USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 434 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 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= -0.0466 (180deg=-0.4) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -137:sc= -0.194 (180deg=-0.78) USER MOD Single : A 83 TYR OH : rot -4:sc= 0.446 USER MOD Single : A 84 ASN : amide:sc= -0.0732 K(o=-0.073,f=-1.1) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00224 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -22:sc= 1.23 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= -0.0294 (180deg=-0.221) USER MOD Single : A 100 ASN : amide:sc= 0.833 K(o=0.83,f=0.21) USER MOD Single : A 103 ASN : amide:sc= -1.63! C(o=-1.6!,f=-4.1!) USER MOD Single : A 105 MET CE :methyl -164:sc= -0.0577 (180deg=-0.406) USER MOD Single : A 109 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0162) USER MOD Single : A 117 ASN : amide:sc= 0.173 X(o=0.17,f=0) USER MOD Single : A 118 THR OG1 : rot 21:sc= 0.313 USER MOD ----------------------------------------------------------------- ATOM 115 N VAL A 57 -6.779 7.944 -0.397 1.00 0.00 N ATOM 116 CA VAL A 57 -5.671 8.406 0.425 1.00 0.00 C ATOM 117 C VAL A 57 -4.774 9.338 -0.379 1.00 0.00 C ATOM 118 O VAL A 57 -4.375 9.009 -1.495 1.00 0.00 O ATOM 119 CB VAL A 57 -4.825 7.222 0.931 1.00 0.00 C ATOM 120 CG1 VAL A 57 -3.843 7.669 2.003 1.00 0.00 C ATOM 121 CG2 VAL A 57 -5.716 6.099 1.431 1.00 0.00 C ATOM 0 HA VAL A 57 -6.092 8.936 1.279 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.243 6.839 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.259 6.813 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.174 8.424 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.391 8.091 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.098 5.273 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.336 6.464 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.355 5.753 0.619 1.00 0.00 H new ATOM 131 N LEU A 58 -4.461 10.492 0.185 1.00 0.00 N ATOM 132 CA LEU A 58 -3.629 11.468 -0.499 1.00 0.00 C ATOM 133 C LEU A 58 -2.167 11.329 -0.078 1.00 0.00 C ATOM 134 O LEU A 58 -1.832 11.483 1.094 1.00 0.00 O ATOM 135 CB LEU A 58 -4.123 12.884 -0.200 1.00 0.00 C ATOM 136 CG LEU A 58 -3.373 14.002 -0.921 1.00 0.00 C ATOM 137 CD1 LEU A 58 -3.932 14.181 -2.320 1.00 0.00 C ATOM 138 CD2 LEU A 58 -3.459 15.300 -0.135 1.00 0.00 C ATOM 0 H LEU A 58 -4.770 10.776 1.115 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.699 11.282 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.178 12.947 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.054 13.056 0.874 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.321 13.727 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.392 14.980 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.817 13.253 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.989 14.439 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.918 16.083 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.504 15.591 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.017 15.158 0.851 1.00 0.00 H new ATOM 150 N TYR A 59 -1.309 11.029 -1.039 1.00 0.00 N ATOM 151 CA TYR A 59 0.122 10.951 -0.800 1.00 0.00 C ATOM 152 C TYR A 59 0.849 11.829 -1.825 1.00 0.00 C ATOM 153 O TYR A 59 0.612 11.716 -3.030 1.00 0.00 O ATOM 154 CB TYR A 59 0.608 9.485 -0.873 1.00 0.00 C ATOM 155 CG TYR A 59 1.088 9.060 -2.244 1.00 0.00 C ATOM 156 CD1 TYR A 59 0.193 8.858 -3.287 1.00 0.00 C ATOM 157 CD2 TYR A 59 2.444 8.909 -2.502 1.00 0.00 C ATOM 158 CE1 TYR A 59 0.640 8.523 -4.551 1.00 0.00 C ATOM 159 CE2 TYR A 59 2.895 8.565 -3.758 1.00 0.00 C ATOM 160 CZ TYR A 59 1.992 8.375 -4.779 1.00 0.00 C ATOM 161 OH TYR A 59 2.443 8.045 -6.034 1.00 0.00 O ATOM 0 H TYR A 59 -1.583 10.834 -2.002 1.00 0.00 H new ATOM 0 HA TYR A 59 0.345 11.317 0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.418 9.346 -0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.206 8.828 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.867 8.964 -3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.157 9.064 -1.705 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.066 8.378 -5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.953 8.445 -3.940 1.00 0.00 H new ATOM 0 HH TYR A 59 3.421 7.981 -6.024 1.00 0.00 H new ATOM 171 N GLU A 60 1.673 12.752 -1.336 1.00 0.00 N ATOM 172 CA GLU A 60 2.493 13.616 -2.199 1.00 0.00 C ATOM 173 C GLU A 60 1.652 14.412 -3.196 1.00 0.00 C ATOM 174 O GLU A 60 2.173 14.977 -4.156 1.00 0.00 O ATOM 175 CB GLU A 60 3.530 12.778 -2.934 1.00 0.00 C ATOM 176 CG GLU A 60 4.443 12.024 -1.990 1.00 0.00 C ATOM 177 CD GLU A 60 5.344 12.947 -1.194 1.00 0.00 C ATOM 178 OE1 GLU A 60 6.438 13.291 -1.688 1.00 0.00 O ATOM 179 OE2 GLU A 60 4.957 13.340 -0.074 1.00 0.00 O ATOM 0 H GLU A 60 1.795 12.926 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 60 2.994 14.340 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.022 12.068 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.129 13.426 -3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.840 11.429 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.056 11.327 -2.562 1.00 0.00 H new ATOM 186 N GLY A 61 0.354 14.454 -2.962 1.00 0.00 N ATOM 187 CA GLY A 61 -0.526 15.224 -3.814 1.00 0.00 C ATOM 188 C GLY A 61 -1.365 14.369 -4.744 1.00 0.00 C ATOM 189 O GLY A 61 -2.221 14.891 -5.460 1.00 0.00 O ATOM 0 H GLY A 61 -0.110 13.967 -2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.187 15.826 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.070 15.916 -4.408 1.00 0.00 H new ATOM 193 N LYS A 62 -1.124 13.065 -4.752 1.00 0.00 N ATOM 194 CA LYS A 62 -1.935 12.152 -5.545 1.00 0.00 C ATOM 195 C LYS A 62 -2.877 11.384 -4.637 1.00 0.00 C ATOM 196 O LYS A 62 -2.564 11.142 -3.476 1.00 0.00 O ATOM 197 CB LYS A 62 -1.066 11.159 -6.321 1.00 0.00 C ATOM 198 CG LYS A 62 -1.825 10.423 -7.413 1.00 0.00 C ATOM 199 CD LYS A 62 -0.913 9.537 -8.248 1.00 0.00 C ATOM 200 CE LYS A 62 0.071 10.357 -9.070 1.00 0.00 C ATOM 201 NZ LYS A 62 -0.620 11.316 -9.971 1.00 0.00 N ATOM 0 H LYS A 62 -0.377 12.617 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.502 12.746 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.227 11.692 -6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.648 10.432 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.608 9.813 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.319 11.147 -8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.364 8.860 -7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.516 8.919 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.736 10.903 -8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.695 9.688 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.037 11.629 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.442 10.852 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.939 12.140 -9.422 1.00 0.00 H new ATOM 215 N GLU A 63 -4.017 10.993 -5.167 1.00 0.00 N ATOM 216 CA GLU A 63 -4.983 10.233 -4.399 1.00 0.00 C ATOM 217 C GLU A 63 -5.047 8.798 -4.892 1.00 0.00 C ATOM 218 O GLU A 63 -5.222 8.540 -6.086 1.00 0.00 O ATOM 219 CB GLU A 63 -6.370 10.867 -4.463 1.00 0.00 C ATOM 220 CG GLU A 63 -6.501 12.116 -3.610 1.00 0.00 C ATOM 221 CD GLU A 63 -7.897 12.705 -3.639 1.00 0.00 C ATOM 222 OE1 GLU A 63 -8.244 13.360 -4.643 1.00 0.00 O ATOM 223 OE2 GLU A 63 -8.646 12.534 -2.654 1.00 0.00 O ATOM 0 H GLU A 63 -4.298 11.189 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.653 10.239 -3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.600 11.117 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.111 10.136 -4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.234 11.877 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.789 12.864 -3.958 1.00 0.00 H new ATOM 230 N PHE A 64 -4.891 7.875 -3.966 1.00 0.00 N ATOM 231 CA PHE A 64 -4.968 6.460 -4.263 1.00 0.00 C ATOM 232 C PHE A 64 -6.056 5.819 -3.423 1.00 0.00 C ATOM 233 O PHE A 64 -6.530 6.430 -2.478 1.00 0.00 O ATOM 234 CB PHE A 64 -3.622 5.791 -3.992 1.00 0.00 C ATOM 235 CG PHE A 64 -2.802 5.573 -5.234 1.00 0.00 C ATOM 236 CD1 PHE A 64 -3.064 4.503 -6.072 1.00 0.00 C ATOM 237 CD2 PHE A 64 -1.775 6.441 -5.565 1.00 0.00 C ATOM 238 CE1 PHE A 64 -2.317 4.300 -7.217 1.00 0.00 C ATOM 239 CE2 PHE A 64 -1.022 6.243 -6.708 1.00 0.00 C ATOM 240 CZ PHE A 64 -1.296 5.173 -7.535 1.00 0.00 C ATOM 0 H PHE A 64 -4.707 8.085 -2.985 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.212 6.329 -5.317 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.054 6.405 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.793 4.831 -3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.862 3.818 -5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.560 7.282 -4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.532 3.460 -7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.221 6.925 -6.953 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.712 5.019 -8.430 1.00 0.00 H new ATOM 250 N ASP A 65 -6.460 4.605 -3.771 1.00 0.00 N ATOM 251 CA ASP A 65 -7.508 3.912 -3.020 1.00 0.00 C ATOM 252 C ASP A 65 -7.116 3.805 -1.554 1.00 0.00 C ATOM 253 O ASP A 65 -7.747 4.401 -0.682 1.00 0.00 O ATOM 254 CB ASP A 65 -7.759 2.509 -3.592 1.00 0.00 C ATOM 255 CG ASP A 65 -8.632 2.518 -4.827 1.00 0.00 C ATOM 256 OD1 ASP A 65 -8.170 3.003 -5.876 1.00 0.00 O ATOM 257 OD2 ASP A 65 -9.775 2.025 -4.760 1.00 0.00 O ATOM 0 H ASP A 65 -6.084 4.080 -4.561 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.427 4.491 -3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.803 2.046 -3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.228 1.890 -2.827 1.00 0.00 H new ATOM 262 N TYR A 66 -6.057 3.059 -1.296 1.00 0.00 N ATOM 263 CA TYR A 66 -5.545 2.899 0.054 1.00 0.00 C ATOM 264 C TYR A 66 -4.027 2.886 0.032 1.00 0.00 C ATOM 265 O TYR A 66 -3.431 2.009 -0.579 1.00 0.00 O ATOM 266 CB TYR A 66 -6.061 1.596 0.670 1.00 0.00 C ATOM 267 CG TYR A 66 -7.564 1.551 0.839 1.00 0.00 C ATOM 268 CD1 TYR A 66 -8.177 2.148 1.933 1.00 0.00 C ATOM 269 CD2 TYR A 66 -8.371 0.918 -0.099 1.00 0.00 C ATOM 270 CE1 TYR A 66 -9.549 2.113 2.088 1.00 0.00 C ATOM 271 CE2 TYR A 66 -9.744 0.879 0.050 1.00 0.00 C ATOM 272 CZ TYR A 66 -10.327 1.480 1.143 1.00 0.00 C ATOM 273 OH TYR A 66 -11.695 1.443 1.296 1.00 0.00 O ATOM 0 H TYR A 66 -5.532 2.551 -2.008 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.892 3.737 0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.751 0.761 0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.591 1.455 1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.571 2.648 2.674 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.917 0.449 -0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.010 2.580 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.356 0.380 -0.687 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.095 0.960 0.543 1.00 0.00 H new ATOM 283 N VAL A 67 -3.392 3.862 0.666 1.00 0.00 N ATOM 284 CA VAL A 67 -1.947 3.831 0.774 1.00 0.00 C ATOM 285 C VAL A 67 -1.550 3.469 2.200 1.00 0.00 C ATOM 286 O VAL A 67 -2.179 3.900 3.172 1.00 0.00 O ATOM 287 CB VAL A 67 -1.249 5.147 0.321 1.00 0.00 C ATOM 288 CG1 VAL A 67 -2.067 5.858 -0.748 1.00 0.00 C ATOM 289 CG2 VAL A 67 -0.939 6.073 1.489 1.00 0.00 C ATOM 0 H VAL A 67 -3.844 4.665 1.103 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.597 3.066 0.081 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.291 4.865 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.557 6.774 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.179 5.206 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.051 6.104 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.453 6.976 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.866 6.342 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.276 5.565 2.190 1.00 0.00 H new ATOM 299 N PHE A 68 -0.530 2.645 2.305 1.00 0.00 N ATOM 300 CA PHE A 68 -0.052 2.150 3.584 1.00 0.00 C ATOM 301 C PHE A 68 1.046 3.060 4.114 1.00 0.00 C ATOM 302 O PHE A 68 1.691 3.772 3.350 1.00 0.00 O ATOM 303 CB PHE A 68 0.466 0.715 3.403 1.00 0.00 C ATOM 304 CG PHE A 68 1.064 0.087 4.633 1.00 0.00 C ATOM 305 CD1 PHE A 68 0.409 0.129 5.854 1.00 0.00 C ATOM 306 CD2 PHE A 68 2.293 -0.546 4.559 1.00 0.00 C ATOM 307 CE1 PHE A 68 0.973 -0.449 6.976 1.00 0.00 C ATOM 308 CE2 PHE A 68 2.862 -1.126 5.677 1.00 0.00 C ATOM 309 CZ PHE A 68 2.201 -1.077 6.888 1.00 0.00 C ATOM 0 H PHE A 68 -0.004 2.296 1.503 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.866 2.145 4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.358 0.089 3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.217 0.714 2.613 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.551 0.618 5.929 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.815 -0.587 3.614 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.454 -0.410 7.922 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.821 -1.616 5.603 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.642 -1.528 7.764 1.00 0.00 H new ATOM 319 N SER A 69 1.238 3.052 5.416 1.00 0.00 N ATOM 320 CA SER A 69 2.319 3.798 6.025 1.00 0.00 C ATOM 321 C SER A 69 3.395 2.825 6.485 1.00 0.00 C ATOM 322 O SER A 69 3.155 1.961 7.325 1.00 0.00 O ATOM 323 CB SER A 69 1.802 4.648 7.187 1.00 0.00 C ATOM 324 OG SER A 69 2.865 5.298 7.867 1.00 0.00 O ATOM 0 H SER A 69 0.657 2.535 6.076 1.00 0.00 H new ATOM 0 HA SER A 69 2.750 4.481 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.100 5.392 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.253 4.016 7.886 1.00 0.00 H new ATOM 0 HG SER A 69 2.503 5.834 8.603 1.00 0.00 H new ATOM 330 N ILE A 70 4.572 2.978 5.918 1.00 0.00 N ATOM 331 CA ILE A 70 5.661 2.047 6.119 1.00 0.00 C ATOM 332 C ILE A 70 6.749 2.676 6.979 1.00 0.00 C ATOM 333 O ILE A 70 7.372 3.662 6.584 1.00 0.00 O ATOM 334 CB ILE A 70 6.251 1.636 4.753 1.00 0.00 C ATOM 335 CG1 ILE A 70 5.154 1.065 3.852 1.00 0.00 C ATOM 336 CG2 ILE A 70 7.387 0.641 4.920 1.00 0.00 C ATOM 337 CD1 ILE A 70 5.623 0.729 2.456 1.00 0.00 C ATOM 0 H ILE A 70 4.802 3.757 5.301 1.00 0.00 H new ATOM 0 HA ILE A 70 5.277 1.165 6.631 1.00 0.00 H new ATOM 0 HB ILE A 70 6.662 2.527 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.749 0.165 4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.339 1.785 3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.781 0.371 3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.179 1.090 5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.017 -0.253 5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.789 0.330 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.001 1.630 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.417 -0.015 2.508 1.00 0.00 H new ATOM 445 N TYR A 79 7.677 5.998 4.909 1.00 0.00 N ATOM 446 CA TYR A 79 7.372 5.535 3.566 1.00 0.00 C ATOM 447 C TYR A 79 5.870 5.352 3.438 1.00 0.00 C ATOM 448 O TYR A 79 5.194 5.140 4.435 1.00 0.00 O ATOM 449 CB TYR A 79 8.077 4.203 3.287 1.00 0.00 C ATOM 450 CG TYR A 79 9.586 4.295 3.213 1.00 0.00 C ATOM 451 CD1 TYR A 79 10.355 4.373 4.367 1.00 0.00 C ATOM 452 CD2 TYR A 79 10.243 4.291 1.988 1.00 0.00 C ATOM 453 CE1 TYR A 79 11.731 4.447 4.302 1.00 0.00 C ATOM 454 CE2 TYR A 79 11.621 4.365 1.917 1.00 0.00 C ATOM 455 CZ TYR A 79 12.360 4.444 3.079 1.00 0.00 C ATOM 456 OH TYR A 79 13.735 4.512 3.021 1.00 0.00 O ATOM 0 HA TYR A 79 7.723 6.272 2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.807 3.493 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.704 3.799 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.868 4.376 5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.667 4.229 1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.313 4.507 5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.116 4.361 0.957 1.00 0.00 H new ATOM 0 HH TYR A 79 14.024 4.499 2.085 1.00 0.00 H new ATOM 466 N LYS A 80 5.346 5.444 2.230 1.00 0.00 N ATOM 467 CA LYS A 80 3.917 5.233 2.004 1.00 0.00 C ATOM 468 C LYS A 80 3.713 4.362 0.769 1.00 0.00 C ATOM 469 O LYS A 80 4.404 4.532 -0.229 1.00 0.00 O ATOM 470 CB LYS A 80 3.155 6.560 1.838 1.00 0.00 C ATOM 471 CG LYS A 80 3.373 7.546 2.976 1.00 0.00 C ATOM 472 CD LYS A 80 2.947 6.974 4.325 1.00 0.00 C ATOM 473 CE LYS A 80 1.442 7.004 4.531 1.00 0.00 C ATOM 474 NZ LYS A 80 0.880 8.365 4.341 1.00 0.00 N ATOM 0 H LYS A 80 5.881 5.662 1.389 1.00 0.00 H new ATOM 0 HA LYS A 80 3.515 4.731 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.461 7.028 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.089 6.347 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.426 7.823 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.811 8.458 2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.299 5.946 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.429 7.539 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.967 6.315 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.207 6.652 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.184 8.561 5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.646 9.067 4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.416 8.422 3.412 1.00 0.00 H new ATOM 488 N LEU A 81 2.763 3.444 0.836 1.00 0.00 N ATOM 489 CA LEU A 81 2.554 2.470 -0.233 1.00 0.00 C ATOM 490 C LEU A 81 1.158 2.628 -0.832 1.00 0.00 C ATOM 491 O LEU A 81 0.194 2.082 -0.303 1.00 0.00 O ATOM 492 CB LEU A 81 2.708 1.052 0.324 1.00 0.00 C ATOM 493 CG LEU A 81 3.171 -0.033 -0.654 1.00 0.00 C ATOM 494 CD1 LEU A 81 2.527 -1.352 -0.298 1.00 0.00 C ATOM 495 CD2 LEU A 81 2.863 0.330 -2.097 1.00 0.00 C ATOM 0 H LEU A 81 2.119 3.349 1.622 1.00 0.00 H new ATOM 0 HA LEU A 81 3.297 2.643 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.417 1.088 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.748 0.746 0.741 1.00 0.00 H new ATOM 0 HG LEU A 81 4.254 -0.119 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.860 -2.120 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.813 -1.635 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.443 -1.255 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.209 -0.468 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.788 0.460 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.372 1.259 -2.355 1.00 0.00 H new ATOM 507 N PRO A 82 1.031 3.388 -1.924 1.00 0.00 N ATOM 508 CA PRO A 82 -0.243 3.557 -2.635 1.00 0.00 C ATOM 509 C PRO A 82 -0.747 2.255 -3.246 1.00 0.00 C ATOM 510 O PRO A 82 0.017 1.517 -3.863 1.00 0.00 O ATOM 511 CB PRO A 82 0.104 4.552 -3.741 1.00 0.00 C ATOM 512 CG PRO A 82 1.332 5.233 -3.265 1.00 0.00 C ATOM 513 CD PRO A 82 2.106 4.170 -2.550 1.00 0.00 C ATOM 0 HA PRO A 82 -1.039 3.888 -1.968 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.276 4.045 -4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.706 5.263 -3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.903 5.646 -4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.092 6.062 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.704 3.569 -3.235 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.791 4.588 -1.812 1.00 0.00 H new ATOM 521 N TYR A 83 -2.038 1.990 -3.091 1.00 0.00 N ATOM 522 CA TYR A 83 -2.627 0.756 -3.578 1.00 0.00 C ATOM 523 C TYR A 83 -4.008 1.007 -4.178 1.00 0.00 C ATOM 524 O TYR A 83 -4.836 1.695 -3.582 1.00 0.00 O ATOM 525 CB TYR A 83 -2.724 -0.262 -2.430 1.00 0.00 C ATOM 526 CG TYR A 83 -3.503 -1.512 -2.777 1.00 0.00 C ATOM 527 CD1 TYR A 83 -3.162 -2.276 -3.882 1.00 0.00 C ATOM 528 CD2 TYR A 83 -4.576 -1.927 -1.997 1.00 0.00 C ATOM 529 CE1 TYR A 83 -3.867 -3.417 -4.207 1.00 0.00 C ATOM 530 CE2 TYR A 83 -5.286 -3.068 -2.315 1.00 0.00 C ATOM 531 CZ TYR A 83 -4.928 -3.808 -3.423 1.00 0.00 C ATOM 532 OH TYR A 83 -5.632 -4.943 -3.745 1.00 0.00 O ATOM 0 H TYR A 83 -2.697 2.618 -2.630 1.00 0.00 H new ATOM 0 HA TYR A 83 -1.987 0.354 -4.363 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.717 -0.547 -2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -3.193 0.219 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.330 -1.973 -4.500 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.859 -1.349 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.587 -4.000 -5.072 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.117 -3.379 -1.700 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.291 -5.311 -4.587 1.00 0.00 H new ATOM 542 N ASN A 84 -4.225 0.474 -5.373 1.00 0.00 N ATOM 543 CA ASN A 84 -5.553 0.417 -5.978 1.00 0.00 C ATOM 544 C ASN A 84 -6.082 -0.993 -5.802 1.00 0.00 C ATOM 545 O ASN A 84 -5.430 -1.947 -6.210 1.00 0.00 O ATOM 546 CB ASN A 84 -5.502 0.756 -7.474 1.00 0.00 C ATOM 547 CG ASN A 84 -5.171 2.209 -7.765 1.00 0.00 C ATOM 548 OD1 ASN A 84 -4.402 2.505 -8.675 1.00 0.00 O ATOM 549 ND2 ASN A 84 -5.786 3.127 -7.039 1.00 0.00 N ATOM 0 H ASN A 84 -3.488 0.069 -5.951 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.200 1.148 -5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.758 0.121 -7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.465 0.516 -7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.628 4.117 -7.228 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.419 2.845 -6.290 1.00 0.00 H new ATOM 556 N THR A 85 -7.264 -1.126 -5.222 1.00 0.00 N ATOM 557 CA THR A 85 -7.771 -2.428 -4.791 1.00 0.00 C ATOM 558 C THR A 85 -7.955 -3.425 -5.941 1.00 0.00 C ATOM 559 O THR A 85 -8.204 -4.606 -5.709 1.00 0.00 O ATOM 560 CB THR A 85 -9.088 -2.269 -4.015 1.00 0.00 C ATOM 561 OG1 THR A 85 -9.984 -1.415 -4.736 1.00 0.00 O ATOM 562 CG2 THR A 85 -8.818 -1.675 -2.646 1.00 0.00 C ATOM 0 H THR A 85 -7.896 -0.347 -5.036 1.00 0.00 H new ATOM 0 HA THR A 85 -7.006 -2.845 -4.136 1.00 0.00 H new ATOM 0 HB THR A 85 -9.543 -3.252 -3.898 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.821 -1.321 -4.235 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.758 -1.567 -2.105 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.152 -2.334 -2.089 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.350 -0.697 -2.760 1.00 0.00 H new ATOM 570 N SER A 86 -7.842 -2.950 -7.169 1.00 0.00 N ATOM 571 CA SER A 86 -7.997 -3.805 -8.338 1.00 0.00 C ATOM 572 C SER A 86 -6.698 -4.542 -8.679 1.00 0.00 C ATOM 573 O SER A 86 -6.705 -5.496 -9.460 1.00 0.00 O ATOM 574 CB SER A 86 -8.431 -2.959 -9.530 1.00 0.00 C ATOM 575 OG SER A 86 -9.439 -2.036 -9.156 1.00 0.00 O ATOM 0 H SER A 86 -7.643 -1.973 -7.385 1.00 0.00 H new ATOM 0 HA SER A 86 -8.756 -4.554 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.572 -2.422 -9.932 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.802 -3.606 -10.324 1.00 0.00 H new ATOM 0 HG SER A 86 -9.700 -1.503 -9.936 1.00 0.00 H new ATOM 581 N ASP A 87 -5.590 -4.109 -8.091 1.00 0.00 N ATOM 582 CA ASP A 87 -4.277 -4.652 -8.444 1.00 0.00 C ATOM 583 C ASP A 87 -3.828 -5.705 -7.430 1.00 0.00 C ATOM 584 O ASP A 87 -4.404 -5.824 -6.344 1.00 0.00 O ATOM 585 CB ASP A 87 -3.255 -3.515 -8.525 1.00 0.00 C ATOM 586 CG ASP A 87 -1.920 -3.951 -9.102 1.00 0.00 C ATOM 587 OD1 ASP A 87 -1.904 -4.875 -9.942 1.00 0.00 O ATOM 588 OD2 ASP A 87 -0.885 -3.349 -8.736 1.00 0.00 O ATOM 0 H ASP A 87 -5.570 -3.387 -7.371 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.351 -5.138 -9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.663 -2.711 -9.138 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.096 -3.106 -7.527 1.00 0.00 H new ATOM 593 N ASP A 88 -2.808 -6.472 -7.799 1.00 0.00 N ATOM 594 CA ASP A 88 -2.312 -7.559 -6.961 1.00 0.00 C ATOM 595 C ASP A 88 -1.272 -7.065 -5.969 1.00 0.00 C ATOM 596 O ASP A 88 -0.542 -6.116 -6.255 1.00 0.00 O ATOM 597 CB ASP A 88 -1.686 -8.670 -7.805 1.00 0.00 C ATOM 598 CG ASP A 88 -2.699 -9.446 -8.620 1.00 0.00 C ATOM 599 OD1 ASP A 88 -3.382 -10.318 -8.045 1.00 0.00 O ATOM 600 OD2 ASP A 88 -2.795 -9.213 -9.841 1.00 0.00 O ATOM 0 H ASP A 88 -2.305 -6.360 -8.679 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.173 -7.951 -6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.947 -8.234 -8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.153 -9.359 -7.149 1.00 0.00 H new ATOM 605 N PRO A 89 -1.170 -7.721 -4.803 1.00 0.00 N ATOM 606 CA PRO A 89 -0.206 -7.358 -3.760 1.00 0.00 C ATOM 607 C PRO A 89 1.205 -7.218 -4.299 1.00 0.00 C ATOM 608 O PRO A 89 1.803 -6.143 -4.244 1.00 0.00 O ATOM 609 CB PRO A 89 -0.262 -8.539 -2.781 1.00 0.00 C ATOM 610 CG PRO A 89 -1.070 -9.593 -3.463 1.00 0.00 C ATOM 611 CD PRO A 89 -1.982 -8.873 -4.402 1.00 0.00 C ATOM 0 HA PRO A 89 -0.452 -6.395 -3.313 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.739 -8.902 -2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.721 -8.244 -1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.427 -10.289 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.638 -10.178 -2.739 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.259 -9.492 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.909 -8.568 -3.916 1.00 0.00 H new ATOM 619 N TRP A 90 1.712 -8.317 -4.829 1.00 0.00 N ATOM 620 CA TRP A 90 3.064 -8.384 -5.350 1.00 0.00 C ATOM 621 C TRP A 90 3.297 -7.314 -6.412 1.00 0.00 C ATOM 622 O TRP A 90 4.358 -6.713 -6.455 1.00 0.00 O ATOM 623 CB TRP A 90 3.303 -9.794 -5.896 1.00 0.00 C ATOM 624 CG TRP A 90 4.535 -9.959 -6.735 1.00 0.00 C ATOM 625 CD1 TRP A 90 5.827 -9.796 -6.335 1.00 0.00 C ATOM 626 CD2 TRP A 90 4.589 -10.353 -8.112 1.00 0.00 C ATOM 627 NE1 TRP A 90 6.682 -10.052 -7.379 1.00 0.00 N ATOM 628 CE2 TRP A 90 5.946 -10.393 -8.481 1.00 0.00 C ATOM 629 CE3 TRP A 90 3.622 -10.671 -9.070 1.00 0.00 C ATOM 630 CZ2 TRP A 90 6.359 -10.736 -9.765 1.00 0.00 C ATOM 631 CZ3 TRP A 90 4.035 -11.013 -10.343 1.00 0.00 C ATOM 632 CH2 TRP A 90 5.391 -11.045 -10.680 1.00 0.00 C ATOM 0 H TRP A 90 1.194 -9.192 -4.910 1.00 0.00 H new ATOM 0 HA TRP A 90 3.780 -8.185 -4.553 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.361 -10.486 -5.056 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.437 -10.087 -6.490 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.134 -9.507 -5.341 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.700 -9.997 -7.339 1.00 0.00 H new ATOM 0 HE3 TRP A 90 2.572 -10.650 -8.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 7.406 -10.757 -10.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 3.297 -11.260 -11.091 1.00 0.00 H new ATOM 0 HH2 TRP A 90 5.680 -11.319 -11.684 1.00 0.00 H new ATOM 643 N LEU A 91 2.290 -7.049 -7.235 1.00 0.00 N ATOM 644 CA LEU A 91 2.425 -6.068 -8.306 1.00 0.00 C ATOM 645 C LEU A 91 2.461 -4.645 -7.759 1.00 0.00 C ATOM 646 O LEU A 91 3.319 -3.850 -8.139 1.00 0.00 O ATOM 647 CB LEU A 91 1.266 -6.200 -9.290 1.00 0.00 C ATOM 648 CG LEU A 91 1.192 -7.524 -10.042 1.00 0.00 C ATOM 649 CD1 LEU A 91 0.039 -7.502 -11.033 1.00 0.00 C ATOM 650 CD2 LEU A 91 2.505 -7.790 -10.752 1.00 0.00 C ATOM 0 H LEU A 91 1.375 -7.497 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 91 3.368 -6.266 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.332 -6.058 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.336 -5.392 -10.018 1.00 0.00 H new ATOM 0 HG LEU A 91 1.014 -8.329 -9.329 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.003 -8.453 -11.564 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.897 -7.343 -10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.190 -6.694 -11.749 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.444 -8.738 -11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.705 -6.986 -11.460 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.311 -7.838 -10.020 1.00 0.00 H new ATOM 662 N THR A 92 1.537 -4.340 -6.854 1.00 0.00 N ATOM 663 CA THR A 92 1.470 -3.020 -6.240 1.00 0.00 C ATOM 664 C THR A 92 2.731 -2.743 -5.436 1.00 0.00 C ATOM 665 O THR A 92 3.340 -1.676 -5.546 1.00 0.00 O ATOM 666 CB THR A 92 0.244 -2.902 -5.318 1.00 0.00 C ATOM 667 OG1 THR A 92 -0.953 -3.139 -6.065 1.00 0.00 O ATOM 668 CG2 THR A 92 0.179 -1.530 -4.661 1.00 0.00 C ATOM 0 H THR A 92 0.823 -4.991 -6.529 1.00 0.00 H new ATOM 0 HA THR A 92 1.381 -2.286 -7.041 1.00 0.00 H new ATOM 0 HB THR A 92 0.338 -3.652 -4.533 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.781 -2.980 -7.017 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.698 -1.477 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.078 -1.369 -4.066 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.110 -0.761 -5.430 1.00 0.00 H new ATOM 676 N ALA A 93 3.122 -3.725 -4.644 1.00 0.00 N ATOM 677 CA ALA A 93 4.307 -3.628 -3.819 1.00 0.00 C ATOM 678 C ALA A 93 5.559 -3.487 -4.672 1.00 0.00 C ATOM 679 O ALA A 93 6.446 -2.692 -4.368 1.00 0.00 O ATOM 680 CB ALA A 93 4.404 -4.860 -2.951 1.00 0.00 C ATOM 0 H ALA A 93 2.625 -4.611 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 93 4.230 -2.739 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.294 -4.795 -2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.520 -4.929 -2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.468 -5.746 -3.583 1.00 0.00 H new ATOM 686 N TYR A 94 5.610 -4.264 -5.747 1.00 0.00 N ATOM 687 CA TYR A 94 6.745 -4.263 -6.656 1.00 0.00 C ATOM 688 C TYR A 94 6.858 -2.901 -7.325 1.00 0.00 C ATOM 689 O TYR A 94 7.952 -2.362 -7.476 1.00 0.00 O ATOM 690 CB TYR A 94 6.538 -5.357 -7.705 1.00 0.00 C ATOM 691 CG TYR A 94 7.778 -5.802 -8.433 1.00 0.00 C ATOM 692 CD1 TYR A 94 8.355 -5.013 -9.409 1.00 0.00 C ATOM 693 CD2 TYR A 94 8.342 -7.038 -8.163 1.00 0.00 C ATOM 694 CE1 TYR A 94 9.469 -5.444 -10.104 1.00 0.00 C ATOM 695 CE2 TYR A 94 9.458 -7.476 -8.845 1.00 0.00 C ATOM 696 CZ TYR A 94 10.017 -6.675 -9.817 1.00 0.00 C ATOM 697 OH TYR A 94 11.119 -7.117 -10.512 1.00 0.00 O ATOM 0 H TYR A 94 4.867 -4.910 -6.011 1.00 0.00 H new ATOM 0 HA TYR A 94 7.667 -4.459 -6.108 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.094 -6.224 -7.217 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.816 -5.000 -8.439 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.930 -4.046 -9.632 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.901 -7.669 -7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.908 -4.819 -10.868 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.890 -8.439 -8.619 1.00 0.00 H new ATOM 0 HH TYR A 94 11.378 -8.003 -10.184 1.00 0.00 H new ATOM 707 N ASN A 95 5.704 -2.347 -7.701 1.00 0.00 N ATOM 708 CA ASN A 95 5.640 -1.032 -8.339 1.00 0.00 C ATOM 709 C ASN A 95 6.226 0.043 -7.429 1.00 0.00 C ATOM 710 O ASN A 95 7.039 0.857 -7.861 1.00 0.00 O ATOM 711 CB ASN A 95 4.193 -0.674 -8.685 1.00 0.00 C ATOM 712 CG ASN A 95 4.085 0.599 -9.506 1.00 0.00 C ATOM 713 OD1 ASN A 95 4.020 1.703 -8.965 1.00 0.00 O ATOM 714 ND2 ASN A 95 4.042 0.449 -10.821 1.00 0.00 N ATOM 0 H ASN A 95 4.795 -2.793 -7.573 1.00 0.00 H new ATOM 0 HA ASN A 95 6.228 -1.077 -9.255 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.741 -1.498 -9.238 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.622 -0.557 -7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.952 1.266 -11.425 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.099 -0.484 -11.230 1.00 0.00 H new ATOM 721 N PHE A 96 5.823 0.035 -6.162 1.00 0.00 N ATOM 722 CA PHE A 96 6.346 0.992 -5.193 1.00 0.00 C ATOM 723 C PHE A 96 7.821 0.731 -4.924 1.00 0.00 C ATOM 724 O PHE A 96 8.620 1.665 -4.825 1.00 0.00 O ATOM 725 CB PHE A 96 5.542 0.942 -3.889 1.00 0.00 C ATOM 726 CG PHE A 96 6.161 1.731 -2.765 1.00 0.00 C ATOM 727 CD1 PHE A 96 6.349 3.100 -2.888 1.00 0.00 C ATOM 728 CD2 PHE A 96 6.564 1.105 -1.593 1.00 0.00 C ATOM 729 CE1 PHE A 96 6.924 3.830 -1.866 1.00 0.00 C ATOM 730 CE2 PHE A 96 7.140 1.833 -0.568 1.00 0.00 C ATOM 731 CZ PHE A 96 7.320 3.195 -0.704 1.00 0.00 C ATOM 0 H PHE A 96 5.139 -0.620 -5.784 1.00 0.00 H new ATOM 0 HA PHE A 96 6.246 1.992 -5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.538 1.321 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.437 -0.097 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.042 3.601 -3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.426 0.040 -1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.064 4.895 -1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.449 1.336 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.770 3.764 0.097 1.00 0.00 H new ATOM 741 N LEU A 97 8.179 -0.543 -4.835 1.00 0.00 N ATOM 742 CA LEU A 97 9.550 -0.936 -4.551 1.00 0.00 C ATOM 743 C LEU A 97 10.509 -0.408 -5.616 1.00 0.00 C ATOM 744 O LEU A 97 11.537 0.171 -5.290 1.00 0.00 O ATOM 745 CB LEU A 97 9.647 -2.457 -4.456 1.00 0.00 C ATOM 746 CG LEU A 97 10.354 -2.977 -3.213 1.00 0.00 C ATOM 747 CD1 LEU A 97 9.561 -2.603 -1.976 1.00 0.00 C ATOM 748 CD2 LEU A 97 10.530 -4.478 -3.291 1.00 0.00 C ATOM 0 H LEU A 97 7.534 -1.324 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 97 9.839 -0.499 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.640 -2.873 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.171 -2.829 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 97 11.342 -2.520 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.072 -2.978 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.474 -1.518 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.566 -3.044 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.037 -4.832 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.553 -4.955 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.126 -4.729 -4.168 1.00 0.00 H new ATOM 760 N GLN A 98 10.162 -0.589 -6.884 1.00 0.00 N ATOM 761 CA GLN A 98 10.990 -0.074 -7.974 1.00 0.00 C ATOM 762 C GLN A 98 10.921 1.452 -8.041 1.00 0.00 C ATOM 763 O GLN A 98 11.920 2.119 -8.311 1.00 0.00 O ATOM 764 CB GLN A 98 10.580 -0.690 -9.314 1.00 0.00 C ATOM 765 CG GLN A 98 9.123 -0.470 -9.657 1.00 0.00 C ATOM 766 CD GLN A 98 8.732 -1.099 -10.974 1.00 0.00 C ATOM 767 OE1 GLN A 98 9.317 -2.095 -11.398 1.00 0.00 O ATOM 768 NE2 GLN A 98 7.735 -0.526 -11.626 1.00 0.00 N ATOM 0 H GLN A 98 9.322 -1.083 -7.184 1.00 0.00 H new ATOM 0 HA GLN A 98 12.022 -0.360 -7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.199 -0.266 -10.105 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.782 -1.761 -9.290 1.00 0.00 H new ATOM 0 HG2 GLN A 98 8.501 -0.883 -8.863 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.921 0.600 -9.696 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.278 0.299 -11.237 1.00 0.00 H new ATOM 0 HE22 GLN A 98 7.422 -0.909 -12.518 1.00 0.00 H new ATOM 777 N LYS A 99 9.736 1.994 -7.780 1.00 0.00 N ATOM 778 CA LYS A 99 9.506 3.434 -7.840 1.00 0.00 C ATOM 779 C LYS A 99 10.378 4.186 -6.840 1.00 0.00 C ATOM 780 O LYS A 99 10.995 5.197 -7.177 1.00 0.00 O ATOM 781 CB LYS A 99 8.042 3.732 -7.543 1.00 0.00 C ATOM 782 CG LYS A 99 7.709 5.210 -7.551 1.00 0.00 C ATOM 783 CD LYS A 99 6.828 5.565 -6.368 1.00 0.00 C ATOM 784 CE LYS A 99 6.460 7.041 -6.347 1.00 0.00 C ATOM 785 NZ LYS A 99 7.664 7.913 -6.329 1.00 0.00 N ATOM 0 H LYS A 99 8.912 1.451 -7.522 1.00 0.00 H new ATOM 0 HA LYS A 99 9.767 3.769 -8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.420 3.224 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.786 3.316 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.628 5.796 -7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.201 5.469 -8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.918 4.966 -6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.344 5.308 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.854 7.277 -7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.847 7.250 -5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.382 8.890 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.327 7.574 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.126 7.886 -7.260 1.00 0.00 H new ATOM 799 N ASN A 100 10.438 3.681 -5.617 1.00 0.00 N ATOM 800 CA ASN A 100 11.178 4.354 -4.556 1.00 0.00 C ATOM 801 C ASN A 100 12.594 3.790 -4.465 1.00 0.00 C ATOM 802 O ASN A 100 13.441 4.301 -3.731 1.00 0.00 O ATOM 803 CB ASN A 100 10.447 4.192 -3.217 1.00 0.00 C ATOM 804 CG ASN A 100 10.679 5.347 -2.248 1.00 0.00 C ATOM 805 OD1 ASN A 100 9.773 5.735 -1.516 1.00 0.00 O ATOM 806 ND2 ASN A 100 11.887 5.892 -2.217 1.00 0.00 N ATOM 0 H ASN A 100 9.986 2.812 -5.334 1.00 0.00 H new ATOM 0 HA ASN A 100 11.242 5.417 -4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.378 4.097 -3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.771 3.264 -2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.085 6.657 -1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.618 5.547 -2.838 1.00 0.00 H new ATOM 813 N ASP A 101 12.828 2.734 -5.244 1.00 0.00 N ATOM 814 CA ASP A 101 14.099 2.003 -5.252 1.00 0.00 C ATOM 815 C ASP A 101 14.361 1.380 -3.882 1.00 0.00 C ATOM 816 O ASP A 101 15.363 1.671 -3.228 1.00 0.00 O ATOM 817 CB ASP A 101 15.265 2.911 -5.661 1.00 0.00 C ATOM 818 CG ASP A 101 16.468 2.135 -6.183 1.00 0.00 C ATOM 819 OD1 ASP A 101 16.885 1.143 -5.543 1.00 0.00 O ATOM 820 OD2 ASP A 101 17.013 2.522 -7.237 1.00 0.00 O ATOM 0 H ASP A 101 12.137 2.357 -5.893 1.00 0.00 H new ATOM 0 HA ASP A 101 14.023 1.207 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.926 3.605 -6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.570 3.510 -4.803 1.00 0.00 H new ATOM 825 N LEU A 102 13.433 0.546 -3.438 1.00 0.00 N ATOM 826 CA LEU A 102 13.588 -0.174 -2.190 1.00 0.00 C ATOM 827 C LEU A 102 14.241 -1.526 -2.437 1.00 0.00 C ATOM 828 O LEU A 102 14.496 -1.911 -3.581 1.00 0.00 O ATOM 829 CB LEU A 102 12.232 -0.392 -1.511 1.00 0.00 C ATOM 830 CG LEU A 102 11.485 0.859 -1.043 1.00 0.00 C ATOM 831 CD1 LEU A 102 12.386 2.082 -0.996 1.00 0.00 C ATOM 832 CD2 LEU A 102 10.278 1.098 -1.920 1.00 0.00 C ATOM 0 H LEU A 102 12.560 0.353 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 102 14.221 0.427 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.588 -0.933 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.385 -1.039 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 102 11.148 0.685 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.811 2.944 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.209 1.901 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.785 2.279 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.752 1.990 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.600 1.238 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.610 0.239 -1.862 1.00 0.00 H new ATOM 844 N ASN A 103 14.497 -2.237 -1.355 1.00 0.00 N ATOM 845 CA ASN A 103 15.066 -3.575 -1.416 1.00 0.00 C ATOM 846 C ASN A 103 13.947 -4.588 -1.642 1.00 0.00 C ATOM 847 O ASN A 103 12.892 -4.496 -1.015 1.00 0.00 O ATOM 848 CB ASN A 103 15.777 -3.882 -0.096 1.00 0.00 C ATOM 849 CG ASN A 103 16.749 -5.043 -0.181 1.00 0.00 C ATOM 850 OD1 ASN A 103 17.379 -5.271 -1.207 1.00 0.00 O ATOM 851 ND2 ASN A 103 16.882 -5.783 0.911 1.00 0.00 N ATOM 0 H ASN A 103 14.317 -1.905 -0.407 1.00 0.00 H new ATOM 0 HA ASN A 103 15.781 -3.635 -2.236 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.315 -2.993 0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.029 -4.101 0.666 1.00 0.00 H new ATOM 0 HD21 ASN A 103 17.526 -6.574 0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.340 -5.562 1.746 1.00 0.00 H new ATOM 858 N PRO A 104 14.160 -5.568 -2.537 1.00 0.00 N ATOM 859 CA PRO A 104 13.156 -6.594 -2.876 1.00 0.00 C ATOM 860 C PRO A 104 12.704 -7.403 -1.661 1.00 0.00 C ATOM 861 O PRO A 104 11.696 -8.102 -1.708 1.00 0.00 O ATOM 862 CB PRO A 104 13.888 -7.490 -3.876 1.00 0.00 C ATOM 863 CG PRO A 104 14.958 -6.622 -4.443 1.00 0.00 C ATOM 864 CD PRO A 104 15.394 -5.740 -3.314 1.00 0.00 C ATOM 0 HA PRO A 104 12.242 -6.150 -3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 104 14.308 -8.369 -3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 104 13.214 -7.849 -4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 104 15.789 -7.218 -4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.584 -6.033 -5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.183 -6.203 -2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.782 -4.787 -3.673 1.00 0.00 H new ATOM 872 N MET A 105 13.450 -7.277 -0.569 1.00 0.00 N ATOM 873 CA MET A 105 13.105 -7.928 0.690 1.00 0.00 C ATOM 874 C MET A 105 11.846 -7.304 1.298 1.00 0.00 C ATOM 875 O MET A 105 11.186 -7.904 2.146 1.00 0.00 O ATOM 876 CB MET A 105 14.278 -7.816 1.667 1.00 0.00 C ATOM 877 CG MET A 105 14.009 -8.413 3.038 1.00 0.00 C ATOM 878 SD MET A 105 15.381 -8.160 4.181 1.00 0.00 S ATOM 879 CE MET A 105 16.667 -9.130 3.394 1.00 0.00 C ATOM 0 H MET A 105 14.306 -6.724 -0.531 1.00 0.00 H new ATOM 0 HA MET A 105 12.900 -8.981 0.494 1.00 0.00 H new ATOM 0 HB2 MET A 105 15.146 -8.311 1.232 1.00 0.00 H new ATOM 0 HB3 MET A 105 14.537 -6.764 1.786 1.00 0.00 H new ATOM 0 HG2 MET A 105 13.106 -7.967 3.455 1.00 0.00 H new ATOM 0 HG3 MET A 105 13.818 -9.481 2.935 1.00 0.00 H new ATOM 0 HE1 MET A 105 17.474 -9.309 4.104 1.00 0.00 H new ATOM 0 HE2 MET A 105 16.254 -10.084 3.066 1.00 0.00 H new ATOM 0 HE3 MET A 105 17.056 -8.588 2.532 1.00 0.00 H new ATOM 889 N PHE A 106 11.500 -6.104 0.844 1.00 0.00 N ATOM 890 CA PHE A 106 10.357 -5.392 1.390 1.00 0.00 C ATOM 891 C PHE A 106 9.087 -5.819 0.679 1.00 0.00 C ATOM 892 O PHE A 106 7.990 -5.696 1.220 1.00 0.00 O ATOM 893 CB PHE A 106 10.544 -3.880 1.251 1.00 0.00 C ATOM 894 CG PHE A 106 11.630 -3.310 2.118 1.00 0.00 C ATOM 895 CD1 PHE A 106 11.520 -3.349 3.498 1.00 0.00 C ATOM 896 CD2 PHE A 106 12.757 -2.730 1.555 1.00 0.00 C ATOM 897 CE1 PHE A 106 12.512 -2.821 4.300 1.00 0.00 C ATOM 898 CE2 PHE A 106 13.752 -2.199 2.354 1.00 0.00 C ATOM 899 CZ PHE A 106 13.627 -2.246 3.728 1.00 0.00 C ATOM 0 H PHE A 106 11.994 -5.608 0.102 1.00 0.00 H new ATOM 0 HA PHE A 106 10.276 -5.637 2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 106 10.767 -3.647 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.604 -3.385 1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 106 10.649 -3.797 3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 106 12.858 -2.693 0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 106 12.415 -2.858 5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 106 14.625 -1.749 1.905 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.403 -1.832 4.355 1.00 0.00 H new ATOM 909 N LEU A 107 9.266 -6.357 -0.523 1.00 0.00 N ATOM 910 CA LEU A 107 8.165 -6.707 -1.417 1.00 0.00 C ATOM 911 C LEU A 107 7.140 -7.609 -0.742 1.00 0.00 C ATOM 912 O LEU A 107 5.937 -7.367 -0.840 1.00 0.00 O ATOM 913 CB LEU A 107 8.740 -7.369 -2.672 1.00 0.00 C ATOM 914 CG LEU A 107 7.740 -7.954 -3.665 1.00 0.00 C ATOM 915 CD1 LEU A 107 6.762 -6.898 -4.115 1.00 0.00 C ATOM 916 CD2 LEU A 107 8.477 -8.503 -4.866 1.00 0.00 C ATOM 0 H LEU A 107 10.187 -6.565 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 107 7.635 -5.795 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.347 -6.631 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.411 -8.168 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 107 7.190 -8.756 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.057 -7.333 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.219 -6.513 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.302 -6.083 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.760 -8.920 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 107 9.037 -7.701 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 107 9.166 -9.284 -4.544 1.00 0.00 H new ATOM 928 N ASP A 108 7.607 -8.631 -0.046 1.00 0.00 N ATOM 929 CA ASP A 108 6.700 -9.550 0.629 1.00 0.00 C ATOM 930 C ASP A 108 5.938 -8.845 1.750 1.00 0.00 C ATOM 931 O ASP A 108 4.737 -9.051 1.913 1.00 0.00 O ATOM 932 CB ASP A 108 7.457 -10.756 1.179 1.00 0.00 C ATOM 933 CG ASP A 108 6.539 -11.759 1.858 1.00 0.00 C ATOM 934 OD1 ASP A 108 5.778 -12.453 1.153 1.00 0.00 O ATOM 935 OD2 ASP A 108 6.581 -11.858 3.105 1.00 0.00 O ATOM 0 H ASP A 108 8.598 -8.846 0.068 1.00 0.00 H new ATOM 0 HA ASP A 108 5.977 -9.902 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.990 -11.249 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.208 -10.415 1.892 1.00 0.00 H new ATOM 940 N GLN A 109 6.637 -7.987 2.494 1.00 0.00 N ATOM 941 CA GLN A 109 6.036 -7.269 3.613 1.00 0.00 C ATOM 942 C GLN A 109 4.897 -6.372 3.139 1.00 0.00 C ATOM 943 O GLN A 109 3.788 -6.418 3.677 1.00 0.00 O ATOM 944 CB GLN A 109 7.104 -6.417 4.313 1.00 0.00 C ATOM 945 CG GLN A 109 6.521 -5.283 5.142 1.00 0.00 C ATOM 946 CD GLN A 109 7.559 -4.295 5.644 1.00 0.00 C ATOM 947 OE1 GLN A 109 8.781 -4.754 5.846 1.00 0.00 O flip ATOM 948 NE2 GLN A 109 7.261 -3.118 5.847 1.00 0.00 N flip ATOM 0 H GLN A 109 7.622 -7.774 2.339 1.00 0.00 H new ATOM 0 HA GLN A 109 5.630 -8.001 4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 109 7.705 -7.058 4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.776 -6.001 3.563 1.00 0.00 H new ATOM 0 HG2 GLN A 109 5.784 -4.748 4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.991 -5.705 5.996 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.307 -2.797 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 109 7.968 -2.463 6.182 1.00 0.00 H new ATOM 957 N VAL A 110 5.170 -5.580 2.114 1.00 0.00 N ATOM 958 CA VAL A 110 4.193 -4.634 1.613 1.00 0.00 C ATOM 959 C VAL A 110 3.036 -5.343 0.923 1.00 0.00 C ATOM 960 O VAL A 110 1.876 -5.024 1.175 1.00 0.00 O ATOM 961 CB VAL A 110 4.832 -3.600 0.664 1.00 0.00 C ATOM 962 CG1 VAL A 110 5.478 -2.497 1.459 1.00 0.00 C ATOM 963 CG2 VAL A 110 5.874 -4.241 -0.221 1.00 0.00 C ATOM 0 H VAL A 110 6.060 -5.575 1.615 1.00 0.00 H new ATOM 0 HA VAL A 110 3.800 -4.098 2.477 1.00 0.00 H new ATOM 0 HB VAL A 110 4.039 -3.192 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.926 -1.773 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.725 -2.002 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.251 -2.917 2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.306 -3.487 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.659 -4.676 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.410 -5.023 -0.822 1.00 0.00 H new ATOM 973 N ALA A 111 3.350 -6.326 0.085 1.00 0.00 N ATOM 974 CA ALA A 111 2.322 -7.070 -0.635 1.00 0.00 C ATOM 975 C ALA A 111 1.380 -7.778 0.336 1.00 0.00 C ATOM 976 O ALA A 111 0.171 -7.820 0.118 1.00 0.00 O ATOM 977 CB ALA A 111 2.942 -8.081 -1.587 1.00 0.00 C ATOM 0 H ALA A 111 4.305 -6.625 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 111 1.747 -6.352 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.152 -8.621 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.568 -7.561 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.551 -8.787 -1.022 1.00 0.00 H new ATOM 983 N LYS A 112 1.928 -8.322 1.414 1.00 0.00 N ATOM 984 CA LYS A 112 1.116 -9.029 2.393 1.00 0.00 C ATOM 985 C LYS A 112 0.158 -8.087 3.113 1.00 0.00 C ATOM 986 O LYS A 112 -0.975 -8.462 3.411 1.00 0.00 O ATOM 987 CB LYS A 112 1.993 -9.782 3.394 1.00 0.00 C ATOM 988 CG LYS A 112 2.536 -11.091 2.842 1.00 0.00 C ATOM 989 CD LYS A 112 1.408 -12.008 2.388 1.00 0.00 C ATOM 990 CE LYS A 112 1.926 -13.337 1.853 1.00 0.00 C ATOM 991 NZ LYS A 112 2.484 -14.196 2.932 1.00 0.00 N ATOM 0 H LYS A 112 2.924 -8.288 1.631 1.00 0.00 H new ATOM 0 HA LYS A 112 0.515 -9.759 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.827 -9.145 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.414 -9.986 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 112 3.202 -10.887 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.130 -11.592 3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.734 -12.193 3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.826 -11.509 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.115 -13.866 1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.696 -13.150 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.778 -15.110 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.306 -13.725 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.758 -14.355 3.660 1.00 0.00 H new ATOM 1005 N PHE A 113 0.599 -6.865 3.382 1.00 0.00 N ATOM 1006 CA PHE A 113 -0.277 -5.873 3.995 1.00 0.00 C ATOM 1007 C PHE A 113 -1.334 -5.428 2.987 1.00 0.00 C ATOM 1008 O PHE A 113 -2.488 -5.192 3.343 1.00 0.00 O ATOM 1009 CB PHE A 113 0.510 -4.667 4.511 1.00 0.00 C ATOM 1010 CG PHE A 113 -0.235 -3.918 5.584 1.00 0.00 C ATOM 1011 CD1 PHE A 113 -1.256 -3.041 5.255 1.00 0.00 C ATOM 1012 CD2 PHE A 113 0.075 -4.106 6.924 1.00 0.00 C ATOM 1013 CE1 PHE A 113 -1.954 -2.366 6.238 1.00 0.00 C ATOM 1014 CE2 PHE A 113 -0.618 -3.431 7.912 1.00 0.00 C ATOM 1015 CZ PHE A 113 -1.635 -2.560 7.568 1.00 0.00 C ATOM 0 H PHE A 113 1.546 -6.539 3.189 1.00 0.00 H new ATOM 0 HA PHE A 113 -0.765 -6.335 4.853 1.00 0.00 H new ATOM 0 HB2 PHE A 113 1.470 -5.003 4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.724 -3.993 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.509 -2.883 4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.867 -4.787 7.198 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -2.749 -1.687 5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.365 -3.584 8.951 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.179 -2.032 8.337 1.00 0.00 H new ATOM 1025 N ILE A 114 -0.929 -5.322 1.725 1.00 0.00 N ATOM 1026 CA ILE A 114 -1.852 -5.029 0.638 1.00 0.00 C ATOM 1027 C ILE A 114 -2.970 -6.066 0.603 1.00 0.00 C ATOM 1028 O ILE A 114 -4.146 -5.734 0.430 1.00 0.00 O ATOM 1029 CB ILE A 114 -1.111 -5.041 -0.706 1.00 0.00 C ATOM 1030 CG1 ILE A 114 -0.153 -3.859 -0.802 1.00 0.00 C ATOM 1031 CG2 ILE A 114 -2.088 -5.031 -1.866 1.00 0.00 C ATOM 1032 CD1 ILE A 114 0.928 -4.069 -1.833 1.00 0.00 C ATOM 0 H ILE A 114 0.041 -5.436 1.430 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.279 -4.040 0.807 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.530 -5.961 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.716 -2.959 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.307 -3.689 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.537 -5.040 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.727 -5.913 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.704 -4.133 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.581 -3.197 -1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.512 -4.952 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.473 -4.211 -2.813 1.00 0.00 H new ATOM 1044 N ILE A 115 -2.587 -7.322 0.781 1.00 0.00 N ATOM 1045 CA ILE A 115 -3.541 -8.413 0.841 1.00 0.00 C ATOM 1046 C ILE A 115 -4.490 -8.230 2.010 1.00 0.00 C ATOM 1047 O ILE A 115 -5.690 -8.332 1.844 1.00 0.00 O ATOM 1048 CB ILE A 115 -2.834 -9.775 0.959 1.00 0.00 C ATOM 1049 CG1 ILE A 115 -2.208 -10.147 -0.384 1.00 0.00 C ATOM 1050 CG2 ILE A 115 -3.816 -10.844 1.429 1.00 0.00 C ATOM 1051 CD1 ILE A 115 -1.125 -11.194 -0.281 1.00 0.00 C ATOM 0 H ILE A 115 -1.614 -7.609 0.887 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.108 -8.399 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 115 -2.039 -9.707 1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.990 -10.511 -1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.791 -9.250 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.301 -11.802 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.217 -10.566 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -4.632 -10.929 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.728 -11.406 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.323 -10.826 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.541 -12.107 0.146 1.00 0.00 H new ATOM 1063 N ASP A 116 -3.942 -7.935 3.179 1.00 0.00 N ATOM 1064 CA ASP A 116 -4.745 -7.741 4.390 1.00 0.00 C ATOM 1065 C ASP A 116 -5.849 -6.706 4.182 1.00 0.00 C ATOM 1066 O ASP A 116 -6.939 -6.833 4.739 1.00 0.00 O ATOM 1067 CB ASP A 116 -3.858 -7.322 5.565 1.00 0.00 C ATOM 1068 CG ASP A 116 -3.294 -8.503 6.327 1.00 0.00 C ATOM 1069 OD1 ASP A 116 -3.320 -9.634 5.796 1.00 0.00 O ATOM 1070 OD2 ASP A 116 -2.821 -8.307 7.469 1.00 0.00 O ATOM 0 H ASP A 116 -2.938 -7.823 3.321 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.217 -8.697 4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.036 -6.710 5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.437 -6.699 6.247 1.00 0.00 H new ATOM 1075 N ASN A 117 -5.557 -5.682 3.388 1.00 0.00 N ATOM 1076 CA ASN A 117 -6.522 -4.618 3.100 1.00 0.00 C ATOM 1077 C ASN A 117 -7.710 -5.144 2.284 1.00 0.00 C ATOM 1078 O ASN A 117 -8.808 -4.589 2.334 1.00 0.00 O ATOM 1079 CB ASN A 117 -5.829 -3.473 2.346 1.00 0.00 C ATOM 1080 CG ASN A 117 -6.733 -2.267 2.131 1.00 0.00 C ATOM 1081 OD1 ASN A 117 -6.809 -1.377 2.976 1.00 0.00 O ATOM 1082 ND2 ASN A 117 -7.406 -2.219 0.991 1.00 0.00 N ATOM 0 H ASN A 117 -4.655 -5.563 2.928 1.00 0.00 H new ATOM 0 HA ASN A 117 -6.908 -4.246 4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -4.945 -3.162 2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -5.485 -3.839 1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -8.013 -1.424 0.790 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.317 -2.977 0.314 1.00 0.00 H new ATOM 1089 N THR A 118 -7.485 -6.210 1.529 1.00 0.00 N ATOM 1090 CA THR A 118 -8.534 -6.801 0.707 1.00 0.00 C ATOM 1091 C THR A 118 -8.985 -8.149 1.271 1.00 0.00 C ATOM 1092 O THR A 118 -10.020 -8.693 0.877 1.00 0.00 O ATOM 1093 CB THR A 118 -8.061 -6.971 -0.750 1.00 0.00 C ATOM 1094 OG1 THR A 118 -6.703 -7.443 -0.778 1.00 0.00 O ATOM 1095 CG2 THR A 118 -8.164 -5.657 -1.513 1.00 0.00 C ATOM 0 H THR A 118 -6.584 -6.685 1.468 1.00 0.00 H new ATOM 0 HA THR A 118 -9.384 -6.119 0.722 1.00 0.00 H new ATOM 0 HB THR A 118 -8.708 -7.703 -1.233 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.486 -7.865 0.079 1.00 0.00 H new ATOM 0 HG21 THR A 118 -7.824 -5.804 -2.538 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.201 -5.320 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.541 -4.905 -1.029 1.00 0.00 H new