USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 619 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 194 CYS SG : rot -20:sc= 0.722 USER MOD Set 1.2: A 195 CYS SG : rot 180:sc= -0.0142 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.2!) USER MOD Single : A 164 LYS NZ :NH3+ -140:sc= -0.119 (180deg=-0.514) USER MOD Single : A 165 GLN : amide:sc= 0.154 X(o=0.15,f=-0.13) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.0905 USER MOD Single : A 173 CYS SG : rot 180:sc= -0.563 USER MOD Single : A 176 THR OG1 : rot -95:sc= 0.866 USER MOD Single : A 180 SER OG : rot 73:sc= 0.808 USER MOD Single : A 182 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0427) USER MOD Single : A 183 LYS NZ :NH3+ 170:sc= -0.0015 (180deg=-0.115) USER MOD Single : A 186 MET CE :methyl 160:sc= -0.168 (180deg=-0.7) USER MOD Single : A 187 MET CE :methyl -103:sc= -0.762 (180deg=-2.08) USER MOD Single : A 198 TYR OH : rot 144:sc= 0.00655 USER MOD Single : A 201 GLN : amide:sc= 1.02 K(o=1,f=-5.3!) USER MOD Single : A 205 LYS NZ :NH3+ -135:sc= -0.97 (180deg=-2.87!) USER MOD Single : A 206 LYS NZ :NH3+ 161:sc= -0.0476 (180deg=-0.415) USER MOD Single : A 212 THR OG1 : rot 89:sc= 0.155 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 82:sc= 0.78 USER MOD Single : A 223 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 6.140 15.088 -7.685 1.00 71.11 N ATOM 115 CA LYS A 154 6.769 13.762 -7.750 1.00 43.45 C ATOM 116 C LYS A 154 5.739 12.677 -8.116 1.00 21.11 C ATOM 117 O LYS A 154 4.530 12.894 -7.999 1.00 65.23 O ATOM 118 CB LYS A 154 7.413 13.423 -6.392 1.00 4.22 C ATOM 119 CG LYS A 154 8.512 14.394 -5.959 1.00 71.42 C ATOM 120 CD LYS A 154 9.678 14.412 -6.944 1.00 24.25 C ATOM 121 CE LYS A 154 10.775 15.374 -6.504 1.00 31.51 C ATOM 122 NZ LYS A 154 11.865 15.474 -7.512 1.00 25.10 N ATOM 0 HA LYS A 154 7.534 13.787 -8.526 1.00 43.45 H new ATOM 0 HB2 LYS A 154 6.636 13.408 -5.628 1.00 4.22 H new ATOM 0 HB3 LYS A 154 7.831 12.418 -6.442 1.00 4.22 H new ATOM 0 HG2 LYS A 154 8.096 15.398 -5.871 1.00 71.42 H new ATOM 0 HG3 LYS A 154 8.876 14.113 -4.971 1.00 71.42 H new ATOM 0 HD2 LYS A 154 10.091 13.408 -7.037 1.00 24.25 H new ATOM 0 HD3 LYS A 154 9.316 14.700 -7.931 1.00 24.25 H new ATOM 0 HE2 LYS A 154 10.345 16.361 -6.335 1.00 31.51 H new ATOM 0 HE3 LYS A 154 11.190 15.040 -5.553 1.00 31.51 H new ATOM 0 HZ1 LYS A 154 12.591 16.138 -7.174 1.00 25.10 H new ATOM 0 HZ2 LYS A 154 12.293 14.537 -7.655 1.00 25.10 H new ATOM 0 HZ3 LYS A 154 11.474 15.817 -8.413 1.00 25.10 H new ATOM 136 N PRO A 155 6.196 11.497 -8.584 1.00 3.24 N ATOM 137 CA PRO A 155 5.301 10.345 -8.804 1.00 60.53 C ATOM 138 C PRO A 155 4.716 9.820 -7.482 1.00 71.31 C ATOM 139 O PRO A 155 5.456 9.422 -6.583 1.00 24.12 O ATOM 140 CB PRO A 155 6.220 9.297 -9.455 1.00 63.22 C ATOM 141 CG PRO A 155 7.601 9.687 -9.045 1.00 42.50 C ATOM 142 CD PRO A 155 7.594 11.190 -8.957 1.00 54.11 C ATOM 0 HA PRO A 155 4.437 10.599 -9.418 1.00 60.53 H new ATOM 0 HB2 PRO A 155 5.976 8.291 -9.113 1.00 63.22 H new ATOM 0 HB3 PRO A 155 6.115 9.299 -10.540 1.00 63.22 H new ATOM 0 HG2 PRO A 155 7.865 9.240 -8.086 1.00 42.50 H new ATOM 0 HG3 PRO A 155 8.337 9.341 -9.771 1.00 42.50 H new ATOM 0 HD2 PRO A 155 8.300 11.553 -8.210 1.00 54.11 H new ATOM 0 HD3 PRO A 155 7.869 11.651 -9.906 1.00 54.11 H new ATOM 150 N ILE A 156 3.391 9.824 -7.360 1.00 61.33 N ATOM 151 CA ILE A 156 2.733 9.449 -6.101 1.00 45.43 C ATOM 152 C ILE A 156 1.912 8.154 -6.218 1.00 63.43 C ATOM 153 O ILE A 156 1.560 7.707 -7.314 1.00 20.14 O ATOM 154 CB ILE A 156 1.795 10.573 -5.597 1.00 53.32 C ATOM 155 CG1 ILE A 156 0.677 10.840 -6.622 1.00 33.14 C ATOM 156 CG2 ILE A 156 2.588 11.849 -5.310 1.00 52.44 C ATOM 157 CD1 ILE A 156 -0.438 11.720 -6.093 1.00 73.31 C ATOM 0 H ILE A 156 2.750 10.081 -8.111 1.00 61.33 H new ATOM 0 HA ILE A 156 3.543 9.286 -5.390 1.00 45.43 H new ATOM 0 HB ILE A 156 1.333 10.246 -4.665 1.00 53.32 H new ATOM 0 HG12 ILE A 156 1.110 11.310 -7.505 1.00 33.14 H new ATOM 0 HG13 ILE A 156 0.255 9.887 -6.942 1.00 33.14 H new ATOM 0 HG21 ILE A 156 1.911 12.627 -4.957 1.00 52.44 H new ATOM 0 HG22 ILE A 156 3.338 11.647 -4.546 1.00 52.44 H new ATOM 0 HG23 ILE A 156 3.081 12.184 -6.223 1.00 52.44 H new ATOM 0 HD11 ILE A 156 -1.188 11.864 -6.871 1.00 73.31 H new ATOM 0 HD12 ILE A 156 -0.899 11.243 -5.228 1.00 73.31 H new ATOM 0 HD13 ILE A 156 -0.030 12.687 -5.799 1.00 73.31 H new ATOM 169 N VAL A 157 1.611 7.563 -5.062 1.00 2.24 N ATOM 170 CA VAL A 157 0.755 6.379 -4.974 1.00 11.35 C ATOM 171 C VAL A 157 -0.397 6.626 -3.983 1.00 1.42 C ATOM 172 O VAL A 157 -0.183 7.130 -2.876 1.00 52.14 O ATOM 173 CB VAL A 157 1.561 5.132 -4.523 1.00 60.15 C ATOM 174 CG1 VAL A 157 0.678 3.886 -4.508 1.00 73.12 C ATOM 175 CG2 VAL A 157 2.783 4.922 -5.418 1.00 74.24 C ATOM 0 H VAL A 157 1.954 7.891 -4.159 1.00 2.24 H new ATOM 0 HA VAL A 157 0.350 6.190 -5.968 1.00 11.35 H new ATOM 0 HB VAL A 157 1.911 5.308 -3.506 1.00 60.15 H new ATOM 0 HG11 VAL A 157 1.267 3.026 -4.188 1.00 73.12 H new ATOM 0 HG12 VAL A 157 -0.151 4.036 -3.816 1.00 73.12 H new ATOM 0 HG13 VAL A 157 0.286 3.706 -5.509 1.00 73.12 H new ATOM 0 HG21 VAL A 157 3.333 4.042 -5.083 1.00 74.24 H new ATOM 0 HG22 VAL A 157 2.459 4.776 -6.448 1.00 74.24 H new ATOM 0 HG23 VAL A 157 3.430 5.797 -5.362 1.00 74.24 H new ATOM 185 N ARG A 158 -1.614 6.270 -4.385 1.00 32.40 N ATOM 186 CA ARG A 158 -2.812 6.523 -3.573 1.00 23.40 C ATOM 187 C ARG A 158 -3.192 5.289 -2.736 1.00 34.12 C ATOM 188 O ARG A 158 -3.858 4.376 -3.220 1.00 45.30 O ATOM 189 CB ARG A 158 -3.975 6.932 -4.492 1.00 51.23 C ATOM 190 CG ARG A 158 -3.746 8.265 -5.206 1.00 5.41 C ATOM 191 CD ARG A 158 -4.755 8.502 -6.324 1.00 2.24 C ATOM 192 NE ARG A 158 -4.708 9.880 -6.815 1.00 53.13 N ATOM 193 CZ ARG A 158 -4.847 10.226 -8.067 1.00 42.41 C ATOM 194 NH1 ARG A 158 -5.019 9.334 -8.988 1.00 40.23 N ATOM 195 NH2 ARG A 158 -4.817 11.476 -8.395 1.00 2.23 N ATOM 0 H ARG A 158 -1.802 5.803 -5.272 1.00 32.40 H new ATOM 0 HA ARG A 158 -2.597 7.335 -2.878 1.00 23.40 H new ATOM 0 HB2 ARG A 158 -4.131 6.152 -5.237 1.00 51.23 H new ATOM 0 HB3 ARG A 158 -4.889 6.997 -3.902 1.00 51.23 H new ATOM 0 HG2 ARG A 158 -3.810 9.078 -4.483 1.00 5.41 H new ATOM 0 HG3 ARG A 158 -2.738 8.285 -5.619 1.00 5.41 H new ATOM 0 HD2 ARG A 158 -4.554 7.816 -7.147 1.00 2.24 H new ATOM 0 HD3 ARG A 158 -5.758 8.279 -5.961 1.00 2.24 H new ATOM 0 HE ARG A 158 -4.556 10.622 -6.132 1.00 53.13 H new ATOM 0 HH11 ARG A 158 -5.048 8.345 -8.741 1.00 40.23 H new ATOM 0 HH12 ARG A 158 -5.126 9.620 -9.961 1.00 40.23 H new ATOM 0 HH21 ARG A 158 -4.685 12.189 -7.677 1.00 2.23 H new ATOM 0 HH22 ARG A 158 -4.925 11.750 -9.372 1.00 2.23 H new ATOM 209 N VAL A 159 -2.762 5.263 -1.475 1.00 35.24 N ATOM 210 CA VAL A 159 -3.001 4.105 -0.605 1.00 54.24 C ATOM 211 C VAL A 159 -4.269 4.274 0.248 1.00 42.32 C ATOM 212 O VAL A 159 -4.363 5.184 1.072 1.00 43.42 O ATOM 213 CB VAL A 159 -1.801 3.848 0.338 1.00 31.44 C ATOM 214 CG1 VAL A 159 -2.024 2.575 1.155 1.00 41.04 C ATOM 215 CG2 VAL A 159 -0.493 3.774 -0.451 1.00 52.12 C ATOM 0 H VAL A 159 -2.249 6.025 -1.032 1.00 35.24 H new ATOM 0 HA VAL A 159 -3.133 3.252 -1.270 1.00 54.24 H new ATOM 0 HB VAL A 159 -1.724 4.686 1.031 1.00 31.44 H new ATOM 0 HG11 VAL A 159 -1.170 2.410 1.812 1.00 41.04 H new ATOM 0 HG12 VAL A 159 -2.928 2.681 1.754 1.00 41.04 H new ATOM 0 HG13 VAL A 159 -2.133 1.725 0.482 1.00 41.04 H new ATOM 0 HG21 VAL A 159 0.335 3.593 0.234 1.00 52.12 H new ATOM 0 HG22 VAL A 159 -0.550 2.961 -1.175 1.00 52.12 H new ATOM 0 HG23 VAL A 159 -0.331 4.716 -0.975 1.00 52.12 H new ATOM 225 N PHE A 160 -5.242 3.397 0.036 1.00 64.33 N ATOM 226 CA PHE A 160 -6.452 3.363 0.857 1.00 11.33 C ATOM 227 C PHE A 160 -6.293 2.392 2.037 1.00 52.35 C ATOM 228 O PHE A 160 -6.424 1.176 1.885 1.00 42.12 O ATOM 229 CB PHE A 160 -7.664 2.971 0.003 1.00 74.23 C ATOM 230 CG PHE A 160 -8.034 4.010 -1.028 1.00 51.44 C ATOM 231 CD1 PHE A 160 -7.434 4.019 -2.282 1.00 44.32 C ATOM 232 CD2 PHE A 160 -8.981 4.985 -0.739 1.00 34.04 C ATOM 233 CE1 PHE A 160 -7.773 4.976 -3.219 1.00 2.24 C ATOM 234 CE2 PHE A 160 -9.321 5.943 -1.675 1.00 53.42 C ATOM 235 CZ PHE A 160 -8.717 5.938 -2.916 1.00 24.02 C ATOM 0 H PHE A 160 -5.219 2.694 -0.702 1.00 64.33 H new ATOM 0 HA PHE A 160 -6.614 4.362 1.262 1.00 11.33 H new ATOM 0 HB2 PHE A 160 -7.453 2.028 -0.502 1.00 74.23 H new ATOM 0 HB3 PHE A 160 -8.519 2.798 0.657 1.00 74.23 H new ATOM 0 HD1 PHE A 160 -6.695 3.270 -2.526 1.00 44.32 H new ATOM 0 HD2 PHE A 160 -9.458 4.994 0.230 1.00 34.04 H new ATOM 0 HE1 PHE A 160 -7.299 4.972 -4.190 1.00 2.24 H new ATOM 0 HE2 PHE A 160 -10.059 6.695 -1.436 1.00 53.42 H new ATOM 0 HZ PHE A 160 -8.982 6.685 -3.649 1.00 24.02 H new ATOM 245 N LEU A 161 -6.003 2.950 3.207 1.00 11.01 N ATOM 246 CA LEU A 161 -5.825 2.165 4.432 1.00 23.12 C ATOM 247 C LEU A 161 -7.161 1.568 4.924 1.00 11.02 C ATOM 248 O LEU A 161 -8.238 2.019 4.520 1.00 33.22 O ATOM 249 CB LEU A 161 -5.205 3.057 5.521 1.00 13.45 C ATOM 250 CG LEU A 161 -3.803 3.606 5.205 1.00 53.23 C ATOM 251 CD1 LEU A 161 -3.328 4.550 6.308 1.00 71.43 C ATOM 252 CD2 LEU A 161 -2.810 2.464 4.998 1.00 71.10 C ATOM 0 H LEU A 161 -5.884 3.955 3.337 1.00 11.01 H new ATOM 0 HA LEU A 161 -5.157 1.332 4.214 1.00 23.12 H new ATOM 0 HB2 LEU A 161 -5.874 3.898 5.702 1.00 13.45 H new ATOM 0 HB3 LEU A 161 -5.153 2.486 6.448 1.00 13.45 H new ATOM 0 HG LEU A 161 -3.861 4.176 4.278 1.00 53.23 H new ATOM 0 HD11 LEU A 161 -2.335 4.926 6.063 1.00 71.43 H new ATOM 0 HD12 LEU A 161 -4.021 5.387 6.394 1.00 71.43 H new ATOM 0 HD13 LEU A 161 -3.289 4.012 7.255 1.00 71.43 H new ATOM 0 HD21 LEU A 161 -1.825 2.874 4.776 1.00 71.10 H new ATOM 0 HD22 LEU A 161 -2.756 1.860 5.904 1.00 71.10 H new ATOM 0 HD23 LEU A 161 -3.140 1.841 4.166 1.00 71.10 H new ATOM 264 N PRO A 162 -7.111 0.535 5.799 1.00 60.52 N ATOM 265 CA PRO A 162 -8.321 -0.120 6.331 1.00 64.34 C ATOM 266 C PRO A 162 -9.336 0.871 6.938 1.00 10.34 C ATOM 267 O PRO A 162 -8.971 1.952 7.406 1.00 41.23 O ATOM 268 CB PRO A 162 -7.779 -1.083 7.409 1.00 22.23 C ATOM 269 CG PRO A 162 -6.358 -0.674 7.633 1.00 34.51 C ATOM 270 CD PRO A 162 -5.887 -0.089 6.330 1.00 45.33 C ATOM 0 HA PRO A 162 -8.877 -0.621 5.539 1.00 64.34 H new ATOM 0 HB2 PRO A 162 -8.359 -1.008 8.329 1.00 22.23 H new ATOM 0 HB3 PRO A 162 -7.841 -2.119 7.077 1.00 22.23 H new ATOM 0 HG2 PRO A 162 -6.284 0.057 8.438 1.00 34.51 H new ATOM 0 HG3 PRO A 162 -5.746 -1.529 7.921 1.00 34.51 H new ATOM 0 HD2 PRO A 162 -5.091 0.641 6.477 1.00 45.33 H new ATOM 0 HD3 PRO A 162 -5.498 -0.855 5.659 1.00 45.33 H new ATOM 278 N ASN A 163 -10.614 0.479 6.924 1.00 4.13 N ATOM 279 CA ASN A 163 -11.716 1.332 7.394 1.00 64.02 C ATOM 280 C ASN A 163 -11.818 2.616 6.546 1.00 33.43 C ATOM 281 O ASN A 163 -11.968 3.724 7.069 1.00 71.22 O ATOM 282 CB ASN A 163 -11.562 1.658 8.895 1.00 22.22 C ATOM 283 CG ASN A 163 -12.859 2.147 9.531 1.00 31.13 C ATOM 284 OD1 ASN A 163 -13.685 2.792 8.892 1.00 64.12 O ATOM 285 ND2 ASN A 163 -13.058 1.832 10.798 1.00 35.21 N ATOM 0 H ASN A 163 -10.916 -0.436 6.588 1.00 4.13 H new ATOM 0 HA ASN A 163 -12.648 0.780 7.272 1.00 64.02 H new ATOM 0 HB2 ASN A 163 -11.218 0.768 9.422 1.00 22.22 H new ATOM 0 HB3 ASN A 163 -10.792 2.420 9.019 1.00 22.22 H new ATOM 0 HD21 ASN A 163 -13.914 2.126 11.268 1.00 35.21 H new ATOM 0 HD22 ASN A 163 -12.355 1.295 11.306 1.00 35.21 H new ATOM 292 N LYS A 164 -11.720 2.449 5.224 1.00 34.31 N ATOM 293 CA LYS A 164 -11.992 3.533 4.264 1.00 15.32 C ATOM 294 C LYS A 164 -11.044 4.740 4.429 1.00 53.24 C ATOM 295 O LYS A 164 -11.379 5.858 4.023 1.00 72.12 O ATOM 296 CB LYS A 164 -13.451 3.996 4.413 1.00 50.25 C ATOM 297 CG LYS A 164 -14.474 2.863 4.326 1.00 74.22 C ATOM 298 CD LYS A 164 -14.562 2.266 2.924 1.00 51.30 C ATOM 299 CE LYS A 164 -15.173 3.248 1.928 1.00 2.24 C ATOM 300 NZ LYS A 164 -16.497 3.747 2.383 1.00 2.24 N ATOM 0 H LYS A 164 -11.452 1.567 4.787 1.00 34.31 H new ATOM 0 HA LYS A 164 -11.817 3.128 3.267 1.00 15.32 H new ATOM 0 HB2 LYS A 164 -13.565 4.502 5.372 1.00 50.25 H new ATOM 0 HB3 LYS A 164 -13.670 4.730 3.637 1.00 50.25 H new ATOM 0 HG2 LYS A 164 -14.206 2.080 5.035 1.00 74.22 H new ATOM 0 HG3 LYS A 164 -15.454 3.238 4.620 1.00 74.22 H new ATOM 0 HD2 LYS A 164 -13.566 1.980 2.588 1.00 51.30 H new ATOM 0 HD3 LYS A 164 -15.162 1.357 2.953 1.00 51.30 H new ATOM 0 HE2 LYS A 164 -14.496 4.091 1.787 1.00 2.24 H new ATOM 0 HE3 LYS A 164 -15.282 2.761 0.959 1.00 2.24 H new ATOM 0 HZ1 LYS A 164 -17.144 3.805 1.571 1.00 2.24 H new ATOM 0 HZ2 LYS A 164 -16.889 3.095 3.092 1.00 2.24 H new ATOM 0 HZ3 LYS A 164 -16.386 4.691 2.805 1.00 2.24 H new ATOM 314 N GLN A 165 -9.864 4.521 5.000 1.00 64.41 N ATOM 315 CA GLN A 165 -8.880 5.601 5.174 1.00 10.13 C ATOM 316 C GLN A 165 -7.997 5.751 3.926 1.00 30.45 C ATOM 317 O GLN A 165 -7.865 4.820 3.136 1.00 64.44 O ATOM 318 CB GLN A 165 -8.009 5.340 6.411 1.00 44.34 C ATOM 319 CG GLN A 165 -8.789 5.295 7.720 1.00 52.40 C ATOM 320 CD GLN A 165 -9.609 6.552 7.962 1.00 22.13 C ATOM 321 OE1 GLN A 165 -9.126 7.533 8.522 1.00 3.24 O ATOM 322 NE2 GLN A 165 -10.863 6.525 7.558 1.00 11.35 N ATOM 0 H GLN A 165 -9.560 3.613 5.351 1.00 64.41 H new ATOM 0 HA GLN A 165 -9.427 6.533 5.318 1.00 10.13 H new ATOM 0 HB2 GLN A 165 -7.484 4.394 6.280 1.00 44.34 H new ATOM 0 HB3 GLN A 165 -7.250 6.119 6.479 1.00 44.34 H new ATOM 0 HG2 GLN A 165 -9.452 4.430 7.713 1.00 52.40 H new ATOM 0 HG3 GLN A 165 -8.093 5.156 8.547 1.00 52.40 H new ATOM 0 HE21 GLN A 165 -11.232 5.694 7.096 1.00 11.35 H new ATOM 0 HE22 GLN A 165 -11.464 7.335 7.707 1.00 11.35 H new ATOM 331 N ARG A 166 -7.397 6.928 3.745 1.00 0.41 N ATOM 332 CA ARG A 166 -6.557 7.195 2.575 1.00 25.13 C ATOM 333 C ARG A 166 -5.293 8.004 2.930 1.00 60.35 C ATOM 334 O ARG A 166 -5.314 8.867 3.808 1.00 2.50 O ATOM 335 CB ARG A 166 -7.376 7.963 1.531 1.00 55.12 C ATOM 336 CG ARG A 166 -6.598 8.303 0.267 1.00 53.11 C ATOM 337 CD ARG A 166 -7.304 9.367 -0.559 1.00 30.41 C ATOM 338 NE ARG A 166 -7.457 10.622 0.178 1.00 33.42 N ATOM 339 CZ ARG A 166 -6.706 11.678 0.002 1.00 74.54 C ATOM 340 NH1 ARG A 166 -5.740 11.668 -0.861 1.00 4.33 N ATOM 341 NH2 ARG A 166 -6.918 12.748 0.695 1.00 10.11 N ATOM 0 H ARG A 166 -7.476 7.712 4.393 1.00 0.41 H new ATOM 0 HA ARG A 166 -6.229 6.234 2.179 1.00 25.13 H new ATOM 0 HB2 ARG A 166 -8.249 7.370 1.260 1.00 55.12 H new ATOM 0 HB3 ARG A 166 -7.744 8.886 1.979 1.00 55.12 H new ATOM 0 HG2 ARG A 166 -5.601 8.653 0.536 1.00 53.11 H new ATOM 0 HG3 ARG A 166 -6.468 7.403 -0.334 1.00 53.11 H new ATOM 0 HD2 ARG A 166 -6.739 9.550 -1.473 1.00 30.41 H new ATOM 0 HD3 ARG A 166 -8.286 9.001 -0.859 1.00 30.41 H new ATOM 0 HE ARG A 166 -8.199 10.677 0.876 1.00 33.42 H new ATOM 0 HH11 ARG A 166 -5.558 10.830 -1.413 1.00 4.33 H new ATOM 0 HH12 ARG A 166 -5.162 12.498 -0.989 1.00 4.33 H new ATOM 0 HH21 ARG A 166 -7.672 12.770 1.381 1.00 10.11 H new ATOM 0 HH22 ARG A 166 -6.331 13.570 0.556 1.00 10.11 H new ATOM 355 N THR A 167 -4.201 7.710 2.228 1.00 64.33 N ATOM 356 CA THR A 167 -2.954 8.482 2.330 1.00 35.04 C ATOM 357 C THR A 167 -2.218 8.480 0.983 1.00 34.51 C ATOM 358 O THR A 167 -2.502 7.647 0.115 1.00 23.23 O ATOM 359 CB THR A 167 -2.009 7.931 3.432 1.00 52.22 C ATOM 360 OG1 THR A 167 -0.819 8.735 3.509 1.00 60.01 O ATOM 361 CG2 THR A 167 -1.632 6.475 3.165 1.00 43.34 C ATOM 0 H THR A 167 -4.150 6.931 1.571 1.00 64.33 H new ATOM 0 HA THR A 167 -3.231 9.500 2.604 1.00 35.04 H new ATOM 0 HB THR A 167 -2.541 7.976 4.382 1.00 52.22 H new ATOM 0 HG1 THR A 167 -0.230 8.381 4.208 1.00 60.01 H new ATOM 0 HG21 THR A 167 -0.970 6.120 3.955 1.00 43.34 H new ATOM 0 HG22 THR A 167 -2.534 5.863 3.145 1.00 43.34 H new ATOM 0 HG23 THR A 167 -1.123 6.401 2.204 1.00 43.34 H new ATOM 369 N VAL A 168 -1.289 9.413 0.796 1.00 31.23 N ATOM 370 CA VAL A 168 -0.548 9.524 -0.466 1.00 63.52 C ATOM 371 C VAL A 168 0.971 9.508 -0.224 1.00 63.32 C ATOM 372 O VAL A 168 1.512 10.372 0.471 1.00 0.11 O ATOM 373 CB VAL A 168 -0.932 10.818 -1.234 1.00 14.10 C ATOM 374 CG1 VAL A 168 -0.164 10.917 -2.551 1.00 71.34 C ATOM 375 CG2 VAL A 168 -2.442 10.884 -1.481 1.00 61.22 C ATOM 0 H VAL A 168 -1.028 10.105 1.499 1.00 31.23 H new ATOM 0 HA VAL A 168 -0.820 8.659 -1.071 1.00 63.52 H new ATOM 0 HB VAL A 168 -0.655 11.670 -0.613 1.00 14.10 H new ATOM 0 HG11 VAL A 168 -0.450 11.831 -3.071 1.00 71.34 H new ATOM 0 HG12 VAL A 168 0.907 10.935 -2.347 1.00 71.34 H new ATOM 0 HG13 VAL A 168 -0.400 10.055 -3.176 1.00 71.34 H new ATOM 0 HG21 VAL A 168 -2.683 11.800 -2.020 1.00 61.22 H new ATOM 0 HG22 VAL A 168 -2.752 10.023 -2.073 1.00 61.22 H new ATOM 0 HG23 VAL A 168 -2.968 10.876 -0.526 1.00 61.22 H new ATOM 385 N VAL A 169 1.655 8.528 -0.811 1.00 13.30 N ATOM 386 CA VAL A 169 3.108 8.387 -0.653 1.00 42.21 C ATOM 387 C VAL A 169 3.831 8.448 -2.012 1.00 3.33 C ATOM 388 O VAL A 169 3.371 7.869 -2.994 1.00 1.15 O ATOM 389 CB VAL A 169 3.472 7.061 0.069 1.00 30.23 C ATOM 390 CG1 VAL A 169 2.971 7.073 1.513 1.00 43.22 C ATOM 391 CG2 VAL A 169 2.909 5.856 -0.687 1.00 31.33 C ATOM 0 H VAL A 169 1.228 7.816 -1.403 1.00 13.30 H new ATOM 0 HA VAL A 169 3.441 9.225 -0.041 1.00 42.21 H new ATOM 0 HB VAL A 169 4.558 6.975 0.086 1.00 30.23 H new ATOM 0 HG11 VAL A 169 3.238 6.134 1.998 1.00 43.22 H new ATOM 0 HG12 VAL A 169 3.430 7.903 2.051 1.00 43.22 H new ATOM 0 HG13 VAL A 169 1.887 7.191 1.521 1.00 43.22 H new ATOM 0 HG21 VAL A 169 3.177 4.939 -0.162 1.00 31.33 H new ATOM 0 HG22 VAL A 169 1.824 5.937 -0.744 1.00 31.33 H new ATOM 0 HG23 VAL A 169 3.325 5.832 -1.694 1.00 31.33 H new ATOM 401 N PRO A 170 4.962 9.174 -2.091 1.00 71.01 N ATOM 402 CA PRO A 170 5.745 9.288 -3.335 1.00 21.32 C ATOM 403 C PRO A 170 6.539 8.008 -3.667 1.00 20.20 C ATOM 404 O PRO A 170 7.327 7.518 -2.851 1.00 41.14 O ATOM 405 CB PRO A 170 6.686 10.464 -3.043 1.00 43.33 C ATOM 406 CG PRO A 170 6.858 10.450 -1.559 1.00 12.33 C ATOM 407 CD PRO A 170 5.556 9.952 -0.985 1.00 72.14 C ATOM 0 HA PRO A 170 5.109 9.438 -4.207 1.00 21.32 H new ATOM 0 HB2 PRO A 170 7.641 10.344 -3.554 1.00 43.33 H new ATOM 0 HB3 PRO A 170 6.259 11.407 -3.384 1.00 43.33 H new ATOM 0 HG2 PRO A 170 7.684 9.800 -1.270 1.00 12.33 H new ATOM 0 HG3 PRO A 170 7.091 11.447 -1.185 1.00 12.33 H new ATOM 0 HD2 PRO A 170 5.718 9.334 -0.102 1.00 72.14 H new ATOM 0 HD3 PRO A 170 4.910 10.776 -0.683 1.00 72.14 H new ATOM 415 N ALA A 171 6.344 7.491 -4.879 1.00 61.44 N ATOM 416 CA ALA A 171 6.980 6.242 -5.308 1.00 23.54 C ATOM 417 C ALA A 171 8.492 6.403 -5.513 1.00 32.44 C ATOM 418 O ALA A 171 8.993 7.512 -5.714 1.00 31.14 O ATOM 419 CB ALA A 171 6.326 5.733 -6.588 1.00 54.41 C ATOM 0 H ALA A 171 5.747 7.919 -5.587 1.00 61.44 H new ATOM 0 HA ALA A 171 6.836 5.512 -4.511 1.00 23.54 H new ATOM 0 HB1 ALA A 171 6.806 4.805 -6.898 1.00 54.41 H new ATOM 0 HB2 ALA A 171 5.267 5.551 -6.408 1.00 54.41 H new ATOM 0 HB3 ALA A 171 6.437 6.479 -7.375 1.00 54.41 H new ATOM 425 N ARG A 172 9.210 5.282 -5.468 1.00 61.32 N ATOM 426 CA ARG A 172 10.675 5.285 -5.534 1.00 11.51 C ATOM 427 C ARG A 172 11.234 3.872 -5.767 1.00 65.44 C ATOM 428 O ARG A 172 10.546 2.871 -5.553 1.00 13.30 O ATOM 429 CB ARG A 172 11.249 5.876 -4.238 1.00 70.52 C ATOM 430 CG ARG A 172 10.644 5.276 -2.972 1.00 14.14 C ATOM 431 CD ARG A 172 10.879 6.165 -1.758 1.00 41.21 C ATOM 432 NE ARG A 172 10.196 7.449 -1.898 1.00 24.03 N ATOM 433 CZ ARG A 172 10.642 8.577 -1.419 1.00 73.12 C ATOM 434 NH1 ARG A 172 11.754 8.625 -0.756 1.00 10.13 N ATOM 435 NH2 ARG A 172 9.970 9.661 -1.605 1.00 22.11 N ATOM 0 H ARG A 172 8.799 4.352 -5.385 1.00 61.32 H new ATOM 0 HA ARG A 172 10.976 5.901 -6.381 1.00 11.51 H new ATOM 0 HB2 ARG A 172 12.328 5.720 -4.224 1.00 70.52 H new ATOM 0 HB3 ARG A 172 11.082 6.953 -4.235 1.00 70.52 H new ATOM 0 HG2 ARG A 172 9.573 5.130 -3.114 1.00 14.14 H new ATOM 0 HG3 ARG A 172 11.078 4.293 -2.792 1.00 14.14 H new ATOM 0 HD2 ARG A 172 10.525 5.659 -0.860 1.00 41.21 H new ATOM 0 HD3 ARG A 172 11.948 6.332 -1.629 1.00 41.21 H new ATOM 0 HE ARG A 172 9.311 7.464 -2.404 1.00 24.03 H new ATOM 0 HH11 ARG A 172 12.293 7.773 -0.603 1.00 10.13 H new ATOM 0 HH12 ARG A 172 12.090 9.515 -0.387 1.00 10.13 H new ATOM 0 HH21 ARG A 172 9.093 9.634 -2.125 1.00 22.11 H new ATOM 0 HH22 ARG A 172 10.315 10.545 -1.232 1.00 22.11 H new ATOM 449 N CYS A 173 12.487 3.799 -6.208 1.00 63.02 N ATOM 450 CA CYS A 173 13.141 2.512 -6.482 1.00 12.01 C ATOM 451 C CYS A 173 13.973 2.041 -5.281 1.00 12.05 C ATOM 452 O CYS A 173 14.424 2.852 -4.473 1.00 35.01 O ATOM 453 CB CYS A 173 14.038 2.617 -7.719 1.00 15.21 C ATOM 454 SG CYS A 173 14.925 1.093 -8.106 1.00 50.44 S ATOM 0 H CYS A 173 13.074 4.614 -6.385 1.00 63.02 H new ATOM 0 HA CYS A 173 12.356 1.779 -6.667 1.00 12.01 H new ATOM 0 HB2 CYS A 173 13.427 2.899 -8.577 1.00 15.21 H new ATOM 0 HB3 CYS A 173 14.761 3.418 -7.565 1.00 15.21 H new ATOM 0 HG CYS A 173 15.655 1.273 -9.166 1.00 50.44 H new ATOM 460 N GLY A 174 14.170 0.726 -5.171 1.00 1.44 N ATOM 461 CA GLY A 174 14.919 0.163 -4.050 1.00 32.13 C ATOM 462 C GLY A 174 14.215 0.338 -2.705 1.00 60.23 C ATOM 463 O GLY A 174 14.842 0.238 -1.646 1.00 23.14 O ATOM 0 H GLY A 174 13.824 0.037 -5.839 1.00 1.44 H new ATOM 0 HA2 GLY A 174 15.085 -0.899 -4.230 1.00 32.13 H new ATOM 0 HA3 GLY A 174 15.900 0.636 -4.003 1.00 32.13 H new ATOM 467 N VAL A 175 12.911 0.601 -2.749 1.00 72.12 N ATOM 468 CA VAL A 175 12.103 0.802 -1.541 1.00 64.43 C ATOM 469 C VAL A 175 10.805 -0.015 -1.621 1.00 54.14 C ATOM 470 O VAL A 175 10.031 0.121 -2.572 1.00 4.53 O ATOM 471 CB VAL A 175 11.738 2.296 -1.344 1.00 33.33 C ATOM 472 CG1 VAL A 175 10.996 2.506 -0.022 1.00 51.23 C ATOM 473 CG2 VAL A 175 12.980 3.191 -1.425 1.00 51.21 C ATOM 0 H VAL A 175 12.383 0.681 -3.618 1.00 72.12 H new ATOM 0 HA VAL A 175 12.703 0.469 -0.694 1.00 64.43 H new ATOM 0 HB VAL A 175 11.071 2.584 -2.157 1.00 33.33 H new ATOM 0 HG11 VAL A 175 10.751 3.562 0.094 1.00 51.23 H new ATOM 0 HG12 VAL A 175 10.078 1.918 -0.023 1.00 51.23 H new ATOM 0 HG13 VAL A 175 11.630 2.188 0.806 1.00 51.23 H new ATOM 0 HG21 VAL A 175 12.688 4.232 -1.283 1.00 51.21 H new ATOM 0 HG22 VAL A 175 13.687 2.903 -0.648 1.00 51.21 H new ATOM 0 HG23 VAL A 175 13.448 3.076 -2.402 1.00 51.21 H new ATOM 483 N THR A 176 10.566 -0.852 -0.621 1.00 22.02 N ATOM 484 CA THR A 176 9.385 -1.723 -0.608 1.00 61.54 C ATOM 485 C THR A 176 8.143 -0.984 -0.092 1.00 5.34 C ATOM 486 O THR A 176 8.254 0.022 0.618 1.00 41.21 O ATOM 487 CB THR A 176 9.614 -2.964 0.290 1.00 64.21 C ATOM 488 OG1 THR A 176 9.656 -2.567 1.669 1.00 45.42 O ATOM 489 CG2 THR A 176 10.916 -3.675 -0.073 1.00 23.12 C ATOM 0 H THR A 176 11.170 -0.951 0.195 1.00 22.02 H new ATOM 0 HA THR A 176 9.222 -2.034 -1.640 1.00 61.54 H new ATOM 0 HB THR A 176 8.786 -3.655 0.129 1.00 64.21 H new ATOM 0 HG1 THR A 176 10.587 -2.431 1.942 1.00 45.42 H new ATOM 0 HG21 THR A 176 11.050 -4.542 0.574 1.00 23.12 H new ATOM 0 HG22 THR A 176 10.875 -4.001 -1.112 1.00 23.12 H new ATOM 0 HG23 THR A 176 11.754 -2.990 0.060 1.00 23.12 H new ATOM 497 N VAL A 177 6.958 -1.487 -0.444 1.00 43.21 N ATOM 498 CA VAL A 177 5.701 -0.957 0.105 1.00 21.12 C ATOM 499 C VAL A 177 5.736 -1.005 1.639 1.00 33.43 C ATOM 500 O VAL A 177 5.228 -0.116 2.325 1.00 73.33 O ATOM 501 CB VAL A 177 4.480 -1.765 -0.402 1.00 55.02 C ATOM 502 CG1 VAL A 177 3.171 -1.166 0.110 1.00 13.24 C ATOM 503 CG2 VAL A 177 4.485 -1.847 -1.928 1.00 2.21 C ATOM 0 H VAL A 177 6.839 -2.256 -1.103 1.00 43.21 H new ATOM 0 HA VAL A 177 5.600 0.075 -0.232 1.00 21.12 H new ATOM 0 HB VAL A 177 4.557 -2.778 -0.006 1.00 55.02 H new ATOM 0 HG11 VAL A 177 2.332 -1.754 -0.262 1.00 13.24 H new ATOM 0 HG12 VAL A 177 3.167 -1.178 1.200 1.00 13.24 H new ATOM 0 HG13 VAL A 177 3.079 -0.139 -0.242 1.00 13.24 H new ATOM 0 HG21 VAL A 177 3.620 -2.418 -2.265 1.00 2.21 H new ATOM 0 HG22 VAL A 177 4.441 -0.842 -2.347 1.00 2.21 H new ATOM 0 HG23 VAL A 177 5.398 -2.340 -2.263 1.00 2.21 H new ATOM 513 N ARG A 178 6.368 -2.056 2.153 1.00 4.43 N ATOM 514 CA ARG A 178 6.571 -2.246 3.591 1.00 65.40 C ATOM 515 C ARG A 178 7.307 -1.046 4.216 1.00 72.23 C ATOM 516 O ARG A 178 6.827 -0.433 5.170 1.00 5.34 O ATOM 517 CB ARG A 178 7.385 -3.527 3.812 1.00 65.30 C ATOM 518 CG ARG A 178 7.488 -3.967 5.267 1.00 1.11 C ATOM 519 CD ARG A 178 8.705 -4.861 5.490 1.00 35.54 C ATOM 520 NE ARG A 178 9.946 -4.204 5.073 1.00 25.01 N ATOM 521 CZ ARG A 178 10.987 -4.833 4.598 1.00 55.04 C ATOM 522 NH1 ARG A 178 10.984 -6.121 4.474 1.00 14.43 N ATOM 523 NH2 ARG A 178 12.034 -4.170 4.239 1.00 2.24 N ATOM 0 H ARG A 178 6.757 -2.806 1.582 1.00 4.43 H new ATOM 0 HA ARG A 178 5.598 -2.328 4.074 1.00 65.40 H new ATOM 0 HB2 ARG A 178 6.935 -4.333 3.233 1.00 65.30 H new ATOM 0 HB3 ARG A 178 8.390 -3.376 3.419 1.00 65.30 H new ATOM 0 HG2 ARG A 178 7.555 -3.090 5.911 1.00 1.11 H new ATOM 0 HG3 ARG A 178 6.583 -4.503 5.552 1.00 1.11 H new ATOM 0 HD2 ARG A 178 8.772 -5.128 6.545 1.00 35.54 H new ATOM 0 HD3 ARG A 178 8.581 -5.790 4.933 1.00 35.54 H new ATOM 0 HE ARG A 178 10.001 -3.189 5.159 1.00 25.01 H new ATOM 0 HH11 ARG A 178 10.161 -6.658 4.749 1.00 14.43 H new ATOM 0 HH12 ARG A 178 11.804 -6.599 4.101 1.00 14.43 H new ATOM 0 HH21 ARG A 178 12.049 -3.154 4.326 1.00 2.24 H new ATOM 0 HH22 ARG A 178 12.847 -4.662 3.868 1.00 2.24 H new ATOM 537 N ASP A 179 8.472 -0.713 3.656 1.00 31.33 N ATOM 538 CA ASP A 179 9.294 0.393 4.165 1.00 13.12 C ATOM 539 C ASP A 179 8.694 1.764 3.800 1.00 42.02 C ATOM 540 O ASP A 179 9.117 2.797 4.321 1.00 22.24 O ATOM 541 CB ASP A 179 10.726 0.278 3.628 1.00 45.32 C ATOM 542 CG ASP A 179 11.354 -1.066 3.949 1.00 64.12 C ATOM 543 OD1 ASP A 179 11.296 -1.494 5.123 1.00 71.01 O ATOM 544 OD2 ASP A 179 11.906 -1.706 3.033 1.00 23.33 O ATOM 0 H ASP A 179 8.870 -1.193 2.849 1.00 31.33 H new ATOM 0 HA ASP A 179 9.312 0.321 5.252 1.00 13.12 H new ATOM 0 HB2 ASP A 179 10.720 0.425 2.548 1.00 45.32 H new ATOM 0 HB3 ASP A 179 11.337 1.073 4.055 1.00 45.32 H new ATOM 549 N SER A 180 7.719 1.769 2.898 1.00 63.43 N ATOM 550 CA SER A 180 7.002 3.000 2.539 1.00 30.33 C ATOM 551 C SER A 180 5.884 3.298 3.548 1.00 62.32 C ATOM 552 O SER A 180 5.751 4.423 4.036 1.00 4.21 O ATOM 553 CB SER A 180 6.412 2.893 1.124 1.00 33.30 C ATOM 554 OG SER A 180 7.431 2.732 0.149 1.00 51.52 O ATOM 0 H SER A 180 7.403 0.938 2.399 1.00 63.43 H new ATOM 0 HA SER A 180 7.720 3.820 2.561 1.00 30.33 H new ATOM 0 HB2 SER A 180 5.725 2.048 1.078 1.00 33.30 H new ATOM 0 HB3 SER A 180 5.832 3.788 0.901 1.00 33.30 H new ATOM 0 HG SER A 180 7.802 1.827 0.210 1.00 51.52 H new ATOM 560 N LEU A 181 5.094 2.278 3.878 1.00 11.02 N ATOM 561 CA LEU A 181 3.970 2.434 4.812 1.00 44.34 C ATOM 562 C LEU A 181 4.386 2.188 6.273 1.00 21.31 C ATOM 563 O LEU A 181 3.543 2.216 7.173 1.00 50.45 O ATOM 564 CB LEU A 181 2.826 1.483 4.423 1.00 42.01 C ATOM 565 CG LEU A 181 2.190 1.749 3.045 1.00 21.15 C ATOM 566 CD1 LEU A 181 1.071 0.747 2.759 1.00 12.24 C ATOM 567 CD2 LEU A 181 1.665 3.184 2.953 1.00 54.33 C ATOM 0 H LEU A 181 5.208 1.332 3.514 1.00 11.02 H new ATOM 0 HA LEU A 181 3.630 3.467 4.741 1.00 44.34 H new ATOM 0 HB2 LEU A 181 3.204 0.461 4.440 1.00 42.01 H new ATOM 0 HB3 LEU A 181 2.047 1.547 5.183 1.00 42.01 H new ATOM 0 HG LEU A 181 2.964 1.621 2.288 1.00 21.15 H new ATOM 0 HD11 LEU A 181 0.637 0.955 1.781 1.00 12.24 H new ATOM 0 HD12 LEU A 181 1.477 -0.264 2.768 1.00 12.24 H new ATOM 0 HD13 LEU A 181 0.299 0.835 3.524 1.00 12.24 H new ATOM 0 HD21 LEU A 181 1.221 3.347 1.971 1.00 54.33 H new ATOM 0 HD22 LEU A 181 0.911 3.346 3.723 1.00 54.33 H new ATOM 0 HD23 LEU A 181 2.489 3.883 3.099 1.00 54.33 H new ATOM 579 N LYS A 182 5.684 1.976 6.512 1.00 22.13 N ATOM 580 CA LYS A 182 6.197 1.742 7.874 1.00 55.42 C ATOM 581 C LYS A 182 5.797 2.874 8.838 1.00 61.44 C ATOM 582 O LYS A 182 5.698 2.668 10.049 1.00 64.12 O ATOM 583 CB LYS A 182 7.726 1.580 7.855 1.00 73.21 C ATOM 584 CG LYS A 182 8.492 2.844 7.463 1.00 13.20 C ATOM 585 CD LYS A 182 9.997 2.595 7.364 1.00 21.21 C ATOM 586 CE LYS A 182 10.611 2.195 8.703 1.00 74.32 C ATOM 587 NZ LYS A 182 10.571 3.305 9.692 1.00 40.14 N ATOM 0 H LYS A 182 6.400 1.961 5.786 1.00 22.13 H new ATOM 0 HA LYS A 182 5.745 0.819 8.237 1.00 55.42 H new ATOM 0 HB2 LYS A 182 8.057 1.261 8.843 1.00 73.21 H new ATOM 0 HB3 LYS A 182 7.986 0.782 7.159 1.00 73.21 H new ATOM 0 HG2 LYS A 182 8.121 3.210 6.505 1.00 13.20 H new ATOM 0 HG3 LYS A 182 8.302 3.626 8.198 1.00 13.20 H new ATOM 0 HD2 LYS A 182 10.185 1.809 6.632 1.00 21.21 H new ATOM 0 HD3 LYS A 182 10.488 3.496 6.997 1.00 21.21 H new ATOM 0 HE2 LYS A 182 10.076 1.334 9.104 1.00 74.32 H new ATOM 0 HE3 LYS A 182 11.644 1.885 8.549 1.00 74.32 H new ATOM 0 HZ1 LYS A 182 11.088 3.024 10.550 1.00 40.14 H new ATOM 0 HZ2 LYS A 182 11.015 4.151 9.282 1.00 40.14 H new ATOM 0 HZ3 LYS A 182 9.583 3.516 9.937 1.00 40.14 H new ATOM 601 N LYS A 183 5.580 4.070 8.297 1.00 12.03 N ATOM 602 CA LYS A 183 5.099 5.203 9.092 1.00 10.11 C ATOM 603 C LYS A 183 3.570 5.182 9.237 1.00 61.24 C ATOM 604 O LYS A 183 3.043 5.254 10.348 1.00 43.53 O ATOM 605 CB LYS A 183 5.550 6.528 8.459 1.00 2.40 C ATOM 606 CG LYS A 183 7.048 6.800 8.590 1.00 70.30 C ATOM 607 CD LYS A 183 7.477 6.875 10.055 1.00 70.13 C ATOM 608 CE LYS A 183 8.954 7.214 10.208 1.00 70.34 C ATOM 609 NZ LYS A 183 9.275 8.578 9.705 1.00 34.43 N ATOM 0 H LYS A 183 5.729 4.283 7.311 1.00 12.03 H new ATOM 0 HA LYS A 183 5.532 5.115 10.089 1.00 10.11 H new ATOM 0 HB2 LYS A 183 5.283 6.524 7.402 1.00 2.40 H new ATOM 0 HB3 LYS A 183 5.000 7.347 8.923 1.00 2.40 H new ATOM 0 HG2 LYS A 183 7.607 6.012 8.086 1.00 70.30 H new ATOM 0 HG3 LYS A 183 7.294 7.736 8.089 1.00 70.30 H new ATOM 0 HD2 LYS A 183 6.879 7.628 10.568 1.00 70.13 H new ATOM 0 HD3 LYS A 183 7.273 5.920 10.540 1.00 70.13 H new ATOM 0 HE2 LYS A 183 9.234 7.141 11.259 1.00 70.34 H new ATOM 0 HE3 LYS A 183 9.551 6.480 9.667 1.00 70.34 H new ATOM 0 HZ1 LYS A 183 10.246 8.830 9.981 1.00 34.43 H new ATOM 0 HZ2 LYS A 183 9.195 8.594 8.668 1.00 34.43 H new ATOM 0 HZ3 LYS A 183 8.609 9.264 10.114 1.00 34.43 H new ATOM 623 N ALA A 184 2.869 5.076 8.106 1.00 43.42 N ATOM 624 CA ALA A 184 1.397 5.072 8.083 1.00 65.51 C ATOM 625 C ALA A 184 0.806 4.020 9.036 1.00 21.24 C ATOM 626 O ALA A 184 -0.176 4.277 9.735 1.00 0.24 O ATOM 627 CB ALA A 184 0.904 4.834 6.659 1.00 24.25 C ATOM 0 H ALA A 184 3.298 4.991 7.184 1.00 43.42 H new ATOM 0 HA ALA A 184 1.056 6.048 8.430 1.00 65.51 H new ATOM 0 HB1 ALA A 184 -0.186 4.832 6.647 1.00 24.25 H new ATOM 0 HB2 ALA A 184 1.273 5.628 6.009 1.00 24.25 H new ATOM 0 HB3 ALA A 184 1.273 3.872 6.302 1.00 24.25 H new ATOM 633 N LEU A 185 1.415 2.839 9.062 1.00 22.00 N ATOM 634 CA LEU A 185 0.979 1.760 9.954 1.00 1.23 C ATOM 635 C LEU A 185 1.313 2.073 11.421 1.00 14.14 C ATOM 636 O LEU A 185 0.437 2.058 12.287 1.00 32.15 O ATOM 637 CB LEU A 185 1.638 0.436 9.547 1.00 43.42 C ATOM 638 CG LEU A 185 1.338 -0.040 8.117 1.00 34.33 C ATOM 639 CD1 LEU A 185 2.063 -1.353 7.827 1.00 20.25 C ATOM 640 CD2 LEU A 185 -0.168 -0.189 7.896 1.00 3.24 C ATOM 0 H LEU A 185 2.215 2.600 8.475 1.00 22.00 H new ATOM 0 HA LEU A 185 -0.104 1.672 9.861 1.00 1.23 H new ATOM 0 HB2 LEU A 185 2.717 0.538 9.658 1.00 43.42 H new ATOM 0 HB3 LEU A 185 1.318 -0.339 10.244 1.00 43.42 H new ATOM 0 HG LEU A 185 1.705 0.715 7.422 1.00 34.33 H new ATOM 0 HD11 LEU A 185 1.839 -1.675 6.810 1.00 20.25 H new ATOM 0 HD12 LEU A 185 3.138 -1.206 7.933 1.00 20.25 H new ATOM 0 HD13 LEU A 185 1.730 -2.116 8.531 1.00 20.25 H new ATOM 0 HD21 LEU A 185 -0.354 -0.527 6.877 1.00 3.24 H new ATOM 0 HD22 LEU A 185 -0.568 -0.919 8.599 1.00 3.24 H new ATOM 0 HD23 LEU A 185 -0.656 0.773 8.054 1.00 3.24 H new ATOM 652 N MET A 186 2.584 2.377 11.684 1.00 23.35 N ATOM 653 CA MET A 186 3.075 2.582 13.055 1.00 71.43 C ATOM 654 C MET A 186 2.299 3.686 13.796 1.00 23.44 C ATOM 655 O MET A 186 1.955 3.530 14.969 1.00 42.41 O ATOM 656 CB MET A 186 4.573 2.919 13.033 1.00 35.04 C ATOM 657 CG MET A 186 5.224 2.929 14.412 1.00 64.53 C ATOM 658 SD MET A 186 5.127 1.330 15.246 1.00 11.51 S ATOM 659 CE MET A 186 5.944 0.265 14.056 1.00 41.01 C ATOM 0 H MET A 186 3.299 2.488 10.965 1.00 23.35 H new ATOM 0 HA MET A 186 2.914 1.651 13.598 1.00 71.43 H new ATOM 0 HB2 MET A 186 5.089 2.194 12.403 1.00 35.04 H new ATOM 0 HB3 MET A 186 4.709 3.897 12.571 1.00 35.04 H new ATOM 0 HG2 MET A 186 6.270 3.218 14.312 1.00 64.53 H new ATOM 0 HG3 MET A 186 4.742 3.686 15.031 1.00 64.53 H new ATOM 0 HE1 MET A 186 6.278 -0.646 14.552 1.00 41.01 H new ATOM 0 HE2 MET A 186 5.247 0.009 13.258 1.00 41.01 H new ATOM 0 HE3 MET A 186 6.804 0.784 13.633 1.00 41.01 H new ATOM 669 N MET A 187 2.009 4.792 13.109 1.00 45.52 N ATOM 670 CA MET A 187 1.289 5.919 13.727 1.00 20.24 C ATOM 671 C MET A 187 -0.164 5.550 14.092 1.00 45.41 C ATOM 672 O MET A 187 -0.821 6.262 14.849 1.00 74.34 O ATOM 673 CB MET A 187 1.315 7.151 12.809 1.00 61.04 C ATOM 674 CG MET A 187 0.633 6.948 11.462 1.00 51.35 C ATOM 675 SD MET A 187 0.787 8.391 10.382 1.00 52.13 S ATOM 676 CE MET A 187 2.571 8.533 10.255 1.00 63.51 C ATOM 0 H MET A 187 2.257 4.936 12.130 1.00 45.52 H new ATOM 0 HA MET A 187 1.808 6.160 14.655 1.00 20.24 H new ATOM 0 HB2 MET A 187 0.834 7.983 13.324 1.00 61.04 H new ATOM 0 HB3 MET A 187 2.352 7.439 12.637 1.00 61.04 H new ATOM 0 HG2 MET A 187 1.067 6.079 10.966 1.00 51.35 H new ATOM 0 HG3 MET A 187 -0.423 6.729 11.622 1.00 51.35 H new ATOM 0 HE1 MET A 187 2.918 9.345 10.894 1.00 63.51 H new ATOM 0 HE2 MET A 187 3.034 7.599 10.573 1.00 63.51 H new ATOM 0 HE3 MET A 187 2.847 8.742 9.221 1.00 63.51 H new ATOM 686 N ARG A 188 -0.661 4.443 13.539 1.00 14.40 N ATOM 687 CA ARG A 188 -1.993 3.921 13.889 1.00 13.51 C ATOM 688 C ARG A 188 -1.894 2.610 14.691 1.00 74.34 C ATOM 689 O ARG A 188 -2.906 1.974 14.990 1.00 72.31 O ATOM 690 CB ARG A 188 -2.825 3.691 12.620 1.00 2.23 C ATOM 691 CG ARG A 188 -3.189 4.972 11.878 1.00 55.44 C ATOM 692 CD ARG A 188 -4.128 4.700 10.705 1.00 63.14 C ATOM 693 NE ARG A 188 -5.322 3.956 11.119 1.00 42.52 N ATOM 694 CZ ARG A 188 -6.549 4.393 11.008 1.00 43.30 C ATOM 695 NH1 ARG A 188 -6.798 5.583 10.565 1.00 1.11 N ATOM 696 NH2 ARG A 188 -7.531 3.638 11.373 1.00 24.23 N ATOM 0 H ARG A 188 -0.164 3.886 12.845 1.00 14.40 H new ATOM 0 HA ARG A 188 -2.484 4.666 14.515 1.00 13.51 H new ATOM 0 HB2 ARG A 188 -2.269 3.038 11.947 1.00 2.23 H new ATOM 0 HB3 ARG A 188 -3.741 3.166 12.889 1.00 2.23 H new ATOM 0 HG2 ARG A 188 -3.662 5.670 12.568 1.00 55.44 H new ATOM 0 HG3 ARG A 188 -2.281 5.451 11.513 1.00 55.44 H new ATOM 0 HD2 ARG A 188 -4.428 5.646 10.254 1.00 63.14 H new ATOM 0 HD3 ARG A 188 -3.597 4.136 9.938 1.00 63.14 H new ATOM 0 HE ARG A 188 -5.185 3.030 11.523 1.00 42.52 H new ATOM 0 HH11 ARG A 188 -6.030 6.198 10.295 1.00 1.11 H new ATOM 0 HH12 ARG A 188 -7.762 5.906 10.485 1.00 1.11 H new ATOM 0 HH21 ARG A 188 -7.347 2.706 11.745 1.00 24.23 H new ATOM 0 HH22 ARG A 188 -8.491 3.973 11.289 1.00 24.23 H new ATOM 710 N GLY A 189 -0.667 2.215 15.033 1.00 75.33 N ATOM 711 CA GLY A 189 -0.443 0.972 15.767 1.00 73.41 C ATOM 712 C GLY A 189 -0.785 -0.278 14.955 1.00 42.34 C ATOM 713 O GLY A 189 -1.280 -1.269 15.500 1.00 54.23 O ATOM 0 H GLY A 189 0.182 2.736 14.814 1.00 75.33 H new ATOM 0 HA2 GLY A 189 0.601 0.923 16.075 1.00 73.41 H new ATOM 0 HA3 GLY A 189 -1.043 0.982 16.677 1.00 73.41 H new ATOM 717 N LEU A 190 -0.523 -0.229 13.653 1.00 72.43 N ATOM 718 CA LEU A 190 -0.814 -1.349 12.750 1.00 53.11 C ATOM 719 C LEU A 190 0.472 -2.077 12.320 1.00 62.15 C ATOM 720 O LEU A 190 1.571 -1.528 12.402 1.00 54.51 O ATOM 721 CB LEU A 190 -1.563 -0.845 11.507 1.00 74.30 C ATOM 722 CG LEU A 190 -2.929 -0.188 11.775 1.00 21.43 C ATOM 723 CD1 LEU A 190 -3.542 0.333 10.476 1.00 23.54 C ATOM 724 CD2 LEU A 190 -3.875 -1.175 12.462 1.00 64.03 C ATOM 0 H LEU A 190 -0.106 0.580 13.192 1.00 72.43 H new ATOM 0 HA LEU A 190 -1.440 -2.057 13.292 1.00 53.11 H new ATOM 0 HB2 LEU A 190 -0.929 -0.125 10.990 1.00 74.30 H new ATOM 0 HB3 LEU A 190 -1.711 -1.685 10.828 1.00 74.30 H new ATOM 0 HG LEU A 190 -2.776 0.660 12.442 1.00 21.43 H new ATOM 0 HD11 LEU A 190 -4.507 0.793 10.688 1.00 23.54 H new ATOM 0 HD12 LEU A 190 -2.877 1.073 10.031 1.00 23.54 H new ATOM 0 HD13 LEU A 190 -3.680 -0.495 9.781 1.00 23.54 H new ATOM 0 HD21 LEU A 190 -4.835 -0.692 12.643 1.00 64.03 H new ATOM 0 HD22 LEU A 190 -4.021 -2.045 11.822 1.00 64.03 H new ATOM 0 HD23 LEU A 190 -3.443 -1.492 13.411 1.00 64.03 H new ATOM 736 N ILE A 191 0.314 -3.317 11.860 1.00 45.33 N ATOM 737 CA ILE A 191 1.437 -4.139 11.388 1.00 12.00 C ATOM 738 C ILE A 191 1.092 -4.821 10.050 1.00 33.13 C ATOM 739 O ILE A 191 -0.078 -5.094 9.780 1.00 22.24 O ATOM 740 CB ILE A 191 1.814 -5.226 12.434 1.00 44.31 C ATOM 741 CG1 ILE A 191 0.588 -6.093 12.783 1.00 53.13 C ATOM 742 CG2 ILE A 191 2.410 -4.586 13.687 1.00 33.24 C ATOM 743 CD1 ILE A 191 0.874 -7.183 13.797 1.00 70.42 C ATOM 0 H ILE A 191 -0.592 -3.783 11.802 1.00 45.33 H new ATOM 0 HA ILE A 191 2.289 -3.474 11.245 1.00 12.00 H new ATOM 0 HB ILE A 191 2.572 -5.876 11.997 1.00 44.31 H new ATOM 0 HG12 ILE A 191 -0.202 -5.449 13.170 1.00 53.13 H new ATOM 0 HG13 ILE A 191 0.207 -6.551 11.870 1.00 53.13 H new ATOM 0 HG21 ILE A 191 2.667 -5.364 14.406 1.00 33.24 H new ATOM 0 HG22 ILE A 191 3.308 -4.029 13.419 1.00 33.24 H new ATOM 0 HG23 ILE A 191 1.681 -3.908 14.131 1.00 33.24 H new ATOM 0 HD11 ILE A 191 -0.037 -7.749 13.990 1.00 70.42 H new ATOM 0 HD12 ILE A 191 1.640 -7.852 13.406 1.00 70.42 H new ATOM 0 HD13 ILE A 191 1.225 -6.733 14.726 1.00 70.42 H new ATOM 755 N PRO A 192 2.099 -5.113 9.197 1.00 70.33 N ATOM 756 CA PRO A 192 1.873 -5.764 7.885 1.00 3.33 C ATOM 757 C PRO A 192 1.027 -7.050 7.980 1.00 64.32 C ATOM 758 O PRO A 192 0.234 -7.351 7.092 1.00 51.10 O ATOM 759 CB PRO A 192 3.297 -6.085 7.404 1.00 10.33 C ATOM 760 CG PRO A 192 4.156 -5.067 8.075 1.00 40.42 C ATOM 761 CD PRO A 192 3.530 -4.827 9.426 1.00 1.41 C ATOM 0 HA PRO A 192 1.308 -5.121 7.210 1.00 3.33 H new ATOM 0 HB2 PRO A 192 3.591 -7.097 7.681 1.00 10.33 H new ATOM 0 HB3 PRO A 192 3.374 -6.017 6.319 1.00 10.33 H new ATOM 0 HG2 PRO A 192 5.180 -5.426 8.177 1.00 40.42 H new ATOM 0 HG3 PRO A 192 4.197 -4.146 7.494 1.00 40.42 H new ATOM 0 HD2 PRO A 192 3.954 -5.482 10.187 1.00 1.41 H new ATOM 0 HD3 PRO A 192 3.686 -3.803 9.765 1.00 1.41 H new ATOM 769 N GLU A 193 1.195 -7.787 9.077 1.00 15.41 N ATOM 770 CA GLU A 193 0.457 -9.041 9.311 1.00 24.31 C ATOM 771 C GLU A 193 -1.060 -8.800 9.440 1.00 45.11 C ATOM 772 O GLU A 193 -1.868 -9.705 9.240 1.00 64.35 O ATOM 773 CB GLU A 193 0.981 -9.707 10.592 1.00 23.34 C ATOM 774 CG GLU A 193 2.498 -9.864 10.629 1.00 32.34 C ATOM 775 CD GLU A 193 3.002 -10.398 11.961 1.00 22.12 C ATOM 776 OE1 GLU A 193 2.956 -9.654 12.961 1.00 11.10 O ATOM 777 OE2 GLU A 193 3.448 -11.564 12.014 1.00 31.52 O ATOM 0 H GLU A 193 1.840 -7.540 9.827 1.00 15.41 H new ATOM 0 HA GLU A 193 0.618 -9.691 8.451 1.00 24.31 H new ATOM 0 HB2 GLU A 193 0.665 -9.117 11.452 1.00 23.34 H new ATOM 0 HB3 GLU A 193 0.521 -10.690 10.694 1.00 23.34 H new ATOM 0 HG2 GLU A 193 2.809 -10.539 9.831 1.00 32.34 H new ATOM 0 HG3 GLU A 193 2.964 -8.899 10.430 1.00 32.34 H new ATOM 784 N CYS A 194 -1.432 -7.568 9.779 1.00 21.11 N ATOM 785 CA CYS A 194 -2.839 -7.200 9.993 1.00 41.42 C ATOM 786 C CYS A 194 -3.472 -6.566 8.747 1.00 22.55 C ATOM 787 O CYS A 194 -4.683 -6.349 8.703 1.00 53.30 O ATOM 788 CB CYS A 194 -2.947 -6.225 11.175 1.00 63.45 C ATOM 789 SG CYS A 194 -4.595 -5.517 11.420 1.00 25.25 S ATOM 0 H CYS A 194 -0.776 -6.798 9.914 1.00 21.11 H new ATOM 0 HA CYS A 194 -3.385 -8.118 10.209 1.00 41.42 H new ATOM 0 HB2 CYS A 194 -2.650 -6.745 12.086 1.00 63.45 H new ATOM 0 HB3 CYS A 194 -2.236 -5.413 11.025 1.00 63.45 H new ATOM 0 HG CYS A 194 -5.282 -5.626 10.322 1.00 25.25 H new ATOM 795 N CYS A 195 -2.665 -6.292 7.723 1.00 11.25 N ATOM 796 CA CYS A 195 -3.142 -5.540 6.553 1.00 60.03 C ATOM 797 C CYS A 195 -2.696 -6.169 5.221 1.00 70.24 C ATOM 798 O CYS A 195 -1.521 -6.487 5.028 1.00 33.14 O ATOM 799 CB CYS A 195 -2.649 -4.093 6.637 1.00 44.04 C ATOM 800 SG CYS A 195 -3.287 -3.174 8.060 1.00 72.23 S ATOM 0 H CYS A 195 -1.686 -6.574 7.675 1.00 11.25 H new ATOM 0 HA CYS A 195 -4.231 -5.569 6.570 1.00 60.03 H new ATOM 0 HB2 CYS A 195 -1.560 -4.094 6.678 1.00 44.04 H new ATOM 0 HB3 CYS A 195 -2.933 -3.570 5.724 1.00 44.04 H new ATOM 0 HG CYS A 195 -2.812 -1.964 8.044 1.00 72.23 H new ATOM 806 N ALA A 196 -3.644 -6.328 4.300 1.00 45.04 N ATOM 807 CA ALA A 196 -3.364 -6.888 2.969 1.00 2.24 C ATOM 808 C ALA A 196 -3.514 -5.823 1.872 1.00 51.23 C ATOM 809 O ALA A 196 -4.548 -5.161 1.778 1.00 55.43 O ATOM 810 CB ALA A 196 -4.293 -8.063 2.682 1.00 4.32 C ATOM 0 H ALA A 196 -4.621 -6.076 4.448 1.00 45.04 H new ATOM 0 HA ALA A 196 -2.331 -7.237 2.966 1.00 2.24 H new ATOM 0 HB1 ALA A 196 -4.074 -8.467 1.694 1.00 4.32 H new ATOM 0 HB2 ALA A 196 -4.141 -8.839 3.433 1.00 4.32 H new ATOM 0 HB3 ALA A 196 -5.329 -7.724 2.714 1.00 4.32 H new ATOM 816 N VAL A 197 -2.481 -5.673 1.042 1.00 21.24 N ATOM 817 CA VAL A 197 -2.487 -4.689 -0.049 1.00 54.40 C ATOM 818 C VAL A 197 -2.816 -5.351 -1.402 1.00 43.42 C ATOM 819 O VAL A 197 -2.262 -6.398 -1.739 1.00 1.45 O ATOM 820 CB VAL A 197 -1.109 -3.984 -0.163 1.00 41.12 C ATOM 821 CG1 VAL A 197 -1.129 -2.902 -1.244 1.00 53.54 C ATOM 822 CG2 VAL A 197 -0.679 -3.401 1.184 1.00 32.00 C ATOM 0 H VAL A 197 -1.624 -6.222 1.103 1.00 21.24 H new ATOM 0 HA VAL A 197 -3.258 -3.956 0.188 1.00 54.40 H new ATOM 0 HB VAL A 197 -0.375 -4.735 -0.456 1.00 41.12 H new ATOM 0 HG11 VAL A 197 -0.150 -2.426 -1.300 1.00 53.54 H new ATOM 0 HG12 VAL A 197 -1.369 -3.354 -2.207 1.00 53.54 H new ATOM 0 HG13 VAL A 197 -1.882 -2.154 -0.996 1.00 53.54 H new ATOM 0 HG21 VAL A 197 0.290 -2.913 1.077 1.00 32.00 H new ATOM 0 HG22 VAL A 197 -1.418 -2.672 1.518 1.00 32.00 H new ATOM 0 HG23 VAL A 197 -0.602 -4.202 1.919 1.00 32.00 H new ATOM 832 N TYR A 198 -3.722 -4.745 -2.172 1.00 4.41 N ATOM 833 CA TYR A 198 -4.037 -5.232 -3.524 1.00 72.51 C ATOM 834 C TYR A 198 -4.528 -4.098 -4.440 1.00 50.02 C ATOM 835 O TYR A 198 -4.960 -3.040 -3.974 1.00 0.22 O ATOM 836 CB TYR A 198 -5.087 -6.357 -3.471 1.00 12.43 C ATOM 837 CG TYR A 198 -6.413 -5.949 -2.846 1.00 3.33 C ATOM 838 CD1 TYR A 198 -7.427 -5.379 -3.614 1.00 2.31 C ATOM 839 CD2 TYR A 198 -6.650 -6.142 -1.489 1.00 53.12 C ATOM 840 CE1 TYR A 198 -8.628 -5.008 -3.043 1.00 5.13 C ATOM 841 CE2 TYR A 198 -7.851 -5.774 -0.915 1.00 24.21 C ATOM 842 CZ TYR A 198 -8.837 -5.210 -1.695 1.00 61.23 C ATOM 843 OH TYR A 198 -10.035 -4.838 -1.123 1.00 14.03 O ATOM 0 H TYR A 198 -4.250 -3.920 -1.888 1.00 4.41 H new ATOM 0 HA TYR A 198 -3.113 -5.629 -3.944 1.00 72.51 H new ATOM 0 HB2 TYR A 198 -5.271 -6.714 -4.484 1.00 12.43 H new ATOM 0 HB3 TYR A 198 -4.676 -7.195 -2.908 1.00 12.43 H new ATOM 0 HD1 TYR A 198 -7.271 -5.225 -4.672 1.00 2.31 H new ATOM 0 HD2 TYR A 198 -5.882 -6.587 -0.874 1.00 53.12 H new ATOM 0 HE1 TYR A 198 -9.401 -4.561 -3.650 1.00 5.13 H new ATOM 0 HE2 TYR A 198 -8.017 -5.928 0.141 1.00 24.21 H new ATOM 0 HH TYR A 198 -10.277 -5.481 -0.424 1.00 14.03 H new ATOM 853 N ARG A 199 -4.457 -4.331 -5.750 1.00 64.32 N ATOM 854 CA ARG A 199 -4.942 -3.365 -6.748 1.00 53.32 C ATOM 855 C ARG A 199 -5.999 -4.009 -7.657 1.00 61.22 C ATOM 856 O ARG A 199 -6.032 -5.229 -7.813 1.00 54.13 O ATOM 857 CB ARG A 199 -3.775 -2.838 -7.599 1.00 33.34 C ATOM 858 CG ARG A 199 -3.025 -3.931 -8.360 1.00 40.44 C ATOM 859 CD ARG A 199 -1.874 -3.370 -9.194 1.00 10.22 C ATOM 860 NE ARG A 199 -2.337 -2.498 -10.275 1.00 21.44 N ATOM 861 CZ ARG A 199 -2.359 -2.840 -11.537 1.00 33.31 C ATOM 862 NH1 ARG A 199 -1.990 -4.026 -11.910 1.00 55.52 N ATOM 863 NH2 ARG A 199 -2.758 -1.990 -12.422 1.00 10.54 N ATOM 0 H ARG A 199 -4.067 -5.184 -6.151 1.00 64.32 H new ATOM 0 HA ARG A 199 -5.398 -2.530 -6.216 1.00 53.32 H new ATOM 0 HB2 ARG A 199 -4.158 -2.109 -8.313 1.00 33.34 H new ATOM 0 HB3 ARG A 199 -3.073 -2.312 -6.951 1.00 33.34 H new ATOM 0 HG2 ARG A 199 -2.635 -4.662 -7.652 1.00 40.44 H new ATOM 0 HG3 ARG A 199 -3.720 -4.459 -9.013 1.00 40.44 H new ATOM 0 HD2 ARG A 199 -1.198 -2.812 -8.546 1.00 10.22 H new ATOM 0 HD3 ARG A 199 -1.301 -4.195 -9.617 1.00 10.22 H new ATOM 0 HE ARG A 199 -2.663 -1.564 -10.028 1.00 21.44 H new ATOM 0 HH11 ARG A 199 -1.678 -4.705 -11.216 1.00 55.52 H new ATOM 0 HH12 ARG A 199 -2.012 -4.280 -12.898 1.00 55.52 H new ATOM 0 HH21 ARG A 199 -3.054 -1.057 -12.136 1.00 10.54 H new ATOM 0 HH22 ARG A 199 -2.777 -2.251 -13.408 1.00 10.54 H new ATOM 877 N ILE A 200 -6.862 -3.189 -8.252 1.00 13.54 N ATOM 878 CA ILE A 200 -7.892 -3.687 -9.173 1.00 42.22 C ATOM 879 C ILE A 200 -7.627 -3.207 -10.608 1.00 73.22 C ATOM 880 O ILE A 200 -7.578 -2.005 -10.872 1.00 34.20 O ATOM 881 CB ILE A 200 -9.309 -3.229 -8.741 1.00 30.23 C ATOM 882 CG1 ILE A 200 -9.598 -3.661 -7.292 1.00 63.54 C ATOM 883 CG2 ILE A 200 -10.368 -3.792 -9.691 1.00 31.22 C ATOM 884 CD1 ILE A 200 -10.934 -3.182 -6.763 1.00 1.42 C ATOM 0 H ILE A 200 -6.872 -2.178 -8.116 1.00 13.54 H new ATOM 0 HA ILE A 200 -7.846 -4.776 -9.140 1.00 42.22 H new ATOM 0 HB ILE A 200 -9.348 -2.141 -8.789 1.00 30.23 H new ATOM 0 HG12 ILE A 200 -9.564 -4.749 -7.234 1.00 63.54 H new ATOM 0 HG13 ILE A 200 -8.806 -3.283 -6.646 1.00 63.54 H new ATOM 0 HG21 ILE A 200 -11.356 -3.460 -9.372 1.00 31.22 H new ATOM 0 HG22 ILE A 200 -10.175 -3.436 -10.703 1.00 31.22 H new ATOM 0 HG23 ILE A 200 -10.329 -4.881 -9.675 1.00 31.22 H new ATOM 0 HD11 ILE A 200 -11.064 -3.527 -5.737 1.00 1.42 H new ATOM 0 HD12 ILE A 200 -10.965 -2.093 -6.787 1.00 1.42 H new ATOM 0 HD13 ILE A 200 -11.736 -3.582 -7.384 1.00 1.42 H new ATOM 896 N GLN A 201 -7.459 -4.147 -11.536 1.00 0.32 N ATOM 897 CA GLN A 201 -7.186 -3.813 -12.936 1.00 13.11 C ATOM 898 C GLN A 201 -8.133 -4.565 -13.881 1.00 33.11 C ATOM 899 O GLN A 201 -8.110 -5.798 -13.951 1.00 53.23 O ATOM 900 CB GLN A 201 -5.728 -4.139 -13.284 1.00 63.23 C ATOM 901 CG GLN A 201 -5.323 -3.729 -14.696 1.00 72.20 C ATOM 902 CD GLN A 201 -3.880 -4.071 -15.013 1.00 32.13 C ATOM 903 OE1 GLN A 201 -2.974 -3.278 -14.779 1.00 25.04 O ATOM 904 NE2 GLN A 201 -3.652 -5.258 -15.537 1.00 35.33 N ATOM 0 H GLN A 201 -7.507 -5.148 -11.345 1.00 0.32 H new ATOM 0 HA GLN A 201 -7.355 -2.744 -13.066 1.00 13.11 H new ATOM 0 HB2 GLN A 201 -5.074 -3.639 -12.569 1.00 63.23 H new ATOM 0 HB3 GLN A 201 -5.568 -5.211 -13.167 1.00 63.23 H new ATOM 0 HG2 GLN A 201 -5.976 -4.224 -15.415 1.00 72.20 H new ATOM 0 HG3 GLN A 201 -5.473 -2.656 -14.815 1.00 72.20 H new ATOM 0 HE21 GLN A 201 -4.429 -5.893 -15.719 1.00 35.33 H new ATOM 0 HE22 GLN A 201 -2.698 -5.542 -15.761 1.00 35.33 H new ATOM 913 N ASP A 202 -8.967 -3.809 -14.596 1.00 4.15 N ATOM 914 CA ASP A 202 -9.921 -4.366 -15.564 1.00 3.33 C ATOM 915 C ASP A 202 -10.961 -5.270 -14.865 1.00 73.01 C ATOM 916 O ASP A 202 -11.465 -6.233 -15.445 1.00 12.50 O ATOM 917 CB ASP A 202 -9.173 -5.129 -16.675 1.00 4.30 C ATOM 918 CG ASP A 202 -9.970 -5.200 -17.969 1.00 42.12 C ATOM 919 OD1 ASP A 202 -10.785 -6.127 -18.133 1.00 21.30 O ATOM 920 OD2 ASP A 202 -9.788 -4.314 -18.832 1.00 23.50 O ATOM 0 H ASP A 202 -9.002 -2.792 -14.522 1.00 4.15 H new ATOM 0 HA ASP A 202 -10.465 -3.541 -16.024 1.00 3.33 H new ATOM 0 HB2 ASP A 202 -8.217 -4.641 -16.867 1.00 4.30 H new ATOM 0 HB3 ASP A 202 -8.952 -6.140 -16.332 1.00 4.30 H new ATOM 925 N GLY A 203 -11.284 -4.939 -13.616 1.00 42.01 N ATOM 926 CA GLY A 203 -12.308 -5.675 -12.877 1.00 31.51 C ATOM 927 C GLY A 203 -11.755 -6.747 -11.938 1.00 31.14 C ATOM 928 O GLY A 203 -12.443 -7.169 -11.004 1.00 30.24 O ATOM 0 H GLY A 203 -10.855 -4.172 -13.098 1.00 42.01 H new ATOM 0 HA2 GLY A 203 -12.899 -4.968 -12.295 1.00 31.51 H new ATOM 0 HA3 GLY A 203 -12.986 -6.146 -13.589 1.00 31.51 H new ATOM 932 N GLU A 204 -10.523 -7.194 -12.176 1.00 64.13 N ATOM 933 CA GLU A 204 -9.915 -8.247 -11.349 1.00 43.01 C ATOM 934 C GLU A 204 -8.906 -7.684 -10.337 1.00 65.04 C ATOM 935 O GLU A 204 -8.329 -6.613 -10.536 1.00 3.53 O ATOM 936 CB GLU A 204 -9.238 -9.305 -12.230 1.00 53.23 C ATOM 937 CG GLU A 204 -10.202 -10.048 -13.147 1.00 12.51 C ATOM 938 CD GLU A 204 -9.541 -11.211 -13.867 1.00 20.42 C ATOM 939 OE1 GLU A 204 -8.754 -10.965 -14.808 1.00 63.10 O ATOM 940 OE2 GLU A 204 -9.796 -12.375 -13.492 1.00 52.11 O ATOM 0 H GLU A 204 -9.926 -6.849 -12.928 1.00 64.13 H new ATOM 0 HA GLU A 204 -10.724 -8.711 -10.785 1.00 43.01 H new ATOM 0 HB2 GLU A 204 -8.472 -8.823 -12.837 1.00 53.23 H new ATOM 0 HB3 GLU A 204 -8.730 -10.027 -11.590 1.00 53.23 H new ATOM 0 HG2 GLU A 204 -11.043 -10.419 -12.561 1.00 12.51 H new ATOM 0 HG3 GLU A 204 -10.607 -9.353 -13.882 1.00 12.51 H new ATOM 947 N LYS A 205 -8.694 -8.431 -9.255 1.00 72.45 N ATOM 948 CA LYS A 205 -7.809 -8.015 -8.158 1.00 50.11 C ATOM 949 C LYS A 205 -6.456 -8.747 -8.185 1.00 1.42 C ATOM 950 O LYS A 205 -6.397 -9.964 -8.364 1.00 61.31 O ATOM 951 CB LYS A 205 -8.497 -8.297 -6.821 1.00 54.15 C ATOM 952 CG LYS A 205 -9.701 -7.408 -6.538 1.00 71.51 C ATOM 953 CD LYS A 205 -10.623 -7.994 -5.464 1.00 33.42 C ATOM 954 CE LYS A 205 -9.864 -8.514 -4.240 1.00 44.45 C ATOM 955 NZ LYS A 205 -9.325 -9.891 -4.446 1.00 32.10 N ATOM 0 H LYS A 205 -9.129 -9.342 -9.110 1.00 72.45 H new ATOM 0 HA LYS A 205 -7.614 -6.950 -8.282 1.00 50.11 H new ATOM 0 HB2 LYS A 205 -8.817 -9.339 -6.802 1.00 54.15 H new ATOM 0 HB3 LYS A 205 -7.771 -8.172 -6.018 1.00 54.15 H new ATOM 0 HG2 LYS A 205 -9.356 -6.425 -6.219 1.00 71.51 H new ATOM 0 HG3 LYS A 205 -10.267 -7.264 -7.459 1.00 71.51 H new ATOM 0 HD2 LYS A 205 -11.333 -7.230 -5.147 1.00 33.42 H new ATOM 0 HD3 LYS A 205 -11.204 -8.808 -5.897 1.00 33.42 H new ATOM 0 HE2 LYS A 205 -9.042 -7.836 -4.011 1.00 44.45 H new ATOM 0 HE3 LYS A 205 -10.529 -8.513 -3.376 1.00 44.45 H new ATOM 0 HZ1 LYS A 205 -9.519 -10.470 -3.604 1.00 32.10 H new ATOM 0 HZ2 LYS A 205 -9.781 -10.322 -5.275 1.00 32.10 H new ATOM 0 HZ3 LYS A 205 -8.298 -9.842 -4.603 1.00 32.10 H new ATOM 969 N LYS A 206 -5.377 -7.997 -7.972 1.00 64.33 N ATOM 970 CA LYS A 206 -4.027 -8.570 -7.857 1.00 64.41 C ATOM 971 C LYS A 206 -3.415 -8.281 -6.473 1.00 64.25 C ATOM 972 O LYS A 206 -3.193 -7.118 -6.119 1.00 72.10 O ATOM 973 CB LYS A 206 -3.108 -8.015 -8.957 1.00 54.03 C ATOM 974 CG LYS A 206 -3.411 -8.550 -10.355 1.00 73.21 C ATOM 975 CD LYS A 206 -3.279 -10.074 -10.417 1.00 44.33 C ATOM 976 CE LYS A 206 -3.317 -10.588 -11.850 1.00 4.14 C ATOM 977 NZ LYS A 206 -2.163 -10.090 -12.646 1.00 51.30 N ATOM 0 H LYS A 206 -5.407 -6.982 -7.874 1.00 64.33 H new ATOM 0 HA LYS A 206 -4.116 -9.650 -7.977 1.00 64.41 H new ATOM 0 HB2 LYS A 206 -3.191 -6.928 -8.970 1.00 54.03 H new ATOM 0 HB3 LYS A 206 -2.074 -8.253 -8.705 1.00 54.03 H new ATOM 0 HG2 LYS A 206 -4.421 -8.260 -10.645 1.00 73.21 H new ATOM 0 HG3 LYS A 206 -2.730 -8.096 -11.074 1.00 73.21 H new ATOM 0 HD2 LYS A 206 -2.343 -10.377 -9.947 1.00 44.33 H new ATOM 0 HD3 LYS A 206 -4.086 -10.532 -9.845 1.00 44.33 H new ATOM 0 HE2 LYS A 206 -3.312 -11.678 -11.845 1.00 4.14 H new ATOM 0 HE3 LYS A 206 -4.247 -10.275 -12.324 1.00 4.14 H new ATOM 0 HZ1 LYS A 206 -2.036 -10.690 -13.486 1.00 51.30 H new ATOM 0 HZ2 LYS A 206 -2.344 -9.110 -12.945 1.00 51.30 H new ATOM 0 HZ3 LYS A 206 -1.301 -10.121 -12.065 1.00 51.30 H new ATOM 991 N PRO A 207 -3.144 -9.336 -5.670 1.00 13.50 N ATOM 992 CA PRO A 207 -2.528 -9.194 -4.334 1.00 31.35 C ATOM 993 C PRO A 207 -1.064 -8.716 -4.396 1.00 74.24 C ATOM 994 O PRO A 207 -0.208 -9.364 -5.006 1.00 3.21 O ATOM 995 CB PRO A 207 -2.608 -10.616 -3.738 1.00 2.11 C ATOM 996 CG PRO A 207 -3.561 -11.363 -4.617 1.00 55.41 C ATOM 997 CD PRO A 207 -3.429 -10.747 -5.981 1.00 21.34 C ATOM 0 HA PRO A 207 -3.042 -8.439 -3.738 1.00 31.35 H new ATOM 0 HB2 PRO A 207 -1.628 -11.093 -3.727 1.00 2.11 H new ATOM 0 HB3 PRO A 207 -2.962 -10.591 -2.707 1.00 2.11 H new ATOM 0 HG2 PRO A 207 -3.318 -12.425 -4.643 1.00 55.41 H new ATOM 0 HG3 PRO A 207 -4.583 -11.278 -4.247 1.00 55.41 H new ATOM 0 HD2 PRO A 207 -2.625 -11.206 -6.557 1.00 21.34 H new ATOM 0 HD3 PRO A 207 -4.342 -10.857 -6.566 1.00 21.34 H new ATOM 1005 N ILE A 208 -0.784 -7.585 -3.750 1.00 61.33 N ATOM 1006 CA ILE A 208 0.554 -6.988 -3.760 1.00 55.41 C ATOM 1007 C ILE A 208 1.308 -7.275 -2.452 1.00 14.12 C ATOM 1008 O ILE A 208 0.843 -6.940 -1.361 1.00 62.42 O ATOM 1009 CB ILE A 208 0.465 -5.456 -3.969 1.00 42.04 C ATOM 1010 CG1 ILE A 208 -0.345 -5.139 -5.239 1.00 65.22 C ATOM 1011 CG2 ILE A 208 1.865 -4.840 -4.049 1.00 53.03 C ATOM 1012 CD1 ILE A 208 -0.598 -3.661 -5.447 1.00 71.11 C ATOM 0 H ILE A 208 -1.470 -7.059 -3.209 1.00 61.33 H new ATOM 0 HA ILE A 208 1.103 -7.440 -4.586 1.00 55.41 H new ATOM 0 HB ILE A 208 -0.048 -5.017 -3.114 1.00 42.04 H new ATOM 0 HG12 ILE A 208 0.186 -5.533 -6.106 1.00 65.22 H new ATOM 0 HG13 ILE A 208 -1.302 -5.659 -5.188 1.00 65.22 H new ATOM 0 HG21 ILE A 208 1.781 -3.763 -4.196 1.00 53.03 H new ATOM 0 HG22 ILE A 208 2.403 -5.039 -3.122 1.00 53.03 H new ATOM 0 HG23 ILE A 208 2.408 -5.279 -4.886 1.00 53.03 H new ATOM 0 HD11 ILE A 208 -1.174 -3.516 -6.361 1.00 71.11 H new ATOM 0 HD12 ILE A 208 -1.157 -3.265 -4.599 1.00 71.11 H new ATOM 0 HD13 ILE A 208 0.354 -3.137 -5.531 1.00 71.11 H new ATOM 1024 N GLY A 209 2.479 -7.896 -2.569 1.00 62.34 N ATOM 1025 CA GLY A 209 3.291 -8.201 -1.399 1.00 14.21 C ATOM 1026 C GLY A 209 4.006 -6.978 -0.827 1.00 51.41 C ATOM 1027 O GLY A 209 4.439 -6.098 -1.574 1.00 64.22 O ATOM 0 H GLY A 209 2.883 -8.195 -3.457 1.00 62.34 H new ATOM 0 HA2 GLY A 209 2.656 -8.636 -0.627 1.00 14.21 H new ATOM 0 HA3 GLY A 209 4.032 -8.955 -1.665 1.00 14.21 H new ATOM 1031 N TRP A 210 4.155 -6.935 0.496 1.00 22.03 N ATOM 1032 CA TRP A 210 4.807 -5.811 1.171 1.00 34.30 C ATOM 1033 C TRP A 210 6.274 -5.653 0.736 1.00 54.23 C ATOM 1034 O TRP A 210 6.826 -4.552 0.759 1.00 41.21 O ATOM 1035 CB TRP A 210 4.727 -5.999 2.692 1.00 75.43 C ATOM 1036 CG TRP A 210 3.336 -5.855 3.243 1.00 73.02 C ATOM 1037 CD1 TRP A 210 2.408 -6.841 3.428 1.00 72.14 C ATOM 1038 CD2 TRP A 210 2.723 -4.642 3.686 1.00 43.12 C ATOM 1039 NE1 TRP A 210 1.258 -6.309 3.964 1.00 62.04 N ATOM 1040 CE2 TRP A 210 1.428 -4.962 4.129 1.00 45.02 C ATOM 1041 CE3 TRP A 210 3.148 -3.318 3.753 1.00 63.41 C ATOM 1042 CZ2 TRP A 210 0.555 -4.000 4.631 1.00 65.32 C ATOM 1043 CZ3 TRP A 210 2.286 -2.365 4.251 1.00 21.02 C ATOM 1044 CH2 TRP A 210 1.001 -2.709 4.686 1.00 14.04 C ATOM 0 H TRP A 210 3.831 -7.669 1.126 1.00 22.03 H new ATOM 0 HA TRP A 210 4.280 -4.901 0.885 1.00 34.30 H new ATOM 0 HB2 TRP A 210 5.110 -6.987 2.948 1.00 75.43 H new ATOM 0 HB3 TRP A 210 5.377 -5.270 3.175 1.00 75.43 H new ATOM 0 HD1 TRP A 210 2.556 -7.884 3.189 1.00 72.14 H new ATOM 0 HE1 TRP A 210 0.416 -6.834 4.200 1.00 62.04 H new ATOM 0 HE3 TRP A 210 4.138 -3.042 3.420 1.00 63.41 H new ATOM 0 HZ2 TRP A 210 -0.438 -4.264 4.965 1.00 65.32 H new ATOM 0 HZ3 TRP A 210 2.607 -1.335 4.307 1.00 21.02 H new ATOM 0 HH2 TRP A 210 0.349 -1.940 5.073 1.00 14.04 H new ATOM 1055 N ASP A 211 6.890 -6.761 0.332 1.00 75.32 N ATOM 1056 CA ASP A 211 8.292 -6.771 -0.100 1.00 20.44 C ATOM 1057 C ASP A 211 8.457 -6.176 -1.517 1.00 22.10 C ATOM 1058 O ASP A 211 9.574 -5.920 -1.970 1.00 12.30 O ATOM 1059 CB ASP A 211 8.820 -8.209 -0.057 1.00 23.34 C ATOM 1060 CG ASP A 211 10.334 -8.287 -0.158 1.00 71.31 C ATOM 1061 OD1 ASP A 211 11.012 -8.068 0.866 1.00 31.45 O ATOM 1062 OD2 ASP A 211 10.855 -8.590 -1.253 1.00 34.24 O ATOM 0 H ASP A 211 6.438 -7.674 0.293 1.00 75.32 H new ATOM 0 HA ASP A 211 8.869 -6.145 0.580 1.00 20.44 H new ATOM 0 HB2 ASP A 211 8.498 -8.681 0.871 1.00 23.34 H new ATOM 0 HB3 ASP A 211 8.377 -8.778 -0.874 1.00 23.34 H new ATOM 1067 N THR A 212 7.338 -5.952 -2.204 1.00 54.43 N ATOM 1068 CA THR A 212 7.355 -5.399 -3.567 1.00 0.22 C ATOM 1069 C THR A 212 7.801 -3.927 -3.577 1.00 75.21 C ATOM 1070 O THR A 212 7.375 -3.132 -2.736 1.00 23.11 O ATOM 1071 CB THR A 212 5.956 -5.498 -4.230 1.00 71.41 C ATOM 1072 OG1 THR A 212 5.514 -6.864 -4.260 1.00 42.33 O ATOM 1073 CG2 THR A 212 5.966 -4.946 -5.653 1.00 21.25 C ATOM 0 H THR A 212 6.404 -6.144 -1.842 1.00 54.43 H new ATOM 0 HA THR A 212 8.072 -5.994 -4.133 1.00 0.22 H new ATOM 0 HB THR A 212 5.271 -4.898 -3.630 1.00 71.41 H new ATOM 0 HG1 THR A 212 5.035 -7.071 -3.430 1.00 42.33 H new ATOM 0 HG21 THR A 212 4.969 -5.033 -6.084 1.00 21.25 H new ATOM 0 HG22 THR A 212 6.263 -3.898 -5.634 1.00 21.25 H new ATOM 0 HG23 THR A 212 6.673 -5.513 -6.258 1.00 21.25 H new ATOM 1081 N ASP A 213 8.659 -3.568 -4.533 1.00 60.45 N ATOM 1082 CA ASP A 213 9.109 -2.180 -4.680 1.00 21.43 C ATOM 1083 C ASP A 213 7.943 -1.253 -5.066 1.00 4.24 C ATOM 1084 O ASP A 213 7.249 -1.488 -6.058 1.00 25.14 O ATOM 1085 CB ASP A 213 10.218 -2.083 -5.734 1.00 4.44 C ATOM 1086 CG ASP A 213 11.465 -2.843 -5.331 1.00 70.10 C ATOM 1087 OD1 ASP A 213 11.498 -4.077 -5.522 1.00 50.42 O ATOM 1088 OD2 ASP A 213 12.417 -2.214 -4.824 1.00 34.03 O ATOM 0 H ASP A 213 9.056 -4.215 -5.215 1.00 60.45 H new ATOM 0 HA ASP A 213 9.502 -1.857 -3.716 1.00 21.43 H new ATOM 0 HB2 ASP A 213 9.849 -2.473 -6.683 1.00 4.44 H new ATOM 0 HB3 ASP A 213 10.471 -1.035 -5.896 1.00 4.44 H new ATOM 1093 N ILE A 214 7.750 -0.188 -4.292 1.00 75.35 N ATOM 1094 CA ILE A 214 6.660 0.770 -4.527 1.00 1.24 C ATOM 1095 C ILE A 214 6.742 1.402 -5.934 1.00 43.35 C ATOM 1096 O ILE A 214 5.751 1.911 -6.459 1.00 73.11 O ATOM 1097 CB ILE A 214 6.659 1.877 -3.439 1.00 43.14 C ATOM 1098 CG1 ILE A 214 5.469 2.837 -3.626 1.00 44.25 C ATOM 1099 CG2 ILE A 214 7.984 2.639 -3.439 1.00 64.13 C ATOM 1100 CD1 ILE A 214 5.382 3.927 -2.574 1.00 13.41 C ATOM 0 H ILE A 214 8.337 0.039 -3.489 1.00 75.35 H new ATOM 0 HA ILE A 214 5.724 0.215 -4.468 1.00 1.24 H new ATOM 0 HB ILE A 214 6.547 1.395 -2.468 1.00 43.14 H new ATOM 0 HG12 ILE A 214 5.541 3.301 -4.610 1.00 44.25 H new ATOM 0 HG13 ILE A 214 4.545 2.260 -3.613 1.00 44.25 H new ATOM 0 HG21 ILE A 214 7.960 3.410 -2.669 1.00 64.13 H new ATOM 0 HG22 ILE A 214 8.801 1.947 -3.235 1.00 64.13 H new ATOM 0 HG23 ILE A 214 8.136 3.104 -4.413 1.00 64.13 H new ATOM 0 HD11 ILE A 214 4.518 4.560 -2.777 1.00 13.41 H new ATOM 0 HD12 ILE A 214 5.277 3.474 -1.588 1.00 13.41 H new ATOM 0 HD13 ILE A 214 6.289 4.531 -2.600 1.00 13.41 H new ATOM 1112 N SER A 215 7.927 1.341 -6.545 1.00 10.41 N ATOM 1113 CA SER A 215 8.136 1.829 -7.924 1.00 33.45 C ATOM 1114 C SER A 215 7.121 1.228 -8.916 1.00 1.51 C ATOM 1115 O SER A 215 6.708 1.883 -9.877 1.00 62.33 O ATOM 1116 CB SER A 215 9.558 1.499 -8.398 1.00 0.55 C ATOM 1117 OG SER A 215 9.745 1.852 -9.761 1.00 65.21 O ATOM 0 H SER A 215 8.766 0.957 -6.109 1.00 10.41 H new ATOM 0 HA SER A 215 7.990 2.909 -7.902 1.00 33.45 H new ATOM 0 HB2 SER A 215 10.282 2.031 -7.780 1.00 0.55 H new ATOM 0 HB3 SER A 215 9.749 0.434 -8.267 1.00 0.55 H new ATOM 0 HG SER A 215 10.660 1.631 -10.033 1.00 65.21 H new ATOM 1123 N TRP A 216 6.722 -0.019 -8.675 1.00 71.20 N ATOM 1124 CA TRP A 216 5.749 -0.713 -9.534 1.00 11.02 C ATOM 1125 C TRP A 216 4.365 -0.044 -9.484 1.00 45.14 C ATOM 1126 O TRP A 216 3.596 -0.097 -10.446 1.00 12.31 O ATOM 1127 CB TRP A 216 5.598 -2.177 -9.087 1.00 31.34 C ATOM 1128 CG TRP A 216 6.837 -3.011 -9.230 1.00 73.14 C ATOM 1129 CD1 TRP A 216 8.095 -2.707 -8.798 1.00 70.41 C ATOM 1130 CD2 TRP A 216 6.922 -4.316 -9.819 1.00 51.34 C ATOM 1131 NE1 TRP A 216 8.957 -3.731 -9.096 1.00 64.32 N ATOM 1132 CE2 TRP A 216 8.261 -4.732 -9.720 1.00 4.11 C ATOM 1133 CE3 TRP A 216 5.995 -5.169 -10.419 1.00 21.41 C ATOM 1134 CZ2 TRP A 216 8.695 -5.963 -10.202 1.00 24.45 C ATOM 1135 CZ3 TRP A 216 6.425 -6.389 -10.898 1.00 33.32 C ATOM 1136 CH2 TRP A 216 7.765 -6.778 -10.786 1.00 61.30 C ATOM 0 H TRP A 216 7.056 -0.577 -7.889 1.00 71.20 H new ATOM 0 HA TRP A 216 6.128 -0.662 -10.555 1.00 11.02 H new ATOM 0 HB2 TRP A 216 5.285 -2.193 -8.043 1.00 31.34 H new ATOM 0 HB3 TRP A 216 4.798 -2.638 -9.666 1.00 31.34 H new ATOM 0 HD1 TRP A 216 8.372 -1.793 -8.294 1.00 70.41 H new ATOM 0 HE1 TRP A 216 9.955 -3.745 -8.887 1.00 64.32 H new ATOM 0 HE3 TRP A 216 4.958 -4.879 -10.507 1.00 21.41 H new ATOM 0 HZ2 TRP A 216 9.729 -6.264 -10.118 1.00 24.45 H new ATOM 0 HZ3 TRP A 216 5.716 -7.055 -11.367 1.00 33.32 H new ATOM 0 HH2 TRP A 216 8.070 -7.741 -11.168 1.00 61.30 H new ATOM 1147 N LEU A 217 4.065 0.592 -8.357 1.00 5.11 N ATOM 1148 CA LEU A 217 2.712 1.076 -8.060 1.00 64.05 C ATOM 1149 C LEU A 217 2.542 2.574 -8.362 1.00 4.22 C ATOM 1150 O LEU A 217 1.568 3.196 -7.936 1.00 4.31 O ATOM 1151 CB LEU A 217 2.409 0.788 -6.584 1.00 12.25 C ATOM 1152 CG LEU A 217 2.718 -0.655 -6.144 1.00 12.12 C ATOM 1153 CD1 LEU A 217 2.482 -0.839 -4.649 1.00 21.11 C ATOM 1154 CD2 LEU A 217 1.894 -1.654 -6.956 1.00 73.22 C ATOM 0 H LEU A 217 4.746 0.788 -7.623 1.00 5.11 H new ATOM 0 HA LEU A 217 2.008 0.552 -8.706 1.00 64.05 H new ATOM 0 HB2 LEU A 217 2.986 1.476 -5.966 1.00 12.25 H new ATOM 0 HB3 LEU A 217 1.356 0.996 -6.394 1.00 12.25 H new ATOM 0 HG LEU A 217 3.773 -0.847 -6.337 1.00 12.12 H new ATOM 0 HD11 LEU A 217 2.709 -1.868 -4.369 1.00 21.11 H new ATOM 0 HD12 LEU A 217 3.128 -0.160 -4.092 1.00 21.11 H new ATOM 0 HD13 LEU A 217 1.440 -0.621 -4.416 1.00 21.11 H new ATOM 0 HD21 LEU A 217 2.127 -2.668 -6.630 1.00 73.22 H new ATOM 0 HD22 LEU A 217 0.832 -1.459 -6.804 1.00 73.22 H new ATOM 0 HD23 LEU A 217 2.134 -1.549 -8.014 1.00 73.22 H new ATOM 1166 N THR A 218 3.485 3.142 -9.111 1.00 52.51 N ATOM 1167 CA THR A 218 3.446 4.568 -9.477 1.00 71.00 C ATOM 1168 C THR A 218 2.124 4.957 -10.168 1.00 4.12 C ATOM 1169 O THR A 218 1.869 4.581 -11.317 1.00 34.44 O ATOM 1170 CB THR A 218 4.631 4.935 -10.409 1.00 74.13 C ATOM 1171 OG1 THR A 218 5.880 4.646 -9.759 1.00 30.13 O ATOM 1172 CG2 THR A 218 4.596 6.411 -10.804 1.00 71.45 C ATOM 0 H THR A 218 4.292 2.639 -9.481 1.00 52.51 H new ATOM 0 HA THR A 218 3.524 5.127 -8.544 1.00 71.00 H new ATOM 0 HB THR A 218 4.537 4.334 -11.313 1.00 74.13 H new ATOM 0 HG1 THR A 218 6.089 3.694 -9.860 1.00 30.13 H new ATOM 0 HG21 THR A 218 5.440 6.633 -11.457 1.00 71.45 H new ATOM 0 HG22 THR A 218 3.665 6.625 -11.329 1.00 71.45 H new ATOM 0 HG23 THR A 218 4.658 7.029 -9.908 1.00 71.45 H new ATOM 1180 N GLY A 219 1.280 5.709 -9.456 1.00 34.31 N ATOM 1181 CA GLY A 219 0.014 6.177 -10.019 1.00 32.54 C ATOM 1182 C GLY A 219 -1.182 5.284 -9.685 1.00 70.45 C ATOM 1183 O GLY A 219 -2.324 5.643 -9.964 1.00 50.52 O ATOM 0 H GLY A 219 1.450 6.004 -8.495 1.00 34.31 H new ATOM 0 HA2 GLY A 219 -0.184 7.185 -9.653 1.00 32.54 H new ATOM 0 HA3 GLY A 219 0.113 6.245 -11.102 1.00 32.54 H new ATOM 1187 N GLU A 220 -0.925 4.127 -9.079 1.00 12.32 N ATOM 1188 CA GLU A 220 -1.995 3.171 -8.746 1.00 51.23 C ATOM 1189 C GLU A 220 -2.674 3.502 -7.407 1.00 51.34 C ATOM 1190 O GLU A 220 -2.150 4.270 -6.594 1.00 53.31 O ATOM 1191 CB GLU A 220 -1.436 1.740 -8.688 1.00 55.32 C ATOM 1192 CG GLU A 220 -0.947 1.202 -10.030 1.00 31.44 C ATOM 1193 CD GLU A 220 -2.036 1.184 -11.093 1.00 61.20 C ATOM 1194 OE1 GLU A 220 -2.971 0.357 -10.985 1.00 13.11 O ATOM 1195 OE2 GLU A 220 -1.959 1.987 -12.047 1.00 50.54 O ATOM 0 H GLU A 220 0.010 3.823 -8.806 1.00 12.32 H new ATOM 0 HA GLU A 220 -2.744 3.248 -9.534 1.00 51.23 H new ATOM 0 HB2 GLU A 220 -0.611 1.713 -7.977 1.00 55.32 H new ATOM 0 HB3 GLU A 220 -2.210 1.075 -8.304 1.00 55.32 H new ATOM 0 HG2 GLU A 220 -0.115 1.813 -10.380 1.00 31.44 H new ATOM 0 HG3 GLU A 220 -0.564 0.191 -9.893 1.00 31.44 H new ATOM 1202 N GLU A 221 -3.852 2.916 -7.193 1.00 24.31 N ATOM 1203 CA GLU A 221 -4.552 3.015 -5.911 1.00 14.23 C ATOM 1204 C GLU A 221 -4.464 1.685 -5.150 1.00 63.43 C ATOM 1205 O GLU A 221 -4.962 0.656 -5.613 1.00 41.55 O ATOM 1206 CB GLU A 221 -6.025 3.398 -6.116 1.00 64.30 C ATOM 1207 CG GLU A 221 -6.225 4.726 -6.838 1.00 14.25 C ATOM 1208 CD GLU A 221 -7.663 5.220 -6.781 1.00 72.42 C ATOM 1209 OE1 GLU A 221 -8.584 4.444 -7.118 1.00 31.41 O ATOM 1210 OE2 GLU A 221 -7.880 6.389 -6.393 1.00 52.23 O ATOM 0 H GLU A 221 -4.345 2.364 -7.895 1.00 24.31 H new ATOM 0 HA GLU A 221 -4.068 3.797 -5.325 1.00 14.23 H new ATOM 0 HB2 GLU A 221 -6.519 2.609 -6.683 1.00 64.30 H new ATOM 0 HB3 GLU A 221 -6.516 3.447 -5.144 1.00 64.30 H new ATOM 0 HG2 GLU A 221 -5.570 5.477 -6.395 1.00 14.25 H new ATOM 0 HG3 GLU A 221 -5.925 4.616 -7.880 1.00 14.25 H new ATOM 1217 N LEU A 222 -3.844 1.706 -3.977 1.00 64.12 N ATOM 1218 CA LEU A 222 -3.646 0.488 -3.192 1.00 30.54 C ATOM 1219 C LEU A 222 -4.784 0.294 -2.192 1.00 41.41 C ATOM 1220 O LEU A 222 -4.922 1.052 -1.236 1.00 60.15 O ATOM 1221 CB LEU A 222 -2.309 0.549 -2.443 1.00 65.11 C ATOM 1222 CG LEU A 222 -1.073 0.776 -3.322 1.00 34.00 C ATOM 1223 CD1 LEU A 222 0.201 0.709 -2.483 1.00 11.04 C ATOM 1224 CD2 LEU A 222 -1.034 -0.233 -4.469 1.00 22.12 C ATOM 0 H LEU A 222 -3.469 2.551 -3.546 1.00 64.12 H new ATOM 0 HA LEU A 222 -3.636 -0.358 -3.880 1.00 30.54 H new ATOM 0 HB2 LEU A 222 -2.361 1.350 -1.705 1.00 65.11 H new ATOM 0 HB3 LEU A 222 -2.177 -0.383 -1.893 1.00 65.11 H new ATOM 0 HG LEU A 222 -1.136 1.773 -3.757 1.00 34.00 H new ATOM 0 HD11 LEU A 222 1.068 0.872 -3.124 1.00 11.04 H new ATOM 0 HD12 LEU A 222 0.170 1.479 -1.712 1.00 11.04 H new ATOM 0 HD13 LEU A 222 0.276 -0.272 -2.014 1.00 11.04 H new ATOM 0 HD21 LEU A 222 -0.150 -0.055 -5.081 1.00 22.12 H new ATOM 0 HD22 LEU A 222 -0.997 -1.244 -4.063 1.00 22.12 H new ATOM 0 HD23 LEU A 222 -1.928 -0.121 -5.083 1.00 22.12 H new ATOM 1236 N HIS A 223 -5.595 -0.726 -2.412 1.00 72.22 N ATOM 1237 CA HIS A 223 -6.730 -1.005 -1.538 1.00 32.31 C ATOM 1238 C HIS A 223 -6.323 -1.988 -0.433 1.00 65.53 C ATOM 1239 O HIS A 223 -6.170 -3.182 -0.680 1.00 54.10 O ATOM 1240 CB HIS A 223 -7.889 -1.565 -2.366 1.00 21.41 C ATOM 1241 CG HIS A 223 -8.257 -0.691 -3.533 1.00 4.11 C ATOM 1242 ND1 HIS A 223 -9.033 0.443 -3.410 1.00 65.41 N ATOM 1243 CD2 HIS A 223 -7.927 -0.775 -4.848 1.00 21.14 C ATOM 1244 CE1 HIS A 223 -9.172 1.009 -4.594 1.00 44.54 C ATOM 1245 NE2 HIS A 223 -8.513 0.293 -5.478 1.00 15.21 N ATOM 0 H HIS A 223 -5.491 -1.378 -3.189 1.00 72.22 H new ATOM 0 HA HIS A 223 -7.054 -0.080 -1.062 1.00 32.31 H new ATOM 0 HB2 HIS A 223 -7.620 -2.556 -2.732 1.00 21.41 H new ATOM 0 HB3 HIS A 223 -8.761 -1.688 -1.723 1.00 21.41 H new ATOM 0 HD2 HIS A 223 -7.318 -1.538 -5.310 1.00 21.14 H new ATOM 0 HE1 HIS A 223 -9.732 1.909 -4.802 1.00 44.54 H new ATOM 0 HE2 HIS A 223 -8.448 0.499 -6.475 1.00 15.21 H new ATOM 1254 N VAL A 224 -6.116 -1.471 0.774 1.00 21.32 N ATOM 1255 CA VAL A 224 -5.672 -2.289 1.906 1.00 12.24 C ATOM 1256 C VAL A 224 -6.843 -2.688 2.824 1.00 74.32 C ATOM 1257 O VAL A 224 -7.568 -1.828 3.331 1.00 11.05 O ATOM 1258 CB VAL A 224 -4.602 -1.535 2.739 1.00 0.51 C ATOM 1259 CG1 VAL A 224 -4.030 -2.428 3.835 1.00 11.15 C ATOM 1260 CG2 VAL A 224 -3.491 -0.999 1.834 1.00 64.44 C ATOM 0 H VAL A 224 -6.248 -0.485 0.998 1.00 21.32 H new ATOM 0 HA VAL A 224 -5.239 -3.198 1.489 1.00 12.24 H new ATOM 0 HB VAL A 224 -5.087 -0.686 3.221 1.00 0.51 H new ATOM 0 HG11 VAL A 224 -3.283 -1.874 4.403 1.00 11.15 H new ATOM 0 HG12 VAL A 224 -4.832 -2.744 4.502 1.00 11.15 H new ATOM 0 HG13 VAL A 224 -3.566 -3.305 3.384 1.00 11.15 H new ATOM 0 HG21 VAL A 224 -2.751 -0.474 2.438 1.00 64.44 H new ATOM 0 HG22 VAL A 224 -3.012 -1.829 1.315 1.00 64.44 H new ATOM 0 HG23 VAL A 224 -3.917 -0.311 1.103 1.00 64.44 H new ATOM 1270 N GLU A 225 -7.029 -3.994 3.032 1.00 34.43 N ATOM 1271 CA GLU A 225 -8.069 -4.492 3.947 1.00 3.32 C ATOM 1272 C GLU A 225 -7.452 -5.236 5.146 1.00 72.21 C ATOM 1273 O GLU A 225 -6.236 -5.415 5.223 1.00 74.24 O ATOM 1274 CB GLU A 225 -9.072 -5.397 3.208 1.00 62.43 C ATOM 1275 CG GLU A 225 -8.479 -6.685 2.647 1.00 31.03 C ATOM 1276 CD GLU A 225 -9.544 -7.609 2.067 1.00 33.34 C ATOM 1277 OE1 GLU A 225 -9.963 -7.399 0.909 1.00 25.43 O ATOM 1278 OE2 GLU A 225 -9.980 -8.542 2.778 1.00 50.01 O ATOM 0 H GLU A 225 -6.478 -4.726 2.583 1.00 34.43 H new ATOM 0 HA GLU A 225 -8.608 -3.625 4.329 1.00 3.32 H new ATOM 0 HB2 GLU A 225 -9.881 -5.654 3.892 1.00 62.43 H new ATOM 0 HB3 GLU A 225 -9.515 -4.831 2.389 1.00 62.43 H new ATOM 0 HG2 GLU A 225 -7.753 -6.440 1.872 1.00 31.03 H new ATOM 0 HG3 GLU A 225 -7.939 -7.208 3.437 1.00 31.03 H new ATOM 1285 N VAL A 226 -8.301 -5.679 6.075 1.00 24.34 N ATOM 1286 CA VAL A 226 -7.834 -6.267 7.342 1.00 13.12 C ATOM 1287 C VAL A 226 -7.694 -7.799 7.270 1.00 72.12 C ATOM 1288 O VAL A 226 -8.543 -8.493 6.706 1.00 55.25 O ATOM 1289 CB VAL A 226 -8.797 -5.906 8.504 1.00 25.02 C ATOM 1290 CG1 VAL A 226 -8.277 -6.447 9.837 1.00 41.51 C ATOM 1291 CG2 VAL A 226 -9.014 -4.395 8.578 1.00 72.34 C ATOM 0 H VAL A 226 -9.316 -5.644 5.978 1.00 24.34 H new ATOM 0 HA VAL A 226 -6.847 -5.844 7.526 1.00 13.12 H new ATOM 0 HB VAL A 226 -9.758 -6.379 8.303 1.00 25.02 H new ATOM 0 HG11 VAL A 226 -8.971 -6.180 10.634 1.00 41.51 H new ATOM 0 HG12 VAL A 226 -8.190 -7.532 9.780 1.00 41.51 H new ATOM 0 HG13 VAL A 226 -7.299 -6.015 10.048 1.00 41.51 H new ATOM 0 HG21 VAL A 226 -9.692 -4.165 9.400 1.00 72.34 H new ATOM 0 HG22 VAL A 226 -8.059 -3.898 8.746 1.00 72.34 H new ATOM 0 HG23 VAL A 226 -9.446 -4.043 7.641 1.00 72.34 H new ATOM 1301 N LEU A 227 -6.609 -8.318 7.848 1.00 52.25 N ATOM 1302 CA LEU A 227 -6.384 -9.766 7.941 1.00 61.51 C ATOM 1303 C LEU A 227 -6.736 -10.289 9.343 1.00 33.21 C ATOM 1304 O LEU A 227 -7.746 -10.968 9.529 1.00 74.34 O ATOM 1305 CB LEU A 227 -4.923 -10.102 7.602 1.00 73.33 C ATOM 1306 CG LEU A 227 -4.497 -9.778 6.160 1.00 30.24 C ATOM 1307 CD1 LEU A 227 -3.010 -10.063 5.955 1.00 30.52 C ATOM 1308 CD2 LEU A 227 -5.345 -10.565 5.159 1.00 45.53 C ATOM 0 H LEU A 227 -5.866 -7.754 8.262 1.00 52.25 H new ATOM 0 HA LEU A 227 -7.037 -10.257 7.219 1.00 61.51 H new ATOM 0 HB2 LEU A 227 -4.273 -9.558 8.287 1.00 73.33 H new ATOM 0 HB3 LEU A 227 -4.759 -11.164 7.783 1.00 73.33 H new ATOM 0 HG LEU A 227 -4.663 -8.715 5.986 1.00 30.24 H new ATOM 0 HD11 LEU A 227 -2.732 -9.826 4.928 1.00 30.52 H new ATOM 0 HD12 LEU A 227 -2.424 -9.450 6.640 1.00 30.52 H new ATOM 0 HD13 LEU A 227 -2.811 -11.117 6.151 1.00 30.52 H new ATOM 0 HD21 LEU A 227 -5.029 -10.322 4.144 1.00 45.53 H new ATOM 0 HD22 LEU A 227 -5.216 -11.633 5.334 1.00 45.53 H new ATOM 0 HD23 LEU A 227 -6.395 -10.301 5.285 1.00 45.53 H new