USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -6.59! C(o=-6.6!,f=-6.8!) USER MOD Single : A 30 CYS SG : rot 180:sc= -3.81! USER MOD Single : A 33 SER OG : rot 3:sc= 0.411! USER MOD Single : A 40 HIS : no HE2:sc= -0.0112 X(o=-0.011,f=-0.067) USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= 2.4 (180deg=2.08) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -77:sc= 0.146 USER MOD Single : A 52 GLN : amide:sc= -0.473 K(o=-0.47,f=-4!) USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0.605 (180deg=0.58) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 62 MET CE :methyl -135:sc= -0.655 (180deg=-1.77) USER MOD Single : A 64 MET CE :methyl 165:sc= -0.0592 (180deg=-0.442) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -124:sc= -0.0503 (180deg=-1.11) USER MOD Single : A 78 TYR OH : rot 17:sc= -1.45 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= -1.64 USER MOD Single : A 85 SER OG : rot 140:sc=4.44e-05 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -90:sc= 0.415 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.003) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 4.799 19.920 -1.708 1.00 0.00 N ATOM 81 CA ALA A 9 5.035 18.482 -1.694 1.00 0.00 C ATOM 82 C ALA A 9 3.750 17.711 -1.975 1.00 0.00 C ATOM 83 O ALA A 9 3.619 16.546 -1.602 1.00 0.00 O ATOM 84 CB ALA A 9 5.625 18.057 -0.357 1.00 0.00 C ATOM 0 HA ALA A 9 5.748 18.249 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.796 16.981 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.571 18.574 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.931 18.311 0.444 1.00 0.00 H new ATOM 90 N ALA A 10 2.803 18.370 -2.635 1.00 0.00 N ATOM 91 CA ALA A 10 1.528 17.746 -2.968 1.00 0.00 C ATOM 92 C ALA A 10 1.735 16.485 -3.800 1.00 0.00 C ATOM 93 O ALA A 10 2.828 16.239 -4.310 1.00 0.00 O ATOM 94 CB ALA A 10 0.637 18.730 -3.710 1.00 0.00 C ATOM 0 H ALA A 10 2.895 19.336 -2.950 1.00 0.00 H new ATOM 0 HA ALA A 10 1.038 17.459 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.311 18.251 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.453 19.601 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.130 19.045 -4.630 1.00 0.00 H new ATOM 100 N ILE A 11 0.679 15.689 -3.932 1.00 0.00 N ATOM 101 CA ILE A 11 0.746 14.454 -4.702 1.00 0.00 C ATOM 102 C ILE A 11 0.260 14.670 -6.131 1.00 0.00 C ATOM 103 O ILE A 11 -0.894 15.036 -6.356 1.00 0.00 O ATOM 104 CB ILE A 11 -0.092 13.338 -4.050 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.390 13.077 -2.622 1.00 0.00 C ATOM 106 CG2 ILE A 11 -0.016 12.065 -4.881 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.553 12.212 -1.815 1.00 0.00 C ATOM 0 H ILE A 11 -0.233 15.878 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 11 1.792 14.149 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.132 13.661 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.368 12.597 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.522 14.031 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.613 11.285 -4.408 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.402 12.260 -5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.021 11.737 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.148 12.068 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.525 12.700 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.666 11.244 -2.303 1.00 0.00 H new ATOM 119 N ILE A 12 1.146 14.440 -7.093 1.00 0.00 N ATOM 120 CA ILE A 12 0.806 14.607 -8.501 1.00 0.00 C ATOM 121 C ILE A 12 0.353 13.288 -9.117 1.00 0.00 C ATOM 122 O ILE A 12 -0.541 13.260 -9.964 1.00 0.00 O ATOM 123 CB ILE A 12 1.999 15.154 -9.307 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.317 14.648 -8.717 1.00 0.00 C ATOM 125 CG2 ILE A 12 1.972 16.675 -9.328 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.844 15.507 -7.589 1.00 0.00 C ATOM 0 H ILE A 12 2.105 14.137 -6.924 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.012 15.326 -8.545 1.00 0.00 H new ATOM 0 HB ILE A 12 1.920 14.794 -10.333 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.175 13.631 -8.352 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.066 14.602 -9.508 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.821 17.046 -9.901 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.046 17.016 -9.790 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.030 17.054 -8.308 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.780 15.088 -7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.018 16.519 -7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.114 15.533 -6.780 1.00 0.00 H new ATOM 138 N LYS A 13 0.973 12.195 -8.685 1.00 0.00 N ATOM 139 CA LYS A 13 0.632 10.871 -9.191 1.00 0.00 C ATOM 140 C LYS A 13 -0.151 10.076 -8.151 1.00 0.00 C ATOM 141 O LYS A 13 0.417 9.448 -7.257 1.00 0.00 O ATOM 142 CB LYS A 13 1.900 10.109 -9.581 1.00 0.00 C ATOM 143 CG LYS A 13 2.626 10.707 -10.774 1.00 0.00 C ATOM 144 CD LYS A 13 3.776 9.823 -11.228 1.00 0.00 C ATOM 145 CE LYS A 13 4.456 10.386 -12.466 1.00 0.00 C ATOM 146 NZ LYS A 13 5.660 9.596 -12.845 1.00 0.00 N ATOM 0 H LYS A 13 1.715 12.200 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 13 0.005 10.998 -10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.578 10.087 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.638 9.075 -9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.924 10.844 -11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.006 11.694 -10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.504 9.729 -10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.404 8.821 -11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.750 10.393 -13.297 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.744 11.421 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.095 10.012 -13.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.345 9.610 -12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.382 8.614 -13.044 1.00 0.00 H new ATOM 160 N PRO A 14 -1.487 10.102 -8.268 1.00 0.00 N ATOM 161 CA PRO A 14 -2.376 9.387 -7.347 1.00 0.00 C ATOM 162 C PRO A 14 -2.292 7.874 -7.517 1.00 0.00 C ATOM 163 O PRO A 14 -1.895 7.379 -8.573 1.00 0.00 O ATOM 164 CB PRO A 14 -3.768 9.892 -7.734 1.00 0.00 C ATOM 165 CG PRO A 14 -3.636 10.312 -9.158 1.00 0.00 C ATOM 166 CD PRO A 14 -2.233 10.830 -9.308 1.00 0.00 C ATOM 0 HA PRO A 14 -2.115 9.570 -6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.519 9.110 -7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.077 10.725 -7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.816 9.473 -9.831 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.365 11.083 -9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.835 10.629 -10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.185 11.908 -9.157 1.00 0.00 H new ATOM 174 N LEU A 15 -2.668 7.144 -6.473 1.00 0.00 N ATOM 175 CA LEU A 15 -2.636 5.686 -6.508 1.00 0.00 C ATOM 176 C LEU A 15 -3.661 5.142 -7.497 1.00 0.00 C ATOM 177 O LEU A 15 -4.339 5.904 -8.185 1.00 0.00 O ATOM 178 CB LEU A 15 -2.905 5.117 -5.113 1.00 0.00 C ATOM 179 CG LEU A 15 -2.161 5.790 -3.959 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.925 5.614 -2.656 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.752 5.228 -3.833 1.00 0.00 C ATOM 0 H LEU A 15 -2.999 7.538 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.643 5.377 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.975 5.182 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.646 4.058 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.088 6.856 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.380 6.099 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.913 6.065 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.030 4.552 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.237 5.718 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.804 4.156 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.205 5.407 -4.759 1.00 0.00 H new ATOM 193 N GLU A 16 -3.770 3.818 -7.562 1.00 0.00 N ATOM 194 CA GLU A 16 -4.714 3.173 -8.467 1.00 0.00 C ATOM 195 C GLU A 16 -5.220 1.859 -7.878 1.00 0.00 C ATOM 196 O GLU A 16 -4.662 1.345 -6.908 1.00 0.00 O ATOM 197 CB GLU A 16 -4.058 2.916 -9.825 1.00 0.00 C ATOM 198 CG GLU A 16 -3.534 4.175 -10.496 1.00 0.00 C ATOM 199 CD GLU A 16 -2.622 3.874 -11.669 1.00 0.00 C ATOM 200 OE1 GLU A 16 -1.433 3.575 -11.435 1.00 0.00 O ATOM 201 OE2 GLU A 16 -3.097 3.939 -12.822 1.00 0.00 O ATOM 0 H GLU A 16 -3.217 3.172 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.564 3.842 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.234 2.214 -9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.782 2.438 -10.484 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.376 4.776 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.992 4.774 -9.764 1.00 0.00 H new ATOM 208 N ASP A 17 -6.281 1.323 -8.471 1.00 0.00 N ATOM 209 CA ASP A 17 -6.864 0.069 -8.007 1.00 0.00 C ATOM 210 C ASP A 17 -5.934 -1.104 -8.301 1.00 0.00 C ATOM 211 O ASP A 17 -5.577 -1.351 -9.453 1.00 0.00 O ATOM 212 CB ASP A 17 -8.223 -0.162 -8.668 1.00 0.00 C ATOM 213 CG ASP A 17 -8.197 0.117 -10.158 1.00 0.00 C ATOM 214 OD1 ASP A 17 -7.097 0.079 -10.749 1.00 0.00 O ATOM 215 OD2 ASP A 17 -9.275 0.374 -10.733 1.00 0.00 O ATOM 0 H ASP A 17 -6.755 1.737 -9.274 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.002 0.138 -6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.535 -1.193 -8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.968 0.478 -8.194 1.00 0.00 H new ATOM 220 N GLN A 18 -5.546 -1.823 -7.253 1.00 0.00 N ATOM 221 CA GLN A 18 -4.657 -2.969 -7.400 1.00 0.00 C ATOM 222 C GLN A 18 -5.432 -4.278 -7.284 1.00 0.00 C ATOM 223 O GLN A 18 -6.361 -4.391 -6.485 1.00 0.00 O ATOM 224 CB GLN A 18 -3.551 -2.922 -6.344 1.00 0.00 C ATOM 225 CG GLN A 18 -2.315 -2.158 -6.791 1.00 0.00 C ATOM 226 CD GLN A 18 -2.656 -0.876 -7.526 1.00 0.00 C ATOM 227 OE1 GLN A 18 -3.124 -0.905 -8.664 1.00 0.00 O ATOM 228 NE2 GLN A 18 -2.423 0.259 -6.876 1.00 0.00 N ATOM 0 H GLN A 18 -5.833 -1.632 -6.293 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.206 -2.922 -8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.945 -2.461 -5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.264 -3.941 -6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -1.704 -1.922 -5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.713 -2.795 -7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.034 0.236 -5.933 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.633 1.153 -7.320 1.00 0.00 H new ATOM 237 N TRP A 19 -5.043 -5.262 -8.086 1.00 0.00 N ATOM 238 CA TRP A 19 -5.702 -6.564 -8.073 1.00 0.00 C ATOM 239 C TRP A 19 -4.703 -7.676 -7.774 1.00 0.00 C ATOM 240 O TRP A 19 -3.881 -8.029 -8.619 1.00 0.00 O ATOM 241 CB TRP A 19 -6.388 -6.824 -9.415 1.00 0.00 C ATOM 242 CG TRP A 19 -7.720 -6.149 -9.542 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.912 -6.588 -9.041 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.995 -4.916 -10.215 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.912 -5.702 -9.363 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.375 -4.667 -10.081 1.00 0.00 C ATOM 247 CE3 TRP A 19 -7.209 -3.996 -10.915 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.983 -3.538 -10.624 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.815 -2.876 -11.453 1.00 0.00 C ATOM 250 CH2 TRP A 19 -9.190 -2.655 -11.304 1.00 0.00 C ATOM 0 H TRP A 19 -4.275 -5.184 -8.753 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.454 -6.556 -7.284 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.737 -6.482 -10.220 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.519 -7.898 -9.546 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.049 -7.498 -8.475 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.895 -5.800 -9.108 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.148 -4.157 -11.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -11.043 -3.366 -10.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.218 -2.159 -11.997 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.633 -1.769 -11.735 1.00 0.00 H new ATOM 261 N VAL A 20 -4.780 -8.226 -6.566 1.00 0.00 N ATOM 262 CA VAL A 20 -3.884 -9.301 -6.156 1.00 0.00 C ATOM 263 C VAL A 20 -4.657 -10.448 -5.517 1.00 0.00 C ATOM 264 O VAL A 20 -5.887 -10.432 -5.472 1.00 0.00 O ATOM 265 CB VAL A 20 -2.821 -8.796 -5.162 1.00 0.00 C ATOM 266 CG1 VAL A 20 -2.098 -7.581 -5.724 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.458 -8.473 -3.819 1.00 0.00 C ATOM 0 H VAL A 20 -5.454 -7.945 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.387 -9.660 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.087 -9.587 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.351 -7.239 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.607 -7.850 -6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.817 -6.783 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.692 -8.118 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.214 -7.699 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.925 -9.370 -3.412 1.00 0.00 H new ATOM 277 N ALA A 21 -3.928 -11.443 -5.022 1.00 0.00 N ATOM 278 CA ALA A 21 -4.546 -12.598 -4.383 1.00 0.00 C ATOM 279 C ALA A 21 -4.348 -12.560 -2.871 1.00 0.00 C ATOM 280 O ALA A 21 -3.486 -11.851 -2.352 1.00 0.00 O ATOM 281 CB ALA A 21 -3.977 -13.887 -4.959 1.00 0.00 C ATOM 0 H ALA A 21 -2.909 -11.472 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.617 -12.564 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.447 -14.742 -4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.174 -13.925 -6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.901 -13.919 -4.787 1.00 0.00 H new ATOM 287 N PRO A 22 -5.166 -13.338 -2.147 1.00 0.00 N ATOM 288 CA PRO A 22 -5.100 -13.410 -0.684 1.00 0.00 C ATOM 289 C PRO A 22 -3.838 -14.111 -0.194 1.00 0.00 C ATOM 290 O PRO A 22 -3.846 -15.313 0.069 1.00 0.00 O ATOM 291 CB PRO A 22 -6.342 -14.223 -0.313 1.00 0.00 C ATOM 292 CG PRO A 22 -6.632 -15.045 -1.521 1.00 0.00 C ATOM 293 CD PRO A 22 -6.217 -14.208 -2.700 1.00 0.00 C ATOM 0 HA PRO A 22 -5.070 -12.420 -0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.158 -14.851 0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.181 -13.573 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.080 -15.985 -1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.691 -15.299 -1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.841 -14.823 -3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.051 -13.629 -3.095 1.00 0.00 H new ATOM 301 N GLY A 23 -2.753 -13.352 -0.074 1.00 0.00 N ATOM 302 CA GLY A 23 -1.498 -13.919 0.385 1.00 0.00 C ATOM 303 C GLY A 23 -0.296 -13.287 -0.288 1.00 0.00 C ATOM 304 O GLY A 23 0.846 -13.565 0.077 1.00 0.00 O ATOM 0 H GLY A 23 -2.721 -12.355 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.417 -13.788 1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.496 -14.992 0.193 1.00 0.00 H new ATOM 308 N GLU A 24 -0.553 -12.434 -1.275 1.00 0.00 N ATOM 309 CA GLU A 24 0.519 -11.763 -2.002 1.00 0.00 C ATOM 310 C GLU A 24 0.835 -10.408 -1.377 1.00 0.00 C ATOM 311 O GLU A 24 0.052 -9.878 -0.588 1.00 0.00 O ATOM 312 CB GLU A 24 0.132 -11.581 -3.472 1.00 0.00 C ATOM 313 CG GLU A 24 -0.110 -12.891 -4.204 1.00 0.00 C ATOM 314 CD GLU A 24 1.159 -13.468 -4.801 1.00 0.00 C ATOM 315 OE1 GLU A 24 1.809 -12.767 -5.604 1.00 0.00 O ATOM 316 OE2 GLU A 24 1.503 -14.620 -4.464 1.00 0.00 O ATOM 0 H GLU A 24 -1.493 -12.191 -1.589 1.00 0.00 H new ATOM 0 HA GLU A 24 1.410 -12.388 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.769 -10.971 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.923 -11.030 -3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.544 -13.614 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.840 -12.730 -4.997 1.00 0.00 H new ATOM 323 N ASP A 25 1.987 -9.852 -1.735 1.00 0.00 N ATOM 324 CA ASP A 25 2.408 -8.558 -1.210 1.00 0.00 C ATOM 325 C ASP A 25 1.954 -7.426 -2.126 1.00 0.00 C ATOM 326 O ASP A 25 2.133 -7.489 -3.343 1.00 0.00 O ATOM 327 CB ASP A 25 3.928 -8.520 -1.046 1.00 0.00 C ATOM 328 CG ASP A 25 4.656 -9.015 -2.280 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.685 -8.279 -3.288 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.198 -10.140 -2.238 1.00 0.00 O ATOM 0 H ASP A 25 2.646 -10.277 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 25 1.942 -8.421 -0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.242 -7.499 -0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.214 -9.131 -0.190 1.00 0.00 H new ATOM 335 N VAL A 26 1.364 -6.393 -1.534 1.00 0.00 N ATOM 336 CA VAL A 26 0.884 -5.246 -2.297 1.00 0.00 C ATOM 337 C VAL A 26 1.776 -4.029 -2.079 1.00 0.00 C ATOM 338 O VAL A 26 2.177 -3.736 -0.953 1.00 0.00 O ATOM 339 CB VAL A 26 -0.563 -4.884 -1.915 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.959 -3.549 -2.528 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.520 -5.984 -2.349 1.00 0.00 C ATOM 0 H VAL A 26 1.207 -6.326 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 26 0.914 -5.530 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.621 -4.790 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.985 -3.310 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.291 -2.769 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.885 -3.611 -3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.538 -5.711 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.461 -6.112 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.248 -6.918 -1.858 1.00 0.00 H new ATOM 351 N GLU A 27 2.081 -3.324 -3.164 1.00 0.00 N ATOM 352 CA GLU A 27 2.926 -2.138 -3.090 1.00 0.00 C ATOM 353 C GLU A 27 2.249 -0.945 -3.759 1.00 0.00 C ATOM 354 O GLU A 27 2.054 -0.929 -4.975 1.00 0.00 O ATOM 355 CB GLU A 27 4.279 -2.407 -3.752 1.00 0.00 C ATOM 356 CG GLU A 27 5.026 -3.587 -3.153 1.00 0.00 C ATOM 357 CD GLU A 27 6.260 -3.961 -3.950 1.00 0.00 C ATOM 358 OE1 GLU A 27 7.215 -3.157 -3.980 1.00 0.00 O ATOM 359 OE2 GLU A 27 6.271 -5.060 -4.544 1.00 0.00 O ATOM 0 H GLU A 27 1.756 -3.553 -4.103 1.00 0.00 H new ATOM 0 HA GLU A 27 3.084 -1.901 -2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.124 -2.588 -4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.899 -1.515 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.317 -3.347 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.358 -4.446 -3.100 1.00 0.00 H new ATOM 366 N LEU A 28 1.892 0.051 -2.956 1.00 0.00 N ATOM 367 CA LEU A 28 1.235 1.249 -3.468 1.00 0.00 C ATOM 368 C LEU A 28 2.200 2.431 -3.492 1.00 0.00 C ATOM 369 O LEU A 28 2.425 3.081 -2.471 1.00 0.00 O ATOM 370 CB LEU A 28 0.013 1.590 -2.614 1.00 0.00 C ATOM 371 CG LEU A 28 -1.004 0.465 -2.419 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.736 0.631 -1.096 1.00 0.00 C ATOM 373 CD2 LEU A 28 -1.991 0.433 -3.577 1.00 0.00 C ATOM 0 H LEU A 28 2.046 0.053 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 28 0.911 1.047 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.359 1.914 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.497 2.439 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.469 -0.484 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.456 -0.179 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.018 0.604 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.260 1.587 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.708 -0.374 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.521 1.384 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.452 0.266 -4.510 1.00 0.00 H new ATOM 385 N ARG A 29 2.764 2.705 -4.663 1.00 0.00 N ATOM 386 CA ARG A 29 3.703 3.809 -4.820 1.00 0.00 C ATOM 387 C ARG A 29 2.976 5.086 -5.230 1.00 0.00 C ATOM 388 O ARG A 29 1.829 5.044 -5.677 1.00 0.00 O ATOM 389 CB ARG A 29 4.767 3.458 -5.861 1.00 0.00 C ATOM 390 CG ARG A 29 5.599 2.239 -5.495 1.00 0.00 C ATOM 391 CD ARG A 29 6.668 1.960 -6.539 1.00 0.00 C ATOM 392 NE ARG A 29 6.108 1.361 -7.748 1.00 0.00 N ATOM 393 CZ ARG A 29 6.807 1.160 -8.860 1.00 0.00 C ATOM 394 NH1 ARG A 29 8.085 1.509 -8.916 1.00 0.00 N ATOM 395 NH2 ARG A 29 6.227 0.609 -9.919 1.00 0.00 N ATOM 0 H ARG A 29 2.587 2.177 -5.518 1.00 0.00 H new ATOM 0 HA ARG A 29 4.188 3.980 -3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.280 3.280 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.430 4.313 -5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.069 2.396 -4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.949 1.370 -5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.175 2.890 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.420 1.293 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 29 5.127 1.082 -7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.534 1.933 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.619 1.353 -9.771 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.244 0.340 -9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.764 0.455 -10.772 1.00 0.00 H new ATOM 409 N CYS A 30 3.651 6.220 -5.075 1.00 0.00 N ATOM 410 CA CYS A 30 3.069 7.510 -5.428 1.00 0.00 C ATOM 411 C CYS A 30 4.156 8.511 -5.808 1.00 0.00 C ATOM 412 O CYS A 30 5.337 8.170 -5.857 1.00 0.00 O ATOM 413 CB CYS A 30 2.241 8.056 -4.264 1.00 0.00 C ATOM 414 SG CYS A 30 3.200 8.991 -3.050 1.00 0.00 S ATOM 0 H CYS A 30 4.601 6.272 -4.707 1.00 0.00 H new ATOM 0 HA CYS A 30 2.418 7.363 -6.290 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.454 8.697 -4.661 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.750 7.224 -3.760 1.00 0.00 H new ATOM 0 HG CYS A 30 2.412 9.413 -2.106 1.00 0.00 H new ATOM 420 N GLU A 31 3.747 9.747 -6.078 1.00 0.00 N ATOM 421 CA GLU A 31 4.686 10.796 -6.456 1.00 0.00 C ATOM 422 C GLU A 31 4.349 12.108 -5.752 1.00 0.00 C ATOM 423 O GLU A 31 3.181 12.481 -5.636 1.00 0.00 O ATOM 424 CB GLU A 31 4.674 11.000 -7.972 1.00 0.00 C ATOM 425 CG GLU A 31 5.923 11.682 -8.505 1.00 0.00 C ATOM 426 CD GLU A 31 7.098 10.733 -8.629 1.00 0.00 C ATOM 427 OE1 GLU A 31 7.057 9.652 -8.004 1.00 0.00 O ATOM 428 OE2 GLU A 31 8.059 11.070 -9.351 1.00 0.00 O ATOM 0 H GLU A 31 2.772 10.046 -6.042 1.00 0.00 H new ATOM 0 HA GLU A 31 5.683 10.484 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.563 10.031 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.802 11.595 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.707 12.116 -9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.194 12.505 -7.843 1.00 0.00 H new ATOM 435 N LEU A 32 5.380 12.803 -5.285 1.00 0.00 N ATOM 436 CA LEU A 32 5.194 14.073 -4.592 1.00 0.00 C ATOM 437 C LEU A 32 6.027 15.174 -5.241 1.00 0.00 C ATOM 438 O LEU A 32 7.137 14.930 -5.713 1.00 0.00 O ATOM 439 CB LEU A 32 5.575 13.933 -3.117 1.00 0.00 C ATOM 440 CG LEU A 32 5.285 12.575 -2.475 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.212 12.334 -1.294 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.830 12.492 -2.039 1.00 0.00 C ATOM 0 H LEU A 32 6.353 12.509 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 32 4.142 14.347 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.640 14.140 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.046 14.700 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 32 5.466 11.797 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.991 11.363 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.247 12.350 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.063 13.116 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.641 11.519 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.622 13.278 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.182 12.619 -2.907 1.00 0.00 H new ATOM 454 N SER A 33 5.484 16.387 -5.258 1.00 0.00 N ATOM 455 CA SER A 33 6.176 17.526 -5.850 1.00 0.00 C ATOM 456 C SER A 33 7.461 17.837 -5.089 1.00 0.00 C ATOM 457 O SER A 33 8.274 18.652 -5.527 1.00 0.00 O ATOM 458 CB SER A 33 5.265 18.755 -5.859 1.00 0.00 C ATOM 459 OG SER A 33 6.002 19.934 -6.135 1.00 0.00 O ATOM 0 H SER A 33 4.567 16.606 -4.869 1.00 0.00 H new ATOM 0 HA SER A 33 6.436 17.268 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.484 18.627 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.768 18.850 -4.893 1.00 0.00 H new ATOM 0 HG SER A 33 6.939 19.702 -6.302 1.00 0.00 H new ATOM 465 N ARG A 34 7.638 17.181 -3.947 1.00 0.00 N ATOM 466 CA ARG A 34 8.824 17.387 -3.123 1.00 0.00 C ATOM 467 C ARG A 34 9.068 16.187 -2.213 1.00 0.00 C ATOM 468 O ARG A 34 8.134 15.476 -1.842 1.00 0.00 O ATOM 469 CB ARG A 34 8.672 18.656 -2.283 1.00 0.00 C ATOM 470 CG ARG A 34 9.547 18.671 -1.040 1.00 0.00 C ATOM 471 CD ARG A 34 9.387 19.968 -0.262 1.00 0.00 C ATOM 472 NE ARG A 34 10.050 19.912 1.038 1.00 0.00 N ATOM 473 CZ ARG A 34 10.155 20.954 1.855 1.00 0.00 C ATOM 474 NH1 ARG A 34 9.643 22.127 1.508 1.00 0.00 N ATOM 475 NH2 ARG A 34 10.773 20.824 3.022 1.00 0.00 N ATOM 0 H ARG A 34 6.976 16.502 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 34 9.682 17.499 -3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.916 19.521 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.629 18.761 -1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.287 17.827 -0.401 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.591 18.544 -1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.799 20.793 -0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.327 20.177 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 34 10.455 19.024 1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.167 22.231 0.612 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.725 22.926 2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.168 19.923 3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.853 21.625 3.649 1.00 0.00 H new ATOM 489 N ALA A 35 10.330 15.968 -1.857 1.00 0.00 N ATOM 490 CA ALA A 35 10.697 14.856 -0.989 1.00 0.00 C ATOM 491 C ALA A 35 10.764 15.297 0.469 1.00 0.00 C ATOM 492 O ALA A 35 10.632 16.480 0.777 1.00 0.00 O ATOM 493 CB ALA A 35 12.029 14.264 -1.425 1.00 0.00 C ATOM 0 H ALA A 35 11.115 16.546 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 35 9.926 14.090 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.291 13.435 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.949 13.903 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.803 15.029 -1.369 1.00 0.00 H new ATOM 534 N VAL A 39 3.525 11.414 5.501 1.00 0.00 N ATOM 535 CA VAL A 39 2.346 10.845 4.858 1.00 0.00 C ATOM 536 C VAL A 39 1.443 10.158 5.876 1.00 0.00 C ATOM 537 O VAL A 39 1.877 9.817 6.977 1.00 0.00 O ATOM 538 CB VAL A 39 2.737 9.831 3.767 1.00 0.00 C ATOM 539 CG1 VAL A 39 3.043 8.475 4.383 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.632 9.716 2.728 1.00 0.00 C ATOM 0 HA VAL A 39 1.805 11.672 4.398 1.00 0.00 H new ATOM 0 HB VAL A 39 3.638 10.188 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.317 7.772 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.870 8.573 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.162 8.107 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.924 8.995 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.713 9.382 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.466 10.688 2.265 1.00 0.00 H new ATOM 550 N HIS A 40 0.184 9.957 5.501 1.00 0.00 N ATOM 551 CA HIS A 40 -0.781 9.308 6.382 1.00 0.00 C ATOM 552 C HIS A 40 -1.592 8.262 5.622 1.00 0.00 C ATOM 553 O HIS A 40 -2.455 8.599 4.813 1.00 0.00 O ATOM 554 CB HIS A 40 -1.719 10.347 6.999 1.00 0.00 C ATOM 555 CG HIS A 40 -2.220 9.969 8.358 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.621 10.895 9.297 1.00 0.00 N ATOM 557 CD2 HIS A 40 -2.384 8.755 8.935 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.010 10.269 10.393 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.877 8.969 10.200 1.00 0.00 N ATOM 0 H HIS A 40 -0.192 10.234 4.594 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.230 8.808 7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.197 11.302 7.066 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.571 10.495 6.335 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.618 11.907 9.166 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.168 7.797 8.485 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.375 10.740 11.294 1.00 0.00 H new ATOM 568 N TRP A 41 -1.306 6.992 5.889 1.00 0.00 N ATOM 569 CA TRP A 41 -2.008 5.897 5.230 1.00 0.00 C ATOM 570 C TRP A 41 -3.272 5.521 5.995 1.00 0.00 C ATOM 571 O TRP A 41 -3.203 5.008 7.113 1.00 0.00 O ATOM 572 CB TRP A 41 -1.092 4.679 5.104 1.00 0.00 C ATOM 573 CG TRP A 41 0.059 4.895 4.169 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.333 5.253 4.506 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.040 4.769 2.743 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.107 5.357 3.376 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.338 5.064 2.281 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.946 4.434 1.811 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.671 5.035 0.930 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.614 4.406 0.471 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.686 4.704 0.040 1.00 0.00 C ATOM 0 H TRP A 41 -0.594 6.696 6.556 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.296 6.231 4.233 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.706 4.420 6.090 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.677 3.827 4.757 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.681 5.429 5.513 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.095 5.611 3.356 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.950 4.201 2.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.672 5.266 0.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.369 4.150 -0.258 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.915 4.672 -1.015 1.00 0.00 H new ATOM 592 N LEU A 42 -4.425 5.780 5.388 1.00 0.00 N ATOM 593 CA LEU A 42 -5.706 5.468 6.014 1.00 0.00 C ATOM 594 C LEU A 42 -6.390 4.306 5.302 1.00 0.00 C ATOM 595 O LEU A 42 -6.741 4.403 4.126 1.00 0.00 O ATOM 596 CB LEU A 42 -6.616 6.698 5.999 1.00 0.00 C ATOM 597 CG LEU A 42 -6.098 7.925 6.750 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.616 9.202 6.107 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.502 7.862 8.216 1.00 0.00 C ATOM 0 H LEU A 42 -4.500 6.205 4.464 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.517 5.176 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.795 6.980 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.580 6.417 6.423 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.009 7.930 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.237 10.065 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.277 9.252 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.706 9.206 6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.125 8.743 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.589 7.833 8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.082 6.965 8.671 1.00 0.00 H new ATOM 611 N LYS A 43 -6.580 3.206 6.024 1.00 0.00 N ATOM 612 CA LYS A 43 -7.226 2.025 5.464 1.00 0.00 C ATOM 613 C LYS A 43 -8.592 1.797 6.105 1.00 0.00 C ATOM 614 O LYS A 43 -8.687 1.493 7.294 1.00 0.00 O ATOM 615 CB LYS A 43 -6.344 0.791 5.667 1.00 0.00 C ATOM 616 CG LYS A 43 -6.629 -0.329 4.682 1.00 0.00 C ATOM 617 CD LYS A 43 -7.857 -1.128 5.087 1.00 0.00 C ATOM 618 CE LYS A 43 -7.805 -2.546 4.539 1.00 0.00 C ATOM 619 NZ LYS A 43 -8.538 -3.505 5.411 1.00 0.00 N ATOM 0 H LYS A 43 -6.295 3.108 6.999 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.368 2.191 4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.298 1.084 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.485 0.417 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.778 0.090 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.766 -0.992 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.930 -1.159 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.754 -0.628 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.235 -2.564 3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.766 -2.861 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.906 -4.288 4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.891 -3.882 6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.329 -3.016 5.876 1.00 0.00 H new ATOM 633 N ASP A 44 -9.645 1.944 5.309 1.00 0.00 N ATOM 634 CA ASP A 44 -11.005 1.752 5.798 1.00 0.00 C ATOM 635 C ASP A 44 -11.349 2.783 6.868 1.00 0.00 C ATOM 636 O ASP A 44 -11.981 2.461 7.874 1.00 0.00 O ATOM 637 CB ASP A 44 -11.173 0.339 6.360 1.00 0.00 C ATOM 638 CG ASP A 44 -11.009 -0.730 5.298 1.00 0.00 C ATOM 639 OD1 ASP A 44 -11.210 -0.418 4.106 1.00 0.00 O ATOM 640 OD2 ASP A 44 -10.679 -1.879 5.660 1.00 0.00 O ATOM 0 H ASP A 44 -9.583 2.195 4.322 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.688 1.885 4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.441 0.176 7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.159 0.247 6.815 1.00 0.00 H new ATOM 645 N ARG A 45 -10.929 4.024 6.644 1.00 0.00 N ATOM 646 CA ARG A 45 -11.190 5.102 7.590 1.00 0.00 C ATOM 647 C ARG A 45 -10.493 4.838 8.921 1.00 0.00 C ATOM 648 O ARG A 45 -10.982 5.233 9.980 1.00 0.00 O ATOM 649 CB ARG A 45 -12.696 5.259 7.813 1.00 0.00 C ATOM 650 CG ARG A 45 -13.471 5.566 6.542 1.00 0.00 C ATOM 651 CD ARG A 45 -14.709 6.400 6.833 1.00 0.00 C ATOM 652 NE ARG A 45 -15.781 6.140 5.876 1.00 0.00 N ATOM 653 CZ ARG A 45 -16.892 6.865 5.802 1.00 0.00 C ATOM 654 NH1 ARG A 45 -17.076 7.888 6.625 1.00 0.00 N ATOM 655 NH2 ARG A 45 -17.822 6.566 4.904 1.00 0.00 N ATOM 0 H ARG A 45 -10.406 4.308 5.815 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.793 6.026 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.087 4.342 8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.867 6.058 8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.828 6.099 5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.764 4.634 6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.063 6.184 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.448 7.458 6.806 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.671 5.359 5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.364 8.120 7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.930 8.443 6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.684 5.779 4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.675 7.123 4.848 1.00 0.00 H new ATOM 669 N LYS A 46 -9.347 4.167 8.860 1.00 0.00 N ATOM 670 CA LYS A 46 -8.581 3.851 10.059 1.00 0.00 C ATOM 671 C LYS A 46 -7.121 4.261 9.896 1.00 0.00 C ATOM 672 O LYS A 46 -6.517 4.037 8.847 1.00 0.00 O ATOM 673 CB LYS A 46 -8.669 2.354 10.366 1.00 0.00 C ATOM 674 CG LYS A 46 -7.389 1.774 10.941 1.00 0.00 C ATOM 675 CD LYS A 46 -7.475 0.264 11.083 1.00 0.00 C ATOM 676 CE LYS A 46 -6.121 -0.343 11.415 1.00 0.00 C ATOM 677 NZ LYS A 46 -6.153 -1.831 11.366 1.00 0.00 N ATOM 0 H LYS A 46 -8.929 3.832 7.992 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.008 4.412 10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.483 2.184 11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.921 1.818 9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.549 2.032 10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.191 2.221 11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.190 0.011 11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.851 -0.169 10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.375 0.027 10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.812 -0.019 12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.211 -2.206 11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.847 -2.186 12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.423 -2.141 10.411 1.00 0.00 H new ATOM 691 N ALA A 47 -6.560 4.863 10.940 1.00 0.00 N ATOM 692 CA ALA A 47 -5.170 5.301 10.912 1.00 0.00 C ATOM 693 C ALA A 47 -4.218 4.113 11.001 1.00 0.00 C ATOM 694 O ALA A 47 -4.290 3.316 11.937 1.00 0.00 O ATOM 695 CB ALA A 47 -4.902 6.279 12.047 1.00 0.00 C ATOM 0 H ALA A 47 -7.047 5.058 11.815 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.993 5.805 9.962 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.860 6.598 12.014 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.551 7.148 11.939 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.102 5.792 13.002 1.00 0.00 H new ATOM 701 N ILE A 48 -3.328 4.000 10.021 1.00 0.00 N ATOM 702 CA ILE A 48 -2.362 2.909 9.989 1.00 0.00 C ATOM 703 C ILE A 48 -1.044 3.322 10.636 1.00 0.00 C ATOM 704 O ILE A 48 -0.699 4.504 10.664 1.00 0.00 O ATOM 705 CB ILE A 48 -2.088 2.441 8.547 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.405 2.240 7.794 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.273 1.156 8.553 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.226 2.036 6.306 1.00 0.00 C ATOM 0 H ILE A 48 -3.256 4.651 9.239 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.799 2.085 10.553 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.512 3.211 8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.924 1.377 8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.044 3.107 7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.088 0.838 7.527 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.322 1.331 9.056 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.825 0.378 9.080 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.201 1.900 5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.735 2.909 5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.613 1.152 6.131 1.00 0.00 H new ATOM 720 N ARG A 49 -0.312 2.341 11.153 1.00 0.00 N ATOM 721 CA ARG A 49 0.969 2.603 11.799 1.00 0.00 C ATOM 722 C ARG A 49 2.077 1.766 11.167 1.00 0.00 C ATOM 723 O ARG A 49 1.970 0.543 11.071 1.00 0.00 O ATOM 724 CB ARG A 49 0.879 2.303 13.296 1.00 0.00 C ATOM 725 CG ARG A 49 0.609 0.840 13.610 1.00 0.00 C ATOM 726 CD ARG A 49 -0.169 0.683 14.907 1.00 0.00 C ATOM 727 NE ARG A 49 0.680 0.870 16.080 1.00 0.00 N ATOM 728 CZ ARG A 49 0.242 0.756 17.329 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.028 0.457 17.566 1.00 0.00 N ATOM 730 NH2 ARG A 49 1.076 0.941 18.345 1.00 0.00 N ATOM 0 H ARG A 49 -0.584 1.358 11.137 1.00 0.00 H new ATOM 0 HA ARG A 49 1.210 3.657 11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.812 2.602 13.774 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.087 2.912 13.733 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.049 0.388 12.791 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.554 0.302 13.684 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.984 1.406 14.931 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.621 -0.308 14.941 1.00 0.00 H new ATOM 0 HE ARG A 49 1.663 1.101 15.933 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.672 0.314 16.788 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.361 0.370 18.526 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.054 1.171 18.167 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.739 0.853 19.304 1.00 0.00 H new ATOM 744 N LYS A 50 3.143 2.433 10.737 1.00 0.00 N ATOM 745 CA LYS A 50 4.273 1.752 10.116 1.00 0.00 C ATOM 746 C LYS A 50 4.758 0.597 10.985 1.00 0.00 C ATOM 747 O LYS A 50 5.173 0.799 12.127 1.00 0.00 O ATOM 748 CB LYS A 50 5.418 2.738 9.873 1.00 0.00 C ATOM 749 CG LYS A 50 6.634 2.109 9.215 1.00 0.00 C ATOM 750 CD LYS A 50 7.642 3.160 8.784 1.00 0.00 C ATOM 751 CE LYS A 50 8.614 3.493 9.905 1.00 0.00 C ATOM 752 NZ LYS A 50 9.770 2.555 9.933 1.00 0.00 N ATOM 0 H LYS A 50 3.248 3.445 10.807 1.00 0.00 H new ATOM 0 HA LYS A 50 3.940 1.348 9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.057 3.553 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.717 3.176 10.825 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.106 1.414 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.320 1.528 8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.195 2.801 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.117 4.064 8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.977 4.513 9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.092 3.455 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.409 2.815 10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.426 1.584 10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.283 2.609 9.030 1.00 0.00 H new ATOM 766 N SER A 51 4.704 -0.613 10.438 1.00 0.00 N ATOM 767 CA SER A 51 5.136 -1.801 11.165 1.00 0.00 C ATOM 768 C SER A 51 5.466 -2.937 10.202 1.00 0.00 C ATOM 769 O SER A 51 5.287 -2.810 8.991 1.00 0.00 O ATOM 770 CB SER A 51 4.050 -2.247 12.146 1.00 0.00 C ATOM 771 OG SER A 51 2.818 -2.460 11.480 1.00 0.00 O ATOM 0 H SER A 51 4.365 -0.797 9.494 1.00 0.00 H new ATOM 0 HA SER A 51 6.038 -1.548 11.723 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.361 -3.165 12.645 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.922 -1.491 12.921 1.00 0.00 H new ATOM 0 HG SER A 51 2.397 -1.596 11.287 1.00 0.00 H new ATOM 777 N GLN A 52 5.949 -4.048 10.750 1.00 0.00 N ATOM 778 CA GLN A 52 6.304 -5.207 9.940 1.00 0.00 C ATOM 779 C GLN A 52 5.344 -5.366 8.767 1.00 0.00 C ATOM 780 O GLN A 52 5.766 -5.518 7.620 1.00 0.00 O ATOM 781 CB GLN A 52 6.298 -6.475 10.796 1.00 0.00 C ATOM 782 CG GLN A 52 7.239 -7.556 10.289 1.00 0.00 C ATOM 783 CD GLN A 52 8.690 -7.267 10.619 1.00 0.00 C ATOM 784 OE1 GLN A 52 9.168 -6.146 10.444 1.00 0.00 O ATOM 785 NE2 GLN A 52 9.401 -8.281 11.099 1.00 0.00 N ATOM 0 H GLN A 52 6.103 -4.169 11.751 1.00 0.00 H new ATOM 0 HA GLN A 52 7.307 -5.049 9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.574 -6.215 11.818 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.285 -6.875 10.831 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.955 -8.514 10.725 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.128 -7.652 9.209 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.965 -9.194 11.228 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.383 -8.147 11.338 1.00 0.00 H new ATOM 794 N LYS A 53 4.048 -5.332 9.060 1.00 0.00 N ATOM 795 CA LYS A 53 3.026 -5.471 8.030 1.00 0.00 C ATOM 796 C LYS A 53 3.098 -4.320 7.033 1.00 0.00 C ATOM 797 O LYS A 53 3.350 -4.528 5.846 1.00 0.00 O ATOM 798 CB LYS A 53 1.635 -5.523 8.666 1.00 0.00 C ATOM 799 CG LYS A 53 0.505 -5.305 7.676 1.00 0.00 C ATOM 800 CD LYS A 53 0.315 -6.512 6.772 1.00 0.00 C ATOM 801 CE LYS A 53 -0.649 -7.519 7.381 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.069 -7.122 7.176 1.00 0.00 N ATOM 0 H LYS A 53 3.681 -5.209 10.004 1.00 0.00 H new ATOM 0 HA LYS A 53 3.209 -6.403 7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.502 -6.491 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.573 -4.765 9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.420 -5.105 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.716 -4.424 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.062 -6.186 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.278 -6.990 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.478 -8.500 6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.449 -7.614 8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.689 -7.757 7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.206 -6.144 7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.305 -7.188 6.165 1.00 0.00 H new ATOM 816 N TYR A 54 2.876 -3.105 7.522 1.00 0.00 N ATOM 817 CA TYR A 54 2.915 -1.920 6.673 1.00 0.00 C ATOM 818 C TYR A 54 4.302 -1.286 6.686 1.00 0.00 C ATOM 819 O TYR A 54 4.706 -0.668 7.671 1.00 0.00 O ATOM 820 CB TYR A 54 1.872 -0.901 7.136 1.00 0.00 C ATOM 821 CG TYR A 54 0.473 -1.468 7.234 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.193 -1.926 6.105 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.181 -1.546 8.458 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.471 -2.444 6.190 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.458 -2.064 8.553 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.099 -2.511 7.417 1.00 0.00 C ATOM 827 OH TYR A 54 -3.371 -3.028 7.507 1.00 0.00 O ATOM 0 H TYR A 54 2.667 -2.915 8.502 1.00 0.00 H new ATOM 0 HA TYR A 54 2.685 -2.227 5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.166 -0.510 8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.866 -0.059 6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.297 -1.876 5.144 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.318 -1.196 9.350 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.975 -2.794 5.302 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.952 -2.119 9.512 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.668 -3.005 8.441 1.00 0.00 H new ATOM 837 N ASP A 55 5.027 -1.442 5.584 1.00 0.00 N ATOM 838 CA ASP A 55 6.369 -0.884 5.465 1.00 0.00 C ATOM 839 C ASP A 55 6.349 0.414 4.665 1.00 0.00 C ATOM 840 O ASP A 55 6.360 0.398 3.434 1.00 0.00 O ATOM 841 CB ASP A 55 7.307 -1.893 4.800 1.00 0.00 C ATOM 842 CG ASP A 55 7.234 -3.264 5.444 1.00 0.00 C ATOM 843 OD1 ASP A 55 7.066 -3.331 6.680 1.00 0.00 O ATOM 844 OD2 ASP A 55 7.343 -4.269 4.712 1.00 0.00 O ATOM 0 H ASP A 55 4.708 -1.951 4.760 1.00 0.00 H new ATOM 0 HA ASP A 55 6.735 -0.666 6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.054 -1.977 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.331 -1.523 4.854 1.00 0.00 H new ATOM 849 N VAL A 56 6.318 1.539 5.373 1.00 0.00 N ATOM 850 CA VAL A 56 6.296 2.847 4.729 1.00 0.00 C ATOM 851 C VAL A 56 7.661 3.196 4.147 1.00 0.00 C ATOM 852 O VAL A 56 8.567 3.616 4.869 1.00 0.00 O ATOM 853 CB VAL A 56 5.873 3.951 5.716 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.858 5.307 5.026 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.512 3.635 6.318 1.00 0.00 C ATOM 0 H VAL A 56 6.308 1.571 6.392 1.00 0.00 H new ATOM 0 HA VAL A 56 5.564 2.791 3.923 1.00 0.00 H new ATOM 0 HB VAL A 56 6.602 3.990 6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.557 6.075 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.855 5.534 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.152 5.285 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.229 4.426 7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.769 3.568 5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.561 2.685 6.850 1.00 0.00 H new ATOM 865 N VAL A 57 7.803 3.021 2.837 1.00 0.00 N ATOM 866 CA VAL A 57 9.058 3.319 2.157 1.00 0.00 C ATOM 867 C VAL A 57 9.001 4.679 1.471 1.00 0.00 C ATOM 868 O VAL A 57 8.590 4.785 0.314 1.00 0.00 O ATOM 869 CB VAL A 57 9.398 2.241 1.111 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.764 2.507 0.495 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.347 0.856 1.737 1.00 0.00 C ATOM 0 H VAL A 57 7.064 2.674 2.225 1.00 0.00 H new ATOM 0 HA VAL A 57 9.837 3.333 2.919 1.00 0.00 H new ATOM 0 HB VAL A 57 8.653 2.283 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.987 1.735 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.760 3.483 0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.524 2.494 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.590 0.107 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.069 0.798 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.346 0.669 2.125 1.00 0.00 H new ATOM 914 N THR A 61 10.799 11.499 -3.531 1.00 0.00 N ATOM 915 CA THR A 61 9.457 11.883 -3.948 1.00 0.00 C ATOM 916 C THR A 61 8.627 10.660 -4.322 1.00 0.00 C ATOM 917 O THR A 61 7.907 10.668 -5.319 1.00 0.00 O ATOM 918 CB THR A 61 9.496 12.848 -5.148 1.00 0.00 C ATOM 919 OG1 THR A 61 9.963 12.162 -6.314 1.00 0.00 O ATOM 920 CG2 THR A 61 10.400 14.037 -4.856 1.00 0.00 C ATOM 0 HA THR A 61 8.995 12.388 -3.100 1.00 0.00 H new ATOM 0 HB THR A 61 8.485 13.215 -5.324 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.983 12.782 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.412 14.705 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.024 14.574 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.412 13.684 -4.656 1.00 0.00 H new ATOM 928 N MET A 62 8.732 9.610 -3.514 1.00 0.00 N ATOM 929 CA MET A 62 7.988 8.380 -3.759 1.00 0.00 C ATOM 930 C MET A 62 7.576 7.722 -2.446 1.00 0.00 C ATOM 931 O MET A 62 8.420 7.398 -1.612 1.00 0.00 O ATOM 932 CB MET A 62 8.829 7.407 -4.588 1.00 0.00 C ATOM 933 CG MET A 62 8.024 6.267 -5.189 1.00 0.00 C ATOM 934 SD MET A 62 7.469 5.080 -3.950 1.00 0.00 S ATOM 935 CE MET A 62 9.037 4.523 -3.288 1.00 0.00 C ATOM 0 H MET A 62 9.325 9.586 -2.684 1.00 0.00 H new ATOM 0 HA MET A 62 7.086 8.636 -4.315 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.320 7.957 -5.391 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.616 6.992 -3.958 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.158 6.674 -5.710 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.631 5.752 -5.934 1.00 0.00 H new ATOM 0 HE1 MET A 62 9.027 3.437 -3.194 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.842 4.822 -3.959 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.197 4.970 -2.307 1.00 0.00 H new ATOM 945 N ALA A 63 6.273 7.529 -2.269 1.00 0.00 N ATOM 946 CA ALA A 63 5.750 6.909 -1.059 1.00 0.00 C ATOM 947 C ALA A 63 5.147 5.541 -1.359 1.00 0.00 C ATOM 948 O ALA A 63 4.062 5.443 -1.931 1.00 0.00 O ATOM 949 CB ALA A 63 4.713 7.813 -0.408 1.00 0.00 C ATOM 0 H ALA A 63 5.560 7.794 -2.949 1.00 0.00 H new ATOM 0 HA ALA A 63 6.579 6.768 -0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.331 7.337 0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.173 8.767 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.891 7.984 -1.104 1.00 0.00 H new ATOM 955 N MET A 64 5.858 4.488 -0.970 1.00 0.00 N ATOM 956 CA MET A 64 5.392 3.125 -1.198 1.00 0.00 C ATOM 957 C MET A 64 4.948 2.477 0.109 1.00 0.00 C ATOM 958 O MET A 64 5.557 2.690 1.158 1.00 0.00 O ATOM 959 CB MET A 64 6.495 2.288 -1.847 1.00 0.00 C ATOM 960 CG MET A 64 5.994 0.988 -2.455 1.00 0.00 C ATOM 961 SD MET A 64 7.260 0.136 -3.416 1.00 0.00 S ATOM 962 CE MET A 64 8.507 -0.141 -2.161 1.00 0.00 C ATOM 0 H MET A 64 6.759 4.552 -0.496 1.00 0.00 H new ATOM 0 HA MET A 64 4.536 3.168 -1.871 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.979 2.880 -2.624 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.255 2.061 -1.099 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.644 0.331 -1.659 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.137 1.198 -3.095 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.225 -0.879 -2.518 1.00 0.00 H new ATOM 0 HE2 MET A 64 9.024 0.795 -1.949 1.00 0.00 H new ATOM 0 HE3 MET A 64 8.032 -0.508 -1.251 1.00 0.00 H new ATOM 972 N LEU A 65 3.883 1.686 0.040 1.00 0.00 N ATOM 973 CA LEU A 65 3.357 1.006 1.219 1.00 0.00 C ATOM 974 C LEU A 65 3.241 -0.495 0.976 1.00 0.00 C ATOM 975 O LEU A 65 2.390 -0.947 0.209 1.00 0.00 O ATOM 976 CB LEU A 65 1.990 1.580 1.595 1.00 0.00 C ATOM 977 CG LEU A 65 1.327 0.978 2.835 1.00 0.00 C ATOM 978 CD1 LEU A 65 2.073 1.395 4.094 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.134 1.397 2.915 1.00 0.00 C ATOM 0 H LEU A 65 3.367 1.500 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 65 4.052 1.169 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.099 2.653 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.317 1.448 0.748 1.00 0.00 H new ATOM 0 HG LEU A 65 1.369 -0.108 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.587 0.958 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.104 1.045 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.063 2.482 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.590 0.960 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.198 2.484 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.662 1.048 2.027 1.00 0.00 H new ATOM 991 N VAL A 66 4.101 -1.264 1.635 1.00 0.00 N ATOM 992 CA VAL A 66 4.094 -2.716 1.494 1.00 0.00 C ATOM 993 C VAL A 66 3.125 -3.359 2.479 1.00 0.00 C ATOM 994 O VAL A 66 3.256 -3.193 3.692 1.00 0.00 O ATOM 995 CB VAL A 66 5.499 -3.308 1.711 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.547 -4.755 1.244 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.546 -2.472 0.992 1.00 0.00 C ATOM 0 H VAL A 66 4.812 -0.906 2.272 1.00 0.00 H new ATOM 0 HA VAL A 66 3.770 -2.934 0.476 1.00 0.00 H new ATOM 0 HB VAL A 66 5.722 -3.288 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.548 -5.156 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.824 -5.344 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.304 -4.803 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.533 -2.905 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.329 -2.457 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.527 -1.453 1.380 1.00 0.00 H new ATOM 1007 N ILE A 67 2.153 -4.094 1.950 1.00 0.00 N ATOM 1008 CA ILE A 67 1.162 -4.764 2.783 1.00 0.00 C ATOM 1009 C ILE A 67 1.406 -6.269 2.824 1.00 0.00 C ATOM 1010 O ILE A 67 0.684 -7.042 2.195 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.269 -4.501 2.279 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.554 -2.997 2.248 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.281 -5.219 3.158 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.534 -2.590 1.170 1.00 0.00 C ATOM 0 H ILE A 67 2.030 -4.241 0.948 1.00 0.00 H new ATOM 0 HA ILE A 67 1.265 -4.353 3.787 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.358 -4.890 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.945 -2.689 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.383 -2.461 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.288 -5.023 2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.088 -6.291 3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.194 -4.858 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.688 -1.512 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.136 -2.866 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.485 -3.098 1.332 1.00 0.00 H new ATOM 1026 N ARG A 68 2.426 -6.677 3.572 1.00 0.00 N ATOM 1027 CA ARG A 68 2.765 -8.090 3.696 1.00 0.00 C ATOM 1028 C ARG A 68 1.508 -8.936 3.879 1.00 0.00 C ATOM 1029 O ARG A 68 0.615 -8.582 4.647 1.00 0.00 O ATOM 1030 CB ARG A 68 3.714 -8.307 4.875 1.00 0.00 C ATOM 1031 CG ARG A 68 5.181 -8.135 4.516 1.00 0.00 C ATOM 1032 CD ARG A 68 5.743 -9.384 3.856 1.00 0.00 C ATOM 1033 NE ARG A 68 6.058 -10.424 4.831 1.00 0.00 N ATOM 1034 CZ ARG A 68 6.826 -11.475 4.564 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.354 -11.624 3.357 1.00 0.00 N ATOM 1036 NH2 ARG A 68 7.066 -12.379 5.505 1.00 0.00 N ATOM 0 H ARG A 68 3.032 -6.050 4.101 1.00 0.00 H new ATOM 0 HA ARG A 68 3.262 -8.401 2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.459 -7.606 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.561 -9.310 5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.295 -7.284 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.753 -7.909 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.021 -9.769 3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.643 -9.125 3.298 1.00 0.00 H new ATOM 0 HE ARG A 68 5.667 -10.339 5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.171 -10.931 2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.943 -12.432 3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.661 -12.268 6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.656 -13.185 5.299 1.00 0.00 H new ATOM 1050 N GLY A 69 1.446 -10.056 3.165 1.00 0.00 N ATOM 1051 CA GLY A 69 0.295 -10.935 3.262 1.00 0.00 C ATOM 1052 C GLY A 69 -1.017 -10.176 3.247 1.00 0.00 C ATOM 1053 O GLY A 69 -1.598 -9.907 4.298 1.00 0.00 O ATOM 0 H GLY A 69 2.172 -10.370 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.311 -11.643 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.363 -11.518 4.180 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.483 -9.828 2.052 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.735 -9.095 1.905 1.00 0.00 C ATOM 1059 C ALA A 70 -3.918 -10.049 1.778 1.00 0.00 C ATOM 1060 O ALA A 70 -4.153 -10.623 0.715 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.667 -8.172 0.697 1.00 0.00 C ATOM 0 H ALA A 70 -1.013 -10.042 1.172 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.882 -8.493 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.608 -7.631 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.851 -7.461 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.493 -8.762 -0.203 1.00 0.00 H new ATOM 1067 N SER A 71 -4.658 -10.215 2.869 1.00 0.00 N ATOM 1068 CA SER A 71 -5.815 -11.103 2.881 1.00 0.00 C ATOM 1069 C SER A 71 -7.053 -10.390 2.346 1.00 0.00 C ATOM 1070 O SER A 71 -7.048 -9.174 2.153 1.00 0.00 O ATOM 1071 CB SER A 71 -6.078 -11.613 4.299 1.00 0.00 C ATOM 1072 OG SER A 71 -4.964 -12.332 4.798 1.00 0.00 O ATOM 0 H SER A 71 -4.477 -9.746 3.757 1.00 0.00 H new ATOM 0 HA SER A 71 -5.598 -11.951 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.296 -10.772 4.957 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.959 -12.255 4.300 1.00 0.00 H new ATOM 0 HG SER A 71 -5.157 -12.646 5.706 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.112 -11.156 2.109 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.359 -10.599 1.597 1.00 0.00 C ATOM 1080 C LEU A 72 -9.787 -9.381 2.410 1.00 0.00 C ATOM 1081 O LEU A 72 -10.453 -8.481 1.897 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.463 -11.658 1.624 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.149 -12.974 0.912 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -10.904 -14.125 1.558 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.489 -12.874 -0.568 1.00 0.00 C ATOM 0 H LEU A 72 -8.132 -12.164 2.263 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.191 -10.284 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.701 -11.879 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.360 -11.231 1.175 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.081 -13.170 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.668 -15.053 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.611 -14.211 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.976 -13.937 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.259 -13.820 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.550 -12.654 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.901 -12.077 -1.023 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.398 -9.358 3.680 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.738 -8.250 4.565 1.00 0.00 C ATOM 1099 C LYS A 73 -8.883 -7.025 4.254 1.00 0.00 C ATOM 1100 O LYS A 73 -9.387 -5.903 4.198 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.548 -8.661 6.026 1.00 0.00 C ATOM 1102 CG LYS A 73 -10.768 -9.330 6.634 1.00 0.00 C ATOM 1103 CD LYS A 73 -10.541 -9.685 8.094 1.00 0.00 C ATOM 1104 CE LYS A 73 -9.803 -11.007 8.238 1.00 0.00 C ATOM 1105 NZ LYS A 73 -8.326 -10.817 8.266 1.00 0.00 N ATOM 0 H LYS A 73 -8.847 -10.095 4.120 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.784 -7.993 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.699 -9.341 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.298 -7.778 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.628 -8.666 6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.007 -10.233 6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.969 -8.893 8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.500 -9.745 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.123 -11.504 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.069 -11.664 7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.888 -11.388 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.102 -9.813 8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.955 -11.117 9.190 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.589 -7.248 4.053 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.665 -6.163 3.746 1.00 0.00 C ATOM 1121 C ASP A 74 -7.260 -5.221 2.703 1.00 0.00 C ATOM 1122 O ASP A 74 -6.888 -4.051 2.625 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.334 -6.724 3.244 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.529 -7.381 4.348 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -5.092 -8.236 5.065 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.337 -7.042 4.495 1.00 0.00 O ATOM 0 H ASP A 74 -7.156 -8.171 4.097 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.490 -5.598 4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.524 -7.452 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.748 -5.919 2.801 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.184 -5.742 1.902 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.831 -4.948 0.865 1.00 0.00 C ATOM 1133 C ALA A 75 -9.631 -3.799 1.471 1.00 0.00 C ATOM 1134 O ALA A 75 -10.516 -4.015 2.297 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.732 -5.828 0.011 1.00 0.00 C ATOM 0 H ALA A 75 -8.501 -6.710 1.952 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.053 -4.520 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.209 -5.222 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.136 -6.610 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.497 -6.283 0.639 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.312 -2.577 1.055 1.00 0.00 N ATOM 1142 CA GLY A 76 -10.009 -1.413 1.568 1.00 0.00 C ATOM 1143 C GLY A 76 -9.673 -0.150 0.801 1.00 0.00 C ATOM 1144 O GLY A 76 -8.983 -0.201 -0.217 1.00 0.00 O ATOM 0 H GLY A 76 -8.583 -2.373 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.084 -1.587 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.754 -1.275 2.619 1.00 0.00 H new ATOM 1148 N GLU A 77 -10.163 0.985 1.288 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.911 2.266 0.638 1.00 0.00 C ATOM 1150 C GLU A 77 -8.686 2.949 1.239 1.00 0.00 C ATOM 1151 O GLU A 77 -8.718 3.419 2.376 1.00 0.00 O ATOM 1152 CB GLU A 77 -11.133 3.178 0.770 1.00 0.00 C ATOM 1153 CG GLU A 77 -11.299 4.143 -0.392 1.00 0.00 C ATOM 1154 CD GLU A 77 -12.730 4.620 -0.554 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -13.654 3.808 -0.339 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -12.924 5.806 -0.895 1.00 0.00 O ATOM 0 H GLU A 77 -10.736 1.044 2.130 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.719 2.078 -0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.029 2.562 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.053 3.747 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.648 5.004 -0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.976 3.657 -1.312 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.607 3.000 0.466 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.369 3.622 0.921 1.00 0.00 C ATOM 1165 C TYR A 78 -6.350 5.109 0.581 1.00 0.00 C ATOM 1166 O TYR A 78 -6.300 5.491 -0.589 1.00 0.00 O ATOM 1167 CB TYR A 78 -5.162 2.927 0.290 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.841 1.586 0.911 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -5.556 0.448 0.561 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.823 1.458 1.847 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.267 -0.779 1.127 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.526 0.235 2.417 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.251 -0.880 2.054 1.00 0.00 C ATOM 1174 OH TYR A 78 -3.960 -2.101 2.619 1.00 0.00 O ATOM 0 H TYR A 78 -7.564 2.618 -0.479 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.315 3.515 2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.349 2.789 -0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.292 3.577 0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.351 0.523 -0.166 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.254 2.330 2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.834 -1.654 0.845 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.730 0.153 3.143 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.359 -2.815 2.079 1.00 0.00 H new ATOM 1184 N THR A 79 -6.389 5.947 1.613 1.00 0.00 N ATOM 1185 CA THR A 79 -6.376 7.392 1.425 1.00 0.00 C ATOM 1186 C THR A 79 -5.042 7.991 1.855 1.00 0.00 C ATOM 1187 O THR A 79 -4.741 8.068 3.047 1.00 0.00 O ATOM 1188 CB THR A 79 -7.510 8.071 2.216 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.781 7.625 1.732 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.419 9.585 2.100 1.00 0.00 C ATOM 0 H THR A 79 -6.430 5.649 2.588 1.00 0.00 H new ATOM 0 HA THR A 79 -6.526 7.574 0.361 1.00 0.00 H new ATOM 0 HB THR A 79 -7.406 7.796 3.266 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.496 8.060 2.241 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.230 10.043 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.462 9.924 2.498 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.499 9.875 1.052 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.247 8.413 0.879 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.943 9.006 1.157 1.00 0.00 C ATOM 1200 C CYS A 80 -3.084 10.476 1.539 1.00 0.00 C ATOM 1201 O CYS A 80 -3.003 11.359 0.685 1.00 0.00 O ATOM 1202 CB CYS A 80 -2.027 8.868 -0.060 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.294 9.261 0.273 1.00 0.00 S ATOM 0 H CYS A 80 -4.482 8.356 -0.112 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.501 8.472 1.998 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.091 7.847 -0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.391 9.523 -0.852 1.00 0.00 H new ATOM 0 HG CYS A 80 0.401 9.113 -0.815 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.298 10.730 2.826 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.453 12.093 3.319 1.00 0.00 C ATOM 1211 C GLU A 81 -2.095 12.769 3.486 1.00 0.00 C ATOM 1212 O GLU A 81 -1.398 12.552 4.477 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.203 12.094 4.653 1.00 0.00 C ATOM 1214 CG GLU A 81 -5.037 13.343 4.881 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.181 13.688 6.351 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -5.644 12.822 7.122 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -4.829 14.825 6.730 1.00 0.00 O ATOM 0 H GLU A 81 -3.368 10.010 3.545 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.031 12.654 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.853 11.220 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.483 11.995 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.578 14.182 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.026 13.199 4.447 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.726 13.591 2.508 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.452 14.300 2.545 1.00 0.00 C ATOM 1226 C VAL A 82 -0.625 15.711 3.096 1.00 0.00 C ATOM 1227 O VAL A 82 -1.724 16.106 3.483 1.00 0.00 O ATOM 1228 CB VAL A 82 0.186 14.381 1.146 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.393 15.549 0.362 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.698 14.500 1.257 1.00 0.00 C ATOM 0 H VAL A 82 -2.291 13.782 1.681 1.00 0.00 H new ATOM 0 HA VAL A 82 0.207 13.734 3.204 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.045 13.463 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.070 15.590 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.469 15.416 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.195 16.479 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.133 14.556 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.952 15.401 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.094 13.628 1.777 1.00 0.00 H new ATOM 1240 N GLU A 83 0.469 16.466 3.128 1.00 0.00 N ATOM 1241 CA GLU A 83 0.438 17.834 3.631 1.00 0.00 C ATOM 1242 C GLU A 83 -0.920 18.480 3.368 1.00 0.00 C ATOM 1243 O GLU A 83 -1.703 18.702 4.291 1.00 0.00 O ATOM 1244 CB GLU A 83 1.545 18.666 2.982 1.00 0.00 C ATOM 1245 CG GLU A 83 2.016 18.116 1.646 1.00 0.00 C ATOM 1246 CD GLU A 83 2.781 19.140 0.830 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.737 19.733 1.371 1.00 0.00 O ATOM 1248 OE2 GLU A 83 2.424 19.347 -0.348 1.00 0.00 O ATOM 0 H GLU A 83 1.387 16.153 2.812 1.00 0.00 H new ATOM 0 HA GLU A 83 0.603 17.801 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.186 19.685 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.394 18.720 3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.651 17.247 1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.154 17.772 1.075 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.190 18.780 2.102 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.452 19.399 1.716 1.00 0.00 C ATOM 1257 C ALA A 84 -3.189 18.548 0.687 1.00 0.00 C ATOM 1258 O ALA A 84 -4.419 18.539 0.641 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.208 20.798 1.170 1.00 0.00 C ATOM 0 H ALA A 84 -0.552 18.604 1.326 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.079 19.472 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.159 21.249 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.731 21.410 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.559 20.740 0.297 1.00 0.00 H new ATOM 1265 N SER A 85 -2.428 17.835 -0.138 1.00 0.00 N ATOM 1266 CA SER A 85 -3.010 16.984 -1.170 1.00 0.00 C ATOM 1267 C SER A 85 -3.621 15.728 -0.557 1.00 0.00 C ATOM 1268 O SER A 85 -3.571 15.526 0.656 1.00 0.00 O ATOM 1269 CB SER A 85 -1.947 16.597 -2.200 1.00 0.00 C ATOM 1270 OG SER A 85 -2.526 16.388 -3.476 1.00 0.00 O ATOM 0 H SER A 85 -1.408 17.830 -0.112 1.00 0.00 H new ATOM 0 HA SER A 85 -3.800 17.546 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.194 17.383 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.435 15.691 -1.876 1.00 0.00 H new ATOM 0 HG SER A 85 -1.940 16.763 -4.166 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.200 14.885 -1.406 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.821 13.647 -0.951 1.00 0.00 C ATOM 1278 C LYS A 86 -5.116 12.722 -2.128 1.00 0.00 C ATOM 1279 O LYS A 86 -5.529 13.173 -3.196 1.00 0.00 O ATOM 1280 CB LYS A 86 -6.114 13.950 -0.191 1.00 0.00 C ATOM 1281 CG LYS A 86 -5.884 14.475 1.215 1.00 0.00 C ATOM 1282 CD LYS A 86 -6.994 14.046 2.160 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.354 14.526 1.677 1.00 0.00 C ATOM 1284 NZ LYS A 86 -8.635 15.923 2.109 1.00 0.00 N ATOM 0 H LYS A 86 -4.252 15.037 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.123 13.144 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.693 14.683 -0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.715 13.042 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.927 14.111 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.824 15.563 1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.000 12.959 2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.799 14.444 3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.395 14.467 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.130 13.864 2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.571 16.213 1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.622 15.975 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.909 16.559 1.721 1.00 0.00 H new ATOM 1298 N SER A 87 -4.903 11.426 -1.924 1.00 0.00 N ATOM 1299 CA SER A 87 -5.144 10.438 -2.969 1.00 0.00 C ATOM 1300 C SER A 87 -5.968 9.271 -2.434 1.00 0.00 C ATOM 1301 O SER A 87 -5.702 8.753 -1.349 1.00 0.00 O ATOM 1302 CB SER A 87 -3.816 9.924 -3.531 1.00 0.00 C ATOM 1303 OG SER A 87 -4.016 8.786 -4.350 1.00 0.00 O ATOM 0 H SER A 87 -4.564 11.036 -1.045 1.00 0.00 H new ATOM 0 HA SER A 87 -5.706 10.921 -3.768 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.333 10.712 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.143 9.672 -2.711 1.00 0.00 H new ATOM 0 HG SER A 87 -3.961 7.975 -3.802 1.00 0.00 H new ATOM 1309 N THR A 88 -6.971 8.861 -3.204 1.00 0.00 N ATOM 1310 CA THR A 88 -7.836 7.756 -2.809 1.00 0.00 C ATOM 1311 C THR A 88 -7.767 6.616 -3.818 1.00 0.00 C ATOM 1312 O THR A 88 -7.605 6.843 -5.016 1.00 0.00 O ATOM 1313 CB THR A 88 -9.300 8.213 -2.667 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.365 9.421 -1.901 1.00 0.00 O ATOM 1315 CG2 THR A 88 -10.140 7.136 -1.996 1.00 0.00 C ATOM 0 H THR A 88 -7.204 9.278 -4.105 1.00 0.00 H new ATOM 0 HA THR A 88 -7.477 7.403 -1.842 1.00 0.00 H new ATOM 0 HB THR A 88 -9.699 8.395 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.299 9.705 -1.817 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.170 7.481 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.113 6.227 -2.596 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.740 6.928 -1.004 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.891 5.388 -3.325 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.845 4.211 -4.184 1.00 0.00 C ATOM 1325 C ALA A 89 -8.595 3.042 -3.554 1.00 0.00 C ATOM 1326 O ALA A 89 -8.974 3.093 -2.384 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.403 3.823 -4.471 1.00 0.00 C ATOM 0 H ALA A 89 -8.024 5.182 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.336 4.459 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.384 2.943 -5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.897 4.648 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.893 3.599 -3.534 1.00 0.00 H new ATOM 1333 N SER A 90 -8.805 1.989 -4.338 1.00 0.00 N ATOM 1334 CA SER A 90 -9.513 0.808 -3.857 1.00 0.00 C ATOM 1335 C SER A 90 -8.699 -0.456 -4.116 1.00 0.00 C ATOM 1336 O SER A 90 -8.380 -0.780 -5.261 1.00 0.00 O ATOM 1337 CB SER A 90 -10.880 0.696 -4.536 1.00 0.00 C ATOM 1338 OG SER A 90 -11.681 1.832 -4.260 1.00 0.00 O ATOM 0 H SER A 90 -8.495 1.930 -5.308 1.00 0.00 H new ATOM 0 HA SER A 90 -9.656 0.913 -2.782 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.747 0.594 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.389 -0.204 -4.191 1.00 0.00 H new ATOM 0 HG SER A 90 -12.548 1.737 -4.706 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.365 -1.167 -3.045 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.588 -2.397 -3.154 1.00 0.00 C ATOM 1346 C LEU A 91 -8.502 -3.602 -3.350 1.00 0.00 C ATOM 1347 O LEU A 91 -9.614 -3.644 -2.823 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.728 -2.592 -1.904 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.116 -3.981 -1.721 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.220 -4.329 -2.900 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.335 -4.052 -0.417 1.00 0.00 C ATOM 0 H LEU A 91 -8.620 -0.913 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.938 -2.312 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.920 -1.861 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.338 -2.367 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.925 -4.710 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.793 -5.321 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.807 -4.320 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.417 -3.596 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.906 -5.048 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.535 -3.312 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.004 -3.847 0.419 1.00 0.00 H new ATOM 1363 N HIS A 92 -8.024 -4.583 -4.109 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.797 -5.792 -4.373 1.00 0.00 C ATOM 1365 C HIS A 92 -8.005 -7.037 -3.986 1.00 0.00 C ATOM 1366 O HIS A 92 -6.775 -7.043 -4.031 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.189 -5.860 -5.849 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.092 -4.747 -6.281 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.440 -4.715 -5.990 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.834 -3.619 -6.984 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.972 -3.617 -6.498 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -11.019 -2.935 -7.106 1.00 0.00 N ATOM 0 H HIS A 92 -7.105 -4.565 -4.552 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.702 -5.755 -3.767 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.285 -5.840 -6.458 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.682 -6.813 -6.042 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.875 -3.314 -7.376 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -13.010 -3.327 -6.428 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -11.143 -2.045 -7.588 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.719 -8.092 -3.606 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.083 -9.344 -3.211 1.00 0.00 C ATOM 1383 C VAL A 93 -9.044 -10.518 -3.359 1.00 0.00 C ATOM 1384 O VAL A 93 -10.032 -10.619 -2.632 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.581 -9.284 -1.757 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.042 -10.639 -1.322 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.520 -8.205 -1.603 1.00 0.00 C ATOM 0 H VAL A 93 -9.738 -8.105 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.231 -9.490 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.421 -9.029 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.692 -10.577 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.834 -11.385 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.214 -10.926 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.177 -8.177 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.678 -8.426 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.944 -7.237 -1.871 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.747 -11.405 -4.303 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.585 -12.572 -4.546 1.00 0.00 C ATOM 1399 C GLU A 94 -8.736 -13.832 -4.692 1.00 0.00 C ATOM 1400 O GLU A 94 -7.635 -13.789 -5.240 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.433 -12.367 -5.803 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.351 -11.159 -5.727 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.369 -11.129 -6.851 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.006 -10.712 -7.971 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -13.530 -11.522 -6.609 1.00 0.00 O ATOM 0 H GLU A 94 -7.932 -11.337 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.245 -12.697 -3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.772 -12.257 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.034 -13.260 -5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.872 -11.163 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.752 -10.249 -5.760 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.255 -14.950 -4.196 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.544 -16.221 -4.270 1.00 0.00 C ATOM 1414 C GLU A 95 -8.499 -16.736 -5.706 1.00 0.00 C ATOM 1415 O GLU A 95 -9.411 -16.489 -6.496 1.00 0.00 O ATOM 1416 CB GLU A 95 -9.211 -17.258 -3.365 1.00 0.00 C ATOM 1417 CG GLU A 95 -8.250 -18.304 -2.826 1.00 0.00 C ATOM 1418 CD GLU A 95 -8.729 -18.922 -1.527 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.002 -18.162 -0.575 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -8.831 -20.165 -1.463 1.00 0.00 O ATOM 0 H GLU A 95 -10.165 -15.002 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.522 -16.057 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.684 -16.746 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.004 -17.758 -3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.118 -19.089 -3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.273 -17.847 -2.668 1.00 0.00 H new