USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 30 THR OG1 : rot 136:sc= 0.147 USER MOD Set 1.2: A 33 GLN : amide:sc= -0.233 X(o=-0.086,f=0.15) USER MOD Set 2.1: A 9 SER OG : rot 77:sc= 0.1 USER MOD Set 2.2: A 26 SER OG : rot 170:sc= -0.974 USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0.122 USER MOD Set 3.2: A 21 GLN : amide:sc= 0.251 X(o=0.37,f=-0.12) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -1.04 (180deg=-1.04) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0142 F(o=-0.67,f=-0.014) USER MOD Single : A 53 ASN : amide:sc=-0.00524 X(o=-0.0052,f=-0.0078) USER MOD Single : A 66 CYS SG : rot -71:sc= -4.85! USER MOD Single : A 67 THR OG1 : rot -92:sc= 0.0526 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.009 1.164 4.492 1.00 0.00 N ATOM 79 CA SER A 9 -11.132 0.167 3.903 1.00 0.00 C ATOM 80 C SER A 9 -11.920 -1.109 3.599 1.00 0.00 C ATOM 81 O SER A 9 -13.008 -1.313 4.135 1.00 0.00 O ATOM 82 CB SER A 9 -9.953 -0.145 4.827 1.00 0.00 C ATOM 83 OG SER A 9 -9.257 -1.322 4.426 1.00 0.00 O ATOM 0 HA SER A 9 -10.732 0.570 2.973 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.264 0.699 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.315 -0.268 5.848 1.00 0.00 H new ATOM 0 HG SER A 9 -8.692 -1.120 3.651 1.00 0.00 H new ATOM 89 N LYS A 10 -11.340 -1.934 2.740 1.00 0.00 N ATOM 90 CA LYS A 10 -11.974 -3.184 2.358 1.00 0.00 C ATOM 91 C LYS A 10 -10.908 -4.274 2.231 1.00 0.00 C ATOM 92 O LYS A 10 -9.730 -3.976 2.039 1.00 0.00 O ATOM 93 CB LYS A 10 -12.814 -2.995 1.093 1.00 0.00 C ATOM 94 CG LYS A 10 -11.944 -2.537 -0.079 1.00 0.00 C ATOM 95 CD LYS A 10 -12.574 -1.341 -0.796 1.00 0.00 C ATOM 96 CE LYS A 10 -11.884 -1.078 -2.135 1.00 0.00 C ATOM 97 NZ LYS A 10 -12.871 -0.653 -3.153 1.00 0.00 N ATOM 0 H LYS A 10 -10.437 -1.761 2.298 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.672 -3.508 3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.310 -3.932 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.597 -2.260 1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.952 -2.267 0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.813 -3.359 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.635 -1.529 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.501 -0.455 -0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.123 -0.307 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.372 -1.980 -2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.385 -0.479 -4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.582 -1.401 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.340 0.220 -2.838 1.00 0.00 H new ATOM 111 N PRO A 11 -11.372 -5.548 2.345 1.00 0.00 N ATOM 112 CA PRO A 11 -10.471 -6.683 2.245 1.00 0.00 C ATOM 113 C PRO A 11 -10.056 -6.928 0.793 1.00 0.00 C ATOM 114 O PRO A 11 -10.878 -7.326 -0.032 1.00 0.00 O ATOM 115 CB PRO A 11 -11.239 -7.849 2.848 1.00 0.00 C ATOM 116 CG PRO A 11 -12.701 -7.434 2.838 1.00 0.00 C ATOM 117 CD PRO A 11 -12.760 -5.939 2.572 1.00 0.00 C ATOM 0 HA PRO A 11 -9.533 -6.523 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.087 -8.759 2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.899 -8.058 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.247 -7.980 2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.171 -7.671 3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.381 -5.715 1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.189 -5.403 3.418 1.00 0.00 H new ATOM 125 N ILE A 12 -8.783 -6.680 0.525 1.00 0.00 N ATOM 126 CA ILE A 12 -8.250 -6.869 -0.814 1.00 0.00 C ATOM 127 C ILE A 12 -7.314 -8.079 -0.820 1.00 0.00 C ATOM 128 O ILE A 12 -6.893 -8.548 0.237 1.00 0.00 O ATOM 129 CB ILE A 12 -7.593 -5.581 -1.315 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.406 -5.191 -0.431 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.618 -4.451 -1.430 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.406 -4.329 -1.205 1.00 0.00 C ATOM 0 H ILE A 12 -8.105 -6.350 1.212 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.054 -7.085 -1.517 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.202 -5.764 -2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.762 -4.645 0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.910 -6.090 -0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.125 -3.547 -1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.401 -4.740 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.060 -4.260 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.572 -4.066 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.033 -4.887 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.899 -3.420 -1.549 1.00 0.00 H new ATOM 144 N LYS A 13 -7.014 -8.550 -2.021 1.00 0.00 N ATOM 145 CA LYS A 13 -6.136 -9.696 -2.178 1.00 0.00 C ATOM 146 C LYS A 13 -4.841 -9.251 -2.860 1.00 0.00 C ATOM 147 O LYS A 13 -4.875 -8.648 -3.932 1.00 0.00 O ATOM 148 CB LYS A 13 -6.858 -10.829 -2.910 1.00 0.00 C ATOM 149 CG LYS A 13 -7.315 -11.911 -1.930 1.00 0.00 C ATOM 150 CD LYS A 13 -6.297 -13.052 -1.860 1.00 0.00 C ATOM 151 CE LYS A 13 -6.933 -14.319 -1.284 1.00 0.00 C ATOM 152 NZ LYS A 13 -6.572 -14.478 0.142 1.00 0.00 N ATOM 0 H LYS A 13 -7.364 -8.158 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.862 -10.101 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.720 -10.430 -3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.194 -11.266 -3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.449 -11.477 -0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.284 -12.302 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.906 -13.258 -2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.451 -12.752 -1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.017 -14.268 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.599 -15.190 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.012 -15.343 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.538 -14.548 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.912 -13.655 0.680 1.00 0.00 H new ATOM 166 N VAL A 14 -3.729 -9.565 -2.211 1.00 0.00 N ATOM 167 CA VAL A 14 -2.425 -9.205 -2.742 1.00 0.00 C ATOM 168 C VAL A 14 -1.624 -10.478 -3.020 1.00 0.00 C ATOM 169 O VAL A 14 -1.235 -11.187 -2.093 1.00 0.00 O ATOM 170 CB VAL A 14 -1.715 -8.250 -1.780 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.256 -8.044 -2.191 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.453 -6.913 -1.690 1.00 0.00 C ATOM 0 H VAL A 14 -3.704 -10.065 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.530 -8.674 -3.688 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.724 -8.704 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.226 -7.361 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.264 -9.002 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.217 -7.622 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.927 -6.253 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.490 -6.451 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.468 -7.081 -1.329 1.00 0.00 H new ATOM 182 N THR A 15 -1.400 -10.730 -4.302 1.00 0.00 N ATOM 183 CA THR A 15 -0.652 -11.905 -4.715 1.00 0.00 C ATOM 184 C THR A 15 0.851 -11.618 -4.685 1.00 0.00 C ATOM 185 O THR A 15 1.309 -10.630 -5.256 1.00 0.00 O ATOM 186 CB THR A 15 -1.162 -12.331 -6.093 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.473 -12.828 -5.839 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.406 -13.539 -6.649 1.00 0.00 C ATOM 0 H THR A 15 -1.724 -10.140 -5.068 1.00 0.00 H new ATOM 0 HA THR A 15 -0.807 -12.735 -4.025 1.00 0.00 H new ATOM 0 HB THR A 15 -1.072 -11.496 -6.788 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.879 -13.125 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.807 -13.800 -7.628 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.652 -13.294 -6.744 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.523 -14.385 -5.972 1.00 0.00 H new ATOM 196 N LEU A 16 1.576 -12.500 -4.013 1.00 0.00 N ATOM 197 CA LEU A 16 3.017 -12.354 -3.902 1.00 0.00 C ATOM 198 C LEU A 16 3.652 -12.532 -5.282 1.00 0.00 C ATOM 199 O LEU A 16 3.033 -13.090 -6.187 1.00 0.00 O ATOM 200 CB LEU A 16 3.572 -13.308 -2.842 1.00 0.00 C ATOM 201 CG LEU A 16 2.978 -13.171 -1.439 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.249 -14.424 -0.604 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.484 -11.902 -0.750 1.00 0.00 C ATOM 0 H LEU A 16 1.192 -13.318 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 16 3.273 -11.351 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.413 -14.331 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.650 -13.158 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 16 1.896 -13.075 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.816 -14.300 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.800 -15.290 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.325 -14.576 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.046 -11.829 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.570 -11.942 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.197 -11.030 -1.337 1.00 0.00 H new ATOM 215 N PRO A 17 4.912 -12.035 -5.404 1.00 0.00 N ATOM 216 CA PRO A 17 5.637 -12.134 -6.659 1.00 0.00 C ATOM 217 C PRO A 17 6.141 -13.560 -6.891 1.00 0.00 C ATOM 218 O PRO A 17 6.828 -13.827 -7.876 1.00 0.00 O ATOM 219 CB PRO A 17 6.762 -11.118 -6.545 1.00 0.00 C ATOM 220 CG PRO A 17 6.907 -10.822 -5.061 1.00 0.00 C ATOM 221 CD PRO A 17 5.676 -11.368 -4.355 1.00 0.00 C ATOM 0 HA PRO A 17 5.010 -11.919 -7.524 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.690 -11.515 -6.957 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.528 -10.211 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.811 -11.285 -4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.999 -9.749 -4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.950 -12.064 -3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.098 -10.568 -3.892 1.00 0.00 H new ATOM 229 N ASP A 18 5.779 -14.438 -5.967 1.00 0.00 N ATOM 230 CA ASP A 18 6.186 -15.830 -6.058 1.00 0.00 C ATOM 231 C ASP A 18 5.005 -16.670 -6.549 1.00 0.00 C ATOM 232 O ASP A 18 5.182 -17.817 -6.959 1.00 0.00 O ATOM 233 CB ASP A 18 6.614 -16.369 -4.692 1.00 0.00 C ATOM 234 CG ASP A 18 6.766 -17.890 -4.616 1.00 0.00 C ATOM 235 OD1 ASP A 18 7.808 -18.381 -5.100 1.00 0.00 O ATOM 236 OD2 ASP A 18 5.836 -18.526 -4.074 1.00 0.00 O ATOM 0 H ASP A 18 5.209 -14.213 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 18 7.027 -15.892 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.564 -15.910 -4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.882 -16.054 -3.948 1.00 0.00 H new ATOM 241 N GLY A 19 3.827 -16.068 -6.492 1.00 0.00 N ATOM 242 CA GLY A 19 2.617 -16.746 -6.926 1.00 0.00 C ATOM 243 C GLY A 19 1.624 -16.888 -5.771 1.00 0.00 C ATOM 244 O GLY A 19 0.412 -16.864 -5.982 1.00 0.00 O ATOM 0 H GLY A 19 3.684 -15.117 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.155 -16.188 -7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.869 -17.732 -7.317 1.00 0.00 H new ATOM 248 N LYS A 20 2.174 -17.033 -4.574 1.00 0.00 N ATOM 249 CA LYS A 20 1.351 -17.178 -3.385 1.00 0.00 C ATOM 250 C LYS A 20 0.403 -15.982 -3.276 1.00 0.00 C ATOM 251 O LYS A 20 0.595 -14.970 -3.949 1.00 0.00 O ATOM 252 CB LYS A 20 2.228 -17.382 -2.148 1.00 0.00 C ATOM 253 CG LYS A 20 2.355 -18.868 -1.805 1.00 0.00 C ATOM 254 CD LYS A 20 1.100 -19.375 -1.092 1.00 0.00 C ATOM 255 CE LYS A 20 1.289 -19.361 0.426 1.00 0.00 C ATOM 256 NZ LYS A 20 -0.015 -19.202 1.109 1.00 0.00 N ATOM 0 H LYS A 20 3.179 -17.053 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 20 0.730 -18.071 -3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.217 -16.960 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.800 -16.845 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.517 -19.443 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.227 -19.025 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.247 -18.752 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.873 -20.388 -1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.764 -20.288 0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.956 -18.546 0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.131 -19.194 2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.454 -18.306 0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.639 -19.994 0.854 1.00 0.00 H new ATOM 270 N GLN A 21 -0.600 -16.138 -2.425 1.00 0.00 N ATOM 271 CA GLN A 21 -1.578 -15.083 -2.219 1.00 0.00 C ATOM 272 C GLN A 21 -1.681 -14.737 -0.733 1.00 0.00 C ATOM 273 O GLN A 21 -1.414 -15.578 0.124 1.00 0.00 O ATOM 274 CB GLN A 21 -2.942 -15.483 -2.785 1.00 0.00 C ATOM 275 CG GLN A 21 -2.855 -15.749 -4.289 1.00 0.00 C ATOM 276 CD GLN A 21 -4.239 -15.681 -4.939 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.855 -16.686 -5.254 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.692 -14.444 -5.120 1.00 0.00 N ATOM 0 H GLN A 21 -0.757 -16.979 -1.870 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.244 -14.195 -2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.304 -16.376 -2.275 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.666 -14.691 -2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.195 -15.017 -4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.415 -16.731 -4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.125 -13.646 -4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.607 -14.293 -5.546 1.00 0.00 H new ATOM 287 N VAL A 22 -2.069 -13.497 -0.472 1.00 0.00 N ATOM 288 CA VAL A 22 -2.211 -13.029 0.896 1.00 0.00 C ATOM 289 C VAL A 22 -3.425 -12.103 0.991 1.00 0.00 C ATOM 290 O VAL A 22 -3.897 -11.588 -0.021 1.00 0.00 O ATOM 291 CB VAL A 22 -0.913 -12.363 1.358 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.960 -12.051 2.856 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.300 -13.230 1.016 1.00 0.00 C ATOM 0 H VAL A 22 -2.289 -12.802 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.389 -13.867 1.570 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.811 -11.419 0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.026 -11.578 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.791 -11.376 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.097 -12.976 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.209 -12.734 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.208 -14.196 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.349 -13.379 -0.063 1.00 0.00 H new ATOM 303 N ASP A 23 -3.896 -11.921 2.216 1.00 0.00 N ATOM 304 CA ASP A 23 -5.046 -11.066 2.456 1.00 0.00 C ATOM 305 C ASP A 23 -4.566 -9.695 2.937 1.00 0.00 C ATOM 306 O ASP A 23 -3.776 -9.604 3.876 1.00 0.00 O ATOM 307 CB ASP A 23 -5.954 -11.655 3.538 1.00 0.00 C ATOM 308 CG ASP A 23 -5.265 -11.945 4.872 1.00 0.00 C ATOM 309 OD1 ASP A 23 -4.432 -12.877 4.890 1.00 0.00 O ATOM 310 OD2 ASP A 23 -5.586 -11.228 5.845 1.00 0.00 O ATOM 0 H ASP A 23 -3.502 -12.351 3.053 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.604 -10.982 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.779 -10.964 3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.389 -12.581 3.162 1.00 0.00 H new ATOM 315 N ALA A 24 -5.062 -8.663 2.271 1.00 0.00 N ATOM 316 CA ALA A 24 -4.693 -7.301 2.618 1.00 0.00 C ATOM 317 C ALA A 24 -5.948 -6.425 2.632 1.00 0.00 C ATOM 318 O ALA A 24 -7.033 -6.883 2.276 1.00 0.00 O ATOM 319 CB ALA A 24 -3.637 -6.791 1.635 1.00 0.00 C ATOM 0 H ALA A 24 -5.716 -8.742 1.493 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.254 -7.265 3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.361 -5.769 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.755 -7.430 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.042 -6.810 0.623 1.00 0.00 H new ATOM 325 N GLU A 25 -5.758 -5.181 3.046 1.00 0.00 N ATOM 326 CA GLU A 25 -6.861 -4.237 3.111 1.00 0.00 C ATOM 327 C GLU A 25 -6.445 -2.893 2.511 1.00 0.00 C ATOM 328 O GLU A 25 -5.343 -2.409 2.767 1.00 0.00 O ATOM 329 CB GLU A 25 -7.354 -4.068 4.549 1.00 0.00 C ATOM 330 CG GLU A 25 -8.136 -5.299 5.010 1.00 0.00 C ATOM 331 CD GLU A 25 -9.577 -4.931 5.368 1.00 0.00 C ATOM 332 OE1 GLU A 25 -9.740 -4.130 6.313 1.00 0.00 O ATOM 333 OE2 GLU A 25 -10.483 -5.460 4.688 1.00 0.00 O ATOM 0 H GLU A 25 -4.857 -4.805 3.340 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.689 -4.634 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.504 -3.904 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.987 -3.184 4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.134 -6.052 4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.645 -5.743 5.876 1.00 0.00 H new ATOM 340 N SER A 26 -7.348 -2.327 1.725 1.00 0.00 N ATOM 341 CA SER A 26 -7.089 -1.047 1.087 1.00 0.00 C ATOM 342 C SER A 26 -6.949 0.047 2.147 1.00 0.00 C ATOM 343 O SER A 26 -7.789 0.164 3.038 1.00 0.00 O ATOM 344 CB SER A 26 -8.200 -0.690 0.097 1.00 0.00 C ATOM 345 OG SER A 26 -9.484 -0.688 0.715 1.00 0.00 O ATOM 0 H SER A 26 -8.261 -2.731 1.515 1.00 0.00 H new ATOM 0 HA SER A 26 -6.155 -1.125 0.530 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.002 0.293 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.195 -1.404 -0.727 1.00 0.00 H new ATOM 0 HG SER A 26 -10.142 -0.302 0.100 1.00 0.00 H new ATOM 351 N TRP A 27 -5.882 0.822 2.015 1.00 0.00 N ATOM 352 CA TRP A 27 -5.622 1.903 2.950 1.00 0.00 C ATOM 353 C TRP A 27 -5.492 1.297 4.349 1.00 0.00 C ATOM 354 O TRP A 27 -5.883 1.917 5.337 1.00 0.00 O ATOM 355 CB TRP A 27 -6.708 2.977 2.862 1.00 0.00 C ATOM 356 CG TRP A 27 -7.215 3.235 1.442 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.348 2.796 0.878 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.556 4.015 0.422 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.467 3.234 -0.425 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.343 3.999 -0.711 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.335 4.712 0.457 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -6.996 4.662 -1.895 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.003 5.369 -0.734 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.784 5.362 -1.884 1.00 0.00 C ATOM 0 H TRP A 27 -5.188 0.722 1.274 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.690 2.411 2.703 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.549 2.681 3.489 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.317 3.908 3.272 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.077 2.177 1.380 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.238 3.033 -1.061 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.704 4.738 1.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.629 4.635 -2.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.075 5.920 -0.761 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.457 5.894 -2.765 1.00 0.00 H new ATOM 375 N LYS A 28 -4.942 0.092 4.388 1.00 0.00 N ATOM 376 CA LYS A 28 -4.756 -0.605 5.650 1.00 0.00 C ATOM 377 C LYS A 28 -3.386 -1.287 5.654 1.00 0.00 C ATOM 378 O LYS A 28 -2.533 -0.969 6.480 1.00 0.00 O ATOM 379 CB LYS A 28 -5.921 -1.562 5.910 1.00 0.00 C ATOM 380 CG LYS A 28 -6.960 -0.924 6.834 1.00 0.00 C ATOM 381 CD LYS A 28 -7.849 -1.989 7.478 1.00 0.00 C ATOM 382 CE LYS A 28 -9.164 -1.382 7.969 1.00 0.00 C ATOM 383 NZ LYS A 28 -9.443 -1.804 9.360 1.00 0.00 N ATOM 0 H LYS A 28 -4.619 -0.419 3.567 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.763 0.101 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.389 -1.835 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.547 -2.482 6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.456 -0.348 7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.576 -0.226 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.056 -2.779 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.323 -2.450 8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.111 -0.295 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.981 -1.693 7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.339 -1.383 9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.514 -2.841 9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.672 -1.485 9.981 1.00 0.00 H new ATOM 397 N THR A 29 -3.219 -2.212 4.720 1.00 0.00 N ATOM 398 CA THR A 29 -1.968 -2.941 4.605 1.00 0.00 C ATOM 399 C THR A 29 -1.099 -2.339 3.499 1.00 0.00 C ATOM 400 O THR A 29 -1.607 -1.667 2.602 1.00 0.00 O ATOM 401 CB THR A 29 -2.300 -4.418 4.382 1.00 0.00 C ATOM 402 OG1 THR A 29 -2.945 -4.815 5.589 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.049 -5.297 4.322 1.00 0.00 C ATOM 0 H THR A 29 -3.929 -2.473 4.036 1.00 0.00 H new ATOM 0 HA THR A 29 -1.378 -2.860 5.518 1.00 0.00 H new ATOM 0 HB THR A 29 -2.865 -4.527 3.456 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.196 -5.760 5.530 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.341 -6.335 4.162 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.413 -4.969 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.501 -5.215 5.261 1.00 0.00 H new ATOM 411 N THR A 30 0.196 -2.603 3.597 1.00 0.00 N ATOM 412 CA THR A 30 1.140 -2.096 2.616 1.00 0.00 C ATOM 413 C THR A 30 2.002 -3.234 2.068 1.00 0.00 C ATOM 414 O THR A 30 1.935 -4.360 2.558 1.00 0.00 O ATOM 415 CB THR A 30 1.953 -0.980 3.275 1.00 0.00 C ATOM 416 OG1 THR A 30 3.016 -1.667 3.931 1.00 0.00 O ATOM 417 CG2 THR A 30 1.193 -0.295 4.412 1.00 0.00 C ATOM 0 H THR A 30 0.613 -3.162 4.341 1.00 0.00 H new ATOM 0 HA THR A 30 0.625 -1.676 1.752 1.00 0.00 H new ATOM 0 HB THR A 30 2.227 -0.239 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.859 -1.192 3.775 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.815 0.489 4.845 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.274 0.144 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.947 -1.029 5.180 1.00 0.00 H new ATOM 425 N PRO A 31 2.814 -2.893 1.031 1.00 0.00 N ATOM 426 CA PRO A 31 3.689 -3.873 0.411 1.00 0.00 C ATOM 427 C PRO A 31 4.895 -4.173 1.303 1.00 0.00 C ATOM 428 O PRO A 31 5.553 -5.200 1.139 1.00 0.00 O ATOM 429 CB PRO A 31 4.075 -3.265 -0.927 1.00 0.00 C ATOM 430 CG PRO A 31 3.783 -1.778 -0.809 1.00 0.00 C ATOM 431 CD PRO A 31 2.920 -1.569 0.425 1.00 0.00 C ATOM 0 HA PRO A 31 3.205 -4.839 0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.128 -3.440 -1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.502 -3.712 -1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.711 -1.212 -0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.269 -1.418 -1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.376 -0.855 1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.939 -1.175 0.160 1.00 0.00 H new ATOM 439 N TYR A 32 5.150 -3.258 2.226 1.00 0.00 N ATOM 440 CA TYR A 32 6.266 -3.411 3.144 1.00 0.00 C ATOM 441 C TYR A 32 5.954 -4.455 4.218 1.00 0.00 C ATOM 442 O TYR A 32 6.843 -5.178 4.664 1.00 0.00 O ATOM 443 CB TYR A 32 6.453 -2.048 3.813 1.00 0.00 C ATOM 444 CG TYR A 32 7.852 -1.824 4.389 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.962 -1.960 3.580 1.00 0.00 C ATOM 446 CD2 TYR A 32 8.004 -1.485 5.719 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.279 -1.749 4.123 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.322 -1.274 6.261 1.00 0.00 C ATOM 449 CZ TYR A 32 10.394 -1.417 5.437 1.00 0.00 C ATOM 450 OH TYR A 32 11.638 -1.217 5.949 1.00 0.00 O ATOM 0 H TYR A 32 4.603 -2.407 2.358 1.00 0.00 H new ATOM 0 HA TYR A 32 7.158 -3.741 2.611 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.242 -1.265 3.085 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.721 -1.944 4.614 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.843 -2.225 2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.136 -1.378 6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.156 -1.852 3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.456 -1.008 7.299 1.00 0.00 H new ATOM 0 HH TYR A 32 11.568 -0.985 6.899 1.00 0.00 H new ATOM 460 N GLN A 33 4.687 -4.499 4.603 1.00 0.00 N ATOM 461 CA GLN A 33 4.245 -5.442 5.617 1.00 0.00 C ATOM 462 C GLN A 33 4.127 -6.846 5.021 1.00 0.00 C ATOM 463 O GLN A 33 4.617 -7.814 5.600 1.00 0.00 O ATOM 464 CB GLN A 33 2.920 -4.998 6.240 1.00 0.00 C ATOM 465 CG GLN A 33 3.158 -4.194 7.519 1.00 0.00 C ATOM 466 CD GLN A 33 1.857 -3.567 8.023 1.00 0.00 C ATOM 467 OE1 GLN A 33 1.316 -3.939 9.052 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.386 -2.598 7.244 1.00 0.00 N ATOM 0 H GLN A 33 3.952 -3.897 4.231 1.00 0.00 H new ATOM 0 HA GLN A 33 4.991 -5.467 6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.362 -4.394 5.525 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.308 -5.872 6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.575 -4.844 8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.893 -3.412 7.330 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.889 -2.336 6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.522 -2.117 7.494 1.00 0.00 H new ATOM 477 N ILE A 34 3.474 -6.913 3.870 1.00 0.00 N ATOM 478 CA ILE A 34 3.286 -8.182 3.188 1.00 0.00 C ATOM 479 C ILE A 34 4.630 -8.905 3.085 1.00 0.00 C ATOM 480 O ILE A 34 4.797 -9.994 3.632 1.00 0.00 O ATOM 481 CB ILE A 34 2.597 -7.969 1.839 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.214 -7.342 2.022 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.534 -9.274 1.043 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.185 -8.005 1.104 1.00 0.00 C ATOM 0 H ILE A 34 3.068 -6.108 3.392 1.00 0.00 H new ATOM 0 HA ILE A 34 2.620 -8.827 3.761 1.00 0.00 H new ATOM 0 HB ILE A 34 3.194 -7.266 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.899 -7.444 3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.264 -6.274 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.039 -9.094 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.545 -9.641 0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.973 -10.018 1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.789 -7.540 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.490 -7.880 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.120 -9.068 1.338 1.00 0.00 H new ATOM 663 N ILE A 48 11.878 -1.218 -4.317 1.00 0.00 N ATOM 664 CA ILE A 48 10.581 -0.615 -4.576 1.00 0.00 C ATOM 665 C ILE A 48 9.553 -1.719 -4.834 1.00 0.00 C ATOM 666 O ILE A 48 9.829 -2.672 -5.560 1.00 0.00 O ATOM 667 CB ILE A 48 10.683 0.408 -5.710 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.396 1.677 -5.240 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.305 0.709 -6.301 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.579 2.399 -4.166 1.00 0.00 C ATOM 0 HA ILE A 48 10.239 -0.057 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 48 11.288 -0.024 -6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.379 1.421 -4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.558 2.343 -6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.405 1.439 -7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.870 -0.209 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.656 1.112 -5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.108 3.298 -3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.606 2.675 -4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.440 1.739 -3.310 1.00 0.00 H new ATOM 682 N ALA A 49 8.388 -1.552 -4.225 1.00 0.00 N ATOM 683 CA ALA A 49 7.318 -2.522 -4.379 1.00 0.00 C ATOM 684 C ALA A 49 6.378 -2.064 -5.497 1.00 0.00 C ATOM 685 O ALA A 49 5.967 -0.906 -5.532 1.00 0.00 O ATOM 686 CB ALA A 49 6.592 -2.699 -3.044 1.00 0.00 C ATOM 0 H ALA A 49 8.162 -0.759 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 49 7.720 -3.495 -4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.789 -3.427 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.296 -3.053 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.173 -1.744 -2.728 1.00 0.00 H new ATOM 692 N LYS A 50 6.065 -2.998 -6.383 1.00 0.00 N ATOM 693 CA LYS A 50 5.182 -2.705 -7.499 1.00 0.00 C ATOM 694 C LYS A 50 3.772 -3.201 -7.171 1.00 0.00 C ATOM 695 O LYS A 50 3.596 -4.333 -6.724 1.00 0.00 O ATOM 696 CB LYS A 50 5.750 -3.282 -8.797 1.00 0.00 C ATOM 697 CG LYS A 50 6.596 -2.242 -9.535 1.00 0.00 C ATOM 698 CD LYS A 50 7.070 -2.779 -10.887 1.00 0.00 C ATOM 699 CE LYS A 50 7.453 -1.636 -11.828 1.00 0.00 C ATOM 700 NZ LYS A 50 8.687 -0.967 -11.356 1.00 0.00 N ATOM 0 H LYS A 50 6.407 -3.958 -6.351 1.00 0.00 H new ATOM 0 HA LYS A 50 5.113 -1.629 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.358 -4.159 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.934 -3.615 -9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.012 -1.334 -9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.458 -1.970 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.927 -3.437 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.281 -3.379 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.604 -2.022 -12.836 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.639 -0.914 -11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.933 -0.193 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.530 -0.581 -10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.466 -1.656 -11.327 1.00 0.00 H new ATOM 714 N VAL A 51 2.803 -2.328 -7.406 1.00 0.00 N ATOM 715 CA VAL A 51 1.414 -2.662 -7.141 1.00 0.00 C ATOM 716 C VAL A 51 0.626 -2.624 -8.452 1.00 0.00 C ATOM 717 O VAL A 51 0.288 -1.549 -8.946 1.00 0.00 O ATOM 718 CB VAL A 51 0.845 -1.726 -6.074 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.681 -1.825 -6.015 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.466 -2.013 -4.705 1.00 0.00 C ATOM 0 H VAL A 51 2.953 -1.390 -7.777 1.00 0.00 H new ATOM 0 HA VAL A 51 1.334 -3.673 -6.743 1.00 0.00 H new ATOM 0 HB VAL A 51 1.104 -0.704 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.060 -1.149 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.101 -1.549 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.970 -2.848 -5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.044 -1.334 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.252 -3.042 -4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.545 -1.868 -4.757 1.00 0.00 H new ATOM 730 N ASN A 52 0.356 -3.809 -8.979 1.00 0.00 N ATOM 731 CA ASN A 52 -0.386 -3.925 -10.222 1.00 0.00 C ATOM 732 C ASN A 52 0.546 -3.621 -11.397 1.00 0.00 C ATOM 733 O ASN A 52 0.099 -3.157 -12.445 1.00 0.00 O ATOM 734 CB ASN A 52 -1.544 -2.926 -10.267 1.00 0.00 C ATOM 735 CG ASN A 52 -2.811 -3.581 -10.821 1.00 0.00 C ATOM 736 OD1 ASN A 52 -3.237 -4.622 -10.111 1.00 0.00 O flip ATOM 737 ND2 ASN A 52 -3.365 -3.168 -11.827 1.00 0.00 N flip ATOM 0 H ASN A 52 0.638 -4.698 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.781 -4.939 -10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.737 -2.542 -9.265 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.270 -2.073 -10.888 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.985 -2.363 -12.325 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.208 -3.628 -12.170 1.00 0.00 H new ATOM 744 N ASN A 53 1.825 -3.894 -11.183 1.00 0.00 N ATOM 745 CA ASN A 53 2.824 -3.656 -12.211 1.00 0.00 C ATOM 746 C ASN A 53 3.149 -2.162 -12.263 1.00 0.00 C ATOM 747 O ASN A 53 3.638 -1.664 -13.276 1.00 0.00 O ATOM 748 CB ASN A 53 2.307 -4.075 -13.589 1.00 0.00 C ATOM 749 CG ASN A 53 3.329 -4.954 -14.313 1.00 0.00 C ATOM 750 OD1 ASN A 53 3.636 -6.061 -13.902 1.00 0.00 O ATOM 751 ND2 ASN A 53 3.836 -4.402 -15.411 1.00 0.00 N ATOM 0 H ASN A 53 2.192 -4.278 -10.312 1.00 0.00 H new ATOM 0 HA ASN A 53 3.709 -4.243 -11.964 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.368 -4.617 -13.480 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.095 -3.189 -14.187 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.526 -4.910 -15.965 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.535 -3.471 -15.699 1.00 0.00 H new ATOM 758 N VAL A 54 2.864 -1.488 -11.158 1.00 0.00 N ATOM 759 CA VAL A 54 3.120 -0.060 -11.065 1.00 0.00 C ATOM 760 C VAL A 54 3.868 0.235 -9.764 1.00 0.00 C ATOM 761 O VAL A 54 3.504 -0.273 -8.705 1.00 0.00 O ATOM 762 CB VAL A 54 1.808 0.716 -11.190 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.741 -0.122 -11.898 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.317 1.187 -9.820 1.00 0.00 C ATOM 0 H VAL A 54 2.458 -1.904 -10.320 1.00 0.00 H new ATOM 0 HA VAL A 54 3.755 0.269 -11.887 1.00 0.00 H new ATOM 0 HB VAL A 54 1.998 1.600 -11.799 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.182 0.453 -11.974 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.088 -0.384 -12.897 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.556 -1.032 -11.328 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.383 1.736 -9.937 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.152 0.323 -9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.066 1.838 -9.369 1.00 0.00 H new ATOM 774 N VAL A 55 4.901 1.057 -9.886 1.00 0.00 N ATOM 775 CA VAL A 55 5.703 1.426 -8.732 1.00 0.00 C ATOM 776 C VAL A 55 4.779 1.830 -7.582 1.00 0.00 C ATOM 777 O VAL A 55 3.827 2.582 -7.780 1.00 0.00 O ATOM 778 CB VAL A 55 6.696 2.526 -9.116 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.257 3.216 -7.871 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.822 1.968 -9.988 1.00 0.00 C ATOM 0 H VAL A 55 5.200 1.477 -10.766 1.00 0.00 H new ATOM 0 HA VAL A 55 6.294 0.577 -8.390 1.00 0.00 H new ATOM 0 HB VAL A 55 6.159 3.273 -9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.960 3.993 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.441 3.664 -7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.771 2.483 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.513 2.770 -10.247 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.356 1.191 -9.440 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.400 1.544 -10.900 1.00 0.00 H new ATOM 790 N TRP A 56 5.093 1.311 -6.403 1.00 0.00 N ATOM 791 CA TRP A 56 4.302 1.608 -5.221 1.00 0.00 C ATOM 792 C TRP A 56 5.263 1.798 -4.045 1.00 0.00 C ATOM 793 O TRP A 56 6.301 1.143 -3.975 1.00 0.00 O ATOM 794 CB TRP A 56 3.259 0.517 -4.970 1.00 0.00 C ATOM 795 CG TRP A 56 1.965 1.027 -4.335 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.671 1.135 -3.032 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.792 1.499 -5.033 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.401 1.639 -2.839 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.150 1.867 -4.095 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.537 1.611 -6.411 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.412 2.372 -4.433 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.728 2.116 -6.733 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.688 2.492 -5.800 1.00 0.00 C ATOM 0 H TRP A 56 5.884 0.687 -6.242 1.00 0.00 H new ATOM 0 HA TRP A 56 3.733 2.528 -5.359 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.020 0.032 -5.917 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.694 -0.245 -4.323 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.344 0.862 -2.233 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.050 1.812 -1.941 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.260 1.330 -7.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.133 2.654 -3.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.976 2.221 -7.779 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.643 2.875 -6.129 1.00 0.00 H new ATOM 814 N ASP A 57 4.882 2.699 -3.151 1.00 0.00 N ATOM 815 CA ASP A 57 5.697 2.984 -1.982 1.00 0.00 C ATOM 816 C ASP A 57 5.459 1.904 -0.925 1.00 0.00 C ATOM 817 O ASP A 57 4.380 1.317 -0.864 1.00 0.00 O ATOM 818 CB ASP A 57 5.327 4.336 -1.369 1.00 0.00 C ATOM 819 CG ASP A 57 5.353 5.516 -2.342 1.00 0.00 C ATOM 820 OD1 ASP A 57 4.352 5.672 -3.073 1.00 0.00 O ATOM 821 OD2 ASP A 57 6.375 6.236 -2.332 1.00 0.00 O ATOM 0 H ASP A 57 4.020 3.241 -3.213 1.00 0.00 H new ATOM 0 HA ASP A 57 6.741 3.004 -2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.328 4.262 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.013 4.546 -0.549 1.00 0.00 H new ATOM 826 N LEU A 58 6.485 1.675 -0.118 1.00 0.00 N ATOM 827 CA LEU A 58 6.401 0.675 0.933 1.00 0.00 C ATOM 828 C LEU A 58 5.567 1.228 2.091 1.00 0.00 C ATOM 829 O LEU A 58 4.924 0.470 2.815 1.00 0.00 O ATOM 830 CB LEU A 58 7.801 0.216 1.348 1.00 0.00 C ATOM 831 CG LEU A 58 8.797 -0.013 0.210 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.196 0.467 0.600 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.796 -1.478 -0.233 1.00 0.00 C ATOM 0 H LEU A 58 7.378 2.165 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 58 5.892 -0.218 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.219 0.960 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.705 -0.712 1.912 1.00 0.00 H new ATOM 0 HG LEU A 58 8.480 0.583 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.884 0.292 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.165 1.533 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.537 -0.081 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.513 -1.614 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.075 -2.113 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.800 -1.752 -0.580 1.00 0.00 H new ATOM 845 N ASP A 59 5.605 2.545 2.229 1.00 0.00 N ATOM 846 CA ASP A 59 4.860 3.209 3.286 1.00 0.00 C ATOM 847 C ASP A 59 3.407 3.390 2.843 1.00 0.00 C ATOM 848 O ASP A 59 2.496 3.374 3.669 1.00 0.00 O ATOM 849 CB ASP A 59 5.440 4.593 3.583 1.00 0.00 C ATOM 850 CG ASP A 59 5.788 5.427 2.349 1.00 0.00 C ATOM 851 OD1 ASP A 59 6.711 5.005 1.620 1.00 0.00 O ATOM 852 OD2 ASP A 59 5.123 6.469 2.163 1.00 0.00 O ATOM 0 H ASP A 59 6.140 3.171 1.627 1.00 0.00 H new ATOM 0 HA ASP A 59 4.923 2.592 4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.723 5.148 4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.340 4.471 4.186 1.00 0.00 H new ATOM 857 N ARG A 60 3.235 3.559 1.540 1.00 0.00 N ATOM 858 CA ARG A 60 1.908 3.744 0.978 1.00 0.00 C ATOM 859 C ARG A 60 1.169 2.407 0.912 1.00 0.00 C ATOM 860 O ARG A 60 1.653 1.454 0.303 1.00 0.00 O ATOM 861 CB ARG A 60 1.984 4.346 -0.427 1.00 0.00 C ATOM 862 CG ARG A 60 0.594 4.734 -0.933 1.00 0.00 C ATOM 863 CD ARG A 60 0.690 5.623 -2.174 1.00 0.00 C ATOM 864 NE ARG A 60 -0.441 6.577 -2.203 1.00 0.00 N ATOM 865 CZ ARG A 60 -0.540 7.649 -1.405 1.00 0.00 C ATOM 866 NH1 ARG A 60 0.424 7.911 -0.511 1.00 0.00 N ATOM 867 NH2 ARG A 60 -1.602 8.460 -1.501 1.00 0.00 N ATOM 0 H ARG A 60 3.993 3.572 0.857 1.00 0.00 H new ATOM 0 HA ARG A 60 1.366 4.432 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.629 5.225 -0.416 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.436 3.627 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.025 3.835 -1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.050 5.258 -0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.635 6.167 -2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.680 5.008 -3.074 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.192 6.408 -2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.233 7.294 -0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.348 8.727 0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.335 8.262 -2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.677 9.276 -0.894 1.00 0.00 H new ATOM 881 N PRO A 61 -0.024 2.377 1.565 1.00 0.00 N ATOM 882 CA PRO A 61 -0.836 1.172 1.587 1.00 0.00 C ATOM 883 C PRO A 61 -1.528 0.952 0.240 1.00 0.00 C ATOM 884 O PRO A 61 -1.879 1.912 -0.445 1.00 0.00 O ATOM 885 CB PRO A 61 -1.815 1.377 2.731 1.00 0.00 C ATOM 886 CG PRO A 61 -1.825 2.872 3.007 1.00 0.00 C ATOM 887 CD PRO A 61 -0.630 3.486 2.297 1.00 0.00 C ATOM 0 HA PRO A 61 -0.245 0.270 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.810 1.023 2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.506 0.819 3.615 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.752 3.320 2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.771 3.062 4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.938 4.285 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.072 3.922 3.008 1.00 0.00 H new ATOM 895 N LEU A 62 -1.703 -0.316 -0.099 1.00 0.00 N ATOM 896 CA LEU A 62 -2.347 -0.674 -1.352 1.00 0.00 C ATOM 897 C LEU A 62 -3.664 0.094 -1.481 1.00 0.00 C ATOM 898 O LEU A 62 -4.066 0.804 -0.560 1.00 0.00 O ATOM 899 CB LEU A 62 -2.507 -2.192 -1.458 1.00 0.00 C ATOM 900 CG LEU A 62 -1.247 -3.019 -1.196 1.00 0.00 C ATOM 901 CD1 LEU A 62 0.005 -2.273 -1.661 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.156 -3.428 0.276 1.00 0.00 C ATOM 0 H LEU A 62 -1.410 -1.109 0.472 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.724 -0.383 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.277 -2.506 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.873 -2.430 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.312 -3.936 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.886 -2.883 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.066 -2.074 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.088 -1.330 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.251 -4.015 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.124 -2.535 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.028 -4.026 0.542 1.00 0.00 H new ATOM 914 N GLU A 63 -4.301 -0.075 -2.631 1.00 0.00 N ATOM 915 CA GLU A 63 -5.564 0.593 -2.892 1.00 0.00 C ATOM 916 C GLU A 63 -6.687 -0.435 -3.044 1.00 0.00 C ATOM 917 O GLU A 63 -7.803 -0.215 -2.576 1.00 0.00 O ATOM 918 CB GLU A 63 -5.467 1.486 -4.130 1.00 0.00 C ATOM 919 CG GLU A 63 -5.154 2.932 -3.741 1.00 0.00 C ATOM 920 CD GLU A 63 -5.892 3.917 -4.649 1.00 0.00 C ATOM 921 OE1 GLU A 63 -7.104 3.695 -4.859 1.00 0.00 O ATOM 922 OE2 GLU A 63 -5.228 4.869 -5.113 1.00 0.00 O ATOM 0 H GLU A 63 -3.965 -0.665 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.796 1.233 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.690 1.108 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.405 1.450 -4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.441 3.103 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.080 3.106 -3.807 1.00 0.00 H new ATOM 929 N GLU A 64 -6.352 -1.537 -3.699 1.00 0.00 N ATOM 930 CA GLU A 64 -7.318 -2.600 -3.919 1.00 0.00 C ATOM 931 C GLU A 64 -6.618 -3.851 -4.454 1.00 0.00 C ATOM 932 O GLU A 64 -5.396 -3.870 -4.595 1.00 0.00 O ATOM 933 CB GLU A 64 -8.428 -2.144 -4.868 1.00 0.00 C ATOM 934 CG GLU A 64 -7.876 -1.876 -6.269 1.00 0.00 C ATOM 935 CD GLU A 64 -8.951 -1.275 -7.176 1.00 0.00 C ATOM 936 OE1 GLU A 64 -9.577 -0.286 -6.737 1.00 0.00 O ATOM 937 OE2 GLU A 64 -9.123 -1.818 -8.289 1.00 0.00 O ATOM 0 H GLU A 64 -5.425 -1.717 -4.085 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.781 -2.847 -2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.204 -2.908 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.896 -1.240 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.027 -1.195 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.507 -2.806 -6.703 1.00 0.00 H new ATOM 944 N ASP A 65 -7.423 -4.865 -4.737 1.00 0.00 N ATOM 945 CA ASP A 65 -6.896 -6.116 -5.253 1.00 0.00 C ATOM 946 C ASP A 65 -5.846 -5.819 -6.325 1.00 0.00 C ATOM 947 O ASP A 65 -6.178 -5.341 -7.409 1.00 0.00 O ATOM 948 CB ASP A 65 -8.002 -6.957 -5.895 1.00 0.00 C ATOM 949 CG ASP A 65 -8.798 -6.248 -6.992 1.00 0.00 C ATOM 950 OD1 ASP A 65 -8.666 -5.008 -7.078 1.00 0.00 O ATOM 951 OD2 ASP A 65 -9.521 -6.962 -7.721 1.00 0.00 O ATOM 0 H ASP A 65 -8.436 -4.845 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.461 -6.668 -4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.555 -7.858 -6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.693 -7.278 -5.115 1.00 0.00 H new ATOM 956 N CYS A 66 -4.600 -6.115 -5.986 1.00 0.00 N ATOM 957 CA CYS A 66 -3.499 -5.885 -6.906 1.00 0.00 C ATOM 958 C CYS A 66 -2.390 -6.891 -6.589 1.00 0.00 C ATOM 959 O CYS A 66 -2.478 -7.628 -5.608 1.00 0.00 O ATOM 960 CB CYS A 66 -2.996 -4.442 -6.837 1.00 0.00 C ATOM 961 SG CYS A 66 -2.646 -3.983 -5.101 1.00 0.00 S ATOM 0 H CYS A 66 -4.328 -6.512 -5.087 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.841 -6.033 -7.930 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.094 -4.334 -7.439 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.742 -3.768 -7.257 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.765 -3.863 -4.450 1.00 0.00 H new ATOM 967 N THR A 67 -1.373 -6.890 -7.438 1.00 0.00 N ATOM 968 CA THR A 67 -0.249 -7.793 -7.262 1.00 0.00 C ATOM 969 C THR A 67 0.929 -7.059 -6.619 1.00 0.00 C ATOM 970 O THR A 67 1.151 -5.879 -6.888 1.00 0.00 O ATOM 971 CB THR A 67 0.085 -8.404 -8.624 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.024 -7.311 -9.531 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.982 -9.391 -9.101 1.00 0.00 C ATOM 0 H THR A 67 -1.304 -6.277 -8.251 1.00 0.00 H new ATOM 0 HA THR A 67 -0.497 -8.605 -6.578 1.00 0.00 H new ATOM 0 HB THR A 67 1.049 -8.910 -8.568 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.933 -7.278 -9.895 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.696 -9.795 -10.072 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.072 -10.205 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.939 -8.877 -9.190 1.00 0.00 H new ATOM 981 N LEU A 68 1.655 -7.787 -5.783 1.00 0.00 N ATOM 982 CA LEU A 68 2.805 -7.220 -5.101 1.00 0.00 C ATOM 983 C LEU A 68 4.086 -7.808 -5.695 1.00 0.00 C ATOM 984 O LEU A 68 4.196 -9.022 -5.863 1.00 0.00 O ATOM 985 CB LEU A 68 2.681 -7.416 -3.589 1.00 0.00 C ATOM 986 CG LEU A 68 3.905 -7.024 -2.759 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.342 -5.592 -3.069 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.646 -7.234 -1.266 1.00 0.00 C ATOM 0 H LEU A 68 1.468 -8.765 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 68 2.847 -6.142 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.827 -6.837 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.457 -8.465 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 68 4.730 -7.680 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.214 -5.339 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.596 -5.510 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.528 -4.905 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.532 -6.948 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.801 -6.620 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.420 -8.284 -1.080 1.00 0.00 H new ATOM 1000 N GLU A 69 5.023 -6.921 -5.996 1.00 0.00 N ATOM 1001 CA GLU A 69 6.292 -7.337 -6.567 1.00 0.00 C ATOM 1002 C GLU A 69 7.436 -6.510 -5.978 1.00 0.00 C ATOM 1003 O GLU A 69 7.455 -5.287 -6.109 1.00 0.00 O ATOM 1004 CB GLU A 69 6.268 -7.230 -8.093 1.00 0.00 C ATOM 1005 CG GLU A 69 7.594 -7.696 -8.697 1.00 0.00 C ATOM 1006 CD GLU A 69 7.502 -7.783 -10.222 1.00 0.00 C ATOM 1007 OE1 GLU A 69 6.620 -8.532 -10.695 1.00 0.00 O ATOM 1008 OE2 GLU A 69 8.316 -7.100 -10.879 1.00 0.00 O ATOM 0 H GLU A 69 4.928 -5.915 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 69 6.457 -8.384 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.452 -7.833 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.074 -6.198 -8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.388 -7.005 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.861 -8.671 -8.289 1.00 0.00 H new ATOM 1015 N LEU A 70 8.363 -7.210 -5.341 1.00 0.00 N ATOM 1016 CA LEU A 70 9.508 -6.556 -4.730 1.00 0.00 C ATOM 1017 C LEU A 70 10.650 -6.483 -5.746 1.00 0.00 C ATOM 1018 O LEU A 70 11.110 -7.510 -6.243 1.00 0.00 O ATOM 1019 CB LEU A 70 9.891 -7.255 -3.424 1.00 0.00 C ATOM 1020 CG LEU A 70 8.774 -7.401 -2.389 1.00 0.00 C ATOM 1021 CD1 LEU A 70 8.171 -6.040 -2.036 1.00 0.00 C ATOM 1022 CD2 LEU A 70 7.710 -8.392 -2.867 1.00 0.00 C ATOM 0 H LEU A 70 8.345 -8.224 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 70 9.259 -5.531 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.269 -8.249 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.713 -6.703 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 70 9.207 -7.808 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.380 -6.173 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.946 -5.394 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.757 -5.582 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.927 -8.477 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.276 -8.037 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.168 -9.368 -3.027 1.00 0.00 H new ATOM 1034 N LEU A 71 11.074 -5.260 -6.025 1.00 0.00 N ATOM 1035 CA LEU A 71 12.154 -5.039 -6.973 1.00 0.00 C ATOM 1036 C LEU A 71 13.496 -5.163 -6.248 1.00 0.00 C ATOM 1037 O LEU A 71 13.576 -4.944 -5.041 1.00 0.00 O ATOM 1038 CB LEU A 71 11.966 -3.705 -7.697 1.00 0.00 C ATOM 1039 CG LEU A 71 10.597 -3.477 -8.341 1.00 0.00 C ATOM 1040 CD1 LEU A 71 10.441 -2.026 -8.800 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.356 -4.468 -9.481 1.00 0.00 C ATOM 0 H LEU A 71 10.689 -4.411 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 71 12.141 -5.802 -7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.149 -2.900 -6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.728 -3.625 -8.472 1.00 0.00 H new ATOM 0 HG LEU A 71 9.831 -3.660 -7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.459 -1.892 -9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.538 -1.361 -7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.214 -1.791 -9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.376 -4.284 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.126 -4.341 -10.242 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.394 -5.486 -9.093 1.00 0.00 H new