USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=12 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 13 LYS NZ :NH3+ -117:sc= -1.38! (180deg=-3.8!) USER MOD Set 1.2: A 15 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 9 SER OG : rot -20:sc= 0.28 USER MOD Single : A 10 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 21 GLN :FLIP amide:sc= -1.32 F(o=-2.1!,f=-1.3) USER MOD Single : A 26 SER OG : rot 138:sc= -2.04 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 30 THR OG1 : rot 140:sc= 0.186 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0689 X(o=-0.069,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= 0.269 (180deg=0.0851) USER MOD Single : A 52 ASN :FLIP amide:sc= 0.403 F(o=-0.1,f=0.4) USER MOD Single : A 53 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.14) USER MOD Single : A 66 CYS SG : rot -78:sc= -5.92! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0464 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.257 1.183 4.339 1.00 0.00 N ATOM 79 CA SER A 9 -11.328 0.148 3.917 1.00 0.00 C ATOM 80 C SER A 9 -12.100 -1.092 3.461 1.00 0.00 C ATOM 81 O SER A 9 -13.325 -1.136 3.557 1.00 0.00 O ATOM 82 CB SER A 9 -10.358 -0.215 5.042 1.00 0.00 C ATOM 83 OG SER A 9 -11.008 -0.278 6.309 1.00 0.00 O ATOM 0 HA SER A 9 -10.743 0.533 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.894 -1.177 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.557 0.523 5.082 1.00 0.00 H new ATOM 0 HG SER A 9 -11.849 0.224 6.271 1.00 0.00 H new ATOM 89 N LYS A 10 -11.350 -2.070 2.973 1.00 0.00 N ATOM 90 CA LYS A 10 -11.948 -3.308 2.502 1.00 0.00 C ATOM 91 C LYS A 10 -10.860 -4.373 2.360 1.00 0.00 C ATOM 92 O LYS A 10 -9.679 -4.048 2.245 1.00 0.00 O ATOM 93 CB LYS A 10 -12.742 -3.064 1.217 1.00 0.00 C ATOM 94 CG LYS A 10 -11.827 -2.576 0.092 1.00 0.00 C ATOM 95 CD LYS A 10 -12.457 -2.834 -1.278 1.00 0.00 C ATOM 96 CE LYS A 10 -12.054 -1.751 -2.280 1.00 0.00 C ATOM 97 NZ LYS A 10 -13.066 -0.672 -2.312 1.00 0.00 N ATOM 0 H LYS A 10 -10.334 -2.030 2.894 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.669 -3.684 3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.240 -3.985 0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.522 -2.326 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.634 -1.510 0.212 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.865 -3.084 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.145 -3.811 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.543 -2.861 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.083 -1.339 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.948 -2.188 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.777 0.055 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.986 -1.067 -2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.148 -0.244 -1.367 1.00 0.00 H new ATOM 111 N PRO A 11 -11.307 -5.657 2.373 1.00 0.00 N ATOM 112 CA PRO A 11 -10.385 -6.773 2.247 1.00 0.00 C ATOM 113 C PRO A 11 -9.897 -6.921 0.804 1.00 0.00 C ATOM 114 O PRO A 11 -10.660 -7.317 -0.075 1.00 0.00 O ATOM 115 CB PRO A 11 -11.162 -7.983 2.738 1.00 0.00 C ATOM 116 CG PRO A 11 -12.628 -7.588 2.682 1.00 0.00 C ATOM 117 CD PRO A 11 -12.698 -6.080 2.507 1.00 0.00 C ATOM 0 HA PRO A 11 -9.476 -6.636 2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.968 -8.853 2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.868 -8.250 3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.128 -8.092 1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.140 -7.890 3.595 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.280 -5.810 1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.176 -5.604 3.363 1.00 0.00 H new ATOM 125 N ILE A 12 -8.629 -6.594 0.605 1.00 0.00 N ATOM 126 CA ILE A 12 -8.030 -6.685 -0.715 1.00 0.00 C ATOM 127 C ILE A 12 -7.105 -7.903 -0.768 1.00 0.00 C ATOM 128 O ILE A 12 -6.628 -8.369 0.265 1.00 0.00 O ATOM 129 CB ILE A 12 -7.338 -5.371 -1.082 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.178 -5.077 -0.129 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.343 -4.218 -1.134 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.230 -4.034 -0.724 1.00 0.00 C ATOM 0 H ILE A 12 -7.999 -6.265 1.337 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.799 -6.835 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.915 -5.475 -2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.567 -4.718 0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.630 -5.996 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.825 -3.296 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.105 -4.433 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.816 -4.103 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.415 -3.843 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.824 -4.406 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.776 -3.108 -0.906 1.00 0.00 H new ATOM 144 N LYS A 13 -6.880 -8.382 -1.983 1.00 0.00 N ATOM 145 CA LYS A 13 -6.021 -9.537 -2.184 1.00 0.00 C ATOM 146 C LYS A 13 -4.729 -9.092 -2.872 1.00 0.00 C ATOM 147 O LYS A 13 -4.763 -8.302 -3.814 1.00 0.00 O ATOM 148 CB LYS A 13 -6.771 -10.638 -2.937 1.00 0.00 C ATOM 149 CG LYS A 13 -6.745 -11.952 -2.154 1.00 0.00 C ATOM 150 CD LYS A 13 -5.442 -12.713 -2.401 1.00 0.00 C ATOM 151 CE LYS A 13 -5.459 -13.400 -3.768 1.00 0.00 C ATOM 152 NZ LYS A 13 -5.032 -12.459 -4.827 1.00 0.00 N ATOM 0 H LYS A 13 -7.277 -7.992 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.739 -9.974 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.803 -10.331 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.319 -10.786 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.854 -11.747 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.593 -12.571 -2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.599 -12.025 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.297 -13.457 -1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.797 -14.266 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.462 -13.769 -3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.815 -12.310 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.766 -11.550 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.215 -12.855 -5.334 1.00 0.00 H new ATOM 166 N VAL A 14 -3.620 -9.618 -2.374 1.00 0.00 N ATOM 167 CA VAL A 14 -2.319 -9.284 -2.929 1.00 0.00 C ATOM 168 C VAL A 14 -1.531 -10.572 -3.180 1.00 0.00 C ATOM 169 O VAL A 14 -1.216 -11.304 -2.243 1.00 0.00 O ATOM 170 CB VAL A 14 -1.589 -8.309 -2.003 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.123 -8.156 -2.413 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.294 -6.951 -1.972 1.00 0.00 C ATOM 0 H VAL A 14 -3.595 -10.273 -1.592 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.432 -8.778 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.613 -8.723 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.372 -7.458 -1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.373 -9.125 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.068 -7.776 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.755 -6.276 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.315 -6.529 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.314 -7.079 -1.610 1.00 0.00 H new ATOM 182 N THR A 15 -1.237 -10.809 -4.450 1.00 0.00 N ATOM 183 CA THR A 15 -0.492 -11.995 -4.836 1.00 0.00 C ATOM 184 C THR A 15 1.010 -11.702 -4.849 1.00 0.00 C ATOM 185 O THR A 15 1.459 -10.771 -5.516 1.00 0.00 O ATOM 186 CB THR A 15 -1.029 -12.471 -6.188 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.236 -13.155 -5.860 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.149 -13.551 -6.820 1.00 0.00 C ATOM 0 H THR A 15 -1.501 -10.200 -5.224 1.00 0.00 H new ATOM 0 HA THR A 15 -0.628 -12.799 -4.113 1.00 0.00 H new ATOM 0 HB THR A 15 -1.106 -11.622 -6.867 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.652 -13.496 -6.679 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.575 -13.853 -7.777 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.855 -13.156 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.099 -14.414 -6.156 1.00 0.00 H new ATOM 196 N LEU A 16 1.745 -12.514 -4.103 1.00 0.00 N ATOM 197 CA LEU A 16 3.186 -12.354 -4.019 1.00 0.00 C ATOM 198 C LEU A 16 3.794 -12.505 -5.415 1.00 0.00 C ATOM 199 O LEU A 16 3.169 -13.073 -6.310 1.00 0.00 O ATOM 200 CB LEU A 16 3.774 -13.316 -2.985 1.00 0.00 C ATOM 201 CG LEU A 16 3.231 -13.183 -1.561 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.605 -14.402 -0.715 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.694 -11.875 -0.917 1.00 0.00 C ATOM 0 H LEU A 16 1.369 -13.285 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 16 3.437 -11.353 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.598 -14.336 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.854 -13.171 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 16 2.143 -13.149 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.207 -14.282 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.185 -15.301 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.690 -14.493 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.294 -11.806 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.783 -11.854 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.335 -11.032 -1.507 1.00 0.00 H new ATOM 215 N PRO A 17 5.037 -11.974 -5.562 1.00 0.00 N ATOM 216 CA PRO A 17 5.736 -12.044 -6.834 1.00 0.00 C ATOM 217 C PRO A 17 6.271 -13.455 -7.088 1.00 0.00 C ATOM 218 O PRO A 17 6.915 -13.705 -8.105 1.00 0.00 O ATOM 219 CB PRO A 17 6.836 -11.000 -6.737 1.00 0.00 C ATOM 220 CG PRO A 17 7.007 -10.711 -5.254 1.00 0.00 C ATOM 221 CD PRO A 17 5.807 -11.294 -4.525 1.00 0.00 C ATOM 0 HA PRO A 17 5.085 -11.839 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.764 -11.369 -7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.566 -10.096 -7.282 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.931 -11.154 -4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.075 -9.637 -5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.117 -11.988 -3.743 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.219 -10.513 -4.043 1.00 0.00 H new ATOM 229 N ASP A 18 5.985 -14.341 -6.145 1.00 0.00 N ATOM 230 CA ASP A 18 6.429 -15.720 -6.253 1.00 0.00 C ATOM 231 C ASP A 18 5.250 -16.600 -6.673 1.00 0.00 C ATOM 232 O ASP A 18 5.435 -17.762 -7.031 1.00 0.00 O ATOM 233 CB ASP A 18 6.951 -16.238 -4.911 1.00 0.00 C ATOM 234 CG ASP A 18 8.010 -17.338 -5.011 1.00 0.00 C ATOM 235 OD1 ASP A 18 8.498 -17.556 -6.141 1.00 0.00 O ATOM 236 OD2 ASP A 18 8.308 -17.935 -3.954 1.00 0.00 O ATOM 0 H ASP A 18 5.451 -14.130 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 18 7.230 -15.759 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.370 -15.400 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.109 -16.617 -4.332 1.00 0.00 H new ATOM 241 N GLY A 19 4.064 -16.012 -6.615 1.00 0.00 N ATOM 242 CA GLY A 19 2.855 -16.728 -6.985 1.00 0.00 C ATOM 243 C GLY A 19 1.914 -16.869 -5.787 1.00 0.00 C ATOM 244 O GLY A 19 0.694 -16.880 -5.950 1.00 0.00 O ATOM 0 H GLY A 19 3.915 -15.048 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.347 -16.199 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.115 -17.716 -7.366 1.00 0.00 H new ATOM 248 N LYS A 20 2.515 -16.974 -4.612 1.00 0.00 N ATOM 249 CA LYS A 20 1.746 -17.115 -3.387 1.00 0.00 C ATOM 250 C LYS A 20 0.745 -15.962 -3.284 1.00 0.00 C ATOM 251 O LYS A 20 0.866 -14.965 -3.993 1.00 0.00 O ATOM 252 CB LYS A 20 2.678 -17.230 -2.179 1.00 0.00 C ATOM 253 CG LYS A 20 2.725 -18.669 -1.659 1.00 0.00 C ATOM 254 CD LYS A 20 3.420 -18.737 -0.298 1.00 0.00 C ATOM 255 CE LYS A 20 4.933 -18.891 -0.462 1.00 0.00 C ATOM 256 NZ LYS A 20 5.282 -20.298 -0.758 1.00 0.00 N ATOM 0 H LYS A 20 3.527 -16.964 -4.482 1.00 0.00 H new ATOM 0 HA LYS A 20 1.169 -18.039 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.681 -16.907 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.336 -16.564 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.712 -19.062 -1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.253 -19.301 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.202 -17.833 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.025 -19.577 0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.285 -18.246 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.438 -18.569 0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.313 -20.385 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.964 -20.906 0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.815 -20.593 -1.639 1.00 0.00 H new ATOM 270 N GLN A 21 -0.221 -16.137 -2.394 1.00 0.00 N ATOM 271 CA GLN A 21 -1.242 -15.124 -2.189 1.00 0.00 C ATOM 272 C GLN A 21 -1.239 -14.655 -0.733 1.00 0.00 C ATOM 273 O GLN A 21 -0.820 -15.391 0.160 1.00 0.00 O ATOM 274 CB GLN A 21 -2.622 -15.647 -2.593 1.00 0.00 C ATOM 275 CG GLN A 21 -2.630 -16.101 -4.054 1.00 0.00 C ATOM 276 CD GLN A 21 -4.020 -16.586 -4.471 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.592 -15.843 -5.414 1.00 0.00 O flip ATOM 278 NE2 GLN A 21 -4.538 -17.569 -3.969 1.00 0.00 N flip ATOM 0 H GLN A 21 -0.318 -16.965 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.012 -14.270 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.902 -16.480 -1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.368 -14.866 -2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.321 -15.276 -4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.905 -16.903 -4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.043 -18.095 -3.249 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.467 -17.866 -4.269 1.00 0.00 H new ATOM 287 N VAL A 22 -1.710 -13.432 -0.537 1.00 0.00 N ATOM 288 CA VAL A 22 -1.766 -12.856 0.796 1.00 0.00 C ATOM 289 C VAL A 22 -3.033 -12.007 0.926 1.00 0.00 C ATOM 290 O VAL A 22 -3.625 -11.611 -0.077 1.00 0.00 O ATOM 291 CB VAL A 22 -0.486 -12.068 1.080 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.482 -11.526 2.511 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.754 -12.923 0.814 1.00 0.00 C ATOM 0 H VAL A 22 -2.056 -12.824 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.821 -13.641 1.550 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.458 -11.217 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.439 -10.970 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.337 -10.865 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.545 -12.356 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.650 -12.339 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.735 -13.802 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.762 -13.238 -0.230 1.00 0.00 H new ATOM 303 N ASP A 23 -3.410 -11.752 2.170 1.00 0.00 N ATOM 304 CA ASP A 23 -4.595 -10.957 2.445 1.00 0.00 C ATOM 305 C ASP A 23 -4.172 -9.549 2.868 1.00 0.00 C ATOM 306 O ASP A 23 -3.285 -9.388 3.705 1.00 0.00 O ATOM 307 CB ASP A 23 -5.416 -11.567 3.583 1.00 0.00 C ATOM 308 CG ASP A 23 -4.945 -11.194 4.990 1.00 0.00 C ATOM 309 OD1 ASP A 23 -3.960 -11.816 5.442 1.00 0.00 O ATOM 310 OD2 ASP A 23 -5.582 -10.296 5.583 1.00 0.00 O ATOM 0 H ASP A 23 -2.916 -12.082 2.999 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.200 -10.929 1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.455 -11.256 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.396 -12.652 3.485 1.00 0.00 H new ATOM 315 N ALA A 24 -4.827 -8.564 2.270 1.00 0.00 N ATOM 316 CA ALA A 24 -4.530 -7.175 2.575 1.00 0.00 C ATOM 317 C ALA A 24 -5.839 -6.392 2.694 1.00 0.00 C ATOM 318 O ALA A 24 -6.908 -6.912 2.377 1.00 0.00 O ATOM 319 CB ALA A 24 -3.604 -6.603 1.499 1.00 0.00 C ATOM 0 H ALA A 24 -5.562 -8.701 1.576 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.010 -7.094 3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.381 -5.561 1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.677 -7.176 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.094 -6.665 0.527 1.00 0.00 H new ATOM 325 N GLU A 25 -5.713 -5.155 3.151 1.00 0.00 N ATOM 326 CA GLU A 25 -6.873 -4.296 3.316 1.00 0.00 C ATOM 327 C GLU A 25 -6.588 -2.905 2.746 1.00 0.00 C ATOM 328 O GLU A 25 -5.551 -2.310 3.039 1.00 0.00 O ATOM 329 CB GLU A 25 -7.288 -4.212 4.786 1.00 0.00 C ATOM 330 CG GLU A 25 -8.130 -5.425 5.188 1.00 0.00 C ATOM 331 CD GLU A 25 -8.865 -5.170 6.506 1.00 0.00 C ATOM 332 OE1 GLU A 25 -8.286 -4.450 7.348 1.00 0.00 O ATOM 333 OE2 GLU A 25 -9.989 -5.700 6.640 1.00 0.00 O ATOM 0 H GLU A 25 -4.825 -4.727 3.412 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.705 -4.731 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.400 -4.156 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.857 -3.298 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.852 -5.648 4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.488 -6.300 5.289 1.00 0.00 H new ATOM 340 N SER A 26 -7.526 -2.426 1.942 1.00 0.00 N ATOM 341 CA SER A 26 -7.389 -1.116 1.329 1.00 0.00 C ATOM 342 C SER A 26 -7.211 -0.048 2.410 1.00 0.00 C ATOM 343 O SER A 26 -7.927 -0.047 3.410 1.00 0.00 O ATOM 344 CB SER A 26 -8.599 -0.788 0.453 1.00 0.00 C ATOM 345 OG SER A 26 -9.813 -0.781 1.200 1.00 0.00 O ATOM 0 H SER A 26 -8.384 -2.922 1.701 1.00 0.00 H new ATOM 0 HA SER A 26 -6.506 -1.128 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.455 0.186 -0.014 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.673 -1.519 -0.352 1.00 0.00 H new ATOM 0 HG SER A 26 -10.364 -0.019 0.922 1.00 0.00 H new ATOM 351 N TRP A 27 -6.253 0.836 2.172 1.00 0.00 N ATOM 352 CA TRP A 27 -5.972 1.907 3.113 1.00 0.00 C ATOM 353 C TRP A 27 -5.796 1.284 4.499 1.00 0.00 C ATOM 354 O TRP A 27 -6.265 1.834 5.495 1.00 0.00 O ATOM 355 CB TRP A 27 -7.068 2.974 3.072 1.00 0.00 C ATOM 356 CG TRP A 27 -7.552 3.315 1.661 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.648 2.866 1.034 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.908 4.202 0.723 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.756 3.397 -0.236 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.665 4.235 -0.431 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.725 4.952 0.844 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -7.322 5.002 -1.551 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.397 5.714 -0.284 1.00 0.00 C ATOM 364 CH2 TRP A 27 -6.148 5.757 -1.453 1.00 0.00 C ATOM 0 H TRP A 27 -5.662 0.832 1.341 1.00 0.00 H new ATOM 0 HA TRP A 27 -5.051 2.425 2.845 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.917 2.631 3.663 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.695 3.882 3.546 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.357 2.176 1.467 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.500 3.209 -0.908 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.117 4.941 1.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.931 5.010 -2.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.497 6.310 -0.243 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.827 6.370 -2.282 1.00 0.00 H new ATOM 375 N LYS A 28 -5.118 0.146 4.520 1.00 0.00 N ATOM 376 CA LYS A 28 -4.874 -0.558 5.767 1.00 0.00 C ATOM 377 C LYS A 28 -3.469 -1.162 5.740 1.00 0.00 C ATOM 378 O LYS A 28 -2.560 -0.658 6.398 1.00 0.00 O ATOM 379 CB LYS A 28 -5.979 -1.582 6.030 1.00 0.00 C ATOM 380 CG LYS A 28 -7.189 -0.925 6.699 1.00 0.00 C ATOM 381 CD LYS A 28 -6.941 -0.714 8.194 1.00 0.00 C ATOM 382 CE LYS A 28 -7.586 -1.830 9.019 1.00 0.00 C ATOM 383 NZ LYS A 28 -7.147 -1.750 10.431 1.00 0.00 N ATOM 0 H LYS A 28 -4.730 -0.306 3.692 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.907 0.135 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.284 -2.042 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.596 -2.380 6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.397 0.033 6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.071 -1.550 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.869 -0.686 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.346 0.250 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.672 -1.750 8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.317 -2.801 8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.594 -2.514 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.113 -1.849 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.426 -0.831 10.830 1.00 0.00 H new ATOM 397 N THR A 29 -3.335 -2.234 4.973 1.00 0.00 N ATOM 398 CA THR A 29 -2.056 -2.912 4.851 1.00 0.00 C ATOM 399 C THR A 29 -1.292 -2.397 3.630 1.00 0.00 C ATOM 400 O THR A 29 -1.898 -1.923 2.670 1.00 0.00 O ATOM 401 CB THR A 29 -2.321 -4.418 4.811 1.00 0.00 C ATOM 402 OG1 THR A 29 -2.857 -4.711 6.099 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.031 -5.239 4.750 1.00 0.00 C ATOM 0 H THR A 29 -4.092 -2.650 4.430 1.00 0.00 H new ATOM 0 HA THR A 29 -1.415 -2.702 5.707 1.00 0.00 H new ATOM 0 HB THR A 29 -2.943 -4.653 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.059 -5.668 6.159 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.276 -6.301 4.723 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.473 -4.973 3.853 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.424 -5.029 5.631 1.00 0.00 H new ATOM 411 N THR A 30 0.026 -2.507 3.705 1.00 0.00 N ATOM 412 CA THR A 30 0.878 -2.058 2.618 1.00 0.00 C ATOM 413 C THR A 30 1.749 -3.210 2.112 1.00 0.00 C ATOM 414 O THR A 30 1.669 -4.325 2.626 1.00 0.00 O ATOM 415 CB THR A 30 1.686 -0.858 3.114 1.00 0.00 C ATOM 416 OG1 THR A 30 2.926 -1.423 3.531 1.00 0.00 O ATOM 417 CG2 THR A 30 1.106 -0.250 4.393 1.00 0.00 C ATOM 0 H THR A 30 0.525 -2.901 4.503 1.00 0.00 H new ATOM 0 HA THR A 30 0.287 -1.737 1.760 1.00 0.00 H new ATOM 0 HB THR A 30 1.722 -0.098 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.660 -0.829 3.269 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.717 0.598 4.702 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.086 0.086 4.206 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.101 -1.001 5.183 1.00 0.00 H new ATOM 425 N PRO A 31 2.582 -2.893 1.086 1.00 0.00 N ATOM 426 CA PRO A 31 3.467 -3.889 0.505 1.00 0.00 C ATOM 427 C PRO A 31 4.655 -4.171 1.428 1.00 0.00 C ATOM 428 O PRO A 31 5.184 -5.282 1.442 1.00 0.00 O ATOM 429 CB PRO A 31 3.883 -3.311 -0.838 1.00 0.00 C ATOM 430 CG PRO A 31 3.592 -1.821 -0.758 1.00 0.00 C ATOM 431 CD PRO A 31 2.704 -1.583 0.452 1.00 0.00 C ATOM 0 HA PRO A 31 2.983 -4.857 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.940 -3.493 -1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.326 -3.775 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.519 -1.255 -0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.097 -1.479 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.147 -0.854 1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.730 -1.193 0.158 1.00 0.00 H new ATOM 439 N TYR A 32 5.039 -3.147 2.175 1.00 0.00 N ATOM 440 CA TYR A 32 6.154 -3.271 3.098 1.00 0.00 C ATOM 441 C TYR A 32 5.825 -4.248 4.228 1.00 0.00 C ATOM 442 O TYR A 32 6.626 -5.124 4.551 1.00 0.00 O ATOM 443 CB TYR A 32 6.368 -1.877 3.691 1.00 0.00 C ATOM 444 CG TYR A 32 7.785 -1.634 4.214 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.873 -1.881 3.401 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.976 -1.167 5.499 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.206 -1.652 3.893 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.310 -0.938 5.991 1.00 0.00 C ATOM 449 CZ TYR A 32 10.359 -1.191 5.163 1.00 0.00 C ATOM 450 OH TYR A 32 11.619 -0.975 5.628 1.00 0.00 O ATOM 0 H TYR A 32 4.598 -2.227 2.160 1.00 0.00 H new ATOM 0 HA TYR A 32 7.038 -3.646 2.583 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.140 -1.131 2.930 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.660 -1.728 4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.724 -2.246 2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.125 -0.973 6.135 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.066 -1.842 3.267 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.474 -0.574 6.994 1.00 0.00 H new ATOM 0 HH TYR A 32 11.575 -0.645 6.550 1.00 0.00 H new ATOM 460 N GLN A 33 4.643 -4.065 4.800 1.00 0.00 N ATOM 461 CA GLN A 33 4.197 -4.919 5.887 1.00 0.00 C ATOM 462 C GLN A 33 3.854 -6.314 5.360 1.00 0.00 C ATOM 463 O GLN A 33 3.917 -7.294 6.101 1.00 0.00 O ATOM 464 CB GLN A 33 3.004 -4.300 6.617 1.00 0.00 C ATOM 465 CG GLN A 33 3.469 -3.312 7.689 1.00 0.00 C ATOM 466 CD GLN A 33 2.277 -2.604 8.336 1.00 0.00 C ATOM 467 OE1 GLN A 33 1.754 -3.020 9.357 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.878 -1.514 7.687 1.00 0.00 N ATOM 0 H GLN A 33 3.981 -3.337 4.530 1.00 0.00 H new ATOM 0 HA GLN A 33 5.011 -5.014 6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.360 -3.789 5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.407 -5.087 7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.041 -3.840 8.452 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.137 -2.574 7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.360 -1.221 6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.090 -0.971 8.039 1.00 0.00 H new ATOM 477 N ILE A 34 3.500 -6.359 4.084 1.00 0.00 N ATOM 478 CA ILE A 34 3.147 -7.617 3.449 1.00 0.00 C ATOM 479 C ILE A 34 4.365 -8.542 3.448 1.00 0.00 C ATOM 480 O ILE A 34 4.322 -9.633 4.016 1.00 0.00 O ATOM 481 CB ILE A 34 2.561 -7.370 2.058 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.067 -7.050 2.141 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.843 -8.550 1.126 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.561 -6.449 0.828 1.00 0.00 C ATOM 0 H ILE A 34 3.450 -5.544 3.473 1.00 0.00 H new ATOM 0 HA ILE A 34 2.363 -8.122 4.014 1.00 0.00 H new ATOM 0 HB ILE A 34 3.054 -6.497 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.509 -7.958 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.886 -6.352 2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.415 -8.348 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.920 -8.690 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.395 -9.454 1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.503 -6.231 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.104 -5.528 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.721 -7.159 0.017 1.00 0.00 H new ATOM 663 N ILE A 48 11.750 -1.230 -4.337 1.00 0.00 N ATOM 664 CA ILE A 48 10.445 -0.649 -4.601 1.00 0.00 C ATOM 665 C ILE A 48 9.447 -1.767 -4.911 1.00 0.00 C ATOM 666 O ILE A 48 9.765 -2.701 -5.646 1.00 0.00 O ATOM 667 CB ILE A 48 10.542 0.411 -5.700 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.193 1.691 -5.171 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.171 0.681 -6.324 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.187 2.532 -4.381 1.00 0.00 C ATOM 0 HA ILE A 48 10.075 -0.127 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 48 11.185 0.025 -6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.039 1.436 -4.533 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.586 2.274 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.268 1.438 -7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.782 -0.239 -6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.485 1.037 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.675 3.436 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.354 2.806 -5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.815 1.954 -3.535 1.00 0.00 H new ATOM 682 N ALA A 49 8.261 -1.634 -4.336 1.00 0.00 N ATOM 683 CA ALA A 49 7.215 -2.621 -4.542 1.00 0.00 C ATOM 684 C ALA A 49 6.262 -2.129 -5.634 1.00 0.00 C ATOM 685 O ALA A 49 5.898 -0.954 -5.661 1.00 0.00 O ATOM 686 CB ALA A 49 6.496 -2.888 -3.218 1.00 0.00 C ATOM 0 H ALA A 49 8.001 -0.858 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 49 7.641 -3.566 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.711 -3.629 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.210 -3.264 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.054 -1.962 -2.851 1.00 0.00 H new ATOM 692 N LYS A 50 5.886 -3.052 -6.507 1.00 0.00 N ATOM 693 CA LYS A 50 4.983 -2.726 -7.598 1.00 0.00 C ATOM 694 C LYS A 50 3.562 -3.151 -7.222 1.00 0.00 C ATOM 695 O LYS A 50 3.362 -4.222 -6.652 1.00 0.00 O ATOM 696 CB LYS A 50 5.482 -3.338 -8.908 1.00 0.00 C ATOM 697 CG LYS A 50 6.445 -2.390 -9.625 1.00 0.00 C ATOM 698 CD LYS A 50 6.718 -2.862 -11.054 1.00 0.00 C ATOM 699 CE LYS A 50 6.927 -1.673 -11.994 1.00 0.00 C ATOM 700 NZ LYS A 50 6.531 -2.028 -13.375 1.00 0.00 N ATOM 0 H LYS A 50 6.190 -4.025 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 50 4.960 -1.649 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.983 -4.284 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.634 -3.559 -9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.024 -1.385 -9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.383 -2.332 -9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.601 -3.500 -11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.883 -3.467 -11.407 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.341 -0.822 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.973 -1.368 -11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.043 -1.424 -14.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.764 -3.025 -13.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.507 -1.885 -13.490 1.00 0.00 H new ATOM 714 N VAL A 51 2.613 -2.290 -7.557 1.00 0.00 N ATOM 715 CA VAL A 51 1.217 -2.563 -7.262 1.00 0.00 C ATOM 716 C VAL A 51 0.404 -2.498 -8.557 1.00 0.00 C ATOM 717 O VAL A 51 0.027 -1.416 -9.004 1.00 0.00 O ATOM 718 CB VAL A 51 0.710 -1.598 -6.189 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.815 -1.659 -6.072 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.375 -1.878 -4.841 1.00 0.00 C ATOM 0 H VAL A 51 2.783 -1.403 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 51 1.102 -3.568 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 51 0.982 -0.587 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.149 -0.963 -5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.264 -1.387 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.119 -2.671 -5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.997 -1.178 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.149 -2.897 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.454 -1.759 -4.936 1.00 0.00 H new ATOM 730 N ASN A 52 0.158 -3.671 -9.123 1.00 0.00 N ATOM 731 CA ASN A 52 -0.603 -3.760 -10.358 1.00 0.00 C ATOM 732 C ASN A 52 0.312 -3.435 -11.541 1.00 0.00 C ATOM 733 O ASN A 52 -0.141 -2.902 -12.552 1.00 0.00 O ATOM 734 CB ASN A 52 -1.760 -2.759 -10.366 1.00 0.00 C ATOM 735 CG ASN A 52 -2.951 -3.304 -11.157 1.00 0.00 C ATOM 736 OD1 ASN A 52 -3.949 -3.744 -10.397 1.00 0.00 O flip ATOM 737 ND2 ASN A 52 -2.962 -3.323 -12.377 1.00 0.00 N flip ATOM 0 H ASN A 52 0.472 -4.567 -8.749 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.001 -4.772 -10.436 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.067 -2.544 -9.342 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.428 -1.818 -10.804 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.161 -2.969 -12.900 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.772 -3.693 -12.874 1.00 0.00 H new ATOM 744 N ASN A 53 1.583 -3.770 -11.374 1.00 0.00 N ATOM 745 CA ASN A 53 2.566 -3.521 -12.415 1.00 0.00 C ATOM 746 C ASN A 53 2.924 -2.034 -12.426 1.00 0.00 C ATOM 747 O ASN A 53 3.422 -1.519 -13.426 1.00 0.00 O ATOM 748 CB ASN A 53 2.011 -3.883 -13.794 1.00 0.00 C ATOM 749 CG ASN A 53 2.968 -4.814 -14.543 1.00 0.00 C ATOM 750 OD1 ASN A 53 3.432 -5.816 -14.025 1.00 0.00 O ATOM 751 ND2 ASN A 53 3.235 -4.427 -15.787 1.00 0.00 N ATOM 0 H ASN A 53 1.955 -4.212 -10.533 1.00 0.00 H new ATOM 0 HA ASN A 53 3.442 -4.135 -12.206 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.040 -4.366 -13.684 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.851 -2.975 -14.376 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.863 -4.981 -16.370 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.812 -3.576 -16.158 1.00 0.00 H new ATOM 758 N VAL A 54 2.658 -1.385 -11.301 1.00 0.00 N ATOM 759 CA VAL A 54 2.946 0.033 -11.169 1.00 0.00 C ATOM 760 C VAL A 54 3.693 0.276 -9.856 1.00 0.00 C ATOM 761 O VAL A 54 3.264 -0.183 -8.799 1.00 0.00 O ATOM 762 CB VAL A 54 1.653 0.843 -11.280 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.549 0.023 -11.951 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.204 1.349 -9.908 1.00 0.00 C ATOM 0 H VAL A 54 2.246 -1.815 -10.473 1.00 0.00 H new ATOM 0 HA VAL A 54 3.593 0.368 -11.979 1.00 0.00 H new ATOM 0 HB VAL A 54 1.854 1.711 -11.908 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.359 0.622 -12.018 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.868 -0.266 -12.953 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.351 -0.872 -11.361 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.283 1.922 -10.015 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.029 0.500 -9.247 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.980 1.986 -9.483 1.00 0.00 H new ATOM 774 N VAL A 55 4.798 0.999 -9.966 1.00 0.00 N ATOM 775 CA VAL A 55 5.609 1.309 -8.801 1.00 0.00 C ATOM 776 C VAL A 55 4.697 1.741 -7.651 1.00 0.00 C ATOM 777 O VAL A 55 3.744 2.491 -7.858 1.00 0.00 O ATOM 778 CB VAL A 55 6.659 2.362 -9.159 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.269 2.979 -7.899 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.744 1.770 -10.060 1.00 0.00 C ATOM 0 H VAL A 55 5.151 1.379 -10.844 1.00 0.00 H new ATOM 0 HA VAL A 55 6.155 0.426 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 55 6.160 3.157 -9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.012 3.724 -8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.484 3.454 -7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.745 2.199 -7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.478 2.540 -10.300 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.237 0.947 -9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.291 1.401 -10.980 1.00 0.00 H new ATOM 790 N TRP A 56 5.021 1.250 -6.464 1.00 0.00 N ATOM 791 CA TRP A 56 4.243 1.576 -5.281 1.00 0.00 C ATOM 792 C TRP A 56 5.212 1.746 -4.109 1.00 0.00 C ATOM 793 O TRP A 56 6.097 0.916 -3.906 1.00 0.00 O ATOM 794 CB TRP A 56 3.170 0.517 -5.021 1.00 0.00 C ATOM 795 CG TRP A 56 1.894 1.068 -4.382 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.591 1.149 -3.079 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.752 1.614 -5.076 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.344 1.705 -2.883 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.183 1.997 -4.136 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.517 1.779 -6.452 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.416 2.570 -4.470 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.720 2.352 -6.770 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.672 2.743 -5.835 1.00 0.00 C ATOM 0 H TRP A 56 5.812 0.629 -6.296 1.00 0.00 H new ATOM 0 HA TRP A 56 3.701 2.511 -5.422 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.913 0.036 -5.965 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.585 -0.254 -4.372 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.242 0.820 -2.282 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.108 1.871 -1.984 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.234 1.487 -7.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.131 2.863 -3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.951 2.501 -7.814 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.605 3.178 -6.161 1.00 0.00 H new ATOM 814 N ASP A 57 5.012 2.826 -3.369 1.00 0.00 N ATOM 815 CA ASP A 57 5.858 3.115 -2.223 1.00 0.00 C ATOM 816 C ASP A 57 5.546 2.122 -1.101 1.00 0.00 C ATOM 817 O ASP A 57 4.384 1.795 -0.862 1.00 0.00 O ATOM 818 CB ASP A 57 5.600 4.526 -1.690 1.00 0.00 C ATOM 819 CG ASP A 57 6.224 5.653 -2.516 1.00 0.00 C ATOM 820 OD1 ASP A 57 7.387 5.470 -2.938 1.00 0.00 O ATOM 821 OD2 ASP A 57 5.524 6.670 -2.708 1.00 0.00 O ATOM 0 H ASP A 57 4.277 3.512 -3.540 1.00 0.00 H new ATOM 0 HA ASP A 57 6.897 3.034 -2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.523 4.687 -1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.981 4.589 -0.671 1.00 0.00 H new ATOM 826 N LEU A 58 6.603 1.670 -0.444 1.00 0.00 N ATOM 827 CA LEU A 58 6.456 0.721 0.647 1.00 0.00 C ATOM 828 C LEU A 58 5.706 1.389 1.801 1.00 0.00 C ATOM 829 O LEU A 58 4.973 0.727 2.535 1.00 0.00 O ATOM 830 CB LEU A 58 7.818 0.151 1.048 1.00 0.00 C ATOM 831 CG LEU A 58 8.718 -0.308 -0.102 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.184 0.022 0.184 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.513 -1.795 -0.399 1.00 0.00 C ATOM 0 H LEU A 58 7.565 1.943 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 58 5.859 -0.134 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.352 0.909 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.653 -0.696 1.715 1.00 0.00 H new ATOM 0 HG LEU A 58 8.433 0.242 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.802 -0.315 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.297 1.099 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.499 -0.483 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.164 -2.095 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.755 -2.380 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.474 -1.971 -0.677 1.00 0.00 H new ATOM 845 N ASP A 59 5.914 2.691 1.925 1.00 0.00 N ATOM 846 CA ASP A 59 5.267 3.456 2.978 1.00 0.00 C ATOM 847 C ASP A 59 3.915 3.965 2.474 1.00 0.00 C ATOM 848 O ASP A 59 3.578 5.133 2.661 1.00 0.00 O ATOM 849 CB ASP A 59 6.110 4.668 3.376 1.00 0.00 C ATOM 850 CG ASP A 59 7.315 4.354 4.265 1.00 0.00 C ATOM 851 OD1 ASP A 59 7.172 3.449 5.115 1.00 0.00 O ATOM 852 OD2 ASP A 59 8.351 5.026 4.074 1.00 0.00 O ATOM 0 H ASP A 59 6.522 3.236 1.314 1.00 0.00 H new ATOM 0 HA ASP A 59 5.144 2.804 3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.464 5.159 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.470 5.382 3.895 1.00 0.00 H new ATOM 857 N ARG A 60 3.176 3.063 1.844 1.00 0.00 N ATOM 858 CA ARG A 60 1.868 3.406 1.311 1.00 0.00 C ATOM 859 C ARG A 60 1.012 2.148 1.155 1.00 0.00 C ATOM 860 O ARG A 60 1.455 1.160 0.571 1.00 0.00 O ATOM 861 CB ARG A 60 1.992 4.103 -0.045 1.00 0.00 C ATOM 862 CG ARG A 60 0.615 4.492 -0.589 1.00 0.00 C ATOM 863 CD ARG A 60 0.743 5.267 -1.901 1.00 0.00 C ATOM 864 NE ARG A 60 -0.160 6.439 -1.887 1.00 0.00 N ATOM 865 CZ ARG A 60 0.061 7.550 -1.170 1.00 0.00 C ATOM 866 NH1 ARG A 60 1.156 7.646 -0.405 1.00 0.00 N ATOM 867 NH2 ARG A 60 -0.814 8.564 -1.219 1.00 0.00 N ATOM 0 H ARG A 60 3.458 2.095 1.691 1.00 0.00 H new ATOM 0 HA ARG A 60 1.391 4.088 2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.612 4.994 0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.494 3.443 -0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.017 3.595 -0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.088 5.100 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.774 5.593 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.497 4.618 -2.742 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.004 6.399 -2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.822 6.874 -0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.324 8.491 0.141 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.648 8.490 -1.802 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.646 9.409 -0.674 1.00 0.00 H new ATOM 881 N PRO A 61 -0.231 2.227 1.700 1.00 0.00 N ATOM 882 CA PRO A 61 -1.153 1.107 1.626 1.00 0.00 C ATOM 883 C PRO A 61 -1.741 0.972 0.220 1.00 0.00 C ATOM 884 O PRO A 61 -1.953 1.970 -0.466 1.00 0.00 O ATOM 885 CB PRO A 61 -2.206 1.393 2.685 1.00 0.00 C ATOM 886 CG PRO A 61 -2.097 2.878 2.990 1.00 0.00 C ATOM 887 CD PRO A 61 -0.790 3.381 2.399 1.00 0.00 C ATOM 0 HA PRO A 61 -0.667 0.150 1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.203 1.141 2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.032 0.796 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.942 3.418 2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.120 3.049 4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.959 4.214 1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.115 3.738 3.177 1.00 0.00 H new ATOM 895 N LEU A 62 -1.988 -0.271 -0.167 1.00 0.00 N ATOM 896 CA LEU A 62 -2.547 -0.549 -1.479 1.00 0.00 C ATOM 897 C LEU A 62 -3.880 0.188 -1.627 1.00 0.00 C ATOM 898 O LEU A 62 -4.293 0.918 -0.728 1.00 0.00 O ATOM 899 CB LEU A 62 -2.651 -2.058 -1.708 1.00 0.00 C ATOM 900 CG LEU A 62 -1.414 -2.880 -1.336 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.133 -2.074 -1.560 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.517 -3.407 0.097 1.00 0.00 C ATOM 0 H LEU A 62 -1.811 -1.097 0.405 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.886 -0.175 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.499 -2.435 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.875 -2.231 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.368 -3.747 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.731 -2.681 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.061 -1.790 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.155 -1.177 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.626 -3.987 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.600 -2.568 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.399 -4.041 0.189 1.00 0.00 H new ATOM 914 N GLU A 63 -4.515 -0.029 -2.769 1.00 0.00 N ATOM 915 CA GLU A 63 -5.792 0.606 -3.047 1.00 0.00 C ATOM 916 C GLU A 63 -6.884 -0.451 -3.219 1.00 0.00 C ATOM 917 O GLU A 63 -8.026 -0.242 -2.811 1.00 0.00 O ATOM 918 CB GLU A 63 -5.701 1.505 -4.282 1.00 0.00 C ATOM 919 CG GLU A 63 -5.259 2.919 -3.899 1.00 0.00 C ATOM 920 CD GLU A 63 -5.584 3.916 -5.014 1.00 0.00 C ATOM 921 OE1 GLU A 63 -5.580 3.478 -6.185 1.00 0.00 O ATOM 922 OE2 GLU A 63 -5.828 5.092 -4.670 1.00 0.00 O ATOM 0 H GLU A 63 -4.169 -0.636 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.054 1.237 -2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.994 1.080 -4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.670 1.545 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.757 3.223 -2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.187 2.927 -3.700 1.00 0.00 H new ATOM 929 N GLU A 64 -6.496 -1.564 -3.823 1.00 0.00 N ATOM 930 CA GLU A 64 -7.428 -2.655 -4.054 1.00 0.00 C ATOM 931 C GLU A 64 -6.689 -3.878 -4.600 1.00 0.00 C ATOM 932 O GLU A 64 -5.488 -3.818 -4.858 1.00 0.00 O ATOM 933 CB GLU A 64 -8.551 -2.226 -5.000 1.00 0.00 C ATOM 934 CG GLU A 64 -8.009 -1.944 -6.402 1.00 0.00 C ATOM 935 CD GLU A 64 -8.381 -0.532 -6.861 1.00 0.00 C ATOM 936 OE1 GLU A 64 -7.947 0.419 -6.177 1.00 0.00 O ATOM 937 OE2 GLU A 64 -9.092 -0.437 -7.885 1.00 0.00 O ATOM 0 H GLU A 64 -5.548 -1.734 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.883 -2.925 -3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.308 -3.008 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.040 -1.334 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.925 -2.058 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.409 -2.676 -7.104 1.00 0.00 H new ATOM 944 N ASP A 65 -7.438 -4.959 -4.760 1.00 0.00 N ATOM 945 CA ASP A 65 -6.869 -6.195 -5.271 1.00 0.00 C ATOM 946 C ASP A 65 -5.881 -5.871 -6.393 1.00 0.00 C ATOM 947 O ASP A 65 -6.272 -5.356 -7.440 1.00 0.00 O ATOM 948 CB ASP A 65 -7.955 -7.105 -5.847 1.00 0.00 C ATOM 949 CG ASP A 65 -9.162 -7.329 -4.933 1.00 0.00 C ATOM 950 OD1 ASP A 65 -9.763 -6.311 -4.528 1.00 0.00 O ATOM 951 OD2 ASP A 65 -9.456 -8.513 -4.661 1.00 0.00 O ATOM 0 H ASP A 65 -8.434 -5.005 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.373 -6.704 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.304 -6.679 -6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.511 -8.072 -6.081 1.00 0.00 H new ATOM 956 N CYS A 66 -4.619 -6.185 -6.137 1.00 0.00 N ATOM 957 CA CYS A 66 -3.572 -5.933 -7.112 1.00 0.00 C ATOM 958 C CYS A 66 -2.456 -6.956 -6.894 1.00 0.00 C ATOM 959 O CYS A 66 -2.579 -7.845 -6.052 1.00 0.00 O ATOM 960 CB CYS A 66 -3.054 -4.496 -7.028 1.00 0.00 C ATOM 961 SG CYS A 66 -2.451 -4.146 -5.336 1.00 0.00 S ATOM 0 H CYS A 66 -4.298 -6.612 -5.268 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.975 -6.045 -8.119 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.249 -4.348 -7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.849 -3.798 -7.291 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.463 -3.912 -4.554 1.00 0.00 H new ATOM 967 N THR A 67 -1.391 -6.797 -7.666 1.00 0.00 N ATOM 968 CA THR A 67 -0.253 -7.695 -7.567 1.00 0.00 C ATOM 969 C THR A 67 0.929 -6.987 -6.903 1.00 0.00 C ATOM 970 O THR A 67 1.149 -5.797 -7.124 1.00 0.00 O ATOM 971 CB THR A 67 0.061 -8.217 -8.970 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.102 -7.076 -9.809 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.992 -9.205 -9.477 1.00 0.00 C ATOM 0 H THR A 67 -1.292 -6.059 -8.363 1.00 0.00 H new ATOM 0 HA THR A 67 -0.478 -8.550 -6.930 1.00 0.00 H new ATOM 0 HB THR A 67 1.039 -8.698 -8.968 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.084 -7.324 -10.739 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.721 -9.544 -10.477 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.042 -10.061 -8.804 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.965 -8.714 -9.512 1.00 0.00 H new ATOM 981 N LEU A 68 1.660 -7.750 -6.103 1.00 0.00 N ATOM 982 CA LEU A 68 2.815 -7.210 -5.405 1.00 0.00 C ATOM 983 C LEU A 68 4.093 -7.765 -6.039 1.00 0.00 C ATOM 984 O LEU A 68 4.167 -8.949 -6.361 1.00 0.00 O ATOM 985 CB LEU A 68 2.707 -7.478 -3.903 1.00 0.00 C ATOM 986 CG LEU A 68 3.921 -7.080 -3.061 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.166 -5.571 -3.131 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.774 -7.571 -1.620 1.00 0.00 C ATOM 0 H LEU A 68 1.475 -8.737 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 68 2.851 -6.126 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.835 -6.947 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.521 -8.542 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 68 4.801 -7.569 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.034 -5.315 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.348 -5.279 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.291 -5.042 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.650 -7.275 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.881 -7.131 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.685 -8.657 -1.613 1.00 0.00 H new ATOM 1000 N GLU A 69 5.068 -6.881 -6.198 1.00 0.00 N ATOM 1001 CA GLU A 69 6.339 -7.268 -6.787 1.00 0.00 C ATOM 1002 C GLU A 69 7.455 -6.347 -6.291 1.00 0.00 C ATOM 1003 O GLU A 69 7.537 -5.189 -6.698 1.00 0.00 O ATOM 1004 CB GLU A 69 6.260 -7.260 -8.315 1.00 0.00 C ATOM 1005 CG GLU A 69 7.619 -7.588 -8.935 1.00 0.00 C ATOM 1006 CD GLU A 69 7.512 -7.711 -10.457 1.00 0.00 C ATOM 1007 OE1 GLU A 69 6.910 -6.796 -11.059 1.00 0.00 O ATOM 1008 OE2 GLU A 69 8.034 -8.717 -10.983 1.00 0.00 O ATOM 0 H GLU A 69 5.003 -5.899 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 69 6.568 -8.286 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.519 -7.987 -8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.925 -6.282 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.337 -6.809 -8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.998 -8.521 -8.517 1.00 0.00 H new ATOM 1015 N LEU A 70 8.288 -6.896 -5.418 1.00 0.00 N ATOM 1016 CA LEU A 70 9.396 -6.138 -4.862 1.00 0.00 C ATOM 1017 C LEU A 70 10.494 -6.000 -5.918 1.00 0.00 C ATOM 1018 O LEU A 70 10.794 -6.954 -6.635 1.00 0.00 O ATOM 1019 CB LEU A 70 9.875 -6.771 -3.555 1.00 0.00 C ATOM 1020 CG LEU A 70 8.793 -7.058 -2.512 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.811 -5.890 -2.405 1.00 0.00 C ATOM 1022 CD2 LEU A 70 8.082 -8.380 -2.809 1.00 0.00 C ATOM 0 H LEU A 70 8.217 -7.857 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 70 9.076 -5.129 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.381 -7.707 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.618 -6.112 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 70 9.275 -7.163 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.052 -6.120 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.349 -4.988 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.331 -5.728 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.318 -8.560 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.614 -8.329 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.807 -9.194 -2.794 1.00 0.00 H new ATOM 1034 N LEU A 71 11.064 -4.806 -5.981 1.00 0.00 N ATOM 1035 CA LEU A 71 12.123 -4.531 -6.937 1.00 0.00 C ATOM 1036 C LEU A 71 13.480 -4.680 -6.246 1.00 0.00 C ATOM 1037 O LEU A 71 13.606 -4.407 -5.053 1.00 0.00 O ATOM 1038 CB LEU A 71 11.913 -3.164 -7.591 1.00 0.00 C ATOM 1039 CG LEU A 71 10.886 -3.114 -8.724 1.00 0.00 C ATOM 1040 CD1 LEU A 71 9.718 -4.063 -8.448 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.413 -1.680 -8.971 1.00 0.00 C ATOM 0 H LEU A 71 10.812 -4.017 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 71 12.098 -5.255 -7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.608 -2.457 -6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.871 -2.818 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 71 11.369 -3.456 -9.639 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.003 -4.008 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.091 -5.083 -8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.227 -3.775 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.684 -1.672 -9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.953 -1.287 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.265 -1.058 -9.244 1.00 0.00 H new