USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 106:sc= 1.7 USER MOD Set 1.2: A 24 CYS SG : rot -167:sc= 2.57 USER MOD Set 1.3: A 26 HIS : no HE2:sc= 0.219 K(o=5.5,f=-0.51!) USER MOD Set 1.4: A 44 CYS SG : rot 141:sc= 0.995 USER MOD Set 2.1: A 9 CYS SG : rot -171:sc= -0.228 USER MOD Set 2.2: A 12 CYS SG : rot -66:sc= 0.71 USER MOD Set 2.3: A 29 CYS SG : rot 132:sc= 0.712 USER MOD Set 2.4: A 32 CYS SG : rot -169:sc= -2.55! USER MOD Single : A 14 MET CE :methyl -115:sc= -0.868 (180deg=-1.62) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 82:sc= 0.416 USER MOD Single : A 42 HIS : no HD1:sc= 0.905 K(o=0.91,f=-4.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0777 F(o=-1.8!,f=-0.078) USER MOD Single : A 54 ASN : amide:sc= -0.0034 X(o=-0.0034,f=-0.0034) USER MOD Single : A 55 GLN : amide:sc= -0.0591 X(o=-0.059,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 12.369 -16.499 -14.893 1.00 0.00 N ATOM 105 CA GLU A 8 11.747 -17.640 -15.513 1.00 0.00 C ATOM 106 C GLU A 8 10.524 -17.169 -16.251 1.00 0.00 C ATOM 107 O GLU A 8 9.769 -16.342 -15.732 1.00 0.00 O ATOM 108 CB GLU A 8 11.375 -18.664 -14.429 1.00 0.00 C ATOM 109 CG GLU A 8 10.840 -19.990 -14.947 1.00 0.00 C ATOM 110 CD GLU A 8 10.553 -20.964 -13.824 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.451 -20.908 -13.235 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.428 -21.797 -13.516 1.00 0.00 O ATOM 0 HA GLU A 8 12.427 -18.119 -16.217 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.257 -18.860 -13.819 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.626 -18.219 -13.774 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.928 -19.815 -15.517 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.564 -20.430 -15.632 1.00 0.00 H new ATOM 119 N CYS A 9 10.349 -17.658 -17.457 1.00 0.00 N ATOM 120 CA CYS A 9 9.241 -17.269 -18.284 1.00 0.00 C ATOM 121 C CYS A 9 8.004 -18.086 -17.909 1.00 0.00 C ATOM 122 O CYS A 9 7.926 -19.280 -18.197 1.00 0.00 O ATOM 123 CB CYS A 9 9.620 -17.486 -19.751 1.00 0.00 C ATOM 124 SG CYS A 9 8.350 -17.023 -20.977 1.00 0.00 S ATOM 0 H CYS A 9 10.975 -18.338 -17.889 1.00 0.00 H new ATOM 0 HA CYS A 9 9.007 -16.215 -18.131 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.525 -16.916 -19.961 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.866 -18.539 -19.891 1.00 0.00 H new ATOM 0 HG CYS A 9 8.719 -17.425 -22.157 1.00 0.00 H new ATOM 129 N PRO A 10 7.020 -17.444 -17.254 1.00 0.00 N ATOM 130 CA PRO A 10 5.805 -18.119 -16.776 1.00 0.00 C ATOM 131 C PRO A 10 4.906 -18.544 -17.926 1.00 0.00 C ATOM 132 O PRO A 10 4.025 -19.386 -17.770 1.00 0.00 O ATOM 133 CB PRO A 10 5.114 -17.042 -15.939 1.00 0.00 C ATOM 134 CG PRO A 10 5.586 -15.762 -16.526 1.00 0.00 C ATOM 135 CD PRO A 10 7.003 -16.005 -16.943 1.00 0.00 C ATOM 0 HA PRO A 10 6.029 -19.032 -16.224 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.029 -17.129 -15.996 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.386 -17.121 -14.886 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.971 -15.472 -17.378 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.525 -14.952 -15.799 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.277 -15.403 -17.809 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.705 -15.757 -16.147 1.00 0.00 H new ATOM 143 N ILE A 11 5.135 -17.951 -19.079 1.00 0.00 N ATOM 144 CA ILE A 11 4.338 -18.211 -20.250 1.00 0.00 C ATOM 145 C ILE A 11 4.536 -19.661 -20.704 1.00 0.00 C ATOM 146 O ILE A 11 3.576 -20.362 -21.033 1.00 0.00 O ATOM 147 CB ILE A 11 4.703 -17.233 -21.384 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.318 -15.806 -20.972 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.975 -17.617 -22.669 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.837 -14.732 -21.898 1.00 0.00 C ATOM 0 H ILE A 11 5.883 -17.273 -19.226 1.00 0.00 H new ATOM 0 HA ILE A 11 3.288 -18.061 -20.000 1.00 0.00 H new ATOM 0 HB ILE A 11 5.777 -17.282 -21.565 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.231 -15.735 -20.924 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.694 -15.616 -19.967 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.242 -16.918 -23.461 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.264 -18.626 -22.963 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.898 -17.582 -22.502 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.520 -13.754 -21.535 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.926 -14.773 -21.928 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.440 -14.893 -22.900 1.00 0.00 H new ATOM 162 N CYS A 12 5.781 -20.106 -20.705 1.00 0.00 N ATOM 163 CA CYS A 12 6.098 -21.472 -21.077 1.00 0.00 C ATOM 164 C CYS A 12 6.310 -22.341 -19.839 1.00 0.00 C ATOM 165 O CYS A 12 6.221 -23.563 -19.908 1.00 0.00 O ATOM 166 CB CYS A 12 7.333 -21.500 -21.978 1.00 0.00 C ATOM 167 SG CYS A 12 8.777 -20.616 -21.304 1.00 0.00 S ATOM 0 H CYS A 12 6.590 -19.539 -20.451 1.00 0.00 H new ATOM 0 HA CYS A 12 5.254 -21.883 -21.631 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.611 -22.538 -22.161 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.074 -21.065 -22.943 1.00 0.00 H new ATOM 0 HG CYS A 12 8.513 -19.345 -21.233 1.00 0.00 H new ATOM 172 N LEU A 13 6.591 -21.685 -18.709 1.00 0.00 N ATOM 173 CA LEU A 13 6.833 -22.349 -17.416 1.00 0.00 C ATOM 174 C LEU A 13 8.054 -23.272 -17.468 1.00 0.00 C ATOM 175 O LEU A 13 8.201 -24.162 -16.633 1.00 0.00 O ATOM 176 CB LEU A 13 5.593 -23.152 -16.963 1.00 0.00 C ATOM 177 CG LEU A 13 4.348 -22.349 -16.573 1.00 0.00 C ATOM 178 CD1 LEU A 13 3.165 -23.281 -16.363 1.00 0.00 C ATOM 179 CD2 LEU A 13 4.609 -21.540 -15.311 1.00 0.00 C ATOM 0 H LEU A 13 6.658 -20.668 -18.661 1.00 0.00 H new ATOM 0 HA LEU A 13 7.032 -21.560 -16.690 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.318 -23.833 -17.768 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.881 -23.766 -16.110 1.00 0.00 H new ATOM 0 HG LEU A 13 4.113 -21.660 -17.384 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.287 -22.698 -16.086 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.963 -23.826 -17.285 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.396 -23.989 -15.567 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.714 -20.976 -15.049 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.866 -22.214 -14.494 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.435 -20.850 -15.485 1.00 0.00 H new ATOM 191 N MET A 14 8.947 -23.036 -18.416 1.00 0.00 N ATOM 192 CA MET A 14 10.118 -23.888 -18.543 1.00 0.00 C ATOM 193 C MET A 14 11.354 -23.177 -18.038 1.00 0.00 C ATOM 194 O MET A 14 11.879 -23.496 -16.969 1.00 0.00 O ATOM 195 CB MET A 14 10.333 -24.359 -19.994 1.00 0.00 C ATOM 196 CG MET A 14 9.237 -25.265 -20.536 1.00 0.00 C ATOM 197 SD MET A 14 9.606 -25.896 -22.192 1.00 0.00 S ATOM 198 CE MET A 14 9.623 -24.381 -23.154 1.00 0.00 C ATOM 0 H MET A 14 8.887 -22.278 -19.096 1.00 0.00 H new ATOM 0 HA MET A 14 9.940 -24.772 -17.930 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.414 -23.483 -20.638 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.285 -24.887 -20.053 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.096 -26.104 -19.855 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.297 -24.714 -20.563 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.805 -24.398 -23.874 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.503 -23.526 -22.489 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.571 -24.298 -23.685 1.00 0.00 H new ATOM 208 N ALA A 15 11.789 -22.191 -18.796 1.00 0.00 N ATOM 209 CA ALA A 15 13.006 -21.455 -18.529 1.00 0.00 C ATOM 210 C ALA A 15 13.054 -20.278 -19.477 1.00 0.00 C ATOM 211 O ALA A 15 12.045 -19.957 -20.108 1.00 0.00 O ATOM 212 CB ALA A 15 14.221 -22.358 -18.743 1.00 0.00 C ATOM 0 H ALA A 15 11.296 -21.873 -19.631 1.00 0.00 H new ATOM 0 HA ALA A 15 13.022 -21.107 -17.496 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.132 -21.796 -18.540 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.163 -23.212 -18.068 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.235 -22.711 -19.774 1.00 0.00 H new ATOM 218 N LEU A 16 14.196 -19.636 -19.592 1.00 0.00 N ATOM 219 CA LEU A 16 14.335 -18.541 -20.524 1.00 0.00 C ATOM 220 C LEU A 16 14.960 -19.039 -21.804 1.00 0.00 C ATOM 221 O LEU A 16 16.160 -19.308 -21.850 1.00 0.00 O ATOM 222 CB LEU A 16 15.210 -17.437 -19.938 1.00 0.00 C ATOM 223 CG LEU A 16 14.730 -16.812 -18.638 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.704 -15.741 -18.180 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.335 -16.238 -18.805 1.00 0.00 C ATOM 0 H LEU A 16 15.036 -19.852 -19.055 1.00 0.00 H new ATOM 0 HA LEU A 16 13.343 -18.136 -20.725 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.208 -17.843 -19.774 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.306 -16.646 -20.682 1.00 0.00 H new ATOM 0 HG LEU A 16 14.686 -17.587 -17.873 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.349 -15.301 -17.248 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.686 -16.186 -18.020 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.777 -14.966 -18.943 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.009 -15.795 -17.864 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.347 -15.473 -19.581 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.646 -17.033 -19.090 1.00 0.00 H new ATOM 237 N ARG A 17 14.151 -19.174 -22.836 1.00 0.00 N ATOM 238 CA ARG A 17 14.639 -19.619 -24.125 1.00 0.00 C ATOM 239 C ARG A 17 15.504 -18.562 -24.809 1.00 0.00 C ATOM 240 O ARG A 17 16.658 -18.814 -25.128 1.00 0.00 O ATOM 241 CB ARG A 17 13.472 -20.072 -25.025 1.00 0.00 C ATOM 242 CG ARG A 17 13.849 -20.271 -26.482 1.00 0.00 C ATOM 243 CD ARG A 17 14.928 -21.317 -26.677 1.00 0.00 C ATOM 244 NE ARG A 17 15.601 -21.118 -27.958 1.00 0.00 N ATOM 245 CZ ARG A 17 16.432 -21.979 -28.535 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.671 -23.157 -27.976 1.00 0.00 N ATOM 247 NH2 ARG A 17 17.020 -21.654 -29.679 1.00 0.00 N ATOM 0 H ARG A 17 13.150 -18.981 -22.806 1.00 0.00 H new ATOM 0 HA ARG A 17 15.284 -20.481 -23.952 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.069 -21.007 -24.635 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.674 -19.332 -24.966 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.962 -20.563 -27.044 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.191 -19.322 -26.896 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.652 -21.258 -25.865 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.489 -22.314 -26.640 1.00 0.00 H new ATOM 0 HE ARG A 17 15.417 -20.244 -28.451 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.216 -23.407 -27.098 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.310 -23.814 -28.424 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.833 -20.748 -30.109 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.659 -22.310 -30.128 1.00 0.00 H new ATOM 261 N GLU A 18 14.955 -17.376 -25.013 1.00 0.00 N ATOM 262 CA GLU A 18 15.709 -16.341 -25.719 1.00 0.00 C ATOM 263 C GLU A 18 16.242 -15.311 -24.723 1.00 0.00 C ATOM 264 O GLU A 18 17.145 -14.535 -25.036 1.00 0.00 O ATOM 265 CB GLU A 18 14.819 -15.653 -26.746 1.00 0.00 C ATOM 266 CG GLU A 18 14.175 -16.599 -27.769 1.00 0.00 C ATOM 267 CD GLU A 18 15.169 -17.341 -28.642 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.028 -16.700 -29.259 1.00 0.00 O ATOM 269 OE2 GLU A 18 15.077 -18.581 -28.737 1.00 0.00 O ATOM 0 H GLU A 18 14.019 -17.106 -24.712 1.00 0.00 H new ATOM 0 HA GLU A 18 16.549 -16.808 -26.233 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.030 -15.115 -26.221 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.411 -14.910 -27.280 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.561 -17.326 -27.238 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.506 -16.023 -28.408 1.00 0.00 H new ATOM 276 N ALA A 19 15.663 -15.335 -23.516 1.00 0.00 N ATOM 277 CA ALA A 19 16.073 -14.493 -22.388 1.00 0.00 C ATOM 278 C ALA A 19 16.141 -12.990 -22.718 1.00 0.00 C ATOM 279 O ALA A 19 17.199 -12.362 -22.610 1.00 0.00 O ATOM 280 CB ALA A 19 17.380 -14.993 -21.791 1.00 0.00 C ATOM 0 H ALA A 19 14.882 -15.952 -23.293 1.00 0.00 H new ATOM 0 HA ALA A 19 15.285 -14.585 -21.641 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.666 -14.354 -20.955 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.251 -16.016 -21.438 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.161 -14.967 -22.551 1.00 0.00 H new ATOM 286 N VAL A 20 15.012 -12.415 -23.092 1.00 0.00 N ATOM 287 CA VAL A 20 14.939 -10.991 -23.398 1.00 0.00 C ATOM 288 C VAL A 20 14.528 -10.178 -22.171 1.00 0.00 C ATOM 289 O VAL A 20 13.463 -10.392 -21.592 1.00 0.00 O ATOM 290 CB VAL A 20 14.037 -10.654 -24.622 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.677 -11.152 -25.908 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.639 -11.245 -24.470 1.00 0.00 C ATOM 0 H VAL A 20 14.127 -12.912 -23.193 1.00 0.00 H new ATOM 0 HA VAL A 20 15.950 -10.702 -23.685 1.00 0.00 H new ATOM 0 HB VAL A 20 13.940 -9.569 -24.668 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.033 -10.908 -26.753 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.647 -10.673 -26.041 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.810 -12.232 -25.853 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.039 -10.989 -25.343 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.710 -12.329 -24.384 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.168 -10.840 -23.574 1.00 0.00 H new ATOM 302 N GLN A 21 15.417 -9.294 -21.756 1.00 0.00 N ATOM 303 CA GLN A 21 15.221 -8.447 -20.582 1.00 0.00 C ATOM 304 C GLN A 21 14.238 -7.301 -20.859 1.00 0.00 C ATOM 305 O GLN A 21 14.310 -6.639 -21.900 1.00 0.00 O ATOM 306 CB GLN A 21 16.579 -7.901 -20.125 1.00 0.00 C ATOM 307 CG GLN A 21 16.538 -6.997 -18.903 1.00 0.00 C ATOM 308 CD GLN A 21 17.919 -6.508 -18.505 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.803 -6.344 -19.349 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.112 -6.260 -17.229 1.00 0.00 N ATOM 0 H GLN A 21 16.308 -9.138 -22.227 1.00 0.00 H new ATOM 0 HA GLN A 21 14.782 -9.052 -19.788 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.237 -8.743 -19.912 1.00 0.00 H new ATOM 0 HB3 GLN A 21 17.026 -7.348 -20.951 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.896 -6.140 -19.108 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.091 -7.537 -18.068 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.356 -6.408 -16.561 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.018 -5.919 -16.907 1.00 0.00 H new ATOM 319 N THR A 22 13.323 -7.099 -19.932 1.00 0.00 N ATOM 320 CA THR A 22 12.327 -6.051 -20.007 1.00 0.00 C ATOM 321 C THR A 22 12.758 -4.862 -19.137 1.00 0.00 C ATOM 322 O THR A 22 13.578 -5.027 -18.224 1.00 0.00 O ATOM 323 CB THR A 22 10.975 -6.587 -19.488 1.00 0.00 C ATOM 324 OG1 THR A 22 11.130 -7.030 -18.132 1.00 0.00 O ATOM 325 CG2 THR A 22 10.502 -7.750 -20.341 1.00 0.00 C ATOM 0 H THR A 22 13.250 -7.670 -19.090 1.00 0.00 H new ATOM 0 HA THR A 22 12.226 -5.729 -21.043 1.00 0.00 H new ATOM 0 HB THR A 22 10.236 -5.787 -19.540 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.707 -6.386 -17.527 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.548 -8.115 -19.961 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.379 -7.419 -21.372 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.239 -8.552 -20.303 1.00 0.00 H new ATOM 333 N PRO A 23 12.216 -3.649 -19.391 1.00 0.00 N ATOM 334 CA PRO A 23 12.546 -2.448 -18.604 1.00 0.00 C ATOM 335 C PRO A 23 12.113 -2.553 -17.132 1.00 0.00 C ATOM 336 O PRO A 23 12.675 -1.878 -16.271 1.00 0.00 O ATOM 337 CB PRO A 23 11.770 -1.327 -19.312 1.00 0.00 C ATOM 338 CG PRO A 23 10.671 -2.031 -20.023 1.00 0.00 C ATOM 339 CD PRO A 23 11.259 -3.335 -20.470 1.00 0.00 C ATOM 0 HA PRO A 23 13.623 -2.284 -18.564 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.381 -0.601 -18.598 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.407 -0.780 -20.007 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.816 -2.190 -19.366 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.316 -1.448 -20.873 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.497 -4.108 -20.573 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.755 -3.245 -21.437 1.00 0.00 H new ATOM 347 N CYS A 24 11.122 -3.399 -16.848 1.00 0.00 N ATOM 348 CA CYS A 24 10.636 -3.559 -15.487 1.00 0.00 C ATOM 349 C CYS A 24 11.633 -4.335 -14.627 1.00 0.00 C ATOM 350 O CYS A 24 11.715 -4.135 -13.412 1.00 0.00 O ATOM 351 CB CYS A 24 9.254 -4.228 -15.470 1.00 0.00 C ATOM 352 SG CYS A 24 9.141 -5.799 -16.394 1.00 0.00 S ATOM 0 H CYS A 24 10.646 -3.978 -17.540 1.00 0.00 H new ATOM 0 HA CYS A 24 10.533 -2.564 -15.054 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.970 -4.413 -14.434 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.525 -3.530 -15.881 1.00 0.00 H new ATOM 0 HG CYS A 24 7.892 -6.127 -16.542 1.00 0.00 H new ATOM 357 N GLY A 25 12.401 -5.202 -15.263 1.00 0.00 N ATOM 358 CA GLY A 25 13.375 -5.989 -14.540 1.00 0.00 C ATOM 359 C GLY A 25 13.043 -7.461 -14.543 1.00 0.00 C ATOM 360 O GLY A 25 13.215 -8.149 -13.540 1.00 0.00 O ATOM 0 H GLY A 25 12.368 -5.376 -16.268 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.359 -5.841 -14.984 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.433 -5.635 -13.511 1.00 0.00 H new ATOM 364 N HIS A 26 12.551 -7.943 -15.665 1.00 0.00 N ATOM 365 CA HIS A 26 12.236 -9.351 -15.837 1.00 0.00 C ATOM 366 C HIS A 26 12.794 -9.826 -17.159 1.00 0.00 C ATOM 367 O HIS A 26 13.141 -9.016 -18.008 1.00 0.00 O ATOM 368 CB HIS A 26 10.716 -9.603 -15.776 1.00 0.00 C ATOM 369 CG HIS A 26 10.109 -9.355 -14.430 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.404 -8.207 -14.107 1.00 0.00 N ATOM 371 CD2 HIS A 26 10.119 -10.116 -13.308 1.00 0.00 C ATOM 372 CE1 HIS A 26 9.018 -8.280 -12.839 1.00 0.00 C ATOM 373 NE2 HIS A 26 9.436 -9.427 -12.337 1.00 0.00 N ATOM 0 H HIS A 26 12.357 -7.371 -16.487 1.00 0.00 H new ATOM 0 HA HIS A 26 12.692 -9.911 -15.020 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.223 -8.964 -16.508 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.517 -10.634 -16.068 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.213 -7.431 -14.741 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.580 -11.087 -13.198 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.456 -7.527 -12.307 1.00 0.00 H new ATOM 380 N ARG A 27 12.929 -11.120 -17.327 1.00 0.00 N ATOM 381 CA ARG A 27 13.366 -11.653 -18.600 1.00 0.00 C ATOM 382 C ARG A 27 12.387 -12.722 -19.049 1.00 0.00 C ATOM 383 O ARG A 27 11.899 -13.497 -18.230 1.00 0.00 O ATOM 384 CB ARG A 27 14.805 -12.203 -18.518 1.00 0.00 C ATOM 385 CG ARG A 27 15.849 -11.153 -18.130 1.00 0.00 C ATOM 386 CD ARG A 27 17.253 -11.731 -18.042 1.00 0.00 C ATOM 387 NE ARG A 27 17.828 -12.014 -19.366 1.00 0.00 N ATOM 388 CZ ARG A 27 19.017 -12.604 -19.566 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.731 -13.033 -18.534 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.482 -12.765 -20.802 1.00 0.00 N ATOM 0 H ARG A 27 12.745 -11.819 -16.607 1.00 0.00 H new ATOM 0 HA ARG A 27 13.382 -10.851 -19.337 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.832 -13.014 -17.791 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.076 -12.631 -19.483 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.837 -10.346 -18.863 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.579 -10.715 -17.169 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.898 -11.031 -17.511 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.229 -12.650 -17.456 1.00 0.00 H new ATOM 0 HE ARG A 27 17.287 -11.744 -20.187 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.377 -12.915 -17.585 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.634 -13.481 -18.690 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.935 -12.440 -21.599 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.386 -13.213 -20.953 1.00 0.00 H new ATOM 404 N PHE A 28 12.090 -12.743 -20.333 1.00 0.00 N ATOM 405 CA PHE A 28 11.131 -13.683 -20.911 1.00 0.00 C ATOM 406 C PHE A 28 11.699 -14.244 -22.202 1.00 0.00 C ATOM 407 O PHE A 28 12.766 -13.825 -22.646 1.00 0.00 O ATOM 408 CB PHE A 28 9.790 -12.990 -21.217 1.00 0.00 C ATOM 409 CG PHE A 28 9.067 -12.428 -20.021 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.206 -13.219 -19.278 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.245 -11.106 -19.649 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.536 -12.698 -18.186 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.582 -10.582 -18.557 1.00 0.00 C ATOM 414 CZ PHE A 28 7.726 -11.379 -17.824 1.00 0.00 C ATOM 0 H PHE A 28 12.506 -12.108 -21.014 1.00 0.00 H new ATOM 0 HA PHE A 28 10.955 -14.481 -20.190 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.971 -12.181 -21.924 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.135 -13.706 -21.713 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.057 -14.252 -19.554 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.911 -10.477 -20.220 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.864 -13.323 -17.616 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.733 -9.550 -18.277 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.206 -10.972 -16.969 1.00 0.00 H new ATOM 424 N CYS A 29 11.022 -15.199 -22.794 1.00 0.00 N ATOM 425 CA CYS A 29 11.437 -15.694 -24.089 1.00 0.00 C ATOM 426 C CYS A 29 10.854 -14.803 -25.179 1.00 0.00 C ATOM 427 O CYS A 29 9.746 -14.291 -25.039 1.00 0.00 O ATOM 428 CB CYS A 29 10.956 -17.116 -24.289 1.00 0.00 C ATOM 429 SG CYS A 29 11.291 -18.221 -22.884 1.00 0.00 S ATOM 0 H CYS A 29 10.191 -15.646 -22.407 1.00 0.00 H new ATOM 0 HA CYS A 29 12.526 -15.681 -24.141 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.882 -17.101 -24.477 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.430 -17.526 -25.180 1.00 0.00 H new ATOM 0 HG CYS A 29 10.210 -18.875 -22.579 1.00 0.00 H new ATOM 434 N LYS A 30 11.574 -14.669 -26.273 1.00 0.00 N ATOM 435 CA LYS A 30 11.213 -13.752 -27.354 1.00 0.00 C ATOM 436 C LYS A 30 10.115 -14.368 -28.231 1.00 0.00 C ATOM 437 O LYS A 30 9.586 -13.735 -29.135 1.00 0.00 O ATOM 438 CB LYS A 30 12.464 -13.410 -28.172 1.00 0.00 C ATOM 439 CG LYS A 30 12.288 -12.350 -29.244 1.00 0.00 C ATOM 440 CD LYS A 30 13.616 -12.076 -29.926 1.00 0.00 C ATOM 441 CE LYS A 30 13.505 -11.001 -30.986 1.00 0.00 C ATOM 442 NZ LYS A 30 14.818 -10.735 -31.619 1.00 0.00 N ATOM 0 H LYS A 30 12.432 -15.192 -26.446 1.00 0.00 H new ATOM 0 HA LYS A 30 10.815 -12.828 -26.934 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.243 -13.079 -27.486 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.824 -14.323 -28.647 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.554 -12.682 -29.978 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.902 -11.433 -28.800 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.350 -11.773 -29.179 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.985 -12.995 -30.381 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.787 -11.309 -31.746 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.121 -10.084 -30.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.712 -9.994 -32.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.494 -10.418 -30.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.171 -11.605 -32.065 1.00 0.00 H new ATOM 456 N ALA A 31 9.755 -15.594 -27.920 1.00 0.00 N ATOM 457 CA ALA A 31 8.712 -16.283 -28.654 1.00 0.00 C ATOM 458 C ALA A 31 7.524 -16.478 -27.744 1.00 0.00 C ATOM 459 O ALA A 31 6.431 -16.812 -28.189 1.00 0.00 O ATOM 460 CB ALA A 31 9.211 -17.636 -29.136 1.00 0.00 C ATOM 0 H ALA A 31 10.169 -16.137 -27.162 1.00 0.00 H new ATOM 0 HA ALA A 31 8.427 -15.688 -29.521 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.417 -18.142 -29.685 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.072 -17.495 -29.790 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.502 -18.243 -28.279 1.00 0.00 H new ATOM 466 N CYS A 32 7.741 -16.248 -26.467 1.00 0.00 N ATOM 467 CA CYS A 32 6.676 -16.315 -25.513 1.00 0.00 C ATOM 468 C CYS A 32 6.072 -14.940 -25.282 1.00 0.00 C ATOM 469 O CYS A 32 4.875 -14.747 -25.459 1.00 0.00 O ATOM 470 CB CYS A 32 7.173 -16.904 -24.196 1.00 0.00 C ATOM 471 SG CYS A 32 7.982 -18.534 -24.346 1.00 0.00 S ATOM 0 H CYS A 32 8.652 -16.013 -26.073 1.00 0.00 H new ATOM 0 HA CYS A 32 5.901 -16.967 -25.915 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.876 -16.205 -23.744 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.329 -16.994 -23.512 1.00 0.00 H new ATOM 0 HG CYS A 32 8.148 -19.047 -23.163 1.00 0.00 H new ATOM 476 N ILE A 33 6.914 -13.975 -24.934 1.00 0.00 N ATOM 477 CA ILE A 33 6.434 -12.657 -24.542 1.00 0.00 C ATOM 478 C ILE A 33 5.762 -11.914 -25.703 1.00 0.00 C ATOM 479 O ILE A 33 4.737 -11.274 -25.514 1.00 0.00 O ATOM 480 CB ILE A 33 7.542 -11.780 -23.876 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.942 -10.524 -23.230 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.638 -11.398 -24.867 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.001 -10.812 -22.078 1.00 0.00 C ATOM 0 H ILE A 33 7.928 -14.080 -24.915 1.00 0.00 H new ATOM 0 HA ILE A 33 5.673 -12.836 -23.782 1.00 0.00 H new ATOM 0 HB ILE A 33 7.999 -12.386 -23.094 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.753 -9.889 -22.873 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.405 -9.958 -23.991 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.388 -10.789 -24.363 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.107 -12.301 -25.257 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.203 -10.831 -25.690 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.620 -9.873 -21.676 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.168 -11.420 -22.432 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.537 -11.350 -21.296 1.00 0.00 H new ATOM 495 N ILE A 34 6.312 -12.050 -26.907 1.00 0.00 N ATOM 496 CA ILE A 34 5.783 -11.342 -28.067 1.00 0.00 C ATOM 497 C ILE A 34 4.348 -11.771 -28.385 1.00 0.00 C ATOM 498 O ILE A 34 3.477 -10.930 -28.611 1.00 0.00 O ATOM 499 CB ILE A 34 6.705 -11.436 -29.317 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.007 -10.667 -29.055 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.013 -10.881 -30.558 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.043 -10.805 -30.154 1.00 0.00 C ATOM 0 H ILE A 34 7.120 -12.641 -27.103 1.00 0.00 H new ATOM 0 HA ILE A 34 5.760 -10.288 -27.792 1.00 0.00 H new ATOM 0 HB ILE A 34 6.930 -12.487 -29.499 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.772 -9.611 -28.924 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.440 -11.016 -28.117 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.683 -10.961 -31.414 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.105 -11.451 -30.753 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.757 -9.834 -30.394 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.932 -10.231 -29.890 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.311 -11.855 -30.272 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.632 -10.428 -31.091 1.00 0.00 H new ATOM 514 N LYS A 35 4.082 -13.065 -28.324 1.00 0.00 N ATOM 515 CA LYS A 35 2.754 -13.585 -28.652 1.00 0.00 C ATOM 516 C LYS A 35 1.785 -13.375 -27.470 1.00 0.00 C ATOM 517 O LYS A 35 0.588 -13.653 -27.559 1.00 0.00 O ATOM 518 CB LYS A 35 2.858 -15.080 -29.029 1.00 0.00 C ATOM 519 CG LYS A 35 1.536 -15.761 -29.389 1.00 0.00 C ATOM 520 CD LYS A 35 0.926 -15.222 -30.683 1.00 0.00 C ATOM 521 CE LYS A 35 1.722 -15.651 -31.911 1.00 0.00 C ATOM 522 NZ LYS A 35 1.062 -15.244 -33.178 1.00 0.00 N ATOM 0 H LYS A 35 4.761 -13.776 -28.052 1.00 0.00 H new ATOM 0 HA LYS A 35 2.356 -13.039 -29.508 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.539 -15.177 -29.875 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.308 -15.617 -28.194 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.701 -16.834 -29.489 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.827 -15.622 -28.573 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.101 -15.576 -30.775 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.886 -14.134 -30.639 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.719 -15.214 -31.866 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.848 -16.734 -31.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.638 -15.556 -33.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.120 -15.681 -33.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.965 -14.209 -33.202 1.00 0.00 H new ATOM 536 N SER A 36 2.296 -12.835 -26.384 1.00 0.00 N ATOM 537 CA SER A 36 1.462 -12.511 -25.255 1.00 0.00 C ATOM 538 C SER A 36 1.236 -11.000 -25.168 1.00 0.00 C ATOM 539 O SER A 36 0.302 -10.538 -24.513 1.00 0.00 O ATOM 540 CB SER A 36 2.087 -13.047 -23.969 1.00 0.00 C ATOM 541 OG SER A 36 2.242 -14.461 -24.044 1.00 0.00 O ATOM 0 H SER A 36 3.284 -12.613 -26.263 1.00 0.00 H new ATOM 0 HA SER A 36 0.490 -12.987 -25.388 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.057 -12.577 -23.805 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.459 -12.788 -23.117 1.00 0.00 H new ATOM 0 HG SER A 36 3.060 -14.675 -24.540 1.00 0.00 H new ATOM 547 N ILE A 37 2.062 -10.230 -25.869 1.00 0.00 N ATOM 548 CA ILE A 37 1.928 -8.783 -25.825 1.00 0.00 C ATOM 549 C ILE A 37 1.283 -8.218 -27.082 1.00 0.00 C ATOM 550 O ILE A 37 0.683 -7.158 -27.039 1.00 0.00 O ATOM 551 CB ILE A 37 3.267 -8.054 -25.533 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.322 -8.386 -26.591 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.768 -8.387 -24.133 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.617 -7.616 -26.434 1.00 0.00 C ATOM 0 H ILE A 37 2.816 -10.577 -26.462 1.00 0.00 H new ATOM 0 HA ILE A 37 1.261 -8.589 -24.985 1.00 0.00 H new ATOM 0 HB ILE A 37 3.083 -6.981 -25.580 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.539 -9.453 -26.550 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.908 -8.182 -27.578 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.707 -7.866 -23.949 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.028 -8.072 -23.397 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.927 -9.462 -24.050 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.312 -7.908 -27.221 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.416 -6.547 -26.506 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.057 -7.838 -25.462 1.00 0.00 H new ATOM 566 N ARG A 38 1.375 -8.932 -28.192 1.00 0.00 N ATOM 567 CA ARG A 38 0.745 -8.456 -29.423 1.00 0.00 C ATOM 568 C ARG A 38 -0.614 -9.114 -29.625 1.00 0.00 C ATOM 569 O ARG A 38 -1.301 -8.859 -30.613 1.00 0.00 O ATOM 570 CB ARG A 38 1.655 -8.678 -30.644 1.00 0.00 C ATOM 571 CG ARG A 38 1.879 -10.130 -31.029 1.00 0.00 C ATOM 572 CD ARG A 38 2.911 -10.254 -32.141 1.00 0.00 C ATOM 573 NE ARG A 38 2.480 -9.626 -33.392 1.00 0.00 N ATOM 574 CZ ARG A 38 3.290 -9.351 -34.420 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.583 -9.658 -34.353 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.807 -8.770 -35.512 1.00 0.00 N ATOM 0 H ARG A 38 1.866 -9.822 -28.272 1.00 0.00 H new ATOM 0 HA ARG A 38 0.590 -7.382 -29.323 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.224 -8.155 -31.498 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.623 -8.219 -30.444 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.212 -10.693 -30.157 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.937 -10.572 -31.353 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.846 -9.798 -31.815 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.117 -11.309 -32.322 1.00 0.00 H new ATOM 0 HE ARG A 38 1.494 -9.382 -33.486 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.959 -10.104 -33.516 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.199 -9.447 -35.138 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.817 -8.533 -35.568 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.426 -8.561 -36.295 1.00 0.00 H new ATOM 590 N ASP A 39 -0.999 -9.961 -28.678 1.00 0.00 N ATOM 591 CA ASP A 39 -2.278 -10.657 -28.760 1.00 0.00 C ATOM 592 C ASP A 39 -3.204 -10.260 -27.622 1.00 0.00 C ATOM 593 O ASP A 39 -4.324 -9.811 -27.849 1.00 0.00 O ATOM 594 CB ASP A 39 -2.082 -12.169 -28.755 1.00 0.00 C ATOM 595 CG ASP A 39 -3.391 -12.914 -28.910 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.930 -12.944 -30.036 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.893 -13.477 -27.913 1.00 0.00 O ATOM 0 H ASP A 39 -0.448 -10.182 -27.849 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.740 -10.362 -29.702 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.408 -12.449 -29.564 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.603 -12.469 -27.823 1.00 0.00 H new ATOM 602 N ALA A 40 -2.733 -10.429 -26.398 1.00 0.00 N ATOM 603 CA ALA A 40 -3.533 -10.095 -25.230 1.00 0.00 C ATOM 604 C ALA A 40 -3.410 -8.614 -24.907 1.00 0.00 C ATOM 605 O ALA A 40 -4.379 -7.853 -25.027 1.00 0.00 O ATOM 606 CB ALA A 40 -3.123 -10.951 -24.036 1.00 0.00 C ATOM 0 H ALA A 40 -1.804 -10.794 -26.187 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.578 -10.308 -25.453 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.733 -10.686 -23.172 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.271 -12.004 -24.275 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.072 -10.775 -23.806 1.00 0.00 H new ATOM 612 N GLY A 41 -2.225 -8.209 -24.506 1.00 0.00 N ATOM 613 CA GLY A 41 -1.959 -6.825 -24.225 1.00 0.00 C ATOM 614 C GLY A 41 -0.491 -6.602 -24.048 1.00 0.00 C ATOM 615 O GLY A 41 0.242 -7.548 -23.752 1.00 0.00 O ATOM 0 H GLY A 41 -1.427 -8.829 -24.368 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.332 -6.204 -25.039 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.491 -6.522 -23.323 1.00 0.00 H new ATOM 619 N HIS A 42 -0.045 -5.377 -24.205 1.00 0.00 N ATOM 620 CA HIS A 42 1.366 -5.079 -24.099 1.00 0.00 C ATOM 621 C HIS A 42 1.761 -4.843 -22.655 1.00 0.00 C ATOM 622 O HIS A 42 1.929 -3.705 -22.217 1.00 0.00 O ATOM 623 CB HIS A 42 1.777 -3.894 -24.993 1.00 0.00 C ATOM 624 CG HIS A 42 1.820 -4.209 -26.460 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.774 -3.974 -27.318 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.808 -4.741 -27.220 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.105 -4.350 -28.537 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.336 -4.817 -28.509 1.00 0.00 N ATOM 0 H HIS A 42 -0.637 -4.571 -24.406 1.00 0.00 H new ATOM 0 HA HIS A 42 1.910 -5.951 -24.462 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.079 -3.073 -24.831 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.760 -3.543 -24.680 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.785 -5.048 -26.877 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.474 -4.286 -29.411 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.854 -5.176 -29.311 1.00 0.00 H new ATOM 637 N LYS A 43 1.857 -5.927 -21.913 1.00 0.00 N ATOM 638 CA LYS A 43 2.246 -5.891 -20.523 1.00 0.00 C ATOM 639 C LYS A 43 2.880 -7.221 -20.138 1.00 0.00 C ATOM 640 O LYS A 43 2.611 -8.251 -20.774 1.00 0.00 O ATOM 641 CB LYS A 43 1.019 -5.615 -19.642 1.00 0.00 C ATOM 642 CG LYS A 43 -0.008 -6.738 -19.637 1.00 0.00 C ATOM 643 CD LYS A 43 -1.206 -6.400 -18.767 1.00 0.00 C ATOM 644 CE LYS A 43 -2.046 -5.300 -19.397 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.246 -4.993 -18.594 1.00 0.00 N ATOM 0 H LYS A 43 1.665 -6.865 -22.264 1.00 0.00 H new ATOM 0 HA LYS A 43 2.971 -5.092 -20.372 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.352 -5.437 -18.619 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.538 -4.699 -19.984 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.342 -6.931 -20.657 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.457 -7.655 -19.275 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.817 -7.291 -18.622 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.866 -6.083 -17.781 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.442 -4.399 -19.505 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.348 -5.603 -20.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.791 -4.238 -19.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.836 -5.845 -18.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.958 -4.679 -17.645 1.00 0.00 H new ATOM 659 N CYS A 44 3.718 -7.209 -19.123 1.00 0.00 N ATOM 660 CA CYS A 44 4.267 -8.440 -18.599 1.00 0.00 C ATOM 661 C CYS A 44 3.247 -9.105 -17.664 1.00 0.00 C ATOM 662 O CYS A 44 2.675 -8.448 -16.794 1.00 0.00 O ATOM 663 CB CYS A 44 5.609 -8.183 -17.901 1.00 0.00 C ATOM 664 SG CYS A 44 5.637 -6.722 -16.815 1.00 0.00 S ATOM 0 H CYS A 44 4.032 -6.364 -18.646 1.00 0.00 H new ATOM 0 HA CYS A 44 4.466 -9.127 -19.422 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.870 -9.062 -17.311 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.382 -8.068 -18.661 1.00 0.00 H new ATOM 0 HG CYS A 44 6.336 -6.986 -15.751 1.00 0.00 H new ATOM 669 N PRO A 45 2.985 -10.409 -17.849 1.00 0.00 N ATOM 670 CA PRO A 45 1.912 -11.120 -17.124 1.00 0.00 C ATOM 671 C PRO A 45 2.083 -11.159 -15.595 1.00 0.00 C ATOM 672 O PRO A 45 1.097 -11.146 -14.861 1.00 0.00 O ATOM 673 CB PRO A 45 1.966 -12.537 -17.715 1.00 0.00 C ATOM 674 CG PRO A 45 3.345 -12.660 -18.271 1.00 0.00 C ATOM 675 CD PRO A 45 3.691 -11.298 -18.788 1.00 0.00 C ATOM 0 HA PRO A 45 0.957 -10.610 -17.253 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.777 -13.292 -16.952 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.212 -12.672 -18.491 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.050 -12.979 -17.504 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.382 -13.403 -19.067 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.767 -11.123 -18.781 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.352 -11.156 -19.814 1.00 0.00 H new ATOM 683 N VAL A 46 3.318 -11.181 -15.116 1.00 0.00 N ATOM 684 CA VAL A 46 3.544 -11.350 -13.683 1.00 0.00 C ATOM 685 C VAL A 46 3.334 -10.076 -12.863 1.00 0.00 C ATOM 686 O VAL A 46 2.580 -10.083 -11.892 1.00 0.00 O ATOM 687 CB VAL A 46 4.905 -12.015 -13.348 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.887 -13.472 -13.771 1.00 0.00 C ATOM 689 CG2 VAL A 46 6.065 -11.290 -14.022 1.00 0.00 C ATOM 0 H VAL A 46 4.163 -11.087 -15.680 1.00 0.00 H new ATOM 0 HA VAL A 46 2.762 -12.045 -13.377 1.00 0.00 H new ATOM 0 HB VAL A 46 5.053 -11.950 -12.270 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.846 -13.932 -13.533 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.092 -13.995 -13.240 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.710 -13.537 -14.845 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.002 -11.784 -13.764 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.929 -11.312 -15.103 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.095 -10.255 -13.681 1.00 0.00 H new ATOM 699 N ASP A 47 3.995 -8.995 -13.240 1.00 0.00 N ATOM 700 CA ASP A 47 3.895 -7.753 -12.482 1.00 0.00 C ATOM 701 C ASP A 47 3.046 -6.709 -13.190 1.00 0.00 C ATOM 702 O ASP A 47 2.894 -5.588 -12.697 1.00 0.00 O ATOM 703 CB ASP A 47 5.292 -7.190 -12.182 1.00 0.00 C ATOM 704 CG ASP A 47 6.155 -7.019 -13.422 1.00 0.00 C ATOM 705 OD1 ASP A 47 6.268 -7.957 -14.232 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.769 -5.963 -13.608 1.00 0.00 O ATOM 0 H ASP A 47 4.602 -8.948 -14.058 1.00 0.00 H new ATOM 0 HA ASP A 47 3.396 -7.993 -11.543 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.188 -6.225 -11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.801 -7.854 -11.484 1.00 0.00 H new ATOM 711 N ASN A 48 2.476 -7.093 -14.324 1.00 0.00 N ATOM 712 CA ASN A 48 1.513 -6.267 -15.073 1.00 0.00 C ATOM 713 C ASN A 48 1.995 -4.852 -15.392 1.00 0.00 C ATOM 714 O ASN A 48 1.227 -3.888 -15.305 1.00 0.00 O ATOM 715 CB ASN A 48 0.116 -6.267 -14.441 1.00 0.00 C ATOM 716 CG ASN A 48 -0.612 -7.600 -14.595 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.302 -8.351 -15.643 1.00 0.00 O flip ATOM 718 ND2 ASN A 48 -1.449 -7.955 -13.773 1.00 0.00 N flip ATOM 0 H ASN A 48 2.665 -7.995 -14.762 1.00 0.00 H new ATOM 0 HA ASN A 48 1.434 -6.763 -16.040 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.203 -6.028 -13.381 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.482 -5.478 -14.897 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.667 -7.357 -12.976 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.927 -8.849 -13.886 1.00 0.00 H new ATOM 725 N GLU A 49 3.251 -4.718 -15.752 1.00 0.00 N ATOM 726 CA GLU A 49 3.757 -3.436 -16.199 1.00 0.00 C ATOM 727 C GLU A 49 3.603 -3.346 -17.702 1.00 0.00 C ATOM 728 O GLU A 49 3.703 -4.361 -18.391 1.00 0.00 O ATOM 729 CB GLU A 49 5.224 -3.240 -15.819 1.00 0.00 C ATOM 730 CG GLU A 49 5.482 -3.156 -14.328 1.00 0.00 C ATOM 731 CD GLU A 49 4.773 -1.995 -13.673 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.843 -0.864 -14.192 1.00 0.00 O ATOM 733 OE2 GLU A 49 4.159 -2.191 -12.610 1.00 0.00 O ATOM 0 H GLU A 49 3.938 -5.472 -15.745 1.00 0.00 H new ATOM 0 HA GLU A 49 3.183 -2.650 -15.708 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.806 -4.065 -16.229 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.589 -2.327 -16.290 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.161 -4.084 -13.856 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.554 -3.065 -14.155 1.00 0.00 H new ATOM 740 N ILE A 50 3.341 -2.151 -18.214 1.00 0.00 N ATOM 741 CA ILE A 50 3.182 -1.969 -19.647 1.00 0.00 C ATOM 742 C ILE A 50 4.503 -2.223 -20.350 1.00 0.00 C ATOM 743 O ILE A 50 5.510 -1.556 -20.088 1.00 0.00 O ATOM 744 CB ILE A 50 2.651 -0.552 -20.007 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.265 -0.313 -19.394 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.611 -0.338 -21.517 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.192 -1.279 -19.868 1.00 0.00 C ATOM 0 H ILE A 50 3.235 -1.300 -17.662 1.00 0.00 H new ATOM 0 HA ILE A 50 2.438 -2.690 -19.987 1.00 0.00 H new ATOM 0 HB ILE A 50 3.345 0.174 -19.584 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.345 -0.382 -18.309 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.949 0.704 -19.627 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.235 0.662 -21.733 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.616 -0.444 -21.926 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.954 -1.079 -21.972 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.755 -1.037 -19.385 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.079 -1.196 -20.949 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.481 -2.298 -19.611 1.00 0.00 H new ATOM 759 N LEU A 51 4.488 -3.181 -21.234 1.00 0.00 N ATOM 760 CA LEU A 51 5.661 -3.598 -21.935 1.00 0.00 C ATOM 761 C LEU A 51 5.423 -3.516 -23.426 1.00 0.00 C ATOM 762 O LEU A 51 4.568 -4.205 -23.963 1.00 0.00 O ATOM 763 CB LEU A 51 6.009 -5.031 -21.529 1.00 0.00 C ATOM 764 CG LEU A 51 7.167 -5.690 -22.269 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.468 -4.967 -21.979 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.268 -7.150 -21.881 1.00 0.00 C ATOM 0 H LEU A 51 3.647 -3.699 -21.488 1.00 0.00 H new ATOM 0 HA LEU A 51 6.494 -2.943 -21.680 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.239 -5.036 -20.464 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.122 -5.649 -21.667 1.00 0.00 H new ATOM 0 HG LEU A 51 6.978 -5.627 -23.341 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.282 -5.453 -22.517 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.388 -3.929 -22.303 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.671 -4.998 -20.908 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.098 -7.612 -22.415 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.438 -7.230 -20.807 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.341 -7.661 -22.141 1.00 0.00 H new ATOM 778 N LEU A 52 6.185 -2.695 -24.094 1.00 0.00 N ATOM 779 CA LEU A 52 6.040 -2.557 -25.521 1.00 0.00 C ATOM 780 C LEU A 52 7.046 -3.445 -26.217 1.00 0.00 C ATOM 781 O LEU A 52 8.033 -3.870 -25.616 1.00 0.00 O ATOM 782 CB LEU A 52 6.199 -1.092 -25.988 1.00 0.00 C ATOM 783 CG LEU A 52 5.165 -0.057 -25.490 1.00 0.00 C ATOM 784 CD1 LEU A 52 3.739 -0.528 -25.731 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.392 0.321 -24.029 1.00 0.00 C ATOM 0 H LEU A 52 6.911 -2.112 -23.677 1.00 0.00 H new ATOM 0 HA LEU A 52 5.029 -2.865 -25.786 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.188 -0.750 -25.683 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.181 -1.085 -27.078 1.00 0.00 H new ATOM 0 HG LEU A 52 5.313 0.848 -26.079 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.041 0.226 -25.368 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.583 -0.683 -26.798 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.570 -1.465 -25.200 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.643 1.050 -23.721 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.309 -0.569 -23.406 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.387 0.752 -23.915 1.00 0.00 H new ATOM 797 N GLU A 53 6.795 -3.716 -27.473 1.00 0.00 N ATOM 798 CA GLU A 53 7.620 -4.607 -28.268 1.00 0.00 C ATOM 799 C GLU A 53 9.026 -4.028 -28.451 1.00 0.00 C ATOM 800 O GLU A 53 10.016 -4.756 -28.448 1.00 0.00 O ATOM 801 CB GLU A 53 6.932 -4.843 -29.608 1.00 0.00 C ATOM 802 CG GLU A 53 5.639 -5.639 -29.475 1.00 0.00 C ATOM 803 CD GLU A 53 4.863 -5.748 -30.763 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.386 -6.311 -31.739 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.708 -5.255 -30.805 1.00 0.00 O ATOM 0 H GLU A 53 6.004 -3.322 -27.983 1.00 0.00 H new ATOM 0 HA GLU A 53 7.736 -5.561 -27.754 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.715 -3.882 -30.074 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.613 -5.374 -30.273 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.874 -6.641 -29.116 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.009 -5.170 -28.719 1.00 0.00 H new ATOM 812 N ASN A 54 9.101 -2.719 -28.611 1.00 0.00 N ATOM 813 CA ASN A 54 10.379 -2.010 -28.708 1.00 0.00 C ATOM 814 C ASN A 54 11.127 -2.026 -27.368 1.00 0.00 C ATOM 815 O ASN A 54 12.352 -1.907 -27.318 1.00 0.00 O ATOM 816 CB ASN A 54 10.170 -0.571 -29.198 1.00 0.00 C ATOM 817 CG ASN A 54 11.466 0.218 -29.304 1.00 0.00 C ATOM 818 OD1 ASN A 54 11.869 0.915 -28.369 1.00 0.00 O ATOM 819 ND2 ASN A 54 12.129 0.111 -30.434 1.00 0.00 N ATOM 0 H ASN A 54 8.284 -2.112 -28.678 1.00 0.00 H new ATOM 0 HA ASN A 54 10.994 -2.533 -29.440 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.684 -0.593 -30.174 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.493 -0.056 -28.516 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.008 0.614 -30.559 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.765 -0.475 -31.185 1.00 0.00 H new ATOM 826 N GLN A 55 10.381 -2.188 -26.287 1.00 0.00 N ATOM 827 CA GLN A 55 10.937 -2.171 -24.934 1.00 0.00 C ATOM 828 C GLN A 55 11.658 -3.477 -24.604 1.00 0.00 C ATOM 829 O GLN A 55 12.344 -3.578 -23.585 1.00 0.00 O ATOM 830 CB GLN A 55 9.835 -1.904 -23.913 1.00 0.00 C ATOM 831 CG GLN A 55 9.180 -0.541 -24.053 1.00 0.00 C ATOM 832 CD GLN A 55 10.116 0.600 -23.746 1.00 0.00 C ATOM 833 OE1 GLN A 55 10.801 1.110 -24.627 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.140 1.017 -22.503 1.00 0.00 N ATOM 0 H GLN A 55 9.372 -2.335 -26.318 1.00 0.00 H new ATOM 0 HA GLN A 55 11.671 -1.366 -24.888 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.070 -2.675 -24.009 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.253 -1.993 -22.910 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.802 -0.429 -25.069 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.320 -0.487 -23.385 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.554 0.564 -21.802 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.745 1.794 -22.237 1.00 0.00 H new ATOM 843 N LEU A 56 11.489 -4.472 -25.455 1.00 0.00 N ATOM 844 CA LEU A 56 12.155 -5.754 -25.283 1.00 0.00 C ATOM 845 C LEU A 56 13.634 -5.621 -25.594 1.00 0.00 C ATOM 846 O LEU A 56 14.020 -4.807 -26.433 1.00 0.00 O ATOM 847 CB LEU A 56 11.530 -6.809 -26.197 1.00 0.00 C ATOM 848 CG LEU A 56 10.069 -7.160 -25.923 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.553 -8.116 -26.982 1.00 0.00 C ATOM 850 CD2 LEU A 56 9.918 -7.775 -24.540 1.00 0.00 C ATOM 0 H LEU A 56 10.891 -4.418 -26.280 1.00 0.00 H new ATOM 0 HA LEU A 56 12.033 -6.068 -24.246 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.611 -6.461 -27.227 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.121 -7.721 -26.121 1.00 0.00 H new ATOM 0 HG LEU A 56 9.480 -6.244 -25.959 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.511 -8.359 -26.776 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.629 -7.648 -27.963 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.148 -9.029 -26.969 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.870 -8.019 -24.362 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.517 -8.683 -24.478 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.258 -7.064 -23.787 1.00 0.00 H new