USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 571 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 58 GLN : amide:sc= 0.771 K(o=2,f=-11!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -163:sc= 1.25 (180deg=0) USER MOD Set 2.1: A 12 THR OG1 : rot 170:sc= 0.194 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -141:sc= -0.0382 (180deg=-0.702) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.496 K(o=-0.5,f=-9.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 47:sc= -2.1! USER MOD Single : A 50 THR OG1 : rot -86:sc= 0.24 USER MOD Single : A 57 THR OG1 : rot 119:sc= -2.46! USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot -150:sc= -4.23! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 11.052 9.143 -6.370 1.00 0.00 N ATOM 57 CA VAL A 5 9.570 9.080 -6.513 1.00 0.00 C ATOM 58 C VAL A 5 9.208 7.996 -7.534 1.00 0.00 C ATOM 59 O VAL A 5 9.929 7.770 -8.487 1.00 0.00 O ATOM 60 CB VAL A 5 9.052 10.438 -6.992 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.569 10.567 -6.655 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.829 11.550 -6.285 1.00 0.00 C ATOM 0 HA VAL A 5 9.114 8.838 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 5 9.188 10.520 -8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.201 11.535 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.013 9.772 -7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.433 10.487 -5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.464 12.520 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.688 11.464 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.889 11.459 -6.520 1.00 0.00 H new ATOM 72 N SER A 6 8.110 7.312 -7.345 1.00 0.00 N ATOM 73 CA SER A 6 7.740 6.239 -8.316 1.00 0.00 C ATOM 74 C SER A 6 6.673 6.731 -9.291 1.00 0.00 C ATOM 75 O SER A 6 5.545 6.990 -8.920 1.00 0.00 O ATOM 76 CB SER A 6 7.189 5.014 -7.575 1.00 0.00 C ATOM 77 OG SER A 6 7.901 4.839 -6.358 1.00 0.00 O ATOM 0 H SER A 6 7.460 7.447 -6.570 1.00 0.00 H new ATOM 0 HA SER A 6 8.642 5.970 -8.866 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.126 5.146 -7.372 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.287 4.124 -8.197 1.00 0.00 H new ATOM 0 HG SER A 6 7.549 4.058 -5.883 1.00 0.00 H new ATOM 83 N LYS A 7 7.010 6.808 -10.550 1.00 0.00 N ATOM 84 CA LYS A 7 6.009 7.219 -11.567 1.00 0.00 C ATOM 85 C LYS A 7 5.286 5.946 -11.988 1.00 0.00 C ATOM 86 O LYS A 7 5.801 5.154 -12.756 1.00 0.00 O ATOM 87 CB LYS A 7 6.714 7.846 -12.771 1.00 0.00 C ATOM 88 CG LYS A 7 5.700 8.634 -13.603 1.00 0.00 C ATOM 89 CD LYS A 7 5.209 9.840 -12.799 1.00 0.00 C ATOM 90 CE LYS A 7 3.682 9.899 -12.847 1.00 0.00 C ATOM 91 NZ LYS A 7 3.248 11.279 -13.205 1.00 0.00 N ATOM 0 H LYS A 7 7.940 6.603 -10.916 1.00 0.00 H new ATOM 0 HA LYS A 7 5.314 7.958 -11.169 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.515 8.505 -12.435 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.175 7.069 -13.381 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.158 8.966 -14.535 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.859 7.995 -13.871 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.548 9.764 -11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.632 10.758 -13.206 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.303 9.186 -13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.266 9.615 -11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.405 11.533 -12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.015 11.949 -12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.020 11.319 -14.219 1.00 0.00 H new ATOM 105 N LEU A 8 4.130 5.704 -11.448 1.00 0.00 N ATOM 106 CA LEU A 8 3.424 4.440 -11.775 1.00 0.00 C ATOM 107 C LEU A 8 2.343 4.638 -12.831 1.00 0.00 C ATOM 108 O LEU A 8 1.451 5.451 -12.692 1.00 0.00 O ATOM 109 CB LEU A 8 2.764 3.893 -10.505 1.00 0.00 C ATOM 110 CG LEU A 8 3.690 2.897 -9.797 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.906 2.149 -8.717 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.230 1.882 -10.805 1.00 0.00 C ATOM 0 H LEU A 8 3.645 6.322 -10.798 1.00 0.00 H new ATOM 0 HA LEU A 8 4.164 3.745 -12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.524 4.715 -9.831 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.824 3.404 -10.760 1.00 0.00 H new ATOM 0 HG LEU A 8 4.519 3.443 -9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.565 1.441 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.517 2.862 -7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.077 1.610 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.887 1.177 -10.295 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.399 1.341 -11.257 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.789 2.403 -11.582 1.00 0.00 H new ATOM 124 N ARG A 9 2.385 3.832 -13.854 1.00 0.00 N ATOM 125 CA ARG A 9 1.332 3.880 -14.897 1.00 0.00 C ATOM 126 C ARG A 9 0.575 2.566 -14.757 1.00 0.00 C ATOM 127 O ARG A 9 1.064 1.515 -15.121 1.00 0.00 O ATOM 128 CB ARG A 9 1.967 3.979 -16.287 1.00 0.00 C ATOM 129 CG ARG A 9 0.869 3.967 -17.352 1.00 0.00 C ATOM 130 CD ARG A 9 1.504 3.826 -18.737 1.00 0.00 C ATOM 131 NE ARG A 9 0.794 4.713 -19.699 1.00 0.00 N ATOM 132 CZ ARG A 9 0.757 4.403 -20.966 1.00 0.00 C ATOM 133 NH1 ARG A 9 1.573 3.504 -21.442 1.00 0.00 N ATOM 134 NH2 ARG A 9 -0.099 4.991 -21.757 1.00 0.00 N ATOM 0 H ARG A 9 3.113 3.135 -14.011 1.00 0.00 H new ATOM 0 HA ARG A 9 0.679 4.745 -14.780 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.555 4.894 -16.366 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.652 3.146 -16.446 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.180 3.142 -17.170 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.286 4.887 -17.299 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.561 4.090 -18.693 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.448 2.790 -19.071 1.00 0.00 H new ATOM 0 HE ARG A 9 0.337 5.563 -19.368 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.241 3.043 -20.824 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.544 3.262 -22.432 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.739 5.693 -21.385 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.128 4.749 -22.747 1.00 0.00 H new ATOM 148 N ILE A 10 -0.587 2.599 -14.177 1.00 0.00 N ATOM 149 CA ILE A 10 -1.328 1.332 -13.955 1.00 0.00 C ATOM 150 C ILE A 10 -2.457 1.195 -14.980 1.00 0.00 C ATOM 151 O ILE A 10 -3.326 2.024 -15.074 1.00 0.00 O ATOM 152 CB ILE A 10 -1.887 1.347 -12.526 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.865 1.998 -11.572 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.162 -0.083 -12.057 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.608 2.609 -10.391 1.00 0.00 C ATOM 0 H ILE A 10 -1.054 3.444 -13.848 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.663 0.478 -14.079 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.815 1.919 -12.519 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.149 1.254 -11.222 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.296 2.766 -12.097 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.558 -0.063 -11.042 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.889 -0.550 -12.721 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.235 -0.656 -12.073 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.893 3.072 -9.711 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.306 3.364 -10.752 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.157 1.829 -9.864 1.00 0.00 H new ATOM 167 N ARG A 11 -2.437 0.156 -15.763 1.00 0.00 N ATOM 168 CA ARG A 11 -3.497 -0.024 -16.792 1.00 0.00 C ATOM 169 C ARG A 11 -4.596 -0.955 -16.254 1.00 0.00 C ATOM 170 O ARG A 11 -4.360 -1.787 -15.401 1.00 0.00 O ATOM 171 CB ARG A 11 -2.843 -0.603 -18.063 1.00 0.00 C ATOM 172 CG ARG A 11 -3.689 -1.732 -18.668 1.00 0.00 C ATOM 173 CD ARG A 11 -3.369 -3.040 -17.944 1.00 0.00 C ATOM 174 NE ARG A 11 -4.480 -4.009 -18.153 1.00 0.00 N ATOM 175 CZ ARG A 11 -4.233 -5.289 -18.173 1.00 0.00 C ATOM 176 NH1 ARG A 11 -4.724 -6.065 -17.245 1.00 0.00 N ATOM 177 NH2 ARG A 11 -3.491 -5.795 -19.120 1.00 0.00 N ATOM 0 H ARG A 11 -1.730 -0.579 -15.735 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.965 0.931 -17.033 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.713 0.190 -18.800 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.849 -0.981 -17.822 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.750 -1.499 -18.573 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.478 -1.830 -19.733 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.434 -3.456 -18.319 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.230 -2.854 -16.879 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.434 -3.671 -18.280 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.302 -5.670 -16.503 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.530 -7.066 -17.262 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.105 -5.189 -19.844 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.297 -6.796 -19.136 1.00 0.00 H new ATOM 191 N THR A 12 -5.794 -0.813 -16.757 1.00 0.00 N ATOM 192 CA THR A 12 -6.918 -1.680 -16.295 1.00 0.00 C ATOM 193 C THR A 12 -7.306 -2.640 -17.426 1.00 0.00 C ATOM 194 O THR A 12 -6.702 -2.622 -18.481 1.00 0.00 O ATOM 195 CB THR A 12 -8.129 -0.810 -15.925 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.061 -0.820 -16.997 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.685 0.628 -15.653 1.00 0.00 C ATOM 0 H THR A 12 -6.044 -0.130 -17.472 1.00 0.00 H new ATOM 0 HA THR A 12 -6.604 -2.247 -15.418 1.00 0.00 H new ATOM 0 HB THR A 12 -8.594 -1.214 -15.025 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.899 -0.403 -16.706 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.553 1.234 -15.392 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.973 0.639 -14.827 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.212 1.038 -16.545 1.00 0.00 H new ATOM 205 N PRO A 13 -8.303 -3.452 -17.175 1.00 0.00 N ATOM 206 CA PRO A 13 -8.791 -4.431 -18.159 1.00 0.00 C ATOM 207 C PRO A 13 -9.715 -3.752 -19.175 1.00 0.00 C ATOM 208 O PRO A 13 -10.052 -4.316 -20.197 1.00 0.00 O ATOM 209 CB PRO A 13 -9.568 -5.438 -17.305 1.00 0.00 C ATOM 210 CG PRO A 13 -9.964 -4.696 -16.006 1.00 0.00 C ATOM 211 CD PRO A 13 -9.032 -3.473 -15.890 1.00 0.00 C ATOM 0 HA PRO A 13 -7.992 -4.894 -18.737 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.452 -5.795 -17.833 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.956 -6.312 -17.082 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.008 -4.385 -16.042 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.855 -5.348 -15.140 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.598 -2.554 -15.738 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.349 -3.571 -15.046 1.00 0.00 H new ATOM 219 N SER A 14 -10.124 -2.544 -18.902 1.00 0.00 N ATOM 220 CA SER A 14 -11.024 -1.829 -19.850 1.00 0.00 C ATOM 221 C SER A 14 -10.196 -0.879 -20.717 1.00 0.00 C ATOM 222 O SER A 14 -10.729 -0.056 -21.436 1.00 0.00 O ATOM 223 CB SER A 14 -12.061 -1.027 -19.061 1.00 0.00 C ATOM 224 OG SER A 14 -12.096 -1.495 -17.721 1.00 0.00 O ATOM 0 H SER A 14 -9.874 -2.021 -18.063 1.00 0.00 H new ATOM 0 HA SER A 14 -11.533 -2.553 -20.487 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.810 0.033 -19.081 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.044 -1.131 -19.520 1.00 0.00 H new ATOM 0 HG SER A 14 -12.758 -0.982 -17.212 1.00 0.00 H new ATOM 230 N GLY A 15 -8.898 -0.986 -20.656 1.00 0.00 N ATOM 231 CA GLY A 15 -8.037 -0.087 -21.476 1.00 0.00 C ATOM 232 C GLY A 15 -7.840 1.241 -20.743 1.00 0.00 C ATOM 233 O GLY A 15 -7.296 2.183 -21.282 1.00 0.00 O ATOM 0 H GLY A 15 -8.396 -1.657 -20.074 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.072 -0.559 -21.660 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.498 0.087 -22.448 1.00 0.00 H new ATOM 237 N GLU A 16 -8.278 1.325 -19.515 1.00 0.00 N ATOM 238 CA GLU A 16 -8.113 2.594 -18.753 1.00 0.00 C ATOM 239 C GLU A 16 -6.686 2.675 -18.208 1.00 0.00 C ATOM 240 O GLU A 16 -5.978 1.689 -18.147 1.00 0.00 O ATOM 241 CB GLU A 16 -9.106 2.627 -17.590 1.00 0.00 C ATOM 242 CG GLU A 16 -10.046 3.822 -17.759 1.00 0.00 C ATOM 243 CD GLU A 16 -11.478 3.396 -17.434 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.639 2.505 -16.616 1.00 0.00 O ATOM 245 OE2 GLU A 16 -12.390 3.968 -18.007 1.00 0.00 O ATOM 0 H GLU A 16 -8.742 0.571 -19.009 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.301 3.441 -19.412 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.679 1.700 -17.560 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.572 2.702 -16.643 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.739 4.635 -17.101 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.991 4.200 -18.780 1.00 0.00 H new ATOM 252 N PHE A 17 -6.255 3.842 -17.815 1.00 0.00 N ATOM 253 CA PHE A 17 -4.872 3.982 -17.277 1.00 0.00 C ATOM 254 C PHE A 17 -4.883 4.900 -16.052 1.00 0.00 C ATOM 255 O PHE A 17 -5.310 6.035 -16.119 1.00 0.00 O ATOM 256 CB PHE A 17 -3.968 4.597 -18.350 1.00 0.00 C ATOM 257 CG PHE A 17 -3.113 3.528 -18.992 1.00 0.00 C ATOM 258 CD1 PHE A 17 -1.954 3.067 -18.347 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.470 3.007 -20.242 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.161 2.085 -18.952 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.673 2.027 -20.846 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.520 1.567 -20.202 1.00 0.00 C ATOM 0 H PHE A 17 -6.800 4.704 -17.843 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.498 2.998 -16.994 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.576 5.090 -19.108 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.332 5.362 -17.905 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.675 3.470 -17.385 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.360 3.361 -20.740 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.272 1.727 -18.454 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.949 1.626 -21.810 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.906 0.811 -20.669 1.00 0.00 H new ATOM 272 N LEU A 18 -4.389 4.427 -14.943 1.00 0.00 N ATOM 273 CA LEU A 18 -4.339 5.274 -13.725 1.00 0.00 C ATOM 274 C LEU A 18 -2.925 5.810 -13.583 1.00 0.00 C ATOM 275 O LEU A 18 -2.010 5.101 -13.199 1.00 0.00 O ATOM 276 CB LEU A 18 -4.672 4.465 -12.468 1.00 0.00 C ATOM 277 CG LEU A 18 -5.953 3.662 -12.662 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.057 4.550 -13.240 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.670 2.508 -13.614 1.00 0.00 C ATOM 0 H LEU A 18 -4.016 3.484 -14.830 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.070 6.076 -13.826 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.847 3.791 -12.235 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.785 5.137 -11.617 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.288 3.278 -11.699 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.965 3.962 -13.373 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.256 5.375 -12.556 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.738 4.947 -14.204 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.580 1.926 -13.761 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.333 2.902 -14.573 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.895 1.869 -13.191 1.00 0.00 H new ATOM 291 N GLU A 19 -2.738 7.053 -13.885 1.00 0.00 N ATOM 292 CA GLU A 19 -1.380 7.647 -13.756 1.00 0.00 C ATOM 293 C GLU A 19 -1.177 8.043 -12.299 1.00 0.00 C ATOM 294 O GLU A 19 -1.961 8.779 -11.734 1.00 0.00 O ATOM 295 CB GLU A 19 -1.263 8.883 -14.652 1.00 0.00 C ATOM 296 CG GLU A 19 -1.710 8.531 -16.073 1.00 0.00 C ATOM 297 CD GLU A 19 -1.573 9.761 -16.973 1.00 0.00 C ATOM 298 OE1 GLU A 19 -2.242 10.744 -16.704 1.00 0.00 O ATOM 299 OE2 GLU A 19 -0.800 9.698 -17.915 1.00 0.00 O ATOM 0 H GLU A 19 -3.463 7.689 -14.216 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.622 6.927 -14.063 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.878 9.691 -14.256 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.234 9.241 -14.662 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.105 7.713 -16.463 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.744 8.187 -16.065 1.00 0.00 H new ATOM 306 N ARG A 20 -0.155 7.539 -11.668 1.00 0.00 N ATOM 307 CA ARG A 20 0.044 7.877 -10.236 1.00 0.00 C ATOM 308 C ARG A 20 1.509 8.162 -9.926 1.00 0.00 C ATOM 309 O ARG A 20 2.381 7.355 -10.179 1.00 0.00 O ATOM 310 CB ARG A 20 -0.409 6.696 -9.383 1.00 0.00 C ATOM 311 CG ARG A 20 -0.936 7.201 -8.039 1.00 0.00 C ATOM 312 CD ARG A 20 -2.065 8.210 -8.270 1.00 0.00 C ATOM 313 NE ARG A 20 -1.517 9.594 -8.225 1.00 0.00 N ATOM 314 CZ ARG A 20 -2.293 10.611 -8.486 1.00 0.00 C ATOM 315 NH1 ARG A 20 -2.401 11.052 -9.710 1.00 0.00 N ATOM 316 NH2 ARG A 20 -2.963 11.185 -7.525 1.00 0.00 N ATOM 0 H ARG A 20 0.542 6.916 -12.076 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.538 8.772 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.187 6.137 -9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.423 6.010 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.300 6.364 -7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.129 7.667 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.538 8.027 -9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.836 8.089 -7.509 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.536 9.747 -7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.879 10.602 -10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.007 11.846 -9.914 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.881 10.839 -6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.569 11.979 -7.730 1.00 0.00 H new ATOM 330 N ARG A 21 1.772 9.285 -9.325 1.00 0.00 N ATOM 331 CA ARG A 21 3.164 9.611 -8.930 1.00 0.00 C ATOM 332 C ARG A 21 3.225 9.486 -7.411 1.00 0.00 C ATOM 333 O ARG A 21 2.506 10.161 -6.701 1.00 0.00 O ATOM 334 CB ARG A 21 3.501 11.043 -9.349 1.00 0.00 C ATOM 335 CG ARG A 21 5.003 11.283 -9.181 1.00 0.00 C ATOM 336 CD ARG A 21 5.299 12.779 -9.314 1.00 0.00 C ATOM 337 NE ARG A 21 5.089 13.203 -10.727 1.00 0.00 N ATOM 338 CZ ARG A 21 5.921 14.037 -11.290 1.00 0.00 C ATOM 339 NH1 ARG A 21 6.608 13.666 -12.336 1.00 0.00 N ATOM 340 NH2 ARG A 21 6.065 15.240 -10.806 1.00 0.00 N ATOM 0 H ARG A 21 1.078 9.994 -9.090 1.00 0.00 H new ATOM 0 HA ARG A 21 3.879 8.942 -9.410 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.209 11.208 -10.386 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.938 11.753 -8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.333 10.921 -8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.558 10.723 -9.934 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.648 13.350 -8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.325 12.986 -9.010 1.00 0.00 H new ATOM 0 HE ARG A 21 4.295 12.841 -11.255 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.495 12.725 -12.713 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.258 14.317 -12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.528 15.528 -9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.715 15.892 -11.245 1.00 0.00 H new ATOM 354 N PHE A 22 4.042 8.613 -6.895 1.00 0.00 N ATOM 355 CA PHE A 22 4.082 8.454 -5.416 1.00 0.00 C ATOM 356 C PHE A 22 5.423 8.883 -4.848 1.00 0.00 C ATOM 357 O PHE A 22 6.464 8.624 -5.416 1.00 0.00 O ATOM 358 CB PHE A 22 3.915 6.990 -5.029 1.00 0.00 C ATOM 359 CG PHE A 22 2.741 6.354 -5.711 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.443 6.612 -5.266 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.960 5.470 -6.770 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.361 5.988 -5.887 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.879 4.845 -7.389 1.00 0.00 C ATOM 364 CZ PHE A 22 0.581 5.105 -6.949 1.00 0.00 C ATOM 0 H PHE A 22 4.674 8.011 -7.423 1.00 0.00 H new ATOM 0 HA PHE A 22 3.275 9.071 -5.021 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.822 6.443 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.791 6.913 -3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.277 7.292 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.966 5.271 -7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.645 6.186 -5.548 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.046 4.161 -8.208 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.257 4.623 -7.430 1.00 0.00 H new ATOM 374 N LEU A 23 5.407 9.462 -3.684 1.00 0.00 N ATOM 375 CA LEU A 23 6.684 9.820 -3.033 1.00 0.00 C ATOM 376 C LEU A 23 7.262 8.511 -2.501 1.00 0.00 C ATOM 377 O LEU A 23 6.548 7.701 -1.955 1.00 0.00 O ATOM 378 CB LEU A 23 6.426 10.788 -1.876 1.00 0.00 C ATOM 379 CG LEU A 23 7.195 12.088 -2.118 1.00 0.00 C ATOM 380 CD1 LEU A 23 8.674 11.772 -2.342 1.00 0.00 C ATOM 381 CD2 LEU A 23 6.631 12.790 -3.355 1.00 0.00 C ATOM 0 H LEU A 23 4.565 9.701 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 23 7.368 10.308 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.359 10.994 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.739 10.338 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 23 7.090 12.739 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.222 12.698 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.076 11.271 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.780 11.121 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.178 13.717 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.736 12.139 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.576 13.016 -3.196 1.00 0.00 H new ATOM 393 N ALA A 24 8.521 8.268 -2.684 1.00 0.00 N ATOM 394 CA ALA A 24 9.097 6.976 -2.204 1.00 0.00 C ATOM 395 C ALA A 24 8.559 6.629 -0.806 1.00 0.00 C ATOM 396 O ALA A 24 8.516 5.473 -0.420 1.00 0.00 O ATOM 397 CB ALA A 24 10.619 7.091 -2.153 1.00 0.00 C ATOM 0 H ALA A 24 9.179 8.899 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 24 8.807 6.183 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.043 6.150 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.001 7.313 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.901 7.892 -1.470 1.00 0.00 H new ATOM 403 N SER A 25 8.152 7.609 -0.044 1.00 0.00 N ATOM 404 CA SER A 25 7.626 7.324 1.324 1.00 0.00 C ATOM 405 C SER A 25 6.117 7.052 1.265 1.00 0.00 C ATOM 406 O SER A 25 5.489 6.769 2.266 1.00 0.00 O ATOM 407 CB SER A 25 7.888 8.527 2.229 1.00 0.00 C ATOM 408 OG SER A 25 7.056 9.607 1.825 1.00 0.00 O ATOM 0 H SER A 25 8.161 8.594 -0.309 1.00 0.00 H new ATOM 0 HA SER A 25 8.131 6.444 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.686 8.266 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.937 8.819 2.171 1.00 0.00 H new ATOM 0 HG SER A 25 7.220 10.380 2.404 1.00 0.00 H new ATOM 414 N ASN A 26 5.534 7.136 0.102 1.00 0.00 N ATOM 415 CA ASN A 26 4.069 6.885 -0.024 1.00 0.00 C ATOM 416 C ASN A 26 3.739 5.490 0.511 1.00 0.00 C ATOM 417 O ASN A 26 4.584 4.811 1.063 1.00 0.00 O ATOM 418 CB ASN A 26 3.661 6.978 -1.496 1.00 0.00 C ATOM 419 CG ASN A 26 2.760 8.197 -1.700 1.00 0.00 C ATOM 420 OD1 ASN A 26 3.004 9.008 -2.571 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.722 8.363 -0.927 1.00 0.00 N ATOM 0 H ASN A 26 6.009 7.368 -0.770 1.00 0.00 H new ATOM 0 HA ASN A 26 3.523 7.631 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.547 7.058 -2.126 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.137 6.071 -1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.116 9.173 -1.054 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.517 7.682 -0.196 1.00 0.00 H new ATOM 428 N LYS A 27 2.515 5.056 0.361 1.00 0.00 N ATOM 429 CA LYS A 27 2.141 3.709 0.875 1.00 0.00 C ATOM 430 C LYS A 27 1.311 2.952 -0.167 1.00 0.00 C ATOM 431 O LYS A 27 0.459 3.510 -0.844 1.00 0.00 O ATOM 432 CB LYS A 27 1.319 3.865 2.158 1.00 0.00 C ATOM 433 CG LYS A 27 1.770 5.118 2.911 1.00 0.00 C ATOM 434 CD LYS A 27 1.052 6.343 2.339 1.00 0.00 C ATOM 435 CE LYS A 27 0.614 7.259 3.483 1.00 0.00 C ATOM 436 NZ LYS A 27 -0.791 6.941 3.863 1.00 0.00 N ATOM 0 H LYS A 27 1.763 5.574 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 27 3.051 3.146 1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.259 3.937 1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.443 2.985 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.548 5.016 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.849 5.241 2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.714 6.882 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.185 6.031 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.273 7.127 4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.692 8.303 3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.090 7.563 4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.414 7.088 3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.852 5.949 4.170 1.00 0.00 H new ATOM 450 N LEU A 28 1.544 1.673 -0.294 1.00 0.00 N ATOM 451 CA LEU A 28 0.765 0.875 -1.278 1.00 0.00 C ATOM 452 C LEU A 28 -0.724 1.077 -0.993 1.00 0.00 C ATOM 453 O LEU A 28 -1.523 1.226 -1.896 1.00 0.00 O ATOM 454 CB LEU A 28 1.109 -0.605 -1.127 1.00 0.00 C ATOM 455 CG LEU A 28 1.449 -1.222 -2.485 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.497 -0.410 -3.232 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.973 -2.634 -2.260 1.00 0.00 C ATOM 0 H LEU A 28 2.238 1.150 0.240 1.00 0.00 H new ATOM 0 HA LEU A 28 1.005 1.197 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.954 -0.720 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.268 -1.135 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 28 0.544 -1.233 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.709 -0.883 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.123 0.600 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.411 -0.364 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.220 -3.088 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.866 -2.596 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.208 -3.231 -1.763 1.00 0.00 H new ATOM 469 N GLN A 29 -1.104 1.084 0.261 1.00 0.00 N ATOM 470 CA GLN A 29 -2.537 1.279 0.601 1.00 0.00 C ATOM 471 C GLN A 29 -3.052 2.513 -0.128 1.00 0.00 C ATOM 472 O GLN A 29 -4.136 2.513 -0.676 1.00 0.00 O ATOM 473 CB GLN A 29 -2.681 1.496 2.109 1.00 0.00 C ATOM 474 CG GLN A 29 -3.570 0.402 2.702 1.00 0.00 C ATOM 475 CD GLN A 29 -4.914 1.005 3.113 1.00 0.00 C ATOM 476 OE1 GLN A 29 -5.039 1.565 4.185 1.00 0.00 O ATOM 477 NE2 GLN A 29 -5.932 0.913 2.303 1.00 0.00 N ATOM 0 H GLN A 29 -0.481 0.963 1.059 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.108 0.399 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.700 1.479 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.114 2.477 2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.724 -0.392 1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.082 -0.049 3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.827 0.443 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.833 1.311 2.569 1.00 0.00 H new ATOM 486 N ILE A 30 -2.284 3.568 -0.149 1.00 0.00 N ATOM 487 CA ILE A 30 -2.751 4.784 -0.858 1.00 0.00 C ATOM 488 C ILE A 30 -2.825 4.476 -2.345 1.00 0.00 C ATOM 489 O ILE A 30 -3.774 4.820 -3.012 1.00 0.00 O ATOM 490 CB ILE A 30 -1.785 5.948 -0.603 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.616 7.223 -0.448 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.791 6.109 -1.768 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.726 8.459 -0.618 1.00 0.00 C ATOM 0 H ILE A 30 -1.366 3.637 0.289 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.736 5.074 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.206 5.751 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.415 7.237 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.090 7.240 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.119 6.941 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.211 5.193 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.339 6.307 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.329 9.360 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.942 8.450 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.273 8.447 -1.609 1.00 0.00 H new ATOM 505 N VAL A 31 -1.834 3.818 -2.868 1.00 0.00 N ATOM 506 CA VAL A 31 -1.882 3.485 -4.319 1.00 0.00 C ATOM 507 C VAL A 31 -3.196 2.775 -4.590 1.00 0.00 C ATOM 508 O VAL A 31 -3.969 3.150 -5.453 1.00 0.00 O ATOM 509 CB VAL A 31 -0.733 2.553 -4.702 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.528 2.614 -6.215 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.540 2.999 -3.991 1.00 0.00 C ATOM 0 H VAL A 31 -1.005 3.500 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.795 4.401 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.969 1.531 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.290 1.952 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.441 2.298 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.286 3.636 -6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.360 2.335 -4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.785 4.019 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.386 2.962 -2.913 1.00 0.00 H new ATOM 521 N PHE A 32 -3.445 1.748 -3.844 1.00 0.00 N ATOM 522 CA PHE A 32 -4.701 0.972 -4.022 1.00 0.00 C ATOM 523 C PHE A 32 -5.916 1.897 -3.906 1.00 0.00 C ATOM 524 O PHE A 32 -6.861 1.790 -4.666 1.00 0.00 O ATOM 525 CB PHE A 32 -4.775 -0.098 -2.933 1.00 0.00 C ATOM 526 CG PHE A 32 -3.524 -0.955 -2.963 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.581 -0.800 -3.994 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.304 -1.908 -1.958 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.431 -1.594 -4.012 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.150 -2.700 -1.982 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.219 -2.543 -3.005 1.00 0.00 C ATOM 0 H PHE A 32 -2.828 1.405 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.704 0.509 -5.009 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.880 0.373 -1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.657 -0.721 -3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.745 -0.068 -4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.026 -2.031 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.706 -1.475 -4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.982 -3.433 -1.207 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.330 -3.156 -3.022 1.00 0.00 H new ATOM 541 N ASP A 33 -5.913 2.799 -2.961 1.00 0.00 N ATOM 542 CA ASP A 33 -7.085 3.712 -2.808 1.00 0.00 C ATOM 543 C ASP A 33 -7.158 4.680 -3.992 1.00 0.00 C ATOM 544 O ASP A 33 -8.207 4.893 -4.572 1.00 0.00 O ATOM 545 CB ASP A 33 -6.946 4.512 -1.513 1.00 0.00 C ATOM 546 CG ASP A 33 -8.146 4.227 -0.606 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.063 3.298 0.179 1.00 0.00 O ATOM 548 OD2 ASP A 33 -9.127 4.944 -0.714 1.00 0.00 O ATOM 0 H ASP A 33 -5.156 2.943 -2.293 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.995 3.113 -2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.020 4.243 -1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.890 5.578 -1.735 1.00 0.00 H new ATOM 553 N PHE A 34 -6.058 5.279 -4.345 1.00 0.00 N ATOM 554 CA PHE A 34 -6.064 6.245 -5.476 1.00 0.00 C ATOM 555 C PHE A 34 -6.659 5.580 -6.719 1.00 0.00 C ATOM 556 O PHE A 34 -7.539 6.119 -7.360 1.00 0.00 O ATOM 557 CB PHE A 34 -4.614 6.695 -5.750 1.00 0.00 C ATOM 558 CG PHE A 34 -4.163 6.250 -7.124 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.654 6.893 -8.266 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.266 5.187 -7.250 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.245 6.471 -9.536 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.854 4.766 -8.517 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.343 5.407 -9.661 1.00 0.00 C ATOM 0 H PHE A 34 -5.152 5.141 -3.898 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.672 7.114 -5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.545 7.780 -5.673 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.950 6.279 -4.992 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.348 7.714 -8.167 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.891 4.690 -6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.624 6.965 -10.418 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.158 3.946 -8.614 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.025 5.081 -10.640 1.00 0.00 H new ATOM 573 N VAL A 35 -6.173 4.423 -7.078 1.00 0.00 N ATOM 574 CA VAL A 35 -6.718 3.764 -8.299 1.00 0.00 C ATOM 575 C VAL A 35 -8.178 3.400 -8.062 1.00 0.00 C ATOM 576 O VAL A 35 -9.045 3.770 -8.826 1.00 0.00 O ATOM 577 CB VAL A 35 -5.933 2.486 -8.644 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.852 2.817 -9.673 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.276 1.903 -7.390 1.00 0.00 C ATOM 0 H VAL A 35 -5.436 3.913 -6.590 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.626 4.461 -9.132 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.625 1.750 -9.053 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.295 1.913 -9.919 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.318 3.213 -10.575 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.172 3.561 -9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.726 1.000 -7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.589 2.635 -6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.045 1.658 -6.657 1.00 0.00 H new ATOM 589 N ALA A 36 -8.466 2.696 -7.001 1.00 0.00 N ATOM 590 CA ALA A 36 -9.879 2.322 -6.735 1.00 0.00 C ATOM 591 C ALA A 36 -10.749 3.576 -6.773 1.00 0.00 C ATOM 592 O ALA A 36 -11.934 3.513 -7.032 1.00 0.00 O ATOM 593 CB ALA A 36 -9.988 1.636 -5.374 1.00 0.00 C ATOM 0 H ALA A 36 -7.788 2.367 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.224 1.627 -7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.027 1.365 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.371 0.737 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.644 2.316 -4.595 1.00 0.00 H new ATOM 599 N SER A 37 -10.166 4.717 -6.541 1.00 0.00 N ATOM 600 CA SER A 37 -10.957 5.975 -6.589 1.00 0.00 C ATOM 601 C SER A 37 -11.156 6.380 -8.055 1.00 0.00 C ATOM 602 O SER A 37 -11.954 7.238 -8.371 1.00 0.00 O ATOM 603 CB SER A 37 -10.204 7.081 -5.849 1.00 0.00 C ATOM 604 OG SER A 37 -11.048 7.637 -4.847 1.00 0.00 O ATOM 0 H SER A 37 -9.177 4.833 -6.320 1.00 0.00 H new ATOM 0 HA SER A 37 -11.926 5.822 -6.113 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.298 6.679 -5.395 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.893 7.856 -6.549 1.00 0.00 H new ATOM 0 HG SER A 37 -10.567 8.345 -4.370 1.00 0.00 H new ATOM 610 N LYS A 38 -10.425 5.767 -8.953 1.00 0.00 N ATOM 611 CA LYS A 38 -10.558 6.113 -10.398 1.00 0.00 C ATOM 612 C LYS A 38 -11.776 5.402 -11.004 1.00 0.00 C ATOM 613 O LYS A 38 -12.873 5.924 -11.005 1.00 0.00 O ATOM 614 CB LYS A 38 -9.290 5.676 -11.139 1.00 0.00 C ATOM 615 CG LYS A 38 -8.404 6.896 -11.414 1.00 0.00 C ATOM 616 CD LYS A 38 -8.074 7.596 -10.095 1.00 0.00 C ATOM 617 CE LYS A 38 -8.049 9.109 -10.314 1.00 0.00 C ATOM 618 NZ LYS A 38 -9.088 9.751 -9.460 1.00 0.00 N ATOM 0 H LYS A 38 -9.740 5.040 -8.745 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.693 7.190 -10.497 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.743 4.945 -10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.555 5.189 -12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.486 6.586 -11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.915 7.586 -12.086 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.816 7.339 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.108 7.256 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.064 9.507 -10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.233 9.339 -11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.072 10.780 -9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.025 9.379 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.893 9.542 -8.460 1.00 0.00 H new ATOM 632 N GLY A 39 -11.588 4.220 -11.533 1.00 0.00 N ATOM 633 CA GLY A 39 -12.731 3.482 -12.154 1.00 0.00 C ATOM 634 C GLY A 39 -13.042 2.214 -11.351 1.00 0.00 C ATOM 635 O GLY A 39 -14.014 1.527 -11.596 1.00 0.00 O ATOM 0 H GLY A 39 -10.692 3.733 -11.562 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.611 4.124 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.487 3.219 -13.183 1.00 0.00 H new ATOM 745 N LYS A 46 -6.705 -5.713 -6.966 1.00 0.00 N ATOM 746 CA LYS A 46 -5.253 -5.909 -6.708 1.00 0.00 C ATOM 747 C LYS A 46 -4.499 -5.528 -7.978 1.00 0.00 C ATOM 748 O LYS A 46 -4.878 -5.900 -9.071 1.00 0.00 O ATOM 749 CB LYS A 46 -4.981 -7.376 -6.366 1.00 0.00 C ATOM 750 CG LYS A 46 -4.899 -7.538 -4.847 1.00 0.00 C ATOM 751 CD LYS A 46 -6.061 -8.409 -4.364 1.00 0.00 C ATOM 752 CE LYS A 46 -7.325 -7.554 -4.244 1.00 0.00 C ATOM 753 NZ LYS A 46 -8.360 -8.302 -3.478 1.00 0.00 N ATOM 0 HA LYS A 46 -4.928 -5.292 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.774 -8.007 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.049 -7.702 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.949 -7.994 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.937 -6.562 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.229 -9.229 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.818 -8.855 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.095 -6.614 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.702 -7.302 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.219 -7.721 -3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.587 -9.187 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.998 -8.520 -2.528 1.00 0.00 H new ATOM 767 N LEU A 47 -3.447 -4.777 -7.850 1.00 0.00 N ATOM 768 CA LEU A 47 -2.690 -4.362 -9.056 1.00 0.00 C ATOM 769 C LEU A 47 -1.562 -5.358 -9.308 1.00 0.00 C ATOM 770 O LEU A 47 -1.042 -5.960 -8.396 1.00 0.00 O ATOM 771 CB LEU A 47 -2.111 -2.973 -8.816 1.00 0.00 C ATOM 772 CG LEU A 47 -3.251 -1.999 -8.519 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.803 -0.992 -7.463 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.631 -1.266 -9.802 1.00 0.00 C ATOM 0 H LEU A 47 -3.079 -4.433 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.347 -4.339 -9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.410 -2.997 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.553 -2.642 -9.692 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.114 -2.548 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.617 -0.299 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.531 -1.520 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.940 -0.437 -7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.444 -0.570 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.768 -0.716 -10.176 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.953 -1.988 -10.552 1.00 0.00 H new ATOM 786 N LEU A 48 -1.190 -5.550 -10.541 1.00 0.00 N ATOM 787 CA LEU A 48 -0.102 -6.518 -10.847 1.00 0.00 C ATOM 788 C LEU A 48 1.127 -5.750 -11.327 1.00 0.00 C ATOM 789 O LEU A 48 1.075 -5.031 -12.306 1.00 0.00 O ATOM 790 CB LEU A 48 -0.584 -7.484 -11.942 1.00 0.00 C ATOM 791 CG LEU A 48 0.601 -8.234 -12.566 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.268 -7.352 -13.623 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.621 -8.598 -11.484 1.00 0.00 C ATOM 0 H LEU A 48 -1.592 -5.078 -11.351 1.00 0.00 H new ATOM 0 HA LEU A 48 0.158 -7.089 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.290 -8.198 -11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.117 -6.929 -12.714 1.00 0.00 H new ATOM 0 HG LEU A 48 0.236 -9.149 -13.033 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.109 -7.886 -14.065 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.545 -7.107 -14.401 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.626 -6.434 -13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.458 -9.130 -11.937 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.985 -7.688 -11.006 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.148 -9.235 -10.737 1.00 0.00 H new ATOM 805 N SER A 49 2.238 -5.888 -10.651 1.00 0.00 N ATOM 806 CA SER A 49 3.454 -5.151 -11.089 1.00 0.00 C ATOM 807 C SER A 49 4.028 -5.850 -12.321 1.00 0.00 C ATOM 808 O SER A 49 4.332 -7.031 -12.292 1.00 0.00 O ATOM 809 CB SER A 49 4.495 -5.147 -9.973 1.00 0.00 C ATOM 810 OG SER A 49 4.168 -6.148 -9.017 1.00 0.00 O ATOM 0 H SER A 49 2.353 -6.473 -9.824 1.00 0.00 H new ATOM 0 HA SER A 49 3.193 -4.120 -11.327 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.487 -5.333 -10.385 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.527 -4.168 -9.494 1.00 0.00 H new ATOM 0 HG SER A 49 3.949 -6.984 -9.480 1.00 0.00 H new ATOM 816 N THR A 50 4.151 -5.136 -13.407 1.00 0.00 N ATOM 817 CA THR A 50 4.668 -5.751 -14.664 1.00 0.00 C ATOM 818 C THR A 50 6.188 -5.925 -14.608 1.00 0.00 C ATOM 819 O THR A 50 6.701 -6.985 -14.911 1.00 0.00 O ATOM 820 CB THR A 50 4.306 -4.849 -15.847 1.00 0.00 C ATOM 821 OG1 THR A 50 5.095 -3.669 -15.799 1.00 0.00 O ATOM 822 CG2 THR A 50 2.824 -4.478 -15.773 1.00 0.00 C ATOM 0 H THR A 50 3.914 -4.146 -13.478 1.00 0.00 H new ATOM 0 HA THR A 50 4.214 -6.735 -14.782 1.00 0.00 H new ATOM 0 HB THR A 50 4.499 -5.378 -16.780 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.658 -3.007 -15.224 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.567 -3.836 -16.615 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.220 -5.384 -15.810 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.627 -3.949 -14.840 1.00 0.00 H new ATOM 830 N PHE A 51 6.918 -4.901 -14.251 1.00 0.00 N ATOM 831 CA PHE A 51 8.403 -5.037 -14.214 1.00 0.00 C ATOM 832 C PHE A 51 8.781 -6.377 -13.567 1.00 0.00 C ATOM 833 O PHE A 51 9.320 -7.237 -14.235 1.00 0.00 O ATOM 834 CB PHE A 51 9.026 -3.872 -13.444 1.00 0.00 C ATOM 835 CG PHE A 51 9.751 -2.964 -14.408 1.00 0.00 C ATOM 836 CD1 PHE A 51 9.093 -2.481 -15.546 1.00 0.00 C ATOM 837 CD2 PHE A 51 11.082 -2.603 -14.163 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.767 -1.639 -16.439 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.754 -1.760 -15.055 1.00 0.00 C ATOM 840 CZ PHE A 51 11.097 -1.278 -16.193 1.00 0.00 C ATOM 0 H PHE A 51 6.555 -3.986 -13.986 1.00 0.00 H new ATOM 0 HA PHE A 51 8.790 -5.015 -15.233 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.252 -3.316 -12.916 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.718 -4.248 -12.691 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.066 -2.758 -15.735 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.590 -2.975 -13.285 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.261 -1.268 -17.318 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.780 -1.481 -14.865 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.616 -0.628 -16.881 1.00 0.00 H new ATOM 850 N PRO A 52 8.479 -6.539 -12.299 1.00 0.00 N ATOM 851 CA PRO A 52 8.777 -7.793 -11.590 1.00 0.00 C ATOM 852 C PRO A 52 7.704 -8.836 -11.921 1.00 0.00 C ATOM 853 O PRO A 52 7.817 -9.992 -11.565 1.00 0.00 O ATOM 854 CB PRO A 52 8.702 -7.404 -10.114 1.00 0.00 C ATOM 855 CG PRO A 52 7.815 -6.141 -10.044 1.00 0.00 C ATOM 856 CD PRO A 52 7.828 -5.512 -11.453 1.00 0.00 C ATOM 0 HA PRO A 52 9.740 -8.225 -11.861 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.276 -8.212 -9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.696 -7.204 -9.713 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.799 -6.398 -9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.198 -5.439 -9.303 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.819 -5.290 -11.800 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.383 -4.574 -11.466 1.00 0.00 H new ATOM 864 N ARG A 53 6.657 -8.427 -12.588 1.00 0.00 N ATOM 865 CA ARG A 53 5.569 -9.387 -12.928 1.00 0.00 C ATOM 866 C ARG A 53 5.117 -10.085 -11.646 1.00 0.00 C ATOM 867 O ARG A 53 5.070 -11.297 -11.568 1.00 0.00 O ATOM 868 CB ARG A 53 6.094 -10.424 -13.922 1.00 0.00 C ATOM 869 CG ARG A 53 5.587 -10.088 -15.327 1.00 0.00 C ATOM 870 CD ARG A 53 6.746 -10.176 -16.323 1.00 0.00 C ATOM 871 NE ARG A 53 6.312 -9.629 -17.640 1.00 0.00 N ATOM 872 CZ ARG A 53 6.883 -8.561 -18.124 1.00 0.00 C ATOM 873 NH1 ARG A 53 8.160 -8.363 -17.939 1.00 0.00 N ATOM 874 NH2 ARG A 53 6.178 -7.689 -18.792 1.00 0.00 N ATOM 0 H ARG A 53 6.509 -7.471 -12.911 1.00 0.00 H new ATOM 0 HA ARG A 53 4.730 -8.857 -13.378 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.184 -10.435 -13.910 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.762 -11.421 -13.633 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.794 -10.779 -15.614 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.157 -9.086 -15.340 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.604 -9.616 -15.950 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.066 -11.212 -16.435 1.00 0.00 H new ATOM 0 HE ARG A 53 5.568 -10.090 -18.163 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.711 -9.044 -17.416 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.607 -7.528 -18.318 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.180 -7.843 -18.936 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.625 -6.854 -19.170 1.00 0.00 H new ATOM 888 N ARG A 54 4.798 -9.325 -10.631 1.00 0.00 N ATOM 889 CA ARG A 54 4.364 -9.947 -9.346 1.00 0.00 C ATOM 890 C ARG A 54 3.136 -9.219 -8.792 1.00 0.00 C ATOM 891 O ARG A 54 2.778 -8.149 -9.241 1.00 0.00 O ATOM 892 CB ARG A 54 5.508 -9.861 -8.335 1.00 0.00 C ATOM 893 CG ARG A 54 5.654 -8.419 -7.846 1.00 0.00 C ATOM 894 CD ARG A 54 6.961 -8.276 -7.064 1.00 0.00 C ATOM 895 NE ARG A 54 6.902 -9.125 -5.841 1.00 0.00 N ATOM 896 CZ ARG A 54 7.214 -10.391 -5.907 1.00 0.00 C ATOM 897 NH1 ARG A 54 6.315 -11.299 -5.639 1.00 0.00 N ATOM 898 NH2 ARG A 54 8.425 -10.749 -6.237 1.00 0.00 N ATOM 0 H ARG A 54 4.819 -8.305 -10.636 1.00 0.00 H new ATOM 0 HA ARG A 54 4.103 -10.990 -9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.312 -10.523 -7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.438 -10.196 -8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.648 -7.734 -8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.808 -8.151 -7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.805 -8.574 -7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.121 -7.233 -6.789 1.00 0.00 H new ATOM 0 HE ARG A 54 6.617 -8.716 -4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.369 -11.019 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.558 -12.288 -5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.128 -10.040 -6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.668 -11.738 -6.288 1.00 0.00 H new ATOM 912 N ASP A 55 2.493 -9.795 -7.810 1.00 0.00 N ATOM 913 CA ASP A 55 1.290 -9.146 -7.217 1.00 0.00 C ATOM 914 C ASP A 55 1.659 -7.754 -6.695 1.00 0.00 C ATOM 915 O ASP A 55 2.305 -7.615 -5.679 1.00 0.00 O ATOM 916 CB ASP A 55 0.767 -10.004 -6.062 1.00 0.00 C ATOM 917 CG ASP A 55 -0.741 -9.790 -5.912 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.250 -8.857 -6.510 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.361 -10.564 -5.202 1.00 0.00 O ATOM 0 H ASP A 55 2.751 -10.689 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 55 0.517 -9.051 -7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.979 -11.056 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.277 -9.737 -5.136 1.00 0.00 H new ATOM 924 N VAL A 56 1.239 -6.733 -7.399 1.00 0.00 N ATOM 925 CA VAL A 56 1.530 -5.320 -7.004 1.00 0.00 C ATOM 926 C VAL A 56 2.853 -5.210 -6.249 1.00 0.00 C ATOM 927 O VAL A 56 2.951 -5.501 -5.083 1.00 0.00 O ATOM 928 CB VAL A 56 0.375 -4.753 -6.169 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.472 -5.229 -4.723 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.429 -3.223 -6.216 1.00 0.00 C ATOM 0 H VAL A 56 0.691 -6.823 -8.255 1.00 0.00 H new ATOM 0 HA VAL A 56 1.626 -4.729 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.570 -5.105 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.356 -4.816 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.426 -6.318 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.416 -4.894 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.389 -2.812 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.380 -2.880 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.335 -2.887 -7.249 1.00 0.00 H new ATOM 940 N THR A 57 3.856 -4.760 -6.948 1.00 0.00 N ATOM 941 CA THR A 57 5.229 -4.568 -6.378 1.00 0.00 C ATOM 942 C THR A 57 5.363 -5.043 -4.920 1.00 0.00 C ATOM 943 O THR A 57 5.329 -4.258 -3.997 1.00 0.00 O ATOM 944 CB THR A 57 5.597 -3.082 -6.461 1.00 0.00 C ATOM 945 OG1 THR A 57 6.439 -2.748 -5.372 1.00 0.00 O ATOM 946 CG2 THR A 57 4.325 -2.224 -6.418 1.00 0.00 C ATOM 0 H THR A 57 3.781 -4.506 -7.933 1.00 0.00 H new ATOM 0 HA THR A 57 5.908 -5.182 -6.969 1.00 0.00 H new ATOM 0 HB THR A 57 6.119 -2.890 -7.398 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.304 -2.436 -5.711 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.595 -1.170 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.683 -2.482 -7.260 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.792 -2.410 -5.486 1.00 0.00 H new ATOM 954 N GLN A 58 5.567 -6.318 -4.724 1.00 0.00 N ATOM 955 CA GLN A 58 5.781 -6.864 -3.338 1.00 0.00 C ATOM 956 C GLN A 58 4.474 -7.034 -2.550 1.00 0.00 C ATOM 957 O GLN A 58 4.456 -7.686 -1.525 1.00 0.00 O ATOM 958 CB GLN A 58 6.720 -5.934 -2.566 1.00 0.00 C ATOM 959 CG GLN A 58 7.960 -6.716 -2.128 1.00 0.00 C ATOM 960 CD GLN A 58 8.266 -6.408 -0.661 1.00 0.00 C ATOM 961 OE1 GLN A 58 7.367 -6.311 0.151 1.00 0.00 O ATOM 962 NE2 GLN A 58 9.505 -6.250 -0.286 1.00 0.00 N ATOM 0 H GLN A 58 5.596 -7.016 -5.467 1.00 0.00 H new ATOM 0 HA GLN A 58 6.219 -7.856 -3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.011 -5.090 -3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.209 -5.523 -1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.794 -7.785 -2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.812 -6.447 -2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.259 -6.332 -0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.720 -6.045 0.690 1.00 0.00 H new ATOM 971 N LEU A 59 3.391 -6.470 -2.995 1.00 0.00 N ATOM 972 CA LEU A 59 2.110 -6.631 -2.244 1.00 0.00 C ATOM 973 C LEU A 59 2.188 -5.898 -0.905 1.00 0.00 C ATOM 974 O LEU A 59 3.084 -5.114 -0.665 1.00 0.00 O ATOM 975 CB LEU A 59 1.846 -8.118 -1.991 1.00 0.00 C ATOM 976 CG LEU A 59 0.784 -8.617 -2.965 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.733 -10.145 -2.919 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.580 -8.049 -2.570 1.00 0.00 C ATOM 0 H LEU A 59 3.332 -5.906 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 59 1.299 -6.208 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.766 -8.688 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.514 -8.270 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 59 1.033 -8.290 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.025 -10.505 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.705 -10.550 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.483 -10.470 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.338 -8.406 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.832 -8.375 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.543 -6.960 -2.601 1.00 0.00 H new ATOM 990 N ASP A 60 1.245 -6.147 -0.035 1.00 0.00 N ATOM 991 CA ASP A 60 1.244 -5.470 1.292 1.00 0.00 C ATOM 992 C ASP A 60 0.713 -4.041 1.133 1.00 0.00 C ATOM 993 O ASP A 60 1.471 -3.122 0.890 1.00 0.00 O ATOM 994 CB ASP A 60 2.668 -5.431 1.853 1.00 0.00 C ATOM 995 CG ASP A 60 3.350 -6.778 1.609 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.953 -7.743 2.242 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.257 -6.823 0.795 1.00 0.00 O ATOM 0 H ASP A 60 0.472 -6.794 -0.189 1.00 0.00 H new ATOM 0 HA ASP A 60 0.604 -6.022 1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.236 -4.632 1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.644 -5.212 2.920 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.579 -3.898 1.288 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.249 -2.592 1.167 1.00 0.00 C ATOM 1004 C PRO A 61 -0.888 -1.710 2.356 1.00 0.00 C ATOM 1005 O PRO A 61 -1.125 -0.521 2.361 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.740 -2.946 1.157 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.858 -4.344 1.805 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.485 -5.018 1.626 1.00 0.00 C ATOM 0 HA PRO A 61 -0.957 -2.032 0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.318 -2.209 1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.131 -2.955 0.139 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.117 -4.263 2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.644 -4.929 1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.168 -5.527 2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.508 -5.766 0.834 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.290 -2.291 3.349 1.00 0.00 N ATOM 1017 CA ASN A 62 0.115 -1.505 4.543 1.00 0.00 C ATOM 1018 C ASN A 62 1.617 -1.239 4.475 1.00 0.00 C ATOM 1019 O ASN A 62 2.207 -0.709 5.395 1.00 0.00 O ATOM 1020 CB ASN A 62 -0.210 -2.295 5.811 1.00 0.00 C ATOM 1021 CG ASN A 62 -1.655 -2.016 6.230 1.00 0.00 C ATOM 1022 OD1 ASN A 62 -2.583 -2.431 5.564 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -1.886 -1.325 7.312 1.00 0.00 N ATOM 0 H ASN A 62 -0.061 -3.284 3.388 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.426 -0.559 4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.071 -3.361 5.633 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.473 -2.014 6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.846 -1.133 7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.107 -0.977 7.871 1.00 0.00 H new ATOM 1030 N LYS A 63 2.244 -1.607 3.389 1.00 0.00 N ATOM 1031 CA LYS A 63 3.705 -1.376 3.261 1.00 0.00 C ATOM 1032 C LYS A 63 3.949 -0.008 2.628 1.00 0.00 C ATOM 1033 O LYS A 63 3.090 0.547 1.969 1.00 0.00 O ATOM 1034 CB LYS A 63 4.320 -2.463 2.377 1.00 0.00 C ATOM 1035 CG LYS A 63 4.857 -3.590 3.260 1.00 0.00 C ATOM 1036 CD LYS A 63 5.845 -4.443 2.461 1.00 0.00 C ATOM 1037 CE LYS A 63 6.654 -5.317 3.421 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.973 -5.639 2.809 1.00 0.00 N ATOM 0 H LYS A 63 1.804 -2.058 2.587 1.00 0.00 H new ATOM 0 HA LYS A 63 4.165 -1.409 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.572 -2.852 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.125 -2.044 1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.349 -3.174 4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.034 -4.208 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.308 -5.068 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.513 -3.802 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.798 -4.798 4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.109 -6.235 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.400 -6.446 3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.840 -5.883 1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.601 -4.814 2.884 1.00 0.00 H new ATOM 1052 N SER A 64 5.119 0.534 2.812 1.00 0.00 N ATOM 1053 CA SER A 64 5.424 1.858 2.211 1.00 0.00 C ATOM 1054 C SER A 64 6.002 1.603 0.826 1.00 0.00 C ATOM 1055 O SER A 64 6.245 0.473 0.458 1.00 0.00 O ATOM 1056 CB SER A 64 6.447 2.598 3.075 1.00 0.00 C ATOM 1057 OG SER A 64 7.747 2.088 2.808 1.00 0.00 O ATOM 0 H SER A 64 5.876 0.117 3.353 1.00 0.00 H new ATOM 0 HA SER A 64 4.525 2.471 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.413 3.667 2.863 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.205 2.474 4.131 1.00 0.00 H new ATOM 0 HG SER A 64 8.302 2.169 3.612 1.00 0.00 H new ATOM 1063 N LEU A 65 6.198 2.617 0.034 1.00 0.00 N ATOM 1064 CA LEU A 65 6.722 2.366 -1.333 1.00 0.00 C ATOM 1065 C LEU A 65 8.196 1.984 -1.269 1.00 0.00 C ATOM 1066 O LEU A 65 8.613 1.049 -1.906 1.00 0.00 O ATOM 1067 CB LEU A 65 6.545 3.610 -2.190 1.00 0.00 C ATOM 1068 CG LEU A 65 5.096 3.674 -2.670 1.00 0.00 C ATOM 1069 CD1 LEU A 65 4.892 4.932 -3.494 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.778 2.459 -3.542 1.00 0.00 C ATOM 0 H LEU A 65 6.021 3.594 0.269 1.00 0.00 H new ATOM 0 HA LEU A 65 6.165 1.542 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.792 4.503 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.224 3.581 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 65 4.437 3.682 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.858 4.979 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.111 5.807 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.560 4.915 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.743 2.514 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.441 2.448 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.923 1.547 -2.962 1.00 0.00 H new ATOM 1082 N LEU A 66 8.992 2.679 -0.511 1.00 0.00 N ATOM 1083 CA LEU A 66 10.434 2.304 -0.445 1.00 0.00 C ATOM 1084 C LEU A 66 10.556 0.798 -0.198 1.00 0.00 C ATOM 1085 O LEU A 66 11.320 0.115 -0.850 1.00 0.00 O ATOM 1086 CB LEU A 66 11.117 3.055 0.712 1.00 0.00 C ATOM 1087 CG LEU A 66 11.833 4.350 0.254 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.713 4.577 -1.258 1.00 0.00 C ATOM 1089 CD2 LEU A 66 11.217 5.542 0.989 1.00 0.00 C ATOM 0 H LEU A 66 8.716 3.479 0.059 1.00 0.00 H new ATOM 0 HA LEU A 66 10.915 2.569 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.371 3.306 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.842 2.395 1.189 1.00 0.00 H new ATOM 0 HG LEU A 66 12.892 4.248 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.231 5.497 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.162 3.737 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.661 4.658 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.714 6.460 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.155 5.605 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.343 5.411 2.064 1.00 0.00 H new ATOM 1101 N GLU A 67 9.809 0.272 0.732 1.00 0.00 N ATOM 1102 CA GLU A 67 9.902 -1.196 1.008 1.00 0.00 C ATOM 1103 C GLU A 67 9.524 -1.965 -0.255 1.00 0.00 C ATOM 1104 O GLU A 67 10.078 -3.006 -0.546 1.00 0.00 O ATOM 1105 CB GLU A 67 8.958 -1.619 2.146 1.00 0.00 C ATOM 1106 CG GLU A 67 8.384 -0.397 2.860 1.00 0.00 C ATOM 1107 CD GLU A 67 7.774 -0.824 4.196 1.00 0.00 C ATOM 1108 OE1 GLU A 67 8.450 -1.516 4.940 1.00 0.00 O ATOM 1109 OE2 GLU A 67 6.640 -0.452 4.452 1.00 0.00 O ATOM 0 H GLU A 67 9.143 0.785 1.310 1.00 0.00 H new ATOM 0 HA GLU A 67 10.925 -1.420 1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.146 -2.225 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.498 -2.242 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.168 0.342 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.626 0.078 2.237 1.00 0.00 H new ATOM 1116 N VAL A 68 8.590 -1.463 -1.012 1.00 0.00 N ATOM 1117 CA VAL A 68 8.195 -2.180 -2.258 1.00 0.00 C ATOM 1118 C VAL A 68 8.873 -1.521 -3.469 1.00 0.00 C ATOM 1119 O VAL A 68 8.656 -1.912 -4.598 1.00 0.00 O ATOM 1120 CB VAL A 68 6.673 -2.151 -2.415 1.00 0.00 C ATOM 1121 CG1 VAL A 68 6.027 -2.924 -1.264 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.166 -0.712 -2.393 1.00 0.00 C ATOM 0 H VAL A 68 8.086 -0.596 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 68 8.518 -3.219 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 68 6.410 -2.610 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.943 -2.904 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.374 -3.957 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.303 -2.463 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.082 -0.706 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.435 -0.246 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.619 -0.154 -3.213 1.00 0.00 H new ATOM 1132 N LYS A 69 9.701 -0.533 -3.220 1.00 0.00 N ATOM 1133 CA LYS A 69 10.441 0.191 -4.301 1.00 0.00 C ATOM 1134 C LYS A 69 9.797 0.022 -5.686 1.00 0.00 C ATOM 1135 O LYS A 69 10.202 -0.801 -6.477 1.00 0.00 O ATOM 1136 CB LYS A 69 11.901 -0.301 -4.331 1.00 0.00 C ATOM 1137 CG LYS A 69 11.985 -1.797 -4.691 1.00 0.00 C ATOM 1138 CD LYS A 69 11.604 -2.661 -3.489 1.00 0.00 C ATOM 1139 CE LYS A 69 10.617 -3.743 -3.942 1.00 0.00 C ATOM 1140 NZ LYS A 69 11.364 -4.993 -4.259 1.00 0.00 N ATOM 0 H LYS A 69 9.899 -0.189 -2.280 1.00 0.00 H new ATOM 0 HA LYS A 69 10.401 1.255 -4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.468 0.282 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.363 -0.133 -3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.320 -2.013 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.996 -2.042 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.494 -3.120 -3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.155 -2.045 -2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.884 -3.933 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.065 -3.404 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.696 -5.728 -4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.047 -4.806 -5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.871 -5.319 -3.411 1.00 0.00 H new ATOM 1207 N GLN A 73 10.080 4.426 -12.525 1.00 0.00 N ATOM 1208 CA GLN A 73 8.970 4.364 -13.514 1.00 0.00 C ATOM 1209 C GLN A 73 8.491 2.915 -13.613 1.00 0.00 C ATOM 1210 O GLN A 73 9.202 2.052 -14.087 1.00 0.00 O ATOM 1211 CB GLN A 73 9.473 4.836 -14.879 1.00 0.00 C ATOM 1212 CG GLN A 73 10.514 5.940 -14.683 1.00 0.00 C ATOM 1213 CD GLN A 73 11.112 6.323 -16.038 1.00 0.00 C ATOM 1214 OE1 GLN A 73 10.454 6.223 -17.055 1.00 0.00 O ATOM 1215 NE2 GLN A 73 12.340 6.760 -16.095 1.00 0.00 N ATOM 0 HA GLN A 73 8.149 5.008 -13.199 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.911 4.001 -15.426 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.641 5.208 -15.477 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.053 6.811 -14.218 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.300 5.598 -14.010 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.892 6.844 -15.241 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.748 7.018 -16.993 1.00 0.00 H new ATOM 1224 N GLU A 74 7.301 2.632 -13.158 1.00 0.00 N ATOM 1225 CA GLU A 74 6.808 1.227 -13.222 1.00 0.00 C ATOM 1226 C GLU A 74 5.343 1.203 -13.672 1.00 0.00 C ATOM 1227 O GLU A 74 4.578 2.098 -13.381 1.00 0.00 O ATOM 1228 CB GLU A 74 6.934 0.584 -11.836 1.00 0.00 C ATOM 1229 CG GLU A 74 8.410 0.464 -11.461 1.00 0.00 C ATOM 1230 CD GLU A 74 9.090 -0.553 -12.379 1.00 0.00 C ATOM 1231 OE1 GLU A 74 8.385 -1.214 -13.122 1.00 0.00 O ATOM 1232 OE2 GLU A 74 10.304 -0.656 -12.321 1.00 0.00 O ATOM 0 H GLU A 74 6.654 3.306 -12.748 1.00 0.00 H new ATOM 0 HA GLU A 74 7.406 0.668 -13.942 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.408 1.186 -11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.467 -0.401 -11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.899 1.434 -11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.508 0.153 -10.421 1.00 0.00 H new ATOM 1239 N THR A 75 4.948 0.179 -14.383 1.00 0.00 N ATOM 1240 CA THR A 75 3.535 0.096 -14.850 1.00 0.00 C ATOM 1241 C THR A 75 2.833 -1.062 -14.139 1.00 0.00 C ATOM 1242 O THR A 75 3.367 -2.147 -14.021 1.00 0.00 O ATOM 1243 CB THR A 75 3.500 -0.139 -16.363 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.061 0.983 -17.028 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.050 -0.332 -16.816 1.00 0.00 C ATOM 0 H THR A 75 5.543 -0.602 -14.659 1.00 0.00 H new ATOM 0 HA THR A 75 3.025 1.032 -14.621 1.00 0.00 H new ATOM 0 HB THR A 75 4.077 -1.031 -16.607 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.041 0.833 -17.996 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.024 -0.499 -17.893 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.621 -1.194 -16.305 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.471 0.559 -16.573 1.00 0.00 H new ATOM 1253 N LEU A 76 1.642 -0.839 -13.658 1.00 0.00 N ATOM 1254 CA LEU A 76 0.906 -1.924 -12.947 1.00 0.00 C ATOM 1255 C LEU A 76 -0.367 -2.278 -13.718 1.00 0.00 C ATOM 1256 O LEU A 76 -0.814 -1.532 -14.560 1.00 0.00 O ATOM 1257 CB LEU A 76 0.530 -1.447 -11.547 1.00 0.00 C ATOM 1258 CG LEU A 76 1.424 -2.132 -10.516 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.828 -1.124 -9.441 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.647 -3.276 -9.870 1.00 0.00 C ATOM 0 H LEU A 76 1.145 0.049 -13.726 1.00 0.00 H new ATOM 0 HA LEU A 76 1.544 -2.805 -12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.641 -0.365 -11.478 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.517 -1.673 -11.343 1.00 0.00 H new ATOM 0 HG LEU A 76 2.319 -2.519 -11.003 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.466 -1.613 -8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.372 -0.299 -9.902 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.935 -0.740 -8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.277 -3.772 -9.132 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.243 -2.881 -9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.352 -3.993 -10.636 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.960 -3.407 -13.435 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.212 -3.794 -14.152 1.00 0.00 C ATOM 1274 C PHE A 77 -3.338 -3.998 -13.131 1.00 0.00 C ATOM 1275 O PHE A 77 -3.106 -4.427 -12.020 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.981 -5.096 -14.926 1.00 0.00 C ATOM 1277 CG PHE A 77 -0.984 -4.872 -16.043 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.849 -3.608 -16.635 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.195 -5.938 -16.492 1.00 0.00 C ATOM 1280 CE1 PHE A 77 0.072 -3.414 -17.671 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.726 -5.743 -17.528 1.00 0.00 C ATOM 1282 CZ PHE A 77 0.860 -4.482 -18.117 1.00 0.00 C ATOM 0 H PHE A 77 -0.633 -4.078 -12.740 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.490 -3.005 -14.851 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.613 -5.869 -14.251 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.924 -5.455 -15.338 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.456 -2.784 -16.291 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.297 -6.913 -16.038 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.175 -2.440 -18.127 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.333 -6.567 -17.872 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.571 -4.332 -18.916 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.558 -3.696 -13.493 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.682 -3.879 -12.528 1.00 0.00 C ATOM 1294 C LEU A 78 -6.176 -5.328 -12.595 1.00 0.00 C ATOM 1295 O LEU A 78 -6.462 -5.849 -13.654 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.832 -2.933 -12.891 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.391 -2.277 -11.622 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.301 -0.760 -11.742 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.860 -2.658 -11.441 1.00 0.00 C ATOM 0 H LEU A 78 -4.823 -3.333 -14.409 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.334 -3.655 -11.520 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.480 -2.167 -13.582 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.620 -3.485 -13.403 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.808 -2.622 -10.768 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.699 -0.299 -10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.259 -0.466 -11.870 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.880 -0.428 -12.604 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.249 -2.188 -10.538 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.433 -2.317 -12.303 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.947 -3.741 -11.353 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.280 -5.979 -11.467 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.760 -7.390 -11.458 1.00 0.00 C ATOM 1313 C GLU A 79 -7.685 -7.586 -10.258 1.00 0.00 C ATOM 1314 O GLU A 79 -7.313 -7.326 -9.130 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.563 -8.337 -11.342 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.749 -9.513 -12.302 1.00 0.00 C ATOM 1317 CD GLU A 79 -5.139 -9.163 -13.660 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -3.963 -8.840 -13.693 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -5.857 -9.224 -14.644 1.00 0.00 O ATOM 0 H GLU A 79 -6.053 -5.593 -10.551 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.298 -7.606 -12.381 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.641 -7.805 -11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.471 -8.700 -10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.273 -10.406 -11.897 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.809 -9.740 -12.415 1.00 0.00 H new