.268 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.456 -8.437 -27.352 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.954 -8.053 -23.663 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.275 -8.468 -23.242 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.381 -9.729 -23.837 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.780 -7.860 -26.845 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.676 -6.617 -26.208 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.403 -7.811 -25.106 1.00 0.00 H new ATOM 566 N ARG A 38 0.986 -9.659 -28.107 1.00 0.00 N ATOM 567 CA ARG A 38 0.381 -9.336 -29.396 1.00 0.00 C ATOM 568 C ARG A 38 -1.023 -9.906 -29.445 1.00 0.00 C ATOM 569 O ARG A 38 -1.736 -9.776 -30.435 1.00 0.00 O ATOM 570 CB ARG A 38 1.225 -9.849 -30.585 1.00 0.00 C ATOM 571 CG ARG A 38 1.254 -11.365 -30.770 1.00 0.00 C ATOM 572 CD ARG A 38 2.111 -11.752 -31.966 1.00 0.00 C ATOM 573 NE ARG A 38 1.546 -11.282 -33.231 1.00 0.00 N ATOM 574 CZ ARG A 38 2.222 -11.181 -34.379 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.515 -11.501 -34.433 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.611 -10.756 -35.477 1.00 0.00 N ATOM 0 H ARG A 38 1.440 -10.571 -28.059 1.00 0.00 H new ATOM 0 HA ARG A 38 0.341 -8.251 -29.491 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.843 -9.397 -31.500 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.249 -9.497 -30.459 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.646 -11.837 -29.869 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.239 -11.737 -30.910 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.112 -11.338 -31.842 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.216 -12.836 -31.999 1.00 0.00 H new ATOM 0 HE ARG A 38 0.563 -11.011 -33.237 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.995 -11.826 -33.594 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.024 -11.421 -35.313 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.623 -10.505 -35.446 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.129 -10.680 -36.352 1.00 0.00 H new ATOM 590 N ASP A 39 -1.422 -10.515 -28.346 1.00 0.00 N ATOM 591 CA ASP A 39 -2.725 -11.130 -28.256 1.00 0.00 C ATOM 592 C ASP A 39 -3.574 -10.421 -27.217 1.00 0.00 C ATOM 593 O ASP A 39 -4.683 -9.970 -27.512 1.00 0.00 O ATOM 594 CB ASP A 39 -2.594 -12.607 -27.885 1.00 0.00 C ATOM 595 CG ASP A 39 -3.924 -13.325 -27.940 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.311 -13.777 -29.039 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.596 -13.446 -26.897 1.00 0.00 O ATOM 0 H ASP A 39 -0.857 -10.596 -27.501 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.208 -11.048 -29.230 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.892 -13.091 -28.565 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.177 -12.693 -26.882 1.00 0.00 H new ATOM 602 N ALA A 40 -3.055 -10.326 -26.002 1.00 0.00 N ATOM 603 CA ALA A 40 -3.758 -9.649 -24.929 1.00 0.00 C ATOM 604 C ALA A 40 -3.593 -8.136 -25.056 1.00 0.00 C ATOM 605 O ALA A 40 -4.528 -7.425 -25.430 1.00 0.00 O ATOM 606 CB ALA A 40 -3.249 -10.142 -23.581 1.00 0.00 C ATOM 0 H ALA A 40 -2.148 -10.711 -25.737 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.821 -9.879 -25.000 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.782 -9.629 -22.781 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.418 -11.216 -23.499 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.182 -9.935 -23.497 1.00 0.00 H new ATOM 612 N GLY A 41 -2.399 -7.654 -24.771 1.00 0.00 N ATOM 613 CA GLY A 41 -2.132 -6.239 -24.848 1.00 0.00 C ATOM 614 C GLY A 41 -0.695 -5.942 -24.520 1.00 0.00 C ATOM 615 O GLY A 41 0.075 -6.857 -24.228 1.00 0.00 O ATOM 0 H GLY A 41 -1.603 -8.224 -24.485 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.362 -5.876 -25.850 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.784 -5.704 -24.157 1.00 0.00 H new ATOM 619 N HIS A 42 -0.327 -4.677 -24.541 1.00 0.00 N ATOM 620 CA HIS A 42 1.048 -4.287 -24.298 1.00 0.00 C ATOM 621 C HIS A 42 1.322 -4.042 -22.829 1.00 0.00 C ATOM 622 O HIS A 42 1.294 -2.906 -22.355 1.00 0.00 O ATOM 623 CB HIS A 42 1.457 -3.066 -25.130 1.00 0.00 C ATOM 624 CG HIS A 42 1.810 -3.381 -26.545 1.00 0.00 C ATOM 625 ND1 HIS A 42 1.329 -2.676 -27.628 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.636 -4.323 -27.053 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.854 -3.167 -28.733 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.647 -4.163 -28.406 1.00 0.00 N ATOM 0 H HIS A 42 -0.962 -3.900 -24.724 1.00 0.00 H new ATOM 0 HA HIS A 42 1.661 -5.130 -24.616 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.639 -2.345 -25.123 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.311 -2.585 -24.653 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.185 -5.064 -26.491 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.665 -2.812 -29.735 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.186 -4.728 -29.062 1.00 0.00 H new ATOM 637 N LYS A 43 1.548 -5.118 -22.111 1.00 0.00 N ATOM 638 CA LYS A 43 1.927 -5.074 -20.712 1.00 0.00 C ATOM 639 C LYS A 43 2.335 -6.457 -20.249 1.00 0.00 C ATOM 640 O LYS A 43 1.769 -7.451 -20.711 1.00 0.00 O ATOM 641 CB LYS A 43 0.790 -4.505 -19.829 1.00 0.00 C ATOM 642 CG LYS A 43 -0.517 -5.277 -19.877 1.00 0.00 C ATOM 643 CD LYS A 43 -1.562 -4.666 -18.947 1.00 0.00 C ATOM 644 CE LYS A 43 -1.989 -3.273 -19.395 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.650 -3.285 -20.725 1.00 0.00 N ATOM 0 H LYS A 43 1.473 -6.064 -22.485 1.00 0.00 H new ATOM 0 HA LYS A 43 2.777 -4.400 -20.608 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.136 -4.473 -18.796 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.597 -3.476 -20.133 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.898 -5.286 -20.898 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.339 -6.314 -19.594 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.436 -5.317 -18.908 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.159 -4.613 -17.936 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.671 -2.850 -18.657 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.115 -2.622 -19.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.100 -2.363 -20.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.941 -3.467 -21.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.372 -4.033 -20.747 1.00 0.00 H new ATOM 659 N CYS A 44 3.323 -6.534 -19.368 1.00 0.00 N ATOM 660 CA CYS A 44 3.720 -7.810 -18.831 1.00 0.00 C ATOM 661 C CYS A 44 2.648 -8.311 -17.864 1.00 0.00 C ATOM 662 O CYS A 44 2.294 -7.626 -16.894 1.00 0.00 O ATOM 663 CB CYS A 44 5.129 -7.754 -18.189 1.00 0.00 C ATOM 664 SG CYS A 44 5.478 -6.269 -17.200 1.00 0.00 S ATOM 0 H CYS A 44 3.853 -5.735 -19.019 1.00 0.00 H new ATOM 0 HA CYS A 44 3.802 -8.529 -19.646 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.255 -8.631 -17.554 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.874 -7.825 -18.982 1.00 0.00 H new ATOM 0 HG CYS A 44 5.345 -6.547 -15.937 1.00 0.00 H new ATOM 669 N PRO A 45 2.121 -9.518 -18.118 1.00 0.00 N ATOM 670 CA PRO A 45 0.940 -10.043 -17.412 1.00 0.00 C ATOM 671 C PRO A 45 1.158 -10.228 -15.912 1.00 0.00 C ATOM 672 O PRO A 45 0.209 -10.194 -15.132 1.00 0.00 O ATOM 673 CB PRO A 45 0.694 -11.399 -18.097 1.00 0.00 C ATOM 674 CG PRO A 45 2.019 -11.767 -18.674 1.00 0.00 C ATOM 675 CD PRO A 45 2.630 -10.477 -19.119 1.00 0.00 C ATOM 0 HA PRO A 45 0.100 -9.352 -17.474 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.349 -12.148 -17.384 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.069 -11.321 -18.871 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.646 -12.264 -17.933 1.00 0.00 H new ATOM 0 HG3 PRO A 45 1.906 -12.457 -19.510 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.719 -10.523 -19.119 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.322 -10.210 -20.130 1.00 0.00 H new ATOM 683 N VAL A 46 2.404 -10.411 -15.521 1.00 0.00 N ATOM 684 CA VAL A 46 2.741 -10.689 -14.135 1.00 0.00 C ATOM 685 C VAL A 46 2.480 -9.503 -13.183 1.00 0.00 C ATOM 686 O VAL A 46 1.894 -9.688 -12.112 1.00 0.00 O ATOM 687 CB VAL A 46 4.195 -11.214 -13.980 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.350 -12.556 -14.680 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.206 -10.215 -14.533 1.00 0.00 C ATOM 0 H VAL A 46 3.207 -10.372 -16.148 1.00 0.00 H new ATOM 0 HA VAL A 46 2.058 -11.483 -13.832 1.00 0.00 H new ATOM 0 HB VAL A 46 4.392 -11.342 -12.916 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.374 -12.911 -14.563 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.663 -13.278 -14.239 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.125 -12.441 -15.740 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.214 -10.611 -14.410 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.009 -10.046 -15.592 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.118 -9.272 -13.993 1.00 0.00 H new ATOM 699 N ASP A 47 2.910 -8.296 -13.565 1.00 0.00 N ATOM 700 CA ASP A 47 2.762 -7.128 -12.691 1.00 0.00 C ATOM 701 C ASP A 47 2.015 -5.973 -13.360 1.00 0.00 C ATOM 702 O ASP A 47 1.896 -4.888 -12.782 1.00 0.00 O ATOM 703 CB ASP A 47 4.120 -6.652 -12.151 1.00 0.00 C ATOM 704 CG ASP A 47 5.089 -6.193 -13.223 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.793 -6.316 -14.416 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.182 -5.719 -12.883 1.00 0.00 O ATOM 0 H ASP A 47 3.357 -8.103 -14.461 1.00 0.00 H new ATOM 0 HA ASP A 47 2.151 -7.458 -11.851 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.953 -5.832 -11.453 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.578 -7.464 -11.586 1.00 0.00 H new ATOM 711 N ASN A 48 1.490 -6.222 -14.558 1.00 0.00 N ATOM 712 CA ASN A 48 0.692 -5.236 -15.316 1.00 0.00 C ATOM 713 C ASN A 48 1.475 -3.959 -15.663 1.00 0.00 C ATOM 714 O ASN A 48 0.900 -2.864 -15.717 1.00 0.00 O ATOM 715 CB ASN A 48 -0.609 -4.866 -14.574 1.00 0.00 C ATOM 716 CG ASN A 48 -1.647 -5.979 -14.515 1.00 0.00 C ATOM 717 OD1 ASN A 48 -2.431 -6.050 -13.567 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.682 -6.835 -15.522 1.00 0.00 N ATOM 0 H ASN A 48 1.601 -7.114 -15.040 1.00 0.00 H new ATOM 0 HA ASN A 48 0.440 -5.729 -16.255 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.358 -4.567 -13.556 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.054 -3.998 -15.060 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.374 -7.584 -15.530 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.017 -6.746 -16.290 1.00 0.00 H new ATOM 725 N GLU A 49 2.767 -4.094 -15.918 1.00 0.00 N ATOM 726 CA GLU A 49 3.566 -2.947 -16.362 1.00 0.00 C ATOM 727 C GLU A 49 3.570 -2.876 -17.874 1.00 0.00 C ATOM 728 O GLU A 49 3.622 -3.905 -18.541 1.00 0.00 O ATOM 729 CB GLU A 49 4.996 -3.022 -15.823 1.00 0.00 C ATOM 730 CG GLU A 49 5.097 -2.842 -14.317 1.00 0.00 C ATOM 731 CD GLU A 49 4.635 -1.476 -13.873 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.219 -0.465 -14.312 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.675 -1.395 -13.079 1.00 0.00 O ATOM 0 H GLU A 49 3.284 -4.969 -15.829 1.00 0.00 H new ATOM 0 HA GLU A 49 3.112 -2.040 -15.964 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.426 -3.987 -16.093 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.599 -2.256 -16.312 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.498 -3.605 -13.821 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.130 -2.994 -14.003 1.00 0.00 H new ATOM 740 N ILE A 50 3.501 -1.670 -18.417 1.00 0.00 N ATOM 741 CA ILE A 50 3.371 -1.483 -19.859 1.00 0.00 C ATOM 742 C ILE A 50 4.631 -1.955 -20.566 1.00 0.00 C ATOM 743 O ILE A 50 5.731 -1.460 -20.307 1.00 0.00 O ATOM 744 CB ILE A 50 3.052 -0.006 -20.265 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.695 0.462 -19.709 1.00 0.00 C ATOM 746 CG2 ILE A 50 3.065 0.160 -21.780 1.00 0.00 C ATOM 747 CD1 ILE A 50 1.672 0.709 -18.218 1.00 0.00 C ATOM 0 H ILE A 50 3.533 -0.802 -17.881 1.00 0.00 H new ATOM 0 HA ILE A 50 2.519 -2.086 -20.173 1.00 0.00 H new ATOM 0 HB ILE A 50 3.834 0.615 -19.828 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.406 1.381 -20.220 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.941 -0.287 -19.951 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.840 1.196 -22.034 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.050 -0.103 -22.166 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.314 -0.494 -22.224 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.676 1.035 -17.919 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.926 -0.212 -17.693 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.398 1.482 -17.966 1.00 0.00 H new ATOM 759 N LEU A 51 4.462 -2.905 -21.449 1.00 0.00 N ATOM 760 CA LEU A 51 5.576 -3.511 -22.125 1.00 0.00 C ATOM 761 C LEU A 51 5.382 -3.464 -23.628 1.00 0.00 C ATOM 762 O LEU A 51 4.345 -3.869 -24.148 1.00 0.00 O ATOM 763 CB LEU A 51 5.740 -4.951 -21.657 1.00 0.00 C ATOM 764 CG LEU A 51 6.873 -5.753 -22.286 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.220 -5.142 -21.940 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.808 -7.190 -21.814 1.00 0.00 C ATOM 0 H LEU A 51 3.552 -3.278 -21.718 1.00 0.00 H new ATOM 0 HA LEU A 51 6.479 -2.951 -21.882 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.889 -4.942 -20.577 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.805 -5.478 -21.846 1.00 0.00 H new ATOM 0 HG LEU A 51 6.759 -5.729 -23.370 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.015 -5.730 -22.399 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.263 -4.119 -22.315 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.350 -5.138 -20.858 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.620 -7.759 -22.267 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.904 -7.221 -20.729 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.853 -7.626 -22.106 1.00 0.00 H new ATOM 778 N LEU A 52 6.383 -2.973 -24.311 1.00 0.00 N ATOM 779 CA LEU A 52 6.379 -2.909 -25.754 1.00 0.00 C ATOM 780 C LEU A 52 7.426 -3.867 -26.278 1.00 0.00 C ATOM 781 O LEU A 52 8.388 -4.163 -25.569 1.00 0.00 O ATOM 782 CB LEU A 52 6.686 -1.474 -26.261 1.00 0.00 C ATOM 783 CG LEU A 52 5.685 -0.345 -25.923 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.280 -0.687 -26.381 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.714 0.026 -24.446 1.00 0.00 C ATOM 0 H LEU A 52 7.231 -2.603 -23.881 1.00 0.00 H new ATOM 0 HA LEU A 52 5.388 -3.183 -26.116 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.660 -1.184 -25.866 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.782 -1.519 -27.346 1.00 0.00 H new ATOM 0 HG LEU A 52 6.006 0.536 -26.479 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.605 0.130 -26.126 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.276 -0.838 -27.461 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.948 -1.600 -25.886 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.995 0.823 -24.257 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.455 -0.847 -23.846 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.713 0.368 -24.176 1.00 0.00 H new ATOM 797 N GLU A 53 7.249 -4.345 -27.504 1.00 0.00 N ATOM 798 CA GLU A 53 8.216 -5.245 -28.128 1.00 0.00 C ATOM 799 C GLU A 53 9.554 -4.516 -28.252 1.00 0.00 C ATOM 800 O GLU A 53 10.620 -5.099 -28.054 1.00 0.00 O ATOM 801 CB GLU A 53 7.749 -5.688 -29.531 1.00 0.00 C ATOM 802 CG GLU A 53 6.435 -6.473 -29.570 1.00 0.00 C ATOM 803 CD GLU A 53 5.201 -5.582 -29.550 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.337 -4.350 -29.408 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.080 -6.095 -29.692 1.00 0.00 O ATOM 0 H GLU A 53 6.443 -4.124 -28.089 1.00 0.00 H new ATOM 0 HA GLU A 53 8.314 -6.135 -27.506 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.641 -4.801 -30.156 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.532 -6.300 -29.979 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.415 -7.090 -30.468 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.399 -7.151 -28.717 1.00 0.00 H new ATOM 812 N ASN A 54 9.467 -3.231 -28.544 1.00 0.00 N ATOM 813 CA ASN A 54 10.625 -2.352 -28.682 1.00 0.00 C ATOM 814 C ASN A 54 11.388 -2.253 -27.343 1.00 0.00 C ATOM 815 O ASN A 54 12.612 -2.110 -27.317 1.00 0.00 O ATOM 816 CB ASN A 54 10.141 -0.962 -29.132 1.00 0.00 C ATOM 817 CG ASN A 54 11.255 0.046 -29.349 1.00 0.00 C ATOM 818 OD1 ASN A 54 11.671 0.743 -28.426 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.726 0.147 -30.569 1.00 0.00 N ATOM 0 H ASN A 54 8.577 -2.756 -28.695 1.00 0.00 H new ATOM 0 HA ASN A 54 11.308 -2.759 -29.427 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.577 -1.069 -30.059 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.452 -0.570 -28.384 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.463 0.821 -30.777 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.356 -0.449 -31.310 1.00 0.00 H new ATOM 826 N GLN A 55 10.646 -2.371 -26.240 1.00 0.00 N ATOM 827 CA GLN A 55 11.192 -2.244 -24.881 1.00 0.00 C ATOM 828 C GLN A 55 11.938 -3.497 -24.416 1.00 0.00 C ATOM 829 O GLN A 55 12.563 -3.490 -23.362 1.00 0.00 O ATOM 830 CB GLN A 55 10.082 -1.901 -23.877 1.00 0.00 C ATOM 831 CG GLN A 55 9.483 -0.508 -24.025 1.00 0.00 C ATOM 832 CD GLN A 55 10.449 0.609 -23.673 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.665 0.476 -23.808 1.00 0.00 O ATOM 834 NE2 GLN A 55 9.915 1.711 -23.195 1.00 0.00 N ATOM 0 H GLN A 55 9.644 -2.558 -26.261 1.00 0.00 H new ATOM 0 HA GLN A 55 11.916 -1.430 -24.921 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.283 -2.636 -23.978 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.482 -2.002 -22.868 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.145 -0.374 -25.053 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.603 -0.430 -23.387 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.903 1.786 -23.097 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.513 2.491 -22.922 1.00 0.00 H new ATOM 843 N LEU A 56 11.845 -4.572 -25.178 1.00 0.00 N ATOM 844 CA LEU A 56 12.506 -5.816 -24.799 1.00 0.00 C ATOM 845 C LEU A 56 14.012 -5.711 -25.010 1.00 0.00 C ATOM 846 O LEU A 56 14.471 -5.142 -26.004 1.00 0.00 O ATOM 847 CB LEU A 56 11.948 -6.984 -25.623 1.00 0.00 C ATOM 848 CG LEU A 56 10.469 -7.312 -25.416 1.00 0.00 C ATOM 849 CD1 LEU A 56 10.032 -8.406 -26.376 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.213 -7.739 -23.979 1.00 0.00 C ATOM 0 H LEU A 56 11.325 -4.613 -26.055 1.00 0.00 H new ATOM 0 HA LEU A 56 12.312 -5.997 -23.742 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.105 -6.764 -26.679 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.532 -7.875 -25.393 1.00 0.00 H new ATOM 0 HG LEU A 56 9.885 -6.414 -25.619 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.977 -8.629 -26.217 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.182 -8.071 -27.402 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.624 -9.304 -26.198 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.155 -7.968 -23.851 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.807 -8.624 -23.751 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.494 -6.931 -23.304 1.00 0.00 H new