USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -5.56! C(o=-5.4!,f=-11!) USER MOD Set 1.2: A 79 SER OG : rot -113:sc= 0.179 USER MOD Single : A 12 CYS SG : rot -80:sc= -1.32 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -6:sc= 0.889 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0533 USER MOD Single : A 24 SER OG : rot -170:sc= -0.789 USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= -0.308 (180deg=-1.53!) USER MOD Single : A 27 THR OG1 : rot 21:sc= 0.248 USER MOD Single : A 35 TYR OH : rot 120:sc= -1.78 USER MOD Single : A 36 MET CE :methyl -123:sc= -0.442 (180deg=-3.21) USER MOD Single : A 37 THR OG1 : rot -130:sc= -0.198 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -127:sc= 0.9 USER MOD Single : A 69 HIS : no HE2:sc= -2.7! C(o=-2.7!,f=-3.2!) USER MOD Single : A 75 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.611) USER MOD Single : A 77 LYS NZ :NH3+ -143:sc= -0.498 (180deg=-2.06) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -171:sc= 0 (180deg=-0.116) USER MOD Single : A 90 LYS NZ :NH3+ 144:sc= 0.116 (180deg=-0.00673) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.226 -8.418 -12.185 1.00 0.00 N ATOM 84 CA PRO A 9 -0.565 -7.349 -11.241 1.00 0.00 C ATOM 85 C PRO A 9 -0.224 -5.966 -11.786 1.00 0.00 C ATOM 86 O PRO A 9 0.085 -5.812 -12.968 1.00 0.00 O ATOM 87 CB PRO A 9 0.299 -7.669 -10.019 1.00 0.00 C ATOM 88 CG PRO A 9 1.451 -8.442 -10.560 1.00 0.00 C ATOM 89 CD PRO A 9 0.912 -9.229 -11.722 1.00 0.00 C ATOM 0 HA PRO A 9 -1.634 -7.316 -11.028 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.632 -6.759 -9.521 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.257 -8.250 -9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.253 -7.776 -10.878 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.868 -9.103 -9.801 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.661 -9.354 -12.504 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.597 -10.228 -11.419 1.00 0.00 H new ATOM 97 N ARG A 10 -0.283 -4.962 -10.917 1.00 0.00 N ATOM 98 CA ARG A 10 0.018 -3.591 -11.312 1.00 0.00 C ATOM 99 C ARG A 10 1.184 -3.035 -10.499 1.00 0.00 C ATOM 100 O ARG A 10 1.206 -3.142 -9.272 1.00 0.00 O ATOM 101 CB ARG A 10 -1.214 -2.703 -11.131 1.00 0.00 C ATOM 102 CG ARG A 10 -2.169 -2.738 -12.312 1.00 0.00 C ATOM 103 CD ARG A 10 -3.437 -1.948 -12.027 1.00 0.00 C ATOM 104 NE ARG A 10 -3.248 -0.515 -12.239 1.00 0.00 N ATOM 105 CZ ARG A 10 -4.247 0.360 -12.278 1.00 0.00 C ATOM 106 NH1 ARG A 10 -5.498 -0.050 -12.120 1.00 0.00 N ATOM 107 NH2 ARG A 10 -3.995 1.648 -12.475 1.00 0.00 N ATOM 0 H ARG A 10 -0.536 -5.072 -9.935 1.00 0.00 H new ATOM 0 HA ARG A 10 0.301 -3.596 -12.365 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.748 -3.016 -10.234 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.890 -1.675 -10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.675 -2.329 -13.193 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.427 -3.772 -12.542 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.240 -2.307 -12.671 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.750 -2.124 -10.998 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.297 -0.167 -12.364 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.695 -1.039 -11.968 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.263 0.624 -12.150 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.034 1.967 -12.597 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.763 2.319 -12.505 1.00 0.00 H new ATOM 121 N LEU A 11 2.150 -2.441 -11.190 1.00 0.00 N ATOM 122 CA LEU A 11 3.320 -1.868 -10.533 1.00 0.00 C ATOM 123 C LEU A 11 3.030 -0.453 -10.043 1.00 0.00 C ATOM 124 O LEU A 11 2.782 0.452 -10.841 1.00 0.00 O ATOM 125 CB LEU A 11 4.512 -1.855 -11.491 1.00 0.00 C ATOM 126 CG LEU A 11 5.878 -1.586 -10.859 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.868 -0.264 -10.107 1.00 0.00 C ATOM 128 CD2 LEU A 11 6.270 -2.726 -9.931 1.00 0.00 C ATOM 0 H LEU A 11 2.147 -2.343 -12.205 1.00 0.00 H new ATOM 0 HA LEU A 11 3.563 -2.489 -9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.553 -2.817 -12.001 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.331 -1.098 -12.254 1.00 0.00 H new ATOM 0 HG LEU A 11 6.619 -1.521 -11.656 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.849 -0.090 -9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.633 0.546 -10.798 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.115 -0.299 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.245 -2.517 -9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.527 -2.823 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.319 -3.656 -10.498 1.00 0.00 H new ATOM 140 N CYS A 12 3.066 -0.269 -8.728 1.00 0.00 N ATOM 141 CA CYS A 12 2.808 1.037 -8.132 1.00 0.00 C ATOM 142 C CYS A 12 4.111 1.703 -7.699 1.00 0.00 C ATOM 143 O CYS A 12 4.640 1.415 -6.625 1.00 0.00 O ATOM 144 CB CYS A 12 1.869 0.897 -6.933 1.00 0.00 C ATOM 145 SG CYS A 12 0.425 -0.145 -7.244 1.00 0.00 S ATOM 0 H CYS A 12 3.271 -1.007 -8.055 1.00 0.00 H new ATOM 0 HA CYS A 12 2.332 1.666 -8.885 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.428 0.483 -6.094 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.530 1.889 -6.633 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.474 0.540 -7.887 1.00 0.00 H new ATOM 151 N TYR A 13 4.623 2.593 -8.541 1.00 0.00 N ATOM 152 CA TYR A 13 5.865 3.297 -8.248 1.00 0.00 C ATOM 153 C TYR A 13 5.603 4.529 -7.388 1.00 0.00 C ATOM 154 O TYR A 13 5.140 5.559 -7.882 1.00 0.00 O ATOM 155 CB TYR A 13 6.563 3.705 -9.546 1.00 0.00 C ATOM 156 CG TYR A 13 8.072 3.706 -9.448 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.794 2.521 -9.525 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.776 4.892 -9.277 1.00 0.00 C ATOM 159 CE1 TYR A 13 10.172 2.517 -9.435 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.155 4.897 -9.187 1.00 0.00 C ATOM 161 CZ TYR A 13 10.848 3.708 -9.267 1.00 0.00 C ATOM 162 OH TYR A 13 12.221 3.709 -9.177 1.00 0.00 O ATOM 0 H TYR A 13 4.197 2.844 -9.433 1.00 0.00 H new ATOM 0 HA TYR A 13 6.514 2.620 -7.692 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.259 3.024 -10.341 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.225 4.701 -9.833 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.268 1.587 -9.658 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.236 5.825 -9.213 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.717 1.587 -9.496 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.687 5.828 -9.055 1.00 0.00 H new ATOM 0 HH TYR A 13 12.541 4.628 -9.062 1.00 0.00 H new ATOM 172 N LEU A 14 5.902 4.418 -6.099 1.00 0.00 N ATOM 173 CA LEU A 14 5.700 5.523 -5.168 1.00 0.00 C ATOM 174 C LEU A 14 6.941 6.407 -5.095 1.00 0.00 C ATOM 175 O LEU A 14 8.069 5.913 -5.095 1.00 0.00 O ATOM 176 CB LEU A 14 5.359 4.988 -3.776 1.00 0.00 C ATOM 177 CG LEU A 14 3.873 4.770 -3.487 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.204 6.084 -3.115 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.183 4.139 -4.687 1.00 0.00 C ATOM 0 H LEU A 14 6.285 3.574 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 14 4.868 6.125 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.879 4.040 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.755 5.682 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 14 3.783 4.088 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.147 5.910 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.681 6.496 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.304 6.790 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.127 3.991 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.282 4.796 -5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.645 3.177 -4.908 1.00 0.00 H new ATOM 191 N VAL A 15 6.725 7.717 -5.031 1.00 0.00 N ATOM 192 CA VAL A 15 7.826 8.670 -4.954 1.00 0.00 C ATOM 193 C VAL A 15 7.642 9.628 -3.782 1.00 0.00 C ATOM 194 O VAL A 15 6.525 10.046 -3.477 1.00 0.00 O ATOM 195 CB VAL A 15 7.954 9.486 -6.254 1.00 0.00 C ATOM 196 CG1 VAL A 15 8.947 10.624 -6.075 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.366 8.585 -7.408 1.00 0.00 C ATOM 0 H VAL A 15 5.798 8.142 -5.031 1.00 0.00 H new ATOM 0 HA VAL A 15 8.737 8.090 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 15 6.981 9.919 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.024 11.189 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.605 11.283 -5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.924 10.217 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.452 9.177 -8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.327 8.123 -7.183 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.614 7.808 -7.550 1.00 0.00 H new ATOM 207 N LYS A 16 8.746 9.974 -3.128 1.00 0.00 N ATOM 208 CA LYS A 16 8.708 10.885 -1.991 1.00 0.00 C ATOM 209 C LYS A 16 8.504 12.324 -2.452 1.00 0.00 C ATOM 210 O LYS A 16 9.432 12.965 -2.945 1.00 0.00 O ATOM 211 CB LYS A 16 10.003 10.777 -1.182 1.00 0.00 C ATOM 212 CG LYS A 16 9.948 9.730 -0.083 1.00 0.00 C ATOM 213 CD LYS A 16 11.248 9.677 0.702 1.00 0.00 C ATOM 214 CE LYS A 16 11.029 9.142 2.109 1.00 0.00 C ATOM 215 NZ LYS A 16 10.541 10.202 3.035 1.00 0.00 N ATOM 0 H LYS A 16 9.679 9.637 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 16 7.866 10.602 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.825 10.540 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.226 11.747 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.123 9.954 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.746 8.752 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.965 9.044 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.683 10.675 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.308 8.325 2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.963 8.728 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.404 9.798 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.241 10.970 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.637 10.579 2.685 1.00 0.00 H new ATOM 229 N GLU A 17 7.283 12.826 -2.288 1.00 0.00 N ATOM 230 CA GLU A 17 6.959 14.190 -2.688 1.00 0.00 C ATOM 231 C GLU A 17 6.538 15.025 -1.482 1.00 0.00 C ATOM 232 O GLU A 17 6.873 16.205 -1.383 1.00 0.00 O ATOM 233 CB GLU A 17 5.842 14.186 -3.734 1.00 0.00 C ATOM 234 CG GLU A 17 6.281 13.660 -5.091 1.00 0.00 C ATOM 235 CD GLU A 17 7.000 14.708 -5.918 1.00 0.00 C ATOM 236 OE1 GLU A 17 7.668 15.579 -5.322 1.00 0.00 O ATOM 237 OE2 GLU A 17 6.894 14.659 -7.161 1.00 0.00 O ATOM 0 H GLU A 17 6.504 12.309 -1.881 1.00 0.00 H new ATOM 0 HA GLU A 17 7.853 14.636 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.015 13.577 -3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.463 15.201 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.937 12.802 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.408 13.306 -5.639 1.00 0.00 H new ATOM 244 N GLY A 18 5.801 14.403 -0.567 1.00 0.00 N ATOM 245 CA GLY A 18 5.346 15.103 0.620 1.00 0.00 C ATOM 246 C GLY A 18 5.946 14.539 1.892 1.00 0.00 C ATOM 247 O GLY A 18 6.679 13.551 1.856 1.00 0.00 O ATOM 0 H GLY A 18 5.511 13.427 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.605 16.159 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.259 15.045 0.678 1.00 0.00 H new ATOM 251 N GLY A 19 5.636 15.169 3.021 1.00 0.00 N ATOM 252 CA GLY A 19 6.161 14.711 4.294 1.00 0.00 C ATOM 253 C GLY A 19 6.293 13.202 4.358 1.00 0.00 C ATOM 254 O GLY A 19 7.196 12.678 5.010 1.00 0.00 O ATOM 0 H GLY A 19 5.031 15.988 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.137 15.166 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.506 15.050 5.097 1.00 0.00 H new ATOM 258 N SER A 20 5.390 12.501 3.679 1.00 0.00 N ATOM 259 CA SER A 20 5.407 11.043 3.665 1.00 0.00 C ATOM 260 C SER A 20 4.558 10.501 2.519 1.00 0.00 C ATOM 261 O SER A 20 3.728 11.214 1.955 1.00 0.00 O ATOM 262 CB SER A 20 4.895 10.494 4.998 1.00 0.00 C ATOM 263 OG SER A 20 5.767 10.837 6.060 1.00 0.00 O ATOM 0 H SER A 20 4.638 12.919 3.132 1.00 0.00 H new ATOM 0 HA SER A 20 6.437 10.717 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.899 10.889 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.801 9.410 4.936 1.00 0.00 H new ATOM 0 HG SER A 20 6.565 11.278 5.699 1.00 0.00 H new ATOM 269 N TYR A 21 4.773 9.235 2.180 1.00 0.00 N ATOM 270 CA TYR A 21 4.030 8.596 1.100 1.00 0.00 C ATOM 271 C TYR A 21 2.527 8.770 1.295 1.00 0.00 C ATOM 272 O TYR A 21 2.078 9.289 2.316 1.00 0.00 O ATOM 273 CB TYR A 21 4.377 7.109 1.024 1.00 0.00 C ATOM 274 CG TYR A 21 5.826 6.841 0.686 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.306 7.035 -0.604 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.716 6.394 1.655 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.629 6.791 -0.918 1.00 0.00 C ATOM 278 CE2 TYR A 21 8.041 6.149 1.350 1.00 0.00 C ATOM 279 CZ TYR A 21 8.493 6.349 0.063 1.00 0.00 C ATOM 280 OH TYR A 21 9.811 6.105 -0.245 1.00 0.00 O ATOM 0 H TYR A 21 5.456 8.631 2.637 1.00 0.00 H new ATOM 0 HA TYR A 21 4.314 9.077 0.164 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.143 6.641 1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.744 6.635 0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.633 7.382 -1.374 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.366 6.235 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.985 6.945 -1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.719 5.803 2.116 1.00 0.00 H new ATOM 0 HH TYR A 21 10.284 5.801 0.558 1.00 0.00 H new ATOM 290 N GLY A 22 1.754 8.331 0.306 1.00 0.00 N ATOM 291 CA GLY A 22 0.310 8.446 0.387 1.00 0.00 C ATOM 292 C GLY A 22 -0.364 7.114 0.651 1.00 0.00 C ATOM 293 O GLY A 22 -1.445 6.842 0.128 1.00 0.00 O ATOM 0 H GLY A 22 2.102 7.898 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.048 9.146 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.071 8.864 -0.545 1.00 0.00 H new ATOM 297 N PHE A 23 0.276 6.279 1.464 1.00 0.00 N ATOM 298 CA PHE A 23 -0.267 4.967 1.794 1.00 0.00 C ATOM 299 C PHE A 23 0.090 4.575 3.225 1.00 0.00 C ATOM 300 O PHE A 23 0.987 5.158 3.834 1.00 0.00 O ATOM 301 CB PHE A 23 0.261 3.913 0.818 1.00 0.00 C ATOM 302 CG PHE A 23 1.744 3.699 0.911 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.276 2.843 1.862 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.608 4.355 0.048 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.641 2.644 1.950 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.973 4.159 0.131 1.00 0.00 C ATOM 307 CZ PHE A 23 4.491 3.304 1.084 1.00 0.00 C ATOM 0 H PHE A 23 1.171 6.488 1.906 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.353 5.019 1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.247 2.967 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.008 4.212 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.616 2.325 2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.210 5.027 -0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.043 1.973 2.695 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.635 4.674 -0.549 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.558 3.152 1.152 1.00 0.00 H new ATOM 317 N SER A 24 -0.620 3.584 3.755 1.00 0.00 N ATOM 318 CA SER A 24 -0.382 3.116 5.116 1.00 0.00 C ATOM 319 C SER A 24 -0.184 1.604 5.144 1.00 0.00 C ATOM 320 O SER A 24 -0.573 0.898 4.212 1.00 0.00 O ATOM 321 CB SER A 24 -1.550 3.507 6.023 1.00 0.00 C ATOM 322 OG SER A 24 -1.664 4.915 6.131 1.00 0.00 O ATOM 0 H SER A 24 -1.364 3.090 3.263 1.00 0.00 H new ATOM 0 HA SER A 24 0.528 3.590 5.483 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.477 3.094 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.406 3.074 7.013 1.00 0.00 H new ATOM 0 HG SER A 24 -2.310 5.138 6.833 1.00 0.00 H new ATOM 328 N LEU A 25 0.422 1.112 6.219 1.00 0.00 N ATOM 329 CA LEU A 25 0.672 -0.317 6.370 1.00 0.00 C ATOM 330 C LEU A 25 0.251 -0.800 7.754 1.00 0.00 C ATOM 331 O LEU A 25 0.521 -0.145 8.761 1.00 0.00 O ATOM 332 CB LEU A 25 2.153 -0.623 6.139 1.00 0.00 C ATOM 333 CG LEU A 25 2.706 -0.262 4.760 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.221 -0.385 4.744 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.085 -1.147 3.689 1.00 0.00 C ATOM 0 H LEU A 25 0.749 1.682 6.999 1.00 0.00 H new ATOM 0 HA LEU A 25 0.078 -0.846 5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.735 -0.092 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.313 -1.688 6.305 1.00 0.00 H new ATOM 0 HG LEU A 25 2.444 0.774 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.597 -0.124 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.649 0.291 5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.505 -1.410 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.490 -0.876 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.316 -2.191 3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.004 -1.008 3.684 1.00 0.00 H new ATOM 347 N LYS A 26 -0.411 -1.951 7.798 1.00 0.00 N ATOM 348 CA LYS A 26 -0.867 -2.525 9.058 1.00 0.00 C ATOM 349 C LYS A 26 -0.973 -4.044 8.957 1.00 0.00 C ATOM 350 O LYS A 26 -1.346 -4.583 7.915 1.00 0.00 O ATOM 351 CB LYS A 26 -2.222 -1.934 9.451 1.00 0.00 C ATOM 352 CG LYS A 26 -3.296 -2.118 8.392 1.00 0.00 C ATOM 353 CD LYS A 26 -4.672 -1.757 8.926 1.00 0.00 C ATOM 354 CE LYS A 26 -5.352 -2.955 9.570 1.00 0.00 C ATOM 355 NZ LYS A 26 -4.898 -3.163 10.973 1.00 0.00 N ATOM 0 H LYS A 26 -0.644 -2.505 6.974 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.134 -2.279 9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.556 -2.398 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.100 -0.870 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.066 -1.496 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.297 -3.153 8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.581 -0.953 9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.292 -1.379 8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.432 -2.810 9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.142 -3.850 8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.660 -3.609 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.060 -3.779 10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.656 -2.246 11.399 1.00 0.00 H new ATOM 369 N THR A 27 -0.643 -4.729 10.048 1.00 0.00 N ATOM 370 CA THR A 27 -0.701 -6.185 10.082 1.00 0.00 C ATOM 371 C THR A 27 -1.969 -6.668 10.778 1.00 0.00 C ATOM 372 O THR A 27 -2.276 -6.247 11.893 1.00 0.00 O ATOM 373 CB THR A 27 0.524 -6.780 10.802 1.00 0.00 C ATOM 374 OG1 THR A 27 0.516 -6.395 12.181 1.00 0.00 O ATOM 375 CG2 THR A 27 1.815 -6.313 10.147 1.00 0.00 C ATOM 0 H THR A 27 -0.333 -4.299 10.919 1.00 0.00 H new ATOM 0 HA THR A 27 -0.705 -6.525 9.047 1.00 0.00 H new ATOM 0 HB THR A 27 0.470 -7.866 10.728 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.394 -6.145 12.445 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.667 -6.746 10.672 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.831 -6.633 9.105 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.874 -5.226 10.194 1.00 0.00 H new ATOM 383 N VAL A 28 -2.702 -7.555 10.112 1.00 0.00 N ATOM 384 CA VAL A 28 -3.936 -8.097 10.668 1.00 0.00 C ATOM 385 C VAL A 28 -3.682 -9.418 11.386 1.00 0.00 C ATOM 386 O VAL A 28 -3.206 -10.380 10.785 1.00 0.00 O ATOM 387 CB VAL A 28 -4.996 -8.317 9.572 1.00 0.00 C ATOM 388 CG1 VAL A 28 -6.316 -8.758 10.186 1.00 0.00 C ATOM 389 CG2 VAL A 28 -5.178 -7.052 8.747 1.00 0.00 C ATOM 0 H VAL A 28 -2.463 -7.913 9.187 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.310 -7.364 11.383 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.649 -9.110 8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.052 -8.908 9.396 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.171 -9.692 10.729 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.672 -7.990 10.873 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.930 -7.225 7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.503 -6.238 9.395 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.232 -6.785 8.276 1.00 0.00 H new ATOM 467 N GLY A 33 1.922 -11.240 6.547 1.00 0.00 N ATOM 468 CA GLY A 33 2.462 -10.130 5.784 1.00 0.00 C ATOM 469 C GLY A 33 1.676 -8.850 5.987 1.00 0.00 C ATOM 470 O GLY A 33 0.760 -8.799 6.808 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.500 -9.965 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.463 -10.388 4.725 1.00 0.00 H new ATOM 474 N VAL A 34 2.035 -7.812 5.239 1.00 0.00 N ATOM 475 CA VAL A 34 1.357 -6.525 5.341 1.00 0.00 C ATOM 476 C VAL A 34 0.684 -6.152 4.025 1.00 0.00 C ATOM 477 O VAL A 34 0.980 -6.730 2.979 1.00 0.00 O ATOM 478 CB VAL A 34 2.336 -5.405 5.739 1.00 0.00 C ATOM 479 CG1 VAL A 34 3.237 -5.041 4.568 1.00 0.00 C ATOM 480 CG2 VAL A 34 1.576 -4.185 6.237 1.00 0.00 C ATOM 0 H VAL A 34 2.792 -7.837 4.555 1.00 0.00 H new ATOM 0 HA VAL A 34 0.599 -6.628 6.117 1.00 0.00 H new ATOM 0 HB VAL A 34 2.966 -5.769 6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.922 -4.248 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.808 -5.917 4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.627 -4.696 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.284 -3.404 6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.920 -3.818 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.979 -4.458 7.107 1.00 0.00 H new ATOM 490 N TYR A 35 -0.222 -5.182 4.084 1.00 0.00 N ATOM 491 CA TYR A 35 -0.939 -4.733 2.897 1.00 0.00 C ATOM 492 C TYR A 35 -1.462 -3.312 3.081 1.00 0.00 C ATOM 493 O TYR A 35 -1.764 -2.890 4.197 1.00 0.00 O ATOM 494 CB TYR A 35 -2.100 -5.679 2.588 1.00 0.00 C ATOM 495 CG TYR A 35 -3.188 -5.666 3.639 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.960 -4.532 3.854 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.443 -6.790 4.416 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.954 -4.516 4.813 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.436 -6.783 5.377 1.00 0.00 C ATOM 500 CZ TYR A 35 -5.188 -5.643 5.572 1.00 0.00 C ATOM 501 OH TYR A 35 -6.178 -5.632 6.527 1.00 0.00 O ATOM 0 H TYR A 35 -0.477 -4.692 4.941 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.242 -4.739 2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.533 -5.407 1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.714 -6.694 2.489 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.780 -3.647 3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.855 -7.684 4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.545 -3.625 4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.622 -7.665 5.972 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.841 -6.323 6.319 1.00 0.00 H new ATOM 511 N MET A 36 -1.566 -2.578 1.978 1.00 0.00 N ATOM 512 CA MET A 36 -2.054 -1.205 2.017 1.00 0.00 C ATOM 513 C MET A 36 -3.482 -1.150 2.549 1.00 0.00 C ATOM 514 O MET A 36 -4.362 -1.869 2.074 1.00 0.00 O ATOM 515 CB MET A 36 -1.993 -0.580 0.622 1.00 0.00 C ATOM 516 CG MET A 36 -0.604 -0.603 0.005 1.00 0.00 C ATOM 517 SD MET A 36 0.553 0.484 0.860 1.00 0.00 S ATOM 518 CE MET A 36 2.000 0.327 -0.184 1.00 0.00 C ATOM 0 H MET A 36 -1.319 -2.911 1.046 1.00 0.00 H new ATOM 0 HA MET A 36 -1.412 -0.637 2.691 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.682 -1.110 -0.035 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.339 0.452 0.680 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.219 -1.623 0.023 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.670 -0.306 -1.042 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.844 -0.016 0.414 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.800 -0.393 -0.977 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.237 1.295 -0.625 1.00 0.00 H new ATOM 528 N THR A 37 -3.707 -0.293 3.540 1.00 0.00 N ATOM 529 CA THR A 37 -5.028 -0.146 4.139 1.00 0.00 C ATOM 530 C THR A 37 -5.568 1.266 3.940 1.00 0.00 C ATOM 531 O THR A 37 -6.740 1.452 3.612 1.00 0.00 O ATOM 532 CB THR A 37 -5.001 -0.466 5.645 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.319 -0.350 6.194 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.056 0.473 6.381 1.00 0.00 C ATOM 0 H THR A 37 -2.991 0.310 3.945 1.00 0.00 H new ATOM 0 HA THR A 37 -5.684 -0.857 3.636 1.00 0.00 H new ATOM 0 HB THR A 37 -4.644 -1.488 5.770 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.290 0.209 6.998 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.054 0.228 7.443 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.048 0.362 5.981 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.389 1.502 6.247 1.00 0.00 H new ATOM 542 N ASP A 38 -4.706 2.257 4.138 1.00 0.00 N ATOM 543 CA ASP A 38 -5.096 3.653 3.979 1.00 0.00 C ATOM 544 C ASP A 38 -4.406 4.275 2.769 1.00 0.00 C ATOM 545 O ASP A 38 -3.187 4.447 2.757 1.00 0.00 O ATOM 546 CB ASP A 38 -4.754 4.448 5.240 1.00 0.00 C ATOM 547 CG ASP A 38 -5.656 5.651 5.429 1.00 0.00 C ATOM 548 OD1 ASP A 38 -5.761 6.467 4.490 1.00 0.00 O ATOM 549 OD2 ASP A 38 -6.258 5.776 6.516 1.00 0.00 O ATOM 0 H ASP A 38 -3.732 2.120 4.409 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.174 3.687 3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.836 3.796 6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.717 4.780 5.186 1.00 0.00 H new ATOM 554 N ILE A 39 -5.194 4.609 1.752 1.00 0.00 N ATOM 555 CA ILE A 39 -4.660 5.211 0.537 1.00 0.00 C ATOM 556 C ILE A 39 -5.092 6.668 0.410 1.00 0.00 C ATOM 557 O ILE A 39 -6.200 6.962 -0.040 1.00 0.00 O ATOM 558 CB ILE A 39 -5.110 4.442 -0.718 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.732 2.964 -0.601 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.491 5.055 -1.966 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.243 2.729 -0.481 1.00 0.00 C ATOM 0 H ILE A 39 -6.205 4.473 1.746 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.574 5.162 0.612 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.194 4.515 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.230 2.538 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.106 2.431 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.819 4.500 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.806 6.095 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.404 5.010 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.049 1.659 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.740 3.125 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.866 3.233 0.409 1.00 0.00 H new ATOM 573 N THR A 40 -4.209 7.579 0.807 1.00 0.00 N ATOM 574 CA THR A 40 -4.498 9.006 0.736 1.00 0.00 C ATOM 575 C THR A 40 -4.973 9.402 -0.657 1.00 0.00 C ATOM 576 O THR A 40 -4.316 9.132 -1.663 1.00 0.00 O ATOM 577 CB THR A 40 -3.263 9.848 1.105 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.861 9.566 2.450 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.557 11.333 0.960 1.00 0.00 C ATOM 0 H THR A 40 -3.287 7.354 1.181 1.00 0.00 H new ATOM 0 HA THR A 40 -5.291 9.204 1.457 1.00 0.00 H new ATOM 0 HB THR A 40 -2.455 9.585 0.422 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.074 10.104 2.676 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.670 11.907 1.226 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.834 11.550 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.379 11.608 1.621 1.00 0.00 H new ATOM 587 N PRO A 41 -6.140 10.060 -0.720 1.00 0.00 N ATOM 588 CA PRO A 41 -6.727 10.509 -1.986 1.00 0.00 C ATOM 589 C PRO A 41 -5.938 11.650 -2.619 1.00 0.00 C ATOM 590 O PRO A 41 -5.570 12.611 -1.943 1.00 0.00 O ATOM 591 CB PRO A 41 -8.124 10.987 -1.579 1.00 0.00 C ATOM 592 CG PRO A 41 -7.993 11.358 -0.142 1.00 0.00 C ATOM 593 CD PRO A 41 -6.976 10.416 0.438 1.00 0.00 C ATOM 0 HA PRO A 41 -6.733 9.718 -2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.442 11.839 -2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.867 10.202 -1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.671 12.394 -0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.949 11.266 0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.391 10.892 1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.447 9.537 0.878 1.00 0.00 H new ATOM 601 N GLN A 42 -5.682 11.538 -3.918 1.00 0.00 N ATOM 602 CA GLN A 42 -4.936 12.561 -4.641 1.00 0.00 C ATOM 603 C GLN A 42 -3.543 12.739 -4.048 1.00 0.00 C ATOM 604 O GLN A 42 -3.044 13.858 -3.936 1.00 0.00 O ATOM 605 CB GLN A 42 -5.691 13.891 -4.609 1.00 0.00 C ATOM 606 CG GLN A 42 -7.108 13.799 -5.154 1.00 0.00 C ATOM 607 CD GLN A 42 -7.726 15.161 -5.402 1.00 0.00 C ATOM 608 OE1 GLN A 42 -7.448 16.122 -4.685 1.00 0.00 O ATOM 609 NE2 GLN A 42 -8.572 15.250 -6.422 1.00 0.00 N ATOM 0 H GLN A 42 -5.980 10.749 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.832 12.236 -5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.728 14.254 -3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.135 14.629 -5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.099 13.233 -6.085 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.729 13.245 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.774 14.428 -6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.020 16.141 -6.637 1.00 0.00 H new ATOM 618 N GLY A 43 -2.919 11.628 -3.668 1.00 0.00 N ATOM 619 CA GLY A 43 -1.589 11.684 -3.090 1.00 0.00 C ATOM 620 C GLY A 43 -0.550 11.003 -3.959 1.00 0.00 C ATOM 621 O GLY A 43 -0.730 10.876 -5.170 1.00 0.00 O ATOM 0 H GLY A 43 -3.311 10.690 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.305 12.726 -2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.603 11.212 -2.108 1.00 0.00 H new ATOM 625 N VAL A 44 0.542 10.565 -3.340 1.00 0.00 N ATOM 626 CA VAL A 44 1.614 9.895 -4.065 1.00 0.00 C ATOM 627 C VAL A 44 1.189 8.499 -4.509 1.00 0.00 C ATOM 628 O VAL A 44 1.507 8.065 -5.615 1.00 0.00 O ATOM 629 CB VAL A 44 2.887 9.782 -3.206 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.991 9.073 -3.976 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.345 11.159 -2.749 1.00 0.00 C ATOM 0 H VAL A 44 0.707 10.662 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 44 1.830 10.503 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 44 2.655 9.189 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.882 9.003 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.659 8.071 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.224 9.636 -4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.246 11.060 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.559 11.779 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.558 11.626 -2.156 1.00 0.00 H new ATOM 641 N ALA A 45 0.466 7.802 -3.638 1.00 0.00 N ATOM 642 CA ALA A 45 -0.006 6.457 -3.941 1.00 0.00 C ATOM 643 C ALA A 45 -1.172 6.492 -4.923 1.00 0.00 C ATOM 644 O ALA A 45 -1.101 5.914 -6.007 1.00 0.00 O ATOM 645 CB ALA A 45 -0.411 5.739 -2.662 1.00 0.00 C ATOM 0 H ALA A 45 0.195 8.147 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 45 0.812 5.909 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.762 4.736 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.448 5.672 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.210 6.294 -2.171 1.00 0.00 H new ATOM 651 N MET A 46 -2.246 7.174 -4.535 1.00 0.00 N ATOM 652 CA MET A 46 -3.427 7.284 -5.382 1.00 0.00 C ATOM 653 C MET A 46 -3.043 7.689 -6.801 1.00 0.00 C ATOM 654 O MET A 46 -3.790 7.446 -7.749 1.00 0.00 O ATOM 655 CB MET A 46 -4.407 8.303 -4.796 1.00 0.00 C ATOM 656 CG MET A 46 -5.819 8.174 -5.345 1.00 0.00 C ATOM 657 SD MET A 46 -6.498 6.517 -5.132 1.00 0.00 S ATOM 658 CE MET A 46 -7.625 6.786 -3.766 1.00 0.00 C ATOM 0 H MET A 46 -2.322 7.658 -3.640 1.00 0.00 H new ATOM 0 HA MET A 46 -3.908 6.307 -5.420 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.435 8.186 -3.713 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.038 9.308 -4.999 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.466 8.895 -4.845 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.817 8.428 -6.405 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.123 5.850 -3.516 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.068 7.143 -2.900 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.370 7.529 -4.050 1.00 0.00 H new ATOM 668 N ARG A 47 -1.875 8.306 -6.940 1.00 0.00 N ATOM 669 CA ARG A 47 -1.393 8.746 -8.244 1.00 0.00 C ATOM 670 C ARG A 47 -0.721 7.597 -8.991 1.00 0.00 C ATOM 671 O ARG A 47 -0.919 7.426 -10.193 1.00 0.00 O ATOM 672 CB ARG A 47 -0.410 9.907 -8.083 1.00 0.00 C ATOM 673 CG ARG A 47 -0.057 10.592 -9.394 1.00 0.00 C ATOM 674 CD ARG A 47 1.104 9.899 -10.089 1.00 0.00 C ATOM 675 NE ARG A 47 1.692 10.732 -11.135 1.00 0.00 N ATOM 676 CZ ARG A 47 2.546 10.276 -12.044 1.00 0.00 C ATOM 677 NH1 ARG A 47 2.910 9.001 -12.036 1.00 0.00 N ATOM 678 NH2 ARG A 47 3.037 11.096 -12.965 1.00 0.00 N ATOM 0 H ARG A 47 -1.244 8.513 -6.166 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.251 9.083 -8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.838 10.643 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.504 9.537 -7.619 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.927 10.594 -10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.201 11.634 -9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.868 9.647 -9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.759 8.961 -10.524 1.00 0.00 H new ATOM 0 HE ARG A 47 1.432 11.718 -11.169 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.534 8.368 -11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.566 8.654 -12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.758 12.077 -12.975 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.693 10.745 -13.663 1.00 0.00 H new ATOM 692 N ALA A 48 0.073 6.813 -8.269 1.00 0.00 N ATOM 693 CA ALA A 48 0.772 5.680 -8.863 1.00 0.00 C ATOM 694 C ALA A 48 -0.212 4.616 -9.339 1.00 0.00 C ATOM 695 O ALA A 48 0.091 3.837 -10.242 1.00 0.00 O ATOM 696 CB ALA A 48 1.754 5.084 -7.865 1.00 0.00 C ATOM 0 H ALA A 48 0.248 6.942 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 48 1.325 6.040 -9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.269 4.239 -8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.484 5.841 -7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.214 4.745 -6.981 1.00 0.00 H new ATOM 702 N GLY A 49 -1.391 4.590 -8.726 1.00 0.00 N ATOM 703 CA GLY A 49 -2.400 3.617 -9.101 1.00 0.00 C ATOM 704 C GLY A 49 -2.481 2.459 -8.126 1.00 0.00 C ATOM 705 O GLY A 49 -2.675 1.312 -8.528 1.00 0.00 O ATOM 0 H GLY A 49 -1.665 5.225 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.371 4.109 -9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.178 3.234 -10.097 1.00 0.00 H new ATOM 709 N VAL A 50 -2.330 2.759 -6.840 1.00 0.00 N ATOM 710 CA VAL A 50 -2.385 1.734 -5.804 1.00 0.00 C ATOM 711 C VAL A 50 -3.657 1.862 -4.972 1.00 0.00 C ATOM 712 O VAL A 50 -3.969 2.937 -4.457 1.00 0.00 O ATOM 713 CB VAL A 50 -1.163 1.813 -4.870 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.026 3.211 -4.287 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.271 0.774 -3.764 1.00 0.00 C ATOM 0 H VAL A 50 -2.169 3.704 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.382 0.770 -6.312 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.267 1.599 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.157 3.248 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.900 3.932 -5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.922 3.457 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.399 0.844 -3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.174 0.955 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.317 -0.222 -4.204 1.00 0.00 H new ATOM 725 N LEU A 51 -4.386 0.760 -4.844 1.00 0.00 N ATOM 726 CA LEU A 51 -5.625 0.747 -4.073 1.00 0.00 C ATOM 727 C LEU A 51 -5.391 0.182 -2.676 1.00 0.00 C ATOM 728 O LEU A 51 -4.386 -0.482 -2.424 1.00 0.00 O ATOM 729 CB LEU A 51 -6.691 -0.076 -4.797 1.00 0.00 C ATOM 730 CG LEU A 51 -7.507 0.665 -5.857 1.00 0.00 C ATOM 731 CD1 LEU A 51 -8.234 -0.322 -6.757 1.00 0.00 C ATOM 732 CD2 LEU A 51 -8.494 1.619 -5.200 1.00 0.00 C ATOM 0 H LEU A 51 -4.141 -0.137 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.974 1.775 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.203 -0.927 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.379 -0.477 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.823 1.250 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.809 0.223 -7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.507 -0.964 -7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.907 -0.934 -6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.066 2.138 -5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.174 1.056 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.950 2.348 -4.599 1.00 0.00 H new ATOM 744 N ALA A 52 -6.328 0.448 -1.771 1.00 0.00 N ATOM 745 CA ALA A 52 -6.226 -0.037 -0.401 1.00 0.00 C ATOM 746 C ALA A 52 -6.480 -1.539 -0.330 1.00 0.00 C ATOM 747 O ALA A 52 -6.661 -2.196 -1.355 1.00 0.00 O ATOM 748 CB ALA A 52 -7.203 0.708 0.497 1.00 0.00 C ATOM 0 H ALA A 52 -7.166 0.997 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.211 0.151 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.116 0.335 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.974 1.773 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.220 0.550 0.139 1.00 0.00 H new ATOM 754 N ASP A 53 -6.490 -2.076 0.885 1.00 0.00 N ATOM 755 CA ASP A 53 -6.722 -3.502 1.089 1.00 0.00 C ATOM 756 C ASP A 53 -6.027 -4.325 0.009 1.00 0.00 C ATOM 757 O ASP A 53 -6.502 -5.396 -0.371 1.00 0.00 O ATOM 758 CB ASP A 53 -8.222 -3.801 1.089 1.00 0.00 C ATOM 759 CG ASP A 53 -9.005 -2.839 0.218 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.955 -2.986 -1.021 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.667 -1.937 0.775 1.00 0.00 O ATOM 0 H ASP A 53 -6.340 -1.546 1.744 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.304 -3.779 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.386 -4.820 0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.599 -3.751 2.110 1.00 0.00 H new ATOM 766 N ASP A 54 -4.901 -3.818 -0.482 1.00 0.00 N ATOM 767 CA ASP A 54 -4.140 -4.507 -1.518 1.00 0.00 C ATOM 768 C ASP A 54 -3.010 -5.329 -0.906 1.00 0.00 C ATOM 769 O ASP A 54 -2.019 -4.779 -0.425 1.00 0.00 O ATOM 770 CB ASP A 54 -3.572 -3.499 -2.518 1.00 0.00 C ATOM 771 CG ASP A 54 -4.528 -3.213 -3.659 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.748 -3.396 -3.470 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.056 -2.807 -4.742 1.00 0.00 O ATOM 0 H ASP A 54 -4.495 -2.933 -0.179 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.815 -5.185 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.341 -2.568 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.634 -3.881 -2.921 1.00 0.00 H new ATOM 778 N HIS A 55 -3.166 -6.649 -0.928 1.00 0.00 N ATOM 779 CA HIS A 55 -2.159 -7.547 -0.375 1.00 0.00 C ATOM 780 C HIS A 55 -0.780 -7.236 -0.950 1.00 0.00 C ATOM 781 O HIS A 55 -0.509 -7.503 -2.121 1.00 0.00 O ATOM 782 CB HIS A 55 -2.528 -9.002 -0.664 1.00 0.00 C ATOM 783 CG HIS A 55 -1.902 -9.979 0.283 1.00 0.00 C ATOM 784 ND1 HIS A 55 -2.302 -11.294 0.381 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.896 -9.825 1.176 1.00 0.00 C ATOM 786 CE1 HIS A 55 -1.571 -11.908 1.294 1.00 0.00 C ATOM 787 NE2 HIS A 55 -0.710 -11.038 1.791 1.00 0.00 N ATOM 0 H HIS A 55 -3.980 -7.120 -1.323 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.127 -7.396 0.704 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.612 -9.109 -0.619 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.225 -9.250 -1.681 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.343 -8.917 1.368 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.662 -12.944 1.585 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -0.019 -11.236 2.515 1.00 0.00 H new ATOM 796 N LEU A 56 0.088 -6.670 -0.118 1.00 0.00 N ATOM 797 CA LEU A 56 1.439 -6.322 -0.544 1.00 0.00 C ATOM 798 C LEU A 56 2.172 -7.545 -1.085 1.00 0.00 C ATOM 799 O LEU A 56 2.216 -8.591 -0.437 1.00 0.00 O ATOM 800 CB LEU A 56 2.223 -5.718 0.623 1.00 0.00 C ATOM 801 CG LEU A 56 3.233 -4.628 0.261 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.588 -3.254 0.346 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.450 -4.705 1.171 1.00 0.00 C ATOM 0 H LEU A 56 -0.120 -6.443 0.854 1.00 0.00 H new ATOM 0 HA LEU A 56 1.363 -5.585 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.511 -5.303 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.754 -6.522 1.133 1.00 0.00 H new ATOM 0 HG LEU A 56 3.561 -4.790 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.321 -2.491 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.749 -3.203 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.231 -3.082 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.158 -3.922 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.139 -4.569 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.926 -5.679 1.060 1.00 0.00 H new ATOM 815 N ILE A 57 2.748 -7.406 -2.275 1.00 0.00 N ATOM 816 CA ILE A 57 3.481 -8.499 -2.901 1.00 0.00 C ATOM 817 C ILE A 57 4.981 -8.360 -2.664 1.00 0.00 C ATOM 818 O ILE A 57 5.642 -9.307 -2.238 1.00 0.00 O ATOM 819 CB ILE A 57 3.216 -8.559 -4.416 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.717 -8.699 -4.688 1.00 0.00 C ATOM 821 CG2 ILE A 57 3.983 -9.714 -5.042 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.151 -10.041 -4.279 1.00 0.00 C ATOM 0 H ILE A 57 2.721 -6.547 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 57 3.126 -9.422 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 57 3.563 -7.630 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.184 -7.911 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.533 -8.545 -5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.786 -9.744 -6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.051 -9.575 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.663 -10.652 -4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.084 -10.069 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.657 -10.833 -4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.303 -10.189 -3.210 1.00 0.00 H new ATOM 834 N GLU A 58 5.512 -7.173 -2.941 1.00 0.00 N ATOM 835 CA GLU A 58 6.934 -6.911 -2.757 1.00 0.00 C ATOM 836 C GLU A 58 7.210 -5.411 -2.708 1.00 0.00 C ATOM 837 O GLU A 58 6.302 -4.597 -2.876 1.00 0.00 O ATOM 838 CB GLU A 58 7.744 -7.553 -3.886 1.00 0.00 C ATOM 839 CG GLU A 58 7.401 -7.012 -5.264 1.00 0.00 C ATOM 840 CD GLU A 58 8.085 -7.780 -6.378 1.00 0.00 C ATOM 841 OE1 GLU A 58 9.334 -7.785 -6.415 1.00 0.00 O ATOM 842 OE2 GLU A 58 7.373 -8.376 -7.213 1.00 0.00 O ATOM 0 H GLU A 58 4.979 -6.378 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 58 7.237 -7.350 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.806 -7.394 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.576 -8.630 -3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.321 -7.054 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.690 -5.962 -5.321 1.00 0.00 H new ATOM 849 N VAL A 59 8.469 -5.054 -2.475 1.00 0.00 N ATOM 850 CA VAL A 59 8.865 -3.652 -2.404 1.00 0.00 C ATOM 851 C VAL A 59 10.276 -3.452 -2.944 1.00 0.00 C ATOM 852 O VAL A 59 11.232 -4.043 -2.445 1.00 0.00 O ATOM 853 CB VAL A 59 8.800 -3.123 -0.959 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.122 -1.637 -0.919 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.432 -3.398 -0.352 1.00 0.00 C ATOM 0 H VAL A 59 9.232 -5.716 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 59 8.161 -3.092 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 59 9.548 -3.648 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.071 -1.281 0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.126 -1.471 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.400 -1.092 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.404 -3.018 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.664 -2.902 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.247 -4.472 -0.344 1.00 0.00 H new ATOM 865 N ASN A 60 10.398 -2.614 -3.968 1.00 0.00 N ATOM 866 CA ASN A 60 11.694 -2.335 -4.577 1.00 0.00 C ATOM 867 C ASN A 60 12.305 -3.605 -5.162 1.00 0.00 C ATOM 868 O ASN A 60 13.523 -3.720 -5.286 1.00 0.00 O ATOM 869 CB ASN A 60 12.646 -1.726 -3.545 1.00 0.00 C ATOM 870 CG ASN A 60 11.918 -0.893 -2.508 1.00 0.00 C ATOM 871 OD1 ASN A 60 10.839 -0.360 -2.770 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.506 -0.777 -1.324 1.00 0.00 N ATOM 0 H ASN A 60 9.616 -2.116 -4.394 1.00 0.00 H new ATOM 0 HA ASN A 60 11.541 -1.621 -5.386 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.195 -2.524 -3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.381 -1.104 -4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.064 -0.229 -0.586 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.400 -1.236 -1.152 1.00 0.00 H new ATOM 879 N GLY A 61 11.448 -4.556 -5.522 1.00 0.00 N ATOM 880 CA GLY A 61 11.921 -5.804 -6.090 1.00 0.00 C ATOM 881 C GLY A 61 12.332 -6.805 -5.029 1.00 0.00 C ATOM 882 O GLY A 61 13.368 -7.458 -5.151 1.00 0.00 O ATOM 0 H GLY A 61 10.435 -4.484 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.136 -6.238 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.770 -5.603 -6.744 1.00 0.00 H new ATOM 886 N GLU A 62 11.519 -6.925 -3.984 1.00 0.00 N ATOM 887 CA GLU A 62 11.806 -7.853 -2.896 1.00 0.00 C ATOM 888 C GLU A 62 10.527 -8.522 -2.399 1.00 0.00 C ATOM 889 O GLU A 62 9.703 -7.894 -1.736 1.00 0.00 O ATOM 890 CB GLU A 62 12.493 -7.121 -1.741 1.00 0.00 C ATOM 891 CG GLU A 62 13.972 -6.865 -1.977 1.00 0.00 C ATOM 892 CD GLU A 62 14.220 -5.786 -3.012 1.00 0.00 C ATOM 893 OE1 GLU A 62 13.666 -4.678 -2.857 1.00 0.00 O ATOM 894 OE2 GLU A 62 14.967 -6.049 -3.978 1.00 0.00 O ATOM 0 H GLU A 62 10.657 -6.392 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 62 12.474 -8.625 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.990 -6.168 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.375 -7.707 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.441 -6.576 -1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.450 -7.790 -2.300 1.00 0.00 H new ATOM 901 N ASN A 63 10.370 -9.800 -2.727 1.00 0.00 N ATOM 902 CA ASN A 63 9.192 -10.555 -2.316 1.00 0.00 C ATOM 903 C ASN A 63 8.995 -10.476 -0.805 1.00 0.00 C ATOM 904 O ASN A 63 9.668 -11.171 -0.044 1.00 0.00 O ATOM 905 CB ASN A 63 9.320 -12.017 -2.750 1.00 0.00 C ATOM 906 CG ASN A 63 8.814 -12.248 -4.161 1.00 0.00 C ATOM 907 OD1 ASN A 63 9.599 -12.398 -5.097 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.496 -12.277 -4.319 1.00 0.00 N ATOM 0 H ASN A 63 11.043 -10.334 -3.276 1.00 0.00 H new ATOM 0 HA ASN A 63 8.321 -10.114 -2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.365 -12.322 -2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.762 -12.648 -2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.097 -12.428 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.883 -12.148 -3.514 1.00 0.00 H new ATOM 915 N VAL A 64 8.067 -9.625 -0.378 1.00 0.00 N ATOM 916 CA VAL A 64 7.780 -9.457 1.041 1.00 0.00 C ATOM 917 C VAL A 64 6.412 -10.027 1.397 1.00 0.00 C ATOM 918 O VAL A 64 5.857 -9.724 2.452 1.00 0.00 O ATOM 919 CB VAL A 64 7.827 -7.973 1.451 1.00 0.00 C ATOM 920 CG1 VAL A 64 9.188 -7.373 1.129 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.716 -7.195 0.763 1.00 0.00 C ATOM 0 H VAL A 64 7.502 -9.042 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 64 8.551 -10.002 1.586 1.00 0.00 H new ATOM 0 HB VAL A 64 7.673 -7.906 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.203 -6.324 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.962 -7.915 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.375 -7.450 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.764 -6.149 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.837 -7.267 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.750 -7.611 1.049 1.00 0.00 H new ATOM 931 N GLU A 65 5.873 -10.856 0.507 1.00 0.00 N ATOM 932 CA GLU A 65 4.568 -11.469 0.728 1.00 0.00 C ATOM 933 C GLU A 65 4.438 -11.968 2.164 1.00 0.00 C ATOM 934 O GLU A 65 3.413 -11.759 2.814 1.00 0.00 O ATOM 935 CB GLU A 65 4.353 -12.627 -0.248 1.00 0.00 C ATOM 936 CG GLU A 65 3.786 -12.196 -1.590 1.00 0.00 C ATOM 937 CD GLU A 65 3.119 -13.335 -2.335 1.00 0.00 C ATOM 938 OE1 GLU A 65 1.974 -13.685 -1.982 1.00 0.00 O ATOM 939 OE2 GLU A 65 3.743 -13.878 -3.272 1.00 0.00 O ATOM 0 H GLU A 65 6.319 -11.118 -0.372 1.00 0.00 H new ATOM 0 HA GLU A 65 3.804 -10.711 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.304 -13.135 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.678 -13.353 0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.062 -11.396 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.588 -11.786 -2.204 1.00 0.00 H new ATOM 946 N ASP A 66 5.482 -12.629 2.652 1.00 0.00 N ATOM 947 CA ASP A 66 5.485 -13.158 4.011 1.00 0.00 C ATOM 948 C ASP A 66 6.472 -12.394 4.889 1.00 0.00 C ATOM 949 O ASP A 66 7.213 -12.990 5.670 1.00 0.00 O ATOM 950 CB ASP A 66 5.838 -14.646 4.001 1.00 0.00 C ATOM 951 CG ASP A 66 7.208 -14.912 3.408 1.00 0.00 C ATOM 952 OD1 ASP A 66 7.299 -15.067 2.172 1.00 0.00 O ATOM 953 OD2 ASP A 66 8.189 -14.966 4.179 1.00 0.00 O ATOM 0 H ASP A 66 6.337 -12.811 2.127 1.00 0.00 H new ATOM 0 HA ASP A 66 4.485 -13.033 4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.805 -15.031 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.086 -15.191 3.430 1.00 0.00 H new ATOM 958 N ALA A 67 6.476 -11.072 4.754 1.00 0.00 N ATOM 959 CA ALA A 67 7.370 -10.227 5.535 1.00 0.00 C ATOM 960 C ALA A 67 6.590 -9.366 6.522 1.00 0.00 C ATOM 961 O ALA A 67 5.505 -8.875 6.209 1.00 0.00 O ATOM 962 CB ALA A 67 8.207 -9.351 4.614 1.00 0.00 C ATOM 0 H ALA A 67 5.870 -10.563 4.111 1.00 0.00 H new ATOM 0 HA ALA A 67 8.035 -10.875 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.870 -8.725 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.801 -9.982 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.550 -8.718 4.018 1.00 0.00 H new ATOM 968 N SER A 68 7.148 -9.188 7.715 1.00 0.00 N ATOM 969 CA SER A 68 6.501 -8.390 8.750 1.00 0.00 C ATOM 970 C SER A 68 6.593 -6.902 8.425 1.00 0.00 C ATOM 971 O SER A 68 7.454 -6.474 7.655 1.00 0.00 O ATOM 972 CB SER A 68 7.141 -8.666 10.112 1.00 0.00 C ATOM 973 OG SER A 68 6.202 -8.497 11.160 1.00 0.00 O ATOM 0 H SER A 68 8.047 -9.586 7.989 1.00 0.00 H new ATOM 0 HA SER A 68 5.449 -8.672 8.787 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.535 -9.682 10.133 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.985 -7.993 10.264 1.00 0.00 H new ATOM 0 HG SER A 68 6.567 -7.882 11.830 1.00 0.00 H new ATOM 979 N HIS A 69 5.698 -6.117 9.017 1.00 0.00 N ATOM 980 CA HIS A 69 5.677 -4.676 8.792 1.00 0.00 C ATOM 981 C HIS A 69 7.028 -4.053 9.131 1.00 0.00 C ATOM 982 O HIS A 69 7.401 -3.020 8.578 1.00 0.00 O ATOM 983 CB HIS A 69 4.577 -4.023 9.629 1.00 0.00 C ATOM 984 CG HIS A 69 4.348 -2.581 9.298 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.501 -1.768 10.021 1.00 0.00 N ATOM 986 CD2 HIS A 69 4.864 -1.805 8.316 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.503 -0.555 9.496 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.322 -0.552 8.460 1.00 0.00 N ATOM 0 H HIS A 69 4.978 -6.455 9.656 1.00 0.00 H new ATOM 0 HA HIS A 69 5.471 -4.502 7.736 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.647 -4.573 9.484 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.836 -4.108 10.684 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.958 -2.058 10.834 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.571 -2.114 7.560 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.932 0.289 9.853 1.00 0.00 H new ATOM 997 N GLU A 70 7.755 -4.690 10.044 1.00 0.00 N ATOM 998 CA GLU A 70 9.064 -4.196 10.457 1.00 0.00 C ATOM 999 C GLU A 70 10.098 -4.409 9.355 1.00 0.00 C ATOM 1000 O GLU A 70 11.031 -3.621 9.206 1.00 0.00 O ATOM 1001 CB GLU A 70 9.517 -4.898 11.739 1.00 0.00 C ATOM 1002 CG GLU A 70 8.619 -4.621 12.934 1.00 0.00 C ATOM 1003 CD GLU A 70 7.373 -5.484 12.940 1.00 0.00 C ATOM 1004 OE1 GLU A 70 7.511 -6.725 12.965 1.00 0.00 O ATOM 1005 OE2 GLU A 70 6.259 -4.920 12.919 1.00 0.00 O ATOM 0 H GLU A 70 7.460 -5.548 10.511 1.00 0.00 H new ATOM 0 HA GLU A 70 8.977 -3.126 10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.551 -5.973 11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.533 -4.582 11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.180 -4.793 13.853 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.329 -3.570 12.930 1.00 0.00 H new ATOM 1012 N GLU A 71 9.924 -5.480 8.587 1.00 0.00 N ATOM 1013 CA GLU A 71 10.843 -5.797 7.500 1.00 0.00 C ATOM 1014 C GLU A 71 10.643 -4.845 6.324 1.00 0.00 C ATOM 1015 O GLU A 71 11.601 -4.458 5.654 1.00 0.00 O ATOM 1016 CB GLU A 71 10.645 -7.243 7.041 1.00 0.00 C ATOM 1017 CG GLU A 71 11.204 -8.271 8.010 1.00 0.00 C ATOM 1018 CD GLU A 71 11.101 -7.827 9.456 1.00 0.00 C ATOM 1019 OE1 GLU A 71 11.932 -6.998 9.882 1.00 0.00 O ATOM 1020 OE2 GLU A 71 10.189 -8.307 10.161 1.00 0.00 O ATOM 0 H GLU A 71 9.156 -6.142 8.697 1.00 0.00 H new ATOM 0 HA GLU A 71 11.861 -5.678 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.580 -7.429 6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.121 -7.375 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.669 -9.212 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.249 -8.464 7.767 1.00 0.00 H new ATOM 1027 N VAL A 72 9.391 -4.473 6.078 1.00 0.00 N ATOM 1028 CA VAL A 72 9.064 -3.567 4.983 1.00 0.00 C ATOM 1029 C VAL A 72 9.435 -2.130 5.330 1.00 0.00 C ATOM 1030 O VAL A 72 10.249 -1.505 4.650 1.00 0.00 O ATOM 1031 CB VAL A 72 7.566 -3.629 4.632 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.232 -2.628 3.536 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.174 -5.039 4.215 1.00 0.00 C ATOM 0 H VAL A 72 8.586 -4.785 6.622 1.00 0.00 H new ATOM 0 HA VAL A 72 9.645 -3.891 4.120 1.00 0.00 H new ATOM 0 HB VAL A 72 6.992 -3.364 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.169 -2.686 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.474 -1.621 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.814 -2.858 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.112 -5.064 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.755 -5.335 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.374 -5.730 5.034 1.00 0.00 H new ATOM 1043 N VAL A 73 8.832 -1.609 6.394 1.00 0.00 N ATOM 1044 CA VAL A 73 9.099 -0.245 6.834 1.00 0.00 C ATOM 1045 C VAL A 73 10.568 0.116 6.642 1.00 0.00 C ATOM 1046 O VAL A 73 10.900 1.259 6.330 1.00 0.00 O ATOM 1047 CB VAL A 73 8.722 -0.048 8.314 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.473 -1.037 9.193 1.00 0.00 C ATOM 1049 CG2 VAL A 73 9.002 1.383 8.749 1.00 0.00 C ATOM 0 H VAL A 73 8.155 -2.112 6.968 1.00 0.00 H new ATOM 0 HA VAL A 73 8.483 0.412 6.220 1.00 0.00 H new ATOM 0 HB VAL A 73 7.654 -0.236 8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.194 -0.883 10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.218 -2.054 8.896 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.546 -0.884 9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.730 1.504 9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.062 1.601 8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.415 2.070 8.140 1.00 0.00 H new ATOM 1059 N GLU A 74 11.443 -0.867 6.831 1.00 0.00 N ATOM 1060 CA GLU A 74 12.877 -0.652 6.679 1.00 0.00 C ATOM 1061 C GLU A 74 13.271 -0.632 5.205 1.00 0.00 C ATOM 1062 O GLU A 74 13.982 0.266 4.752 1.00 0.00 O ATOM 1063 CB GLU A 74 13.659 -1.743 7.412 1.00 0.00 C ATOM 1064 CG GLU A 74 13.865 -1.456 8.890 1.00 0.00 C ATOM 1065 CD GLU A 74 14.435 -2.643 9.641 1.00 0.00 C ATOM 1066 OE1 GLU A 74 13.839 -3.738 9.564 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.479 -2.478 10.307 1.00 0.00 O ATOM 0 H GLU A 74 11.184 -1.819 7.089 1.00 0.00 H new ATOM 0 HA GLU A 74 13.121 0.316 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.131 -2.691 7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.632 -1.864 6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.536 -0.604 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.913 -1.171 9.337 1.00 0.00 H new ATOM 1074 N LYS A 75 12.805 -1.629 4.460 1.00 0.00 N ATOM 1075 CA LYS A 75 13.106 -1.727 3.037 1.00 0.00 C ATOM 1076 C LYS A 75 12.709 -0.448 2.307 1.00 0.00 C ATOM 1077 O LYS A 75 13.333 -0.068 1.316 1.00 0.00 O ATOM 1078 CB LYS A 75 12.378 -2.925 2.422 1.00 0.00 C ATOM 1079 CG LYS A 75 12.886 -4.267 2.921 1.00 0.00 C ATOM 1080 CD LYS A 75 11.808 -5.335 2.845 1.00 0.00 C ATOM 1081 CE LYS A 75 12.392 -6.729 3.015 1.00 0.00 C ATOM 1082 NZ LYS A 75 13.029 -7.221 1.762 1.00 0.00 N ATOM 0 H LYS A 75 12.217 -2.381 4.819 1.00 0.00 H new ATOM 0 HA LYS A 75 14.181 -1.868 2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.313 -2.844 2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.484 -2.886 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.747 -4.575 2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.229 -4.167 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.061 -5.155 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.295 -5.269 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.130 -6.718 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.604 -7.419 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.689 -8.181 1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.782 -6.588 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.062 -7.238 1.881 1.00 0.00 H new ATOM 1096 N VAL A 76 11.667 0.212 2.803 1.00 0.00 N ATOM 1097 CA VAL A 76 11.189 1.450 2.199 1.00 0.00 C ATOM 1098 C VAL A 76 12.161 2.596 2.451 1.00 0.00 C ATOM 1099 O VAL A 76 12.701 3.185 1.514 1.00 0.00 O ATOM 1100 CB VAL A 76 9.801 1.839 2.742 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.415 3.233 2.271 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.757 0.816 2.320 1.00 0.00 C ATOM 0 H VAL A 76 11.138 -0.090 3.621 1.00 0.00 H new ATOM 0 HA VAL A 76 11.115 1.271 1.126 1.00 0.00 H new ATOM 0 HB VAL A 76 9.846 1.849 3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.432 3.491 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.149 3.954 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.387 3.254 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.783 1.107 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.711 0.771 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.028 -0.164 2.713 1.00 0.00 H new ATOM 1112 N LYS A 77 12.382 2.908 3.724 1.00 0.00 N ATOM 1113 CA LYS A 77 13.292 3.984 4.102 1.00 0.00 C ATOM 1114 C LYS A 77 14.645 3.818 3.417 1.00 0.00 C ATOM 1115 O LYS A 77 15.152 4.746 2.788 1.00 0.00 O ATOM 1116 CB LYS A 77 13.477 4.013 5.620 1.00 0.00 C ATOM 1117 CG LYS A 77 12.172 4.129 6.390 1.00 0.00 C ATOM 1118 CD LYS A 77 12.264 3.454 7.749 1.00 0.00 C ATOM 1119 CE LYS A 77 13.107 4.268 8.719 1.00 0.00 C ATOM 1120 NZ LYS A 77 14.564 4.117 8.449 1.00 0.00 N ATOM 0 H LYS A 77 11.943 2.431 4.512 1.00 0.00 H new ATOM 0 HA LYS A 77 12.854 4.928 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.994 3.105 5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.120 4.853 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.919 5.181 6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.366 3.677 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.263 3.320 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.697 2.460 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.831 5.320 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.892 3.953 9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.084 4.105 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.732 3.226 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.894 4.915 7.869 1.00 0.00 H new ATOM 1134 N LYS A 78 15.224 2.628 3.542 1.00 0.00 N ATOM 1135 CA LYS A 78 16.516 2.339 2.933 1.00 0.00 C ATOM 1136 C LYS A 78 16.483 2.605 1.432 1.00 0.00 C ATOM 1137 O LYS A 78 17.405 3.205 0.878 1.00 0.00 O ATOM 1138 CB LYS A 78 16.912 0.883 3.195 1.00 0.00 C ATOM 1139 CG LYS A 78 17.200 0.585 4.656 1.00 0.00 C ATOM 1140 CD LYS A 78 17.856 -0.776 4.828 1.00 0.00 C ATOM 1141 CE LYS A 78 17.522 -1.388 6.179 1.00 0.00 C ATOM 1142 NZ LYS A 78 17.908 -2.824 6.248 1.00 0.00 N ATOM 0 H LYS A 78 14.818 1.849 4.060 1.00 0.00 H new ATOM 0 HA LYS A 78 17.257 2.998 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.110 0.230 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.795 0.643 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.851 1.358 5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.271 0.617 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.525 -1.444 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.937 -0.675 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.037 -0.835 6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.453 -1.290 6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.664 -3.204 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.398 -3.356 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.932 -2.916 6.093 1.00 0.00 H new ATOM 1156 N SER A 79 15.415 2.158 0.779 1.00 0.00 N ATOM 1157 CA SER A 79 15.263 2.347 -0.658 1.00 0.00 C ATOM 1158 C SER A 79 15.872 3.674 -1.100 1.00 0.00 C ATOM 1159 O SER A 79 16.569 3.745 -2.111 1.00 0.00 O ATOM 1160 CB SER A 79 13.784 2.298 -1.047 1.00 0.00 C ATOM 1161 OG SER A 79 13.624 1.882 -2.392 1.00 0.00 O ATOM 0 H SER A 79 14.642 1.662 1.223 1.00 0.00 H new ATOM 0 HA SER A 79 15.792 1.538 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.253 1.613 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.336 3.283 -0.912 1.00 0.00 H new ATOM 0 HG SER A 79 13.268 2.624 -2.924 1.00 0.00 H new ATOM 1167 N GLY A 80 15.603 4.726 -0.332 1.00 0.00 N ATOM 1168 CA GLY A 80 16.132 6.038 -0.658 1.00 0.00 C ATOM 1169 C GLY A 80 15.049 7.096 -0.736 1.00 0.00 C ATOM 1170 O GLY A 80 14.511 7.519 0.287 1.00 0.00 O ATOM 0 H GLY A 80 15.028 4.693 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.866 6.328 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.657 5.988 -1.612 1.00 0.00 H new ATOM 1174 N SER A 81 14.730 7.526 -1.952 1.00 0.00 N ATOM 1175 CA SER A 81 13.709 8.546 -2.159 1.00 0.00 C ATOM 1176 C SER A 81 12.473 7.950 -2.825 1.00 0.00 C ATOM 1177 O SER A 81 11.342 8.273 -2.462 1.00 0.00 O ATOM 1178 CB SER A 81 14.263 9.687 -3.014 1.00 0.00 C ATOM 1179 OG SER A 81 15.324 10.353 -2.350 1.00 0.00 O ATOM 0 H SER A 81 15.164 7.184 -2.809 1.00 0.00 H new ATOM 0 HA SER A 81 13.421 8.939 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.616 9.293 -3.967 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.467 10.397 -3.238 1.00 0.00 H new ATOM 0 HG SER A 81 15.662 11.077 -2.918 1.00 0.00 H new ATOM 1185 N ARG A 82 12.698 7.078 -3.803 1.00 0.00 N ATOM 1186 CA ARG A 82 11.604 6.437 -4.522 1.00 0.00 C ATOM 1187 C ARG A 82 11.502 4.960 -4.153 1.00 0.00 C ATOM 1188 O ARG A 82 12.484 4.344 -3.738 1.00 0.00 O ATOM 1189 CB ARG A 82 11.802 6.584 -6.032 1.00 0.00 C ATOM 1190 CG ARG A 82 12.138 8.001 -6.467 1.00 0.00 C ATOM 1191 CD ARG A 82 12.965 8.011 -7.743 1.00 0.00 C ATOM 1192 NE ARG A 82 12.130 7.901 -8.937 1.00 0.00 N ATOM 1193 CZ ARG A 82 11.305 8.858 -9.347 1.00 0.00 C ATOM 1194 NH1 ARG A 82 11.204 9.990 -8.662 1.00 0.00 N ATOM 1195 NH2 ARG A 82 10.578 8.685 -10.443 1.00 0.00 N ATOM 0 H ARG A 82 13.628 6.800 -4.115 1.00 0.00 H new ATOM 0 HA ARG A 82 10.676 6.930 -4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.601 5.916 -6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.894 6.262 -6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.217 8.562 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.687 8.506 -5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.547 8.932 -7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.676 7.185 -7.721 1.00 0.00 H new ATOM 0 HE ARG A 82 12.183 7.043 -9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.761 10.127 -7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.570 10.723 -8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.652 7.816 -10.972 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.945 9.421 -10.756 1.00 0.00 H new ATOM 1209 N VAL A 83 10.307 4.398 -4.305 1.00 0.00 N ATOM 1210 CA VAL A 83 10.077 2.994 -3.989 1.00 0.00 C ATOM 1211 C VAL A 83 9.109 2.358 -4.980 1.00 0.00 C ATOM 1212 O VAL A 83 8.320 3.050 -5.623 1.00 0.00 O ATOM 1213 CB VAL A 83 9.519 2.824 -2.563 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.651 2.773 -1.549 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.548 3.948 -2.234 1.00 0.00 C ATOM 0 H VAL A 83 9.483 4.894 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 83 11.043 2.493 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 83 8.977 1.880 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.237 2.653 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.305 1.931 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.224 3.699 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.163 3.812 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.064 4.906 -2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.720 3.932 -2.942 1.00 0.00 H new ATOM 1225 N MET A 84 9.175 1.036 -5.099 1.00 0.00 N ATOM 1226 CA MET A 84 8.302 0.307 -6.012 1.00 0.00 C ATOM 1227 C MET A 84 7.433 -0.690 -5.252 1.00 0.00 C ATOM 1228 O MET A 84 7.918 -1.716 -4.777 1.00 0.00 O ATOM 1229 CB MET A 84 9.132 -0.424 -7.069 1.00 0.00 C ATOM 1230 CG MET A 84 8.327 -1.415 -7.895 1.00 0.00 C ATOM 1231 SD MET A 84 9.363 -2.654 -8.697 1.00 0.00 S ATOM 1232 CE MET A 84 10.435 -1.611 -9.683 1.00 0.00 C ATOM 0 H MET A 84 9.823 0.448 -4.575 1.00 0.00 H new ATOM 0 HA MET A 84 7.650 1.027 -6.506 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.584 0.310 -7.736 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.948 -0.952 -6.577 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.602 -1.914 -7.252 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.761 -0.874 -8.653 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.025 -2.231 -10.358 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.831 -0.915 -10.265 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.102 -1.052 -9.027 1.00 0.00 H new ATOM 1242 N PHE A 85 6.145 -0.381 -5.142 1.00 0.00 N ATOM 1243 CA PHE A 85 5.208 -1.250 -4.439 1.00 0.00 C ATOM 1244 C PHE A 85 4.337 -2.022 -5.426 1.00 0.00 C ATOM 1245 O PHE A 85 3.679 -1.432 -6.284 1.00 0.00 O ATOM 1246 CB PHE A 85 4.325 -0.427 -3.498 1.00 0.00 C ATOM 1247 CG PHE A 85 5.100 0.319 -2.450 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.639 -0.348 -1.361 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.288 1.688 -2.552 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.353 0.336 -0.395 1.00 0.00 C ATOM 1251 CE2 PHE A 85 6.002 2.377 -1.590 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.533 1.701 -0.509 1.00 0.00 C ATOM 0 H PHE A 85 5.726 0.464 -5.530 1.00 0.00 H new ATOM 0 HA PHE A 85 5.784 -1.966 -3.853 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.746 0.285 -4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.612 -1.090 -3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.499 -1.415 -1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.872 2.223 -3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.770 -0.196 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.145 3.443 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.088 2.238 0.246 1.00 0.00 H new ATOM 1262 N LEU A 86 4.338 -3.344 -5.298 1.00 0.00 N ATOM 1263 CA LEU A 86 3.549 -4.199 -6.178 1.00 0.00 C ATOM 1264 C LEU A 86 2.441 -4.903 -5.402 1.00 0.00 C ATOM 1265 O LEU A 86 2.707 -5.660 -4.468 1.00 0.00 O ATOM 1266 CB LEU A 86 4.448 -5.232 -6.858 1.00 0.00 C ATOM 1267 CG LEU A 86 3.752 -6.203 -7.813 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.402 -5.507 -9.120 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.630 -7.418 -8.073 1.00 0.00 C ATOM 0 H LEU A 86 4.877 -3.847 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 86 3.090 -3.570 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.222 -4.702 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.950 -5.812 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 86 2.827 -6.542 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.908 -6.213 -9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.734 -4.669 -8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.313 -5.139 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.118 -8.098 -8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.572 -7.098 -8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.830 -7.930 -7.132 1.00 0.00 H new ATOM 1281 N LEU A 87 1.197 -4.652 -5.797 1.00 0.00 N ATOM 1282 CA LEU A 87 0.048 -5.264 -5.140 1.00 0.00 C ATOM 1283 C LEU A 87 -1.024 -5.641 -6.158 1.00 0.00 C ATOM 1284 O LEU A 87 -0.908 -5.326 -7.343 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.536 -4.310 -4.097 1.00 0.00 C ATOM 1286 CG LEU A 87 0.452 -3.343 -3.444 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.655 -2.116 -4.320 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.034 -2.938 -2.060 1.00 0.00 C ATOM 0 H LEU A 87 0.959 -4.029 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 87 0.386 -6.173 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.326 -3.726 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.004 -4.904 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 87 1.411 -3.850 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.361 -1.439 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.048 -2.422 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.299 -1.607 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.681 -2.250 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.005 -2.449 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.128 -3.825 -1.433 1.00 0.00 H new ATOM 1300 N VAL A 88 -2.069 -6.315 -5.688 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.164 -6.731 -6.556 1.00 0.00 C ATOM 1302 C VAL A 88 -4.481 -6.099 -6.121 1.00 0.00 C ATOM 1303 O VAL A 88 -4.631 -5.678 -4.974 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.321 -8.263 -6.566 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.447 -8.679 -7.500 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -2.013 -8.930 -6.966 1.00 0.00 C ATOM 0 H VAL A 88 -2.180 -6.585 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.917 -6.392 -7.562 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.577 -8.591 -5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.543 -9.765 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.382 -8.230 -7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.224 -8.340 -8.512 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.142 -10.012 -6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.725 -8.597 -7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.234 -8.659 -6.254 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.434 -6.036 -7.045 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.741 -5.457 -6.757 1.00 0.00 C ATOM 1318 C ASP A 89 -7.505 -6.312 -5.752 1.00 0.00 C ATOM 1319 O ASP A 89 -7.656 -7.521 -5.936 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.554 -5.312 -8.044 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.753 -4.682 -9.167 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -6.230 -3.565 -8.969 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -6.647 -5.307 -10.243 1.00 0.00 O ATOM 0 H ASP A 89 -5.326 -6.379 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.585 -4.470 -6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.907 -6.294 -8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.437 -4.704 -7.846 1.00 0.00 H new ATOM 1328 N LYS A 90 -7.986 -5.679 -4.687 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.735 -6.381 -3.652 1.00 0.00 C ATOM 1330 C LYS A 90 -9.852 -7.220 -4.263 1.00 0.00 C ATOM 1331 O LYS A 90 -10.378 -8.130 -3.622 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.321 -5.382 -2.652 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.506 -4.602 -3.195 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.475 -4.218 -2.090 1.00 0.00 C ATOM 1335 CE LYS A 90 -12.825 -3.798 -2.653 1.00 0.00 C ATOM 1336 NZ LYS A 90 -13.638 -4.971 -3.076 1.00 0.00 N ATOM 0 H LYS A 90 -7.870 -4.680 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.048 -7.048 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.630 -5.918 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.542 -4.681 -2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.151 -3.702 -3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.025 -5.201 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.609 -5.061 -1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.054 -3.401 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.372 -3.230 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.673 -3.135 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.642 -4.789 -2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.514 -5.129 -4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.327 -5.815 -2.555 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.208 -6.909 -5.505 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.263 -7.636 -6.202 1.00 0.00 C ATOM 1352 C GLU A 91 -10.770 -9.006 -6.656 1.00 0.00 C ATOM 1353 O GLU A 91 -11.343 -10.036 -6.299 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.756 -6.833 -7.407 1.00 0.00 C ATOM 1355 CG GLU A 91 -12.663 -5.672 -7.036 1.00 0.00 C ATOM 1356 CD GLU A 91 -14.063 -6.121 -6.667 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -14.246 -6.634 -5.543 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -14.977 -5.959 -7.502 1.00 0.00 O ATOM 0 H GLU A 91 -9.782 -6.159 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.091 -7.779 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.895 -6.450 -7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.292 -7.500 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.227 -5.129 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.717 -4.976 -7.873 1.00 0.00 H new