USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 555 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 12 CYS SG : rot -80:sc= -0.919 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.82 F(o=-1.4,f=-0.82) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -119:sc= 1.1 (180deg=-0.912) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0736 K(o=-0.074,f=-1.4) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0683 K(o=-0.068,f=-1.6!) USER MOD Single : A 71 GLN : amide:sc= -0.0657 X(o=-0.066,f=0) USER MOD Single : A 72 CYS SG : rot -128:sc= -1.41 USER MOD Single : A 76 CYS SG : rot 56:sc= -2.41 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 8 9.746 1.227 4.639 1.00 0.00 N ATOM 69 CA ILE A 8 8.508 1.965 4.860 1.00 0.00 C ATOM 70 C ILE A 8 7.440 1.065 5.473 1.00 0.00 C ATOM 71 O ILE A 8 6.727 0.359 4.761 1.00 0.00 O ATOM 72 CB ILE A 8 7.970 2.567 3.548 1.00 0.00 C ATOM 73 CG1 ILE A 8 9.062 3.374 2.844 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.754 3.441 3.823 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.838 3.526 1.355 1.00 0.00 C ATOM 0 HA ILE A 8 8.738 2.776 5.551 1.00 0.00 H new ATOM 0 HB ILE A 8 7.666 1.751 2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.120 4.364 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.024 2.890 3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.386 3.858 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.971 2.840 4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.033 4.251 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.651 4.109 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.810 2.541 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.892 4.038 1.180 1.00 0.00 H new ATOM 87 N ASP A 9 7.335 1.096 6.797 1.00 0.00 N ATOM 88 CA ASP A 9 6.354 0.282 7.505 1.00 0.00 C ATOM 89 C ASP A 9 5.138 1.114 7.897 1.00 0.00 C ATOM 90 O ASP A 9 5.049 2.296 7.566 1.00 0.00 O ATOM 91 CB ASP A 9 6.984 -0.343 8.751 1.00 0.00 C ATOM 92 CG ASP A 9 7.476 -1.756 8.503 1.00 0.00 C ATOM 93 OD1 ASP A 9 8.246 -1.955 7.540 1.00 0.00 O ATOM 94 OD2 ASP A 9 7.092 -2.662 9.271 1.00 0.00 O ATOM 0 H ASP A 9 7.917 1.676 7.401 1.00 0.00 H new ATOM 0 HA ASP A 9 6.026 -0.513 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.817 0.276 9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.252 -0.352 9.559 1.00 0.00 H new ATOM 99 N VAL A 10 4.203 0.490 8.605 1.00 0.00 N ATOM 100 CA VAL A 10 2.993 1.172 9.043 1.00 0.00 C ATOM 101 C VAL A 10 3.317 2.262 10.061 1.00 0.00 C ATOM 102 O VAL A 10 4.149 2.070 10.946 1.00 0.00 O ATOM 103 CB VAL A 10 1.981 0.188 9.660 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.677 0.897 9.994 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.731 -0.981 8.720 1.00 0.00 C ATOM 0 H VAL A 10 4.261 -0.488 8.888 1.00 0.00 H new ATOM 0 HA VAL A 10 2.547 1.626 8.158 1.00 0.00 H new ATOM 0 HB VAL A 10 2.404 -0.202 10.586 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.024 0.184 10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.871 1.697 10.708 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.249 1.318 9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.014 -1.665 9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.332 -0.610 7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.668 -1.507 8.536 1.00 0.00 H new ATOM 115 N GLY A 11 2.653 3.405 9.926 1.00 0.00 N ATOM 116 CA GLY A 11 2.886 4.508 10.838 1.00 0.00 C ATOM 117 C GLY A 11 4.112 5.318 10.469 1.00 0.00 C ATOM 118 O GLY A 11 4.860 5.757 11.342 1.00 0.00 O ATOM 0 H GLY A 11 1.958 3.587 9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.013 5.160 10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.002 4.120 11.850 1.00 0.00 H new ATOM 122 N CYS A 12 4.322 5.516 9.170 1.00 0.00 N ATOM 123 CA CYS A 12 5.469 6.279 8.692 1.00 0.00 C ATOM 124 C CYS A 12 5.053 7.263 7.599 1.00 0.00 C ATOM 125 O CYS A 12 4.241 6.934 6.734 1.00 0.00 O ATOM 126 CB CYS A 12 6.548 5.334 8.160 1.00 0.00 C ATOM 127 SG CYS A 12 8.226 5.762 8.682 1.00 0.00 S ATOM 0 H CYS A 12 3.714 5.159 8.433 1.00 0.00 H new ATOM 0 HA CYS A 12 5.872 6.846 9.531 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.323 4.320 8.491 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.508 5.330 7.071 1.00 0.00 H new ATOM 0 HG CYS A 12 8.680 6.725 7.936 1.00 0.00 H new ATOM 133 N PRO A 13 5.605 8.490 7.623 1.00 0.00 N ATOM 134 CA PRO A 13 5.285 9.518 6.629 1.00 0.00 C ATOM 135 C PRO A 13 5.956 9.253 5.286 1.00 0.00 C ATOM 136 O PRO A 13 7.183 9.220 5.190 1.00 0.00 O ATOM 137 CB PRO A 13 5.836 10.796 7.260 1.00 0.00 C ATOM 138 CG PRO A 13 6.969 10.335 8.109 1.00 0.00 C ATOM 139 CD PRO A 13 6.584 8.972 8.619 1.00 0.00 C ATOM 0 HA PRO A 13 4.218 9.559 6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.171 11.501 6.500 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.077 11.305 7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.893 10.288 7.533 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.143 11.025 8.935 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.448 8.310 8.685 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.147 9.026 9.616 1.00 0.00 H new ATOM 147 N VAL A 14 5.144 9.067 4.251 1.00 0.00 N ATOM 148 CA VAL A 14 5.660 8.806 2.913 1.00 0.00 C ATOM 149 C VAL A 14 4.780 9.450 1.847 1.00 0.00 C ATOM 150 O VAL A 14 3.553 9.413 1.937 1.00 0.00 O ATOM 151 CB VAL A 14 5.759 7.294 2.634 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.857 6.664 3.478 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.422 6.617 2.890 1.00 0.00 C ATOM 0 H VAL A 14 4.126 9.092 4.313 1.00 0.00 H new ATOM 0 HA VAL A 14 6.657 9.243 2.869 1.00 0.00 H new ATOM 0 HB VAL A 14 6.017 7.152 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.911 5.596 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.813 7.130 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.635 6.814 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.510 5.550 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.132 6.767 3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.664 7.049 2.236 1.00 0.00 H new ATOM 163 N LYS A 15 5.415 10.038 0.840 1.00 0.00 N ATOM 164 CA LYS A 15 4.691 10.691 -0.244 1.00 0.00 C ATOM 165 C LYS A 15 4.143 9.663 -1.231 1.00 0.00 C ATOM 166 O LYS A 15 4.885 8.828 -1.746 1.00 0.00 O ATOM 167 CB LYS A 15 5.603 11.679 -0.974 1.00 0.00 C ATOM 168 CG LYS A 15 6.419 12.557 -0.039 1.00 0.00 C ATOM 169 CD LYS A 15 7.334 13.493 -0.812 1.00 0.00 C ATOM 170 CE LYS A 15 8.219 14.304 0.120 1.00 0.00 C ATOM 171 NZ LYS A 15 8.464 15.677 -0.400 1.00 0.00 N ATOM 0 H LYS A 15 6.430 10.076 0.752 1.00 0.00 H new ATOM 0 HA LYS A 15 3.852 11.235 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.281 11.124 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.995 12.315 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.748 13.141 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.015 11.929 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.957 12.914 -1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.734 14.167 -1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.750 14.366 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.172 13.791 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.072 16.197 0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.934 15.619 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.557 16.176 -0.503 1.00 0.00 H new ATOM 185 N VAL A 16 2.841 9.734 -1.488 1.00 0.00 N ATOM 186 CA VAL A 16 2.194 8.810 -2.413 1.00 0.00 C ATOM 187 C VAL A 16 1.870 9.496 -3.735 1.00 0.00 C ATOM 188 O VAL A 16 1.407 10.637 -3.757 1.00 0.00 O ATOM 189 CB VAL A 16 0.896 8.232 -1.815 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.323 7.154 -2.723 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.147 7.686 -0.418 1.00 0.00 C ATOM 0 H VAL A 16 2.214 10.421 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 16 2.896 7.996 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 16 0.164 9.036 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.593 6.758 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.102 7.582 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.049 6.349 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.219 7.283 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.896 6.896 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.506 8.488 0.227 1.00 0.00 H new ATOM 201 N GLN A 17 2.116 8.795 -4.837 1.00 0.00 N ATOM 202 CA GLN A 17 1.849 9.336 -6.164 1.00 0.00 C ATOM 203 C GLN A 17 0.521 8.818 -6.706 1.00 0.00 C ATOM 204 O GLN A 17 0.380 7.630 -6.998 1.00 0.00 O ATOM 205 CB GLN A 17 2.983 8.972 -7.124 1.00 0.00 C ATOM 206 CG GLN A 17 3.145 9.953 -8.274 1.00 0.00 C ATOM 207 CD GLN A 17 4.388 9.685 -9.098 1.00 0.00 C ATOM 208 OE1 GLN A 17 5.043 10.750 -9.545 1.00 0.00 O flip ATOM 209 NE2 GLN A 17 4.758 8.534 -9.329 1.00 0.00 N flip ATOM 0 H GLN A 17 2.500 7.850 -4.837 1.00 0.00 H new ATOM 0 HA GLN A 17 1.788 10.421 -6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.918 8.921 -6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.799 7.977 -7.529 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.268 9.899 -8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.188 10.968 -7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.224 7.744 -8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.598 8.370 -9.884 1.00 0.00 H new ATOM 218 N LEU A 18 -0.450 9.716 -6.838 1.00 0.00 N ATOM 219 CA LEU A 18 -1.766 9.349 -7.347 1.00 0.00 C ATOM 220 C LEU A 18 -1.719 9.100 -8.850 1.00 0.00 C ATOM 221 O LEU A 18 -2.057 8.015 -9.321 1.00 0.00 O ATOM 222 CB LEU A 18 -2.782 10.449 -7.032 1.00 0.00 C ATOM 223 CG LEU A 18 -3.011 10.714 -5.543 1.00 0.00 C ATOM 224 CD1 LEU A 18 -4.045 11.812 -5.350 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.445 9.440 -4.836 1.00 0.00 C ATOM 0 H LEU A 18 -0.350 10.703 -6.600 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.074 8.427 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.450 11.374 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.735 10.183 -7.489 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.071 11.047 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.195 11.987 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.694 12.729 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.988 11.508 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.603 9.647 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.373 9.077 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.670 8.681 -4.945 1.00 0.00 H new ATOM 237 N ARG A 19 -1.297 10.115 -9.599 1.00 0.00 N ATOM 238 CA ARG A 19 -1.206 10.006 -11.051 1.00 0.00 C ATOM 239 C ARG A 19 0.110 9.358 -11.466 1.00 0.00 C ATOM 240 O ARG A 19 1.015 9.187 -10.649 1.00 0.00 O ATOM 241 CB ARG A 19 -1.333 11.389 -11.695 1.00 0.00 C ATOM 242 CG ARG A 19 -1.744 11.342 -13.157 1.00 0.00 C ATOM 243 CD ARG A 19 -2.587 12.549 -13.537 1.00 0.00 C ATOM 244 NE ARG A 19 -3.404 12.296 -14.722 1.00 0.00 N ATOM 245 CZ ARG A 19 -2.910 12.190 -15.953 1.00 0.00 C ATOM 246 NH1 ARG A 19 -1.606 12.317 -16.166 1.00 0.00 N ATOM 247 NH2 ARG A 19 -3.722 11.959 -16.976 1.00 0.00 N ATOM 0 H ARG A 19 -1.013 11.021 -9.225 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.025 9.375 -11.396 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.065 11.974 -11.139 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.379 11.909 -11.611 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.854 11.306 -13.785 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.307 10.429 -13.349 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.234 12.817 -12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.935 13.403 -13.722 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.411 12.195 -14.598 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.977 12.497 -15.384 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.233 12.235 -17.112 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.725 11.863 -16.819 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.343 11.878 -17.920 1.00 0.00 H new ATOM 261 N SER A 20 0.210 8.998 -12.742 1.00 0.00 N ATOM 262 CA SER A 20 1.416 8.367 -13.267 1.00 0.00 C ATOM 263 C SER A 20 2.493 9.410 -13.557 1.00 0.00 C ATOM 264 O SER A 20 2.930 9.566 -14.698 1.00 0.00 O ATOM 265 CB SER A 20 1.091 7.580 -14.537 1.00 0.00 C ATOM 266 OG SER A 20 -0.107 6.838 -14.386 1.00 0.00 O ATOM 0 H SER A 20 -0.530 9.132 -13.431 1.00 0.00 H new ATOM 0 HA SER A 20 1.798 7.680 -12.512 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.994 8.266 -15.378 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.914 6.904 -14.770 1.00 0.00 H new ATOM 0 HG SER A 20 -0.293 6.345 -15.212 1.00 0.00 H new ATOM 272 N GLY A 21 2.918 10.120 -12.516 1.00 0.00 N ATOM 273 CA GLY A 21 3.940 11.137 -12.680 1.00 0.00 C ATOM 274 C GLY A 21 3.369 12.541 -12.664 1.00 0.00 C ATOM 275 O GLY A 21 3.440 13.259 -13.661 1.00 0.00 O ATOM 0 H GLY A 21 2.573 10.009 -11.563 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.677 11.039 -11.883 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.464 10.972 -13.621 1.00 0.00 H new ATOM 279 N GLU A 22 2.801 12.934 -11.528 1.00 0.00 N ATOM 280 CA GLU A 22 2.216 14.263 -11.386 1.00 0.00 C ATOM 281 C GLU A 22 2.725 14.949 -10.122 1.00 0.00 C ATOM 282 O GLU A 22 3.437 15.950 -10.192 1.00 0.00 O ATOM 283 CB GLU A 22 0.689 14.169 -11.351 1.00 0.00 C ATOM 284 CG GLU A 22 -0.002 15.521 -11.286 1.00 0.00 C ATOM 285 CD GLU A 22 -1.431 15.422 -10.791 1.00 0.00 C ATOM 286 OE1 GLU A 22 -1.720 14.508 -9.992 1.00 0.00 O ATOM 287 OE2 GLU A 22 -2.262 16.260 -11.202 1.00 0.00 O ATOM 0 H GLU A 22 2.733 12.352 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 22 2.517 14.860 -12.247 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.346 13.637 -12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.389 13.575 -10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.562 16.182 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.005 15.976 -12.276 1.00 0.00 H new ATOM 294 N GLU A 23 2.355 14.403 -8.969 1.00 0.00 N ATOM 295 CA GLU A 23 2.774 14.962 -7.689 1.00 0.00 C ATOM 296 C GLU A 23 2.538 13.967 -6.557 1.00 0.00 C ATOM 297 O GLU A 23 1.450 13.407 -6.425 1.00 0.00 O ATOM 298 CB GLU A 23 2.021 16.264 -7.406 1.00 0.00 C ATOM 299 CG GLU A 23 2.801 17.512 -7.788 1.00 0.00 C ATOM 300 CD GLU A 23 1.986 18.477 -8.627 1.00 0.00 C ATOM 301 OE1 GLU A 23 0.762 18.576 -8.397 1.00 0.00 O ATOM 302 OE2 GLU A 23 2.572 19.136 -9.513 1.00 0.00 O ATOM 0 H GLU A 23 1.766 13.574 -8.894 1.00 0.00 H new ATOM 0 HA GLU A 23 3.842 15.173 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.077 16.254 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.776 16.309 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.136 18.018 -6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.695 17.222 -8.340 1.00 0.00 H new ATOM 309 N LYS A 24 3.567 13.750 -5.744 1.00 0.00 N ATOM 310 CA LYS A 24 3.472 12.822 -4.623 1.00 0.00 C ATOM 311 C LYS A 24 3.123 13.559 -3.334 1.00 0.00 C ATOM 312 O LYS A 24 3.930 14.325 -2.807 1.00 0.00 O ATOM 313 CB LYS A 24 4.790 12.065 -4.448 1.00 0.00 C ATOM 314 CG LYS A 24 5.121 11.143 -5.612 1.00 0.00 C ATOM 315 CD LYS A 24 5.743 9.841 -5.132 1.00 0.00 C ATOM 316 CE LYS A 24 6.563 9.178 -6.228 1.00 0.00 C ATOM 317 NZ LYS A 24 6.367 7.702 -6.250 1.00 0.00 N ATOM 0 H LYS A 24 4.475 14.204 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 24 2.676 12.110 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.599 12.785 -4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.743 11.477 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.214 10.928 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.808 11.646 -6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.379 10.037 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.958 9.161 -4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.283 9.596 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.619 9.402 -6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.276 7.228 -6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.687 7.431 -5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.001 7.414 -7.180 1.00 0.00 H new ATOM 331 N PHE A 25 1.917 13.322 -2.830 1.00 0.00 N ATOM 332 CA PHE A 25 1.462 13.963 -1.602 1.00 0.00 C ATOM 333 C PHE A 25 1.899 13.160 -0.378 1.00 0.00 C ATOM 334 O PHE A 25 1.840 11.930 -0.382 1.00 0.00 O ATOM 335 CB PHE A 25 -0.060 14.111 -1.613 1.00 0.00 C ATOM 336 CG PHE A 25 -0.573 14.956 -2.744 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.109 16.249 -2.924 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.515 14.456 -3.627 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.578 17.030 -3.964 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.988 15.232 -4.670 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.519 16.520 -4.838 1.00 0.00 C ATOM 0 H PHE A 25 1.237 12.691 -3.253 1.00 0.00 H new ATOM 0 HA PHE A 25 1.915 14.953 -1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.513 13.121 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.381 14.549 -0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.627 16.651 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.885 13.449 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.210 18.037 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.723 14.831 -5.352 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.887 17.128 -5.651 1.00 0.00 H new ATOM 351 N PRO A 26 2.347 13.845 0.690 1.00 0.00 N ATOM 352 CA PRO A 26 2.793 13.183 1.920 1.00 0.00 C ATOM 353 C PRO A 26 1.644 12.525 2.676 1.00 0.00 C ATOM 354 O PRO A 26 0.508 12.997 2.630 1.00 0.00 O ATOM 355 CB PRO A 26 3.391 14.326 2.744 1.00 0.00 C ATOM 356 CG PRO A 26 2.704 15.550 2.247 1.00 0.00 C ATOM 357 CD PRO A 26 2.450 15.313 0.784 1.00 0.00 C ATOM 0 HA PRO A 26 3.496 12.375 1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.217 14.179 3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.470 14.393 2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.770 15.719 2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.323 16.434 2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.535 15.802 0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.261 15.699 0.167 1.00 0.00 H new ATOM 365 N GLY A 27 1.948 11.433 3.369 1.00 0.00 N ATOM 366 CA GLY A 27 0.928 10.728 4.125 1.00 0.00 C ATOM 367 C GLY A 27 1.511 9.665 5.036 1.00 0.00 C ATOM 368 O GLY A 27 2.533 9.059 4.718 1.00 0.00 O ATOM 0 H GLY A 27 2.881 11.024 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.363 11.444 4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.224 10.264 3.434 1.00 0.00 H new ATOM 372 N VAL A 28 0.858 9.439 6.171 1.00 0.00 N ATOM 373 CA VAL A 28 1.315 8.442 7.131 1.00 0.00 C ATOM 374 C VAL A 28 0.722 7.070 6.824 1.00 0.00 C ATOM 375 O VAL A 28 -0.481 6.940 6.596 1.00 0.00 O ATOM 376 CB VAL A 28 0.947 8.844 8.574 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.562 8.951 8.735 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.529 7.853 9.572 1.00 0.00 C ATOM 0 H VAL A 28 0.010 9.933 6.448 1.00 0.00 H new ATOM 0 HA VAL A 28 2.400 8.390 7.044 1.00 0.00 H new ATOM 0 HB VAL A 28 1.379 9.824 8.777 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.799 9.236 9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.948 9.706 8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.021 7.988 8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.258 8.154 10.584 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.131 6.858 9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.615 7.836 9.477 1.00 0.00 H new ATOM 388 N VAL A 29 1.574 6.049 6.820 1.00 0.00 N ATOM 389 CA VAL A 29 1.133 4.688 6.540 1.00 0.00 C ATOM 390 C VAL A 29 0.207 4.174 7.637 1.00 0.00 C ATOM 391 O VAL A 29 0.479 4.348 8.825 1.00 0.00 O ATOM 392 CB VAL A 29 2.328 3.727 6.400 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.866 2.369 5.894 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.383 4.317 5.477 1.00 0.00 C ATOM 0 H VAL A 29 2.573 6.139 7.007 1.00 0.00 H new ATOM 0 HA VAL A 29 0.590 4.720 5.595 1.00 0.00 H new ATOM 0 HB VAL A 29 2.776 3.589 7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.725 1.704 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.151 1.943 6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.391 2.486 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.220 3.624 5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.950 4.488 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.737 5.263 5.887 1.00 0.00 H new ATOM 404 N ARG A 30 -0.889 3.541 7.231 1.00 0.00 N ATOM 405 CA ARG A 30 -1.857 3.003 8.181 1.00 0.00 C ATOM 406 C ARG A 30 -1.977 1.487 8.044 1.00 0.00 C ATOM 407 O ARG A 30 -2.158 0.777 9.033 1.00 0.00 O ATOM 408 CB ARG A 30 -3.225 3.654 7.972 1.00 0.00 C ATOM 409 CG ARG A 30 -3.170 5.170 7.875 1.00 0.00 C ATOM 410 CD ARG A 30 -2.583 5.790 9.134 1.00 0.00 C ATOM 411 NE ARG A 30 -3.475 6.789 9.719 1.00 0.00 N ATOM 412 CZ ARG A 30 -4.513 6.491 10.498 1.00 0.00 C ATOM 413 NH1 ARG A 30 -4.796 5.227 10.786 1.00 0.00 N ATOM 414 NH2 ARG A 30 -5.272 7.462 10.989 1.00 0.00 N ATOM 0 H ARG A 30 -1.129 3.388 6.252 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.502 3.230 9.186 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.672 3.256 7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.881 3.375 8.797 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.569 5.459 7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.174 5.561 7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.386 5.007 9.866 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.625 6.253 8.897 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.292 7.772 9.519 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.217 4.476 10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.593 5.006 11.383 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.060 8.435 10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.067 7.235 11.586 1.00 0.00 H new ATOM 428 N PHE A 31 -1.879 0.997 6.811 1.00 0.00 N ATOM 429 CA PHE A 31 -1.981 -0.434 6.548 1.00 0.00 C ATOM 430 C PHE A 31 -0.992 -0.861 5.469 1.00 0.00 C ATOM 431 O PHE A 31 -0.427 -0.025 4.764 1.00 0.00 O ATOM 432 CB PHE A 31 -3.406 -0.793 6.121 1.00 0.00 C ATOM 433 CG PHE A 31 -3.688 -2.268 6.156 1.00 0.00 C ATOM 434 CD1 PHE A 31 -3.905 -2.916 7.362 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.740 -3.005 4.984 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.166 -4.273 7.397 1.00 0.00 C ATOM 437 CE2 PHE A 31 -4.000 -4.362 5.014 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.214 -4.997 6.222 1.00 0.00 C ATOM 0 H PHE A 31 -1.729 1.569 5.980 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.738 -0.966 7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.113 -0.280 6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.579 -0.422 5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.870 -2.355 8.284 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.576 -2.514 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.332 -4.767 8.343 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.036 -4.926 4.093 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.418 -6.057 6.247 1.00 0.00 H new ATOM 448 N ARG A 32 -0.786 -2.168 5.346 1.00 0.00 N ATOM 449 CA ARG A 32 0.135 -2.709 4.353 1.00 0.00 C ATOM 450 C ARG A 32 -0.185 -4.171 4.054 1.00 0.00 C ATOM 451 O ARG A 32 -0.057 -5.033 4.923 1.00 0.00 O ATOM 452 CB ARG A 32 1.578 -2.579 4.841 1.00 0.00 C ATOM 453 CG ARG A 32 2.605 -3.100 3.848 1.00 0.00 C ATOM 454 CD ARG A 32 3.868 -3.575 4.550 1.00 0.00 C ATOM 455 NE ARG A 32 4.444 -4.752 3.903 1.00 0.00 N ATOM 456 CZ ARG A 32 5.703 -5.149 4.070 1.00 0.00 C ATOM 457 NH1 ARG A 32 6.522 -4.466 4.861 1.00 0.00 N ATOM 458 NH2 ARG A 32 6.146 -6.231 3.445 1.00 0.00 N ATOM 0 H ARG A 32 -1.245 -2.873 5.923 1.00 0.00 H new ATOM 0 HA ARG A 32 0.018 -2.135 3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.788 -1.531 5.052 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.685 -3.121 5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.175 -3.922 3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.857 -2.313 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.603 -2.770 4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.639 -3.808 5.590 1.00 0.00 H new ATOM 0 HE ARG A 32 3.845 -5.302 3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.187 -3.633 5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.486 -4.775 4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.522 -6.760 2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.111 -6.535 3.573 1.00 0.00 H new ATOM 472 N GLY A 33 -0.599 -4.440 2.821 1.00 0.00 N ATOM 473 CA GLY A 33 -0.928 -5.799 2.431 1.00 0.00 C ATOM 474 C GLY A 33 -1.461 -5.882 1.011 1.00 0.00 C ATOM 475 O GLY A 33 -2.154 -4.974 0.553 1.00 0.00 O ATOM 0 H GLY A 33 -0.713 -3.743 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.040 -6.424 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.671 -6.202 3.119 1.00 0.00 H new ATOM 479 N PRO A 34 -1.154 -6.971 0.283 1.00 0.00 N ATOM 480 CA PRO A 34 -1.616 -7.153 -1.097 1.00 0.00 C ATOM 481 C PRO A 34 -3.131 -7.034 -1.220 1.00 0.00 C ATOM 482 O PRO A 34 -3.811 -6.635 -0.275 1.00 0.00 O ATOM 483 CB PRO A 34 -1.164 -8.576 -1.444 1.00 0.00 C ATOM 484 CG PRO A 34 -0.026 -8.849 -0.524 1.00 0.00 C ATOM 485 CD PRO A 34 -0.333 -8.106 0.746 1.00 0.00 C ATOM 0 HA PRO A 34 -1.213 -6.390 -1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.971 -9.294 -1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.856 -8.650 -2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.076 -9.918 -0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.915 -8.510 -0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.874 -8.730 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.576 -7.769 1.245 1.00 0.00 H new ATOM 628 N ILE A 44 2.891 -6.415 -2.979 1.00 0.00 N ATOM 629 CA ILE A 44 2.307 -5.978 -1.717 1.00 0.00 C ATOM 630 C ILE A 44 1.912 -4.505 -1.775 1.00 0.00 C ATOM 631 O ILE A 44 2.715 -3.652 -2.155 1.00 0.00 O ATOM 632 CB ILE A 44 3.281 -6.189 -0.543 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.845 -7.611 -0.569 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.585 -5.912 0.783 1.00 0.00 C ATOM 635 CD1 ILE A 44 4.962 -7.837 0.427 1.00 0.00 C ATOM 0 HA ILE A 44 1.417 -6.585 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 44 4.109 -5.488 -0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.039 -8.316 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.213 -7.829 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.288 -6.066 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.229 -4.882 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.739 -6.590 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.313 -8.866 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.785 -7.156 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.593 -7.652 1.436 1.00 0.00 H new ATOM 647 N PHE A 45 0.673 -4.214 -1.395 1.00 0.00 N ATOM 648 CA PHE A 45 0.173 -2.844 -1.403 1.00 0.00 C ATOM 649 C PHE A 45 0.415 -2.170 -0.056 1.00 0.00 C ATOM 650 O PHE A 45 0.345 -2.813 0.991 1.00 0.00 O ATOM 651 CB PHE A 45 -1.319 -2.825 -1.738 1.00 0.00 C ATOM 652 CG PHE A 45 -1.608 -3.002 -3.201 1.00 0.00 C ATOM 653 CD1 PHE A 45 -1.278 -4.182 -3.848 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.209 -1.989 -3.931 1.00 0.00 C ATOM 655 CE1 PHE A 45 -1.542 -4.349 -5.193 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.475 -2.149 -5.277 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.142 -3.331 -5.910 1.00 0.00 C ATOM 0 H PHE A 45 -0.004 -4.908 -1.078 1.00 0.00 H new ATOM 0 HA PHE A 45 0.715 -2.289 -2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.819 -3.616 -1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.746 -1.880 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.808 -4.981 -3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.473 -1.063 -3.442 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.280 -5.274 -5.684 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.943 -1.351 -5.834 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.350 -3.459 -6.962 1.00 0.00 H new ATOM 667 N PHE A 46 0.700 -0.873 -0.092 1.00 0.00 N ATOM 668 CA PHE A 46 0.954 -0.113 1.126 1.00 0.00 C ATOM 669 C PHE A 46 -0.059 1.016 1.287 1.00 0.00 C ATOM 670 O PHE A 46 -0.208 1.862 0.405 1.00 0.00 O ATOM 671 CB PHE A 46 2.371 0.462 1.106 1.00 0.00 C ATOM 672 CG PHE A 46 3.441 -0.567 1.334 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.557 -1.663 0.496 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.332 -0.437 2.389 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.542 -2.611 0.704 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.317 -1.381 2.602 1.00 0.00 C ATOM 677 CZ PHE A 46 5.422 -2.470 1.758 1.00 0.00 C ATOM 0 H PHE A 46 0.761 -0.326 -0.951 1.00 0.00 H new ATOM 0 HA PHE A 46 0.853 -0.791 1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.544 0.947 0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.452 1.234 1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.870 -1.779 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.254 0.412 3.052 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.623 -3.461 0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.004 -1.268 3.427 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.191 -3.210 1.923 1.00 0.00 H new ATOM 687 N GLY A 47 -0.752 1.024 2.421 1.00 0.00 N ATOM 688 CA GLY A 47 -1.740 2.055 2.679 1.00 0.00 C ATOM 689 C GLY A 47 -1.133 3.286 3.324 1.00 0.00 C ATOM 690 O GLY A 47 -0.384 3.179 4.294 1.00 0.00 O ATOM 0 H GLY A 47 -0.647 0.335 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.220 2.338 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.519 1.654 3.328 1.00 0.00 H new ATOM 694 N VAL A 48 -1.455 4.456 2.782 1.00 0.00 N ATOM 695 CA VAL A 48 -0.934 5.710 3.310 1.00 0.00 C ATOM 696 C VAL A 48 -2.009 6.793 3.322 1.00 0.00 C ATOM 697 O VAL A 48 -2.649 7.056 2.304 1.00 0.00 O ATOM 698 CB VAL A 48 0.269 6.208 2.486 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.920 7.406 3.160 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.276 5.087 2.284 1.00 0.00 C ATOM 0 H VAL A 48 -2.074 4.561 1.978 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.611 5.512 4.332 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.090 6.524 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.767 7.743 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.193 8.214 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.266 7.121 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.119 5.456 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.631 4.738 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.801 4.262 1.753 1.00 0.00 H new ATOM 710 N GLU A 49 -2.199 7.417 4.479 1.00 0.00 N ATOM 711 CA GLU A 49 -3.196 8.472 4.624 1.00 0.00 C ATOM 712 C GLU A 49 -2.617 9.823 4.216 1.00 0.00 C ATOM 713 O GLU A 49 -1.678 10.320 4.837 1.00 0.00 O ATOM 714 CB GLU A 49 -3.699 8.534 6.067 1.00 0.00 C ATOM 715 CG GLU A 49 -4.816 9.543 6.279 1.00 0.00 C ATOM 716 CD GLU A 49 -5.712 9.182 7.449 1.00 0.00 C ATOM 717 OE1 GLU A 49 -6.061 7.990 7.583 1.00 0.00 O ATOM 718 OE2 GLU A 49 -6.064 10.091 8.228 1.00 0.00 O ATOM 0 H GLU A 49 -1.676 7.211 5.330 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.034 8.240 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.052 7.546 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.865 8.784 6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.383 10.529 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.417 9.610 5.372 1.00 0.00 H new ATOM 725 N LEU A 50 -3.184 10.411 3.167 1.00 0.00 N ATOM 726 CA LEU A 50 -2.724 11.705 2.674 1.00 0.00 C ATOM 727 C LEU A 50 -2.759 12.759 3.776 1.00 0.00 C ATOM 728 O LEU A 50 -3.688 12.797 4.583 1.00 0.00 O ATOM 729 CB LEU A 50 -3.583 12.158 1.492 1.00 0.00 C ATOM 730 CG LEU A 50 -3.644 11.176 0.321 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.675 11.628 -0.702 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.275 11.034 -0.328 1.00 0.00 C ATOM 0 H LEU A 50 -3.962 10.012 2.642 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.692 11.590 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.597 12.338 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.199 13.111 1.128 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.946 10.202 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.704 10.917 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.657 11.678 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.404 12.613 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.337 10.332 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.945 12.005 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.560 10.664 0.407 1.00 0.00 H new ATOM 744 N LEU A 51 -1.740 13.611 3.804 1.00 0.00 N ATOM 745 CA LEU A 51 -1.651 14.667 4.806 1.00 0.00 C ATOM 746 C LEU A 51 -2.383 15.922 4.339 1.00 0.00 C ATOM 747 O LEU A 51 -2.951 15.952 3.249 1.00 0.00 O ATOM 748 CB LEU A 51 -0.184 14.995 5.101 1.00 0.00 C ATOM 749 CG LEU A 51 0.389 14.318 6.350 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.742 13.692 6.048 1.00 0.00 C ATOM 751 CD2 LEU A 51 0.505 15.316 7.492 1.00 0.00 C ATOM 0 H LEU A 51 -0.963 13.591 3.143 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.127 14.310 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.418 14.706 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.083 16.075 5.212 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.294 13.525 6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.132 13.216 6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.630 12.945 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.435 14.465 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.914 14.817 8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.166 16.131 7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.481 15.716 7.728 1.00 0.00 H new ATOM 763 N GLU A 52 -2.366 16.956 5.176 1.00 0.00 N ATOM 764 CA GLU A 52 -3.028 18.216 4.853 1.00 0.00 C ATOM 765 C GLU A 52 -2.595 18.732 3.483 1.00 0.00 C ATOM 766 O GLU A 52 -3.358 19.410 2.795 1.00 0.00 O ATOM 767 CB GLU A 52 -2.724 19.264 5.924 1.00 0.00 C ATOM 768 CG GLU A 52 -1.246 19.607 6.036 1.00 0.00 C ATOM 769 CD GLU A 52 -1.007 20.941 6.714 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.653 21.933 6.316 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.173 20.995 7.643 1.00 0.00 O ATOM 0 H GLU A 52 -1.901 16.946 6.084 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.102 18.032 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.284 20.172 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.078 18.900 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.736 18.823 6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.805 19.626 5.040 1.00 0.00 H new ATOM 778 N GLU A 53 -1.367 18.405 3.094 1.00 0.00 N ATOM 779 CA GLU A 53 -0.834 18.835 1.807 1.00 0.00 C ATOM 780 C GLU A 53 -1.684 18.299 0.660 1.00 0.00 C ATOM 781 O GLU A 53 -2.109 19.053 -0.216 1.00 0.00 O ATOM 782 CB GLU A 53 0.614 18.366 1.648 1.00 0.00 C ATOM 783 CG GLU A 53 1.523 19.401 1.005 1.00 0.00 C ATOM 784 CD GLU A 53 2.671 19.812 1.906 1.00 0.00 C ATOM 785 OE1 GLU A 53 3.388 18.917 2.401 1.00 0.00 O ATOM 786 OE2 GLU A 53 2.853 21.030 2.118 1.00 0.00 O ATOM 0 H GLU A 53 -0.723 17.844 3.651 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.861 19.924 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.012 18.105 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.629 17.458 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.923 18.999 0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.937 20.282 0.746 1.00 0.00 H new ATOM 793 N GLY A 54 -1.931 16.994 0.672 1.00 0.00 N ATOM 794 CA GLY A 54 -2.731 16.377 -0.370 1.00 0.00 C ATOM 795 C GLY A 54 -3.944 15.655 0.182 1.00 0.00 C ATOM 796 O GLY A 54 -4.307 14.582 -0.297 1.00 0.00 O ATOM 0 H GLY A 54 -1.591 16.351 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.057 17.142 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.115 15.672 -0.928 1.00 0.00 H new ATOM 800 N ARG A 55 -4.571 16.248 1.193 1.00 0.00 N ATOM 801 CA ARG A 55 -5.751 15.656 1.814 1.00 0.00 C ATOM 802 C ARG A 55 -6.984 15.852 0.938 1.00 0.00 C ATOM 803 O ARG A 55 -7.241 16.951 0.447 1.00 0.00 O ATOM 804 CB ARG A 55 -5.986 16.270 3.196 1.00 0.00 C ATOM 805 CG ARG A 55 -6.327 15.247 4.266 1.00 0.00 C ATOM 806 CD ARG A 55 -5.853 15.699 5.638 1.00 0.00 C ATOM 807 NE ARG A 55 -6.421 14.884 6.710 1.00 0.00 N ATOM 808 CZ ARG A 55 -5.976 14.893 7.964 1.00 0.00 C ATOM 809 NH1 ARG A 55 -4.956 15.671 8.307 1.00 0.00 N ATOM 810 NH2 ARG A 55 -6.550 14.123 8.878 1.00 0.00 N ATOM 0 H ARG A 55 -4.282 17.138 1.600 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.576 14.586 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.092 16.816 3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.796 16.997 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.405 15.086 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.866 14.291 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.765 15.647 5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.129 16.742 5.791 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.205 14.272 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.510 16.265 7.608 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.618 15.675 9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.333 13.523 8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.208 14.131 9.839 1.00 0.00 H new ATOM 824 N GLY A 56 -7.747 14.780 0.749 1.00 0.00 N ATOM 825 CA GLY A 56 -8.945 14.855 -0.065 1.00 0.00 C ATOM 826 C GLY A 56 -8.750 14.264 -1.449 1.00 0.00 C ATOM 827 O GLY A 56 -9.472 14.609 -2.384 1.00 0.00 O ATOM 0 H GLY A 56 -7.556 13.860 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.756 14.329 0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.251 15.897 -0.159 1.00 0.00 H new ATOM 831 N GLN A 57 -7.773 13.372 -1.580 1.00 0.00 N ATOM 832 CA GLN A 57 -7.488 12.734 -2.860 1.00 0.00 C ATOM 833 C GLN A 57 -7.383 11.221 -2.700 1.00 0.00 C ATOM 834 O GLN A 57 -6.466 10.592 -3.229 1.00 0.00 O ATOM 835 CB GLN A 57 -6.191 13.289 -3.454 1.00 0.00 C ATOM 836 CG GLN A 57 -6.131 14.809 -3.472 1.00 0.00 C ATOM 837 CD GLN A 57 -6.393 15.386 -4.849 1.00 0.00 C ATOM 838 OE1 GLN A 57 -7.437 15.137 -5.451 1.00 0.00 O ATOM 839 NE2 GLN A 57 -5.443 16.163 -5.355 1.00 0.00 N ATOM 0 H GLN A 57 -7.166 13.075 -0.816 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.312 12.953 -3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.346 12.907 -2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.079 12.917 -4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.864 15.206 -2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.150 15.134 -3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.593 16.343 -4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.563 16.580 -6.278 1.00 0.00 H new ATOM 848 N GLY A 58 -8.328 10.641 -1.967 1.00 0.00 N ATOM 849 CA GLY A 58 -8.324 9.207 -1.750 1.00 0.00 C ATOM 850 C GLY A 58 -9.423 8.499 -2.518 1.00 0.00 C ATOM 851 O GLY A 58 -10.495 9.063 -2.742 1.00 0.00 O ATOM 0 H GLY A 58 -9.097 11.140 -1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.357 8.801 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.441 9.004 -0.685 1.00 0.00 H new ATOM 855 N PHE A 59 -9.159 7.262 -2.924 1.00 0.00 N ATOM 856 CA PHE A 59 -10.134 6.477 -3.671 1.00 0.00 C ATOM 857 C PHE A 59 -10.674 5.330 -2.823 1.00 0.00 C ATOM 858 O PHE A 59 -11.885 5.116 -2.750 1.00 0.00 O ATOM 859 CB PHE A 59 -9.503 5.925 -4.951 1.00 0.00 C ATOM 860 CG PHE A 59 -8.226 5.169 -4.713 1.00 0.00 C ATOM 861 CD1 PHE A 59 -7.010 5.831 -4.672 1.00 0.00 C ATOM 862 CD2 PHE A 59 -8.244 3.794 -4.534 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.835 5.138 -4.454 1.00 0.00 C ATOM 864 CE2 PHE A 59 -7.072 3.096 -4.315 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.866 3.769 -4.275 1.00 0.00 C ATOM 0 H PHE A 59 -8.277 6.781 -2.748 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.964 7.132 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.218 5.267 -5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.305 6.751 -5.634 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.980 6.901 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.184 3.263 -4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.893 5.666 -4.424 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.098 2.025 -4.175 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.949 3.225 -4.104 1.00 0.00 H new ATOM 875 N THR A 60 -9.770 4.594 -2.185 1.00 0.00 N ATOM 876 CA THR A 60 -10.158 3.469 -1.342 1.00 0.00 C ATOM 877 C THR A 60 -10.952 3.943 -0.130 1.00 0.00 C ATOM 878 O THR A 60 -11.978 3.359 0.218 1.00 0.00 O ATOM 879 CB THR A 60 -8.918 2.696 -0.885 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.279 1.647 -0.004 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.898 3.560 -0.175 1.00 0.00 C ATOM 0 H THR A 60 -8.764 4.756 -2.236 1.00 0.00 H new ATOM 0 HA THR A 60 -10.793 2.808 -1.932 1.00 0.00 H new ATOM 0 HB THR A 60 -8.467 2.309 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.474 1.163 0.276 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.046 2.948 0.121 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.561 4.351 -0.845 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.351 4.004 0.711 1.00 0.00 H new ATOM 889 N ASP A 61 -10.473 5.006 0.509 1.00 0.00 N ATOM 890 CA ASP A 61 -11.140 5.559 1.682 1.00 0.00 C ATOM 891 C ASP A 61 -11.285 4.507 2.777 1.00 0.00 C ATOM 892 O ASP A 61 -12.235 4.538 3.560 1.00 0.00 O ATOM 893 CB ASP A 61 -12.517 6.107 1.301 1.00 0.00 C ATOM 894 CG ASP A 61 -13.029 7.130 2.296 1.00 0.00 C ATOM 895 OD1 ASP A 61 -12.531 7.144 3.441 1.00 0.00 O ATOM 896 OD2 ASP A 61 -13.928 7.915 1.931 1.00 0.00 O ATOM 0 H ASP A 61 -9.625 5.502 0.234 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.525 6.373 2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.463 6.562 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.227 5.283 1.234 1.00 0.00 H new ATOM 901 N GLY A 62 -10.338 3.576 2.827 1.00 0.00 N ATOM 902 CA GLY A 62 -10.379 2.528 3.829 1.00 0.00 C ATOM 903 C GLY A 62 -11.003 1.250 3.304 1.00 0.00 C ATOM 904 O GLY A 62 -10.681 0.157 3.772 1.00 0.00 O ATOM 0 H GLY A 62 -9.542 3.529 2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.366 2.319 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.945 2.877 4.693 1.00 0.00 H new ATOM 908 N VAL A 63 -11.898 1.385 2.332 1.00 0.00 N ATOM 909 CA VAL A 63 -12.569 0.233 1.743 1.00 0.00 C ATOM 910 C VAL A 63 -12.158 0.045 0.285 1.00 0.00 C ATOM 911 O VAL A 63 -12.279 0.961 -0.527 1.00 0.00 O ATOM 912 CB VAL A 63 -14.102 0.373 1.824 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.573 1.589 1.040 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.784 -0.892 1.322 1.00 0.00 C ATOM 0 H VAL A 63 -12.176 2.282 1.935 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.264 -0.641 2.318 1.00 0.00 H new ATOM 0 HB VAL A 63 -14.378 0.516 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.658 1.669 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.115 2.488 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.284 1.482 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.865 -0.773 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.501 -1.071 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.475 -1.739 1.934 1.00 0.00 H new ATOM 924 N TYR A 64 -11.670 -1.150 -0.038 1.00 0.00 N ATOM 925 CA TYR A 64 -11.241 -1.456 -1.398 1.00 0.00 C ATOM 926 C TYR A 64 -12.178 -2.470 -2.049 1.00 0.00 C ATOM 927 O TYR A 64 -12.199 -3.642 -1.673 1.00 0.00 O ATOM 928 CB TYR A 64 -9.810 -1.997 -1.393 1.00 0.00 C ATOM 929 CG TYR A 64 -9.222 -2.166 -2.775 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.395 -3.348 -3.485 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.494 -1.144 -3.372 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.858 -3.508 -4.748 1.00 0.00 C ATOM 933 CE2 TYR A 64 -7.955 -1.295 -4.635 1.00 0.00 C ATOM 934 CZ TYR A 64 -8.140 -2.478 -5.319 1.00 0.00 C ATOM 935 OH TYR A 64 -7.604 -2.633 -6.577 1.00 0.00 O ATOM 0 H TYR A 64 -11.562 -1.920 0.622 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.272 -0.534 -1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.177 -1.321 -0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.796 -2.959 -0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.959 -4.156 -3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.347 -0.216 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.000 -4.434 -5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.392 -0.491 -5.084 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.129 -1.815 -6.833 1.00 0.00 H new ATOM 945 N GLN A 65 -12.948 -2.010 -3.030 1.00 0.00 N ATOM 946 CA GLN A 65 -13.886 -2.876 -3.736 1.00 0.00 C ATOM 947 C GLN A 65 -14.890 -3.500 -2.771 1.00 0.00 C ATOM 948 O GLN A 65 -15.397 -4.595 -3.012 1.00 0.00 O ATOM 949 CB GLN A 65 -13.132 -3.974 -4.488 1.00 0.00 C ATOM 950 CG GLN A 65 -12.437 -3.483 -5.747 1.00 0.00 C ATOM 951 CD GLN A 65 -11.618 -4.565 -6.420 1.00 0.00 C ATOM 952 OE1 GLN A 65 -11.069 -5.447 -5.759 1.00 0.00 O ATOM 953 NE2 GLN A 65 -11.530 -4.504 -7.743 1.00 0.00 N ATOM 0 H GLN A 65 -12.941 -1.043 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.434 -2.264 -4.453 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.390 -4.415 -3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.832 -4.766 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.184 -3.109 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.788 -2.644 -5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.001 -3.756 -8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.991 -5.205 -8.251 1.00 0.00 H new ATOM 962 N GLY A 66 -15.170 -2.798 -1.677 1.00 0.00 N ATOM 963 CA GLY A 66 -16.111 -3.302 -0.695 1.00 0.00 C ATOM 964 C GLY A 66 -15.430 -4.074 0.418 1.00 0.00 C ATOM 965 O GLY A 66 -16.049 -4.922 1.061 1.00 0.00 O ATOM 0 H GLY A 66 -14.762 -1.890 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.667 -2.468 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.837 -3.948 -1.190 1.00 0.00 H new ATOM 969 N LYS A 67 -14.154 -3.781 0.646 1.00 0.00 N ATOM 970 CA LYS A 67 -13.390 -4.455 1.690 1.00 0.00 C ATOM 971 C LYS A 67 -12.642 -3.444 2.552 1.00 0.00 C ATOM 972 O LYS A 67 -11.684 -2.817 2.100 1.00 0.00 O ATOM 973 CB LYS A 67 -12.404 -5.444 1.070 1.00 0.00 C ATOM 974 CG LYS A 67 -11.767 -6.384 2.081 1.00 0.00 C ATOM 975 CD LYS A 67 -12.625 -7.617 2.312 1.00 0.00 C ATOM 976 CE LYS A 67 -12.477 -8.141 3.732 1.00 0.00 C ATOM 977 NZ LYS A 67 -12.509 -9.629 3.780 1.00 0.00 N ATOM 0 H LYS A 67 -13.627 -3.082 0.122 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.089 -5.000 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.922 -6.034 0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.618 -4.888 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.781 -6.686 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.620 -5.859 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.670 -7.375 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.342 -8.396 1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.538 -7.784 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.279 -7.740 4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.405 -9.947 4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.415 -9.969 3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.729 -10.012 3.209 1.00 0.00 H new ATOM 991 N GLN A 68 -13.085 -3.292 3.795 1.00 0.00 N ATOM 992 CA GLN A 68 -12.457 -2.359 4.722 1.00 0.00 C ATOM 993 C GLN A 68 -11.085 -2.864 5.158 1.00 0.00 C ATOM 994 O GLN A 68 -10.964 -3.580 6.152 1.00 0.00 O ATOM 995 CB GLN A 68 -13.348 -2.146 5.946 1.00 0.00 C ATOM 996 CG GLN A 68 -13.207 -0.767 6.570 1.00 0.00 C ATOM 997 CD GLN A 68 -13.983 0.296 5.817 1.00 0.00 C ATOM 998 OE1 GLN A 68 -15.033 0.020 5.238 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.467 1.519 5.820 1.00 0.00 N ATOM 0 H GLN A 68 -13.877 -3.803 4.184 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.326 -1.407 4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.388 -2.301 5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.108 -2.901 6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.555 -0.802 7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.153 -0.491 6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.593 1.703 6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.944 2.275 5.329 1.00 0.00 H new ATOM 1008 N LEU A 69 -10.055 -2.486 4.407 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.692 -2.900 4.717 1.00 0.00 C ATOM 1010 C LEU A 69 -8.143 -2.119 5.906 1.00 0.00 C ATOM 1011 O LEU A 69 -7.321 -2.626 6.669 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.788 -2.702 3.499 1.00 0.00 C ATOM 1013 CG LEU A 69 -8.112 -3.592 2.299 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -7.759 -2.887 1.000 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.375 -4.918 2.406 1.00 0.00 C ATOM 0 H LEU A 69 -10.139 -1.894 3.580 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.710 -3.958 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.850 -1.660 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.756 -2.884 3.799 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.183 -3.793 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.997 -3.536 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.333 -1.964 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.694 -2.655 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.617 -5.539 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.301 -4.736 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.678 -5.430 3.319 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.601 -0.880 6.057 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.155 -0.028 7.153 1.00 0.00 C ATOM 1029 C PHE A 70 -9.121 1.132 7.369 1.00 0.00 C ATOM 1030 O PHE A 70 -9.983 1.398 6.532 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.747 0.505 6.873 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.683 1.468 5.720 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -7.063 1.072 4.447 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.243 2.767 5.910 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -7.007 1.956 3.386 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.184 3.655 4.853 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.566 3.249 3.589 1.00 0.00 C ATOM 0 H PHE A 70 -9.281 -0.444 5.434 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.132 -0.629 8.062 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.370 0.999 7.769 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.084 -0.336 6.670 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.407 0.061 4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.942 3.090 6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.308 1.636 2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.840 4.666 5.015 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.520 3.941 2.761 1.00 0.00 H new ATOM 1047 N GLN A 71 -8.972 1.818 8.497 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.832 2.950 8.822 1.00 0.00 C ATOM 1049 C GLN A 71 -9.105 4.271 8.587 1.00 0.00 C ATOM 1050 O GLN A 71 -8.076 4.544 9.205 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.299 2.860 10.277 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.791 3.096 10.452 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.612 1.848 10.191 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -12.759 0.995 11.065 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -13.153 1.737 8.984 1.00 0.00 N ATOM 0 H GLN A 71 -8.264 1.610 9.201 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.702 2.915 8.166 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.046 1.876 10.671 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.752 3.591 10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.983 3.448 11.466 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.112 3.887 9.774 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.005 2.469 8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.717 0.920 8.751 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.647 5.087 7.689 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.051 6.379 7.371 1.00 0.00 C ATOM 1066 C CYS A 72 -10.127 7.421 7.088 1.00 0.00 C ATOM 1067 O CYS A 72 -11.318 7.110 7.076 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.119 6.251 6.164 1.00 0.00 C ATOM 1069 SG CYS A 72 -8.851 5.384 4.756 1.00 0.00 S ATOM 0 H CYS A 72 -10.498 4.876 7.168 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.473 6.706 8.235 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -7.816 7.248 5.845 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -7.215 5.725 6.471 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.054 4.433 4.370 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.700 8.659 6.861 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.627 9.748 6.577 1.00 0.00 C ATOM 1077 C ASP A 73 -11.223 9.605 5.180 1.00 0.00 C ATOM 1078 O ASP A 73 -10.855 8.704 4.427 1.00 0.00 O ATOM 1079 CB ASP A 73 -9.918 11.096 6.706 1.00 0.00 C ATOM 1080 CG ASP A 73 -10.002 11.662 8.111 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -9.349 11.102 9.016 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -10.719 12.665 8.305 1.00 0.00 O ATOM 0 H ASP A 73 -8.717 8.933 6.868 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.437 9.701 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.871 10.981 6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.360 11.804 6.005 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.143 10.500 4.840 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.789 10.475 3.533 1.00 0.00 C ATOM 1089 C GLU A 74 -11.852 11.004 2.453 1.00 0.00 C ATOM 1090 O GLU A 74 -11.410 12.151 2.507 1.00 0.00 O ATOM 1091 CB GLU A 74 -14.074 11.304 3.559 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.892 11.199 2.282 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.113 10.315 2.442 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -15.942 9.120 2.766 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -17.239 10.815 2.241 1.00 0.00 O ATOM 0 H GLU A 74 -12.459 11.253 5.452 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.037 9.440 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.687 10.982 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.819 12.349 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.208 12.196 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.264 10.803 1.484 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.552 10.159 1.471 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.667 10.541 0.377 1.00 0.00 C ATOM 1104 C ASP A 75 -9.282 10.909 0.900 1.00 0.00 C ATOM 1105 O ASP A 75 -8.633 11.818 0.383 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.262 11.718 -0.399 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.107 11.267 -1.576 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.840 10.267 -1.431 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -12.035 11.914 -2.641 1.00 0.00 O ATOM 0 H ASP A 75 -11.909 9.205 1.411 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.567 9.686 -0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.872 12.321 0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.456 12.358 -0.758 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.834 10.195 1.927 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.526 10.446 2.521 1.00 0.00 C ATOM 1116 C CYS A 76 -6.623 9.223 2.389 1.00 0.00 C ATOM 1117 O CYS A 76 -5.424 9.351 2.137 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.677 10.827 3.995 1.00 0.00 C ATOM 1119 SG CYS A 76 -8.403 12.461 4.265 1.00 0.00 S ATOM 0 H CYS A 76 -9.358 9.437 2.366 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.064 11.275 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.297 10.080 4.491 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.696 10.794 4.470 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.554 12.529 3.665 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.204 8.042 2.562 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.435 6.814 2.460 1.00 0.00 C ATOM 1127 C GLY A 77 -6.186 6.404 1.022 1.00 0.00 C ATOM 1128 O GLY A 77 -7.021 6.638 0.148 1.00 0.00 O ATOM 0 H GLY A 77 -8.194 7.912 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.480 6.944 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.964 6.013 2.976 1.00 0.00 H new ATOM 1132 N VAL A 78 -5.033 5.789 0.776 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.675 5.343 -0.566 1.00 0.00 C ATOM 1134 C VAL A 78 -3.602 4.260 -0.516 1.00 0.00 C ATOM 1135 O VAL A 78 -2.615 4.383 0.208 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.167 6.513 -1.431 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.325 7.394 -1.872 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -3.127 7.325 -0.673 1.00 0.00 C ATOM 0 H VAL A 78 -4.331 5.588 1.488 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.580 4.935 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.694 6.103 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.946 8.214 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.030 6.803 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.830 7.797 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.780 8.147 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.572 7.726 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.284 6.685 -0.414 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.802 3.200 -1.293 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.851 2.095 -1.338 1.00 0.00 C ATOM 1150 C PHE A 79 -1.898 2.246 -2.519 1.00 0.00 C ATOM 1151 O PHE A 79 -2.309 2.623 -3.616 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.591 0.760 -1.432 1.00 0.00 C ATOM 1153 CG PHE A 79 -4.139 0.281 -0.117 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -3.286 -0.128 0.896 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.506 0.240 0.104 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.788 -0.568 2.107 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -6.013 -0.200 1.311 1.00 0.00 C ATOM 1158 CZ PHE A 79 -5.154 -0.604 2.314 1.00 0.00 C ATOM 0 H PHE A 79 -4.614 3.083 -1.900 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.267 2.114 -0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.411 0.858 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.912 0.005 -1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.218 -0.103 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.183 0.556 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.114 -0.883 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -7.081 -0.228 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.549 -0.948 3.259 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.624 1.949 -2.286 1.00 0.00 N ATOM 1169 CA VAL A 80 0.388 2.052 -3.332 1.00 0.00 C ATOM 1170 C VAL A 80 1.579 1.148 -3.035 1.00 0.00 C ATOM 1171 O VAL A 80 1.727 0.644 -1.923 1.00 0.00 O ATOM 1172 CB VAL A 80 0.885 3.501 -3.492 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.235 4.397 -4.002 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.439 4.024 -2.177 1.00 0.00 C ATOM 0 H VAL A 80 -0.268 1.635 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.084 1.733 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 80 1.690 3.510 -4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.135 5.417 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.580 4.033 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.063 4.384 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.785 5.049 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.657 4.001 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.273 3.398 -1.859 1.00 0.00 H new ATOM 1184 N ALA A 81 2.426 0.946 -4.040 1.00 0.00 N ATOM 1185 CA ALA A 81 3.605 0.101 -3.888 1.00 0.00 C ATOM 1186 C ALA A 81 4.783 0.893 -3.333 1.00 0.00 C ATOM 1187 O ALA A 81 4.772 2.125 -3.333 1.00 0.00 O ATOM 1188 CB ALA A 81 3.974 -0.534 -5.221 1.00 0.00 C ATOM 0 H ALA A 81 2.318 1.356 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 81 3.365 -0.688 -3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.856 -1.162 -5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.143 -1.143 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.188 0.248 -5.950 1.00 0.00 H new ATOM 1194 N LEU A 82 5.800 0.179 -2.859 1.00 0.00 N ATOM 1195 CA LEU A 82 6.990 0.814 -2.301 1.00 0.00 C ATOM 1196 C LEU A 82 7.564 1.840 -3.273 1.00 0.00 C ATOM 1197 O LEU A 82 7.822 2.985 -2.902 1.00 0.00 O ATOM 1198 CB LEU A 82 8.048 -0.240 -1.969 1.00 0.00 C ATOM 1199 CG LEU A 82 9.040 0.158 -0.875 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.373 0.115 0.491 1.00 0.00 C ATOM 1201 CD2 LEU A 82 10.258 -0.752 -0.904 1.00 0.00 C ATOM 0 H LEU A 82 5.824 -0.841 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 82 6.702 1.329 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.542 -1.156 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.606 -0.471 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 82 9.370 1.180 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.094 0.401 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.532 0.808 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.015 -0.895 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.953 -0.454 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.946 -1.783 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.749 -0.671 -1.874 1.00 0.00 H new ATOM 1213 N ASP A 83 7.757 1.420 -4.519 1.00 0.00 N ATOM 1214 CA ASP A 83 8.295 2.303 -5.547 1.00 0.00 C ATOM 1215 C ASP A 83 7.425 3.546 -5.697 1.00 0.00 C ATOM 1216 O ASP A 83 7.908 4.613 -6.077 1.00 0.00 O ATOM 1217 CB ASP A 83 8.390 1.566 -6.885 1.00 0.00 C ATOM 1218 CG ASP A 83 7.113 0.825 -7.229 1.00 0.00 C ATOM 1219 OD1 ASP A 83 6.134 1.486 -7.635 1.00 0.00 O ATOM 1220 OD2 ASP A 83 7.092 -0.417 -7.094 1.00 0.00 O ATOM 0 H ASP A 83 7.549 0.475 -4.841 1.00 0.00 H new ATOM 0 HA ASP A 83 9.295 2.613 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.616 2.282 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.219 0.859 -6.849 1.00 0.00 H new ATOM 1225 N LYS A 84 6.138 3.401 -5.392 1.00 0.00 N ATOM 1226 CA LYS A 84 5.201 4.513 -5.488 1.00 0.00 C ATOM 1227 C LYS A 84 5.318 5.428 -4.272 1.00 0.00 C ATOM 1228 O LYS A 84 4.990 6.613 -4.342 1.00 0.00 O ATOM 1229 CB LYS A 84 3.768 3.993 -5.614 1.00 0.00 C ATOM 1230 CG LYS A 84 3.495 3.278 -6.928 1.00 0.00 C ATOM 1231 CD LYS A 84 2.859 4.208 -7.947 1.00 0.00 C ATOM 1232 CE LYS A 84 3.072 3.708 -9.367 1.00 0.00 C ATOM 1233 NZ LYS A 84 3.188 4.831 -10.339 1.00 0.00 N ATOM 0 H LYS A 84 5.722 2.525 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 84 5.449 5.089 -6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.564 3.311 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.076 4.830 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.428 2.882 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.837 2.427 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.791 4.293 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.283 5.207 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.975 3.099 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.241 3.064 -9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.332 4.449 -11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.316 5.398 -10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.997 5.432 -10.081 1.00 0.00 H new ATOM 1247 N LEU A 85 5.787 4.872 -3.158 1.00 0.00 N ATOM 1248 CA LEU A 85 5.946 5.642 -1.929 1.00 0.00 C ATOM 1249 C LEU A 85 7.276 6.387 -1.923 1.00 0.00 C ATOM 1250 O LEU A 85 8.202 6.030 -2.651 1.00 0.00 O ATOM 1251 CB LEU A 85 5.858 4.722 -0.710 1.00 0.00 C ATOM 1252 CG LEU A 85 4.462 4.171 -0.413 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.495 3.260 0.805 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.475 5.310 -0.203 1.00 0.00 C ATOM 0 H LEU A 85 6.063 3.893 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 85 5.140 6.374 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.539 3.884 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.210 5.269 0.165 1.00 0.00 H new ATOM 0 HG LEU A 85 4.133 3.584 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.493 2.878 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.171 2.426 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.844 3.823 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.487 4.901 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.800 5.923 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.430 5.923 -1.103 1.00 0.00 H new ATOM 1266 N GLU A 86 7.364 7.423 -1.095 1.00 0.00 N ATOM 1267 CA GLU A 86 8.582 8.219 -0.994 1.00 0.00 C ATOM 1268 C GLU A 86 8.837 8.639 0.450 1.00 0.00 C ATOM 1269 O GLU A 86 8.217 9.576 0.954 1.00 0.00 O ATOM 1270 CB GLU A 86 8.484 9.455 -1.892 1.00 0.00 C ATOM 1271 CG GLU A 86 9.296 9.341 -3.171 1.00 0.00 C ATOM 1272 CD GLU A 86 10.557 10.183 -3.140 1.00 0.00 C ATOM 1273 OE1 GLU A 86 11.522 9.782 -2.455 1.00 0.00 O ATOM 1274 OE2 GLU A 86 10.579 11.245 -3.798 1.00 0.00 O ATOM 0 H GLU A 86 6.607 7.731 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 86 9.419 7.605 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.439 9.626 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.822 10.328 -1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.565 8.297 -3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.680 9.647 -4.016 1.00 0.00 H new ATOM 1281 N LEU A 87 9.755 7.940 1.110 1.00 0.00 N ATOM 1282 CA LEU A 87 10.093 8.239 2.497 1.00 0.00 C ATOM 1283 C LEU A 87 10.613 9.666 2.637 1.00 0.00 C ATOM 1284 O LEU A 87 11.317 10.169 1.761 1.00 0.00 O ATOM 1285 CB LEU A 87 11.141 7.250 3.013 1.00 0.00 C ATOM 1286 CG LEU A 87 11.160 7.061 4.530 1.00 0.00 C ATOM 1287 CD1 LEU A 87 9.980 6.213 4.978 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.472 6.428 4.970 1.00 0.00 C ATOM 0 H LEU A 87 10.278 7.163 0.707 1.00 0.00 H new ATOM 0 HA LEU A 87 9.186 8.143 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.967 6.282 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.126 7.588 2.692 1.00 0.00 H new ATOM 0 HG LEU A 87 11.075 8.040 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.011 6.090 6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.050 6.706 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.032 5.235 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.469 6.300 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.586 5.456 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.302 7.074 4.683 1.00 0.00 H new ATOM 1300 N ILE A 88 10.262 10.312 3.744 1.00 0.00 N ATOM 1301 CA ILE A 88 10.693 11.680 4.001 1.00 0.00 C ATOM 1302 C ILE A 88 11.665 11.738 5.174 1.00 0.00 C ATOM 1303 O ILE A 88 11.559 10.958 6.120 1.00 0.00 O ATOM 1304 CB ILE A 88 9.495 12.602 4.297 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.408 12.418 3.237 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.945 14.053 4.358 1.00 0.00 C ATOM 1307 CD1 ILE A 88 7.060 12.968 3.653 1.00 0.00 C ATOM 0 H ILE A 88 9.680 9.909 4.478 1.00 0.00 H new ATOM 0 HA ILE A 88 11.194 12.028 3.098 1.00 0.00 H new ATOM 0 HB ILE A 88 9.078 12.332 5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.723 12.908 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.305 11.356 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 88 9.087 14.692 4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.687 14.171 5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.384 14.338 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.337 12.803 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.723 12.461 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.148 14.037 3.848 1.00 0.00 H new