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 54 ASN : amide:sc= 0.0554 X(o=0.018,f=-0.091) USER MOD Set 1.2: A 55 GLN : amide:sc= -0.0371 X(o=0.018,f=-0.23) USER MOD Set 2.1: A 22 THR OG1 : rot 114:sc= 1.36 USER MOD Set 2.2: A 24 CYS SG : rot 129:sc= 2.67 USER MOD Set 2.3: A 26 HIS : no HE2:sc= -1.31 K(o=0.9,f=-4) USER MOD Set 2.4: A 44 CYS SG : rot -146:sc= -1.82 USER MOD Set 3.1: A 9 CYS SG : rot -170:sc= 1.22 USER MOD Set 3.2: A 12 CYS SG : rot -66:sc= 0.295 USER MOD Set 3.3: A 14 MET CE :methyl 174:sc= -1.11 (180deg=-0.905) USER MOD Set 3.4: A 29 CYS SG : rot 122:sc= 0.332 USER MOD Set 3.5: A 32 CYS SG : rot -165:sc= -2.16! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc=-0.00866 (180deg=-0.143) USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= 1.15 (180deg=0.824) USER MOD Single : A 36 SER OG : rot 91:sc= 1.12 USER MOD Single : A 42 HIS : no HD1:sc= 0.795 K(o=0.8,f=-4.7!) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0633) USER MOD Single : A 48 ASN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 13.779 -17.902 -15.354 1.00 0.00 N ATOM 105 CA GLU A 8 12.791 -18.771 -15.945 1.00 0.00 C ATOM 106 C GLU A 8 11.627 -17.923 -16.451 1.00 0.00 C ATOM 107 O GLU A 8 10.984 -17.226 -15.662 1.00 0.00 O ATOM 108 CB GLU A 8 12.297 -19.754 -14.886 1.00 0.00 C ATOM 109 CG GLU A 8 11.350 -20.821 -15.386 1.00 0.00 C ATOM 110 CD GLU A 8 10.835 -21.675 -14.256 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.811 -21.300 -13.651 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.446 -22.725 -13.962 1.00 0.00 O ATOM 0 HA GLU A 8 13.224 -19.326 -16.778 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.161 -20.241 -14.435 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.800 -19.192 -14.096 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.511 -20.352 -15.901 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.861 -21.450 -16.115 1.00 0.00 H new ATOM 119 N CYS A 9 11.375 -17.978 -17.755 1.00 0.00 N ATOM 120 CA CYS A 9 10.286 -17.233 -18.391 1.00 0.00 C ATOM 121 C CYS A 9 8.948 -17.550 -17.717 1.00 0.00 C ATOM 122 O CYS A 9 8.456 -18.679 -17.805 1.00 0.00 O ATOM 123 CB CYS A 9 10.241 -17.599 -19.883 1.00 0.00 C ATOM 124 SG CYS A 9 8.872 -16.875 -20.869 1.00 0.00 S ATOM 0 H CYS A 9 11.921 -18.542 -18.406 1.00 0.00 H new ATOM 0 HA CYS A 9 10.465 -16.163 -18.283 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.184 -17.295 -20.336 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.183 -18.684 -19.965 1.00 0.00 H new ATOM 0 HG CYS A 9 8.841 -17.433 -22.043 1.00 0.00 H new ATOM 129 N PRO A 10 8.344 -16.559 -17.021 1.00 0.00 N ATOM 130 CA PRO A 10 7.102 -16.760 -16.257 1.00 0.00 C ATOM 131 C PRO A 10 5.916 -17.172 -17.127 1.00 0.00 C ATOM 132 O PRO A 10 4.923 -17.694 -16.621 1.00 0.00 O ATOM 133 CB PRO A 10 6.830 -15.379 -15.643 1.00 0.00 C ATOM 134 CG PRO A 10 8.147 -14.688 -15.660 1.00 0.00 C ATOM 135 CD PRO A 10 8.842 -15.175 -16.893 1.00 0.00 C ATOM 0 HA PRO A 10 7.218 -17.566 -15.532 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.087 -14.829 -16.221 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.443 -15.467 -14.628 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.021 -13.606 -15.683 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.724 -14.923 -14.766 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.590 -14.572 -17.765 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.926 -15.143 -16.786 1.00 0.00 H new ATOM 143 N ILE A 11 5.988 -16.904 -18.421 1.00 0.00 N ATOM 144 CA ILE A 11 4.933 -17.341 -19.318 1.00 0.00 C ATOM 145 C ILE A 11 4.885 -18.863 -19.461 1.00 0.00 C ATOM 146 O ILE A 11 3.816 -19.468 -19.381 1.00 0.00 O ATOM 147 CB ILE A 11 4.994 -16.649 -20.703 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.680 -15.164 -20.540 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.020 -17.298 -21.693 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.859 -14.353 -21.796 1.00 0.00 C ATOM 0 H ILE A 11 6.752 -16.395 -18.867 1.00 0.00 H new ATOM 0 HA ILE A 11 4.001 -17.027 -18.849 1.00 0.00 H new ATOM 0 HB ILE A 11 5.999 -16.766 -21.108 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.651 -15.057 -20.196 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.321 -14.752 -19.761 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.087 -16.790 -22.655 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.277 -18.350 -21.819 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.003 -17.216 -21.309 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.615 -13.310 -21.593 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.894 -14.426 -22.132 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.198 -14.736 -22.573 1.00 0.00 H new ATOM 162 N CYS A 12 6.045 -19.480 -19.630 1.00 0.00 N ATOM 163 CA CYS A 12 6.086 -20.895 -19.943 1.00 0.00 C ATOM 164 C CYS A 12 6.583 -21.753 -18.785 1.00 0.00 C ATOM 165 O CYS A 12 6.246 -22.936 -18.703 1.00 0.00 O ATOM 166 CB CYS A 12 6.913 -21.140 -21.209 1.00 0.00 C ATOM 167 SG CYS A 12 8.597 -20.437 -21.178 1.00 0.00 S ATOM 0 H CYS A 12 6.957 -19.029 -19.556 1.00 0.00 H new ATOM 0 HA CYS A 12 5.057 -21.206 -20.126 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.987 -22.215 -21.374 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.377 -20.723 -22.061 1.00 0.00 H new ATOM 0 HG CYS A 12 8.525 -19.139 -21.150 1.00 0.00 H new ATOM 172 N LEU A 13 7.385 -21.159 -17.900 1.00 0.00 N ATOM 173 CA LEU A 13 7.978 -21.863 -16.750 1.00 0.00 C ATOM 174 C LEU A 13 8.934 -22.966 -17.193 1.00 0.00 C ATOM 175 O LEU A 13 9.186 -23.916 -16.452 1.00 0.00 O ATOM 176 CB LEU A 13 6.901 -22.441 -15.811 1.00 0.00 C ATOM 177 CG LEU A 13 6.430 -21.539 -14.669 1.00 0.00 C ATOM 178 CD1 LEU A 13 5.789 -20.277 -15.196 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.463 -22.285 -13.770 1.00 0.00 C ATOM 0 H LEU A 13 7.645 -20.174 -17.956 1.00 0.00 H new ATOM 0 HA LEU A 13 8.548 -21.118 -16.195 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.033 -22.709 -16.413 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.286 -23.364 -15.379 1.00 0.00 H new ATOM 0 HG LEU A 13 7.305 -21.253 -14.086 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.465 -19.657 -14.360 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.512 -19.726 -15.798 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.927 -20.536 -15.811 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.137 -21.629 -12.962 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.597 -22.603 -14.351 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.958 -23.160 -13.349 1.00 0.00 H new ATOM 191 N MET A 14 9.465 -22.842 -18.396 1.00 0.00 N ATOM 192 CA MET A 14 10.406 -23.831 -18.897 1.00 0.00 C ATOM 193 C MET A 14 11.828 -23.363 -18.633 1.00 0.00 C ATOM 194 O MET A 14 12.553 -23.944 -17.826 1.00 0.00 O ATOM 195 CB MET A 14 10.226 -24.046 -20.407 1.00 0.00 C ATOM 196 CG MET A 14 8.859 -24.563 -20.820 1.00 0.00 C ATOM 197 SD MET A 14 8.762 -24.934 -22.588 1.00 0.00 S ATOM 198 CE MET A 14 9.102 -23.325 -23.313 1.00 0.00 C ATOM 0 H MET A 14 9.265 -22.076 -19.039 1.00 0.00 H new ATOM 0 HA MET A 14 10.216 -24.772 -18.381 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.411 -23.101 -20.918 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.984 -24.749 -20.752 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.627 -25.463 -20.250 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.102 -23.821 -20.566 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.180 -23.423 -24.396 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.292 -22.637 -23.069 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.040 -22.937 -22.915 1.00 0.00 H new ATOM 208 N ALA A 15 12.189 -22.286 -19.304 1.00 0.00 N ATOM 209 CA ALA A 15 13.513 -21.692 -19.266 1.00 0.00 C ATOM 210 C ALA A 15 13.473 -20.491 -20.185 1.00 0.00 C ATOM 211 O ALA A 15 12.384 -20.027 -20.525 1.00 0.00 O ATOM 212 CB ALA A 15 14.560 -22.693 -19.757 1.00 0.00 C ATOM 0 H ALA A 15 11.545 -21.782 -19.913 1.00 0.00 H new ATOM 0 HA ALA A 15 13.783 -21.405 -18.250 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.548 -22.233 -19.723 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.548 -23.575 -19.117 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.331 -22.985 -20.782 1.00 0.00 H new ATOM 218 N LEU A 16 14.620 -19.980 -20.582 1.00 0.00 N ATOM 219 CA LEU A 16 14.651 -18.916 -21.566 1.00 0.00 C ATOM 220 C LEU A 16 15.126 -19.465 -22.891 1.00 0.00 C ATOM 221 O LEU A 16 16.188 -20.079 -22.971 1.00 0.00 O ATOM 222 CB LEU A 16 15.590 -17.794 -21.126 1.00 0.00 C ATOM 223 CG LEU A 16 15.239 -17.092 -19.824 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.287 -16.050 -19.477 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.866 -16.454 -19.917 1.00 0.00 C ATOM 0 H LEU A 16 15.534 -20.279 -20.243 1.00 0.00 H new ATOM 0 HA LEU A 16 13.643 -18.513 -21.666 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.595 -18.206 -21.032 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.625 -17.047 -21.919 1.00 0.00 H new ATOM 0 HG LEU A 16 15.220 -17.837 -19.028 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.017 -15.559 -18.542 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.258 -16.533 -19.366 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.340 -15.308 -20.274 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.632 -15.956 -18.976 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.858 -15.723 -20.726 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.120 -17.223 -20.116 1.00 0.00 H new ATOM 237 N ARG A 17 14.338 -19.268 -23.925 1.00 0.00 N ATOM 238 CA ARG A 17 14.761 -19.647 -25.256 1.00 0.00 C ATOM 239 C ARG A 17 15.713 -18.598 -25.825 1.00 0.00 C ATOM 240 O ARG A 17 16.873 -18.888 -26.111 1.00 0.00 O ATOM 241 CB ARG A 17 13.532 -19.859 -26.162 1.00 0.00 C ATOM 242 CG ARG A 17 13.829 -20.149 -27.639 1.00 0.00 C ATOM 243 CD ARG A 17 14.657 -21.410 -27.833 1.00 0.00 C ATOM 244 NE ARG A 17 16.092 -21.114 -27.845 1.00 0.00 N ATOM 245 CZ ARG A 17 17.048 -21.896 -27.329 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.728 -23.031 -26.715 1.00 0.00 N ATOM 247 NH2 ARG A 17 18.320 -21.533 -27.424 1.00 0.00 N ATOM 0 H ARG A 17 13.409 -18.851 -23.872 1.00 0.00 H new ATOM 0 HA ARG A 17 15.303 -20.591 -25.209 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.947 -20.686 -25.760 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.906 -18.969 -26.106 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.889 -20.249 -28.182 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.359 -19.301 -28.073 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.437 -22.117 -27.033 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.376 -21.891 -28.770 1.00 0.00 H new ATOM 0 HE ARG A 17 16.386 -20.241 -28.282 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.750 -23.310 -26.635 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.460 -23.623 -26.324 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.568 -20.660 -27.889 1.00 0.00 H new ATOM 0 HH22 ARG A 17 19.051 -22.127 -27.032 1.00 0.00 H new ATOM 261 N GLU A 18 15.240 -17.373 -25.953 1.00 0.00 N ATOM 262 CA GLU A 18 16.082 -16.327 -26.501 1.00 0.00 C ATOM 263 C GLU A 18 16.565 -15.359 -25.434 1.00 0.00 C ATOM 264 O GLU A 18 17.498 -14.594 -25.664 1.00 0.00 O ATOM 265 CB GLU A 18 15.393 -15.607 -27.647 1.00 0.00 C ATOM 266 CG GLU A 18 15.071 -16.532 -28.807 1.00 0.00 C ATOM 267 CD GLU A 18 16.299 -17.236 -29.341 1.00 0.00 C ATOM 268 OE1 GLU A 18 17.242 -16.553 -29.784 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.334 -18.489 -29.311 1.00 0.00 O ATOM 0 H GLU A 18 14.298 -17.081 -25.692 1.00 0.00 H new ATOM 0 HA GLU A 18 16.971 -16.811 -26.905 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.472 -15.151 -27.284 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.032 -14.797 -27.999 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.341 -17.275 -28.484 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.608 -15.957 -29.609 1.00 0.00 H new ATOM 276 N ALA A 19 15.921 -15.415 -24.267 1.00 0.00 N ATOM 277 CA ALA A 19 16.285 -14.606 -23.099 1.00 0.00 C ATOM 278 C ALA A 19 16.216 -13.103 -23.365 1.00 0.00 C ATOM 279 O ALA A 19 17.183 -12.491 -23.810 1.00 0.00 O ATOM 280 CB ALA A 19 17.662 -14.998 -22.567 1.00 0.00 C ATOM 0 H ALA A 19 15.123 -16.029 -24.103 1.00 0.00 H new ATOM 0 HA ALA A 19 15.538 -14.821 -22.335 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.906 -14.382 -21.701 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.654 -16.048 -22.275 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.410 -14.844 -23.345 1.00 0.00 H new ATOM 286 N VAL A 20 15.070 -12.514 -23.107 1.00 0.00 N ATOM 287 CA VAL A 20 14.916 -11.078 -23.226 1.00 0.00 C ATOM 288 C VAL A 20 14.482 -10.475 -21.892 1.00 0.00 C ATOM 289 O VAL A 20 13.436 -10.835 -21.340 1.00 0.00 O ATOM 290 CB VAL A 20 13.950 -10.655 -24.381 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.517 -11.069 -25.731 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.552 -11.236 -24.198 1.00 0.00 C ATOM 0 H VAL A 20 14.227 -13.007 -22.812 1.00 0.00 H new ATOM 0 HA VAL A 20 15.894 -10.678 -23.493 1.00 0.00 H new ATOM 0 HB VAL A 20 13.864 -9.569 -24.347 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.831 -10.766 -26.522 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.482 -10.587 -25.884 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.644 -12.151 -25.756 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.915 -10.917 -25.022 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.609 -12.324 -24.184 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.132 -10.883 -23.256 1.00 0.00 H new ATOM 302 N GLN A 21 15.321 -9.619 -21.341 1.00 0.00 N ATOM 303 CA GLN A 21 15.010 -8.959 -20.089 1.00 0.00 C ATOM 304 C GLN A 21 14.082 -7.772 -20.335 1.00 0.00 C ATOM 305 O GLN A 21 14.301 -6.981 -21.256 1.00 0.00 O ATOM 306 CB GLN A 21 16.289 -8.506 -19.376 1.00 0.00 C ATOM 307 CG GLN A 21 16.045 -7.925 -17.992 1.00 0.00 C ATOM 308 CD GLN A 21 17.311 -7.432 -17.329 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.011 -8.182 -16.651 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.615 -6.175 -17.519 1.00 0.00 N ATOM 0 H GLN A 21 16.224 -9.365 -21.742 1.00 0.00 H new ATOM 0 HA GLN A 21 14.500 -9.673 -19.442 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.966 -9.356 -19.289 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.792 -7.759 -19.990 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.337 -7.100 -18.070 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.582 -8.684 -17.361 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.009 -5.584 -18.088 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.458 -5.785 -17.098 1.00 0.00 H new ATOM 319 N THR A 22 13.049 -7.665 -19.533 1.00 0.00 N ATOM 320 CA THR A 22 12.097 -6.588 -19.644 1.00 0.00 C ATOM 321 C THR A 22 12.548 -5.382 -18.821 1.00 0.00 C ATOM 322 O THR A 22 13.386 -5.523 -17.925 1.00 0.00 O ATOM 323 CB THR A 22 10.714 -7.051 -19.156 1.00 0.00 C ATOM 324 OG1 THR A 22 10.816 -7.570 -17.819 1.00 0.00 O ATOM 325 CG2 THR A 22 10.166 -8.122 -20.074 1.00 0.00 C ATOM 0 H THR A 22 12.845 -8.325 -18.783 1.00 0.00 H new ATOM 0 HA THR A 22 12.034 -6.297 -20.693 1.00 0.00 H new ATOM 0 HB THR A 22 10.037 -6.197 -19.163 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.325 -6.987 -17.203 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.187 -8.441 -19.717 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.072 -7.722 -21.084 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.844 -8.975 -20.083 1.00 0.00 H new ATOM 333 N PRO A 23 12.000 -4.177 -19.111 1.00 0.00 N ATOM 334 CA PRO A 23 12.309 -2.951 -18.357 1.00 0.00 C ATOM 335 C PRO A 23 11.982 -3.092 -16.872 1.00 0.00 C ATOM 336 O PRO A 23 12.612 -2.455 -16.026 1.00 0.00 O ATOM 337 CB PRO A 23 11.400 -1.897 -18.998 1.00 0.00 C ATOM 338 CG PRO A 23 11.129 -2.420 -20.358 1.00 0.00 C ATOM 339 CD PRO A 23 11.052 -3.906 -20.208 1.00 0.00 C ATOM 0 HA PRO A 23 13.370 -2.704 -18.401 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.478 -1.770 -18.431 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.888 -0.923 -19.037 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.197 -2.017 -20.755 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.920 -2.136 -21.052 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.043 -4.235 -19.960 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.339 -4.420 -21.126 1.00 0.00 H new ATOM 347 N CYS A 24 10.981 -3.916 -16.564 1.00 0.00 N ATOM 348 CA CYS A 24 10.579 -4.145 -15.193 1.00 0.00 C ATOM 349 C CYS A 24 11.621 -4.952 -14.400 1.00 0.00 C ATOM 350 O CYS A 24 11.645 -4.900 -13.173 1.00 0.00 O ATOM 351 CB CYS A 24 9.173 -4.754 -15.119 1.00 0.00 C ATOM 352 SG CYS A 24 8.751 -5.915 -16.469 1.00 0.00 S ATOM 0 H CYS A 24 10.437 -4.434 -17.254 1.00 0.00 H new ATOM 0 HA CYS A 24 10.530 -3.172 -14.704 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.071 -5.276 -14.168 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.444 -3.944 -15.118 1.00 0.00 H new ATOM 0 HG CYS A 24 8.293 -7.021 -15.963 1.00 0.00 H new ATOM 357 N GLY A 25 12.481 -5.685 -15.106 1.00 0.00 N ATOM 358 CA GLY A 25 13.578 -6.368 -14.436 1.00 0.00 C ATOM 359 C GLY A 25 13.428 -7.881 -14.344 1.00 0.00 C ATOM 360 O GLY A 25 13.820 -8.484 -13.342 1.00 0.00 O ATOM 0 H GLY A 25 12.440 -5.818 -16.117 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.505 -6.140 -14.963 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.677 -5.965 -13.428 1.00 0.00 H new ATOM 364 N HIS A 26 12.874 -8.501 -15.374 1.00 0.00 N ATOM 365 CA HIS A 26 12.757 -9.962 -15.412 1.00 0.00 C ATOM 366 C HIS A 26 12.809 -10.500 -16.835 1.00 0.00 C ATOM 367 O HIS A 26 12.730 -9.734 -17.784 1.00 0.00 O ATOM 368 CB HIS A 26 11.570 -10.507 -14.590 1.00 0.00 C ATOM 369 CG HIS A 26 10.238 -9.920 -14.908 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.264 -10.597 -15.595 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.709 -8.713 -14.599 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.197 -9.842 -15.694 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.430 -8.691 -15.103 1.00 0.00 N ATOM 0 H HIS A 26 12.498 -8.024 -16.194 1.00 0.00 H new ATOM 0 HA HIS A 26 13.639 -10.352 -14.905 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.515 -11.586 -14.737 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.777 -10.340 -13.533 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.355 -11.541 -15.971 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.199 -7.917 -14.058 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.275 -10.121 -16.182 1.00 0.00 H new ATOM 380 N ARG A 27 12.974 -11.804 -16.980 1.00 0.00 N ATOM 381 CA ARG A 27 13.293 -12.387 -18.287 1.00 0.00 C ATOM 382 C ARG A 27 12.143 -13.188 -18.887 1.00 0.00 C ATOM 383 O ARG A 27 11.439 -13.905 -18.184 1.00 0.00 O ATOM 384 CB ARG A 27 14.540 -13.283 -18.213 1.00 0.00 C ATOM 385 CG ARG A 27 15.844 -12.594 -17.813 1.00 0.00 C ATOM 386 CD ARG A 27 15.948 -12.392 -16.306 1.00 0.00 C ATOM 387 NE ARG A 27 17.221 -11.778 -15.931 1.00 0.00 N ATOM 388 CZ ARG A 27 17.552 -11.391 -14.698 1.00 0.00 C ATOM 389 NH1 ARG A 27 16.698 -11.529 -13.696 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.746 -10.865 -14.475 1.00 0.00 N ATOM 0 H ARG A 27 12.895 -12.480 -16.220 1.00 0.00 H new ATOM 0 HA ARG A 27 13.485 -11.536 -18.941 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.344 -14.085 -17.501 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.684 -13.750 -19.187 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.689 -13.190 -18.157 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.911 -11.628 -18.313 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.126 -11.763 -15.965 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.844 -13.353 -15.802 1.00 0.00 H new ATOM 0 HE ARG A 27 17.910 -11.634 -16.670 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.777 -11.934 -13.863 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.961 -11.230 -12.757 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.408 -10.757 -15.244 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.005 -10.567 -13.534 1.00 0.00 H new ATOM 404 N PHE A 28 11.978 -13.053 -20.196 1.00 0.00 N ATOM 405 CA PHE A 28 11.027 -13.843 -20.978 1.00 0.00 C ATOM 406 C PHE A 28 11.705 -14.386 -22.224 1.00 0.00 C ATOM 407 O PHE A 28 12.822 -13.984 -22.560 1.00 0.00 O ATOM 408 CB PHE A 28 9.816 -13.018 -21.417 1.00 0.00 C ATOM 409 CG PHE A 28 8.915 -12.568 -20.318 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.874 -13.372 -19.891 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.094 -11.346 -19.724 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.031 -12.956 -18.883 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.256 -10.922 -18.723 1.00 0.00 C ATOM 414 CZ PHE A 28 7.220 -11.730 -18.299 1.00 0.00 C ATOM 0 H PHE A 28 12.507 -12.383 -20.755 1.00 0.00 H new ATOM 0 HA PHE A 28 10.685 -14.654 -20.335 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.172 -12.139 -21.954 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.232 -13.609 -22.123 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.720 -14.336 -20.352 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.904 -10.709 -20.047 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.224 -13.594 -18.554 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.407 -9.955 -18.266 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.561 -11.398 -17.510 1.00 0.00 H new ATOM 424 N CYS A 29 11.054 -15.321 -22.883 1.00 0.00 N ATOM 425 CA CYS A 29 11.508 -15.786 -24.178 1.00 0.00 C ATOM 426 C CYS A 29 10.961 -14.848 -25.252 1.00 0.00 C ATOM 427 O CYS A 29 9.870 -14.297 -25.096 1.00 0.00 O ATOM 428 CB CYS A 29 11.006 -17.194 -24.438 1.00 0.00 C ATOM 429 SG CYS A 29 11.363 -18.392 -23.119 1.00 0.00 S ATOM 0 H CYS A 29 10.207 -15.775 -22.543 1.00 0.00 H new ATOM 0 HA CYS A 29 12.598 -15.794 -24.199 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.928 -17.156 -24.592 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.448 -17.556 -25.366 1.00 0.00 H new ATOM 0 HG CYS A 29 10.251 -18.912 -22.692 1.00 0.00 H new ATOM 434 N LYS A 30 11.690 -14.704 -26.349 1.00 0.00 N ATOM 435 CA LYS A 30 11.362 -13.718 -27.382 1.00 0.00 C ATOM 436 C LYS A 30 10.100 -14.094 -28.179 1.00 0.00 C ATOM 437 O LYS A 30 9.580 -13.294 -28.937 1.00 0.00 O ATOM 438 CB LYS A 30 12.570 -13.471 -28.310 1.00 0.00 C ATOM 439 CG LYS A 30 12.373 -12.349 -29.328 1.00 0.00 C ATOM 440 CD LYS A 30 13.626 -12.118 -30.155 1.00 0.00 C ATOM 441 CE LYS A 30 13.435 -10.994 -31.171 1.00 0.00 C ATOM 442 NZ LYS A 30 13.152 -9.686 -30.523 1.00 0.00 N ATOM 0 H LYS A 30 12.520 -15.260 -26.552 1.00 0.00 H new ATOM 0 HA LYS A 30 11.131 -12.783 -26.871 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.441 -13.238 -27.697 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.795 -14.394 -28.845 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.542 -12.597 -29.988 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.104 -11.429 -28.809 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.458 -11.873 -29.494 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.892 -13.038 -30.676 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.332 -10.906 -31.784 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.614 -11.249 -31.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.198 -8.929 -31.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.202 -9.706 -30.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.858 -9.507 -29.781 1.00 0.00 H new ATOM 456 N ALA A 31 9.588 -15.290 -27.980 1.00 0.00 N ATOM 457 CA ALA A 31 8.393 -15.693 -28.707 1.00 0.00 C ATOM 458 C ALA A 31 7.216 -15.875 -27.763 1.00 0.00 C ATOM 459 O ALA A 31 6.061 -15.676 -28.153 1.00 0.00 O ATOM 460 CB ALA A 31 8.640 -16.963 -29.506 1.00 0.00 C ATOM 0 H ALA A 31 9.965 -15.988 -27.339 1.00 0.00 H new ATOM 0 HA ALA A 31 8.147 -14.895 -29.407 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.730 -17.240 -30.039 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.443 -16.791 -30.223 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.924 -17.769 -28.829 1.00 0.00 H new ATOM 466 N CYS A 32 7.499 -16.226 -26.514 1.00 0.00 N ATOM 467 CA CYS A 32 6.448 -16.351 -25.518 1.00 0.00 C ATOM 468 C CYS A 32 5.810 -14.987 -25.249 1.00 0.00 C ATOM 469 O CYS A 32 4.590 -14.820 -25.336 1.00 0.00 O ATOM 470 CB CYS A 32 7.018 -16.908 -24.201 1.00 0.00 C ATOM 471 SG CYS A 32 7.905 -18.499 -24.338 1.00 0.00 S ATOM 0 H CYS A 32 8.439 -16.427 -26.172 1.00 0.00 H new ATOM 0 HA CYS A 32 5.694 -17.037 -25.904 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.698 -16.168 -23.778 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.198 -17.029 -23.493 1.00 0.00 H new ATOM 0 HG CYS A 32 8.053 -19.017 -23.155 1.00 0.00 H new ATOM 476 N ILE A 33 6.649 -14.014 -24.936 1.00 0.00 N ATOM 477 CA ILE A 33 6.180 -12.696 -24.550 1.00 0.00 C ATOM 478 C ILE A 33 5.561 -11.894 -25.711 1.00 0.00 C ATOM 479 O ILE A 33 4.522 -11.260 -25.536 1.00 0.00 O ATOM 480 CB ILE A 33 7.264 -11.883 -23.801 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.693 -10.586 -23.219 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.461 -11.614 -24.684 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.663 -10.804 -22.130 1.00 0.00 C ATOM 0 H ILE A 33 7.664 -14.114 -24.942 1.00 0.00 H new ATOM 0 HA ILE A 33 5.366 -12.876 -23.848 1.00 0.00 H new ATOM 0 HB ILE A 33 7.606 -12.491 -22.963 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.511 -9.988 -22.817 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.240 -10.007 -24.023 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.203 -11.041 -24.127 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.898 -12.560 -25.003 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.147 -11.046 -25.560 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.306 -9.840 -21.768 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.825 -11.374 -22.531 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.116 -11.355 -21.306 1.00 0.00 H new ATOM 495 N ILE A 34 6.162 -11.964 -26.904 1.00 0.00 N ATOM 496 CA ILE A 34 5.673 -11.172 -28.042 1.00 0.00 C ATOM 497 C ILE A 34 4.255 -11.563 -28.425 1.00 0.00 C ATOM 498 O ILE A 34 3.394 -10.702 -28.613 1.00 0.00 O ATOM 499 CB ILE A 34 6.615 -11.209 -29.285 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.921 -10.466 -28.982 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.939 -10.608 -30.517 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.950 -10.544 -30.093 1.00 0.00 C ATOM 0 H ILE A 34 6.973 -12.549 -27.107 1.00 0.00 H new ATOM 0 HA ILE A 34 5.669 -10.138 -27.696 1.00 0.00 H new ATOM 0 HB ILE A 34 6.840 -12.253 -29.503 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.693 -9.418 -28.785 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.356 -10.874 -28.070 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.623 -10.650 -31.364 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.038 -11.175 -30.750 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.673 -9.570 -30.316 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.844 -9.993 -29.800 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.210 -11.587 -30.276 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.537 -10.108 -31.003 1.00 0.00 H new ATOM 514 N LYS A 35 3.988 -12.850 -28.454 1.00 0.00 N ATOM 515 CA LYS A 35 2.690 -13.341 -28.874 1.00 0.00 C ATOM 516 C LYS A 35 1.668 -13.196 -27.733 1.00 0.00 C ATOM 517 O LYS A 35 0.482 -13.469 -27.894 1.00 0.00 O ATOM 518 CB LYS A 35 2.820 -14.798 -29.364 1.00 0.00 C ATOM 519 CG LYS A 35 1.520 -15.464 -29.798 1.00 0.00 C ATOM 520 CD LYS A 35 0.862 -14.732 -30.952 1.00 0.00 C ATOM 521 CE LYS A 35 -0.444 -15.397 -31.335 1.00 0.00 C ATOM 522 NZ LYS A 35 -1.161 -14.666 -32.403 1.00 0.00 N ATOM 0 H LYS A 35 4.652 -13.578 -28.192 1.00 0.00 H new ATOM 0 HA LYS A 35 2.322 -12.743 -29.708 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.516 -14.820 -30.202 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.263 -15.393 -28.566 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.721 -16.495 -30.090 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.832 -15.501 -28.953 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.679 -13.694 -30.673 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.534 -14.718 -31.810 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.245 -16.416 -31.667 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.084 -15.468 -30.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.831 -15.307 -32.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.680 -13.866 -31.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.476 -14.310 -33.100 1.00 0.00 H new ATOM 536 N SER A 36 2.129 -12.712 -26.601 1.00 0.00 N ATOM 537 CA SER A 36 1.248 -12.446 -25.495 1.00 0.00 C ATOM 538 C SER A 36 1.016 -10.936 -25.331 1.00 0.00 C ATOM 539 O SER A 36 0.036 -10.518 -24.726 1.00 0.00 O ATOM 540 CB SER A 36 1.815 -13.058 -24.213 1.00 0.00 C ATOM 541 OG SER A 36 1.999 -14.461 -24.365 1.00 0.00 O ATOM 0 H SER A 36 3.110 -12.496 -26.426 1.00 0.00 H new ATOM 0 HA SER A 36 0.282 -12.908 -25.700 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.766 -12.586 -23.968 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.139 -12.863 -23.381 1.00 0.00 H new ATOM 0 HG SER A 36 2.905 -14.638 -24.693 1.00 0.00 H new ATOM 547 N ILE A 37 1.887 -10.110 -25.909 1.00 0.00 N ATOM 548 CA ILE A 37 1.725 -8.669 -25.746 1.00 0.00 C ATOM 549 C ILE A 37 1.164 -7.986 -26.987 1.00 0.00 C ATOM 550 O ILE A 37 0.490 -6.967 -26.881 1.00 0.00 O ATOM 551 CB ILE A 37 3.010 -7.945 -25.275 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.159 -8.143 -26.268 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.403 -8.400 -23.875 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.392 -7.334 -25.943 1.00 0.00 C ATOM 0 H ILE A 37 2.684 -10.401 -26.475 1.00 0.00 H new ATOM 0 HA ILE A 37 0.989 -8.577 -24.947 1.00 0.00 H new ATOM 0 HB ILE A 37 2.797 -6.877 -25.235 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.426 -9.200 -26.295 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.814 -7.876 -27.267 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.308 -7.879 -23.564 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.596 -8.173 -23.179 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.586 -9.474 -23.880 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.161 -7.527 -26.690 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.142 -6.273 -25.945 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.764 -7.617 -24.958 1.00 0.00 H new ATOM 566 N ARG A 38 1.405 -8.546 -28.161 1.00 0.00 N ATOM 567 CA ARG A 38 0.839 -7.949 -29.365 1.00 0.00 C ATOM 568 C ARG A 38 -0.471 -8.618 -29.736 1.00 0.00 C ATOM 569 O ARG A 38 -1.146 -8.203 -30.673 1.00 0.00 O ATOM 570 CB ARG A 38 1.804 -7.996 -30.560 1.00 0.00 C ATOM 571 CG ARG A 38 2.159 -9.392 -31.048 1.00 0.00 C ATOM 572 CD ARG A 38 2.996 -9.339 -32.317 1.00 0.00 C ATOM 573 NE ARG A 38 2.221 -8.827 -33.458 1.00 0.00 N ATOM 574 CZ ARG A 38 2.734 -8.508 -34.655 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.043 -8.616 -34.880 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.935 -8.076 -35.622 1.00 0.00 N ATOM 0 H ARG A 38 1.968 -9.384 -28.308 1.00 0.00 H new ATOM 0 HA ARG A 38 0.657 -6.900 -29.131 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.361 -7.441 -31.387 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.724 -7.479 -30.285 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.708 -9.923 -30.270 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.246 -9.957 -31.236 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.866 -8.703 -32.153 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.369 -10.336 -32.549 1.00 0.00 H new ATOM 0 HE ARG A 38 1.217 -8.705 -33.329 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.663 -8.943 -34.139 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.425 -8.371 -35.793 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.933 -7.987 -35.454 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.323 -7.833 -36.533 1.00 0.00 H new ATOM 590 N ASP A 39 -0.835 -9.649 -29.002 1.00 0.00 N ATOM 591 CA ASP A 39 -2.044 -10.390 -29.325 1.00 0.00 C ATOM 592 C ASP A 39 -3.057 -10.272 -28.194 1.00 0.00 C ATOM 593 O ASP A 39 -4.233 -9.975 -28.429 1.00 0.00 O ATOM 594 CB ASP A 39 -1.714 -11.855 -29.602 1.00 0.00 C ATOM 595 CG ASP A 39 -2.850 -12.604 -30.267 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.717 -13.141 -29.562 1.00 0.00 O ATOM 597 OD2 ASP A 39 -2.862 -12.683 -31.514 1.00 0.00 O ATOM 0 H ASP A 39 -0.323 -9.992 -28.189 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.484 -9.962 -30.226 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.830 -11.908 -30.238 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.462 -12.348 -28.663 1.00 0.00 H new ATOM 602 N ALA A 40 -2.592 -10.483 -26.969 1.00 0.00 N ATOM 603 CA ALA A 40 -3.449 -10.394 -25.799 1.00 0.00 C ATOM 604 C ALA A 40 -3.505 -8.962 -25.278 1.00 0.00 C ATOM 605 O ALA A 40 -4.534 -8.287 -25.383 1.00 0.00 O ATOM 606 CB ALA A 40 -2.958 -11.335 -24.714 1.00 0.00 C ATOM 0 H ALA A 40 -1.621 -10.718 -26.762 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.457 -10.691 -26.088 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.609 -11.258 -23.843 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.971 -12.359 -25.087 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.941 -11.065 -24.431 1.00 0.00 H new ATOM 612 N GLY A 41 -2.398 -8.500 -24.724 1.00 0.00 N ATOM 613 CA GLY A 41 -2.336 -7.151 -24.217 1.00 0.00 C ATOM 614 C GLY A 41 -0.923 -6.729 -23.947 1.00 0.00 C ATOM 615 O GLY A 41 -0.061 -7.572 -23.736 1.00 0.00 O ATOM 0 H GLY A 41 -1.538 -9.039 -24.617 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.789 -6.470 -24.937 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.920 -7.079 -23.299 1.00 0.00 H new ATOM 619 N HIS A 42 -0.684 -5.432 -23.923 1.00 0.00 N ATOM 620 CA HIS A 42 0.663 -4.895 -23.747 1.00 0.00 C ATOM 621 C HIS A 42 1.042 -4.717 -22.295 1.00 0.00 C ATOM 622 O HIS A 42 1.969 -3.986 -21.976 1.00 0.00 O ATOM 623 CB HIS A 42 0.872 -3.597 -24.529 1.00 0.00 C ATOM 624 CG HIS A 42 1.271 -3.825 -25.946 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.511 -3.445 -27.023 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.379 -4.396 -26.458 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.133 -3.777 -28.135 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.269 -4.357 -27.815 1.00 0.00 N ATOM 0 H HIS A 42 -1.408 -4.721 -24.024 1.00 0.00 H new ATOM 0 HA HIS A 42 1.335 -5.647 -24.161 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.049 -3.014 -24.507 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.638 -3.001 -24.034 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.203 -4.809 -25.895 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.772 -3.603 -29.138 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.956 -4.719 -28.476 1.00 0.00 H new ATOM 637 N LYS A 43 0.336 -5.380 -21.418 1.00 0.00 N ATOM 638 CA LYS A 43 0.719 -5.389 -20.031 1.00 0.00 C ATOM 639 C LYS A 43 1.541 -6.638 -19.742 1.00 0.00 C ATOM 640 O LYS A 43 1.262 -7.715 -20.283 1.00 0.00 O ATOM 641 CB LYS A 43 -0.506 -5.336 -19.110 1.00 0.00 C ATOM 642 CG LYS A 43 -1.412 -6.556 -19.193 1.00 0.00 C ATOM 643 CD LYS A 43 -2.583 -6.430 -18.241 1.00 0.00 C ATOM 644 CE LYS A 43 -3.420 -7.698 -18.206 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.995 -8.038 -19.531 1.00 0.00 N ATOM 0 H LYS A 43 -0.502 -5.918 -21.637 1.00 0.00 H new ATOM 0 HA LYS A 43 1.318 -4.500 -19.833 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.166 -5.221 -18.081 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.090 -4.448 -19.354 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.779 -6.672 -20.213 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.841 -7.454 -18.956 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.215 -6.210 -17.239 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.208 -5.590 -18.543 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.803 -8.527 -17.858 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.227 -7.576 -17.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.637 -8.850 -19.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.523 -7.222 -19.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.228 -8.281 -20.190 1.00 0.00 H new ATOM 659 N CYS A 44 2.562 -6.484 -18.928 1.00 0.00 N ATOM 660 CA CYS A 44 3.358 -7.599 -18.469 1.00 0.00 C ATOM 661 C CYS A 44 2.455 -8.565 -17.694 1.00 0.00 C ATOM 662 O CYS A 44 1.705 -8.142 -16.806 1.00 0.00 O ATOM 663 CB CYS A 44 4.500 -7.077 -17.586 1.00 0.00 C ATOM 664 SG CYS A 44 5.637 -8.346 -16.936 1.00 0.00 S ATOM 0 H CYS A 44 2.864 -5.580 -18.565 1.00 0.00 H new ATOM 0 HA CYS A 44 3.796 -8.132 -19.313 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.080 -6.356 -18.162 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.067 -6.538 -16.744 1.00 0.00 H new ATOM 0 HG CYS A 44 6.055 -7.991 -15.757 1.00 0.00 H new ATOM 669 N PRO A 45 2.515 -9.864 -18.012 1.00 0.00 N ATOM 670 CA PRO A 45 1.586 -10.862 -17.466 1.00 0.00 C ATOM 671 C PRO A 45 1.638 -10.978 -15.943 1.00 0.00 C ATOM 672 O PRO A 45 0.637 -11.302 -15.307 1.00 0.00 O ATOM 673 CB PRO A 45 2.035 -12.173 -18.131 1.00 0.00 C ATOM 674 CG PRO A 45 3.445 -11.921 -18.537 1.00 0.00 C ATOM 675 CD PRO A 45 3.493 -10.475 -18.931 1.00 0.00 C ATOM 0 HA PRO A 45 0.550 -10.593 -17.674 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.965 -13.013 -17.440 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.411 -12.415 -18.991 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.133 -12.128 -17.717 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.736 -12.564 -19.367 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.489 -10.052 -18.804 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.216 -10.329 -19.975 1.00 0.00 H new ATOM 683 N VAL A 46 2.785 -10.700 -15.354 1.00 0.00 N ATOM 684 CA VAL A 46 2.910 -10.827 -13.917 1.00 0.00 C ATOM 685 C VAL A 46 2.699 -9.497 -13.170 1.00 0.00 C ATOM 686 O VAL A 46 1.822 -9.400 -12.310 1.00 0.00 O ATOM 687 CB VAL A 46 4.233 -11.534 -13.490 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.451 -10.821 -14.041 1.00 0.00 C ATOM 689 CG2 VAL A 46 4.322 -11.660 -11.974 1.00 0.00 C ATOM 0 H VAL A 46 3.628 -10.391 -15.838 1.00 0.00 H new ATOM 0 HA VAL A 46 2.092 -11.479 -13.611 1.00 0.00 H new ATOM 0 HB VAL A 46 4.216 -12.537 -13.916 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.353 -11.343 -13.722 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.404 -10.809 -15.130 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.473 -9.797 -13.668 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.254 -12.157 -11.704 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.296 -10.667 -11.524 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.479 -12.246 -11.608 1.00 0.00 H new ATOM 699 N ASP A 47 3.461 -8.469 -13.514 1.00 0.00 N ATOM 700 CA ASP A 47 3.420 -7.217 -12.746 1.00 0.00 C ATOM 701 C ASP A 47 2.630 -6.120 -13.441 1.00 0.00 C ATOM 702 O ASP A 47 2.558 -4.997 -12.944 1.00 0.00 O ATOM 703 CB ASP A 47 4.841 -6.735 -12.401 1.00 0.00 C ATOM 704 CG ASP A 47 5.760 -6.618 -13.606 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.294 -6.385 -14.719 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.978 -6.791 -13.463 1.00 0.00 O ATOM 0 H ASP A 47 4.106 -8.467 -14.304 1.00 0.00 H new ATOM 0 HA ASP A 47 2.891 -7.441 -11.819 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.776 -5.764 -11.910 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.284 -7.426 -11.684 1.00 0.00 H new ATOM 711 N ASN A 48 2.024 -6.462 -14.572 1.00 0.00 N ATOM 712 CA ASN A 48 1.111 -5.570 -15.312 1.00 0.00 C ATOM 713 C ASN A 48 1.748 -4.232 -15.697 1.00 0.00 C ATOM 714 O ASN A 48 1.053 -3.229 -15.857 1.00 0.00 O ATOM 715 CB ASN A 48 -0.205 -5.345 -14.542 1.00 0.00 C ATOM 716 CG ASN A 48 -1.182 -6.524 -14.596 1.00 0.00 C ATOM 717 OD1 ASN A 48 -2.396 -6.336 -14.474 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.683 -7.729 -14.796 1.00 0.00 N ATOM 0 H ASN A 48 2.148 -7.373 -15.013 1.00 0.00 H new ATOM 0 HA ASN A 48 0.886 -6.087 -16.245 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.031 -5.132 -13.499 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.700 -4.461 -14.944 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.305 -8.535 -14.853 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.325 -7.854 -14.893 1.00 0.00 H new ATOM 725 N GLU A 49 3.048 -4.230 -15.898 1.00 0.00 N ATOM 726 CA GLU A 49 3.730 -3.042 -16.382 1.00 0.00 C ATOM 727 C GLU A 49 3.533 -2.942 -17.883 1.00 0.00 C ATOM 728 O GLU A 49 3.453 -3.965 -18.558 1.00 0.00 O ATOM 729 CB GLU A 49 5.222 -3.115 -16.049 1.00 0.00 C ATOM 730 CG GLU A 49 5.523 -3.054 -14.563 1.00 0.00 C ATOM 731 CD GLU A 49 5.123 -1.736 -13.949 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.682 -0.689 -14.347 1.00 0.00 O ATOM 733 OE2 GLU A 49 4.254 -1.726 -13.052 1.00 0.00 O ATOM 0 H GLU A 49 3.655 -5.033 -15.735 1.00 0.00 H new ATOM 0 HA GLU A 49 3.315 -2.158 -15.897 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.630 -4.041 -16.455 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.736 -2.294 -16.548 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.997 -3.863 -14.055 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.589 -3.217 -14.404 1.00 0.00 H new ATOM 740 N ILE A 50 3.424 -1.732 -18.407 1.00 0.00 N ATOM 741 CA ILE A 50 3.255 -1.572 -19.845 1.00 0.00 C ATOM 742 C ILE A 50 4.526 -2.010 -20.563 1.00 0.00 C ATOM 743 O ILE A 50 5.617 -1.457 -20.346 1.00 0.00 O ATOM 744 CB ILE A 50 2.874 -0.121 -20.238 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.543 0.283 -19.580 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.786 0.029 -21.757 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.356 -0.574 -19.984 1.00 0.00 C ATOM 0 H ILE A 50 3.448 -0.863 -17.874 1.00 0.00 H new ATOM 0 HA ILE A 50 2.425 -2.207 -20.155 1.00 0.00 H new ATOM 0 HB ILE A 50 3.658 0.545 -19.876 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.658 0.235 -18.497 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.328 1.321 -19.832 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.517 1.056 -22.006 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.751 -0.212 -22.203 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.027 -0.649 -22.146 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.539 -0.219 -19.474 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.210 -0.508 -21.062 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.545 -1.611 -19.707 1.00 0.00 H new ATOM 759 N LEU A 51 4.379 -3.000 -21.400 1.00 0.00 N ATOM 760 CA LEU A 51 5.484 -3.642 -22.044 1.00 0.00 C ATOM 761 C LEU A 51 5.297 -3.633 -23.556 1.00 0.00 C ATOM 762 O LEU A 51 4.227 -3.970 -24.056 1.00 0.00 O ATOM 763 CB LEU A 51 5.583 -5.071 -21.516 1.00 0.00 C ATOM 764 CG LEU A 51 6.759 -5.903 -21.989 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.065 -5.253 -21.564 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.649 -7.302 -21.415 1.00 0.00 C ATOM 0 H LEU A 51 3.471 -3.387 -21.656 1.00 0.00 H new ATOM 0 HA LEU A 51 6.408 -3.106 -21.825 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.616 -5.028 -20.427 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.667 -5.596 -21.787 1.00 0.00 H new ATOM 0 HG LEU A 51 6.746 -5.963 -23.077 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.902 -5.859 -21.909 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.134 -4.257 -22.000 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.096 -5.176 -20.477 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.494 -7.902 -21.754 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.655 -7.250 -20.326 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.720 -7.761 -21.752 1.00 0.00 H new ATOM 778 N LEU A 52 6.330 -3.236 -24.270 1.00 0.00 N ATOM 779 CA LEU A 52 6.292 -3.170 -25.725 1.00 0.00 C ATOM 780 C LEU A 52 7.328 -4.128 -26.303 1.00 0.00 C ATOM 781 O LEU A 52 8.294 -4.470 -25.617 1.00 0.00 O ATOM 782 CB LEU A 52 6.565 -1.738 -26.231 1.00 0.00 C ATOM 783 CG LEU A 52 5.578 -0.619 -25.820 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.133 -1.016 -26.083 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.784 -0.170 -24.378 1.00 0.00 C ATOM 0 H LEU A 52 7.220 -2.949 -23.863 1.00 0.00 H new ATOM 0 HA LEU A 52 5.294 -3.458 -26.055 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.559 -1.448 -25.890 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.598 -1.770 -27.320 1.00 0.00 H new ATOM 0 HG LEU A 52 5.799 0.241 -26.453 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.472 -0.204 -25.781 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.999 -1.217 -27.146 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.892 -1.912 -25.511 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.069 0.616 -24.136 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.633 -1.017 -23.708 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.798 0.212 -24.257 1.00 0.00 H new ATOM 797 N GLU A 53 7.130 -4.556 -27.551 1.00 0.00 N ATOM 798 CA GLU A 53 8.022 -5.534 -28.195 1.00 0.00 C ATOM 799 C GLU A 53 9.446 -4.995 -28.288 1.00 0.00 C ATOM 800 O GLU A 53 10.411 -5.731 -28.104 1.00 0.00 O ATOM 801 CB GLU A 53 7.541 -5.903 -29.611 1.00 0.00 C ATOM 802 CG GLU A 53 6.130 -6.475 -29.698 1.00 0.00 C ATOM 803 CD GLU A 53 5.069 -5.394 -29.764 1.00 0.00 C ATOM 804 OE1 GLU A 53 4.643 -4.898 -28.712 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.664 -5.026 -30.887 1.00 0.00 O ATOM 0 H GLU A 53 6.359 -4.242 -28.141 1.00 0.00 H new ATOM 0 HA GLU A 53 8.004 -6.428 -27.572 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.592 -5.012 -30.237 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.235 -6.629 -30.034 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.053 -7.110 -30.580 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.944 -7.109 -28.831 1.00 0.00 H new ATOM 812 N ASN A 54 9.561 -3.709 -28.569 1.00 0.00 N ATOM 813 CA ASN A 54 10.854 -3.035 -28.666 1.00 0.00 C ATOM 814 C ASN A 54 11.560 -3.019 -27.314 1.00 0.00 C ATOM 815 O ASN A 54 12.784 -3.048 -27.237 1.00 0.00 O ATOM 816 CB ASN A 54 10.672 -1.605 -29.191 1.00 0.00 C ATOM 817 CG ASN A 54 11.982 -0.846 -29.315 1.00 0.00 C ATOM 818 OD1 ASN A 54 12.707 -1.003 -30.297 1.00 0.00 O ATOM 819 ND2 ASN A 54 12.282 -0.005 -28.345 1.00 0.00 N ATOM 0 H ASN A 54 8.762 -3.097 -28.737 1.00 0.00 H new ATOM 0 HA ASN A 54 11.476 -3.589 -29.369 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.186 -1.641 -30.166 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.005 -1.061 -28.522 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.141 0.543 -28.393 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.655 0.097 -27.547 1.00 0.00 H new ATOM 826 N GLN A 55 10.768 -2.988 -26.260 1.00 0.00 N ATOM 827 CA GLN A 55 11.272 -2.885 -24.897 1.00 0.00 C ATOM 828 C GLN A 55 11.754 -4.234 -24.364 1.00 0.00 C ATOM 829 O GLN A 55 12.385 -4.302 -23.309 1.00 0.00 O ATOM 830 CB GLN A 55 10.202 -2.292 -23.981 1.00 0.00 C ATOM 831 CG GLN A 55 9.774 -0.891 -24.381 1.00 0.00 C ATOM 832 CD GLN A 55 10.912 0.101 -24.313 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.651 0.282 -25.281 1.00 0.00 O ATOM 834 NE2 GLN A 55 11.055 0.751 -23.183 1.00 0.00 N ATOM 0 H GLN A 55 9.751 -3.034 -26.321 1.00 0.00 H new ATOM 0 HA GLN A 55 12.134 -2.218 -24.912 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.329 -2.945 -23.984 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.581 -2.270 -22.959 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.374 -0.912 -25.395 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.967 -0.560 -23.727 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.419 0.569 -22.406 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.802 1.438 -23.081 1.00 0.00 H new ATOM 843 N LEU A 56 11.428 -5.296 -25.077 1.00 0.00 N ATOM 844 CA LEU A 56 11.877 -6.630 -24.716 1.00 0.00 C ATOM 845 C LEU A 56 13.327 -6.771 -25.116 1.00 0.00 C ATOM 846 O LEU A 56 13.618 -7.024 -26.300 1.00 0.00 O ATOM 847 CB LEU A 56 11.059 -7.657 -25.481 1.00 0.00 C ATOM 848 CG LEU A 56 9.562 -7.624 -25.255 1.00 0.00 C ATOM 849 CD1 LEU A 56 8.883 -8.599 -26.185 1.00 0.00 C ATOM 850 CD2 LEU A 56 9.245 -7.958 -23.817 1.00 0.00 C ATOM 0 H LEU A 56 10.849 -5.261 -25.916 1.00 0.00 H new ATOM 0 HA LEU A 56 11.758 -6.787 -23.644 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.248 -7.521 -26.546 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.423 -8.650 -25.217 1.00 0.00 H new ATOM 0 HG LEU A 56 9.191 -6.621 -25.466 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.806 -8.571 -26.018 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.097 -8.326 -27.218 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.254 -9.605 -25.991 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.166 -7.931 -23.667 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.619 -8.955 -23.584 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.721 -7.229 -23.161 1.00 0.00 H new