USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 SER OG : rot -117:sc= -1.24 USER MOD Set 1.2: A 65 HIS : no HD1:sc= -3.9! C(o=-5.1!,f=-3.8!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.896 K(o=-0.9,f=-0.064) USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00527 USER MOD Single : A 21 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.073) USER MOD Single : A 33 GLN : amide:sc=-0.00121 K(o=-0.0012,f=-1.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.946 USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0332) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -135:sc= -2.4 (180deg=-3.51) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -57:sc= 0.0105 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.782 3.082 -0.528 1.00 0.00 N ATOM 98 CA LYS A 4 5.411 2.981 -0.041 1.00 0.00 C ATOM 99 C LYS A 4 4.673 1.834 -0.724 1.00 0.00 C ATOM 100 O LYS A 4 5.115 1.326 -1.755 1.00 0.00 O ATOM 101 CB LYS A 4 4.666 4.295 -0.280 1.00 0.00 C ATOM 102 CG LYS A 4 5.417 5.519 0.213 1.00 0.00 C ATOM 103 CD LYS A 4 4.589 6.784 0.054 1.00 0.00 C ATOM 104 CE LYS A 4 5.416 8.030 0.331 1.00 0.00 C ATOM 105 NZ LYS A 4 6.120 8.511 -0.890 1.00 0.00 N ATOM 0 HA LYS A 4 5.446 2.780 1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.472 4.404 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.697 4.249 0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.682 5.386 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.350 5.622 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.186 6.831 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.739 6.752 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.767 8.819 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.147 7.815 1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.673 9.361 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.758 7.767 -1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.422 8.741 -1.626 1.00 0.00 H new ATOM 119 N LEU A 5 3.548 1.432 -0.144 1.00 0.00 N ATOM 120 CA LEU A 5 2.748 0.345 -0.697 1.00 0.00 C ATOM 121 C LEU A 5 1.435 0.872 -1.268 1.00 0.00 C ATOM 122 O LEU A 5 0.793 1.739 -0.674 1.00 0.00 O ATOM 123 CB LEU A 5 2.466 -0.706 0.377 1.00 0.00 C ATOM 124 CG LEU A 5 3.659 -1.125 1.237 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.199 -1.972 2.413 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.679 -1.883 0.398 1.00 0.00 C ATOM 0 H LEU A 5 3.169 1.842 0.709 1.00 0.00 H new ATOM 0 HA LEU A 5 3.316 -0.116 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.686 -0.323 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.065 -1.595 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 5 4.135 -0.226 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.062 -2.260 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.506 -1.397 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.699 -2.867 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.522 -2.174 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.214 -2.775 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.032 -1.243 -0.411 1.00 0.00 H new ATOM 138 N TYR A 6 1.040 0.341 -2.419 1.00 0.00 N ATOM 139 CA TYR A 6 -0.196 0.758 -3.069 1.00 0.00 C ATOM 140 C TYR A 6 -1.350 -0.164 -2.686 1.00 0.00 C ATOM 141 O TYR A 6 -1.285 -1.377 -2.891 1.00 0.00 O ATOM 142 CB TYR A 6 -0.021 0.769 -4.589 1.00 0.00 C ATOM 143 CG TYR A 6 -1.315 0.593 -5.350 1.00 0.00 C ATOM 144 CD1 TYR A 6 -1.849 -0.671 -5.569 1.00 0.00 C ATOM 145 CD2 TYR A 6 -2.004 1.691 -5.850 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.030 -0.837 -6.264 1.00 0.00 C ATOM 147 CE2 TYR A 6 -3.188 1.534 -6.545 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.697 0.269 -6.750 1.00 0.00 C ATOM 149 OH TYR A 6 -4.874 0.109 -7.443 1.00 0.00 O ATOM 0 H TYR A 6 1.558 -0.380 -2.922 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.432 1.767 -2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.440 1.711 -4.886 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.668 -0.026 -4.872 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.331 -1.539 -5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.608 2.683 -5.693 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.430 -1.827 -6.427 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.712 2.398 -6.926 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.215 0.986 -7.715 1.00 0.00 H new ATOM 159 N ILE A 7 -2.406 0.420 -2.131 1.00 0.00 N ATOM 160 CA ILE A 7 -3.576 -0.347 -1.721 1.00 0.00 C ATOM 161 C ILE A 7 -4.717 -0.186 -2.720 1.00 0.00 C ATOM 162 O ILE A 7 -5.172 0.927 -2.984 1.00 0.00 O ATOM 163 CB ILE A 7 -4.068 0.077 -0.325 1.00 0.00 C ATOM 164 CG1 ILE A 7 -2.878 0.289 0.615 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.019 -0.966 0.242 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.281 0.681 2.020 1.00 0.00 C ATOM 0 H ILE A 7 -2.476 1.422 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.270 -1.393 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.608 1.019 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.290 -0.628 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.232 1.063 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.358 -0.651 1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.879 -1.073 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.503 -1.923 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.388 0.815 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.843 1.614 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.902 -0.103 2.452 1.00 0.00 H new ATOM 178 N GLY A 8 -5.176 -1.305 -3.272 1.00 0.00 N ATOM 179 CA GLY A 8 -6.262 -1.266 -4.234 1.00 0.00 C ATOM 180 C GLY A 8 -7.516 -1.948 -3.722 1.00 0.00 C ATOM 181 O GLY A 8 -7.485 -2.629 -2.697 1.00 0.00 O ATOM 0 H GLY A 8 -4.815 -2.238 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.490 -0.228 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.942 -1.747 -5.158 1.00 0.00 H new ATOM 185 N ASN A 9 -8.622 -1.763 -4.434 1.00 0.00 N ATOM 186 CA ASN A 9 -9.892 -2.364 -4.045 1.00 0.00 C ATOM 187 C ASN A 9 -10.418 -1.737 -2.757 1.00 0.00 C ATOM 188 O ASN A 9 -10.846 -2.440 -1.841 1.00 0.00 O ATOM 189 CB ASN A 9 -9.731 -3.874 -3.861 1.00 0.00 C ATOM 190 CG ASN A 9 -11.005 -4.634 -4.176 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.195 -5.114 -5.294 1.00 0.00 O ATOM 192 ND2 ASN A 9 -11.885 -4.747 -3.188 1.00 0.00 N ATOM 0 H ASN A 9 -8.665 -1.201 -5.284 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.613 -2.177 -4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.929 -4.232 -4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.432 -4.082 -2.834 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.761 -5.248 -3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.685 -4.333 -2.277 1.00 0.00 H new ATOM 199 N LEU A 10 -10.384 -0.410 -2.695 1.00 0.00 N ATOM 200 CA LEU A 10 -10.857 0.313 -1.520 1.00 0.00 C ATOM 201 C LEU A 10 -12.173 1.027 -1.813 1.00 0.00 C ATOM 202 O LEU A 10 -12.207 2.003 -2.561 1.00 0.00 O ATOM 203 CB LEU A 10 -9.806 1.324 -1.060 1.00 0.00 C ATOM 204 CG LEU A 10 -8.549 0.740 -0.414 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.536 1.838 -0.128 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.904 -0.006 0.864 1.00 0.00 C ATOM 0 H LEU A 10 -10.034 0.187 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.027 -0.411 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.504 1.921 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.273 2.005 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.100 0.033 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.648 1.403 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.258 2.329 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.974 2.570 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.998 -0.415 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.377 0.680 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.592 -0.818 0.632 1.00 0.00 H new ATOM 218 N SER A 11 -13.253 0.533 -1.217 1.00 0.00 N ATOM 219 CA SER A 11 -14.573 1.123 -1.416 1.00 0.00 C ATOM 220 C SER A 11 -14.520 2.639 -1.251 1.00 0.00 C ATOM 221 O SER A 11 -13.651 3.185 -0.571 1.00 0.00 O ATOM 222 CB SER A 11 -15.576 0.526 -0.428 1.00 0.00 C ATOM 223 OG SER A 11 -15.605 1.267 0.779 1.00 0.00 O ATOM 0 H SER A 11 -13.241 -0.274 -0.593 1.00 0.00 H new ATOM 0 HA SER A 11 -14.896 0.896 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.570 0.515 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.310 -0.510 -0.216 1.00 0.00 H new ATOM 0 HG SER A 11 -15.313 0.696 1.520 1.00 0.00 H new ATOM 229 N PRO A 12 -15.472 3.336 -1.890 1.00 0.00 N ATOM 230 CA PRO A 12 -15.557 4.799 -1.829 1.00 0.00 C ATOM 231 C PRO A 12 -15.977 5.298 -0.451 1.00 0.00 C ATOM 232 O PRO A 12 -16.043 6.503 -0.211 1.00 0.00 O ATOM 233 CB PRO A 12 -16.629 5.134 -2.870 1.00 0.00 C ATOM 234 CG PRO A 12 -17.469 3.907 -2.956 1.00 0.00 C ATOM 235 CD PRO A 12 -16.539 2.750 -2.718 1.00 0.00 C ATOM 0 HA PRO A 12 -14.594 5.273 -2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.220 5.998 -2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.182 5.377 -3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.265 3.927 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.947 3.829 -3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.041 1.930 -2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.148 2.350 -3.653 1.00 0.00 H new ATOM 243 N ALA A 13 -16.258 4.364 0.452 1.00 0.00 N ATOM 244 CA ALA A 13 -16.670 4.711 1.807 1.00 0.00 C ATOM 245 C ALA A 13 -15.506 4.578 2.784 1.00 0.00 C ATOM 246 O ALA A 13 -15.575 5.058 3.915 1.00 0.00 O ATOM 247 CB ALA A 13 -17.832 3.833 2.247 1.00 0.00 C ATOM 0 H ALA A 13 -16.208 3.362 0.270 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.995 5.751 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.129 4.103 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.675 3.979 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.526 2.787 2.225 1.00 0.00 H new ATOM 253 N VAL A 14 -14.437 3.925 2.340 1.00 0.00 N ATOM 254 CA VAL A 14 -13.258 3.730 3.174 1.00 0.00 C ATOM 255 C VAL A 14 -12.681 5.066 3.630 1.00 0.00 C ATOM 256 O VAL A 14 -12.701 6.049 2.889 1.00 0.00 O ATOM 257 CB VAL A 14 -12.167 2.939 2.429 1.00 0.00 C ATOM 258 CG1 VAL A 14 -10.951 2.734 3.322 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.713 1.605 1.946 1.00 0.00 C ATOM 0 H VAL A 14 -14.364 3.522 1.406 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.578 3.159 4.046 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.856 3.516 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.191 2.173 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.547 3.703 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.244 2.179 4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.929 1.059 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.053 1.020 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.549 1.778 1.269 1.00 0.00 H new ATOM 269 N THR A 15 -12.164 5.095 4.855 1.00 0.00 N ATOM 270 CA THR A 15 -11.581 6.309 5.410 1.00 0.00 C ATOM 271 C THR A 15 -10.185 6.047 5.960 1.00 0.00 C ATOM 272 O THR A 15 -9.850 4.918 6.320 1.00 0.00 O ATOM 273 CB THR A 15 -12.461 6.893 6.532 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.912 5.844 7.396 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.659 7.629 5.951 1.00 0.00 C ATOM 0 H THR A 15 -12.138 4.290 5.481 1.00 0.00 H new ATOM 0 HA THR A 15 -11.518 7.030 4.595 1.00 0.00 H new ATOM 0 HB THR A 15 -11.861 7.601 7.104 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.469 6.223 8.108 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.266 8.033 6.761 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.312 8.444 5.316 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.258 6.938 5.359 1.00 0.00 H new ATOM 283 N ALA A 16 -9.371 7.096 6.023 1.00 0.00 N ATOM 284 CA ALA A 16 -8.010 6.978 6.533 1.00 0.00 C ATOM 285 C ALA A 16 -7.999 6.377 7.934 1.00 0.00 C ATOM 286 O ALA A 16 -7.142 5.555 8.261 1.00 0.00 O ATOM 287 CB ALA A 16 -7.329 8.338 6.535 1.00 0.00 C ATOM 0 H ALA A 16 -9.630 8.037 5.727 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.458 6.308 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.314 8.236 6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.296 8.730 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.889 9.024 7.170 1.00 0.00 H new ATOM 293 N ASP A 17 -8.954 6.790 8.758 1.00 0.00 N ATOM 294 CA ASP A 17 -9.054 6.292 10.126 1.00 0.00 C ATOM 295 C ASP A 17 -9.242 4.778 10.139 1.00 0.00 C ATOM 296 O ASP A 17 -8.657 4.078 10.966 1.00 0.00 O ATOM 297 CB ASP A 17 -10.216 6.969 10.855 1.00 0.00 C ATOM 298 CG ASP A 17 -9.829 8.312 11.441 1.00 0.00 C ATOM 299 OD1 ASP A 17 -9.113 8.328 12.465 1.00 0.00 O ATOM 300 OD2 ASP A 17 -10.240 9.347 10.876 1.00 0.00 O ATOM 0 H ASP A 17 -9.671 7.469 8.503 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.124 6.530 10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.046 7.104 10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.570 6.316 11.653 1.00 0.00 H new ATOM 305 N ASP A 18 -10.060 4.280 9.220 1.00 0.00 N ATOM 306 CA ASP A 18 -10.325 2.849 9.125 1.00 0.00 C ATOM 307 C ASP A 18 -9.067 2.090 8.714 1.00 0.00 C ATOM 308 O ASP A 18 -8.780 1.013 9.238 1.00 0.00 O ATOM 309 CB ASP A 18 -11.448 2.581 8.123 1.00 0.00 C ATOM 310 CG ASP A 18 -12.821 2.861 8.703 1.00 0.00 C ATOM 311 OD1 ASP A 18 -12.978 3.897 9.383 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.739 2.046 8.476 1.00 0.00 O ATOM 0 H ASP A 18 -10.552 4.846 8.529 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.636 2.496 10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.297 3.200 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.400 1.542 7.797 1.00 0.00 H new ATOM 317 N LEU A 19 -8.322 2.658 7.773 1.00 0.00 N ATOM 318 CA LEU A 19 -7.095 2.034 7.289 1.00 0.00 C ATOM 319 C LEU A 19 -6.066 1.916 8.409 1.00 0.00 C ATOM 320 O LEU A 19 -5.466 0.859 8.606 1.00 0.00 O ATOM 321 CB LEU A 19 -6.511 2.842 6.129 1.00 0.00 C ATOM 322 CG LEU A 19 -6.941 2.409 4.727 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.224 3.235 3.670 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.670 0.926 4.520 1.00 0.00 C ATOM 0 H LEU A 19 -8.545 3.549 7.330 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.341 1.032 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.787 3.888 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.424 2.789 6.187 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.013 2.580 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.542 2.913 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.468 4.289 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.147 3.096 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.982 0.636 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.604 0.731 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.229 0.348 5.256 1.00 0.00 H new ATOM 336 N ARG A 20 -5.869 3.006 9.142 1.00 0.00 N ATOM 337 CA ARG A 20 -4.913 3.025 10.244 1.00 0.00 C ATOM 338 C ARG A 20 -5.317 2.032 11.329 1.00 0.00 C ATOM 339 O ARG A 20 -4.484 1.285 11.841 1.00 0.00 O ATOM 340 CB ARG A 20 -4.813 4.431 10.836 1.00 0.00 C ATOM 341 CG ARG A 20 -4.156 5.438 9.905 1.00 0.00 C ATOM 342 CD ARG A 20 -4.450 6.867 10.334 1.00 0.00 C ATOM 343 NE ARG A 20 -3.391 7.789 9.932 1.00 0.00 N ATOM 344 CZ ARG A 20 -3.172 8.959 10.520 1.00 0.00 C ATOM 345 NH1 ARG A 20 -3.935 9.349 11.531 1.00 0.00 N ATOM 346 NH2 ARG A 20 -2.188 9.742 10.096 1.00 0.00 N ATOM 0 H ARG A 20 -6.358 3.888 8.993 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.938 2.734 9.853 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.814 4.782 11.089 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.247 4.385 11.766 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.078 5.275 9.893 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.513 5.282 8.887 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.396 7.189 9.898 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.570 6.903 11.417 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.786 7.519 9.156 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.692 8.750 11.859 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.765 10.248 11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.599 9.445 9.318 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.020 10.641 10.548 1.00 0.00 H new ATOM 360 N GLN A 21 -6.601 2.031 11.676 1.00 0.00 N ATOM 361 CA GLN A 21 -7.113 1.130 12.702 1.00 0.00 C ATOM 362 C GLN A 21 -7.063 -0.319 12.229 1.00 0.00 C ATOM 363 O GLN A 21 -6.882 -1.238 13.028 1.00 0.00 O ATOM 364 CB GLN A 21 -8.549 1.509 13.071 1.00 0.00 C ATOM 365 CG GLN A 21 -8.639 2.542 14.183 1.00 0.00 C ATOM 366 CD GLN A 21 -7.671 3.693 13.990 1.00 0.00 C ATOM 367 OE1 GLN A 21 -7.976 4.667 13.301 1.00 0.00 O ATOM 368 NE2 GLN A 21 -6.495 3.587 14.598 1.00 0.00 N ATOM 0 H GLN A 21 -7.304 2.643 11.262 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.480 1.227 13.584 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.053 1.896 12.185 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.086 0.611 13.376 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.656 2.932 14.230 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.438 2.059 15.139 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.284 2.762 15.160 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.803 4.330 14.503 1.00 0.00 H new ATOM 377 N LEU A 22 -7.226 -0.516 10.926 1.00 0.00 N ATOM 378 CA LEU A 22 -7.200 -1.855 10.345 1.00 0.00 C ATOM 379 C LEU A 22 -5.827 -2.496 10.516 1.00 0.00 C ATOM 380 O LEU A 22 -5.714 -3.638 10.961 1.00 0.00 O ATOM 381 CB LEU A 22 -7.567 -1.797 8.862 1.00 0.00 C ATOM 382 CG LEU A 22 -7.822 -3.141 8.179 1.00 0.00 C ATOM 383 CD1 LEU A 22 -9.185 -3.689 8.573 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.717 -3.001 6.668 1.00 0.00 C ATOM 0 H LEU A 22 -7.378 0.234 10.251 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.934 -2.466 10.870 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.460 -1.182 8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.763 -1.288 8.329 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.060 -3.846 8.511 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.350 -4.646 8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.223 -3.829 9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.961 -2.986 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.901 -3.968 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.456 -2.281 6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.718 -2.654 6.403 1.00 0.00 H new ATOM 396 N PHE A 23 -4.784 -1.752 10.163 1.00 0.00 N ATOM 397 CA PHE A 23 -3.417 -2.247 10.279 1.00 0.00 C ATOM 398 C PHE A 23 -3.046 -2.482 11.740 1.00 0.00 C ATOM 399 O PHE A 23 -2.393 -3.470 12.074 1.00 0.00 O ATOM 400 CB PHE A 23 -2.438 -1.255 9.645 1.00 0.00 C ATOM 401 CG PHE A 23 -2.288 -1.427 8.161 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.358 -1.201 7.312 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.075 -1.816 7.614 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.224 -1.358 5.945 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.934 -1.974 6.249 1.00 0.00 C ATOM 406 CZ PHE A 23 -2.010 -1.745 5.413 1.00 0.00 C ATOM 0 H PHE A 23 -4.859 -0.804 9.794 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.355 -3.198 9.750 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.776 -0.240 9.853 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.462 -1.368 10.116 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.310 -0.898 7.723 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.231 -1.998 8.262 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.067 -1.178 5.295 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.017 -2.276 5.835 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.902 -1.868 4.346 1.00 0.00 H new ATOM 416 N GLY A 24 -3.466 -1.565 12.606 1.00 0.00 N ATOM 417 CA GLY A 24 -3.169 -1.691 14.021 1.00 0.00 C ATOM 418 C GLY A 24 -3.764 -2.945 14.630 1.00 0.00 C ATOM 419 O GLY A 24 -3.163 -3.561 15.511 1.00 0.00 O ATOM 0 H GLY A 24 -4.006 -0.738 12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.088 -1.700 14.163 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.552 -0.818 14.549 1.00 0.00 H new ATOM 423 N ASP A 25 -4.948 -3.324 14.162 1.00 0.00 N ATOM 424 CA ASP A 25 -5.624 -4.513 14.667 1.00 0.00 C ATOM 425 C ASP A 25 -4.775 -5.760 14.440 1.00 0.00 C ATOM 426 O ASP A 25 -4.730 -6.654 15.285 1.00 0.00 O ATOM 427 CB ASP A 25 -6.985 -4.678 13.988 1.00 0.00 C ATOM 428 CG ASP A 25 -7.873 -5.677 14.706 1.00 0.00 C ATOM 429 OD1 ASP A 25 -7.329 -6.569 15.389 1.00 0.00 O ATOM 430 OD2 ASP A 25 -9.110 -5.565 14.583 1.00 0.00 O ATOM 0 H ASP A 25 -5.459 -2.825 13.434 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.773 -4.388 15.739 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.488 -3.712 13.949 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.837 -5.002 12.958 1.00 0.00 H new ATOM 435 N ARG A 26 -4.103 -5.810 13.295 1.00 0.00 N ATOM 436 CA ARG A 26 -3.256 -6.948 12.955 1.00 0.00 C ATOM 437 C ARG A 26 -1.858 -6.780 13.543 1.00 0.00 C ATOM 438 O ARG A 26 -0.905 -7.419 13.098 1.00 0.00 O ATOM 439 CB ARG A 26 -3.168 -7.111 11.437 1.00 0.00 C ATOM 440 CG ARG A 26 -4.246 -8.012 10.856 1.00 0.00 C ATOM 441 CD ARG A 26 -5.616 -7.357 10.927 1.00 0.00 C ATOM 442 NE ARG A 26 -6.303 -7.654 12.181 1.00 0.00 N ATOM 443 CZ ARG A 26 -6.713 -8.869 12.523 1.00 0.00 C ATOM 444 NH1 ARG A 26 -6.508 -9.896 11.710 1.00 0.00 N ATOM 445 NH2 ARG A 26 -7.330 -9.061 13.683 1.00 0.00 N ATOM 0 H ARG A 26 -4.128 -5.076 12.587 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.706 -7.844 13.383 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.238 -6.128 10.970 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.190 -7.517 11.180 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.006 -8.246 9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.264 -8.957 11.400 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.507 -6.278 10.821 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.225 -7.700 10.091 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.477 -6.886 12.829 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.034 -9.754 10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.825 -10.828 11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.489 -8.274 14.312 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.645 -9.995 13.945 1.00 0.00 H new ATOM 459 N LYS A 27 -1.744 -5.915 14.545 1.00 0.00 N ATOM 460 CA LYS A 27 -0.463 -5.663 15.195 1.00 0.00 C ATOM 461 C LYS A 27 0.562 -5.139 14.193 1.00 0.00 C ATOM 462 O LYS A 27 1.736 -5.507 14.242 1.00 0.00 O ATOM 463 CB LYS A 27 0.059 -6.940 15.854 1.00 0.00 C ATOM 464 CG LYS A 27 -0.397 -7.113 17.293 1.00 0.00 C ATOM 465 CD LYS A 27 0.240 -6.080 18.207 1.00 0.00 C ATOM 466 CE LYS A 27 -0.232 -6.241 19.644 1.00 0.00 C ATOM 467 NZ LYS A 27 0.276 -7.500 20.256 1.00 0.00 N ATOM 0 H LYS A 27 -2.523 -5.377 14.925 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.617 -4.904 15.962 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.271 -7.800 15.271 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.149 -6.934 15.825 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.482 -7.026 17.345 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.140 -8.114 17.639 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.325 -6.176 18.166 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.005 -5.079 17.853 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.104 -5.389 20.234 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.322 -6.238 19.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.063 -7.502 21.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.185 -8.316 19.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.305 -7.563 20.117 1.00 0.00 H new ATOM 481 N LEU A 28 0.109 -4.280 13.286 1.00 0.00 N ATOM 482 CA LEU A 28 0.987 -3.704 12.273 1.00 0.00 C ATOM 483 C LEU A 28 0.998 -2.182 12.363 1.00 0.00 C ATOM 484 O LEU A 28 0.326 -1.486 11.601 1.00 0.00 O ATOM 485 CB LEU A 28 0.543 -4.142 10.877 1.00 0.00 C ATOM 486 CG LEU A 28 0.587 -5.644 10.598 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.302 -5.994 9.414 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.018 -6.097 10.345 1.00 0.00 C ATOM 0 H LEU A 28 -0.860 -3.967 13.231 1.00 0.00 H new ATOM 0 HA LEU A 28 1.999 -4.066 12.456 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.477 -3.793 10.716 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.172 -3.638 10.143 1.00 0.00 H new ATOM 0 HG LEU A 28 0.210 -6.169 11.476 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.258 -7.068 9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.330 -5.705 9.633 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.044 -5.460 8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.031 -7.169 10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.421 -5.565 9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.628 -5.882 11.222 1.00 0.00 H new ATOM 500 N PRO A 29 1.779 -1.649 13.314 1.00 0.00 N ATOM 501 CA PRO A 29 1.898 -0.204 13.524 1.00 0.00 C ATOM 502 C PRO A 29 2.645 0.487 12.388 1.00 0.00 C ATOM 503 O PRO A 29 3.853 0.314 12.228 1.00 0.00 O ATOM 504 CB PRO A 29 2.694 -0.099 14.827 1.00 0.00 C ATOM 505 CG PRO A 29 3.470 -1.369 14.901 1.00 0.00 C ATOM 506 CD PRO A 29 2.607 -2.419 14.258 1.00 0.00 C ATOM 0 HA PRO A 29 0.924 0.283 13.563 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.354 0.768 14.819 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.033 0.012 15.687 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.423 -1.275 14.381 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.696 -1.629 15.935 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.205 -3.172 13.746 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.996 -2.943 14.993 1.00 0.00 H new ATOM 514 N LEU A 30 1.917 1.271 11.599 1.00 0.00 N ATOM 515 CA LEU A 30 2.510 1.989 10.477 1.00 0.00 C ATOM 516 C LEU A 30 3.488 3.053 10.967 1.00 0.00 C ATOM 517 O LEU A 30 3.083 4.137 11.388 1.00 0.00 O ATOM 518 CB LEU A 30 1.417 2.639 9.626 1.00 0.00 C ATOM 519 CG LEU A 30 0.313 1.706 9.127 1.00 0.00 C ATOM 520 CD1 LEU A 30 -0.939 2.498 8.781 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.793 0.911 7.921 1.00 0.00 C ATOM 0 H LEU A 30 0.916 1.425 11.716 1.00 0.00 H new ATOM 0 HA LEU A 30 3.058 1.271 9.867 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.956 3.436 10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.888 3.108 8.762 1.00 0.00 H new ATOM 0 HG LEU A 30 0.066 1.006 9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.714 1.818 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.294 3.023 9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.707 3.221 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.005 0.252 7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.067 1.596 7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.661 0.314 8.201 1.00 0.00 H new ATOM 533 N ALA A 31 4.777 2.737 10.909 1.00 0.00 N ATOM 534 CA ALA A 31 5.813 3.666 11.342 1.00 0.00 C ATOM 535 C ALA A 31 6.147 4.669 10.242 1.00 0.00 C ATOM 536 O ALA A 31 7.304 5.046 10.063 1.00 0.00 O ATOM 537 CB ALA A 31 7.062 2.906 11.763 1.00 0.00 C ATOM 0 H ALA A 31 5.129 1.843 10.566 1.00 0.00 H new ATOM 0 HA ALA A 31 5.432 4.221 12.200 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.827 3.613 12.084 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.819 2.235 12.587 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.436 2.325 10.920 1.00 0.00 H new ATOM 543 N GLY A 32 5.125 5.095 9.506 1.00 0.00 N ATOM 544 CA GLY A 32 5.331 6.048 8.432 1.00 0.00 C ATOM 545 C GLY A 32 4.113 6.916 8.184 1.00 0.00 C ATOM 546 O GLY A 32 3.298 7.123 9.083 1.00 0.00 O ATOM 0 H GLY A 32 4.158 4.797 9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.183 6.684 8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.583 5.511 7.517 1.00 0.00 H new ATOM 550 N GLN A 33 3.989 7.425 6.963 1.00 0.00 N ATOM 551 CA GLN A 33 2.862 8.278 6.602 1.00 0.00 C ATOM 552 C GLN A 33 1.780 7.476 5.888 1.00 0.00 C ATOM 553 O GLN A 33 2.064 6.467 5.241 1.00 0.00 O ATOM 554 CB GLN A 33 3.331 9.430 5.712 1.00 0.00 C ATOM 555 CG GLN A 33 2.212 10.368 5.292 1.00 0.00 C ATOM 556 CD GLN A 33 1.828 11.346 6.385 1.00 0.00 C ATOM 557 OE1 GLN A 33 2.416 11.347 7.467 1.00 0.00 O ATOM 558 NE2 GLN A 33 0.839 12.187 6.108 1.00 0.00 N ATOM 0 H GLN A 33 4.654 7.262 6.207 1.00 0.00 H new ATOM 0 HA GLN A 33 2.440 8.687 7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.093 10.001 6.243 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.804 9.020 4.820 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.521 10.923 4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.337 9.781 5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.379 12.152 5.198 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.539 12.869 6.805 1.00 0.00 H new ATOM 567 N VAL A 34 0.535 7.929 6.009 1.00 0.00 N ATOM 568 CA VAL A 34 -0.589 7.254 5.375 1.00 0.00 C ATOM 569 C VAL A 34 -1.335 8.194 4.434 1.00 0.00 C ATOM 570 O VAL A 34 -1.588 9.352 4.768 1.00 0.00 O ATOM 571 CB VAL A 34 -1.576 6.703 6.420 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.697 5.929 5.742 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.849 5.828 7.431 1.00 0.00 C ATOM 0 H VAL A 34 0.281 8.761 6.541 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.176 6.423 4.803 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.019 7.544 6.953 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.384 5.548 6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.235 6.589 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.276 5.095 5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.562 5.447 8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.377 4.992 6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.087 6.417 7.941 1.00 0.00 H new ATOM 583 N LEU A 35 -1.685 7.689 3.256 1.00 0.00 N ATOM 584 CA LEU A 35 -2.403 8.483 2.266 1.00 0.00 C ATOM 585 C LEU A 35 -3.641 7.744 1.768 1.00 0.00 C ATOM 586 O LEU A 35 -3.569 6.573 1.391 1.00 0.00 O ATOM 587 CB LEU A 35 -1.486 8.817 1.088 1.00 0.00 C ATOM 588 CG LEU A 35 -0.671 10.104 1.216 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.671 9.823 1.874 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.473 10.747 -0.148 1.00 0.00 C ATOM 0 H LEU A 35 -1.483 6.733 2.963 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.723 9.409 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.795 7.986 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.095 8.885 0.187 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.224 10.800 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.237 10.751 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.509 9.407 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.230 9.109 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.109 11.662 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.058 10.056 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.444 10.985 -0.583 1.00 0.00 H new ATOM 602 N LEU A 36 -4.776 8.434 1.767 1.00 0.00 N ATOM 603 CA LEU A 36 -6.030 7.844 1.312 1.00 0.00 C ATOM 604 C LEU A 36 -6.481 8.470 -0.004 1.00 0.00 C ATOM 605 O LEU A 36 -6.801 9.657 -0.061 1.00 0.00 O ATOM 606 CB LEU A 36 -7.115 8.024 2.375 1.00 0.00 C ATOM 607 CG LEU A 36 -8.525 7.585 1.976 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.545 6.106 1.626 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.513 7.885 3.093 1.00 0.00 C ATOM 0 H LEU A 36 -4.854 9.403 2.076 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.864 6.779 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.820 7.467 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.150 9.077 2.656 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.824 8.149 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.556 5.812 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.868 5.920 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.225 5.523 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.511 7.566 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.217 7.348 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.520 8.956 3.295 1.00 0.00 H new ATOM 621 N LYS A 37 -6.507 7.663 -1.058 1.00 0.00 N ATOM 622 CA LYS A 37 -6.923 8.135 -2.374 1.00 0.00 C ATOM 623 C LYS A 37 -8.268 7.533 -2.768 1.00 0.00 C ATOM 624 O LYS A 37 -8.669 6.491 -2.250 1.00 0.00 O ATOM 625 CB LYS A 37 -5.866 7.780 -3.423 1.00 0.00 C ATOM 626 CG LYS A 37 -4.656 8.699 -3.403 1.00 0.00 C ATOM 627 CD LYS A 37 -4.969 10.046 -4.034 1.00 0.00 C ATOM 628 CE LYS A 37 -3.753 10.959 -4.027 1.00 0.00 C ATOM 629 NZ LYS A 37 -3.608 11.682 -2.734 1.00 0.00 N ATOM 0 H LYS A 37 -6.245 6.678 -1.027 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.030 9.219 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.535 6.754 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.322 7.815 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.326 8.846 -2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.831 8.228 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.309 9.899 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.786 10.522 -3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.856 10.370 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.837 11.681 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.768 12.293 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.453 12.265 -2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.502 10.994 -1.961 1.00 0.00 H new ATOM 643 N SER A 38 -8.960 8.197 -3.689 1.00 0.00 N ATOM 644 CA SER A 38 -10.262 7.729 -4.150 1.00 0.00 C ATOM 645 C SER A 38 -10.123 6.432 -4.942 1.00 0.00 C ATOM 646 O SER A 38 -9.938 6.451 -6.158 1.00 0.00 O ATOM 647 CB SER A 38 -10.935 8.798 -5.013 1.00 0.00 C ATOM 648 OG SER A 38 -12.191 8.349 -5.493 1.00 0.00 O ATOM 0 H SER A 38 -8.641 9.060 -4.130 1.00 0.00 H new ATOM 0 HA SER A 38 -10.883 7.535 -3.275 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.069 9.709 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.290 9.050 -5.854 1.00 0.00 H new ATOM 0 HG SER A 38 -12.602 9.050 -6.040 1.00 0.00 H new ATOM 654 N GLY A 39 -10.215 5.306 -4.242 1.00 0.00 N ATOM 655 CA GLY A 39 -10.096 4.015 -4.895 1.00 0.00 C ATOM 656 C GLY A 39 -8.854 3.259 -4.466 1.00 0.00 C ATOM 657 O GLY A 39 -8.738 2.056 -4.703 1.00 0.00 O ATOM 0 H GLY A 39 -10.370 5.264 -3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.978 3.415 -4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.075 4.159 -5.975 1.00 0.00 H new ATOM 661 N TYR A 40 -7.923 3.965 -3.834 1.00 0.00 N ATOM 662 CA TYR A 40 -6.683 3.354 -3.374 1.00 0.00 C ATOM 663 C TYR A 40 -6.075 4.154 -2.225 1.00 0.00 C ATOM 664 O TYR A 40 -6.606 5.189 -1.825 1.00 0.00 O ATOM 665 CB TYR A 40 -5.681 3.254 -4.526 1.00 0.00 C ATOM 666 CG TYR A 40 -5.613 4.501 -5.379 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.537 4.725 -6.392 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.626 5.456 -5.170 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.478 5.862 -7.173 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.560 6.597 -5.946 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.488 6.795 -6.947 1.00 0.00 C ATOM 672 OH TYR A 40 -5.427 7.930 -7.723 1.00 0.00 O ATOM 0 H TYR A 40 -8.004 4.961 -3.629 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.914 2.352 -3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.691 3.048 -4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.949 2.406 -5.157 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.315 3.997 -6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.898 5.304 -4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.204 6.020 -7.957 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.786 7.330 -5.770 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.672 8.484 -7.434 1.00 0.00 H new ATOM 682 N ALA A 41 -4.956 3.664 -1.699 1.00 0.00 N ATOM 683 CA ALA A 41 -4.274 4.332 -0.599 1.00 0.00 C ATOM 684 C ALA A 41 -2.790 3.978 -0.577 1.00 0.00 C ATOM 685 O ALA A 41 -2.394 2.895 -1.008 1.00 0.00 O ATOM 686 CB ALA A 41 -4.925 3.967 0.727 1.00 0.00 C ATOM 0 H ALA A 41 -4.504 2.807 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.362 5.408 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.404 4.474 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.970 4.277 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.868 2.889 0.876 1.00 0.00 H new ATOM 692 N PHE A 42 -1.975 4.897 -0.071 1.00 0.00 N ATOM 693 CA PHE A 42 -0.534 4.682 0.006 1.00 0.00 C ATOM 694 C PHE A 42 -0.062 4.676 1.457 1.00 0.00 C ATOM 695 O PHE A 42 -0.360 5.593 2.222 1.00 0.00 O ATOM 696 CB PHE A 42 0.208 5.766 -0.780 1.00 0.00 C ATOM 697 CG PHE A 42 -0.326 5.971 -2.168 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.244 4.961 -3.113 1.00 0.00 C ATOM 699 CD2 PHE A 42 -0.912 7.174 -2.529 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.733 5.148 -4.392 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.404 7.366 -3.807 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.315 6.352 -4.739 1.00 0.00 C ATOM 0 H PHE A 42 -2.287 5.798 0.292 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.313 3.709 -0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.146 6.707 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.264 5.501 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.207 4.017 -2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.985 7.971 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.660 4.353 -5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.858 8.309 -4.076 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.699 6.499 -5.737 1.00 0.00 H new ATOM 712 N VAL A 43 0.677 3.635 1.828 1.00 0.00 N ATOM 713 CA VAL A 43 1.192 3.509 3.186 1.00 0.00 C ATOM 714 C VAL A 43 2.701 3.298 3.184 1.00 0.00 C ATOM 715 O VAL A 43 3.238 2.585 2.337 1.00 0.00 O ATOM 716 CB VAL A 43 0.523 2.340 3.933 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.929 2.668 4.247 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.624 1.060 3.118 1.00 0.00 C ATOM 0 H VAL A 43 0.932 2.867 1.207 1.00 0.00 H new ATOM 0 HA VAL A 43 0.959 4.441 3.701 1.00 0.00 H new ATOM 0 HB VAL A 43 1.048 2.186 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.385 1.831 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.974 3.559 4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.470 2.850 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.146 0.244 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.125 1.199 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.673 0.818 2.949 1.00 0.00 H new ATOM 728 N ASP A 44 3.382 3.925 4.138 1.00 0.00 N ATOM 729 CA ASP A 44 4.831 3.805 4.248 1.00 0.00 C ATOM 730 C ASP A 44 5.213 2.644 5.161 1.00 0.00 C ATOM 731 O ASP A 44 4.802 2.591 6.320 1.00 0.00 O ATOM 732 CB ASP A 44 5.432 5.107 4.780 1.00 0.00 C ATOM 733 CG ASP A 44 5.395 6.223 3.756 1.00 0.00 C ATOM 734 OD1 ASP A 44 4.325 6.430 3.144 1.00 0.00 O ATOM 735 OD2 ASP A 44 6.434 6.890 3.565 1.00 0.00 O ATOM 0 H ASP A 44 2.953 4.521 4.846 1.00 0.00 H new ATOM 0 HA ASP A 44 5.231 3.608 3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.887 5.418 5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.464 4.930 5.083 1.00 0.00 H new ATOM 740 N TYR A 45 6.000 1.715 4.629 1.00 0.00 N ATOM 741 CA TYR A 45 6.435 0.553 5.394 1.00 0.00 C ATOM 742 C TYR A 45 7.844 0.756 5.942 1.00 0.00 C ATOM 743 O TYR A 45 8.698 1.379 5.312 1.00 0.00 O ATOM 744 CB TYR A 45 6.390 -0.704 4.523 1.00 0.00 C ATOM 745 CG TYR A 45 7.435 -0.718 3.429 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.714 -1.203 3.669 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.141 -0.249 2.155 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.671 -1.218 2.673 1.00 0.00 C ATOM 749 CE2 TYR A 45 8.091 -0.261 1.152 1.00 0.00 C ATOM 750 CZ TYR A 45 9.354 -0.746 1.417 1.00 0.00 C ATOM 751 OH TYR A 45 10.305 -0.761 0.422 1.00 0.00 O ATOM 0 H TYR A 45 6.349 1.744 3.671 1.00 0.00 H new ATOM 0 HA TYR A 45 5.753 0.429 6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.527 -1.580 5.156 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.402 -0.788 4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.965 -1.575 4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.152 0.132 1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.661 -1.597 2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.846 0.107 0.167 1.00 0.00 H new ATOM 0 HH TYR A 45 9.922 -0.396 -0.403 1.00 0.00 H new ATOM 761 N PRO A 46 8.094 0.217 7.144 1.00 0.00 N ATOM 762 CA PRO A 46 9.399 0.324 7.803 1.00 0.00 C ATOM 763 C PRO A 46 10.473 -0.500 7.101 1.00 0.00 C ATOM 764 O PRO A 46 11.604 -0.044 6.926 1.00 0.00 O ATOM 765 CB PRO A 46 9.133 -0.228 9.206 1.00 0.00 C ATOM 766 CG PRO A 46 7.969 -1.142 9.040 1.00 0.00 C ATOM 767 CD PRO A 46 7.123 -0.540 7.951 1.00 0.00 C ATOM 0 HA PRO A 46 9.777 1.346 7.796 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.002 -0.760 9.593 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.910 0.573 9.911 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.296 -2.146 8.770 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.406 -1.229 9.969 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.622 -1.307 7.361 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.346 0.108 8.357 1.00 0.00 H new ATOM 775 N ASP A 47 10.113 -1.714 6.700 1.00 0.00 N ATOM 776 CA ASP A 47 11.046 -2.602 6.015 1.00 0.00 C ATOM 777 C ASP A 47 10.311 -3.511 5.036 1.00 0.00 C ATOM 778 O ASP A 47 9.101 -3.711 5.148 1.00 0.00 O ATOM 779 CB ASP A 47 11.820 -3.445 7.030 1.00 0.00 C ATOM 780 CG ASP A 47 10.961 -3.872 8.203 1.00 0.00 C ATOM 781 OD1 ASP A 47 10.601 -3.002 9.024 1.00 0.00 O ATOM 782 OD2 ASP A 47 10.646 -5.077 8.300 1.00 0.00 O ATOM 0 H ASP A 47 9.182 -2.106 6.837 1.00 0.00 H new ATOM 0 HA ASP A 47 11.749 -1.987 5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.218 -4.330 6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.673 -2.874 7.397 1.00 0.00 H new ATOM 787 N GLN A 48 11.050 -4.058 4.076 1.00 0.00 N ATOM 788 CA GLN A 48 10.467 -4.945 3.076 1.00 0.00 C ATOM 789 C GLN A 48 9.812 -6.154 3.735 1.00 0.00 C ATOM 790 O GLN A 48 8.772 -6.632 3.284 1.00 0.00 O ATOM 791 CB GLN A 48 11.538 -5.408 2.087 1.00 0.00 C ATOM 792 CG GLN A 48 11.037 -6.430 1.080 1.00 0.00 C ATOM 793 CD GLN A 48 12.153 -7.281 0.507 1.00 0.00 C ATOM 794 OE1 GLN A 48 12.289 -8.457 0.846 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.959 -6.691 -0.367 1.00 0.00 N ATOM 0 H GLN A 48 12.052 -3.903 3.970 1.00 0.00 H new ATOM 0 HA GLN A 48 9.701 -4.388 2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.924 -4.541 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.372 -5.837 2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.302 -7.077 1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.526 -5.913 0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.810 -5.714 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.728 -7.215 -0.786 1.00 0.00 H new ATOM 804 N ASN A 49 10.427 -6.644 4.807 1.00 0.00 N ATOM 805 CA ASN A 49 9.905 -7.798 5.528 1.00 0.00 C ATOM 806 C ASN A 49 8.525 -7.499 6.106 1.00 0.00 C ATOM 807 O ASN A 49 7.602 -8.305 5.987 1.00 0.00 O ATOM 808 CB ASN A 49 10.863 -8.201 6.651 1.00 0.00 C ATOM 809 CG ASN A 49 10.255 -9.223 7.591 1.00 0.00 C ATOM 810 OD1 ASN A 49 9.995 -10.363 7.204 1.00 0.00 O ATOM 811 ND2 ASN A 49 10.023 -8.820 8.835 1.00 0.00 N ATOM 0 H ASN A 49 11.288 -6.259 5.195 1.00 0.00 H new ATOM 0 HA ASN A 49 9.814 -8.624 4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.776 -8.609 6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 49 11.148 -7.314 7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.614 -9.464 9.512 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.254 -7.866 9.114 1.00 0.00 H new ATOM 818 N TRP A 50 8.391 -6.334 6.730 1.00 0.00 N ATOM 819 CA TRP A 50 7.123 -5.927 7.327 1.00 0.00 C ATOM 820 C TRP A 50 6.029 -5.835 6.268 1.00 0.00 C ATOM 821 O TRP A 50 4.899 -6.267 6.492 1.00 0.00 O ATOM 822 CB TRP A 50 7.278 -4.581 8.036 1.00 0.00 C ATOM 823 CG TRP A 50 5.990 -4.049 8.588 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.571 -4.102 9.886 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.953 -3.386 7.856 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.337 -3.511 10.006 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.936 -3.063 8.775 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.787 -3.032 6.515 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.770 -2.405 8.393 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.629 -2.378 6.138 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.634 -2.070 7.073 1.00 0.00 C ATOM 0 H TRP A 50 9.144 -5.654 6.836 1.00 0.00 H new ATOM 0 HA TRP A 50 6.834 -6.683 8.058 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.997 -4.687 8.848 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.692 -3.855 7.336 1.00 0.00 H new ATOM 0 HD1 TRP A 50 6.128 -4.544 10.699 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.805 -3.420 10.872 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.549 -3.265 5.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.000 -2.167 9.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.490 -2.100 5.104 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.741 -1.558 6.746 1.00 0.00 H new ATOM 842 N ALA A 51 6.373 -5.270 5.115 1.00 0.00 N ATOM 843 CA ALA A 51 5.420 -5.124 4.022 1.00 0.00 C ATOM 844 C ALA A 51 4.894 -6.481 3.568 1.00 0.00 C ATOM 845 O ALA A 51 3.688 -6.667 3.406 1.00 0.00 O ATOM 846 CB ALA A 51 6.063 -4.387 2.856 1.00 0.00 C ATOM 0 H ALA A 51 7.304 -4.906 4.914 1.00 0.00 H new ATOM 0 HA ALA A 51 4.575 -4.539 4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.340 -4.285 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.383 -3.398 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.927 -4.950 2.502 1.00 0.00 H new ATOM 852 N ILE A 52 5.807 -7.425 3.362 1.00 0.00 N ATOM 853 CA ILE A 52 5.433 -8.764 2.925 1.00 0.00 C ATOM 854 C ILE A 52 4.521 -9.440 3.945 1.00 0.00 C ATOM 855 O ILE A 52 3.512 -10.046 3.583 1.00 0.00 O ATOM 856 CB ILE A 52 6.674 -9.648 2.697 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.588 -9.019 1.644 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.255 -11.049 2.275 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.010 -9.531 1.696 1.00 0.00 C ATOM 0 H ILE A 52 6.809 -7.287 3.491 1.00 0.00 H new ATOM 0 HA ILE A 52 4.899 -8.651 1.982 1.00 0.00 H new ATOM 0 HB ILE A 52 7.227 -9.722 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.176 -9.214 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.594 -7.937 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.142 -11.662 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.639 -11.495 3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.683 -10.994 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.601 -9.042 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.440 -9.312 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.015 -10.608 1.530 1.00 0.00 H new ATOM 871 N ARG A 53 4.884 -9.331 5.218 1.00 0.00 N ATOM 872 CA ARG A 53 4.099 -9.931 6.290 1.00 0.00 C ATOM 873 C ARG A 53 2.767 -9.206 6.460 1.00 0.00 C ATOM 874 O ARG A 53 1.749 -9.822 6.774 1.00 0.00 O ATOM 875 CB ARG A 53 4.881 -9.898 7.604 1.00 0.00 C ATOM 876 CG ARG A 53 4.472 -10.986 8.583 1.00 0.00 C ATOM 877 CD ARG A 53 4.953 -12.355 8.126 1.00 0.00 C ATOM 878 NE ARG A 53 6.297 -12.653 8.611 1.00 0.00 N ATOM 879 CZ ARG A 53 6.605 -12.770 9.899 1.00 0.00 C ATOM 880 NH1 ARG A 53 5.668 -12.615 10.825 1.00 0.00 N ATOM 881 NH2 ARG A 53 7.852 -13.043 10.263 1.00 0.00 N ATOM 0 H ARG A 53 5.717 -8.833 5.533 1.00 0.00 H new ATOM 0 HA ARG A 53 3.897 -10.968 6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.944 -9.997 7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.742 -8.925 8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.883 -10.764 9.568 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.387 -10.996 8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.262 -13.119 8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.943 -12.398 7.037 1.00 0.00 H new ATOM 0 HE ARG A 53 7.041 -12.778 7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.708 -12.406 10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.907 -12.705 11.812 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.575 -13.163 9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.087 -13.132 11.252 1.00 0.00 H new ATOM 895 N ALA A 54 2.782 -7.893 6.249 1.00 0.00 N ATOM 896 CA ALA A 54 1.576 -7.085 6.377 1.00 0.00 C ATOM 897 C ALA A 54 0.586 -7.394 5.259 1.00 0.00 C ATOM 898 O ALA A 54 -0.611 -7.547 5.503 1.00 0.00 O ATOM 899 CB ALA A 54 1.931 -5.606 6.377 1.00 0.00 C ATOM 0 H ALA A 54 3.616 -7.367 5.989 1.00 0.00 H new ATOM 0 HA ALA A 54 1.100 -7.334 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.021 -5.013 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.594 -5.391 7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.432 -5.352 5.443 1.00 0.00 H new ATOM 905 N ILE A 55 1.094 -7.485 4.035 1.00 0.00 N ATOM 906 CA ILE A 55 0.254 -7.775 2.880 1.00 0.00 C ATOM 907 C ILE A 55 -0.389 -9.152 3.001 1.00 0.00 C ATOM 908 O ILE A 55 -1.593 -9.307 2.796 1.00 0.00 O ATOM 909 CB ILE A 55 1.059 -7.711 1.568 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.524 -6.278 1.300 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.221 -8.227 0.408 1.00 0.00 C ATOM 912 CD1 ILE A 55 2.817 -6.200 0.519 1.00 0.00 C ATOM 0 H ILE A 55 2.083 -7.362 3.818 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.525 -7.013 2.857 1.00 0.00 H new ATOM 0 HB ILE A 55 1.939 -8.347 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.745 -5.748 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.652 -5.762 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.803 -8.176 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.066 -9.261 0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.675 -7.614 0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.087 -5.155 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.609 -6.701 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.688 -6.687 -0.447 1.00 0.00 H new ATOM 924 N GLU A 56 0.421 -10.151 3.337 1.00 0.00 N ATOM 925 CA GLU A 56 -0.070 -11.515 3.488 1.00 0.00 C ATOM 926 C GLU A 56 -1.088 -11.606 4.620 1.00 0.00 C ATOM 927 O GLU A 56 -2.089 -12.317 4.516 1.00 0.00 O ATOM 928 CB GLU A 56 1.094 -12.473 3.755 1.00 0.00 C ATOM 929 CG GLU A 56 1.732 -13.024 2.491 1.00 0.00 C ATOM 930 CD GLU A 56 0.714 -13.609 1.530 1.00 0.00 C ATOM 931 OE1 GLU A 56 0.235 -14.732 1.785 1.00 0.00 O ATOM 932 OE2 GLU A 56 0.398 -12.940 0.524 1.00 0.00 O ATOM 0 H GLU A 56 1.420 -10.041 3.510 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.561 -11.801 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.854 -11.954 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.737 -13.304 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.283 -12.228 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.456 -13.793 2.760 1.00 0.00 H new ATOM 939 N THR A 57 -0.826 -10.881 5.703 1.00 0.00 N ATOM 940 CA THR A 57 -1.717 -10.880 6.857 1.00 0.00 C ATOM 941 C THR A 57 -2.909 -9.957 6.629 1.00 0.00 C ATOM 942 O THR A 57 -3.952 -10.105 7.267 1.00 0.00 O ATOM 943 CB THR A 57 -0.980 -10.441 8.136 1.00 0.00 C ATOM 944 OG1 THR A 57 -0.166 -11.514 8.624 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.968 -10.018 9.212 1.00 0.00 C ATOM 0 H THR A 57 -0.003 -10.287 5.805 1.00 0.00 H new ATOM 0 HA THR A 57 -2.071 -11.903 6.984 1.00 0.00 H new ATOM 0 HB THR A 57 -0.348 -9.588 7.890 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.301 -11.227 9.436 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.424 -9.712 10.106 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.567 -9.183 8.848 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.623 -10.855 9.454 1.00 0.00 H new ATOM 953 N LEU A 58 -2.748 -9.004 5.717 1.00 0.00 N ATOM 954 CA LEU A 58 -3.812 -8.057 5.405 1.00 0.00 C ATOM 955 C LEU A 58 -4.506 -8.428 4.098 1.00 0.00 C ATOM 956 O LEU A 58 -5.657 -8.865 4.097 1.00 0.00 O ATOM 957 CB LEU A 58 -3.247 -6.638 5.310 1.00 0.00 C ATOM 958 CG LEU A 58 -2.738 -6.030 6.616 1.00 0.00 C ATOM 959 CD1 LEU A 58 -1.884 -4.803 6.337 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.904 -5.674 7.528 1.00 0.00 C ATOM 0 H LEU A 58 -1.891 -8.867 5.181 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.547 -8.097 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.428 -6.642 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.022 -5.986 4.907 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.119 -6.771 7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.531 -4.384 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.029 -5.087 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.479 -4.058 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.523 -5.242 8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.549 -4.951 7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.476 -6.574 7.756 1.00 0.00 H new ATOM 972 N SER A 59 -3.797 -8.254 2.987 1.00 0.00 N ATOM 973 CA SER A 59 -4.346 -8.570 1.673 1.00 0.00 C ATOM 974 C SER A 59 -4.931 -9.979 1.653 1.00 0.00 C ATOM 975 O SER A 59 -4.236 -10.956 1.927 1.00 0.00 O ATOM 976 CB SER A 59 -3.263 -8.440 0.600 1.00 0.00 C ATOM 977 OG SER A 59 -3.828 -8.457 -0.699 1.00 0.00 O ATOM 0 H SER A 59 -2.842 -7.896 2.970 1.00 0.00 H new ATOM 0 HA SER A 59 -5.146 -7.860 1.460 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.710 -7.512 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.548 -9.257 0.700 1.00 0.00 H new ATOM 0 HG SER A 59 -3.116 -8.371 -1.367 1.00 0.00 H new ATOM 983 N GLY A 60 -6.216 -10.075 1.325 1.00 0.00 N ATOM 984 CA GLY A 60 -6.874 -11.367 1.274 1.00 0.00 C ATOM 985 C GLY A 60 -7.254 -11.879 2.650 1.00 0.00 C ATOM 986 O GLY A 60 -8.036 -12.821 2.776 1.00 0.00 O ATOM 0 H GLY A 60 -6.813 -9.281 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.770 -11.291 0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.215 -12.088 0.791 1.00 0.00 H new ATOM 990 N LYS A 61 -6.698 -11.257 3.684 1.00 0.00 N ATOM 991 CA LYS A 61 -6.982 -11.654 5.058 1.00 0.00 C ATOM 992 C LYS A 61 -7.876 -10.629 5.748 1.00 0.00 C ATOM 993 O LYS A 61 -8.389 -10.872 6.840 1.00 0.00 O ATOM 994 CB LYS A 61 -5.678 -11.819 5.843 1.00 0.00 C ATOM 995 CG LYS A 61 -5.014 -13.170 5.641 1.00 0.00 C ATOM 996 CD LYS A 61 -5.678 -14.248 6.483 1.00 0.00 C ATOM 997 CE LYS A 61 -5.178 -14.223 7.918 1.00 0.00 C ATOM 998 NZ LYS A 61 -3.815 -14.807 8.042 1.00 0.00 N ATOM 0 H LYS A 61 -6.048 -10.476 3.597 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.507 -12.609 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.983 -11.034 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.882 -11.679 6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.063 -13.447 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.958 -13.101 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.759 -14.106 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.480 -15.226 6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.167 -13.195 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.869 -14.777 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.566 -14.896 9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.798 -15.747 7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.127 -14.187 7.568 1.00 0.00 H new ATOM 1012 N VAL A 62 -8.060 -9.481 5.101 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.894 -8.420 5.651 1.00 0.00 C ATOM 1014 C VAL A 62 -9.906 -7.927 4.622 1.00 0.00 C ATOM 1015 O VAL A 62 -9.545 -7.590 3.496 1.00 0.00 O ATOM 1016 CB VAL A 62 -8.043 -7.227 6.129 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -7.458 -6.479 4.941 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -8.873 -6.296 7.000 1.00 0.00 C ATOM 0 H VAL A 62 -7.643 -9.263 4.196 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.424 -8.844 6.504 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.217 -7.609 6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.860 -5.640 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.828 -7.153 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.266 -6.107 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.256 -5.459 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.720 -5.919 6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.238 -6.841 7.870 1.00 0.00 H new ATOM 1028 N GLU A 63 -11.174 -7.890 5.019 1.00 0.00 N ATOM 1029 CA GLU A 63 -12.239 -7.439 4.130 1.00 0.00 C ATOM 1030 C GLU A 63 -12.817 -6.109 4.605 1.00 0.00 C ATOM 1031 O GLU A 63 -13.169 -5.954 5.774 1.00 0.00 O ATOM 1032 CB GLU A 63 -13.347 -8.490 4.052 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.591 -8.011 3.322 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.591 -7.346 4.246 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -15.395 -6.157 4.576 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -16.569 -8.013 4.642 1.00 0.00 O ATOM 0 H GLU A 63 -11.489 -8.166 5.949 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.813 -7.296 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.960 -9.377 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.622 -8.791 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.301 -7.308 2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.066 -8.858 2.828 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.910 -5.151 3.689 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.444 -3.833 4.012 1.00 0.00 C ATOM 1045 C LEU A 64 -14.692 -3.534 3.188 1.00 0.00 C ATOM 1046 O LEU A 64 -14.645 -3.505 1.958 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.386 -2.757 3.762 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.555 -1.454 4.547 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.566 -1.729 6.042 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.451 -0.470 4.190 1.00 0.00 C ATOM 0 H LEU A 64 -12.622 -5.263 2.717 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.717 -3.828 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.408 -3.176 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.383 -2.519 2.698 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.512 -1.009 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.687 -0.791 6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.393 -2.397 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.626 -2.197 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.587 0.451 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.482 -0.906 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.492 -0.248 3.124 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.809 -3.312 3.874 1.00 0.00 N ATOM 1063 CA HIS A 65 -17.071 -3.012 3.206 1.00 0.00 C ATOM 1064 C HIS A 65 -17.531 -4.195 2.360 1.00 0.00 C ATOM 1065 O HIS A 65 -18.098 -4.017 1.283 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.925 -1.768 2.328 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.237 -0.491 3.045 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.439 0.170 2.915 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.494 0.248 3.902 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.423 1.261 3.661 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -17.254 1.330 4.271 1.00 0.00 N ATOM 0 H HIS A 65 -15.866 -3.334 4.892 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.823 -2.820 3.972 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.906 -1.721 1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.585 -1.862 1.466 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.490 0.027 4.234 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -19.229 1.974 3.755 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.963 2.068 4.912 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.283 -5.404 2.856 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.678 -6.598 2.132 1.00 0.00 C ATOM 1081 C GLY A 66 -16.755 -6.901 0.968 1.00 0.00 C ATOM 1082 O GLY A 66 -16.932 -7.901 0.269 1.00 0.00 O ATOM 0 H GLY A 66 -16.816 -5.577 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.687 -7.447 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.696 -6.475 1.762 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.768 -6.038 0.756 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.815 -6.218 -0.332 1.00 0.00 C ATOM 1088 C LYS A 67 -13.404 -6.425 0.210 1.00 0.00 C ATOM 1089 O LYS A 67 -12.924 -5.644 1.032 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.840 -5.005 -1.266 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.158 -4.831 -2.001 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.126 -3.625 -2.924 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.515 -3.282 -3.441 1.00 0.00 C ATOM 1094 NZ LYS A 67 -18.000 -4.282 -4.433 1.00 0.00 N ATOM 0 H LYS A 67 -15.607 -5.206 1.324 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.105 -7.107 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.636 -4.105 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.036 -5.102 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.374 -5.728 -2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.966 -4.716 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.713 -2.768 -2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.463 -3.827 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.212 -3.233 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.498 -2.294 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.949 -4.013 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.349 -4.311 -5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.041 -5.221 -3.988 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.746 -7.482 -0.256 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.390 -7.789 0.181 1.00 0.00 C ATOM 1110 C ILE A 68 -10.401 -6.741 -0.316 1.00 0.00 C ATOM 1111 O ILE A 68 -10.379 -6.406 -1.500 1.00 0.00 O ATOM 1112 CB ILE A 68 -10.941 -9.178 -0.313 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.048 -10.208 -0.082 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.660 -9.601 0.392 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.574 -10.221 1.336 1.00 0.00 C ATOM 0 H ILE A 68 -13.130 -8.139 -0.935 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.401 -7.785 1.271 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.742 -9.121 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.872 -10.003 -0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.668 -11.199 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.355 -10.584 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.873 -8.877 0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.834 -9.645 1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.356 -10.975 1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.761 -10.456 2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.984 -9.241 1.581 1.00 0.00 H new ATOM 1127 N MET A 69 -9.581 -6.228 0.596 1.00 0.00 N ATOM 1128 CA MET A 69 -8.587 -5.219 0.250 1.00 0.00 C ATOM 1129 C MET A 69 -7.284 -5.872 -0.201 1.00 0.00 C ATOM 1130 O MET A 69 -6.835 -6.854 0.390 1.00 0.00 O ATOM 1131 CB MET A 69 -8.324 -4.299 1.444 1.00 0.00 C ATOM 1132 CG MET A 69 -7.153 -4.743 2.306 1.00 0.00 C ATOM 1133 SD MET A 69 -6.958 -3.731 3.786 1.00 0.00 S ATOM 1134 CE MET A 69 -6.386 -2.192 3.070 1.00 0.00 C ATOM 0 H MET A 69 -9.586 -6.495 1.580 1.00 0.00 H new ATOM 0 HA MET A 69 -8.981 -4.626 -0.576 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.134 -3.289 1.080 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.221 -4.252 2.061 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.296 -5.783 2.598 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.237 -4.700 1.718 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.547 -1.810 3.651 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.067 -2.365 2.042 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.196 -1.463 3.080 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.683 -5.320 -1.251 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.432 -5.852 -1.780 1.00 0.00 C ATOM 1146 C GLU A 70 -4.291 -4.860 -1.577 1.00 0.00 C ATOM 1147 O GLU A 70 -4.364 -3.714 -2.022 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.580 -6.180 -3.266 1.00 0.00 C ATOM 1149 CG GLU A 70 -6.064 -7.596 -3.533 1.00 0.00 C ATOM 1150 CD GLU A 70 -7.576 -7.695 -3.589 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -8.213 -6.743 -4.087 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -8.121 -8.722 -3.136 1.00 0.00 O ATOM 0 H GLU A 70 -7.041 -4.506 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.196 -6.767 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.279 -5.475 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.619 -6.035 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.646 -7.947 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.689 -8.257 -2.752 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.237 -5.308 -0.903 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.080 -4.461 -0.641 1.00 0.00 C ATOM 1161 C VAL A 71 -0.862 -4.938 -1.423 1.00 0.00 C ATOM 1162 O VAL A 71 -0.472 -6.103 -1.336 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.734 -4.431 0.860 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.609 -3.442 1.129 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.966 -4.089 1.684 1.00 0.00 C ATOM 0 H VAL A 71 -3.161 -6.254 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.345 -3.454 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.392 -5.422 1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.378 -3.434 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.277 -3.738 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.919 -2.445 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.703 -4.072 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.341 -3.109 1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.738 -4.840 1.514 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.263 -4.031 -2.186 1.00 0.00 N ATOM 1176 CA ASP A 72 0.913 -4.358 -2.984 1.00 0.00 C ATOM 1177 C ASP A 72 1.757 -3.114 -3.245 1.00 0.00 C ATOM 1178 O ASP A 72 1.226 -2.028 -3.471 1.00 0.00 O ATOM 1179 CB ASP A 72 0.496 -4.993 -4.312 1.00 0.00 C ATOM 1180 CG ASP A 72 1.577 -5.882 -4.894 1.00 0.00 C ATOM 1181 OD1 ASP A 72 1.840 -6.956 -4.313 1.00 0.00 O ATOM 1182 OD2 ASP A 72 2.159 -5.504 -5.932 1.00 0.00 O ATOM 0 H ASP A 72 -0.573 -3.063 -2.269 1.00 0.00 H new ATOM 0 HA ASP A 72 1.514 -5.072 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.411 -5.579 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.253 -4.207 -5.027 1.00 0.00 H new ATOM 1187 N TYR A 73 3.074 -3.282 -3.209 1.00 0.00 N ATOM 1188 CA TYR A 73 3.992 -2.172 -3.437 1.00 0.00 C ATOM 1189 C TYR A 73 3.433 -1.208 -4.480 1.00 0.00 C ATOM 1190 O TYR A 73 2.720 -1.614 -5.398 1.00 0.00 O ATOM 1191 CB TYR A 73 5.357 -2.695 -3.890 1.00 0.00 C ATOM 1192 CG TYR A 73 5.810 -3.928 -3.141 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.450 -3.823 -1.913 1.00 0.00 C ATOM 1194 CD2 TYR A 73 5.600 -5.198 -3.663 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.868 -4.946 -1.225 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.012 -6.327 -2.983 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.646 -6.197 -1.765 1.00 0.00 C ATOM 1198 OH TYR A 73 7.059 -7.318 -1.084 1.00 0.00 O ATOM 0 H TYR A 73 3.530 -4.176 -3.024 1.00 0.00 H new ATOM 0 HA TYR A 73 4.111 -1.634 -2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.315 -2.922 -4.955 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.100 -1.908 -3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.624 -2.846 -1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.106 -5.304 -4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.365 -4.846 -0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.839 -7.307 -3.403 1.00 0.00 H new ATOM 0 HH TYR A 73 6.826 -8.118 -1.600 1.00 0.00 H new ATOM 1208 N SER A 74 3.762 0.070 -4.331 1.00 0.00 N ATOM 1209 CA SER A 74 3.291 1.094 -5.257 1.00 0.00 C ATOM 1210 C SER A 74 4.377 1.454 -6.267 1.00 0.00 C ATOM 1211 O SER A 74 4.585 2.626 -6.580 1.00 0.00 O ATOM 1212 CB SER A 74 2.858 2.345 -4.490 1.00 0.00 C ATOM 1213 OG SER A 74 2.172 3.250 -5.338 1.00 0.00 O ATOM 0 H SER A 74 4.353 0.422 -3.578 1.00 0.00 H new ATOM 0 HA SER A 74 2.434 0.693 -5.798 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.213 2.061 -3.658 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.733 2.834 -4.062 1.00 0.00 H new ATOM 0 HG SER A 74 2.746 3.488 -6.096 1.00 0.00 H new