USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 802 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -111:sc= -1.11 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -138:sc= -0.47 (180deg=-3.53!) USER MOD Single : A 20 THR OG1 : rot 72:sc= 0.37 USER MOD Single : A 22 MET CE :methyl -103:sc= -1.28 (180deg=-2.15) USER MOD Single : A 24 THR OG1 : rot -19:sc= 1.13 USER MOD Single : A 25 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-5.9!) USER MOD Single : A 36 ASN : amide:sc= -2.52 K(o=-2.5,f=-5.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -120:sc= -0.982 (180deg=-2.66!) USER MOD Single : A 48 LYS NZ :NH3+ -137:sc= -0.327 (180deg=-1.15!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 165:sc= -0.167 (180deg=-0.635) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 55:sc= 1.09 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 95:sc= 0.583 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 65 TYR OH : rot 100:sc= -1.29 USER MOD Single : A 67 ASN : amide:sc= -3.66! C(o=-3.7!,f=-17!) USER MOD Single : A 70 THR OG1 : rot -34:sc= 0.271 USER MOD Single : A 81 ASN : amide:sc= -2.15 K(o=-2.2,f=-14!) USER MOD Single : A 82 CYS SG : rot 160:sc= 1.44 USER MOD Single : A 84 THR OG1 : rot 76:sc= 0.557 USER MOD Single : A 86 ASN : amide:sc= -0.889 K(o=-0.89,f=-0.23) USER MOD Single : A 90 SER OG : rot 110:sc= -0.12 USER MOD Single : A 97 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2.1!) USER MOD Single : A 98 ASN : amide:sc= 0.159 K(o=0.16,f=-2.4!) USER MOD Single : A 99 MET CE :methyl -149:sc= -0.405 (180deg=-0.782) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 90:sc= -0.891 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 61:sc= 0.541 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -2.365 18.540 9.829 1.00 0.00 N ATOM 90 CA LYS A 10 -3.741 18.216 9.472 1.00 0.00 C ATOM 91 C LYS A 10 -3.787 17.338 8.225 1.00 0.00 C ATOM 92 O LYS A 10 -4.246 16.197 8.274 1.00 0.00 O ATOM 93 CB LYS A 10 -4.544 19.498 9.236 1.00 0.00 C ATOM 94 CG LYS A 10 -5.971 19.246 8.782 1.00 0.00 C ATOM 95 CD LYS A 10 -6.691 20.545 8.459 1.00 0.00 C ATOM 96 CE LYS A 10 -6.321 21.057 7.075 1.00 0.00 C ATOM 97 NZ LYS A 10 -6.812 22.445 6.848 1.00 0.00 N ATOM 0 HA LYS A 10 -4.185 17.664 10.301 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.562 20.080 10.157 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.034 20.103 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.966 18.603 7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.513 18.713 9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.768 20.389 8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.439 21.298 9.206 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.238 21.031 6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.741 20.395 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.540 22.758 5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.848 22.466 6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.391 23.082 7.554 1.00 0.00 H new ATOM 111 N ASP A 11 -3.307 17.878 7.110 1.00 0.00 N ATOM 112 CA ASP A 11 -3.291 17.142 5.850 1.00 0.00 C ATOM 113 C ASP A 11 -2.762 15.726 6.055 1.00 0.00 C ATOM 114 O ASP A 11 -3.325 14.761 5.537 1.00 0.00 O ATOM 115 CB ASP A 11 -2.434 17.876 4.818 1.00 0.00 C ATOM 116 CG ASP A 11 -2.969 19.258 4.498 1.00 0.00 C ATOM 117 OD1 ASP A 11 -3.860 19.362 3.629 1.00 0.00 O ATOM 118 OD2 ASP A 11 -2.496 20.235 5.115 1.00 0.00 O ATOM 0 H ASP A 11 -2.924 18.822 7.052 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.315 17.078 5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.414 17.962 5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.389 17.286 3.902 1.00 0.00 H new ATOM 123 N LEU A 12 -1.677 15.609 6.812 1.00 0.00 N ATOM 124 CA LEU A 12 -1.070 14.310 7.085 1.00 0.00 C ATOM 125 C LEU A 12 -2.004 13.437 7.917 1.00 0.00 C ATOM 126 O LEU A 12 -2.197 12.259 7.619 1.00 0.00 O ATOM 127 CB LEU A 12 0.262 14.491 7.814 1.00 0.00 C ATOM 128 CG LEU A 12 1.477 14.778 6.931 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.690 15.114 7.785 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.772 13.590 6.026 1.00 0.00 C ATOM 0 H LEU A 12 -1.199 16.398 7.248 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.891 13.812 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.155 15.309 8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.463 13.589 8.392 1.00 0.00 H new ATOM 0 HG LEU A 12 1.250 15.640 6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.545 15.315 7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.476 15.995 8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.919 14.272 8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.640 13.812 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.978 12.710 6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.910 13.395 5.388 1.00 0.00 H new ATOM 142 N ALA A 13 -2.583 14.024 8.959 1.00 0.00 N ATOM 143 CA ALA A 13 -3.500 13.301 9.831 1.00 0.00 C ATOM 144 C ALA A 13 -4.507 12.494 9.020 1.00 0.00 C ATOM 145 O ALA A 13 -4.807 11.345 9.349 1.00 0.00 O ATOM 146 CB ALA A 13 -4.220 14.269 10.758 1.00 0.00 C ATOM 0 H ALA A 13 -2.433 14.999 9.220 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.917 12.604 10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.902 13.715 11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.490 14.798 11.370 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.785 14.988 10.165 1.00 0.00 H new ATOM 152 N LEU A 14 -5.028 13.101 7.959 1.00 0.00 N ATOM 153 CA LEU A 14 -6.003 12.438 7.100 1.00 0.00 C ATOM 154 C LEU A 14 -5.403 11.193 6.454 1.00 0.00 C ATOM 155 O LEU A 14 -5.997 10.115 6.491 1.00 0.00 O ATOM 156 CB LEU A 14 -6.497 13.400 6.019 1.00 0.00 C ATOM 157 CG LEU A 14 -7.410 14.531 6.493 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.447 15.653 5.466 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.812 14.007 6.763 1.00 0.00 C ATOM 0 H LEU A 14 -4.792 14.051 7.673 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.847 12.132 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.629 13.842 5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.030 12.823 5.263 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.008 14.931 7.424 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.102 16.449 5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.441 16.048 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.825 15.267 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.448 14.826 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.223 13.580 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.771 13.239 7.535 1.00 0.00 H new ATOM 171 N CYS A 15 -4.222 11.350 5.865 1.00 0.00 N ATOM 172 CA CYS A 15 -3.541 10.238 5.212 1.00 0.00 C ATOM 173 C CYS A 15 -3.564 8.993 6.093 1.00 0.00 C ATOM 174 O CYS A 15 -3.778 7.882 5.609 1.00 0.00 O ATOM 175 CB CYS A 15 -2.096 10.620 4.885 1.00 0.00 C ATOM 176 SG CYS A 15 -1.941 11.950 3.671 1.00 0.00 S ATOM 0 H CYS A 15 -3.717 12.235 5.826 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.069 10.014 4.285 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.594 10.922 5.804 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.574 9.739 4.511 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.442 11.475 2.568 1.00 0.00 H new ATOM 182 N SER A 16 -3.339 9.187 7.389 1.00 0.00 N ATOM 183 CA SER A 16 -3.329 8.079 8.337 1.00 0.00 C ATOM 184 C SER A 16 -4.651 7.319 8.298 1.00 0.00 C ATOM 185 O SER A 16 -4.677 6.093 8.401 1.00 0.00 O ATOM 186 CB SER A 16 -3.065 8.594 9.753 1.00 0.00 C ATOM 187 OG SER A 16 -3.131 7.542 10.699 1.00 0.00 O ATOM 0 H SER A 16 -3.161 10.101 7.806 1.00 0.00 H new ATOM 0 HA SER A 16 -2.529 7.396 8.052 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.082 9.064 9.795 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.796 9.361 10.006 1.00 0.00 H new ATOM 0 HG SER A 16 -2.957 7.897 11.596 1.00 0.00 H new ATOM 193 N MET A 17 -5.746 8.056 8.149 1.00 0.00 N ATOM 194 CA MET A 17 -7.073 7.452 8.095 1.00 0.00 C ATOM 195 C MET A 17 -7.200 6.527 6.889 1.00 0.00 C ATOM 196 O MET A 17 -7.331 5.312 7.038 1.00 0.00 O ATOM 197 CB MET A 17 -8.149 8.537 8.037 1.00 0.00 C ATOM 198 CG MET A 17 -7.941 9.655 9.046 1.00 0.00 C ATOM 199 SD MET A 17 -9.488 10.433 9.550 1.00 0.00 S ATOM 200 CE MET A 17 -10.117 10.990 7.968 1.00 0.00 C ATOM 0 H MET A 17 -5.741 9.072 8.063 1.00 0.00 H new ATOM 0 HA MET A 17 -7.213 6.861 9.000 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.170 8.963 7.034 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.124 8.080 8.209 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.436 9.256 9.926 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.283 10.410 8.616 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.533 11.992 8.074 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.306 11.009 7.240 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.896 10.309 7.626 1.00 0.00 H new ATOM 210 N ILE A 18 -7.162 7.110 5.696 1.00 0.00 N ATOM 211 CA ILE A 18 -7.273 6.337 4.465 1.00 0.00 C ATOM 212 C ILE A 18 -6.433 5.066 4.536 1.00 0.00 C ATOM 213 O ILE A 18 -6.907 3.977 4.212 1.00 0.00 O ATOM 214 CB ILE A 18 -6.833 7.162 3.241 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.687 8.425 3.115 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.929 6.323 1.975 1.00 0.00 C ATOM 217 CD1 ILE A 18 -6.958 9.587 2.480 1.00 0.00 C ATOM 0 H ILE A 18 -7.055 8.115 5.555 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.324 6.069 4.354 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.794 7.461 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.574 8.196 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.032 8.721 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.615 6.920 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.282 5.451 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.959 5.997 1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.625 10.447 2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.086 9.843 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.637 9.310 1.476 1.00 0.00 H new ATOM 229 N LEU A 19 -5.184 5.213 4.964 1.00 0.00 N ATOM 230 CA LEU A 19 -4.277 4.076 5.080 1.00 0.00 C ATOM 231 C LEU A 19 -4.905 2.962 5.912 1.00 0.00 C ATOM 232 O LEU A 19 -4.859 1.790 5.536 1.00 0.00 O ATOM 233 CB LEU A 19 -2.955 4.516 5.711 1.00 0.00 C ATOM 234 CG LEU A 19 -1.906 3.420 5.904 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.323 2.996 4.565 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.805 3.895 6.841 1.00 0.00 C ATOM 0 H LEU A 19 -4.776 6.107 5.236 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.084 3.692 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.522 5.300 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.170 4.961 6.683 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.392 2.555 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.579 2.216 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.119 2.614 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.853 3.854 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.067 3.102 6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.322 4.776 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.236 4.147 7.810 1.00 0.00 H new ATOM 248 N THR A 20 -5.493 3.335 7.044 1.00 0.00 N ATOM 249 CA THR A 20 -6.130 2.368 7.929 1.00 0.00 C ATOM 250 C THR A 20 -7.227 1.598 7.202 1.00 0.00 C ATOM 251 O THR A 20 -7.159 0.376 7.074 1.00 0.00 O ATOM 252 CB THR A 20 -6.735 3.054 9.168 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.700 3.673 9.940 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.486 2.050 10.030 1.00 0.00 C ATOM 0 H THR A 20 -5.541 4.300 7.370 1.00 0.00 H new ATOM 0 HA THR A 20 -5.354 1.674 8.250 1.00 0.00 H new ATOM 0 HB THR A 20 -7.438 3.814 8.828 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.367 4.464 9.467 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.904 2.558 10.899 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.292 1.602 9.449 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.800 1.270 10.361 1.00 0.00 H new ATOM 262 N GLU A 21 -8.237 2.321 6.728 1.00 0.00 N ATOM 263 CA GLU A 21 -9.348 1.704 6.014 1.00 0.00 C ATOM 264 C GLU A 21 -8.842 0.691 4.991 1.00 0.00 C ATOM 265 O GLU A 21 -9.324 -0.439 4.930 1.00 0.00 O ATOM 266 CB GLU A 21 -10.192 2.773 5.317 1.00 0.00 C ATOM 267 CG GLU A 21 -10.764 3.812 6.266 1.00 0.00 C ATOM 268 CD GLU A 21 -12.022 3.334 6.965 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.864 2.696 6.299 1.00 0.00 O ATOM 270 OE2 GLU A 21 -12.165 3.597 8.177 1.00 0.00 O ATOM 0 H GLU A 21 -8.308 3.334 6.826 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.968 1.180 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.580 3.275 4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.011 2.288 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.013 4.069 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.985 4.723 5.710 1.00 0.00 H new ATOM 277 N MET A 22 -7.868 1.107 4.188 1.00 0.00 N ATOM 278 CA MET A 22 -7.296 0.237 3.167 1.00 0.00 C ATOM 279 C MET A 22 -6.607 -0.966 3.802 1.00 0.00 C ATOM 280 O MET A 22 -6.787 -2.100 3.360 1.00 0.00 O ATOM 281 CB MET A 22 -6.300 1.014 2.304 1.00 0.00 C ATOM 282 CG MET A 22 -6.934 2.148 1.516 1.00 0.00 C ATOM 283 SD MET A 22 -5.949 2.636 0.086 1.00 0.00 S ATOM 284 CE MET A 22 -4.407 3.090 0.876 1.00 0.00 C ATOM 0 H MET A 22 -7.459 2.041 4.225 1.00 0.00 H new ATOM 0 HA MET A 22 -8.108 -0.124 2.536 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.517 1.421 2.944 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.818 0.325 1.610 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.926 1.843 1.182 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.069 3.009 2.170 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.330 4.176 0.927 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.379 2.677 1.884 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.572 2.694 0.298 1.00 0.00 H new ATOM 294 N GLU A 23 -5.817 -0.710 4.841 1.00 0.00 N ATOM 295 CA GLU A 23 -5.101 -1.774 5.535 1.00 0.00 C ATOM 296 C GLU A 23 -6.063 -2.859 6.009 1.00 0.00 C ATOM 297 O GLU A 23 -5.651 -3.976 6.326 1.00 0.00 O ATOM 298 CB GLU A 23 -4.329 -1.205 6.727 1.00 0.00 C ATOM 299 CG GLU A 23 -3.010 -0.555 6.345 1.00 0.00 C ATOM 300 CD GLU A 23 -1.972 -0.650 7.446 1.00 0.00 C ATOM 301 OE1 GLU A 23 -1.974 -1.663 8.177 1.00 0.00 O ATOM 302 OE2 GLU A 23 -1.157 0.287 7.577 1.00 0.00 O ATOM 0 H GLU A 23 -5.657 0.223 5.220 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.396 -2.220 4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.953 -0.470 7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.136 -2.007 7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.623 -1.030 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.183 0.494 6.103 1.00 0.00 H new ATOM 309 N THR A 24 -7.349 -2.523 6.054 1.00 0.00 N ATOM 310 CA THR A 24 -8.370 -3.467 6.490 1.00 0.00 C ATOM 311 C THR A 24 -9.214 -3.946 5.315 1.00 0.00 C ATOM 312 O THR A 24 -10.395 -4.257 5.471 1.00 0.00 O ATOM 313 CB THR A 24 -9.295 -2.842 7.551 1.00 0.00 C ATOM 314 OG1 THR A 24 -10.000 -1.728 6.992 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.498 -2.388 8.765 1.00 0.00 C ATOM 0 H THR A 24 -7.707 -1.604 5.794 1.00 0.00 H new ATOM 0 HA THR A 24 -7.848 -4.317 6.929 1.00 0.00 H new ATOM 0 HB THR A 24 -10.010 -3.601 7.869 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.537 -1.419 6.186 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.173 -1.950 9.500 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.987 -3.244 9.206 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.762 -1.644 8.460 1.00 0.00 H new ATOM 323 N HIS A 25 -8.601 -4.005 4.137 1.00 0.00 N ATOM 324 CA HIS A 25 -9.296 -4.448 2.934 1.00 0.00 C ATOM 325 C HIS A 25 -9.007 -5.919 2.650 1.00 0.00 C ATOM 326 O HIS A 25 -7.879 -6.381 2.813 1.00 0.00 O ATOM 327 CB HIS A 25 -8.882 -3.594 1.736 1.00 0.00 C ATOM 328 CG HIS A 25 -9.960 -3.443 0.706 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.010 -4.197 -0.447 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.033 -2.619 0.662 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.066 -3.843 -1.156 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.704 -2.887 -0.505 1.00 0.00 N ATOM 0 H HIS A 25 -7.624 -3.751 3.990 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.367 -4.332 3.100 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.588 -2.606 2.089 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.004 -4.040 1.268 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.310 -1.887 1.406 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.358 -4.264 -2.107 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.557 -2.423 -0.819 1.00 0.00 H new ATOM 340 N GLU A 26 -10.034 -6.648 2.224 1.00 0.00 N ATOM 341 CA GLU A 26 -9.889 -8.066 1.919 1.00 0.00 C ATOM 342 C GLU A 26 -8.837 -8.285 0.836 1.00 0.00 C ATOM 343 O GLU A 26 -8.340 -9.396 0.653 1.00 0.00 O ATOM 344 CB GLU A 26 -11.229 -8.654 1.471 1.00 0.00 C ATOM 345 CG GLU A 26 -11.712 -8.117 0.134 1.00 0.00 C ATOM 346 CD GLU A 26 -13.082 -8.644 -0.246 1.00 0.00 C ATOM 347 OE1 GLU A 26 -14.010 -8.531 0.582 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.226 -9.168 -1.370 1.00 0.00 O ATOM 0 H GLU A 26 -10.975 -6.280 2.082 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.563 -8.575 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.137 -9.738 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.981 -8.443 2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.744 -7.028 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.995 -8.386 -0.642 1.00 0.00 H new ATOM 355 N ASP A 27 -8.503 -7.217 0.120 1.00 0.00 N ATOM 356 CA ASP A 27 -7.509 -7.290 -0.945 1.00 0.00 C ATOM 357 C ASP A 27 -6.413 -6.250 -0.739 1.00 0.00 C ATOM 358 O ASP A 27 -5.906 -5.670 -1.698 1.00 0.00 O ATOM 359 CB ASP A 27 -8.175 -7.085 -2.307 1.00 0.00 C ATOM 360 CG ASP A 27 -8.740 -8.372 -2.875 1.00 0.00 C ATOM 361 OD1 ASP A 27 -9.046 -9.287 -2.082 1.00 0.00 O ATOM 362 OD2 ASP A 27 -8.877 -8.464 -4.113 1.00 0.00 O ATOM 0 H ASP A 27 -8.906 -6.290 0.258 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.054 -8.280 -0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.976 -6.352 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.447 -6.672 -3.005 1.00 0.00 H new ATOM 367 N ALA A 28 -6.054 -6.018 0.520 1.00 0.00 N ATOM 368 CA ALA A 28 -5.017 -5.048 0.852 1.00 0.00 C ATOM 369 C ALA A 28 -3.845 -5.719 1.561 1.00 0.00 C ATOM 370 O ALA A 28 -2.861 -5.065 1.907 1.00 0.00 O ATOM 371 CB ALA A 28 -5.593 -3.936 1.715 1.00 0.00 C ATOM 0 H ALA A 28 -6.466 -6.488 1.326 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.646 -4.616 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.808 -3.219 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.392 -3.431 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.992 -4.360 2.636 1.00 0.00 H new ATOM 377 N TRP A 29 -3.958 -7.025 1.774 1.00 0.00 N ATOM 378 CA TRP A 29 -2.907 -7.783 2.443 1.00 0.00 C ATOM 379 C TRP A 29 -1.702 -7.968 1.527 1.00 0.00 C ATOM 380 O TRP A 29 -0.556 -8.049 1.972 1.00 0.00 O ATOM 381 CB TRP A 29 -3.438 -9.146 2.889 1.00 0.00 C ATOM 382 CG TRP A 29 -3.733 -10.071 1.747 1.00 0.00 C ATOM 383 CD1 TRP A 29 -4.966 -10.442 1.291 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.778 -10.742 0.919 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.835 -11.304 0.229 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.502 -11.503 -0.020 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.382 -10.773 0.876 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -2.876 -12.285 -0.986 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.761 -11.550 -0.083 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.507 -12.297 -1.004 1.00 0.00 C ATOM 0 H TRP A 29 -4.766 -7.581 1.493 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.590 -7.220 3.321 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.707 -9.615 3.548 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.346 -9.001 3.473 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.906 -10.107 1.704 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.605 -11.727 -0.290 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.798 -10.199 1.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.450 -12.862 -1.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.318 -11.582 -0.123 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.992 -12.894 -1.742 1.00 0.00 H new ATOM 401 N PRO A 30 -1.961 -8.036 0.213 1.00 0.00 N ATOM 402 CA PRO A 30 -0.827 -8.214 -0.699 1.00 0.00 C ATOM 403 C PRO A 30 0.315 -7.249 -0.398 1.00 0.00 C ATOM 404 O PRO A 30 1.455 -7.474 -0.806 1.00 0.00 O ATOM 405 CB PRO A 30 -1.429 -7.918 -2.075 1.00 0.00 C ATOM 406 CG PRO A 30 -2.878 -8.233 -1.930 1.00 0.00 C ATOM 407 CD PRO A 30 -3.245 -7.961 -0.503 1.00 0.00 C ATOM 0 HA PRO A 30 -0.388 -9.208 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.277 -6.876 -2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.966 -8.530 -2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.475 -7.620 -2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.074 -9.274 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.709 -6.981 -0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.956 -8.696 -0.126 1.00 0.00 H new ATOM 415 N PHE A 31 0.002 -6.174 0.318 1.00 0.00 N ATOM 416 CA PHE A 31 1.003 -5.174 0.672 1.00 0.00 C ATOM 417 C PHE A 31 1.225 -5.139 2.182 1.00 0.00 C ATOM 418 O PHE A 31 2.337 -4.893 2.651 1.00 0.00 O ATOM 419 CB PHE A 31 0.572 -3.792 0.177 1.00 0.00 C ATOM 420 CG PHE A 31 -0.268 -3.837 -1.068 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.644 -3.975 -0.987 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.320 -3.740 -2.319 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.418 -4.017 -2.131 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.450 -3.781 -3.467 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.821 -3.919 -3.372 1.00 0.00 C ATOM 0 H PHE A 31 -0.936 -5.973 0.664 1.00 0.00 H new ATOM 0 HA PHE A 31 1.941 -5.448 0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.012 -3.291 0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.460 -3.190 -0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.117 -4.051 -0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.392 -3.631 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.490 -4.126 -2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.020 -3.705 -4.436 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.425 -3.950 -4.267 1.00 0.00 H new ATOM 435 N LEU A 32 0.160 -5.385 2.936 1.00 0.00 N ATOM 436 CA LEU A 32 0.237 -5.381 4.393 1.00 0.00 C ATOM 437 C LEU A 32 1.610 -5.846 4.867 1.00 0.00 C ATOM 438 O LEU A 32 2.153 -5.322 5.841 1.00 0.00 O ATOM 439 CB LEU A 32 -0.850 -6.281 4.983 1.00 0.00 C ATOM 440 CG LEU A 32 -2.245 -5.665 5.091 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.230 -6.670 5.668 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.207 -4.404 5.943 1.00 0.00 C ATOM 0 H LEU A 32 -0.767 -5.590 2.563 1.00 0.00 H new ATOM 0 HA LEU A 32 0.081 -4.359 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.919 -7.182 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.534 -6.593 5.978 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.579 -5.394 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.217 -6.213 5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.279 -7.545 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.900 -6.973 6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.209 -3.979 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.851 -4.651 6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.534 -3.677 5.488 1.00 0.00 H new ATOM 454 N LEU A 33 2.168 -6.831 4.171 1.00 0.00 N ATOM 455 CA LEU A 33 3.480 -7.366 4.519 1.00 0.00 C ATOM 456 C LEU A 33 4.471 -7.163 3.378 1.00 0.00 C ATOM 457 O LEU A 33 4.121 -7.231 2.199 1.00 0.00 O ATOM 458 CB LEU A 33 3.373 -8.854 4.858 1.00 0.00 C ATOM 459 CG LEU A 33 2.824 -9.188 6.246 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.586 -10.684 6.379 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.776 -8.699 7.328 1.00 0.00 C ATOM 0 H LEU A 33 1.732 -7.275 3.363 1.00 0.00 H new ATOM 0 HA LEU A 33 3.845 -6.826 5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.736 -9.331 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.363 -9.300 4.764 1.00 0.00 H new ATOM 0 HG LEU A 33 1.870 -8.676 6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.195 -10.903 7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.866 -11.006 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.526 -11.216 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.369 -8.945 8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.745 -9.182 7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.896 -7.619 7.246 1.00 0.00 H new ATOM 473 N PRO A 34 5.739 -6.909 3.733 1.00 0.00 N ATOM 474 CA PRO A 34 6.808 -6.694 2.752 1.00 0.00 C ATOM 475 C PRO A 34 7.170 -7.970 2.000 1.00 0.00 C ATOM 476 O PRO A 34 7.105 -9.068 2.553 1.00 0.00 O ATOM 477 CB PRO A 34 7.986 -6.225 3.609 1.00 0.00 C ATOM 478 CG PRO A 34 7.723 -6.796 4.960 1.00 0.00 C ATOM 479 CD PRO A 34 6.228 -6.813 5.118 1.00 0.00 C ATOM 0 HA PRO A 34 6.516 -5.983 1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.935 -6.581 3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.042 -5.137 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.136 -7.801 5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.191 -6.191 5.737 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.897 -7.659 5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.866 -5.910 5.610 1.00 0.00 H new ATOM 487 N VAL A 35 7.554 -7.818 0.737 1.00 0.00 N ATOM 488 CA VAL A 35 7.928 -8.959 -0.091 1.00 0.00 C ATOM 489 C VAL A 35 9.338 -9.437 0.238 1.00 0.00 C ATOM 490 O VAL A 35 10.261 -8.634 0.371 1.00 0.00 O ATOM 491 CB VAL A 35 7.852 -8.614 -1.590 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.550 -7.292 -1.870 1.00 0.00 C ATOM 493 CG2 VAL A 35 8.455 -9.732 -2.425 1.00 0.00 C ATOM 0 H VAL A 35 7.614 -6.916 0.264 1.00 0.00 H new ATOM 0 HA VAL A 35 7.216 -9.755 0.127 1.00 0.00 H new ATOM 0 HB VAL A 35 6.803 -8.509 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.486 -7.065 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.068 -6.498 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.597 -7.364 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.393 -9.471 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.500 -9.871 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.906 -10.656 -2.246 1.00 0.00 H new ATOM 503 N ASN A 36 9.497 -10.750 0.367 1.00 0.00 N ATOM 504 CA ASN A 36 10.795 -11.336 0.681 1.00 0.00 C ATOM 505 C ASN A 36 11.679 -11.396 -0.561 1.00 0.00 C ATOM 506 O ASN A 36 11.577 -12.325 -1.364 1.00 0.00 O ATOM 507 CB ASN A 36 10.617 -12.740 1.263 1.00 0.00 C ATOM 508 CG ASN A 36 11.731 -13.113 2.221 1.00 0.00 C ATOM 509 OD1 ASN A 36 12.912 -12.992 1.895 1.00 0.00 O ATOM 510 ND2 ASN A 36 11.359 -13.571 3.411 1.00 0.00 N ATOM 0 H ASN A 36 8.743 -11.429 0.259 1.00 0.00 H new ATOM 0 HA ASN A 36 11.282 -10.702 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.660 -12.797 1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.582 -13.466 0.450 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.064 -13.839 4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.368 -13.655 3.638 1.00 0.00 H new ATOM 517 N LEU A 37 12.545 -10.401 -0.713 1.00 0.00 N ATOM 518 CA LEU A 37 13.448 -10.341 -1.857 1.00 0.00 C ATOM 519 C LEU A 37 14.307 -11.599 -1.941 1.00 0.00 C ATOM 520 O LEU A 37 14.700 -12.025 -3.027 1.00 0.00 O ATOM 521 CB LEU A 37 14.344 -9.104 -1.761 1.00 0.00 C ATOM 522 CG LEU A 37 13.642 -7.794 -1.401 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.652 -6.663 -1.284 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.579 -7.457 -2.436 1.00 0.00 C ATOM 0 H LEU A 37 12.641 -9.625 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 37 12.843 -10.275 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.116 -9.296 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.850 -8.971 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 37 13.153 -7.919 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.135 -5.738 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.377 -6.901 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.169 -6.537 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.090 -6.522 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.045 -7.351 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.839 -8.257 -2.471 1.00 0.00 H new ATOM 536 N LYS A 38 14.593 -12.191 -0.786 1.00 0.00 N ATOM 537 CA LYS A 38 15.401 -13.403 -0.727 1.00 0.00 C ATOM 538 C LYS A 38 14.659 -14.583 -1.346 1.00 0.00 C ATOM 539 O LYS A 38 15.240 -15.374 -2.091 1.00 0.00 O ATOM 540 CB LYS A 38 15.772 -13.723 0.723 1.00 0.00 C ATOM 541 CG LYS A 38 16.612 -12.647 1.389 1.00 0.00 C ATOM 542 CD LYS A 38 16.552 -12.750 2.903 1.00 0.00 C ATOM 543 CE LYS A 38 17.517 -11.779 3.567 1.00 0.00 C ATOM 544 NZ LYS A 38 17.022 -10.376 3.504 1.00 0.00 N ATOM 0 H LYS A 38 14.277 -11.851 0.122 1.00 0.00 H new ATOM 0 HA LYS A 38 16.313 -13.230 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.858 -13.867 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.318 -14.666 0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.647 -12.735 1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.260 -11.664 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.537 -12.545 3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.791 -13.768 3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.663 -12.066 4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.490 -11.843 3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.707 -9.745 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.907 -10.093 2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.106 -10.309 3.991 1.00 0.00 H new ATOM 558 N LEU A 39 13.373 -14.696 -1.034 1.00 0.00 N ATOM 559 CA LEU A 39 12.550 -15.780 -1.562 1.00 0.00 C ATOM 560 C LEU A 39 12.249 -15.564 -3.041 1.00 0.00 C ATOM 561 O LEU A 39 12.600 -16.390 -3.884 1.00 0.00 O ATOM 562 CB LEU A 39 11.243 -15.884 -0.773 1.00 0.00 C ATOM 563 CG LEU A 39 11.383 -16.154 0.725 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.017 -16.178 1.393 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.119 -17.465 0.964 1.00 0.00 C ATOM 0 H LEU A 39 12.877 -14.051 -0.419 1.00 0.00 H new ATOM 0 HA LEU A 39 13.107 -16.711 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.688 -14.955 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.640 -16.680 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 39 11.967 -15.347 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.137 -16.372 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.526 -15.215 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.408 -16.965 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.210 -17.641 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.562 -18.283 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.113 -17.410 0.520 1.00 0.00 H new ATOM 577 N VAL A 40 11.599 -14.447 -3.351 1.00 0.00 N ATOM 578 CA VAL A 40 11.254 -14.121 -4.729 1.00 0.00 C ATOM 579 C VAL A 40 12.498 -14.055 -5.607 1.00 0.00 C ATOM 580 O VAL A 40 13.466 -13.356 -5.305 1.00 0.00 O ATOM 581 CB VAL A 40 10.506 -12.777 -4.818 1.00 0.00 C ATOM 582 CG1 VAL A 40 10.062 -12.506 -6.247 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.316 -12.767 -3.870 1.00 0.00 C ATOM 0 H VAL A 40 11.301 -13.753 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 40 10.601 -14.917 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 40 11.188 -11.981 -4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.536 -11.553 -6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.935 -12.468 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.397 -13.303 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.799 -11.811 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.631 -13.572 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.664 -12.911 -2.847 1.00 0.00 H new ATOM 593 N PRO A 41 12.476 -14.800 -6.722 1.00 0.00 N ATOM 594 CA PRO A 41 13.595 -14.843 -7.668 1.00 0.00 C ATOM 595 C PRO A 41 13.761 -13.533 -8.430 1.00 0.00 C ATOM 596 O PRO A 41 13.282 -13.392 -9.554 1.00 0.00 O ATOM 597 CB PRO A 41 13.206 -15.973 -8.626 1.00 0.00 C ATOM 598 CG PRO A 41 11.720 -16.035 -8.555 1.00 0.00 C ATOM 599 CD PRO A 41 11.356 -15.657 -7.146 1.00 0.00 C ATOM 0 HA PRO A 41 14.549 -15.001 -7.164 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.546 -15.766 -9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.656 -16.919 -8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.266 -15.351 -9.272 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.359 -17.035 -8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.405 -15.125 -7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.258 -16.535 -6.507 1.00 0.00 H new ATOM 607 N GLY A 42 14.444 -12.575 -7.809 1.00 0.00 N ATOM 608 CA GLY A 42 14.661 -11.289 -8.444 1.00 0.00 C ATOM 609 C GLY A 42 13.433 -10.402 -8.393 1.00 0.00 C ATOM 610 O GLY A 42 12.690 -10.300 -9.370 1.00 0.00 O ATOM 0 H GLY A 42 14.850 -12.667 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.492 -10.782 -7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.950 -11.445 -9.483 1.00 0.00 H new ATOM 614 N TYR A 43 13.216 -9.760 -7.251 1.00 0.00 N ATOM 615 CA TYR A 43 12.067 -8.880 -7.074 1.00 0.00 C ATOM 616 C TYR A 43 12.444 -7.428 -7.351 1.00 0.00 C ATOM 617 O TYR A 43 11.796 -6.746 -8.145 1.00 0.00 O ATOM 618 CB TYR A 43 11.510 -9.013 -5.656 1.00 0.00 C ATOM 619 CG TYR A 43 10.206 -8.277 -5.446 1.00 0.00 C ATOM 620 CD1 TYR A 43 10.188 -6.910 -5.198 1.00 0.00 C ATOM 621 CD2 TYR A 43 8.991 -8.949 -5.495 1.00 0.00 C ATOM 622 CE1 TYR A 43 8.999 -6.234 -5.005 1.00 0.00 C ATOM 623 CE2 TYR A 43 7.797 -8.281 -5.305 1.00 0.00 C ATOM 624 CZ TYR A 43 7.806 -6.924 -5.060 1.00 0.00 C ATOM 625 OH TYR A 43 6.619 -6.255 -4.869 1.00 0.00 O ATOM 0 H TYR A 43 13.821 -9.832 -6.433 1.00 0.00 H new ATOM 0 HA TYR A 43 11.300 -9.179 -7.788 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.362 -10.069 -5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.248 -8.636 -4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.120 -6.366 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.980 -10.012 -5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.003 -5.171 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.861 -8.819 -5.348 1.00 0.00 H new ATOM 0 HH TYR A 43 5.873 -6.886 -4.941 1.00 0.00 H new ATOM 635 N LYS A 44 13.498 -6.961 -6.690 1.00 0.00 N ATOM 636 CA LYS A 44 13.966 -5.591 -6.864 1.00 0.00 C ATOM 637 C LYS A 44 14.189 -5.276 -8.339 1.00 0.00 C ATOM 638 O LYS A 44 13.756 -4.236 -8.835 1.00 0.00 O ATOM 639 CB LYS A 44 15.263 -5.370 -6.082 1.00 0.00 C ATOM 640 CG LYS A 44 15.147 -5.704 -4.605 1.00 0.00 C ATOM 641 CD LYS A 44 16.512 -5.775 -3.941 1.00 0.00 C ATOM 642 CE LYS A 44 17.114 -4.391 -3.754 1.00 0.00 C ATOM 643 NZ LYS A 44 18.203 -4.392 -2.739 1.00 0.00 N ATOM 0 H LYS A 44 14.045 -7.512 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 44 13.198 -4.919 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.052 -5.980 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.568 -4.329 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.538 -4.950 -4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.633 -6.658 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.421 -6.267 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.181 -6.385 -4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.506 -4.034 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.334 -3.694 -3.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.587 -3.430 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.824 -4.709 -1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.960 -5.038 -3.042 1.00 0.00 H new ATOM 657 N LYS A 45 14.866 -6.181 -9.037 1.00 0.00 N ATOM 658 CA LYS A 45 15.145 -6.002 -10.457 1.00 0.00 C ATOM 659 C LYS A 45 13.936 -5.418 -11.180 1.00 0.00 C ATOM 660 O LYS A 45 14.052 -4.435 -11.912 1.00 0.00 O ATOM 661 CB LYS A 45 15.537 -7.338 -11.094 1.00 0.00 C ATOM 662 CG LYS A 45 16.966 -7.757 -10.796 1.00 0.00 C ATOM 663 CD LYS A 45 17.967 -6.911 -11.565 1.00 0.00 C ATOM 664 CE LYS A 45 17.749 -7.016 -13.067 1.00 0.00 C ATOM 665 NZ LYS A 45 16.809 -5.973 -13.565 1.00 0.00 N ATOM 0 H LYS A 45 15.232 -7.047 -8.642 1.00 0.00 H new ATOM 0 HA LYS A 45 15.976 -5.303 -10.552 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.858 -8.113 -10.739 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.405 -7.269 -12.174 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.157 -7.666 -9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.100 -8.807 -11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.878 -5.870 -11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.980 -7.231 -11.320 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.705 -6.918 -13.581 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.357 -8.004 -13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.985 -6.430 -14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.493 -5.382 -12.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.292 -5.378 -14.268 1.00 0.00 H new ATOM 679 N VAL A 46 12.774 -6.028 -10.968 1.00 0.00 N ATOM 680 CA VAL A 46 11.542 -5.566 -11.597 1.00 0.00 C ATOM 681 C VAL A 46 10.966 -4.363 -10.859 1.00 0.00 C ATOM 682 O VAL A 46 10.538 -3.389 -11.479 1.00 0.00 O ATOM 683 CB VAL A 46 10.482 -6.683 -11.642 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.141 -6.129 -12.099 1.00 0.00 C ATOM 685 CG2 VAL A 46 10.939 -7.814 -12.551 1.00 0.00 C ATOM 0 H VAL A 46 12.660 -6.843 -10.366 1.00 0.00 H new ATOM 0 HA VAL A 46 11.796 -5.275 -12.616 1.00 0.00 H new ATOM 0 HB VAL A 46 10.358 -7.083 -10.636 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.405 -6.933 -12.125 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.811 -5.356 -11.405 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.245 -5.700 -13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.178 -8.595 -12.571 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.092 -7.431 -13.560 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.874 -8.228 -12.174 1.00 0.00 H new ATOM 695 N ILE A 47 10.958 -4.437 -9.532 1.00 0.00 N ATOM 696 CA ILE A 47 10.436 -3.353 -8.710 1.00 0.00 C ATOM 697 C ILE A 47 11.541 -2.379 -8.317 1.00 0.00 C ATOM 698 O ILE A 47 12.410 -2.702 -7.507 1.00 0.00 O ATOM 699 CB ILE A 47 9.762 -3.889 -7.433 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.631 -4.855 -7.794 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.235 -2.739 -6.589 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.693 -4.318 -8.852 1.00 0.00 C ATOM 0 H ILE A 47 11.307 -5.237 -9.004 1.00 0.00 H new ATOM 0 HA ILE A 47 9.692 -2.831 -9.312 1.00 0.00 H new ATOM 0 HB ILE A 47 10.505 -4.431 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.063 -5.792 -8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.059 -5.084 -6.895 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.762 -3.134 -5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.061 -2.086 -6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.504 -2.171 -7.164 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.917 -5.055 -9.058 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.233 -3.396 -8.496 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.252 -4.115 -9.765 1.00 0.00 H new ATOM 714 N LYS A 48 11.503 -1.184 -8.897 1.00 0.00 N ATOM 715 CA LYS A 48 12.499 -0.160 -8.606 1.00 0.00 C ATOM 716 C LYS A 48 12.394 0.306 -7.157 1.00 0.00 C ATOM 717 O LYS A 48 13.403 0.460 -6.469 1.00 0.00 O ATOM 718 CB LYS A 48 12.325 1.032 -9.550 1.00 0.00 C ATOM 719 CG LYS A 48 12.577 0.694 -11.009 1.00 0.00 C ATOM 720 CD LYS A 48 11.309 0.217 -11.697 1.00 0.00 C ATOM 721 CE LYS A 48 11.389 0.402 -13.205 1.00 0.00 C ATOM 722 NZ LYS A 48 11.697 1.811 -13.575 1.00 0.00 N ATOM 0 H LYS A 48 10.792 -0.901 -9.572 1.00 0.00 H new ATOM 0 HA LYS A 48 13.487 -0.596 -8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.313 1.423 -9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.006 1.827 -9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.964 1.572 -11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.342 -0.079 -11.078 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.143 -0.835 -11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.453 0.768 -11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.157 -0.256 -13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.443 0.106 -13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.096 2.100 -14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.513 2.432 -12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.697 1.887 -13.850 1.00 0.00 H new ATOM 736 N LYS A 49 11.166 0.527 -6.699 1.00 0.00 N ATOM 737 CA LYS A 49 10.928 0.973 -5.332 1.00 0.00 C ATOM 738 C LYS A 49 9.829 0.144 -4.673 1.00 0.00 C ATOM 739 O LYS A 49 8.647 0.485 -4.723 1.00 0.00 O ATOM 740 CB LYS A 49 10.543 2.454 -5.315 1.00 0.00 C ATOM 741 CG LYS A 49 11.736 3.391 -5.227 1.00 0.00 C ATOM 742 CD LYS A 49 11.306 4.847 -5.283 1.00 0.00 C ATOM 743 CE LYS A 49 10.585 5.265 -4.010 1.00 0.00 C ATOM 744 NZ LYS A 49 9.950 6.605 -4.147 1.00 0.00 N ATOM 0 H LYS A 49 10.320 0.404 -7.255 1.00 0.00 H new ATOM 0 HA LYS A 49 11.850 0.838 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.977 2.684 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.882 2.640 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.278 3.206 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.425 3.182 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.181 5.480 -5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.651 5.001 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.823 4.525 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.292 5.281 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.469 6.854 -3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.680 7.315 -4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.257 6.583 -4.922 1.00 0.00 H new ATOM 758 N PRO A 50 10.226 -0.969 -4.039 1.00 0.00 N ATOM 759 CA PRO A 50 9.290 -1.868 -3.357 1.00 0.00 C ATOM 760 C PRO A 50 8.701 -1.243 -2.097 1.00 0.00 C ATOM 761 O PRO A 50 9.345 -1.210 -1.049 1.00 0.00 O ATOM 762 CB PRO A 50 10.157 -3.077 -2.999 1.00 0.00 C ATOM 763 CG PRO A 50 11.544 -2.539 -2.920 1.00 0.00 C ATOM 764 CD PRO A 50 11.619 -1.436 -3.939 1.00 0.00 C ATOM 0 HA PRO A 50 8.431 -2.113 -3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.849 -3.518 -2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.078 -3.858 -3.755 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.760 -2.162 -1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.277 -3.317 -3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.288 -0.638 -3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.991 -1.799 -4.897 1.00 0.00 H new ATOM 772 N MET A 51 7.472 -0.748 -2.206 1.00 0.00 N ATOM 773 CA MET A 51 6.796 -0.126 -1.074 1.00 0.00 C ATOM 774 C MET A 51 5.768 -1.075 -0.466 1.00 0.00 C ATOM 775 O MET A 51 5.406 -2.084 -1.072 1.00 0.00 O ATOM 776 CB MET A 51 6.113 1.172 -1.511 1.00 0.00 C ATOM 777 CG MET A 51 5.667 2.045 -0.349 1.00 0.00 C ATOM 778 SD MET A 51 7.004 2.398 0.808 1.00 0.00 S ATOM 779 CE MET A 51 8.263 3.015 -0.307 1.00 0.00 C ATOM 0 H MET A 51 6.925 -0.766 -3.066 1.00 0.00 H new ATOM 0 HA MET A 51 7.546 0.103 -0.316 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.799 1.740 -2.139 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.246 0.928 -2.125 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.270 2.983 -0.736 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.854 1.549 0.182 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.041 3.519 0.266 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.700 2.183 -0.858 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.815 3.719 -1.008 1.00 0.00 H new ATOM 789 N ASP A 52 5.301 -0.745 0.733 1.00 0.00 N ATOM 790 CA ASP A 52 4.314 -1.568 1.422 1.00 0.00 C ATOM 791 C ASP A 52 3.608 -0.769 2.513 1.00 0.00 C ATOM 792 O ASP A 52 4.164 0.184 3.058 1.00 0.00 O ATOM 793 CB ASP A 52 4.982 -2.803 2.028 1.00 0.00 C ATOM 794 CG ASP A 52 6.290 -2.473 2.719 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.299 -2.271 2.013 1.00 0.00 O ATOM 796 OD2 ASP A 52 6.305 -2.419 3.967 1.00 0.00 O ATOM 0 H ASP A 52 5.590 0.087 1.248 1.00 0.00 H new ATOM 0 HA ASP A 52 3.571 -1.889 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.303 -3.265 2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.164 -3.536 1.242 1.00 0.00 H new ATOM 801 N PHE A 53 2.378 -1.165 2.827 1.00 0.00 N ATOM 802 CA PHE A 53 1.595 -0.485 3.852 1.00 0.00 C ATOM 803 C PHE A 53 2.334 -0.477 5.186 1.00 0.00 C ATOM 804 O PHE A 53 2.342 0.527 5.898 1.00 0.00 O ATOM 805 CB PHE A 53 0.232 -1.162 4.015 1.00 0.00 C ATOM 806 CG PHE A 53 -0.734 -0.839 2.911 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.902 0.466 2.479 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.473 -1.842 2.304 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.791 0.766 1.464 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.362 -1.549 1.288 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.521 -0.243 0.867 1.00 0.00 C ATOM 0 H PHE A 53 1.903 -1.953 2.386 1.00 0.00 H new ATOM 0 HA PHE A 53 1.445 0.547 3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.374 -2.242 4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.203 -0.860 4.968 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.332 1.259 2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.352 -2.865 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.915 1.788 1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.932 -2.340 0.823 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.215 -0.011 0.072 1.00 0.00 H new ATOM 821 N SER A 54 2.955 -1.604 5.519 1.00 0.00 N ATOM 822 CA SER A 54 3.694 -1.730 6.769 1.00 0.00 C ATOM 823 C SER A 54 4.757 -0.642 6.884 1.00 0.00 C ATOM 824 O SER A 54 4.969 -0.074 7.956 1.00 0.00 O ATOM 825 CB SER A 54 4.349 -3.110 6.863 1.00 0.00 C ATOM 826 OG SER A 54 4.934 -3.311 8.138 1.00 0.00 O ATOM 0 H SER A 54 2.961 -2.444 4.940 1.00 0.00 H new ATOM 0 HA SER A 54 2.989 -1.614 7.592 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.604 -3.883 6.675 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.111 -3.208 6.090 1.00 0.00 H new ATOM 0 HG SER A 54 5.344 -4.200 8.173 1.00 0.00 H new ATOM 832 N THR A 55 5.424 -0.355 5.770 1.00 0.00 N ATOM 833 CA THR A 55 6.466 0.664 5.744 1.00 0.00 C ATOM 834 C THR A 55 5.865 2.064 5.703 1.00 0.00 C ATOM 835 O THR A 55 6.134 2.890 6.575 1.00 0.00 O ATOM 836 CB THR A 55 7.399 0.482 4.531 1.00 0.00 C ATOM 837 OG1 THR A 55 8.049 -0.792 4.600 1.00 0.00 O ATOM 838 CG2 THR A 55 8.442 1.588 4.481 1.00 0.00 C ATOM 0 H THR A 55 5.261 -0.814 4.874 1.00 0.00 H new ATOM 0 HA THR A 55 7.045 0.547 6.660 1.00 0.00 H new ATOM 0 HB THR A 55 6.796 0.532 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.375 -1.499 4.679 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.089 1.439 3.617 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.944 2.554 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.041 1.565 5.391 1.00 0.00 H new ATOM 846 N ILE A 56 5.050 2.324 4.686 1.00 0.00 N ATOM 847 CA ILE A 56 4.410 3.624 4.533 1.00 0.00 C ATOM 848 C ILE A 56 3.867 4.129 5.866 1.00 0.00 C ATOM 849 O ILE A 56 4.001 5.308 6.196 1.00 0.00 O ATOM 850 CB ILE A 56 3.259 3.569 3.511 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.810 3.335 2.103 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.445 4.853 3.561 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.853 2.594 1.195 1.00 0.00 C ATOM 0 H ILE A 56 4.818 1.651 3.956 1.00 0.00 H new ATOM 0 HA ILE A 56 5.174 4.311 4.170 1.00 0.00 H new ATOM 0 HB ILE A 56 2.604 2.737 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.054 4.297 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.740 2.771 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.635 4.799 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.027 4.980 4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.088 5.701 3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.310 2.464 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.628 1.617 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.931 3.167 1.093 1.00 0.00 H new ATOM 865 N ARG A 57 3.256 3.229 6.629 1.00 0.00 N ATOM 866 CA ARG A 57 2.694 3.583 7.927 1.00 0.00 C ATOM 867 C ARG A 57 3.778 4.106 8.865 1.00 0.00 C ATOM 868 O ARG A 57 3.718 5.247 9.321 1.00 0.00 O ATOM 869 CB ARG A 57 2.003 2.371 8.555 1.00 0.00 C ATOM 870 CG ARG A 57 0.994 2.735 9.631 1.00 0.00 C ATOM 871 CD ARG A 57 1.665 3.400 10.822 1.00 0.00 C ATOM 872 NE ARG A 57 2.735 2.576 11.378 1.00 0.00 N ATOM 873 CZ ARG A 57 2.531 1.606 12.263 1.00 0.00 C ATOM 874 NH1 ARG A 57 1.304 1.340 12.689 1.00 0.00 N ATOM 875 NH2 ARG A 57 3.555 0.899 12.722 1.00 0.00 N ATOM 0 H ARG A 57 3.137 2.249 6.371 1.00 0.00 H new ATOM 0 HA ARG A 57 1.959 4.373 7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.498 1.805 7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.759 1.715 8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.242 3.405 9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.472 1.837 9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.071 4.364 10.517 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.921 3.597 11.594 1.00 0.00 H new ATOM 0 HE ARG A 57 3.691 2.755 11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.514 1.880 12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.150 0.595 13.368 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.500 1.100 12.396 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.397 0.155 13.401 1.00 0.00 H new ATOM 889 N GLU A 58 4.766 3.264 9.147 1.00 0.00 N ATOM 890 CA GLU A 58 5.862 3.642 10.032 1.00 0.00 C ATOM 891 C GLU A 58 6.426 5.007 9.646 1.00 0.00 C ATOM 892 O GLU A 58 6.823 5.793 10.507 1.00 0.00 O ATOM 893 CB GLU A 58 6.971 2.588 9.986 1.00 0.00 C ATOM 894 CG GLU A 58 6.528 1.217 10.467 1.00 0.00 C ATOM 895 CD GLU A 58 7.656 0.204 10.461 1.00 0.00 C ATOM 896 OE1 GLU A 58 8.097 -0.188 9.361 1.00 0.00 O ATOM 897 OE2 GLU A 58 8.098 -0.197 11.558 1.00 0.00 O ATOM 0 H GLU A 58 4.831 2.316 8.776 1.00 0.00 H new ATOM 0 HA GLU A 58 5.471 3.703 11.048 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.338 2.504 8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.807 2.926 10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.127 1.303 11.477 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.718 0.857 9.832 1.00 0.00 H new ATOM 904 N LYS A 59 6.459 5.281 8.347 1.00 0.00 N ATOM 905 CA LYS A 59 6.973 6.550 7.845 1.00 0.00 C ATOM 906 C LYS A 59 5.968 7.674 8.077 1.00 0.00 C ATOM 907 O LYS A 59 6.337 8.777 8.482 1.00 0.00 O ATOM 908 CB LYS A 59 7.296 6.439 6.353 1.00 0.00 C ATOM 909 CG LYS A 59 8.486 5.544 6.053 1.00 0.00 C ATOM 910 CD LYS A 59 8.657 5.327 4.559 1.00 0.00 C ATOM 911 CE LYS A 59 9.541 6.398 3.938 1.00 0.00 C ATOM 912 NZ LYS A 59 10.987 6.123 4.164 1.00 0.00 N ATOM 0 H LYS A 59 6.136 4.641 7.622 1.00 0.00 H new ATOM 0 HA LYS A 59 7.887 6.785 8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.421 6.054 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.493 7.435 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.392 5.991 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.353 4.582 6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.094 4.345 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.680 5.334 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.345 6.455 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.286 7.370 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.556 6.875 3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.179 6.094 5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.237 5.207 3.739 1.00 0.00 H new ATOM 926 N LEU A 60 4.697 7.387 7.818 1.00 0.00 N ATOM 927 CA LEU A 60 3.638 8.374 7.999 1.00 0.00 C ATOM 928 C LEU A 60 3.676 8.960 9.407 1.00 0.00 C ATOM 929 O LEU A 60 3.854 10.165 9.583 1.00 0.00 O ATOM 930 CB LEU A 60 2.272 7.739 7.736 1.00 0.00 C ATOM 931 CG LEU A 60 1.193 8.671 7.183 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.166 7.990 7.209 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.157 9.971 7.972 1.00 0.00 C ATOM 0 H LEU A 60 4.375 6.479 7.482 1.00 0.00 H new ATOM 0 HA LEU A 60 3.800 9.181 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.406 6.915 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.908 7.308 8.669 1.00 0.00 H new ATOM 0 HG LEU A 60 1.438 8.905 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.921 8.669 6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.132 7.087 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.421 7.725 8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.384 10.622 7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.937 9.756 9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.125 10.468 7.900 1.00 0.00 H new ATOM 945 N SER A 61 3.509 8.099 10.406 1.00 0.00 N ATOM 946 CA SER A 61 3.523 8.532 11.798 1.00 0.00 C ATOM 947 C SER A 61 4.840 9.223 12.140 1.00 0.00 C ATOM 948 O SER A 61 4.856 10.255 12.810 1.00 0.00 O ATOM 949 CB SER A 61 3.305 7.337 12.728 1.00 0.00 C ATOM 950 OG SER A 61 1.984 6.837 12.615 1.00 0.00 O ATOM 0 H SER A 61 3.362 7.098 10.277 1.00 0.00 H new ATOM 0 HA SER A 61 2.711 9.246 11.938 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.018 6.549 12.485 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.498 7.635 13.759 1.00 0.00 H new ATOM 0 HG SER A 61 1.871 6.073 13.218 1.00 0.00 H new ATOM 956 N SER A 62 5.942 8.646 11.673 1.00 0.00 N ATOM 957 CA SER A 62 7.265 9.203 11.931 1.00 0.00 C ATOM 958 C SER A 62 7.374 10.621 11.378 1.00 0.00 C ATOM 959 O SER A 62 8.262 11.382 11.761 1.00 0.00 O ATOM 960 CB SER A 62 8.345 8.316 11.309 1.00 0.00 C ATOM 961 OG SER A 62 8.640 7.211 12.145 1.00 0.00 O ATOM 0 H SER A 62 5.945 7.793 11.114 1.00 0.00 H new ATOM 0 HA SER A 62 7.413 9.240 13.010 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.011 7.960 10.334 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.249 8.901 11.142 1.00 0.00 H new ATOM 0 HG SER A 62 8.115 6.435 11.858 1.00 0.00 H new ATOM 967 N GLY A 63 6.464 10.969 10.473 1.00 0.00 N ATOM 968 CA GLY A 63 6.475 12.294 9.881 1.00 0.00 C ATOM 969 C GLY A 63 7.464 12.409 8.737 1.00 0.00 C ATOM 970 O GLY A 63 8.139 13.428 8.594 1.00 0.00 O ATOM 0 H GLY A 63 5.719 10.357 10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.476 12.535 9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.723 13.029 10.647 1.00 0.00 H new ATOM 974 N GLN A 64 7.549 11.362 7.923 1.00 0.00 N ATOM 975 CA GLN A 64 8.465 11.351 6.788 1.00 0.00 C ATOM 976 C GLN A 64 7.877 12.117 5.607 1.00 0.00 C ATOM 977 O GLN A 64 8.600 12.776 4.860 1.00 0.00 O ATOM 978 CB GLN A 64 8.778 9.912 6.373 1.00 0.00 C ATOM 979 CG GLN A 64 9.452 9.098 7.465 1.00 0.00 C ATOM 980 CD GLN A 64 10.947 9.341 7.536 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.450 10.342 7.025 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.667 8.424 8.172 1.00 0.00 N ATOM 0 H GLN A 64 6.996 10.511 8.028 1.00 0.00 H new ATOM 0 HA GLN A 64 9.389 11.843 7.093 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.852 9.417 6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.422 9.928 5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.002 9.344 8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.268 8.038 7.289 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.209 7.609 8.581 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.678 8.534 8.252 1.00 0.00 H new ATOM 991 N TYR A 65 6.562 12.025 5.445 1.00 0.00 N ATOM 992 CA TYR A 65 5.877 12.707 4.353 1.00 0.00 C ATOM 993 C TYR A 65 5.660 14.181 4.682 1.00 0.00 C ATOM 994 O TYR A 65 4.929 14.536 5.607 1.00 0.00 O ATOM 995 CB TYR A 65 4.534 12.034 4.065 1.00 0.00 C ATOM 996 CG TYR A 65 4.657 10.575 3.687 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.312 10.192 2.523 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.117 9.580 4.492 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.426 8.861 2.173 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.228 8.246 4.151 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.883 7.892 2.990 1.00 0.00 C ATOM 1002 OH TYR A 65 4.994 6.564 2.645 1.00 0.00 O ATOM 0 H TYR A 65 5.949 11.485 6.056 1.00 0.00 H new ATOM 0 HA TYR A 65 6.506 12.640 3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.898 12.120 4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.035 12.569 3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.739 10.948 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.601 9.854 5.400 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.938 8.581 1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.804 7.485 4.790 1.00 0.00 H new ATOM 0 HH TYR A 65 5.725 6.154 3.153 1.00 0.00 H new ATOM 1012 N PRO A 66 6.310 15.061 3.907 1.00 0.00 N ATOM 1013 CA PRO A 66 6.204 16.511 4.095 1.00 0.00 C ATOM 1014 C PRO A 66 4.827 17.046 3.716 1.00 0.00 C ATOM 1015 O PRO A 66 4.389 18.077 4.224 1.00 0.00 O ATOM 1016 CB PRO A 66 7.272 17.071 3.152 1.00 0.00 C ATOM 1017 CG PRO A 66 7.434 16.027 2.101 1.00 0.00 C ATOM 1018 CD PRO A 66 7.198 14.709 2.786 1.00 0.00 C ATOM 0 HA PRO A 66 6.344 16.797 5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.960 18.022 2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.209 17.252 3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.723 16.177 1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.431 16.066 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.732 13.986 2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.130 14.265 3.136 1.00 0.00 H new ATOM 1026 N ASN A 67 4.147 16.336 2.820 1.00 0.00 N ATOM 1027 CA ASN A 67 2.819 16.740 2.373 1.00 0.00 C ATOM 1028 C ASN A 67 2.042 15.545 1.830 1.00 0.00 C ATOM 1029 O ASN A 67 2.573 14.438 1.730 1.00 0.00 O ATOM 1030 CB ASN A 67 2.927 17.824 1.299 1.00 0.00 C ATOM 1031 CG ASN A 67 3.129 17.245 -0.088 1.00 0.00 C ATOM 1032 OD1 ASN A 67 2.171 17.056 -0.839 1.00 0.00 O ATOM 1033 ND2 ASN A 67 4.378 16.960 -0.434 1.00 0.00 N ATOM 0 H ASN A 67 4.494 15.479 2.390 1.00 0.00 H new ATOM 0 HA ASN A 67 2.280 17.142 3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.022 18.432 1.308 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.759 18.487 1.538 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.575 16.568 -1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.141 17.133 0.221 1.00 0.00 H new ATOM 1040 N LEU A 68 0.782 15.776 1.479 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.070 14.719 0.944 1.00 0.00 C ATOM 1042 C LEU A 68 0.522 14.139 -0.337 1.00 0.00 C ATOM 1043 O LEU A 68 0.669 12.925 -0.468 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.475 15.258 0.671 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.125 16.046 1.810 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.274 16.892 1.286 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.608 15.103 2.902 1.00 0.00 C ATOM 0 H LEU A 68 0.327 16.686 1.555 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.131 13.924 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.432 15.899 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.123 14.418 0.422 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.377 16.713 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.724 17.445 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.899 17.593 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.024 16.245 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.068 15.680 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.341 14.411 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.762 14.541 3.298 1.00 0.00 H new ATOM 1059 N GLU A 69 0.860 15.016 -1.277 1.00 0.00 N ATOM 1060 CA GLU A 69 1.437 14.590 -2.546 1.00 0.00 C ATOM 1061 C GLU A 69 2.360 13.391 -2.349 1.00 0.00 C ATOM 1062 O GLU A 69 2.170 12.339 -2.960 1.00 0.00 O ATOM 1063 CB GLU A 69 2.209 15.741 -3.193 1.00 0.00 C ATOM 1064 CG GLU A 69 2.557 15.498 -4.652 1.00 0.00 C ATOM 1065 CD GLU A 69 3.900 14.816 -4.826 1.00 0.00 C ATOM 1066 OE1 GLU A 69 4.798 15.055 -3.991 1.00 0.00 O ATOM 1067 OE2 GLU A 69 4.054 14.045 -5.795 1.00 0.00 O ATOM 0 H GLU A 69 0.744 16.025 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 69 0.621 14.294 -3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.616 16.653 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.128 15.911 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.781 14.885 -5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.566 16.450 -5.183 1.00 0.00 H new ATOM 1074 N THR A 70 3.362 13.558 -1.491 1.00 0.00 N ATOM 1075 CA THR A 70 4.316 12.492 -1.214 1.00 0.00 C ATOM 1076 C THR A 70 3.608 11.233 -0.727 1.00 0.00 C ATOM 1077 O THR A 70 3.748 10.162 -1.317 1.00 0.00 O ATOM 1078 CB THR A 70 5.352 12.925 -0.160 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.686 13.378 1.024 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.244 14.032 -0.700 1.00 0.00 C ATOM 0 H THR A 70 3.533 14.422 -0.976 1.00 0.00 H new ATOM 0 HA THR A 70 4.830 12.277 -2.151 1.00 0.00 H new ATOM 0 HB THR A 70 5.975 12.063 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.848 13.824 0.778 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.967 14.321 0.062 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.772 13.675 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.633 14.895 -0.966 1.00 0.00 H new ATOM 1088 N PHE A 71 2.846 11.369 0.354 1.00 0.00 N ATOM 1089 CA PHE A 71 2.116 10.241 0.921 1.00 0.00 C ATOM 1090 C PHE A 71 1.383 9.465 -0.168 1.00 0.00 C ATOM 1091 O PHE A 71 1.439 8.236 -0.215 1.00 0.00 O ATOM 1092 CB PHE A 71 1.118 10.730 1.974 1.00 0.00 C ATOM 1093 CG PHE A 71 0.221 9.646 2.498 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.603 8.880 3.588 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -1.004 9.393 1.902 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.221 7.881 4.074 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.831 8.396 2.383 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.439 7.639 3.470 1.00 0.00 C ATOM 0 H PHE A 71 2.718 12.249 0.854 1.00 0.00 H new ATOM 0 HA PHE A 71 2.837 9.575 1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.667 11.170 2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.505 11.521 1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.555 9.065 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.316 9.982 1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.088 7.291 4.924 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.783 8.209 1.909 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.084 6.859 3.847 1.00 0.00 H new ATOM 1108 N ALA A 72 0.694 10.191 -1.043 1.00 0.00 N ATOM 1109 CA ALA A 72 -0.049 9.571 -2.134 1.00 0.00 C ATOM 1110 C ALA A 72 0.889 8.856 -3.100 1.00 0.00 C ATOM 1111 O ALA A 72 0.635 7.719 -3.500 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.873 10.616 -2.871 1.00 0.00 C ATOM 0 H ALA A 72 0.635 11.209 -1.018 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.723 8.828 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.423 10.140 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.577 11.079 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.211 11.379 -3.280 1.00 0.00 H new ATOM 1118 N LEU A 73 1.973 9.528 -3.472 1.00 0.00 N ATOM 1119 CA LEU A 73 2.949 8.956 -4.393 1.00 0.00 C ATOM 1120 C LEU A 73 3.269 7.513 -4.020 1.00 0.00 C ATOM 1121 O LEU A 73 3.132 6.604 -4.839 1.00 0.00 O ATOM 1122 CB LEU A 73 4.230 9.792 -4.393 1.00 0.00 C ATOM 1123 CG LEU A 73 4.144 11.153 -5.084 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.300 12.044 -4.655 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.132 10.983 -6.596 1.00 0.00 C ATOM 0 H LEU A 73 2.198 10.469 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 73 2.517 8.965 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.536 9.951 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.018 9.212 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 73 3.212 11.633 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.222 13.008 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.264 12.193 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.244 11.570 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.070 11.962 -7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.047 10.482 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.270 10.383 -6.888 1.00 0.00 H new ATOM 1137 N ASP A 74 3.695 7.309 -2.778 1.00 0.00 N ATOM 1138 CA ASP A 74 4.032 5.975 -2.294 1.00 0.00 C ATOM 1139 C ASP A 74 2.838 5.034 -2.418 1.00 0.00 C ATOM 1140 O ASP A 74 2.935 3.966 -3.022 1.00 0.00 O ATOM 1141 CB ASP A 74 4.498 6.040 -0.839 1.00 0.00 C ATOM 1142 CG ASP A 74 3.616 6.932 0.012 1.00 0.00 C ATOM 1143 OD1 ASP A 74 3.831 8.163 0.002 1.00 0.00 O ATOM 1144 OD2 ASP A 74 2.711 6.401 0.688 1.00 0.00 O ATOM 0 H ASP A 74 3.815 8.051 -2.088 1.00 0.00 H new ATOM 0 HA ASP A 74 4.843 5.586 -2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.507 5.035 -0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.523 6.409 -0.805 1.00 0.00 H new ATOM 1149 N VAL A 75 1.711 5.438 -1.839 1.00 0.00 N ATOM 1150 CA VAL A 75 0.497 4.631 -1.884 1.00 0.00 C ATOM 1151 C VAL A 75 0.220 4.133 -3.298 1.00 0.00 C ATOM 1152 O VAL A 75 0.127 2.929 -3.536 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.724 5.426 -1.383 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -1.965 4.547 -1.370 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.454 6.002 -0.002 1.00 0.00 C ATOM 0 H VAL A 75 1.614 6.319 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 75 0.660 3.777 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.902 6.255 -2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.817 5.126 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.167 4.188 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.802 3.696 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.327 6.560 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.249 5.191 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.408 6.668 -0.048 1.00 0.00 H new ATOM 1165 N ARG A 76 0.090 5.068 -4.234 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.176 4.724 -5.625 1.00 0.00 C ATOM 1167 C ARG A 76 0.841 3.709 -6.139 1.00 0.00 C ATOM 1168 O ARG A 76 0.521 2.862 -6.974 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.146 5.980 -6.498 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.121 7.056 -6.051 1.00 0.00 C ATOM 1171 CD ARG A 76 -0.929 8.343 -6.838 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.899 9.367 -6.458 1.00 0.00 N ATOM 1173 CZ ARG A 76 -2.106 10.478 -7.156 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -1.415 10.707 -8.264 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -3.007 11.362 -6.746 1.00 0.00 N ATOM 0 H ARG A 76 0.165 6.069 -4.054 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.168 4.276 -5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.863 6.392 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.372 5.702 -7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.143 6.699 -6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.984 7.254 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.080 8.721 -6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.022 8.134 -7.904 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.447 9.221 -5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.722 10.029 -8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.576 11.561 -8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.541 11.188 -5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.165 12.215 -7.282 1.00 0.00 H new ATOM 1189 N LEU A 77 2.067 3.801 -5.636 1.00 0.00 N ATOM 1190 CA LEU A 77 3.132 2.892 -6.044 1.00 0.00 C ATOM 1191 C LEU A 77 2.883 1.486 -5.507 1.00 0.00 C ATOM 1192 O LEU A 77 3.136 0.495 -6.192 1.00 0.00 O ATOM 1193 CB LEU A 77 4.485 3.406 -5.550 1.00 0.00 C ATOM 1194 CG LEU A 77 5.717 2.682 -6.094 1.00 0.00 C ATOM 1195 CD1 LEU A 77 5.927 3.013 -7.563 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.952 3.047 -5.282 1.00 0.00 C ATOM 0 H LEU A 77 2.348 4.496 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 77 3.142 2.849 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.566 4.462 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.501 3.341 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 77 5.551 1.608 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.808 2.488 -7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.053 2.701 -8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.070 4.088 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.819 2.523 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.120 4.122 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.802 2.758 -4.242 1.00 0.00 H new ATOM 1208 N VAL A 78 2.383 1.407 -4.278 1.00 0.00 N ATOM 1209 CA VAL A 78 2.097 0.123 -3.650 1.00 0.00 C ATOM 1210 C VAL A 78 1.248 -0.756 -4.561 1.00 0.00 C ATOM 1211 O VAL A 78 1.429 -1.973 -4.613 1.00 0.00 O ATOM 1212 CB VAL A 78 1.367 0.306 -2.306 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.092 -1.043 -1.659 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.179 1.196 -1.376 1.00 0.00 C ATOM 0 H VAL A 78 2.168 2.218 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 78 3.056 -0.363 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 78 0.410 0.793 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.576 -0.893 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.468 -1.644 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.035 -1.560 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.649 1.315 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.151 0.739 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.320 2.173 -1.838 1.00 0.00 H new ATOM 1224 N PHE A 79 0.319 -0.133 -5.279 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.560 -0.859 -6.188 1.00 0.00 C ATOM 1226 C PHE A 79 0.027 -0.897 -7.596 1.00 0.00 C ATOM 1227 O PHE A 79 -0.470 -1.610 -8.468 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.945 -0.211 -6.218 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.434 0.221 -4.865 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.313 -0.619 -3.770 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -3.015 1.466 -4.689 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -2.763 -0.224 -2.524 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.466 1.867 -3.445 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.339 1.021 -2.361 1.00 0.00 C ATOM 0 H PHE A 79 0.156 0.873 -5.249 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.653 -1.882 -5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.918 0.655 -6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.658 -0.916 -6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.862 -1.593 -3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.117 2.131 -5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.664 -0.888 -1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.917 2.841 -3.321 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.689 1.332 -1.388 1.00 0.00 H new ATOM 1244 N ASP A 80 1.087 -0.125 -7.810 1.00 0.00 N ATOM 1245 CA ASP A 80 1.742 -0.070 -9.112 1.00 0.00 C ATOM 1246 C ASP A 80 2.726 -1.224 -9.274 1.00 0.00 C ATOM 1247 O ASP A 80 2.643 -1.993 -10.231 1.00 0.00 O ATOM 1248 CB ASP A 80 2.470 1.265 -9.284 1.00 0.00 C ATOM 1249 CG ASP A 80 2.817 1.552 -10.731 1.00 0.00 C ATOM 1250 OD1 ASP A 80 3.173 0.600 -11.457 1.00 0.00 O ATOM 1251 OD2 ASP A 80 2.732 2.730 -11.138 1.00 0.00 O ATOM 0 H ASP A 80 1.511 0.471 -7.099 1.00 0.00 H new ATOM 0 HA ASP A 80 0.975 -0.159 -9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.844 2.069 -8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.383 1.257 -8.689 1.00 0.00 H new ATOM 1256 N ASN A 81 3.657 -1.339 -8.333 1.00 0.00 N ATOM 1257 CA ASN A 81 4.657 -2.399 -8.373 1.00 0.00 C ATOM 1258 C ASN A 81 3.995 -3.774 -8.354 1.00 0.00 C ATOM 1259 O ASN A 81 4.109 -4.542 -9.309 1.00 0.00 O ATOM 1260 CB ASN A 81 5.618 -2.267 -7.189 1.00 0.00 C ATOM 1261 CG ASN A 81 4.949 -1.672 -5.965 1.00 0.00 C ATOM 1262 OD1 ASN A 81 3.750 -1.852 -5.750 1.00 0.00 O ATOM 1263 ND2 ASN A 81 5.723 -0.957 -5.156 1.00 0.00 N ATOM 0 H ASN A 81 3.740 -0.711 -7.533 1.00 0.00 H new ATOM 0 HA ASN A 81 5.219 -2.299 -9.302 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.019 -3.249 -6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.463 -1.642 -7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.328 -0.531 -4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.712 -0.834 -5.373 1.00 0.00 H new ATOM 1270 N CYS A 82 3.303 -4.075 -7.261 1.00 0.00 N ATOM 1271 CA CYS A 82 2.622 -5.357 -7.117 1.00 0.00 C ATOM 1272 C CYS A 82 1.951 -5.766 -8.424 1.00 0.00 C ATOM 1273 O CYS A 82 2.149 -6.878 -8.913 1.00 0.00 O ATOM 1274 CB CYS A 82 1.583 -5.283 -5.998 1.00 0.00 C ATOM 1275 SG CYS A 82 2.239 -5.658 -4.355 1.00 0.00 S ATOM 0 H CYS A 82 3.199 -3.450 -6.462 1.00 0.00 H new ATOM 0 HA CYS A 82 3.368 -6.110 -6.861 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.150 -4.283 -5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.774 -5.978 -6.222 1.00 0.00 H new ATOM 0 HG CYS A 82 1.442 -5.174 -3.449 1.00 0.00 H new ATOM 1281 N GLU A 83 1.156 -4.860 -8.984 1.00 0.00 N ATOM 1282 CA GLU A 83 0.454 -5.128 -10.234 1.00 0.00 C ATOM 1283 C GLU A 83 1.440 -5.435 -11.357 1.00 0.00 C ATOM 1284 O GLU A 83 1.189 -6.296 -12.201 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.420 -3.933 -10.620 1.00 0.00 C ATOM 1286 CG GLU A 83 -1.367 -4.219 -11.774 1.00 0.00 C ATOM 1287 CD GLU A 83 -2.427 -5.243 -11.418 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -2.169 -6.452 -11.595 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -3.516 -4.835 -10.962 1.00 0.00 O ATOM 0 H GLU A 83 0.982 -3.934 -8.592 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.182 -6.001 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.002 -3.624 -9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.223 -3.095 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.851 -3.292 -12.080 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.794 -4.577 -12.629 1.00 0.00 H new ATOM 1296 N THR A 84 2.563 -4.724 -11.361 1.00 0.00 N ATOM 1297 CA THR A 84 3.587 -4.919 -12.380 1.00 0.00 C ATOM 1298 C THR A 84 4.243 -6.288 -12.247 1.00 0.00 C ATOM 1299 O THR A 84 4.290 -7.061 -13.204 1.00 0.00 O ATOM 1300 CB THR A 84 4.675 -3.831 -12.298 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.134 -2.566 -12.696 1.00 0.00 O ATOM 1302 CG2 THR A 84 5.859 -4.183 -13.186 1.00 0.00 C ATOM 0 H THR A 84 2.787 -4.008 -10.670 1.00 0.00 H new ATOM 0 HA THR A 84 3.087 -4.852 -13.346 1.00 0.00 H new ATOM 0 HB THR A 84 5.020 -3.770 -11.266 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.582 -2.204 -11.972 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.614 -3.401 -13.112 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.287 -5.132 -12.863 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.525 -4.269 -14.220 1.00 0.00 H new ATOM 1310 N PHE A 85 4.747 -6.584 -11.053 1.00 0.00 N ATOM 1311 CA PHE A 85 5.401 -7.861 -10.795 1.00 0.00 C ATOM 1312 C PHE A 85 4.401 -9.011 -10.877 1.00 0.00 C ATOM 1313 O PHE A 85 4.571 -9.940 -11.665 1.00 0.00 O ATOM 1314 CB PHE A 85 6.067 -7.848 -9.417 1.00 0.00 C ATOM 1315 CG PHE A 85 6.986 -9.013 -9.185 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.319 -8.947 -9.556 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.516 -10.176 -8.594 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.167 -10.017 -9.343 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.359 -11.249 -8.378 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.686 -11.170 -8.754 1.00 0.00 C ATOM 0 H PHE A 85 4.715 -5.957 -10.249 1.00 0.00 H new ATOM 0 HA PHE A 85 6.164 -8.010 -11.559 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.631 -6.922 -9.304 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.294 -7.847 -8.649 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.700 -8.048 -10.017 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.479 -10.244 -8.299 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.204 -9.952 -9.637 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.981 -12.149 -7.916 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.346 -12.008 -8.588 1.00 0.00 H new ATOM 1330 N ASN A 86 3.358 -8.940 -10.057 1.00 0.00 N ATOM 1331 CA ASN A 86 2.330 -9.974 -10.035 1.00 0.00 C ATOM 1332 C ASN A 86 1.348 -9.789 -11.188 1.00 0.00 C ATOM 1333 O ASN A 86 0.960 -8.667 -11.511 1.00 0.00 O ATOM 1334 CB ASN A 86 1.580 -9.949 -8.702 1.00 0.00 C ATOM 1335 CG ASN A 86 2.464 -10.340 -7.534 1.00 0.00 C ATOM 1336 OD1 ASN A 86 2.291 -11.404 -6.939 1.00 0.00 O ATOM 1337 ND2 ASN A 86 3.417 -9.479 -7.199 1.00 0.00 N ATOM 0 H ASN A 86 3.202 -8.177 -9.399 1.00 0.00 H new ATOM 0 HA ASN A 86 2.820 -10.941 -10.150 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.179 -8.950 -8.532 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.729 -10.629 -8.754 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.042 -9.688 -6.420 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.524 -8.609 -7.720 1.00 0.00 H new ATOM 1383 N SER A 90 -3.282 -13.123 -11.080 1.00 0.00 N ATOM 1384 CA SER A 90 -2.899 -13.709 -9.801 1.00 0.00 C ATOM 1385 C SER A 90 -3.645 -13.038 -8.652 1.00 0.00 C ATOM 1386 O SER A 90 -4.103 -11.902 -8.773 1.00 0.00 O ATOM 1387 CB SER A 90 -1.390 -13.581 -9.589 1.00 0.00 C ATOM 1388 OG SER A 90 -1.036 -12.256 -9.231 1.00 0.00 O ATOM 0 HA SER A 90 -3.167 -14.765 -9.818 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.070 -14.270 -8.808 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.866 -13.867 -10.501 1.00 0.00 H new ATOM 0 HG SER A 90 -0.753 -12.235 -8.293 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.763 -13.750 -7.536 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.452 -13.225 -6.363 1.00 0.00 C ATOM 1396 C ASP A 91 -4.083 -11.764 -6.125 1.00 0.00 C ATOM 1397 O ASP A 91 -4.931 -10.876 -6.223 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.108 -14.058 -5.128 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.375 -15.536 -5.334 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -5.560 -15.916 -5.438 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -3.399 -16.314 -5.390 1.00 0.00 O ATOM 0 H ASP A 91 -3.390 -14.692 -7.419 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.525 -13.285 -6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.057 -13.913 -4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.691 -13.701 -4.279 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.814 -11.523 -5.812 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.334 -10.170 -5.561 1.00 0.00 C ATOM 1408 C ILE A 92 -2.779 -9.214 -6.663 1.00 0.00 C ATOM 1409 O ILE A 92 -3.352 -8.160 -6.392 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.799 -10.129 -5.450 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.342 -10.777 -4.142 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.299 -8.694 -5.539 1.00 0.00 C ATOM 1413 CD1 ILE A 92 1.068 -10.404 -3.742 1.00 0.00 C ATOM 0 H ILE A 92 -2.100 -12.247 -5.726 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.767 -9.853 -4.612 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.375 -10.693 -6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.026 -10.487 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.408 -11.861 -4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.788 -8.682 -5.459 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.597 -8.263 -6.495 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.729 -8.108 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.324 -10.900 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.762 -10.719 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.135 -9.324 -3.611 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.512 -9.592 -7.910 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.893 -8.759 -9.035 1.00 0.00 C ATOM 1427 C GLY A 93 -4.277 -8.164 -8.873 1.00 0.00 C ATOM 1428 O GLY A 93 -4.425 -6.951 -8.723 1.00 0.00 O ATOM 0 H GLY A 93 -2.039 -10.460 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.166 -7.955 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.860 -9.351 -9.949 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.295 -9.018 -8.906 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.675 -8.569 -8.765 1.00 0.00 C ATOM 1434 C ARG A 94 -6.814 -7.601 -7.593 1.00 0.00 C ATOM 1435 O ARG A 94 -7.460 -6.561 -7.709 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.605 -9.767 -8.564 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.576 -10.760 -9.714 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.600 -11.868 -9.520 1.00 0.00 C ATOM 1439 NE ARG A 94 -8.057 -12.987 -8.756 1.00 0.00 N ATOM 1440 CZ ARG A 94 -8.614 -14.193 -8.723 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -9.723 -14.434 -9.408 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -8.060 -15.161 -8.004 1.00 0.00 N ATOM 0 H ARG A 94 -5.190 -10.025 -9.029 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.957 -8.048 -9.680 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.327 -10.281 -7.644 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.625 -9.406 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.775 -10.239 -10.651 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.580 -11.194 -9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.474 -11.468 -9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.938 -12.224 -10.493 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.204 -12.835 -8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.151 -13.693 -9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.148 -15.361 -9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.206 -14.980 -7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.488 -16.087 -7.979 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.203 -7.953 -6.466 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.258 -7.115 -5.275 1.00 0.00 C ATOM 1458 C ALA A 95 -5.740 -5.711 -5.567 1.00 0.00 C ATOM 1459 O ALA A 95 -6.305 -4.721 -5.104 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.460 -7.750 -4.146 1.00 0.00 C ATOM 0 H ALA A 95 -5.665 -8.812 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.300 -7.032 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.510 -7.113 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.877 -8.729 -3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.420 -7.863 -4.454 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.659 -5.632 -6.337 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.082 -4.344 -6.676 1.00 0.00 C ATOM 1468 C GLY A 96 -5.069 -3.433 -7.378 1.00 0.00 C ATOM 1469 O GLY A 96 -4.993 -2.210 -7.254 1.00 0.00 O ATOM 0 H GLY A 96 -4.173 -6.437 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.727 -3.858 -5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.213 -4.496 -7.317 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.999 -4.029 -8.117 1.00 0.00 N ATOM 1474 CA HIS A 97 -7.006 -3.262 -8.843 1.00 0.00 C ATOM 1475 C HIS A 97 -8.132 -2.826 -7.911 1.00 0.00 C ATOM 1476 O HIS A 97 -8.590 -1.685 -7.967 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.575 -4.090 -9.996 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.661 -4.176 -11.179 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.125 -3.066 -11.798 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -6.187 -5.248 -11.856 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.363 -3.452 -12.806 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.383 -4.772 -12.862 1.00 0.00 N ATOM 0 H HIS A 97 -6.077 -5.040 -8.229 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.527 -2.371 -9.248 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.789 -5.097 -9.638 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.524 -3.656 -10.311 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.401 -6.285 -11.644 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.817 -2.800 -13.471 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.883 -5.344 -13.542 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.574 -3.741 -7.054 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.647 -3.451 -6.111 1.00 0.00 C ATOM 1492 C ASN A 98 -9.245 -2.329 -5.158 1.00 0.00 C ATOM 1493 O ASN A 98 -10.062 -1.480 -4.803 1.00 0.00 O ATOM 1494 CB ASN A 98 -10.009 -4.706 -5.315 1.00 0.00 C ATOM 1495 CG ASN A 98 -10.821 -5.694 -6.130 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.337 -5.359 -7.196 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -10.936 -6.919 -5.630 1.00 0.00 N ATOM 0 H ASN A 98 -8.205 -4.690 -6.994 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.518 -3.126 -6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.095 -5.189 -4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.574 -4.420 -4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.470 -7.627 -6.134 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.491 -7.151 -4.742 1.00 0.00 H new ATOM 1504 N MET A 99 -7.981 -2.332 -4.748 1.00 0.00 N ATOM 1505 CA MET A 99 -7.470 -1.314 -3.838 1.00 0.00 C ATOM 1506 C MET A 99 -7.309 0.024 -4.554 1.00 0.00 C ATOM 1507 O MET A 99 -7.747 1.061 -4.056 1.00 0.00 O ATOM 1508 CB MET A 99 -6.129 -1.754 -3.247 1.00 0.00 C ATOM 1509 CG MET A 99 -6.231 -2.982 -2.357 1.00 0.00 C ATOM 1510 SD MET A 99 -7.518 -2.826 -1.104 1.00 0.00 S ATOM 1511 CE MET A 99 -7.053 -1.279 -0.331 1.00 0.00 C ATOM 0 H MET A 99 -7.292 -3.028 -5.032 1.00 0.00 H new ATOM 0 HA MET A 99 -8.191 -1.189 -3.030 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.433 -1.961 -4.060 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.708 -0.931 -2.670 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.434 -3.857 -2.974 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.272 -3.152 -1.868 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.339 -1.297 0.721 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.975 -1.142 -0.411 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.562 -0.455 -0.831 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.679 -0.008 -5.724 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.460 1.202 -6.507 1.00 0.00 C ATOM 1523 C ARG A 100 -7.770 1.952 -6.727 1.00 0.00 C ATOM 1524 O ARG A 100 -7.818 3.179 -6.638 1.00 0.00 O ATOM 1525 CB ARG A 100 -5.826 0.855 -7.855 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.256 2.058 -8.588 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.255 1.845 -10.093 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.151 0.992 -10.525 1.00 0.00 N ATOM 1529 CZ ARG A 100 -3.991 0.575 -11.776 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -4.857 0.932 -12.714 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -2.960 -0.199 -12.092 1.00 0.00 N ATOM 0 H ARG A 100 -6.311 -0.859 -6.150 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.781 1.847 -5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.031 0.127 -7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.575 0.377 -8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.842 2.944 -8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.238 2.245 -8.245 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.200 1.395 -10.396 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.186 2.810 -10.595 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.466 0.701 -9.828 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.649 1.529 -12.476 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.731 0.610 -13.674 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.290 -0.474 -11.374 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.838 -0.519 -13.053 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.832 1.207 -7.014 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.144 1.800 -7.246 1.00 0.00 C ATOM 1547 C LYS A 101 -10.719 2.371 -5.954 1.00 0.00 C ATOM 1548 O LYS A 101 -11.607 3.224 -5.982 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.102 0.757 -7.826 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.459 -0.350 -6.849 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.811 -0.965 -7.173 1.00 0.00 C ATOM 1552 CE LYS A 101 -12.705 -1.981 -8.300 1.00 0.00 C ATOM 1553 NZ LYS A 101 -14.042 -2.354 -8.839 1.00 0.00 N ATOM 0 H LYS A 101 -8.810 0.190 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.026 2.614 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.017 1.255 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.650 0.315 -8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.691 -1.123 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.473 0.049 -5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.215 -1.448 -6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.511 -0.179 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.092 -1.571 -9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.198 -2.875 -7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.926 -3.048 -9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.619 -2.769 -8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.516 -1.506 -9.209 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.207 1.898 -4.823 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.670 2.361 -3.521 1.00 0.00 C ATOM 1569 C TYR A 102 -9.892 3.595 -3.073 1.00 0.00 C ATOM 1570 O TYR A 102 -10.465 4.546 -2.541 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.528 1.249 -2.480 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.880 1.686 -1.076 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -11.881 2.622 -0.849 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.211 1.162 0.024 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -12.205 3.025 0.432 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.530 1.557 1.308 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.528 2.489 1.507 1.00 0.00 C ATOM 1578 OH TYR A 102 -11.847 2.886 2.785 1.00 0.00 O ATOM 0 H TYR A 102 -9.470 1.194 -4.782 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.722 2.631 -3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.169 0.414 -2.763 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.502 0.882 -2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -12.415 3.042 -1.688 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.428 0.434 -0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -12.984 3.756 0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.001 1.139 2.152 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.548 2.302 3.143 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.581 3.572 -3.293 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.723 4.687 -2.913 1.00 0.00 C ATOM 1590 C PHE A 103 -8.232 5.995 -3.511 1.00 0.00 C ATOM 1591 O PHE A 103 -8.270 7.024 -2.838 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.285 4.430 -3.369 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.352 5.571 -3.081 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.206 6.055 -1.791 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.620 6.160 -4.100 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.347 7.104 -1.522 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.760 7.209 -3.837 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.624 7.683 -2.546 1.00 0.00 C ATOM 0 H PHE A 103 -8.091 2.793 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.743 4.773 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.911 3.532 -2.877 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.282 4.230 -4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.770 5.607 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.723 5.795 -5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.241 7.470 -0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.194 7.658 -4.640 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.954 8.504 -2.339 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.624 5.945 -4.781 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.130 7.126 -5.470 1.00 0.00 C ATOM 1610 C GLU A 104 -10.502 7.523 -4.934 1.00 0.00 C ATOM 1611 O GLU A 104 -10.665 8.589 -4.339 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.214 6.868 -6.976 1.00 0.00 C ATOM 1613 CG GLU A 104 -7.891 6.453 -7.597 1.00 0.00 C ATOM 1614 CD GLU A 104 -7.953 6.386 -9.111 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -7.682 7.418 -9.761 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -8.272 5.304 -9.645 1.00 0.00 O ATOM 0 H GLU A 104 -8.601 5.100 -5.352 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.436 7.947 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.953 6.089 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.571 7.771 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.117 7.160 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.600 5.478 -7.205 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.487 6.658 -5.148 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.846 6.915 -4.687 1.00 0.00 C ATOM 1625 C LYS A 105 -12.847 7.403 -3.241 1.00 0.00 C ATOM 1626 O LYS A 105 -13.657 8.248 -2.860 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.697 5.649 -4.809 1.00 0.00 C ATOM 1628 CG LYS A 105 -14.077 5.308 -6.240 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.106 6.281 -6.791 1.00 0.00 C ATOM 1630 CE LYS A 105 -15.372 6.034 -8.268 1.00 0.00 C ATOM 1631 NZ LYS A 105 -16.262 4.860 -8.483 1.00 0.00 N ATOM 0 H LYS A 105 -11.369 5.771 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.274 7.695 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.150 4.811 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.606 5.774 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.186 5.325 -6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.476 4.294 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.036 6.184 -6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.754 7.303 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.828 6.921 -8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.426 5.872 -8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.419 4.725 -9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.816 4.009 -8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.174 5.025 -8.011 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.933 6.866 -2.440 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.825 7.248 -1.037 1.00 0.00 C ATOM 1647 C LYS A 106 -11.082 8.571 -0.889 1.00 0.00 C ATOM 1648 O LYS A 106 -11.526 9.466 -0.170 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.106 6.155 -0.244 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.836 6.531 1.203 1.00 0.00 C ATOM 1651 CD LYS A 106 -12.128 6.740 1.975 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.865 6.929 3.461 1.00 0.00 C ATOM 1653 NZ LYS A 106 -13.005 6.449 4.291 1.00 0.00 N ATOM 0 H LYS A 106 -11.256 6.164 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.833 7.372 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.706 5.246 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.160 5.925 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.249 5.747 1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.239 7.442 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.650 7.613 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.784 5.883 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.960 6.390 3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.685 7.984 3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.787 6.595 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.864 6.980 4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.161 5.436 4.114 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.950 8.688 -1.574 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.146 9.904 -1.519 1.00 0.00 C ATOM 1669 C TRP A 107 -9.942 11.106 -2.015 1.00 0.00 C ATOM 1670 O TRP A 107 -10.180 12.057 -1.270 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.875 9.738 -2.354 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.956 10.920 -2.279 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -7.067 12.089 -2.976 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.787 11.045 -1.463 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -6.036 12.934 -2.643 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.237 12.318 -1.716 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.151 10.208 -0.542 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.083 12.769 -1.081 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -4.006 10.658 0.086 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.482 11.929 -0.184 1.00 0.00 C ATOM 0 H TRP A 107 -9.568 7.956 -2.174 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.869 10.080 -0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.341 8.850 -2.017 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.152 9.568 -3.394 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.850 12.316 -3.685 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.889 13.869 -3.024 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.548 9.227 -0.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.677 13.748 -1.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.506 10.019 0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.586 12.252 0.326 1.00 0.00 H new ATOM 1691 N THR A 108 -10.351 11.058 -3.279 1.00 0.00 N ATOM 1692 CA THR A 108 -11.119 12.144 -3.875 1.00 0.00 C ATOM 1693 C THR A 108 -12.228 12.612 -2.939 1.00 0.00 C ATOM 1694 O THR A 108 -12.565 13.795 -2.904 1.00 0.00 O ATOM 1695 CB THR A 108 -11.743 11.719 -5.219 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.319 12.856 -5.872 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.809 10.655 -5.008 1.00 0.00 C ATOM 0 H THR A 108 -10.163 10.279 -3.910 1.00 0.00 H new ATOM 0 HA THR A 108 -10.423 12.965 -4.049 1.00 0.00 H new ATOM 0 HB THR A 108 -10.955 11.301 -5.845 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.712 12.579 -6.726 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.235 10.371 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.361 9.780 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.596 11.051 -4.366 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.790 11.676 -2.182 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.860 11.994 -1.243 1.00 0.00 C ATOM 1707 C ASP A 109 -13.307 12.697 -0.007 1.00 0.00 C ATOM 1708 O ASP A 109 -13.934 13.608 0.534 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.601 10.720 -0.832 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.992 11.006 -0.301 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.564 12.052 -0.670 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.508 10.183 0.485 1.00 0.00 O ATOM 0 H ASP A 109 -12.523 10.692 -2.200 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.558 12.668 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.673 10.052 -1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.024 10.198 -0.069 1.00 0.00 H new ATOM 1717 N THR A 110 -12.130 12.268 0.435 1.00 0.00 N ATOM 1718 CA THR A 110 -11.494 12.854 1.608 1.00 0.00 C ATOM 1719 C THR A 110 -11.291 14.355 1.431 1.00 0.00 C ATOM 1720 O THR A 110 -11.859 15.159 2.170 1.00 0.00 O ATOM 1721 CB THR A 110 -10.132 12.195 1.898 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.313 10.805 2.190 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.438 12.878 3.066 1.00 0.00 C ATOM 0 H THR A 110 -11.597 11.516 -0.002 1.00 0.00 H new ATOM 0 HA THR A 110 -12.162 12.676 2.451 1.00 0.00 H new ATOM 0 HB THR A 110 -9.506 12.301 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.715 10.358 1.416 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.479 12.395 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.275 13.929 2.828 1.00 0.00 H new ATOM 0 HG23 THR A 110 -10.062 12.800 3.956 1.00 0.00 H new