USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 507 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 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 92:sc= -3.44! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= -2.26! (180deg=-2.64!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0514 F(o=-1.1,f=-0.051) USER MOD Single : A 26 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.86) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.513 F(o=-1.3,f=-0.51) USER MOD Single : A 47 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= -0.0681 (180deg=-0.393) USER MOD Single : A 75 THR OG1 : rot 95:sc= -0.852 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 146:sc= -2.94 (180deg=-5.84!) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -4.964 3.355 -8.621 1.00 0.00 N ATOM 64 CA SER A 1 -5.722 3.874 -9.754 1.00 0.00 C ATOM 65 C SER A 1 -5.470 3.038 -11.005 1.00 0.00 C ATOM 66 O SER A 1 -6.404 2.521 -11.617 1.00 0.00 O ATOM 67 CB SER A 1 -5.348 5.334 -10.018 1.00 0.00 C ATOM 68 OG SER A 1 -5.648 6.148 -8.898 1.00 0.00 O ATOM 0 H1 SER A 1 -5.151 3.939 -7.781 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.252 2.374 -8.431 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.948 3.381 -8.842 1.00 0.00 H new ATOM 0 HA SER A 1 -6.782 3.817 -9.508 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.285 5.404 -10.248 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.888 5.699 -10.892 1.00 0.00 H new ATOM 0 HG SER A 1 -5.398 7.076 -9.091 1.00 0.00 H new ATOM 74 N ALA A 2 -4.201 2.910 -11.378 1.00 0.00 N ATOM 75 CA ALA A 2 -3.825 2.135 -12.554 1.00 0.00 C ATOM 76 C ALA A 2 -4.198 0.666 -12.386 1.00 0.00 C ATOM 77 O ALA A 2 -4.333 -0.066 -13.367 1.00 0.00 O ATOM 78 CB ALA A 2 -2.334 2.276 -12.824 1.00 0.00 C ATOM 0 H ALA A 2 -3.416 3.333 -10.883 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.377 2.527 -13.409 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.067 1.692 -13.705 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.093 3.325 -12.997 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.772 1.912 -11.964 1.00 0.00 H new ATOM 84 N ASP A 3 -4.363 0.241 -11.139 1.00 0.00 N ATOM 85 CA ASP A 3 -4.721 -1.141 -10.843 1.00 0.00 C ATOM 86 C ASP A 3 -6.212 -1.375 -11.062 1.00 0.00 C ATOM 87 O ASP A 3 -6.617 -2.401 -11.611 1.00 0.00 O ATOM 88 CB ASP A 3 -4.343 -1.491 -9.402 1.00 0.00 C ATOM 89 CG ASP A 3 -4.000 -2.958 -9.234 1.00 0.00 C ATOM 90 OD1 ASP A 3 -2.921 -3.372 -9.706 1.00 0.00 O ATOM 91 OD2 ASP A 3 -4.811 -3.692 -8.631 1.00 0.00 O ATOM 0 H ASP A 3 -4.255 0.834 -10.316 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.167 -1.788 -11.523 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.491 -0.884 -9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.171 -1.236 -8.740 1.00 0.00 H new ATOM 96 N LEU A 4 -7.026 -0.418 -10.629 1.00 0.00 N ATOM 97 CA LEU A 4 -8.474 -0.520 -10.776 1.00 0.00 C ATOM 98 C LEU A 4 -8.883 -0.385 -12.240 1.00 0.00 C ATOM 99 O LEU A 4 -9.780 -1.084 -12.712 1.00 0.00 O ATOM 100 CB LEU A 4 -9.168 0.556 -9.939 1.00 0.00 C ATOM 101 CG LEU A 4 -10.689 0.439 -9.825 1.00 0.00 C ATOM 102 CD1 LEU A 4 -11.148 0.800 -8.421 1.00 0.00 C ATOM 103 CD2 LEU A 4 -11.371 1.327 -10.856 1.00 0.00 C ATOM 0 H LEU A 4 -6.708 0.437 -10.173 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.783 -1.503 -10.421 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.746 0.536 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.929 1.530 -10.365 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.971 -0.595 -10.023 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.233 0.711 -8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.687 0.123 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.854 1.825 -8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.453 1.231 -10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.083 2.365 -10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.067 1.022 -11.857 1.00 0.00 H new ATOM 115 N VAL A 5 -8.217 0.517 -12.954 1.00 0.00 N ATOM 116 CA VAL A 5 -8.508 0.741 -14.365 1.00 0.00 C ATOM 117 C VAL A 5 -8.021 -0.424 -15.219 1.00 0.00 C ATOM 118 O VAL A 5 -8.778 -0.986 -16.010 1.00 0.00 O ATOM 119 CB VAL A 5 -7.858 2.042 -14.872 1.00 0.00 C ATOM 120 CG1 VAL A 5 -8.098 2.212 -16.364 1.00 0.00 C ATOM 121 CG2 VAL A 5 -8.389 3.240 -14.099 1.00 0.00 C ATOM 0 H VAL A 5 -7.472 1.104 -12.578 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.591 0.825 -14.455 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.783 1.979 -14.705 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.632 3.136 -16.705 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.665 1.368 -16.901 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.170 2.254 -16.558 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.919 4.150 -14.471 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.469 3.309 -14.232 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.161 3.120 -13.040 1.00 0.00 H new ATOM 131 N SER A 6 -6.752 -0.783 -15.052 1.00 0.00 N ATOM 132 CA SER A 6 -6.163 -1.880 -15.811 1.00 0.00 C ATOM 133 C SER A 6 -6.918 -3.181 -15.560 1.00 0.00 C ATOM 134 O SER A 6 -7.170 -3.954 -16.485 1.00 0.00 O ATOM 135 CB SER A 6 -4.689 -2.052 -15.436 1.00 0.00 C ATOM 136 OG SER A 6 -4.041 -2.953 -16.318 1.00 0.00 O ATOM 0 H SER A 6 -6.113 -0.331 -14.399 1.00 0.00 H new ATOM 0 HA SER A 6 -6.236 -1.637 -16.871 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.187 -1.085 -15.466 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.611 -2.420 -14.413 1.00 0.00 H new ATOM 0 HG SER A 6 -3.100 -3.045 -16.059 1.00 0.00 H new ATOM 142 N SER A 7 -7.278 -3.417 -14.302 1.00 0.00 N ATOM 143 CA SER A 7 -8.002 -4.626 -13.928 1.00 0.00 C ATOM 144 C SER A 7 -9.419 -4.607 -14.492 1.00 0.00 C ATOM 145 O SER A 7 -9.883 -5.593 -15.067 1.00 0.00 O ATOM 146 CB SER A 7 -8.048 -4.767 -12.405 1.00 0.00 C ATOM 147 OG SER A 7 -8.659 -5.988 -12.025 1.00 0.00 O ATOM 0 H SER A 7 -7.080 -2.787 -13.525 1.00 0.00 H new ATOM 0 HA SER A 7 -7.474 -5.482 -14.349 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.036 -4.722 -12.002 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.600 -3.931 -11.976 1.00 0.00 H new ATOM 0 HG SER A 7 -8.675 -6.055 -11.047 1.00 0.00 H new ATOM 153 N CYS A 8 -10.101 -3.480 -14.323 1.00 0.00 N ATOM 154 CA CYS A 8 -11.467 -3.332 -14.814 1.00 0.00 C ATOM 155 C CYS A 8 -11.519 -3.484 -16.330 1.00 0.00 C ATOM 156 O CYS A 8 -12.439 -4.096 -16.873 1.00 0.00 O ATOM 157 CB CYS A 8 -12.032 -1.971 -14.406 1.00 0.00 C ATOM 158 SG CYS A 8 -12.731 -1.931 -12.739 1.00 0.00 S ATOM 0 H CYS A 8 -9.731 -2.655 -13.850 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.075 -4.119 -14.367 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.240 -1.226 -14.474 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.804 -1.682 -15.119 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.813 -1.572 -11.892 1.00 0.00 H new ATOM 164 N LYS A 9 -10.525 -2.923 -17.011 1.00 0.00 N ATOM 165 CA LYS A 9 -10.457 -2.995 -18.465 1.00 0.00 C ATOM 166 C LYS A 9 -10.258 -4.434 -18.930 1.00 0.00 C ATOM 167 O LYS A 9 -11.035 -4.950 -19.733 1.00 0.00 O ATOM 168 CB LYS A 9 -9.316 -2.117 -18.987 1.00 0.00 C ATOM 169 CG LYS A 9 -8.993 -2.348 -20.453 1.00 0.00 C ATOM 170 CD LYS A 9 -7.611 -2.956 -20.630 1.00 0.00 C ATOM 171 CE LYS A 9 -7.651 -4.174 -21.540 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.422 -4.285 -22.373 1.00 0.00 N ATOM 0 H LYS A 9 -9.755 -2.413 -16.578 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.402 -2.629 -18.866 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.580 -1.069 -18.842 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.422 -2.306 -18.392 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.741 -3.008 -20.892 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.047 -1.402 -20.992 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.935 -2.210 -21.048 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.210 -3.240 -19.657 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.763 -5.075 -20.936 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.525 -4.114 -22.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.488 -5.128 -22.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.328 -3.437 -22.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.590 -4.368 -21.755 1.00 0.00 H new ATOM 186 N ASP A 10 -9.214 -5.077 -18.419 1.00 0.00 N ATOM 187 CA ASP A 10 -8.914 -6.458 -18.779 1.00 0.00 C ATOM 188 C ASP A 10 -10.144 -7.343 -18.606 1.00 0.00 C ATOM 189 O ASP A 10 -10.520 -8.087 -19.512 1.00 0.00 O ATOM 190 CB ASP A 10 -7.762 -6.992 -17.927 1.00 0.00 C ATOM 191 CG ASP A 10 -7.119 -8.225 -18.530 1.00 0.00 C ATOM 192 OD1 ASP A 10 -7.330 -8.476 -19.736 1.00 0.00 O ATOM 193 OD2 ASP A 10 -6.404 -8.940 -17.797 1.00 0.00 O ATOM 0 H ASP A 10 -8.561 -4.664 -17.754 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.618 -6.478 -19.828 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.009 -6.213 -17.811 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.132 -7.230 -16.929 1.00 0.00 H new ATOM 198 N LYS A 11 -10.767 -7.259 -17.435 1.00 0.00 N ATOM 199 CA LYS A 11 -11.955 -8.052 -17.141 1.00 0.00 C ATOM 200 C LYS A 11 -13.117 -7.646 -18.042 1.00 0.00 C ATOM 201 O LYS A 11 -13.671 -8.471 -18.768 1.00 0.00 O ATOM 202 CB LYS A 11 -12.352 -7.888 -15.673 1.00 0.00 C ATOM 203 CG LYS A 11 -13.630 -8.621 -15.303 1.00 0.00 C ATOM 204 CD LYS A 11 -14.696 -7.663 -14.796 1.00 0.00 C ATOM 205 CE LYS A 11 -15.769 -7.417 -15.845 1.00 0.00 C ATOM 206 NZ LYS A 11 -16.177 -5.986 -15.896 1.00 0.00 N ATOM 0 H LYS A 11 -10.469 -6.649 -16.674 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.719 -9.099 -17.332 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.540 -8.251 -15.043 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.475 -6.827 -15.455 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.007 -9.159 -16.173 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.415 -9.366 -14.537 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.154 -8.070 -13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.233 -6.716 -14.518 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.398 -7.724 -16.823 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.640 -8.035 -15.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.765 -5.823 -16.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.721 -5.750 -15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.330 -5.385 -15.944 1.00 0.00 H new ATOM 220 N LEU A 12 -13.481 -6.369 -17.990 1.00 0.00 N ATOM 221 CA LEU A 12 -14.576 -5.852 -18.803 1.00 0.00 C ATOM 222 C LEU A 12 -14.419 -6.273 -20.260 1.00 0.00 C ATOM 223 O LEU A 12 -15.391 -6.642 -20.918 1.00 0.00 O ATOM 224 CB LEU A 12 -14.635 -4.327 -18.704 1.00 0.00 C ATOM 225 CG LEU A 12 -15.742 -3.644 -19.508 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.798 -3.065 -18.579 1.00 0.00 C ATOM 227 CD2 LEU A 12 -15.161 -2.557 -20.401 1.00 0.00 C ATOM 0 H LEU A 12 -13.034 -5.673 -17.393 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.507 -6.271 -18.422 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.755 -4.055 -17.655 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.676 -3.924 -19.030 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.217 -4.392 -20.143 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.577 -2.583 -19.169 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.237 -3.865 -17.983 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.338 -2.331 -17.918 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.964 -2.082 -20.965 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.659 -1.810 -19.786 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.444 -2.999 -21.092 1.00 0.00 H new ATOM 239 N ALA A 13 -13.188 -6.216 -20.758 1.00 0.00 N ATOM 240 CA ALA A 13 -12.903 -6.596 -22.136 1.00 0.00 C ATOM 241 C ALA A 13 -13.082 -8.096 -22.341 1.00 0.00 C ATOM 242 O ALA A 13 -13.527 -8.539 -23.400 1.00 0.00 O ATOM 243 CB ALA A 13 -11.491 -6.174 -22.518 1.00 0.00 C ATOM 0 H ALA A 13 -12.372 -5.910 -20.227 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.613 -6.081 -22.783 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.291 -6.464 -23.550 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.395 -5.093 -22.420 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.774 -6.663 -21.858 1.00 0.00 H new ATOM 249 N TYR A 14 -12.733 -8.873 -21.321 1.00 0.00 N ATOM 250 CA TYR A 14 -12.853 -10.325 -21.391 1.00 0.00 C ATOM 251 C TYR A 14 -14.286 -10.767 -21.107 1.00 0.00 C ATOM 252 O TYR A 14 -14.643 -11.927 -21.318 1.00 0.00 O ATOM 253 CB TYR A 14 -11.897 -10.985 -20.396 1.00 0.00 C ATOM 254 CG TYR A 14 -11.910 -12.496 -20.456 1.00 0.00 C ATOM 255 CD1 TYR A 14 -11.850 -13.164 -21.672 1.00 0.00 C ATOM 256 CD2 TYR A 14 -11.981 -13.255 -19.294 1.00 0.00 C ATOM 257 CE1 TYR A 14 -11.862 -14.544 -21.731 1.00 0.00 C ATOM 258 CE2 TYR A 14 -11.992 -14.636 -19.343 1.00 0.00 C ATOM 259 CZ TYR A 14 -11.933 -15.275 -20.564 1.00 0.00 C ATOM 260 OH TYR A 14 -11.944 -16.650 -20.618 1.00 0.00 O ATOM 0 H TYR A 14 -12.365 -8.522 -20.437 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.589 -10.638 -22.401 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.884 -10.631 -20.588 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.160 -10.667 -19.387 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.793 -12.594 -22.588 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.028 -12.757 -18.337 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.816 -15.047 -22.685 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.046 -15.212 -18.431 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.996 -17.013 -19.709 1.00 0.00 H new ATOM 270 N PHE A 15 -15.102 -9.835 -20.629 1.00 0.00 N ATOM 271 CA PHE A 15 -16.496 -10.127 -20.316 1.00 0.00 C ATOM 272 C PHE A 15 -17.422 -9.592 -21.404 1.00 0.00 C ATOM 273 O PHE A 15 -17.220 -8.493 -21.921 1.00 0.00 O ATOM 274 CB PHE A 15 -16.875 -9.518 -18.964 1.00 0.00 C ATOM 275 CG PHE A 15 -16.399 -10.324 -17.789 1.00 0.00 C ATOM 276 CD1 PHE A 15 -15.102 -10.811 -17.746 1.00 0.00 C ATOM 277 CD2 PHE A 15 -17.248 -10.595 -16.728 1.00 0.00 C ATOM 278 CE1 PHE A 15 -14.660 -11.552 -16.667 1.00 0.00 C ATOM 279 CE2 PHE A 15 -16.811 -11.335 -15.646 1.00 0.00 C ATOM 280 CZ PHE A 15 -15.517 -11.816 -15.615 1.00 0.00 C ATOM 0 H PHE A 15 -14.823 -8.871 -20.450 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.612 -11.210 -20.265 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.458 -8.513 -18.898 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -17.959 -9.418 -18.911 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -14.429 -10.609 -18.566 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -18.262 -10.224 -16.747 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -13.646 -11.924 -16.645 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -17.482 -11.537 -14.824 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.175 -12.397 -14.771 1.00 0.00 H new ATOM 290 N ARG A 16 -18.437 -10.378 -21.748 1.00 0.00 N ATOM 291 CA ARG A 16 -19.393 -9.985 -22.776 1.00 0.00 C ATOM 292 C ARG A 16 -19.936 -8.585 -22.508 1.00 0.00 C ATOM 293 O ARG A 16 -19.699 -8.010 -21.444 1.00 0.00 O ATOM 294 CB ARG A 16 -20.547 -10.988 -22.839 1.00 0.00 C ATOM 295 CG ARG A 16 -21.212 -11.066 -24.204 1.00 0.00 C ATOM 296 CD ARG A 16 -22.009 -12.352 -24.362 1.00 0.00 C ATOM 297 NE ARG A 16 -21.173 -13.462 -24.811 1.00 0.00 N ATOM 298 CZ ARG A 16 -21.658 -14.636 -25.200 1.00 0.00 C ATOM 299 NH1 ARG A 16 -22.966 -14.852 -25.195 1.00 0.00 N ATOM 300 NH2 ARG A 16 -20.833 -15.598 -25.595 1.00 0.00 N ATOM 0 H ARG A 16 -18.618 -11.291 -21.330 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.874 -9.977 -23.735 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.174 -11.976 -22.569 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.295 -10.715 -22.095 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.872 -10.209 -24.338 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.453 -11.009 -24.984 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -22.474 -12.610 -23.410 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -22.816 -12.193 -25.078 1.00 0.00 H new ATOM 0 HE ARG A 16 -20.162 -13.329 -24.827 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.603 -14.116 -24.892 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -23.335 -15.755 -25.494 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -19.826 -15.436 -25.600 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -21.206 -16.499 -25.894 1.00 0.00 H new ATOM 314 N ILE A 17 -20.663 -8.042 -23.478 1.00 0.00 N ATOM 315 CA ILE A 17 -21.239 -6.709 -23.346 1.00 0.00 C ATOM 316 C ILE A 17 -22.047 -6.585 -22.058 1.00 0.00 C ATOM 317 O ILE A 17 -22.261 -5.484 -21.550 1.00 0.00 O ATOM 318 CB ILE A 17 -22.147 -6.367 -24.542 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.442 -6.706 -25.857 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.536 -4.897 -24.507 1.00 0.00 C ATOM 321 CD1 ILE A 17 -21.912 -5.870 -27.027 1.00 0.00 C ATOM 0 H ILE A 17 -20.867 -8.504 -24.364 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.406 -6.006 -23.320 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.056 -6.965 -24.474 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.368 -6.568 -25.730 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.603 -7.760 -26.085 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.178 -4.670 -25.358 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.072 -4.684 -23.582 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.638 -4.282 -24.556 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.370 -6.164 -27.926 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.980 -6.026 -27.180 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.725 -4.816 -26.819 1.00 0.00 H new ATOM 333 N LYS A 18 -22.492 -7.722 -21.533 1.00 0.00 N ATOM 334 CA LYS A 18 -23.273 -7.743 -20.302 1.00 0.00 C ATOM 335 C LYS A 18 -22.658 -6.823 -19.252 1.00 0.00 C ATOM 336 O LYS A 18 -23.351 -6.001 -18.653 1.00 0.00 O ATOM 337 CB LYS A 18 -23.364 -9.169 -19.756 1.00 0.00 C ATOM 338 CG LYS A 18 -24.790 -9.656 -19.561 1.00 0.00 C ATOM 339 CD LYS A 18 -25.467 -9.947 -20.890 1.00 0.00 C ATOM 340 CE LYS A 18 -26.822 -9.264 -20.987 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.326 -9.227 -22.388 1.00 0.00 N ATOM 0 H LYS A 18 -22.325 -8.642 -21.941 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.276 -7.384 -20.531 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.849 -9.844 -20.439 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.839 -9.218 -18.802 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.787 -10.557 -18.948 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.361 -8.903 -19.018 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.829 -9.609 -21.706 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.592 -11.023 -21.008 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -27.539 -9.790 -20.357 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.744 -8.247 -20.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.252 -8.754 -22.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.654 -8.704 -22.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.425 -10.198 -22.747 1.00 0.00 H new ATOM 355 N GLU A 19 -21.355 -6.968 -19.035 1.00 0.00 N ATOM 356 CA GLU A 19 -20.648 -6.149 -18.057 1.00 0.00 C ATOM 357 C GLU A 19 -20.747 -4.668 -18.415 1.00 0.00 C ATOM 358 O GLU A 19 -21.158 -3.846 -17.595 1.00 0.00 O ATOM 359 CB GLU A 19 -19.179 -6.568 -17.974 1.00 0.00 C ATOM 360 CG GLU A 19 -18.952 -7.832 -17.163 1.00 0.00 C ATOM 361 CD GLU A 19 -19.489 -7.723 -15.750 1.00 0.00 C ATOM 362 OE1 GLU A 19 -20.701 -7.955 -15.557 1.00 0.00 O ATOM 363 OE2 GLU A 19 -18.699 -7.405 -14.837 1.00 0.00 O ATOM 0 H GLU A 19 -20.768 -7.644 -19.523 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.117 -6.303 -17.085 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.796 -6.720 -18.983 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.602 -5.755 -17.533 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.431 -8.672 -17.666 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.884 -8.049 -17.126 1.00 0.00 H new ATOM 370 N LEU A 20 -20.366 -4.336 -19.643 1.00 0.00 N ATOM 371 CA LEU A 20 -20.411 -2.954 -20.110 1.00 0.00 C ATOM 372 C LEU A 20 -21.826 -2.394 -20.020 1.00 0.00 C ATOM 373 O LEU A 20 -22.020 -1.199 -19.800 1.00 0.00 O ATOM 374 CB LEU A 20 -19.906 -2.866 -21.552 1.00 0.00 C ATOM 375 CG LEU A 20 -18.419 -3.154 -21.761 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.167 -4.653 -21.809 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.920 -2.487 -23.034 1.00 0.00 C ATOM 0 H LEU A 20 -20.023 -5.004 -20.333 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.763 -2.358 -19.467 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.480 -3.565 -22.160 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.119 -1.866 -21.930 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.867 -2.740 -20.917 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.103 -4.839 -21.958 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.486 -5.106 -20.870 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.731 -5.091 -22.633 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.860 -2.703 -23.166 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.478 -2.870 -23.888 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.064 -1.409 -22.961 1.00 0.00 H new ATOM 389 N LYS A 21 -22.814 -3.267 -20.189 1.00 0.00 N ATOM 390 CA LYS A 21 -24.213 -2.862 -20.124 1.00 0.00 C ATOM 391 C LYS A 21 -24.597 -2.458 -18.704 1.00 0.00 C ATOM 392 O LYS A 21 -25.243 -1.431 -18.494 1.00 0.00 O ATOM 393 CB LYS A 21 -25.118 -3.999 -20.604 1.00 0.00 C ATOM 394 CG LYS A 21 -26.323 -3.524 -21.396 1.00 0.00 C ATOM 395 CD LYS A 21 -27.435 -4.561 -21.395 1.00 0.00 C ATOM 396 CE LYS A 21 -27.811 -4.975 -22.809 1.00 0.00 C ATOM 397 NZ LYS A 21 -28.561 -3.903 -23.521 1.00 0.00 N ATOM 0 H LYS A 21 -22.671 -4.260 -20.372 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.346 -2.000 -20.777 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.534 -4.681 -21.222 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.463 -4.567 -19.740 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.694 -2.591 -20.972 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.024 -3.311 -22.422 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.116 -5.437 -20.831 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -28.311 -4.156 -20.888 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.908 -5.219 -23.368 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.418 -5.880 -22.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -28.799 -4.225 -24.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -29.436 -3.688 -23.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -27.973 -3.047 -23.578 1.00 0.00 H new ATOM 411 N ASP A 22 -24.194 -3.270 -17.733 1.00 0.00 N ATOM 412 CA ASP A 22 -24.493 -2.995 -16.333 1.00 0.00 C ATOM 413 C ASP A 22 -23.844 -1.689 -15.884 1.00 0.00 C ATOM 414 O ASP A 22 -24.440 -0.914 -15.135 1.00 0.00 O ATOM 415 CB ASP A 22 -24.011 -4.148 -15.450 1.00 0.00 C ATOM 416 CG ASP A 22 -24.768 -4.229 -14.139 1.00 0.00 C ATOM 417 OD1 ASP A 22 -25.984 -3.944 -14.137 1.00 0.00 O ATOM 418 OD2 ASP A 22 -24.144 -4.579 -13.116 1.00 0.00 O ATOM 0 H ASP A 22 -23.659 -4.124 -17.890 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.574 -2.896 -16.231 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -24.125 -5.088 -15.990 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -22.948 -4.025 -15.245 1.00 0.00 H new ATOM 423 N ILE A 23 -22.621 -1.453 -16.347 1.00 0.00 N ATOM 424 CA ILE A 23 -21.892 -0.241 -15.993 1.00 0.00 C ATOM 425 C ILE A 23 -22.550 0.993 -16.600 1.00 0.00 C ATOM 426 O ILE A 23 -22.934 1.920 -15.886 1.00 0.00 O ATOM 427 CB ILE A 23 -20.426 -0.310 -16.460 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.715 -1.496 -15.806 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.706 0.991 -16.137 1.00 0.00 C ATOM 430 CD1 ILE A 23 -19.761 -1.469 -14.294 1.00 0.00 C ATOM 0 H ILE A 23 -22.114 -2.084 -16.968 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.915 -0.164 -14.906 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.410 -0.453 -17.541 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.170 -2.422 -16.159 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.674 -1.509 -16.130 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.671 0.927 -16.473 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.202 1.817 -16.646 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.728 1.162 -15.061 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.238 -2.339 -13.898 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -19.280 -0.561 -13.932 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -20.799 -1.488 -13.961 1.00 0.00 H new ATOM 442 N LEU A 24 -22.680 0.998 -17.922 1.00 0.00 N ATOM 443 CA LEU A 24 -23.294 2.118 -18.627 1.00 0.00 C ATOM 444 C LEU A 24 -24.728 2.338 -18.154 1.00 0.00 C ATOM 445 O LEU A 24 -25.252 3.448 -18.228 1.00 0.00 O ATOM 446 CB LEU A 24 -23.275 1.868 -20.136 1.00 0.00 C ATOM 447 CG LEU A 24 -24.637 1.854 -20.831 1.00 0.00 C ATOM 448 CD1 LEU A 24 -24.480 2.128 -22.318 1.00 0.00 C ATOM 449 CD2 LEU A 24 -25.338 0.522 -20.603 1.00 0.00 C ATOM 0 H LEU A 24 -22.368 0.239 -18.528 1.00 0.00 H new ATOM 0 HA LEU A 24 -22.716 3.016 -18.407 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.659 2.636 -20.604 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.786 0.911 -20.319 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.252 2.644 -20.400 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -25.460 2.114 -22.796 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -24.020 3.106 -22.461 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -23.848 1.361 -22.765 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.306 0.530 -21.105 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.726 -0.285 -21.007 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.485 0.366 -19.534 1.00 0.00 H new ATOM 461 N ASN A 25 -25.355 1.273 -17.667 1.00 0.00 N ATOM 462 CA ASN A 25 -26.728 1.350 -17.180 1.00 0.00 C ATOM 463 C ASN A 25 -26.785 2.045 -15.823 1.00 0.00 C ATOM 464 O ASN A 25 -27.624 2.917 -15.598 1.00 0.00 O ATOM 465 CB ASN A 25 -27.333 -0.051 -17.074 1.00 0.00 C ATOM 466 CG ASN A 25 -28.382 -0.147 -15.983 1.00 0.00 C ATOM 467 OD1 ASN A 25 -27.943 -0.435 -14.763 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.573 0.037 -16.234 1.00 0.00 N flip ATOM 0 H ASN A 25 -24.935 0.346 -17.599 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.308 1.936 -17.893 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.781 -0.324 -18.030 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.540 -0.772 -16.876 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.866 0.256 -17.186 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.267 -0.030 -15.490 1.00 0.00 H new ATOM 475 N GLN A 26 -25.888 1.653 -14.925 1.00 0.00 N ATOM 476 CA GLN A 26 -25.837 2.239 -13.591 1.00 0.00 C ATOM 477 C GLN A 26 -25.371 3.690 -13.651 1.00 0.00 C ATOM 478 O GLN A 26 -25.731 4.505 -12.800 1.00 0.00 O ATOM 479 CB GLN A 26 -24.905 1.428 -12.690 1.00 0.00 C ATOM 480 CG GLN A 26 -25.558 0.191 -12.094 1.00 0.00 C ATOM 481 CD GLN A 26 -24.554 -0.751 -11.460 1.00 0.00 C ATOM 482 OE1 GLN A 26 -24.706 -1.153 -10.306 1.00 0.00 O ATOM 483 NE2 GLN A 26 -23.520 -1.109 -12.212 1.00 0.00 N ATOM 0 H GLN A 26 -25.187 0.932 -15.097 1.00 0.00 H new ATOM 0 HA GLN A 26 -26.844 2.217 -13.173 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.030 1.125 -13.265 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.549 2.066 -11.881 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.288 0.496 -11.344 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -26.105 -0.338 -12.874 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.433 -0.752 -13.163 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -22.812 -1.741 -11.838 1.00 0.00 H new ATOM 492 N LEU A 27 -24.567 4.007 -14.660 1.00 0.00 N ATOM 493 CA LEU A 27 -24.050 5.360 -14.831 1.00 0.00 C ATOM 494 C LEU A 27 -25.176 6.335 -15.162 1.00 0.00 C ATOM 495 O LEU A 27 -25.094 7.522 -14.851 1.00 0.00 O ATOM 496 CB LEU A 27 -22.994 5.388 -15.938 1.00 0.00 C ATOM 497 CG LEU A 27 -21.628 4.805 -15.576 1.00 0.00 C ATOM 498 CD1 LEU A 27 -20.899 4.338 -16.827 1.00 0.00 C ATOM 499 CD2 LEU A 27 -20.793 5.829 -14.822 1.00 0.00 C ATOM 0 H LEU A 27 -24.259 3.345 -15.372 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.591 5.669 -13.892 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -23.383 4.843 -16.798 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.854 6.422 -16.253 1.00 0.00 H new ATOM 0 HG LEU A 27 -21.783 3.943 -14.927 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.929 3.926 -16.550 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.490 3.571 -17.327 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -20.756 5.182 -17.501 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.824 5.396 -14.573 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -20.647 6.710 -15.447 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -21.309 6.115 -13.906 1.00 0.00 H new ATOM 619 N LYS A 35 -19.123 -1.961 -28.582 1.00 0.00 N ATOM 620 CA LYS A 35 -18.226 -2.402 -27.520 1.00 0.00 C ATOM 621 C LYS A 35 -17.065 -1.427 -27.350 1.00 0.00 C ATOM 622 O LYS A 35 -16.511 -1.294 -26.259 1.00 0.00 O ATOM 623 CB LYS A 35 -17.690 -3.802 -27.825 1.00 0.00 C ATOM 624 CG LYS A 35 -18.375 -4.902 -27.034 1.00 0.00 C ATOM 625 CD LYS A 35 -18.110 -4.764 -25.544 1.00 0.00 C ATOM 626 CE LYS A 35 -16.848 -5.506 -25.131 1.00 0.00 C ATOM 627 NZ LYS A 35 -17.113 -6.948 -24.869 1.00 0.00 N ATOM 0 HA LYS A 35 -18.792 -2.432 -26.589 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.809 -4.003 -28.890 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.621 -3.826 -27.614 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.449 -4.869 -27.218 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.022 -5.874 -27.379 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.014 -3.709 -25.287 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.961 -5.152 -24.985 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.098 -5.411 -25.916 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.432 -5.045 -24.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.228 -7.418 -24.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.810 -7.039 -24.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.486 -7.395 -25.731 1.00 0.00 H new ATOM 641 N GLN A 36 -16.704 -0.748 -28.434 1.00 0.00 N ATOM 642 CA GLN A 36 -15.609 0.214 -28.402 1.00 0.00 C ATOM 643 C GLN A 36 -15.998 1.455 -27.605 1.00 0.00 C ATOM 644 O GLN A 36 -15.247 1.911 -26.742 1.00 0.00 O ATOM 645 CB GLN A 36 -15.210 0.612 -29.824 1.00 0.00 C ATOM 646 CG GLN A 36 -13.940 -0.066 -30.312 1.00 0.00 C ATOM 647 CD GLN A 36 -12.718 0.337 -29.510 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.464 -0.376 -28.419 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -12.010 1.279 -29.867 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.153 -0.846 -29.344 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.758 -0.259 -27.912 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.027 0.367 -30.503 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.074 1.693 -29.865 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.066 -1.147 -30.257 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.780 0.183 -31.361 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.242 1.800 -30.713 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.191 1.539 -29.317 1.00 0.00 H new ATOM 658 N ASP A 37 -17.175 1.996 -27.898 1.00 0.00 N ATOM 659 CA ASP A 37 -17.664 3.184 -27.208 1.00 0.00 C ATOM 660 C ASP A 37 -17.827 2.916 -25.715 1.00 0.00 C ATOM 661 O ASP A 37 -17.378 3.702 -24.880 1.00 0.00 O ATOM 662 CB ASP A 37 -18.997 3.635 -27.807 1.00 0.00 C ATOM 663 CG ASP A 37 -18.894 4.977 -28.505 1.00 0.00 C ATOM 664 OD1 ASP A 37 -18.469 5.003 -29.679 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.237 6.000 -27.878 1.00 0.00 O ATOM 0 H ASP A 37 -17.809 1.631 -28.609 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.929 3.979 -27.338 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.345 2.885 -28.517 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.745 3.696 -27.016 1.00 0.00 H new ATOM 670 N LEU A 38 -18.474 1.803 -25.386 1.00 0.00 N ATOM 671 CA LEU A 38 -18.698 1.432 -23.993 1.00 0.00 C ATOM 672 C LEU A 38 -17.374 1.290 -23.248 1.00 0.00 C ATOM 673 O LEU A 38 -17.152 1.943 -22.228 1.00 0.00 O ATOM 674 CB LEU A 38 -19.484 0.123 -23.914 1.00 0.00 C ATOM 675 CG LEU A 38 -20.926 0.174 -24.420 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.601 -1.178 -24.247 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.708 1.259 -23.693 1.00 0.00 C ATOM 0 H LEU A 38 -18.852 1.142 -26.065 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.277 2.225 -23.519 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.947 -0.635 -24.484 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.496 -0.208 -22.876 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.909 0.415 -25.483 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.626 -1.122 -24.613 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -21.055 -1.933 -24.813 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.606 -1.450 -23.191 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.732 1.281 -24.066 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.715 1.048 -22.624 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.237 2.226 -23.868 1.00 0.00 H new ATOM 689 N ILE A 39 -16.499 0.434 -23.765 1.00 0.00 N ATOM 690 CA ILE A 39 -15.197 0.209 -23.150 1.00 0.00 C ATOM 691 C ILE A 39 -14.464 1.526 -22.917 1.00 0.00 C ATOM 692 O ILE A 39 -14.034 1.819 -21.802 1.00 0.00 O ATOM 693 CB ILE A 39 -14.316 -0.709 -24.018 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.520 -2.173 -23.621 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.852 -0.318 -23.885 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.787 -3.086 -24.796 1.00 0.00 C ATOM 0 H ILE A 39 -16.668 -0.115 -24.608 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.380 -0.277 -22.192 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.611 -0.590 -25.061 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.634 -2.524 -23.092 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.355 -2.239 -22.923 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.242 -0.976 -24.504 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.720 0.713 -24.212 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.544 -0.411 -22.844 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.922 -4.107 -24.440 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.690 -2.760 -25.312 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.942 -3.050 -25.484 1.00 0.00 H new ATOM 708 N ASP A 40 -14.328 2.316 -23.977 1.00 0.00 N ATOM 709 CA ASP A 40 -13.650 3.604 -23.887 1.00 0.00 C ATOM 710 C ASP A 40 -14.313 4.496 -22.843 1.00 0.00 C ATOM 711 O ASP A 40 -13.657 5.330 -22.218 1.00 0.00 O ATOM 712 CB ASP A 40 -13.654 4.302 -25.248 1.00 0.00 C ATOM 713 CG ASP A 40 -12.434 5.178 -25.453 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.726 5.450 -24.461 1.00 0.00 O ATOM 715 OD2 ASP A 40 -12.188 5.593 -26.605 1.00 0.00 O ATOM 0 H ASP A 40 -14.678 2.087 -24.907 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.619 3.423 -23.582 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.696 3.552 -26.038 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.554 4.910 -25.338 1.00 0.00 H new ATOM 720 N ARG A 41 -15.617 4.315 -22.659 1.00 0.00 N ATOM 721 CA ARG A 41 -16.369 5.105 -21.692 1.00 0.00 C ATOM 722 C ARG A 41 -15.956 4.754 -20.265 1.00 0.00 C ATOM 723 O ARG A 41 -15.670 5.637 -19.456 1.00 0.00 O ATOM 724 CB ARG A 41 -17.871 4.875 -21.871 1.00 0.00 C ATOM 725 CG ARG A 41 -18.625 6.109 -22.336 1.00 0.00 C ATOM 726 CD ARG A 41 -19.041 6.983 -21.163 1.00 0.00 C ATOM 727 NE ARG A 41 -19.922 8.072 -21.578 1.00 0.00 N ATOM 728 CZ ARG A 41 -20.137 9.161 -20.849 1.00 0.00 C ATOM 729 NH1 ARG A 41 -19.537 9.307 -19.675 1.00 0.00 N ATOM 730 NH2 ARG A 41 -20.953 10.109 -21.294 1.00 0.00 N ATOM 0 H ARG A 41 -16.174 3.628 -23.167 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.146 6.157 -21.868 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.024 4.073 -22.593 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.293 4.537 -20.925 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.998 6.685 -23.016 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.509 5.806 -22.897 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.548 6.371 -20.417 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.153 7.397 -20.686 1.00 0.00 H new ATOM 0 HE ARG A 41 -20.398 7.992 -22.477 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.908 8.582 -19.330 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -19.704 10.145 -19.117 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -21.416 10.001 -22.197 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.117 10.945 -20.733 1.00 0.00 H new ATOM 744 N VAL A 42 -15.928 3.460 -19.964 1.00 0.00 N ATOM 745 CA VAL A 42 -15.550 2.992 -18.635 1.00 0.00 C ATOM 746 C VAL A 42 -14.159 3.485 -18.255 1.00 0.00 C ATOM 747 O VAL A 42 -13.977 4.127 -17.219 1.00 0.00 O ATOM 748 CB VAL A 42 -15.579 1.455 -18.553 1.00 0.00 C ATOM 749 CG1 VAL A 42 -14.902 0.976 -17.277 1.00 0.00 C ATOM 750 CG2 VAL A 42 -17.010 0.944 -18.630 1.00 0.00 C ATOM 0 H VAL A 42 -16.162 2.717 -20.622 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.280 3.399 -17.935 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.027 1.053 -19.403 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.932 -0.113 -17.236 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.865 1.311 -17.268 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.424 1.386 -16.412 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.011 -0.144 -18.571 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.588 1.353 -17.801 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.458 1.256 -19.573 1.00 0.00 H new ATOM 760 N LEU A 43 -13.178 3.182 -19.099 1.00 0.00 N ATOM 761 CA LEU A 43 -11.801 3.594 -18.851 1.00 0.00 C ATOM 762 C LEU A 43 -11.697 5.113 -18.755 1.00 0.00 C ATOM 763 O LEU A 43 -10.944 5.642 -17.938 1.00 0.00 O ATOM 764 CB LEU A 43 -10.886 3.078 -19.964 1.00 0.00 C ATOM 765 CG LEU A 43 -11.145 1.647 -20.436 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.982 1.144 -21.277 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.384 0.728 -19.247 1.00 0.00 C ATOM 0 H LEU A 43 -13.311 2.653 -19.961 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.484 3.165 -17.900 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.979 3.745 -20.821 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.854 3.144 -19.619 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.042 1.646 -21.056 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.184 0.124 -21.604 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.858 1.787 -22.149 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.069 1.160 -20.682 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.567 -0.286 -19.602 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.506 0.734 -18.601 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.250 1.077 -18.686 1.00 0.00 H new ATOM 779 N ALA A 44 -12.459 5.808 -19.593 1.00 0.00 N ATOM 780 CA ALA A 44 -12.455 7.265 -19.599 1.00 0.00 C ATOM 781 C ALA A 44 -13.016 7.821 -18.294 1.00 0.00 C ATOM 782 O ALA A 44 -12.689 8.939 -17.892 1.00 0.00 O ATOM 783 CB ALA A 44 -13.252 7.790 -20.784 1.00 0.00 C ATOM 0 H ALA A 44 -13.087 5.385 -20.277 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.422 7.600 -19.692 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.241 8.880 -20.776 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.806 7.429 -21.711 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.281 7.437 -20.715 1.00 0.00 H new ATOM 789 N LEU A 45 -13.862 7.036 -17.638 1.00 0.00 N ATOM 790 CA LEU A 45 -14.470 7.450 -16.378 1.00 0.00 C ATOM 791 C LEU A 45 -13.500 7.258 -15.216 1.00 0.00 C ATOM 792 O LEU A 45 -13.358 8.132 -14.361 1.00 0.00 O ATOM 793 CB LEU A 45 -15.753 6.657 -16.122 1.00 0.00 C ATOM 794 CG LEU A 45 -15.835 5.928 -14.781 1.00 0.00 C ATOM 795 CD1 LEU A 45 -16.123 6.910 -13.656 1.00 0.00 C ATOM 796 CD2 LEU A 45 -16.900 4.842 -14.829 1.00 0.00 C ATOM 0 H LEU A 45 -14.143 6.109 -17.957 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.714 8.510 -16.453 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.599 7.340 -16.194 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.868 5.923 -16.919 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.872 5.456 -14.586 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.178 6.373 -12.709 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.325 7.651 -13.607 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.073 7.411 -13.844 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.945 4.333 -13.866 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -17.869 5.292 -15.047 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.651 4.122 -15.608 1.00 0.00 H new ATOM 808 N LEU A 46 -12.833 6.109 -15.194 1.00 0.00 N ATOM 809 CA LEU A 46 -11.873 5.803 -14.138 1.00 0.00 C ATOM 810 C LEU A 46 -10.524 6.456 -14.422 1.00 0.00 C ATOM 811 O LEU A 46 -9.618 6.423 -13.589 1.00 0.00 O ATOM 812 CB LEU A 46 -11.701 4.289 -14.002 1.00 0.00 C ATOM 813 CG LEU A 46 -12.967 3.451 -14.186 1.00 0.00 C ATOM 814 CD1 LEU A 46 -12.615 1.979 -14.342 1.00 0.00 C ATOM 815 CD2 LEU A 46 -13.916 3.653 -13.014 1.00 0.00 C ATOM 0 H LEU A 46 -12.939 5.375 -15.894 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.260 6.205 -13.201 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.962 3.960 -14.733 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.289 4.077 -13.015 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.469 3.782 -15.095 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.528 1.398 -14.472 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.975 1.848 -15.215 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.089 1.634 -13.452 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.811 3.049 -13.162 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.423 3.350 -12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.195 4.705 -12.949 1.00 0.00 H new ATOM 827 N THR A 47 -10.398 7.051 -15.604 1.00 0.00 N ATOM 828 CA THR A 47 -9.160 7.713 -15.998 1.00 0.00 C ATOM 829 C THR A 47 -9.355 9.221 -16.110 1.00 0.00 C ATOM 830 O THR A 47 -8.739 9.992 -15.375 1.00 0.00 O ATOM 831 CB THR A 47 -8.638 7.173 -17.343 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.445 5.756 -17.260 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.328 7.846 -17.724 1.00 0.00 C ATOM 0 H THR A 47 -11.138 7.088 -16.305 1.00 0.00 H new ATOM 0 HA THR A 47 -8.426 7.501 -15.220 1.00 0.00 H new ATOM 0 HB THR A 47 -9.379 7.394 -18.111 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.299 5.300 -17.414 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.979 7.449 -18.677 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.484 8.921 -17.814 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.581 7.651 -16.954 1.00 0.00 H new ATOM 841 N ASP A 48 -10.215 9.634 -17.034 1.00 0.00 N ATOM 842 CA ASP A 48 -10.492 11.051 -17.241 1.00 0.00 C ATOM 843 C ASP A 48 -11.393 11.596 -16.137 1.00 0.00 C ATOM 844 O ASP A 48 -11.587 12.805 -16.022 1.00 0.00 O ATOM 845 CB ASP A 48 -11.148 11.270 -18.606 1.00 0.00 C ATOM 846 CG ASP A 48 -10.242 12.011 -19.570 1.00 0.00 C ATOM 847 OD1 ASP A 48 -10.022 13.222 -19.365 1.00 0.00 O ATOM 848 OD2 ASP A 48 -9.755 11.379 -20.531 1.00 0.00 O ATOM 0 H ASP A 48 -10.732 9.008 -17.652 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.545 11.589 -17.211 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.419 10.305 -19.035 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.073 11.832 -18.476 1.00 0.00 H new ATOM 853 N GLU A 49 -11.941 10.694 -15.329 1.00 0.00 N ATOM 854 CA GLU A 49 -12.823 11.085 -14.235 1.00 0.00 C ATOM 855 C GLU A 49 -12.362 10.469 -12.917 1.00 0.00 C ATOM 856 O GLU A 49 -13.148 10.317 -11.983 1.00 0.00 O ATOM 857 CB GLU A 49 -14.262 10.659 -14.534 1.00 0.00 C ATOM 858 CG GLU A 49 -15.195 11.823 -14.819 1.00 0.00 C ATOM 859 CD GLU A 49 -16.644 11.394 -14.940 1.00 0.00 C ATOM 860 OE1 GLU A 49 -16.891 10.189 -15.154 1.00 0.00 O ATOM 861 OE2 GLU A 49 -17.532 12.264 -14.819 1.00 0.00 O ATOM 0 H GLU A 49 -11.790 9.689 -15.411 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.785 12.170 -14.142 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.262 9.986 -15.392 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.648 10.094 -13.686 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.104 12.560 -14.021 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.887 12.313 -15.743 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.854 4.998 -10.338 1.00 0.00 N ATOM 1077 CA LEU A 63 -21.271 5.734 -11.454 1.00 0.00 C ATOM 1078 C LEU A 63 -19.842 6.162 -11.136 1.00 0.00 C ATOM 1079 O LEU A 63 -19.370 7.194 -11.615 1.00 0.00 O ATOM 1080 CB LEU A 63 -22.122 6.961 -11.783 1.00 0.00 C ATOM 1081 CG LEU A 63 -22.497 7.855 -10.600 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -21.504 8.998 -10.459 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -23.911 8.391 -10.763 1.00 0.00 C ATOM 0 HA LEU A 63 -21.249 5.073 -12.321 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -21.585 7.566 -12.514 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -23.041 6.623 -12.263 1.00 0.00 H new ATOM 0 HG LEU A 63 -22.461 7.255 -9.691 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -21.787 9.623 -9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -20.505 8.594 -10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -21.507 9.597 -11.370 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -24.160 9.025 -9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -23.975 8.975 -11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -24.612 7.558 -10.813 1.00 0.00 H new ATOM 1095 N THR A 64 -19.155 5.362 -10.327 1.00 0.00 N ATOM 1096 CA THR A 64 -17.780 5.657 -9.946 1.00 0.00 C ATOM 1097 C THR A 64 -16.931 4.391 -9.925 1.00 0.00 C ATOM 1098 O THR A 64 -17.422 3.297 -10.203 1.00 0.00 O ATOM 1099 CB THR A 64 -17.713 6.329 -8.561 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.691 5.753 -7.689 1.00 0.00 O ATOM 1101 CG2 THR A 64 -17.947 7.828 -8.675 1.00 0.00 C ATOM 0 H THR A 64 -19.529 4.504 -9.923 1.00 0.00 H new ATOM 0 HA THR A 64 -17.385 6.343 -10.695 1.00 0.00 H new ATOM 0 HB THR A 64 -16.718 6.163 -8.149 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.641 6.184 -6.811 1.00 0.00 H new ATOM 0 HG21 THR A 64 -17.895 8.281 -7.685 1.00 0.00 H new ATOM 0 HG22 THR A 64 -17.183 8.268 -9.316 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.931 8.011 -9.106 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.654 4.546 -9.594 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.736 3.415 -9.535 1.00 0.00 C ATOM 1111 C LYS A 65 -15.305 2.296 -8.669 1.00 0.00 C ATOM 1112 O LYS A 65 -15.096 1.116 -8.948 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.379 3.861 -8.983 1.00 0.00 C ATOM 1114 CG LYS A 65 -12.459 4.451 -10.037 1.00 0.00 C ATOM 1115 CD LYS A 65 -11.060 4.682 -9.490 1.00 0.00 C ATOM 1116 CE LYS A 65 -11.059 5.729 -8.387 1.00 0.00 C ATOM 1117 NZ LYS A 65 -9.723 6.369 -8.232 1.00 0.00 N ATOM 0 H LYS A 65 -15.231 5.445 -9.362 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.603 3.035 -10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.540 4.600 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.886 3.007 -8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.409 3.780 -10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.871 5.395 -10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.660 3.745 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.401 5.002 -10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.804 6.493 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.351 5.265 -7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.763 7.076 -7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.016 5.644 -7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.455 6.834 -9.123 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.027 2.676 -7.618 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.627 1.703 -6.713 1.00 0.00 C ATOM 1133 C GLU A 66 -17.635 0.825 -7.448 1.00 0.00 C ATOM 1134 O GLU A 66 -17.634 -0.397 -7.300 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.311 2.415 -5.544 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.359 2.801 -4.425 1.00 0.00 C ATOM 1137 CD GLU A 66 -14.959 3.096 -4.925 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -14.187 2.134 -5.126 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -14.634 4.286 -5.116 1.00 0.00 O ATOM 0 H GLU A 66 -16.210 3.649 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.831 1.066 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.805 3.313 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.089 1.767 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.748 3.678 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.317 1.993 -3.694 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.494 1.456 -8.241 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.506 0.733 -9.001 1.00 0.00 C ATOM 1148 C ALA A 67 -18.864 -0.202 -10.019 1.00 0.00 C ATOM 1149 O ALA A 67 -19.192 -1.387 -10.082 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.443 1.711 -9.695 1.00 0.00 C ATOM 0 H ALA A 67 -18.509 2.467 -8.374 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.084 0.126 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.194 1.158 -10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -20.936 2.334 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -19.871 2.343 -10.375 1.00 0.00 H new ATOM 1156 N VAL A 68 -17.948 0.338 -10.817 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.259 -0.449 -11.833 1.00 0.00 C ATOM 1158 C VAL A 68 -16.577 -1.665 -11.217 1.00 0.00 C ATOM 1159 O VAL A 68 -16.700 -2.781 -11.723 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.207 0.394 -12.578 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.599 -0.401 -13.723 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -16.823 1.689 -13.084 1.00 0.00 C ATOM 0 H VAL A 68 -17.666 1.317 -10.779 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.016 -0.782 -12.543 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.409 0.647 -11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.858 0.211 -14.238 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.119 -1.297 -13.329 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.383 -0.687 -14.424 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.065 2.272 -13.608 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.641 1.460 -13.767 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.205 2.264 -12.240 1.00 0.00 H new ATOM 1172 N ALA A 69 -15.858 -1.443 -10.122 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.158 -2.521 -9.435 1.00 0.00 C ATOM 1174 C ALA A 69 -16.141 -3.473 -8.763 1.00 0.00 C ATOM 1175 O ALA A 69 -15.857 -4.660 -8.596 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.187 -1.952 -8.411 1.00 0.00 C ATOM 0 H ALA A 69 -15.745 -0.525 -9.691 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.595 -3.086 -10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.671 -2.769 -7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.457 -1.318 -8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.736 -1.361 -7.678 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.299 -2.946 -8.379 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.326 -3.749 -7.725 1.00 0.00 C ATOM 1184 C LYS A 70 -18.821 -4.857 -8.649 1.00 0.00 C ATOM 1185 O LYS A 70 -18.885 -6.023 -8.257 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.500 -2.864 -7.299 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.683 -3.644 -6.754 1.00 0.00 C ATOM 1188 CD LYS A 70 -21.116 -3.124 -5.394 1.00 0.00 C ATOM 1189 CE LYS A 70 -20.245 -3.685 -4.280 1.00 0.00 C ATOM 1190 NZ LYS A 70 -20.453 -5.149 -4.098 1.00 0.00 N ATOM 0 H LYS A 70 -17.550 -1.966 -8.509 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.884 -4.208 -6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.158 -2.162 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -19.828 -2.273 -8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.517 -3.577 -7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.419 -4.698 -6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.063 -2.035 -5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -22.157 -3.394 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.196 -3.492 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.470 -3.167 -3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.157 -5.425 -3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.460 -5.375 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.888 -5.670 -4.799 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.167 -4.487 -9.877 1.00 0.00 N ATOM 1205 CA ILE A 71 -19.653 -5.451 -10.857 1.00 0.00 C ATOM 1206 C ILE A 71 -18.523 -6.343 -11.358 1.00 0.00 C ATOM 1207 O ILE A 71 -18.728 -7.523 -11.641 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.309 -4.748 -12.060 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.180 -3.583 -11.585 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.135 -5.739 -12.866 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.239 -3.988 -10.584 1.00 0.00 C ATOM 0 H ILE A 71 -19.120 -3.527 -10.217 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.400 -6.064 -10.353 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.523 -4.351 -12.703 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.541 -2.822 -11.138 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.664 -3.126 -12.448 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.592 -5.227 -13.713 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.490 -6.539 -13.230 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -21.915 -6.162 -12.233 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -22.818 -3.112 -10.292 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -22.902 -4.727 -11.034 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -21.762 -4.418 -9.703 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.327 -5.771 -11.463 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.162 -6.515 -11.927 1.00 0.00 C ATOM 1225 C VAL A 72 -15.881 -7.713 -11.027 1.00 0.00 C ATOM 1226 O VAL A 72 -15.659 -8.825 -11.508 1.00 0.00 O ATOM 1227 CB VAL A 72 -14.909 -5.621 -11.978 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -13.649 -6.470 -12.031 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -14.977 -4.677 -13.170 1.00 0.00 C ATOM 0 H VAL A 72 -17.140 -4.795 -11.233 1.00 0.00 H new ATOM 0 HA VAL A 72 -16.391 -6.866 -12.933 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.875 -5.020 -11.069 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.774 -5.821 -12.067 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.597 -7.100 -11.143 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.671 -7.098 -12.921 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.084 -4.053 -13.191 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.036 -5.257 -14.091 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -15.860 -4.044 -13.083 1.00 0.00 H new ATOM 1239 N ASP A 73 -15.894 -7.480 -9.719 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.643 -8.541 -8.751 1.00 0.00 C ATOM 1241 C ASP A 73 -16.843 -9.476 -8.645 1.00 0.00 C ATOM 1242 O ASP A 73 -16.687 -10.692 -8.530 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.324 -7.943 -7.380 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.251 -8.722 -6.644 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.348 -9.266 -7.314 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.315 -8.788 -5.399 1.00 0.00 O ATOM 0 H ASP A 73 -16.076 -6.566 -9.305 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.786 -9.119 -9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.998 -6.910 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.231 -7.921 -6.776 1.00 0.00 H new ATOM 1251 N ASP A 74 -18.040 -8.901 -8.684 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.267 -9.683 -8.593 1.00 0.00 C ATOM 1253 C ASP A 74 -19.389 -10.644 -9.772 1.00 0.00 C ATOM 1254 O ASP A 74 -19.605 -11.842 -9.591 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.484 -8.758 -8.545 1.00 0.00 C ATOM 1256 CG ASP A 74 -20.907 -8.430 -7.127 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -21.644 -9.238 -6.525 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -20.499 -7.365 -6.618 1.00 0.00 O ATOM 0 H ASP A 74 -18.187 -7.896 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 74 -19.228 -10.268 -7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.255 -7.834 -9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.316 -9.229 -9.069 1.00 0.00 H new ATOM 1263 N THR A 75 -19.249 -10.109 -10.981 1.00 0.00 N ATOM 1264 CA THR A 75 -19.346 -10.917 -12.190 1.00 0.00 C ATOM 1265 C THR A 75 -18.187 -11.904 -12.285 1.00 0.00 C ATOM 1266 O THR A 75 -18.364 -13.044 -12.714 1.00 0.00 O ATOM 1267 CB THR A 75 -19.361 -10.038 -13.454 1.00 0.00 C ATOM 1268 OG1 THR A 75 -20.124 -8.850 -13.215 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.951 -10.796 -14.634 1.00 0.00 C ATOM 0 H THR A 75 -19.068 -9.119 -11.149 1.00 0.00 H new ATOM 0 HA THR A 75 -20.285 -11.467 -12.128 1.00 0.00 H new ATOM 0 HB THR A 75 -18.333 -9.768 -13.694 1.00 0.00 H new ATOM 0 HG1 THR A 75 -19.523 -8.123 -12.950 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.951 -10.154 -15.515 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.352 -11.685 -14.832 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.974 -11.093 -14.401 1.00 0.00 H new ATOM 1277 N TYR A 76 -17.002 -11.458 -11.882 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.814 -12.302 -11.924 1.00 0.00 C ATOM 1279 C TYR A 76 -15.930 -13.457 -10.933 1.00 0.00 C ATOM 1280 O TYR A 76 -15.778 -14.622 -11.300 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.565 -11.475 -11.616 1.00 0.00 C ATOM 1282 CG TYR A 76 -13.273 -12.238 -11.802 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -13.128 -13.159 -12.833 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -12.196 -12.038 -10.947 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.950 -13.858 -13.005 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -11.013 -12.732 -11.113 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.895 -13.641 -12.143 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.719 -14.335 -12.313 1.00 0.00 O ATOM 0 H TYR A 76 -16.839 -10.517 -11.523 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.729 -12.717 -12.929 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.554 -10.596 -12.260 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.621 -11.117 -10.588 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.951 -13.331 -13.511 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.285 -11.328 -10.138 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.855 -14.571 -13.810 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.185 -12.563 -10.440 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.077 -14.065 -11.624 1.00 0.00 H new ATOM 1298 N ARG A 77 -16.202 -13.123 -9.676 1.00 0.00 N ATOM 1299 CA ARG A 77 -16.339 -14.131 -8.631 1.00 0.00 C ATOM 1300 C ARG A 77 -17.457 -15.113 -8.966 1.00 0.00 C ATOM 1301 O ARG A 77 -17.372 -16.300 -8.648 1.00 0.00 O ATOM 1302 CB ARG A 77 -16.619 -13.463 -7.283 1.00 0.00 C ATOM 1303 CG ARG A 77 -18.051 -12.977 -7.130 1.00 0.00 C ATOM 1304 CD ARG A 77 -18.294 -12.385 -5.751 1.00 0.00 C ATOM 1305 NE ARG A 77 -17.589 -11.119 -5.566 1.00 0.00 N ATOM 1306 CZ ARG A 77 -17.484 -10.501 -4.395 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -18.034 -11.029 -3.311 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -16.827 -9.351 -4.307 1.00 0.00 N ATOM 0 H ARG A 77 -16.332 -12.163 -9.356 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.401 -14.683 -8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.397 -14.170 -6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.942 -12.618 -7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.265 -12.227 -7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.738 -13.807 -7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.363 -12.229 -5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -17.970 -13.095 -4.990 1.00 0.00 H new ATOM 0 HE ARG A 77 -17.154 -10.686 -6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.540 -11.913 -3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.952 -10.552 -2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -16.402 -8.941 -5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.747 -8.877 -3.407 1.00 0.00 H new ATOM 1322 N LYS A 78 -18.505 -14.612 -9.611 1.00 0.00 N ATOM 1323 CA LYS A 78 -19.641 -15.444 -9.990 1.00 0.00 C ATOM 1324 C LYS A 78 -19.349 -16.208 -11.278 1.00 0.00 C ATOM 1325 O LYS A 78 -19.940 -17.256 -11.536 1.00 0.00 O ATOM 1326 CB LYS A 78 -20.893 -14.583 -10.168 1.00 0.00 C ATOM 1327 CG LYS A 78 -22.180 -15.388 -10.234 1.00 0.00 C ATOM 1328 CD LYS A 78 -22.826 -15.295 -11.607 1.00 0.00 C ATOM 1329 CE LYS A 78 -23.466 -13.933 -11.830 1.00 0.00 C ATOM 1330 NZ LYS A 78 -24.901 -14.051 -12.212 1.00 0.00 N ATOM 0 H LYS A 78 -18.591 -13.633 -9.883 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.814 -16.165 -9.191 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -20.958 -13.876 -9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.794 -13.997 -11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.970 -16.432 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.876 -15.025 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -22.076 -15.476 -12.377 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.581 -16.074 -11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.380 -13.338 -10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.924 -13.401 -12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -25.301 -13.102 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -24.982 -14.597 -13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -25.423 -14.536 -11.455 1.00 0.00 H new ATOM 1344 N MET A 79 -18.434 -15.676 -12.082 1.00 0.00 N ATOM 1345 CA MET A 79 -18.062 -16.310 -13.341 1.00 0.00 C ATOM 1346 C MET A 79 -17.372 -17.648 -13.094 1.00 0.00 C ATOM 1347 O MET A 79 -17.813 -18.684 -13.590 1.00 0.00 O ATOM 1348 CB MET A 79 -17.143 -15.391 -14.148 1.00 0.00 C ATOM 1349 CG MET A 79 -17.786 -14.849 -15.415 1.00 0.00 C ATOM 1350 SD MET A 79 -17.067 -15.549 -16.913 1.00 0.00 S ATOM 1351 CE MET A 79 -15.527 -14.639 -17.006 1.00 0.00 C ATOM 0 H MET A 79 -17.937 -14.808 -11.884 1.00 0.00 H new ATOM 0 HA MET A 79 -18.974 -16.491 -13.910 1.00 0.00 H new ATOM 0 HB2 MET A 79 -16.836 -14.555 -13.520 1.00 0.00 H new ATOM 0 HB3 MET A 79 -16.239 -15.938 -14.415 1.00 0.00 H new ATOM 0 HG2 MET A 79 -18.855 -15.063 -15.395 1.00 0.00 H new ATOM 0 HG3 MET A 79 -17.678 -13.765 -15.437 1.00 0.00 H new ATOM 0 HE1 MET A 79 -14.750 -15.280 -17.423 1.00 0.00 H new ATOM 0 HE2 MET A 79 -15.659 -13.766 -17.645 1.00 0.00 H new ATOM 0 HE3 MET A 79 -15.234 -14.317 -16.007 1.00 0.00 H new