USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 598 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 92 LYS NZ :NH3+ 151:sc= 1.25 (180deg=0) USER MOD Set 1.2: B 194 GLN : amide:sc= 1.02 K(o=2.3,f=-4) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0743 K(o=-0.074,f=-1.1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc=-0.00797 X(o=-0.008,f=0) USER MOD Single : B 160 SER OG : rot 37:sc= 0.0477 USER MOD Single : B 168 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 170 THR OG1 : rot -81:sc= 0.317 USER MOD Single : B 172 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 177 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.44) USER MOD Single : B 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 183 THR OG1 : rot 180:sc= 0 USER MOD Single : B 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 186 MET CE :methyl 169:sc= -0.498 (180deg=-0.93) USER MOD Single : B 187 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : B 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 190 GLN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : B 192 ASN : amide:sc= 1.02 K(o=1,f=-2.7) USER MOD Single : B 193 TYR OH : rot 180:sc= 0 USER MOD Single : B 201 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 202 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-1.4) USER MOD Single : B 203 SER OG : rot 180:sc= 0.00147 USER MOD Single : B 206 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 207 TYR OH : rot 60:sc= 0 USER MOD Single : B 209 THR OG1 : rot 180:sc= 0 USER MOD Single : B 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 214 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 215 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 THR OG1 : rot 180:sc=0.000966 USER MOD ----------------------------------------------------------------- ATOM 131 N GLU A 80 -11.515 -11.918 2.442 1.00 0.00 N ATOM 132 CA GLU A 80 -11.089 -10.735 1.709 1.00 0.00 C ATOM 133 C GLU A 80 -10.035 -10.006 2.536 1.00 0.00 C ATOM 134 O GLU A 80 -9.015 -9.576 2.004 1.00 0.00 O ATOM 135 CB GLU A 80 -12.254 -9.771 1.420 1.00 0.00 C ATOM 136 CG GLU A 80 -13.558 -10.403 0.908 1.00 0.00 C ATOM 137 CD GLU A 80 -14.498 -10.702 2.075 1.00 0.00 C ATOM 138 OE1 GLU A 80 -14.299 -11.721 2.773 1.00 0.00 O ATOM 139 OE2 GLU A 80 -15.346 -9.852 2.417 1.00 0.00 O ATOM 0 HA GLU A 80 -10.688 -11.061 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -12.477 -9.222 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.917 -9.040 0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.045 -9.728 0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.336 -11.323 0.367 1.00 0.00 H new ATOM 146 N PHE A 81 -10.275 -9.890 3.849 1.00 0.00 N ATOM 147 CA PHE A 81 -9.354 -9.227 4.756 1.00 0.00 C ATOM 148 C PHE A 81 -8.015 -9.966 4.838 1.00 0.00 C ATOM 149 O PHE A 81 -6.983 -9.309 4.930 1.00 0.00 O ATOM 150 CB PHE A 81 -9.981 -9.075 6.148 1.00 0.00 C ATOM 151 CG PHE A 81 -11.071 -8.024 6.245 1.00 0.00 C ATOM 152 CD1 PHE A 81 -10.778 -6.683 5.929 1.00 0.00 C ATOM 153 CD2 PHE A 81 -12.367 -8.368 6.679 1.00 0.00 C ATOM 154 CE1 PHE A 81 -11.782 -5.705 6.008 1.00 0.00 C ATOM 155 CE2 PHE A 81 -13.369 -7.384 6.766 1.00 0.00 C ATOM 156 CZ PHE A 81 -13.077 -6.053 6.426 1.00 0.00 C ATOM 0 H PHE A 81 -11.113 -10.255 4.302 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.155 -8.232 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -10.395 -10.037 6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.194 -8.828 6.860 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -9.779 -6.407 5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -12.592 -9.390 6.946 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -11.558 -4.681 5.746 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -14.362 -7.652 7.094 1.00 0.00 H new ATOM 0 HZ PHE A 81 -13.847 -5.298 6.486 1.00 0.00 H new ATOM 166 N ALA A 82 -8.002 -11.303 4.818 1.00 0.00 N ATOM 167 CA ALA A 82 -6.765 -12.075 4.886 1.00 0.00 C ATOM 168 C ALA A 82 -5.869 -11.706 3.700 1.00 0.00 C ATOM 169 O ALA A 82 -4.708 -11.334 3.878 1.00 0.00 O ATOM 170 CB ALA A 82 -7.078 -13.578 4.923 1.00 0.00 C ATOM 0 H ALA A 82 -8.845 -11.874 4.755 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.228 -11.834 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.147 -14.142 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.686 -13.802 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.624 -13.858 4.022 1.00 0.00 H new ATOM 176 N GLU A 83 -6.432 -11.785 2.495 1.00 0.00 N ATOM 177 CA GLU A 83 -5.756 -11.464 1.247 1.00 0.00 C ATOM 178 C GLU A 83 -5.350 -9.982 1.237 1.00 0.00 C ATOM 179 O GLU A 83 -4.245 -9.635 0.822 1.00 0.00 O ATOM 180 CB GLU A 83 -6.715 -11.849 0.107 1.00 0.00 C ATOM 181 CG GLU A 83 -6.186 -11.564 -1.300 1.00 0.00 C ATOM 182 CD GLU A 83 -4.881 -12.286 -1.624 1.00 0.00 C ATOM 183 OE1 GLU A 83 -4.904 -13.537 -1.680 1.00 0.00 O ATOM 184 OE2 GLU A 83 -3.852 -11.598 -1.829 1.00 0.00 O ATOM 0 H GLU A 83 -7.398 -12.083 2.361 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.827 -12.021 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.943 -12.912 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.653 -11.311 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.942 -11.855 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.034 -10.490 -1.411 1.00 0.00 H new ATOM 191 N PHE A 84 -6.207 -9.097 1.745 1.00 0.00 N ATOM 192 CA PHE A 84 -5.955 -7.665 1.813 1.00 0.00 C ATOM 193 C PHE A 84 -4.718 -7.390 2.669 1.00 0.00 C ATOM 194 O PHE A 84 -3.785 -6.718 2.221 1.00 0.00 O ATOM 195 CB PHE A 84 -7.208 -6.977 2.365 1.00 0.00 C ATOM 196 CG PHE A 84 -7.124 -5.475 2.449 1.00 0.00 C ATOM 197 CD1 PHE A 84 -7.174 -4.715 1.269 1.00 0.00 C ATOM 198 CD2 PHE A 84 -7.029 -4.837 3.700 1.00 0.00 C ATOM 199 CE1 PHE A 84 -7.119 -3.317 1.342 1.00 0.00 C ATOM 200 CE2 PHE A 84 -6.981 -3.434 3.766 1.00 0.00 C ATOM 201 CZ PHE A 84 -7.018 -2.673 2.584 1.00 0.00 C ATOM 0 H PHE A 84 -7.114 -9.365 2.128 1.00 0.00 H new ATOM 0 HA PHE A 84 -5.748 -7.262 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.058 -7.244 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -7.412 -7.371 3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.254 -5.206 0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.993 -5.424 4.606 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.155 -2.731 0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.916 -2.940 4.724 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.969 -1.595 2.632 1.00 0.00 H new ATOM 211 N TYR A 85 -4.677 -7.936 3.888 1.00 0.00 N ATOM 212 CA TYR A 85 -3.551 -7.752 4.791 1.00 0.00 C ATOM 213 C TYR A 85 -2.274 -8.382 4.243 1.00 0.00 C ATOM 214 O TYR A 85 -1.194 -7.892 4.587 1.00 0.00 O ATOM 215 CB TYR A 85 -3.889 -8.250 6.200 1.00 0.00 C ATOM 216 CG TYR A 85 -4.957 -7.415 6.884 1.00 0.00 C ATOM 217 CD1 TYR A 85 -4.823 -6.015 6.948 1.00 0.00 C ATOM 218 CD2 TYR A 85 -6.095 -8.026 7.437 1.00 0.00 C ATOM 219 CE1 TYR A 85 -5.832 -5.235 7.531 1.00 0.00 C ATOM 220 CE2 TYR A 85 -7.104 -7.254 8.034 1.00 0.00 C ATOM 221 CZ TYR A 85 -6.985 -5.850 8.074 1.00 0.00 C ATOM 222 OH TYR A 85 -7.975 -5.104 8.639 1.00 0.00 O ATOM 0 H TYR A 85 -5.424 -8.515 4.270 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.356 -6.682 4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.226 -9.285 6.142 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.985 -8.243 6.809 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.940 -5.540 6.547 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.194 -9.101 7.402 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.729 -4.161 7.566 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.971 -7.735 8.462 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.689 -5.695 8.958 1.00 0.00 H new ATOM 232 N ASN A 86 -2.375 -9.436 3.420 1.00 0.00 N ATOM 233 CA ASN A 86 -1.236 -10.096 2.803 1.00 0.00 C ATOM 234 C ASN A 86 -0.607 -9.076 1.857 1.00 0.00 C ATOM 235 O ASN A 86 0.553 -8.707 2.030 1.00 0.00 O ATOM 236 CB ASN A 86 -1.676 -11.368 2.044 1.00 0.00 C ATOM 237 CG ASN A 86 -1.704 -12.616 2.908 1.00 0.00 C ATOM 238 OD1 ASN A 86 -0.856 -12.806 3.777 1.00 0.00 O ATOM 239 ND2 ASN A 86 -2.648 -13.521 2.721 1.00 0.00 N ATOM 0 H ASN A 86 -3.270 -9.854 3.166 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.518 -10.423 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.669 -11.205 1.625 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.999 -11.532 1.206 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.667 -14.364 3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.358 -13.376 2.003 1.00 0.00 H new ATOM 246 N ARG A 87 -1.387 -8.574 0.888 1.00 0.00 N ATOM 247 CA ARG A 87 -0.909 -7.586 -0.081 1.00 0.00 C ATOM 248 C ARG A 87 -0.327 -6.369 0.640 1.00 0.00 C ATOM 249 O ARG A 87 0.745 -5.905 0.257 1.00 0.00 O ATOM 250 CB ARG A 87 -2.047 -7.142 -1.014 1.00 0.00 C ATOM 251 CG ARG A 87 -2.734 -8.224 -1.854 1.00 0.00 C ATOM 252 CD ARG A 87 -1.948 -8.714 -3.079 1.00 0.00 C ATOM 253 NE ARG A 87 -2.682 -8.499 -4.341 1.00 0.00 N ATOM 254 CZ ARG A 87 -3.885 -8.990 -4.674 1.00 0.00 C ATOM 255 NH1 ARG A 87 -4.510 -9.873 -3.904 1.00 0.00 N ATOM 256 NH2 ARG A 87 -4.492 -8.568 -5.777 1.00 0.00 N ATOM 0 H ARG A 87 -2.362 -8.842 0.757 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.127 -8.053 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.809 -6.653 -0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.650 -6.389 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.941 -9.080 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.696 -7.839 -2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.991 -8.194 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.729 -9.776 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.224 -7.912 -5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.076 -10.192 -3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.424 -10.232 -4.178 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.043 -7.871 -6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.407 -8.941 -6.030 1.00 0.00 H new ATOM 270 N LEU A 88 -1.014 -5.863 1.675 1.00 0.00 N ATOM 271 CA LEU A 88 -0.564 -4.714 2.456 1.00 0.00 C ATOM 272 C LEU A 88 0.829 -4.901 3.018 1.00 0.00 C ATOM 273 O LEU A 88 1.682 -4.044 2.801 1.00 0.00 O ATOM 274 CB LEU A 88 -1.518 -4.410 3.623 1.00 0.00 C ATOM 275 CG LEU A 88 -2.615 -3.404 3.271 1.00 0.00 C ATOM 276 CD1 LEU A 88 -3.704 -3.427 4.345 1.00 0.00 C ATOM 277 CD2 LEU A 88 -1.983 -2.009 3.241 1.00 0.00 C ATOM 0 H LEU A 88 -1.904 -6.247 1.992 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.554 -3.878 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.982 -5.339 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.940 -4.025 4.463 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.057 -3.655 2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.483 -2.709 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.137 -4.426 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.270 -3.163 5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.744 -1.270 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.561 -1.780 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.193 -1.983 2.490 1.00 0.00 H new ATOM 289 N LYS A 89 1.035 -5.986 3.775 1.00 0.00 N ATOM 290 CA LYS A 89 2.312 -6.310 4.407 1.00 0.00 C ATOM 291 C LYS A 89 3.429 -6.146 3.390 1.00 0.00 C ATOM 292 O LYS A 89 4.386 -5.423 3.662 1.00 0.00 O ATOM 293 CB LYS A 89 2.271 -7.748 4.960 1.00 0.00 C ATOM 294 CG LYS A 89 3.613 -8.178 5.574 1.00 0.00 C ATOM 295 CD LYS A 89 3.658 -9.673 5.887 1.00 0.00 C ATOM 296 CE LYS A 89 2.845 -10.023 7.135 1.00 0.00 C ATOM 297 NZ LYS A 89 2.869 -11.475 7.371 1.00 0.00 N ATOM 0 H LYS A 89 0.305 -6.672 3.966 1.00 0.00 H new ATOM 0 HA LYS A 89 2.498 -5.633 5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.489 -7.822 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.005 -8.436 4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.421 -7.929 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.789 -7.613 6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.273 -10.233 5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.693 -9.982 6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.252 -9.500 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.816 -9.685 7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.313 -11.698 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.460 -11.967 6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.851 -11.788 7.508 1.00 0.00 H new ATOM 311 N GLN A 90 3.270 -6.780 2.232 1.00 0.00 N ATOM 312 CA GLN A 90 4.207 -6.764 1.140 1.00 0.00 C ATOM 313 C GLN A 90 4.590 -5.343 0.723 1.00 0.00 C ATOM 314 O GLN A 90 5.779 -5.076 0.627 1.00 0.00 O ATOM 315 CB GLN A 90 3.560 -7.568 0.012 1.00 0.00 C ATOM 316 CG GLN A 90 4.532 -8.475 -0.733 1.00 0.00 C ATOM 317 CD GLN A 90 5.309 -7.726 -1.813 1.00 0.00 C ATOM 318 OE1 GLN A 90 6.506 -7.474 -1.688 1.00 0.00 O ATOM 319 NE2 GLN A 90 4.619 -7.344 -2.875 1.00 0.00 N ATOM 0 H GLN A 90 2.442 -7.342 2.032 1.00 0.00 H new ATOM 0 HA GLN A 90 5.156 -7.215 1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.756 -8.176 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.104 -6.878 -0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.233 -8.915 -0.023 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.981 -9.298 -1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.627 -7.570 -2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.079 -6.824 -3.622 1.00 0.00 H new ATOM 328 N ILE A 91 3.639 -4.422 0.503 1.00 0.00 N ATOM 329 CA ILE A 91 3.973 -3.044 0.111 1.00 0.00 C ATOM 330 C ILE A 91 4.853 -2.419 1.197 1.00 0.00 C ATOM 331 O ILE A 91 5.882 -1.810 0.891 1.00 0.00 O ATOM 332 CB ILE A 91 2.710 -2.178 -0.127 1.00 0.00 C ATOM 333 CG1 ILE A 91 1.831 -2.751 -1.255 1.00 0.00 C ATOM 334 CG2 ILE A 91 3.093 -0.720 -0.476 1.00 0.00 C ATOM 335 CD1 ILE A 91 0.409 -2.189 -1.199 1.00 0.00 C ATOM 0 H ILE A 91 2.639 -4.605 0.589 1.00 0.00 H new ATOM 0 HA ILE A 91 4.511 -3.079 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 91 2.141 -2.191 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.278 -2.516 -2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.797 -3.838 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.188 -0.135 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.663 -0.287 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.699 -0.710 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.183 -2.615 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.047 -2.446 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.442 -1.105 -1.305 1.00 0.00 H new ATOM 347 N LYS A 92 4.456 -2.569 2.467 1.00 0.00 N ATOM 348 CA LYS A 92 5.212 -2.012 3.584 1.00 0.00 C ATOM 349 C LYS A 92 6.637 -2.553 3.547 1.00 0.00 C ATOM 350 O LYS A 92 7.586 -1.777 3.579 1.00 0.00 O ATOM 351 CB LYS A 92 4.518 -2.264 4.931 1.00 0.00 C ATOM 352 CG LYS A 92 3.020 -1.909 4.920 1.00 0.00 C ATOM 353 CD LYS A 92 2.544 -1.345 6.258 1.00 0.00 C ATOM 354 CE LYS A 92 1.196 -0.620 6.083 1.00 0.00 C ATOM 355 NZ LYS A 92 0.923 0.355 7.161 1.00 0.00 N ATOM 0 H LYS A 92 3.613 -3.073 2.742 1.00 0.00 H new ATOM 0 HA LYS A 92 5.254 -0.928 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.634 -3.314 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.017 -1.680 5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.828 -1.180 4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.440 -2.800 4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.439 -2.151 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.288 -0.654 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.189 -0.104 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.394 -1.357 6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.327 1.123 6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.429 -0.121 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.821 0.750 7.508 1.00 0.00 H new ATOM 1028 N SER B 160 3.020 9.697 -2.455 1.00 0.00 N ATOM 1029 CA SER B 160 4.232 8.890 -2.383 1.00 0.00 C ATOM 1030 C SER B 160 3.970 7.503 -2.972 1.00 0.00 C ATOM 1031 O SER B 160 2.833 7.036 -2.976 1.00 0.00 O ATOM 1032 CB SER B 160 4.692 8.762 -0.927 1.00 0.00 C ATOM 1033 OG SER B 160 4.983 10.032 -0.365 1.00 0.00 O ATOM 0 HA SER B 160 5.017 9.378 -2.960 1.00 0.00 H new ATOM 0 HB2 SER B 160 3.916 8.271 -0.340 1.00 0.00 H new ATOM 0 HB3 SER B 160 5.578 8.128 -0.877 1.00 0.00 H new ATOM 0 HG SER B 160 4.344 10.693 -0.703 1.00 0.00 H new ATOM 1039 N ALA B 161 5.030 6.799 -3.377 1.00 0.00 N ATOM 1040 CA ALA B 161 4.964 5.464 -3.966 1.00 0.00 C ATOM 1041 C ALA B 161 4.203 4.474 -3.080 1.00 0.00 C ATOM 1042 O ALA B 161 3.389 3.694 -3.578 1.00 0.00 O ATOM 1043 CB ALA B 161 6.397 4.969 -4.188 1.00 0.00 C ATOM 0 H ALA B 161 5.983 7.154 -3.301 1.00 0.00 H new ATOM 0 HA ALA B 161 4.420 5.527 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA B 161 6.373 3.972 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA B 161 6.917 5.650 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA B 161 6.921 4.932 -3.233 1.00 0.00 H new ATOM 1049 N PHE B 162 4.467 4.509 -1.774 1.00 0.00 N ATOM 1050 CA PHE B 162 3.827 3.641 -0.797 1.00 0.00 C ATOM 1051 C PHE B 162 2.319 3.880 -0.808 1.00 0.00 C ATOM 1052 O PHE B 162 1.531 2.949 -0.956 1.00 0.00 O ATOM 1053 CB PHE B 162 4.439 3.949 0.584 1.00 0.00 C ATOM 1054 CG PHE B 162 4.059 3.040 1.746 1.00 0.00 C ATOM 1055 CD1 PHE B 162 2.716 2.853 2.140 1.00 0.00 C ATOM 1056 CD2 PHE B 162 5.083 2.440 2.507 1.00 0.00 C ATOM 1057 CE1 PHE B 162 2.406 2.066 3.262 1.00 0.00 C ATOM 1058 CE2 PHE B 162 4.773 1.665 3.636 1.00 0.00 C ATOM 1059 CZ PHE B 162 3.434 1.487 4.015 1.00 0.00 C ATOM 0 H PHE B 162 5.143 5.153 -1.363 1.00 0.00 H new ATOM 0 HA PHE B 162 3.993 2.591 -1.036 1.00 0.00 H new ATOM 0 HB2 PHE B 162 5.524 3.927 0.482 1.00 0.00 H new ATOM 0 HB3 PHE B 162 4.164 4.969 0.853 1.00 0.00 H new ATOM 0 HD1 PHE B 162 1.922 3.318 1.575 1.00 0.00 H new ATOM 0 HD2 PHE B 162 6.115 2.578 2.219 1.00 0.00 H new ATOM 0 HE1 PHE B 162 1.375 1.908 3.543 1.00 0.00 H new ATOM 0 HE2 PHE B 162 5.564 1.207 4.212 1.00 0.00 H new ATOM 0 HZ PHE B 162 3.196 0.901 4.891 1.00 0.00 H new ATOM 1069 N ASP B 163 1.925 5.141 -0.628 1.00 0.00 N ATOM 1070 CA ASP B 163 0.538 5.565 -0.562 1.00 0.00 C ATOM 1071 C ASP B 163 -0.191 5.251 -1.862 1.00 0.00 C ATOM 1072 O ASP B 163 -1.329 4.793 -1.826 1.00 0.00 O ATOM 1073 CB ASP B 163 0.483 7.059 -0.220 1.00 0.00 C ATOM 1074 CG ASP B 163 1.024 7.364 1.169 1.00 0.00 C ATOM 1075 OD1 ASP B 163 0.557 6.739 2.147 1.00 0.00 O ATOM 1076 OD2 ASP B 163 1.960 8.194 1.269 1.00 0.00 O ATOM 0 H ASP B 163 2.585 5.912 -0.522 1.00 0.00 H new ATOM 0 HA ASP B 163 0.025 5.011 0.224 1.00 0.00 H new ATOM 0 HB2 ASP B 163 1.056 7.618 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP B 163 -0.548 7.405 -0.288 1.00 0.00 H new ATOM 1081 N LEU B 164 0.480 5.461 -2.995 1.00 0.00 N ATOM 1082 CA LEU B 164 -0.007 5.228 -4.345 1.00 0.00 C ATOM 1083 C LEU B 164 -0.470 3.788 -4.523 1.00 0.00 C ATOM 1084 O LEU B 164 -1.567 3.559 -5.037 1.00 0.00 O ATOM 1085 CB LEU B 164 1.125 5.564 -5.334 1.00 0.00 C ATOM 1086 CG LEU B 164 0.815 5.238 -6.800 1.00 0.00 C ATOM 1087 CD1 LEU B 164 -0.303 6.133 -7.334 1.00 0.00 C ATOM 1088 CD2 LEU B 164 2.076 5.393 -7.646 1.00 0.00 C ATOM 0 H LEU B 164 1.435 5.820 -2.989 1.00 0.00 H new ATOM 0 HA LEU B 164 -0.869 5.867 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU B 164 1.356 6.626 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU B 164 2.022 5.020 -5.037 1.00 0.00 H new ATOM 0 HG LEU B 164 0.474 4.204 -6.860 1.00 0.00 H new ATOM 0 HD11 LEU B 164 -0.504 5.882 -8.375 1.00 0.00 H new ATOM 0 HD12 LEU B 164 -1.206 5.979 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU B 164 0.002 7.177 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU B 164 1.847 5.160 -8.686 1.00 0.00 H new ATOM 0 HD22 LEU B 164 2.438 6.419 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU B 164 2.845 4.711 -7.282 1.00 0.00 H new ATOM 1100 N ASP B 165 0.387 2.834 -4.156 1.00 0.00 N ATOM 1101 CA ASP B 165 0.086 1.414 -4.277 1.00 0.00 C ATOM 1102 C ASP B 165 -1.058 1.047 -3.337 1.00 0.00 C ATOM 1103 O ASP B 165 -1.995 0.380 -3.761 1.00 0.00 O ATOM 1104 CB ASP B 165 1.341 0.568 -4.039 1.00 0.00 C ATOM 1105 CG ASP B 165 1.178 -0.883 -4.529 1.00 0.00 C ATOM 1106 OD1 ASP B 165 0.143 -1.537 -4.308 1.00 0.00 O ATOM 1107 OD2 ASP B 165 2.080 -1.349 -5.269 1.00 0.00 O ATOM 0 H ASP B 165 1.309 3.028 -3.766 1.00 0.00 H new ATOM 0 HA ASP B 165 -0.242 1.197 -5.294 1.00 0.00 H new ATOM 0 HB2 ASP B 165 2.187 1.027 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP B 165 1.576 0.564 -2.975 1.00 0.00 H new ATOM 1112 N VAL B 166 -1.056 1.538 -2.093 1.00 0.00 N ATOM 1113 CA VAL B 166 -2.108 1.252 -1.117 1.00 0.00 C ATOM 1114 C VAL B 166 -3.469 1.689 -1.689 1.00 0.00 C ATOM 1115 O VAL B 166 -4.455 0.957 -1.589 1.00 0.00 O ATOM 1116 CB VAL B 166 -1.715 1.922 0.217 1.00 0.00 C ATOM 1117 CG1 VAL B 166 -2.845 1.998 1.244 1.00 0.00 C ATOM 1118 CG2 VAL B 166 -0.547 1.164 0.870 1.00 0.00 C ATOM 0 H VAL B 166 -0.320 2.147 -1.735 1.00 0.00 H new ATOM 0 HA VAL B 166 -2.213 0.186 -0.914 1.00 0.00 H new ATOM 0 HB VAL B 166 -1.443 2.942 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL B 166 -2.481 2.483 2.150 1.00 0.00 H new ATOM 0 HG12 VAL B 166 -3.673 2.574 0.832 1.00 0.00 H new ATOM 0 HG13 VAL B 166 -3.187 0.991 1.484 1.00 0.00 H new ATOM 0 HG21 VAL B 166 -0.280 1.647 1.810 1.00 0.00 H new ATOM 0 HG22 VAL B 166 -0.845 0.133 1.063 1.00 0.00 H new ATOM 0 HG23 VAL B 166 0.313 1.174 0.200 1.00 0.00 H new ATOM 1128 N VAL B 167 -3.530 2.868 -2.312 1.00 0.00 N ATOM 1129 CA VAL B 167 -4.733 3.421 -2.925 1.00 0.00 C ATOM 1130 C VAL B 167 -5.184 2.493 -4.058 1.00 0.00 C ATOM 1131 O VAL B 167 -6.372 2.155 -4.127 1.00 0.00 O ATOM 1132 CB VAL B 167 -4.419 4.876 -3.343 1.00 0.00 C ATOM 1133 CG1 VAL B 167 -5.468 5.559 -4.216 1.00 0.00 C ATOM 1134 CG2 VAL B 167 -4.279 5.750 -2.093 1.00 0.00 C ATOM 0 H VAL B 167 -2.719 3.479 -2.405 1.00 0.00 H new ATOM 0 HA VAL B 167 -5.582 3.471 -2.243 1.00 0.00 H new ATOM 0 HB VAL B 167 -3.506 4.788 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL B 167 -5.144 6.574 -4.448 1.00 0.00 H new ATOM 0 HG12 VAL B 167 -5.593 4.997 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL B 167 -6.418 5.595 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL B 167 -4.058 6.775 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL B 167 -5.211 5.729 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL B 167 -3.469 5.369 -1.471 1.00 0.00 H new ATOM 1144 N LYS B 168 -4.273 2.070 -4.940 1.00 0.00 N ATOM 1145 CA LYS B 168 -4.594 1.171 -6.050 1.00 0.00 C ATOM 1146 C LYS B 168 -5.084 -0.176 -5.519 1.00 0.00 C ATOM 1147 O LYS B 168 -6.126 -0.637 -5.979 1.00 0.00 O ATOM 1148 CB LYS B 168 -3.363 0.979 -6.944 1.00 0.00 C ATOM 1149 CG LYS B 168 -3.126 2.152 -7.911 1.00 0.00 C ATOM 1150 CD LYS B 168 -1.634 2.192 -8.281 1.00 0.00 C ATOM 1151 CE LYS B 168 -1.349 2.873 -9.622 1.00 0.00 C ATOM 1152 NZ LYS B 168 -1.594 1.960 -10.754 1.00 0.00 N ATOM 0 H LYS B 168 -3.291 2.343 -4.903 1.00 0.00 H new ATOM 0 HA LYS B 168 -5.392 1.617 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS B 168 -2.482 0.852 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS B 168 -3.480 0.061 -7.519 1.00 0.00 H new ATOM 0 HG2 LYS B 168 -3.735 2.032 -8.807 1.00 0.00 H new ATOM 0 HG3 LYS B 168 -3.425 3.091 -7.446 1.00 0.00 H new ATOM 0 HD2 LYS B 168 -1.088 2.714 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS B 168 -1.249 1.173 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS B 168 -1.978 3.757 -9.723 1.00 0.00 H new ATOM 0 HE3 LYS B 168 -0.314 3.214 -9.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 168 -1.391 2.452 -11.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 168 -0.976 1.128 -10.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 168 -2.588 1.655 -10.745 1.00 0.00 H new ATOM 1166 N LEU B 169 -4.373 -0.781 -4.563 1.00 0.00 N ATOM 1167 CA LEU B 169 -4.669 -2.059 -3.927 1.00 0.00 C ATOM 1168 C LEU B 169 -6.094 -2.027 -3.393 1.00 0.00 C ATOM 1169 O LEU B 169 -6.940 -2.801 -3.841 1.00 0.00 O ATOM 1170 CB LEU B 169 -3.636 -2.323 -2.804 1.00 0.00 C ATOM 1171 CG LEU B 169 -3.673 -3.702 -2.102 1.00 0.00 C ATOM 1172 CD1 LEU B 169 -2.602 -3.738 -1.002 1.00 0.00 C ATOM 1173 CD2 LEU B 169 -4.995 -4.083 -1.435 1.00 0.00 C ATOM 0 H LEU B 169 -3.521 -0.360 -4.192 1.00 0.00 H new ATOM 0 HA LEU B 169 -4.595 -2.875 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU B 169 -2.640 -2.188 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU B 169 -3.766 -1.555 -2.042 1.00 0.00 H new ATOM 0 HG LEU B 169 -3.508 -4.416 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU B 169 -2.624 -4.708 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU B 169 -1.619 -3.580 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU B 169 -2.802 -2.952 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU B 169 -4.901 -5.068 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU B 169 -5.241 -3.348 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU B 169 -5.787 -4.105 -2.183 1.00 0.00 H new ATOM 1185 N THR B 170 -6.384 -1.124 -2.455 1.00 0.00 N ATOM 1186 CA THR B 170 -7.707 -1.020 -1.860 1.00 0.00 C ATOM 1187 C THR B 170 -8.767 -0.826 -2.940 1.00 0.00 C ATOM 1188 O THR B 170 -9.789 -1.510 -2.892 1.00 0.00 O ATOM 1189 CB THR B 170 -7.696 0.049 -0.756 1.00 0.00 C ATOM 1190 OG1 THR B 170 -6.610 -0.251 0.086 1.00 0.00 O ATOM 1191 CG2 THR B 170 -8.957 0.019 0.112 1.00 0.00 C ATOM 0 H THR B 170 -5.710 -0.450 -2.092 1.00 0.00 H new ATOM 0 HA THR B 170 -7.982 -1.952 -1.366 1.00 0.00 H new ATOM 0 HB THR B 170 -7.634 1.029 -1.228 1.00 0.00 H new ATOM 0 HG1 THR B 170 -6.866 -0.963 0.709 1.00 0.00 H new ATOM 0 HG21 THR B 170 -8.893 0.796 0.874 1.00 0.00 H new ATOM 0 HG22 THR B 170 -9.833 0.195 -0.513 1.00 0.00 H new ATOM 0 HG23 THR B 170 -9.044 -0.955 0.593 1.00 0.00 H new ATOM 1199 N ALA B 171 -8.518 0.038 -3.930 1.00 0.00 N ATOM 1200 CA ALA B 171 -9.470 0.266 -5.010 1.00 0.00 C ATOM 1201 C ALA B 171 -9.723 -1.015 -5.825 1.00 0.00 C ATOM 1202 O ALA B 171 -10.855 -1.266 -6.239 1.00 0.00 O ATOM 1203 CB ALA B 171 -9.012 1.422 -5.882 1.00 0.00 C ATOM 0 H ALA B 171 -7.663 0.589 -4.001 1.00 0.00 H new ATOM 0 HA ALA B 171 -10.428 0.542 -4.570 1.00 0.00 H new ATOM 0 HB1 ALA B 171 -9.733 1.580 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA B 171 -8.937 2.326 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA B 171 -8.037 1.190 -6.311 1.00 0.00 H new ATOM 1209 N GLN B 172 -8.697 -1.834 -6.064 1.00 0.00 N ATOM 1210 CA GLN B 172 -8.824 -3.084 -6.806 1.00 0.00 C ATOM 1211 C GLN B 172 -9.730 -4.055 -6.036 1.00 0.00 C ATOM 1212 O GLN B 172 -10.583 -4.709 -6.639 1.00 0.00 O ATOM 1213 CB GLN B 172 -7.432 -3.699 -7.066 1.00 0.00 C ATOM 1214 CG GLN B 172 -6.776 -3.098 -8.321 1.00 0.00 C ATOM 1215 CD GLN B 172 -5.513 -3.832 -8.766 1.00 0.00 C ATOM 1216 OE1 GLN B 172 -4.425 -3.267 -8.838 1.00 0.00 O ATOM 1217 NE2 GLN B 172 -5.635 -5.092 -9.138 1.00 0.00 N ATOM 0 H GLN B 172 -7.747 -1.644 -5.744 1.00 0.00 H new ATOM 0 HA GLN B 172 -9.282 -2.884 -7.774 1.00 0.00 H new ATOM 0 HB2 GLN B 172 -6.790 -3.528 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN B 172 -7.526 -4.778 -7.185 1.00 0.00 H new ATOM 0 HG2 GLN B 172 -7.498 -3.108 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN B 172 -6.529 -2.054 -8.127 1.00 0.00 H new ATOM 0 HE21 GLN B 172 -6.541 -5.557 -9.076 1.00 0.00 H new ATOM 0 HE22 GLN B 172 -4.823 -5.601 -9.487 1.00 0.00 H new ATOM 1226 N PHE B 173 -9.583 -4.121 -4.712 1.00 0.00 N ATOM 1227 CA PHE B 173 -10.373 -5.003 -3.863 1.00 0.00 C ATOM 1228 C PHE B 173 -11.823 -4.547 -3.770 1.00 0.00 C ATOM 1229 O PHE B 173 -12.728 -5.361 -3.918 1.00 0.00 O ATOM 1230 CB PHE B 173 -9.775 -5.080 -2.455 1.00 0.00 C ATOM 1231 CG PHE B 173 -8.650 -6.078 -2.297 1.00 0.00 C ATOM 1232 CD1 PHE B 173 -7.495 -5.991 -3.099 1.00 0.00 C ATOM 1233 CD2 PHE B 173 -8.754 -7.101 -1.337 1.00 0.00 C ATOM 1234 CE1 PHE B 173 -6.430 -6.879 -2.906 1.00 0.00 C ATOM 1235 CE2 PHE B 173 -7.696 -8.003 -1.158 1.00 0.00 C ATOM 1236 CZ PHE B 173 -6.523 -7.868 -1.917 1.00 0.00 C ATOM 0 H PHE B 173 -8.906 -3.558 -4.198 1.00 0.00 H new ATOM 0 HA PHE B 173 -10.350 -5.991 -4.323 1.00 0.00 H new ATOM 0 HB2 PHE B 173 -9.407 -4.092 -2.177 1.00 0.00 H new ATOM 0 HB3 PHE B 173 -10.568 -5.334 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE B 173 -7.431 -5.235 -3.867 1.00 0.00 H new ATOM 0 HD2 PHE B 173 -9.648 -7.191 -0.738 1.00 0.00 H new ATOM 0 HE1 PHE B 173 -5.542 -6.802 -3.516 1.00 0.00 H new ATOM 0 HE2 PHE B 173 -7.783 -8.802 -0.436 1.00 0.00 H new ATOM 0 HZ PHE B 173 -5.688 -8.529 -1.738 1.00 0.00 H new ATOM 1246 N VAL B 174 -12.082 -3.264 -3.516 1.00 0.00 N ATOM 1247 CA VAL B 174 -13.453 -2.755 -3.401 1.00 0.00 C ATOM 1248 C VAL B 174 -14.209 -2.917 -4.719 1.00 0.00 C ATOM 1249 O VAL B 174 -15.417 -3.117 -4.697 1.00 0.00 O ATOM 1250 CB VAL B 174 -13.459 -1.303 -2.895 1.00 0.00 C ATOM 1251 CG1 VAL B 174 -12.788 -1.221 -1.512 1.00 0.00 C ATOM 1252 CG2 VAL B 174 -12.777 -0.353 -3.851 1.00 0.00 C ATOM 0 H VAL B 174 -11.360 -2.555 -3.385 1.00 0.00 H new ATOM 0 HA VAL B 174 -13.982 -3.352 -2.658 1.00 0.00 H new ATOM 0 HB VAL B 174 -14.502 -0.996 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL B 174 -12.798 -0.188 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL B 174 -13.333 -1.848 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL B 174 -11.758 -1.569 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL B 174 -12.810 0.658 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL B 174 -11.739 -0.656 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL B 174 -13.290 -0.374 -4.813 1.00 0.00 H new ATOM 1262 N ALA B 175 -13.518 -2.882 -5.860 1.00 0.00 N ATOM 1263 CA ALA B 175 -14.157 -3.054 -7.155 1.00 0.00 C ATOM 1264 C ALA B 175 -14.598 -4.506 -7.376 1.00 0.00 C ATOM 1265 O ALA B 175 -15.420 -4.777 -8.245 1.00 0.00 O ATOM 1266 CB ALA B 175 -13.166 -2.639 -8.234 1.00 0.00 C ATOM 0 H ALA B 175 -12.510 -2.735 -5.907 1.00 0.00 H new ATOM 0 HA ALA B 175 -15.052 -2.434 -7.197 1.00 0.00 H new ATOM 0 HB1 ALA B 175 -13.625 -2.760 -9.215 1.00 0.00 H new ATOM 0 HB2 ALA B 175 -12.887 -1.595 -8.090 1.00 0.00 H new ATOM 0 HB3 ALA B 175 -12.276 -3.264 -8.170 1.00 0.00 H new ATOM 1272 N ARG B 176 -14.045 -5.447 -6.610 1.00 0.00 N ATOM 1273 CA ARG B 176 -14.340 -6.873 -6.670 1.00 0.00 C ATOM 1274 C ARG B 176 -15.330 -7.256 -5.581 1.00 0.00 C ATOM 1275 O ARG B 176 -16.400 -7.789 -5.860 1.00 0.00 O ATOM 1276 CB ARG B 176 -13.029 -7.647 -6.472 1.00 0.00 C ATOM 1277 CG ARG B 176 -12.219 -7.772 -7.762 1.00 0.00 C ATOM 1278 CD ARG B 176 -10.834 -8.308 -7.400 1.00 0.00 C ATOM 1279 NE ARG B 176 -10.168 -8.919 -8.553 1.00 0.00 N ATOM 1280 CZ ARG B 176 -9.149 -9.782 -8.474 1.00 0.00 C ATOM 1281 NH1 ARG B 176 -8.501 -9.981 -7.333 1.00 0.00 N ATOM 1282 NH2 ARG B 176 -8.780 -10.455 -9.550 1.00 0.00 N ATOM 0 H ARG B 176 -13.348 -5.222 -5.900 1.00 0.00 H new ATOM 0 HA ARG B 176 -14.782 -7.116 -7.636 1.00 0.00 H new ATOM 0 HB2 ARG B 176 -12.426 -7.145 -5.716 1.00 0.00 H new ATOM 0 HB3 ARG B 176 -13.254 -8.643 -6.091 1.00 0.00 H new ATOM 0 HG2 ARG B 176 -12.717 -8.444 -8.461 1.00 0.00 H new ATOM 0 HG3 ARG B 176 -12.136 -6.804 -8.255 1.00 0.00 H new ATOM 0 HD2 ARG B 176 -10.219 -7.495 -7.014 1.00 0.00 H new ATOM 0 HD3 ARG B 176 -10.927 -9.044 -6.602 1.00 0.00 H new ATOM 0 HE ARG B 176 -10.505 -8.668 -9.482 1.00 0.00 H new ATOM 0 HH11 ARG B 176 -8.777 -9.471 -6.494 1.00 0.00 H new ATOM 0 HH12 ARG B 176 -7.727 -10.644 -7.295 1.00 0.00 H new ATOM 0 HH21 ARG B 176 -9.271 -10.315 -10.433 1.00 0.00 H new ATOM 0 HH22 ARG B 176 -8.004 -11.115 -9.498 1.00 0.00 H new ATOM 1296 N ASN B 177 -14.955 -6.999 -4.331 1.00 0.00 N ATOM 1297 CA ASN B 177 -15.747 -7.308 -3.151 1.00 0.00 C ATOM 1298 C ASN B 177 -16.975 -6.408 -3.039 1.00 0.00 C ATOM 1299 O ASN B 177 -17.958 -6.795 -2.411 1.00 0.00 O ATOM 1300 CB ASN B 177 -14.874 -7.203 -1.889 1.00 0.00 C ATOM 1301 CG ASN B 177 -13.637 -8.095 -1.942 1.00 0.00 C ATOM 1302 OD1 ASN B 177 -13.658 -9.192 -2.491 1.00 0.00 O ATOM 1303 ND2 ASN B 177 -12.514 -7.655 -1.400 1.00 0.00 N ATOM 0 H ASN B 177 -14.064 -6.556 -4.108 1.00 0.00 H new ATOM 0 HA ASN B 177 -16.109 -8.332 -3.248 1.00 0.00 H new ATOM 0 HB2 ASN B 177 -14.562 -6.167 -1.755 1.00 0.00 H new ATOM 0 HB3 ASN B 177 -15.471 -7.471 -1.018 1.00 0.00 H new ATOM 0 HD21 ASN B 177 -11.670 -8.227 -1.440 1.00 0.00 H new ATOM 0 HD22 ASN B 177 -12.491 -6.744 -0.942 1.00 0.00 H new ATOM 1310 N GLY B 178 -16.956 -5.233 -3.665 1.00 0.00 N ATOM 1311 CA GLY B 178 -18.034 -4.259 -3.670 1.00 0.00 C ATOM 1312 C GLY B 178 -17.878 -3.235 -2.549 1.00 0.00 C ATOM 1313 O GLY B 178 -17.040 -3.372 -1.650 1.00 0.00 O ATOM 0 H GLY B 178 -16.149 -4.924 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY B 178 -18.055 -3.745 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY B 178 -18.989 -4.773 -3.562 1.00 0.00 H new ATOM 1317 N ARG B 179 -18.743 -2.218 -2.576 1.00 0.00 N ATOM 1318 CA ARG B 179 -18.771 -1.117 -1.615 1.00 0.00 C ATOM 1319 C ARG B 179 -18.836 -1.561 -0.159 1.00 0.00 C ATOM 1320 O ARG B 179 -18.266 -0.869 0.679 1.00 0.00 O ATOM 1321 CB ARG B 179 -19.951 -0.194 -1.952 1.00 0.00 C ATOM 1322 CG ARG B 179 -20.072 1.058 -1.071 1.00 0.00 C ATOM 1323 CD ARG B 179 -18.817 1.934 -1.088 1.00 0.00 C ATOM 1324 NE ARG B 179 -19.131 3.371 -1.101 1.00 0.00 N ATOM 1325 CZ ARG B 179 -19.365 4.138 -2.172 1.00 0.00 C ATOM 1326 NH1 ARG B 179 -19.395 3.626 -3.395 1.00 0.00 N ATOM 1327 NH2 ARG B 179 -19.558 5.441 -2.005 1.00 0.00 N ATOM 0 H ARG B 179 -19.466 -2.137 -3.291 1.00 0.00 H new ATOM 0 HA ARG B 179 -17.824 -0.586 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG B 179 -19.861 0.120 -2.992 1.00 0.00 H new ATOM 0 HB3 ARG B 179 -20.875 -0.767 -1.871 1.00 0.00 H new ATOM 0 HG2 ARG B 179 -20.924 1.649 -1.407 1.00 0.00 H new ATOM 0 HG3 ARG B 179 -20.280 0.753 -0.045 1.00 0.00 H new ATOM 0 HD2 ARG B 179 -18.208 1.707 -0.213 1.00 0.00 H new ATOM 0 HD3 ARG B 179 -18.219 1.689 -1.965 1.00 0.00 H new ATOM 0 HE ARG B 179 -19.175 3.834 -0.193 1.00 0.00 H new ATOM 0 HH11 ARG B 179 -19.238 2.628 -3.534 1.00 0.00 H new ATOM 0 HH12 ARG B 179 -19.575 4.230 -4.197 1.00 0.00 H new ATOM 0 HH21 ARG B 179 -19.527 5.845 -1.069 1.00 0.00 H new ATOM 0 HH22 ARG B 179 -19.737 6.038 -2.813 1.00 0.00 H new ATOM 1341 N GLN B 180 -19.488 -2.681 0.155 1.00 0.00 N ATOM 1342 CA GLN B 180 -19.595 -3.172 1.524 1.00 0.00 C ATOM 1343 C GLN B 180 -18.200 -3.288 2.138 1.00 0.00 C ATOM 1344 O GLN B 180 -17.948 -2.713 3.192 1.00 0.00 O ATOM 1345 CB GLN B 180 -20.344 -4.505 1.498 1.00 0.00 C ATOM 1346 CG GLN B 180 -20.555 -5.179 2.852 1.00 0.00 C ATOM 1347 CD GLN B 180 -21.470 -6.384 2.673 1.00 0.00 C ATOM 1348 OE1 GLN B 180 -22.646 -6.334 3.014 1.00 0.00 O ATOM 1349 NE2 GLN B 180 -20.990 -7.456 2.060 1.00 0.00 N ATOM 0 H GLN B 180 -19.955 -3.271 -0.534 1.00 0.00 H new ATOM 0 HA GLN B 180 -20.157 -2.480 2.151 1.00 0.00 H new ATOM 0 HB2 GLN B 180 -21.319 -4.343 1.039 1.00 0.00 H new ATOM 0 HB3 GLN B 180 -19.799 -5.193 0.852 1.00 0.00 H new ATOM 0 HG2 GLN B 180 -19.598 -5.492 3.269 1.00 0.00 H new ATOM 0 HG3 GLN B 180 -20.995 -4.475 3.558 1.00 0.00 H new ATOM 0 HE21 GLN B 180 -20.010 -7.487 1.780 1.00 0.00 H new ATOM 0 HE22 GLN B 180 -21.601 -8.250 1.868 1.00 0.00 H new ATOM 1358 N PHE B 181 -17.285 -3.994 1.464 1.00 0.00 N ATOM 1359 CA PHE B 181 -15.910 -4.191 1.910 1.00 0.00 C ATOM 1360 C PHE B 181 -15.222 -2.847 2.188 1.00 0.00 C ATOM 1361 O PHE B 181 -14.461 -2.731 3.148 1.00 0.00 O ATOM 1362 CB PHE B 181 -15.167 -4.999 0.837 1.00 0.00 C ATOM 1363 CG PHE B 181 -13.698 -5.232 1.122 1.00 0.00 C ATOM 1364 CD1 PHE B 181 -13.303 -6.182 2.085 1.00 0.00 C ATOM 1365 CD2 PHE B 181 -12.724 -4.476 0.444 1.00 0.00 C ATOM 1366 CE1 PHE B 181 -11.940 -6.352 2.383 1.00 0.00 C ATOM 1367 CE2 PHE B 181 -11.363 -4.641 0.751 1.00 0.00 C ATOM 1368 CZ PHE B 181 -10.970 -5.579 1.722 1.00 0.00 C ATOM 0 H PHE B 181 -17.489 -4.452 0.576 1.00 0.00 H new ATOM 0 HA PHE B 181 -15.898 -4.743 2.850 1.00 0.00 H new ATOM 0 HB2 PHE B 181 -15.659 -5.965 0.724 1.00 0.00 H new ATOM 0 HB3 PHE B 181 -15.260 -4.481 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE B 181 -14.046 -6.778 2.593 1.00 0.00 H new ATOM 0 HD2 PHE B 181 -13.023 -3.767 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE B 181 -11.637 -7.079 3.122 1.00 0.00 H new ATOM 0 HE2 PHE B 181 -10.619 -4.047 0.241 1.00 0.00 H new ATOM 0 HZ PHE B 181 -9.924 -5.705 1.960 1.00 0.00 H new ATOM 1378 N LEU B 182 -15.482 -1.842 1.345 1.00 0.00 N ATOM 1379 CA LEU B 182 -14.922 -0.504 1.479 1.00 0.00 C ATOM 1380 C LEU B 182 -15.400 0.102 2.796 1.00 0.00 C ATOM 1381 O LEU B 182 -14.578 0.482 3.628 1.00 0.00 O ATOM 1382 CB LEU B 182 -15.357 0.375 0.289 1.00 0.00 C ATOM 1383 CG LEU B 182 -14.483 1.615 0.018 1.00 0.00 C ATOM 1384 CD1 LEU B 182 -15.162 2.442 -1.070 1.00 0.00 C ATOM 1385 CD2 LEU B 182 -14.230 2.497 1.232 1.00 0.00 C ATOM 0 H LEU B 182 -16.099 -1.943 0.539 1.00 0.00 H new ATOM 0 HA LEU B 182 -13.833 -0.558 1.480 1.00 0.00 H new ATOM 0 HB2 LEU B 182 -15.368 -0.242 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU B 182 -16.381 0.706 0.461 1.00 0.00 H new ATOM 0 HG LEU B 182 -13.502 1.248 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU B 182 -14.563 3.328 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU B 182 -15.257 1.843 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU B 182 -16.152 2.747 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU B 182 -13.606 3.343 0.943 1.00 0.00 H new ATOM 0 HD22 LEU B 182 -15.181 2.863 1.621 1.00 0.00 H new ATOM 0 HD23 LEU B 182 -13.722 1.918 2.003 1.00 0.00 H new ATOM 1397 N THR B 183 -16.714 0.188 3.001 1.00 0.00 N ATOM 1398 CA THR B 183 -17.270 0.766 4.213 1.00 0.00 C ATOM 1399 C THR B 183 -16.766 0.010 5.441 1.00 0.00 C ATOM 1400 O THR B 183 -16.399 0.651 6.426 1.00 0.00 O ATOM 1401 CB THR B 183 -18.800 0.808 4.112 1.00 0.00 C ATOM 1402 OG1 THR B 183 -19.163 1.490 2.923 1.00 0.00 O ATOM 1403 CG2 THR B 183 -19.388 1.556 5.314 1.00 0.00 C ATOM 0 H THR B 183 -17.414 -0.139 2.335 1.00 0.00 H new ATOM 0 HA THR B 183 -16.931 1.796 4.327 1.00 0.00 H new ATOM 0 HB THR B 183 -19.187 -0.211 4.100 1.00 0.00 H new ATOM 0 HG1 THR B 183 -20.140 1.521 2.849 1.00 0.00 H new ATOM 0 HG21 THR B 183 -20.475 1.580 5.232 1.00 0.00 H new ATOM 0 HG22 THR B 183 -19.105 1.045 6.234 1.00 0.00 H new ATOM 0 HG23 THR B 183 -19.003 2.576 5.332 1.00 0.00 H new ATOM 1411 N GLN B 184 -16.691 -1.325 5.394 1.00 0.00 N ATOM 1412 CA GLN B 184 -16.202 -2.108 6.519 1.00 0.00 C ATOM 1413 C GLN B 184 -14.798 -1.632 6.897 1.00 0.00 C ATOM 1414 O GLN B 184 -14.529 -1.431 8.084 1.00 0.00 O ATOM 1415 CB GLN B 184 -16.200 -3.601 6.189 1.00 0.00 C ATOM 1416 CG GLN B 184 -17.604 -4.204 6.059 1.00 0.00 C ATOM 1417 CD GLN B 184 -17.631 -5.607 6.648 1.00 0.00 C ATOM 1418 OE1 GLN B 184 -17.869 -5.773 7.839 1.00 0.00 O ATOM 1419 NE2 GLN B 184 -17.354 -6.641 5.874 1.00 0.00 N ATOM 0 H GLN B 184 -16.965 -1.881 4.584 1.00 0.00 H new ATOM 0 HA GLN B 184 -16.869 -1.962 7.368 1.00 0.00 H new ATOM 0 HB2 GLN B 184 -15.659 -3.757 5.256 1.00 0.00 H new ATOM 0 HB3 GLN B 184 -15.655 -4.136 6.967 1.00 0.00 H new ATOM 0 HG2 GLN B 184 -18.328 -3.572 6.573 1.00 0.00 H new ATOM 0 HG3 GLN B 184 -17.898 -4.237 5.010 1.00 0.00 H new ATOM 0 HE21 GLN B 184 -17.157 -6.498 4.884 1.00 0.00 H new ATOM 0 HE22 GLN B 184 -17.338 -7.582 6.267 1.00 0.00 H new ATOM 1428 N LEU B 185 -13.911 -1.442 5.910 1.00 0.00 N ATOM 1429 CA LEU B 185 -12.553 -0.966 6.150 1.00 0.00 C ATOM 1430 C LEU B 185 -12.596 0.395 6.828 1.00 0.00 C ATOM 1431 O LEU B 185 -11.914 0.591 7.833 1.00 0.00 O ATOM 1432 CB LEU B 185 -11.741 -0.848 4.846 1.00 0.00 C ATOM 1433 CG LEU B 185 -11.033 -2.139 4.423 1.00 0.00 C ATOM 1434 CD1 LEU B 185 -10.461 -1.952 3.014 1.00 0.00 C ATOM 1435 CD2 LEU B 185 -9.901 -2.483 5.403 1.00 0.00 C ATOM 0 H LEU B 185 -14.120 -1.615 4.927 1.00 0.00 H new ATOM 0 HA LEU B 185 -12.063 -1.698 6.792 1.00 0.00 H new ATOM 0 HB2 LEU B 185 -12.409 -0.534 4.044 1.00 0.00 H new ATOM 0 HB3 LEU B 185 -10.996 -0.062 4.966 1.00 0.00 H new ATOM 0 HG LEU B 185 -11.751 -2.959 4.429 1.00 0.00 H new ATOM 0 HD11 LEU B 185 -9.954 -2.866 2.703 1.00 0.00 H new ATOM 0 HD12 LEU B 185 -11.271 -1.731 2.319 1.00 0.00 H new ATOM 0 HD13 LEU B 185 -9.750 -1.126 3.017 1.00 0.00 H new ATOM 0 HD21 LEU B 185 -9.411 -3.403 5.085 1.00 0.00 H new ATOM 0 HD22 LEU B 185 -9.174 -1.671 5.418 1.00 0.00 H new ATOM 0 HD23 LEU B 185 -10.314 -2.619 6.403 1.00 0.00 H new ATOM 1447 N MET B 186 -13.396 1.319 6.292 1.00 0.00 N ATOM 1448 CA MET B 186 -13.527 2.666 6.827 1.00 0.00 C ATOM 1449 C MET B 186 -14.023 2.683 8.275 1.00 0.00 C ATOM 1450 O MET B 186 -13.746 3.644 8.989 1.00 0.00 O ATOM 1451 CB MET B 186 -14.477 3.487 5.950 1.00 0.00 C ATOM 1452 CG MET B 186 -13.956 3.705 4.534 1.00 0.00 C ATOM 1453 SD MET B 186 -15.029 4.755 3.523 1.00 0.00 S ATOM 1454 CE MET B 186 -14.659 6.366 4.243 1.00 0.00 C ATOM 0 H MET B 186 -13.973 1.147 5.469 1.00 0.00 H new ATOM 0 HA MET B 186 -12.530 3.107 6.820 1.00 0.00 H new ATOM 0 HB2 MET B 186 -15.442 2.982 5.901 1.00 0.00 H new ATOM 0 HB3 MET B 186 -14.648 4.456 6.420 1.00 0.00 H new ATOM 0 HG2 MET B 186 -12.965 4.155 4.586 1.00 0.00 H new ATOM 0 HG3 MET B 186 -13.842 2.738 4.045 1.00 0.00 H new ATOM 0 HE1 MET B 186 -15.083 7.151 3.616 1.00 0.00 H new ATOM 0 HE2 MET B 186 -15.092 6.426 5.242 1.00 0.00 H new ATOM 0 HE3 MET B 186 -13.579 6.496 4.307 1.00 0.00 H new ATOM 1464 N GLN B 187 -14.762 1.661 8.712 1.00 0.00 N ATOM 1465 CA GLN B 187 -15.278 1.574 10.070 1.00 0.00 C ATOM 1466 C GLN B 187 -14.230 0.955 10.997 1.00 0.00 C ATOM 1467 O GLN B 187 -13.962 1.526 12.058 1.00 0.00 O ATOM 1468 CB GLN B 187 -16.603 0.800 10.078 1.00 0.00 C ATOM 1469 CG GLN B 187 -17.738 1.539 9.342 1.00 0.00 C ATOM 1470 CD GLN B 187 -18.125 2.844 10.027 1.00 0.00 C ATOM 1471 OE1 GLN B 187 -18.872 2.838 10.999 1.00 0.00 O ATOM 1472 NE2 GLN B 187 -17.614 3.987 9.589 1.00 0.00 N ATOM 0 H GLN B 187 -15.018 0.867 8.125 1.00 0.00 H new ATOM 0 HA GLN B 187 -15.485 2.575 10.449 1.00 0.00 H new ATOM 0 HB2 GLN B 187 -16.451 -0.174 9.614 1.00 0.00 H new ATOM 0 HB3 GLN B 187 -16.905 0.618 11.110 1.00 0.00 H new ATOM 0 HG2 GLN B 187 -17.427 1.748 8.318 1.00 0.00 H new ATOM 0 HG3 GLN B 187 -18.612 0.890 9.284 1.00 0.00 H new ATOM 0 HE21 GLN B 187 -16.993 3.991 8.780 1.00 0.00 H new ATOM 0 HE22 GLN B 187 -17.842 4.862 10.061 1.00 0.00 H new ATOM 1481 N LYS B 188 -13.615 -0.184 10.633 1.00 0.00 N ATOM 1482 CA LYS B 188 -12.596 -0.797 11.496 1.00 0.00 C ATOM 1483 C LYS B 188 -11.390 0.139 11.649 1.00 0.00 C ATOM 1484 O LYS B 188 -10.816 0.236 12.736 1.00 0.00 O ATOM 1485 CB LYS B 188 -12.224 -2.229 11.062 1.00 0.00 C ATOM 1486 CG LYS B 188 -11.596 -2.356 9.668 1.00 0.00 C ATOM 1487 CD LYS B 188 -10.902 -3.701 9.416 1.00 0.00 C ATOM 1488 CE LYS B 188 -11.831 -4.908 9.212 1.00 0.00 C ATOM 1489 NZ LYS B 188 -12.023 -5.707 10.438 1.00 0.00 N ATOM 0 H LYS B 188 -13.802 -0.688 9.766 1.00 0.00 H new ATOM 0 HA LYS B 188 -13.027 -0.924 12.489 1.00 0.00 H new ATOM 0 HB2 LYS B 188 -11.529 -2.642 11.793 1.00 0.00 H new ATOM 0 HB3 LYS B 188 -13.123 -2.844 11.093 1.00 0.00 H new ATOM 0 HG2 LYS B 188 -12.373 -2.213 8.917 1.00 0.00 H new ATOM 0 HG3 LYS B 188 -10.871 -1.554 9.533 1.00 0.00 H new ATOM 0 HD2 LYS B 188 -10.269 -3.601 8.534 1.00 0.00 H new ATOM 0 HD3 LYS B 188 -10.244 -3.912 10.259 1.00 0.00 H new ATOM 0 HE2 LYS B 188 -12.801 -4.557 8.859 1.00 0.00 H new ATOM 0 HE3 LYS B 188 -11.420 -5.547 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 188 -12.658 -6.505 10.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 188 -11.104 -6.069 10.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 188 -12.442 -5.110 11.179 1.00 0.00 H new ATOM 1503 N GLU B 189 -11.034 0.886 10.602 1.00 0.00 N ATOM 1504 CA GLU B 189 -9.917 1.832 10.603 1.00 0.00 C ATOM 1505 C GLU B 189 -10.406 3.282 10.720 1.00 0.00 C ATOM 1506 O GLU B 189 -9.697 4.195 10.304 1.00 0.00 O ATOM 1507 CB GLU B 189 -9.004 1.588 9.383 1.00 0.00 C ATOM 1508 CG GLU B 189 -8.171 0.302 9.478 1.00 0.00 C ATOM 1509 CD GLU B 189 -7.067 0.357 10.544 1.00 0.00 C ATOM 1510 OE1 GLU B 189 -7.386 0.399 11.755 1.00 0.00 O ATOM 1511 OE2 GLU B 189 -5.860 0.326 10.205 1.00 0.00 O ATOM 0 H GLU B 189 -11.526 0.849 9.709 1.00 0.00 H new ATOM 0 HA GLU B 189 -9.309 1.658 11.490 1.00 0.00 H new ATOM 0 HB2 GLU B 189 -9.619 1.546 8.484 1.00 0.00 H new ATOM 0 HB3 GLU B 189 -8.331 2.438 9.269 1.00 0.00 H new ATOM 0 HG2 GLU B 189 -8.834 -0.534 9.698 1.00 0.00 H new ATOM 0 HG3 GLU B 189 -7.717 0.102 8.508 1.00 0.00 H new ATOM 1518 N GLN B 190 -11.572 3.522 11.337 1.00 0.00 N ATOM 1519 CA GLN B 190 -12.156 4.858 11.507 1.00 0.00 C ATOM 1520 C GLN B 190 -11.217 5.915 12.104 1.00 0.00 C ATOM 1521 O GLN B 190 -11.477 7.102 11.912 1.00 0.00 O ATOM 1522 CB GLN B 190 -13.463 4.781 12.316 1.00 0.00 C ATOM 1523 CG GLN B 190 -13.258 4.332 13.773 1.00 0.00 C ATOM 1524 CD GLN B 190 -14.580 4.265 14.527 1.00 0.00 C ATOM 1525 OE1 GLN B 190 -14.931 5.183 15.271 1.00 0.00 O ATOM 1526 NE2 GLN B 190 -15.325 3.188 14.350 1.00 0.00 N ATOM 0 H GLN B 190 -12.145 2.779 11.738 1.00 0.00 H new ATOM 0 HA GLN B 190 -12.360 5.202 10.493 1.00 0.00 H new ATOM 0 HB2 GLN B 190 -13.943 5.760 12.310 1.00 0.00 H new ATOM 0 HB3 GLN B 190 -14.145 4.088 11.823 1.00 0.00 H new ATOM 0 HG2 GLN B 190 -12.778 3.353 13.789 1.00 0.00 H new ATOM 0 HG3 GLN B 190 -12.585 5.025 14.277 1.00 0.00 H new ATOM 0 HE21 GLN B 190 -15.007 2.445 13.728 1.00 0.00 H new ATOM 0 HE22 GLN B 190 -16.218 3.100 14.836 1.00 0.00 H new ATOM 1535 N ARG B 191 -10.169 5.531 12.844 1.00 0.00 N ATOM 1536 CA ARG B 191 -9.219 6.480 13.431 1.00 0.00 C ATOM 1537 C ARG B 191 -7.817 6.315 12.859 1.00 0.00 C ATOM 1538 O ARG B 191 -6.925 7.078 13.241 1.00 0.00 O ATOM 1539 CB ARG B 191 -9.203 6.379 14.964 1.00 0.00 C ATOM 1540 CG ARG B 191 -10.531 6.828 15.594 1.00 0.00 C ATOM 1541 CD ARG B 191 -10.271 7.613 16.881 1.00 0.00 C ATOM 1542 NE ARG B 191 -11.533 8.101 17.457 1.00 0.00 N ATOM 1543 CZ ARG B 191 -12.192 7.614 18.510 1.00 0.00 C ATOM 1544 NH1 ARG B 191 -11.691 6.614 19.228 1.00 0.00 N ATOM 1545 NH2 ARG B 191 -13.360 8.153 18.832 1.00 0.00 N ATOM 0 H ARG B 191 -9.957 4.555 13.051 1.00 0.00 H new ATOM 0 HA ARG B 191 -9.563 7.479 13.162 1.00 0.00 H new ATOM 0 HB2 ARG B 191 -8.995 5.349 15.256 1.00 0.00 H new ATOM 0 HB3 ARG B 191 -8.392 6.992 15.357 1.00 0.00 H new ATOM 0 HG2 ARG B 191 -11.085 7.447 14.888 1.00 0.00 H new ATOM 0 HG3 ARG B 191 -11.151 5.958 15.810 1.00 0.00 H new ATOM 0 HD2 ARG B 191 -9.758 6.978 17.603 1.00 0.00 H new ATOM 0 HD3 ARG B 191 -9.611 8.455 16.672 1.00 0.00 H new ATOM 0 HE ARG B 191 -11.955 8.908 16.997 1.00 0.00 H new ATOM 0 HH11 ARG B 191 -10.790 6.207 18.977 1.00 0.00 H new ATOM 0 HH12 ARG B 191 -12.208 6.253 20.030 1.00 0.00 H new ATOM 0 HH21 ARG B 191 -13.736 8.923 18.279 1.00 0.00 H new ATOM 0 HH22 ARG B 191 -13.882 7.798 19.633 1.00 0.00 H new ATOM 1559 N ASN B 192 -7.555 5.305 12.027 1.00 0.00 N ATOM 1560 CA ASN B 192 -6.226 5.127 11.461 1.00 0.00 C ATOM 1561 C ASN B 192 -6.086 6.063 10.275 1.00 0.00 C ATOM 1562 O ASN B 192 -6.617 5.765 9.207 1.00 0.00 O ATOM 1563 CB ASN B 192 -5.930 3.683 11.042 1.00 0.00 C ATOM 1564 CG ASN B 192 -4.481 3.557 10.575 1.00 0.00 C ATOM 1565 OD1 ASN B 192 -3.648 4.419 10.839 1.00 0.00 O ATOM 1566 ND2 ASN B 192 -4.126 2.474 9.914 1.00 0.00 N ATOM 0 H ASN B 192 -8.240 4.608 11.736 1.00 0.00 H new ATOM 0 HA ASN B 192 -5.496 5.363 12.235 1.00 0.00 H new ATOM 0 HB2 ASN B 192 -6.110 3.009 11.880 1.00 0.00 H new ATOM 0 HB3 ASN B 192 -6.606 3.383 10.241 1.00 0.00 H new ATOM 0 HD21 ASN B 192 -3.157 2.350 9.620 1.00 0.00 H new ATOM 0 HD22 ASN B 192 -4.820 1.759 9.696 1.00 0.00 H new ATOM 1573 N TYR B 193 -5.350 7.161 10.447 1.00 0.00 N ATOM 1574 CA TYR B 193 -5.125 8.139 9.389 1.00 0.00 C ATOM 1575 C TYR B 193 -4.541 7.492 8.129 1.00 0.00 C ATOM 1576 O TYR B 193 -4.708 8.029 7.038 1.00 0.00 O ATOM 1577 CB TYR B 193 -4.216 9.268 9.880 1.00 0.00 C ATOM 1578 CG TYR B 193 -2.805 8.804 10.178 1.00 0.00 C ATOM 1579 CD1 TYR B 193 -2.489 8.268 11.440 1.00 0.00 C ATOM 1580 CD2 TYR B 193 -1.811 8.901 9.185 1.00 0.00 C ATOM 1581 CE1 TYR B 193 -1.199 7.778 11.692 1.00 0.00 C ATOM 1582 CE2 TYR B 193 -0.514 8.427 9.440 1.00 0.00 C ATOM 1583 CZ TYR B 193 -0.207 7.840 10.687 1.00 0.00 C ATOM 1584 OH TYR B 193 1.028 7.327 10.928 1.00 0.00 O ATOM 0 H TYR B 193 -4.893 7.396 11.328 1.00 0.00 H new ATOM 0 HA TYR B 193 -6.095 8.559 9.124 1.00 0.00 H new ATOM 0 HB2 TYR B 193 -4.182 10.054 9.126 1.00 0.00 H new ATOM 0 HB3 TYR B 193 -4.646 9.708 10.780 1.00 0.00 H new ATOM 0 HD1 TYR B 193 -3.240 8.234 12.215 1.00 0.00 H new ATOM 0 HD2 TYR B 193 -2.046 9.340 8.227 1.00 0.00 H new ATOM 0 HE1 TYR B 193 -0.963 7.352 12.656 1.00 0.00 H new ATOM 0 HE2 TYR B 193 0.250 8.512 8.681 1.00 0.00 H new ATOM 0 HH TYR B 193 1.593 7.448 10.136 1.00 0.00 H new ATOM 1594 N GLN B 194 -3.892 6.325 8.227 1.00 0.00 N ATOM 1595 CA GLN B 194 -3.335 5.640 7.063 1.00 0.00 C ATOM 1596 C GLN B 194 -4.434 5.181 6.087 1.00 0.00 C ATOM 1597 O GLN B 194 -4.149 4.818 4.949 1.00 0.00 O ATOM 1598 CB GLN B 194 -2.439 4.490 7.534 1.00 0.00 C ATOM 1599 CG GLN B 194 -1.038 4.574 6.925 1.00 0.00 C ATOM 1600 CD GLN B 194 -0.851 3.600 5.773 1.00 0.00 C ATOM 1601 OE1 GLN B 194 -0.535 2.435 6.006 1.00 0.00 O ATOM 1602 NE2 GLN B 194 -1.085 4.005 4.536 1.00 0.00 N ATOM 0 H GLN B 194 -3.741 5.836 9.109 1.00 0.00 H new ATOM 0 HA GLN B 194 -2.720 6.339 6.496 1.00 0.00 H new ATOM 0 HB2 GLN B 194 -2.364 4.510 8.621 1.00 0.00 H new ATOM 0 HB3 GLN B 194 -2.897 3.539 7.263 1.00 0.00 H new ATOM 0 HG2 GLN B 194 -0.858 5.589 6.572 1.00 0.00 H new ATOM 0 HG3 GLN B 194 -0.296 4.368 7.696 1.00 0.00 H new ATOM 0 HE21 GLN B 194 -1.346 4.975 4.358 1.00 0.00 H new ATOM 0 HE22 GLN B 194 -1.004 3.348 3.760 1.00 0.00 H new ATOM 1611 N PHE B 195 -5.688 5.213 6.531 1.00 0.00 N ATOM 1612 CA PHE B 195 -6.913 4.874 5.811 1.00 0.00 C ATOM 1613 C PHE B 195 -7.793 6.130 5.638 1.00 0.00 C ATOM 1614 O PHE B 195 -8.936 6.014 5.192 1.00 0.00 O ATOM 1615 CB PHE B 195 -7.662 3.749 6.545 1.00 0.00 C ATOM 1616 CG PHE B 195 -7.024 2.384 6.384 1.00 0.00 C ATOM 1617 CD1 PHE B 195 -5.861 2.054 7.099 1.00 0.00 C ATOM 1618 CD2 PHE B 195 -7.570 1.452 5.483 1.00 0.00 C ATOM 1619 CE1 PHE B 195 -5.238 0.807 6.911 1.00 0.00 C ATOM 1620 CE2 PHE B 195 -6.949 0.209 5.292 1.00 0.00 C ATOM 1621 CZ PHE B 195 -5.782 -0.116 6.001 1.00 0.00 C ATOM 0 H PHE B 195 -5.891 5.502 7.488 1.00 0.00 H new ATOM 0 HA PHE B 195 -6.659 4.509 4.816 1.00 0.00 H new ATOM 0 HB2 PHE B 195 -7.715 3.992 7.606 1.00 0.00 H new ATOM 0 HB3 PHE B 195 -8.687 3.707 6.176 1.00 0.00 H new ATOM 0 HD1 PHE B 195 -5.442 2.763 7.798 1.00 0.00 H new ATOM 0 HD2 PHE B 195 -8.470 1.694 4.937 1.00 0.00 H new ATOM 0 HE1 PHE B 195 -4.344 0.559 7.464 1.00 0.00 H new ATOM 0 HE2 PHE B 195 -7.371 -0.501 4.596 1.00 0.00 H new ATOM 0 HZ PHE B 195 -5.304 -1.072 5.848 1.00 0.00 H new ATOM 1631 N ASP B 196 -7.310 7.333 5.985 1.00 0.00 N ATOM 1632 CA ASP B 196 -8.089 8.572 5.844 1.00 0.00 C ATOM 1633 C ASP B 196 -8.324 8.909 4.380 1.00 0.00 C ATOM 1634 O ASP B 196 -9.307 9.582 4.079 1.00 0.00 O ATOM 1635 CB ASP B 196 -7.449 9.794 6.542 1.00 0.00 C ATOM 1636 CG ASP B 196 -7.908 9.995 7.987 1.00 0.00 C ATOM 1637 OD1 ASP B 196 -8.931 9.403 8.391 1.00 0.00 O ATOM 1638 OD2 ASP B 196 -7.297 10.808 8.714 1.00 0.00 O ATOM 0 H ASP B 196 -6.375 7.474 6.368 1.00 0.00 H new ATOM 0 HA ASP B 196 -9.037 8.369 6.343 1.00 0.00 H new ATOM 0 HB2 ASP B 196 -6.365 9.681 6.528 1.00 0.00 H new ATOM 0 HB3 ASP B 196 -7.683 10.691 5.969 1.00 0.00 H new ATOM 1643 N PHE B 197 -7.486 8.411 3.461 1.00 0.00 N ATOM 1644 CA PHE B 197 -7.642 8.668 2.032 1.00 0.00 C ATOM 1645 C PHE B 197 -8.991 8.160 1.506 1.00 0.00 C ATOM 1646 O PHE B 197 -9.452 8.614 0.458 1.00 0.00 O ATOM 1647 CB PHE B 197 -6.466 8.076 1.242 1.00 0.00 C ATOM 1648 CG PHE B 197 -6.437 6.563 1.154 1.00 0.00 C ATOM 1649 CD1 PHE B 197 -7.194 5.901 0.165 1.00 0.00 C ATOM 1650 CD2 PHE B 197 -5.639 5.814 2.039 1.00 0.00 C ATOM 1651 CE1 PHE B 197 -7.141 4.502 0.054 1.00 0.00 C ATOM 1652 CE2 PHE B 197 -5.599 4.415 1.930 1.00 0.00 C ATOM 1653 CZ PHE B 197 -6.345 3.758 0.937 1.00 0.00 C ATOM 0 H PHE B 197 -6.686 7.822 3.691 1.00 0.00 H new ATOM 0 HA PHE B 197 -7.634 9.748 1.885 1.00 0.00 H new ATOM 0 HB2 PHE B 197 -6.489 8.481 0.230 1.00 0.00 H new ATOM 0 HB3 PHE B 197 -5.536 8.414 1.700 1.00 0.00 H new ATOM 0 HD1 PHE B 197 -7.816 6.472 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE B 197 -5.059 6.314 2.800 1.00 0.00 H new ATOM 0 HE1 PHE B 197 -7.713 3.999 -0.711 1.00 0.00 H new ATOM 0 HE2 PHE B 197 -4.991 3.840 2.613 1.00 0.00 H new ATOM 0 HZ PHE B 197 -6.305 2.682 0.854 1.00 0.00 H new ATOM 1663 N LEU B 198 -9.609 7.207 2.214 1.00 0.00 N ATOM 1664 CA LEU B 198 -10.897 6.637 1.858 1.00 0.00 C ATOM 1665 C LEU B 198 -12.034 7.582 2.240 1.00 0.00 C ATOM 1666 O LEU B 198 -13.137 7.413 1.714 1.00 0.00 O ATOM 1667 CB LEU B 198 -11.116 5.304 2.599 1.00 0.00 C ATOM 1668 CG LEU B 198 -10.129 4.183 2.233 1.00 0.00 C ATOM 1669 CD1 LEU B 198 -10.301 3.010 3.204 1.00 0.00 C ATOM 1670 CD2 LEU B 198 -10.352 3.687 0.800 1.00 0.00 C ATOM 0 H LEU B 198 -9.213 6.808 3.065 1.00 0.00 H new ATOM 0 HA LEU B 198 -10.897 6.476 0.780 1.00 0.00 H new ATOM 0 HB2 LEU B 198 -11.051 5.488 3.671 1.00 0.00 H new ATOM 0 HB3 LEU B 198 -12.129 4.956 2.396 1.00 0.00 H new ATOM 0 HG LEU B 198 -9.119 4.587 2.304 1.00 0.00 H new ATOM 0 HD11 LEU B 198 -9.601 2.216 2.943 1.00 0.00 H new ATOM 0 HD12 LEU B 198 -10.104 3.348 4.221 1.00 0.00 H new ATOM 0 HD13 LEU B 198 -11.321 2.630 3.139 1.00 0.00 H new ATOM 0 HD21 LEU B 198 -9.638 2.895 0.574 1.00 0.00 H new ATOM 0 HD22 LEU B 198 -11.366 3.300 0.703 1.00 0.00 H new ATOM 0 HD23 LEU B 198 -10.211 4.513 0.103 1.00 0.00 H new ATOM 1682 N ARG B 199 -11.838 8.508 3.190 1.00 0.00 N ATOM 1683 CA ARG B 199 -12.884 9.436 3.606 1.00 0.00 C ATOM 1684 C ARG B 199 -13.094 10.468 2.502 1.00 0.00 C ATOM 1685 O ARG B 199 -12.123 10.902 1.883 1.00 0.00 O ATOM 1686 CB ARG B 199 -12.547 10.105 4.957 1.00 0.00 C ATOM 1687 CG ARG B 199 -12.533 9.081 6.108 1.00 0.00 C ATOM 1688 CD ARG B 199 -12.743 9.704 7.496 1.00 0.00 C ATOM 1689 NE ARG B 199 -11.520 10.274 8.084 1.00 0.00 N ATOM 1690 CZ ARG B 199 -11.430 11.275 8.970 1.00 0.00 C ATOM 1691 NH1 ARG B 199 -12.484 12.041 9.244 1.00 0.00 N ATOM 1692 NH2 ARG B 199 -10.280 11.489 9.593 1.00 0.00 N ATOM 0 H ARG B 199 -10.954 8.629 3.685 1.00 0.00 H new ATOM 0 HA ARG B 199 -13.812 8.885 3.762 1.00 0.00 H new ATOM 0 HB2 ARG B 199 -11.574 10.592 4.890 1.00 0.00 H new ATOM 0 HB3 ARG B 199 -13.279 10.884 5.171 1.00 0.00 H new ATOM 0 HG2 ARG B 199 -13.312 8.340 5.931 1.00 0.00 H new ATOM 0 HG3 ARG B 199 -11.581 8.551 6.098 1.00 0.00 H new ATOM 0 HD2 ARG B 199 -13.498 10.487 7.422 1.00 0.00 H new ATOM 0 HD3 ARG B 199 -13.138 8.943 8.169 1.00 0.00 H new ATOM 0 HE ARG B 199 -10.639 9.859 7.782 1.00 0.00 H new ATOM 0 HH11 ARG B 199 -13.374 11.869 8.777 1.00 0.00 H new ATOM 0 HH12 ARG B 199 -12.401 12.800 9.921 1.00 0.00 H new ATOM 0 HH21 ARG B 199 -9.475 10.895 9.396 1.00 0.00 H new ATOM 0 HH22 ARG B 199 -10.200 12.248 10.269 1.00 0.00 H new ATOM 1706 N PRO B 200 -14.337 10.929 2.277 1.00 0.00 N ATOM 1707 CA PRO B 200 -14.635 11.917 1.245 1.00 0.00 C ATOM 1708 C PRO B 200 -13.908 13.239 1.487 1.00 0.00 C ATOM 1709 O PRO B 200 -13.733 14.009 0.548 1.00 0.00 O ATOM 1710 CB PRO B 200 -16.160 12.063 1.227 1.00 0.00 C ATOM 1711 CG PRO B 200 -16.592 11.577 2.607 1.00 0.00 C ATOM 1712 CD PRO B 200 -15.558 10.508 2.940 1.00 0.00 C ATOM 0 HA PRO B 200 -14.274 11.593 0.269 1.00 0.00 H new ATOM 0 HB2 PRO B 200 -16.460 13.097 1.056 1.00 0.00 H new ATOM 0 HB3 PRO B 200 -16.609 11.465 0.434 1.00 0.00 H new ATOM 0 HG2 PRO B 200 -16.586 12.385 3.339 1.00 0.00 H new ATOM 0 HG3 PRO B 200 -17.603 11.169 2.592 1.00 0.00 H new ATOM 0 HD2 PRO B 200 -15.411 10.426 4.017 1.00 0.00 H new ATOM 0 HD3 PRO B 200 -15.879 9.528 2.586 1.00 0.00 H new ATOM 1720 N GLN B 201 -13.471 13.486 2.722 1.00 0.00 N ATOM 1721 CA GLN B 201 -12.750 14.673 3.140 1.00 0.00 C ATOM 1722 C GLN B 201 -11.352 14.754 2.498 1.00 0.00 C ATOM 1723 O GLN B 201 -10.751 15.828 2.480 1.00 0.00 O ATOM 1724 CB GLN B 201 -12.604 14.615 4.669 1.00 0.00 C ATOM 1725 CG GLN B 201 -13.924 14.556 5.460 1.00 0.00 C ATOM 1726 CD GLN B 201 -14.466 15.938 5.809 1.00 0.00 C ATOM 1727 OE1 GLN B 201 -14.056 16.530 6.806 1.00 0.00 O ATOM 1728 NE2 GLN B 201 -15.432 16.454 5.069 1.00 0.00 N ATOM 0 H GLN B 201 -13.620 12.829 3.488 1.00 0.00 H new ATOM 0 HA GLN B 201 -13.305 15.555 2.822 1.00 0.00 H new ATOM 0 HB2 GLN B 201 -12.007 13.740 4.926 1.00 0.00 H new ATOM 0 HB3 GLN B 201 -12.044 15.491 4.996 1.00 0.00 H new ATOM 0 HG2 GLN B 201 -14.669 14.016 4.876 1.00 0.00 H new ATOM 0 HG3 GLN B 201 -13.767 13.990 6.378 1.00 0.00 H new ATOM 0 HE21 GLN B 201 -15.765 15.955 4.244 1.00 0.00 H new ATOM 0 HE22 GLN B 201 -15.845 17.352 5.323 1.00 0.00 H new ATOM 1737 N HIS B 202 -10.802 13.641 2.002 1.00 0.00 N ATOM 1738 CA HIS B 202 -9.480 13.594 1.391 1.00 0.00 C ATOM 1739 C HIS B 202 -9.530 13.912 -0.098 1.00 0.00 C ATOM 1740 O HIS B 202 -10.467 13.529 -0.802 1.00 0.00 O ATOM 1741 CB HIS B 202 -8.876 12.199 1.617 1.00 0.00 C ATOM 1742 CG HIS B 202 -7.426 12.252 2.018 1.00 0.00 C ATOM 1743 ND1 HIS B 202 -6.328 12.166 1.187 1.00 0.00 N ATOM 1744 CD2 HIS B 202 -6.968 12.319 3.305 1.00 0.00 C ATOM 1745 CE1 HIS B 202 -5.231 12.176 1.960 1.00 0.00 C ATOM 1746 NE2 HIS B 202 -5.572 12.272 3.254 1.00 0.00 N ATOM 0 H HIS B 202 -11.274 12.737 2.016 1.00 0.00 H new ATOM 0 HA HIS B 202 -8.856 14.355 1.860 1.00 0.00 H new ATOM 0 HB2 HIS B 202 -9.444 11.683 2.391 1.00 0.00 H new ATOM 0 HB3 HIS B 202 -8.975 11.612 0.704 1.00 0.00 H new ATOM 0 HD2 HIS B 202 -7.573 12.394 4.196 1.00 0.00 H new ATOM 0 HE1 HIS B 202 -4.217 12.115 1.592 1.00 0.00 H new ATOM 0 HE2 HIS B 202 -4.934 12.304 4.049 1.00 0.00 H new ATOM 1754 N SER B 203 -8.478 14.554 -0.605 1.00 0.00 N ATOM 1755 CA SER B 203 -8.355 14.907 -2.015 1.00 0.00 C ATOM 1756 C SER B 203 -8.276 13.625 -2.852 1.00 0.00 C ATOM 1757 O SER B 203 -8.919 13.481 -3.893 1.00 0.00 O ATOM 1758 CB SER B 203 -7.073 15.717 -2.201 1.00 0.00 C ATOM 1759 OG SER B 203 -6.973 16.760 -1.254 1.00 0.00 O ATOM 0 H SER B 203 -7.680 14.846 -0.041 1.00 0.00 H new ATOM 0 HA SER B 203 -9.217 15.493 -2.335 1.00 0.00 H new ATOM 0 HB2 SER B 203 -6.210 15.058 -2.109 1.00 0.00 H new ATOM 0 HB3 SER B 203 -7.049 16.135 -3.207 1.00 0.00 H new ATOM 0 HG SER B 203 -6.141 17.256 -1.401 1.00 0.00 H new ATOM 1765 N LEU B 204 -7.514 12.654 -2.333 1.00 0.00 N ATOM 1766 CA LEU B 204 -7.285 11.347 -2.934 1.00 0.00 C ATOM 1767 C LEU B 204 -8.573 10.568 -3.178 1.00 0.00 C ATOM 1768 O LEU B 204 -8.532 9.623 -3.961 1.00 0.00 O ATOM 1769 CB LEU B 204 -6.343 10.501 -2.056 1.00 0.00 C ATOM 1770 CG LEU B 204 -4.914 11.048 -1.920 1.00 0.00 C ATOM 1771 CD1 LEU B 204 -4.103 10.117 -1.013 1.00 0.00 C ATOM 1772 CD2 LEU B 204 -4.220 11.232 -3.275 1.00 0.00 C ATOM 0 H LEU B 204 -7.023 12.769 -1.446 1.00 0.00 H new ATOM 0 HA LEU B 204 -6.825 11.539 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU B 204 -6.779 10.415 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU B 204 -6.292 9.494 -2.470 1.00 0.00 H new ATOM 0 HG LEU B 204 -4.975 12.040 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU B 204 -3.088 10.500 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU B 204 -4.571 10.068 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU B 204 -4.073 9.119 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU B 204 -3.214 11.621 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU B 204 -4.163 10.272 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU B 204 -4.790 11.934 -3.883 1.00 0.00 H new ATOM 1784 N PHE B 205 -9.696 10.932 -2.545 1.00 0.00 N ATOM 1785 CA PHE B 205 -10.958 10.240 -2.741 1.00 0.00 C ATOM 1786 C PHE B 205 -11.343 10.237 -4.219 1.00 0.00 C ATOM 1787 O PHE B 205 -11.833 9.222 -4.705 1.00 0.00 O ATOM 1788 CB PHE B 205 -12.066 10.899 -1.913 1.00 0.00 C ATOM 1789 CG PHE B 205 -13.379 10.135 -1.934 1.00 0.00 C ATOM 1790 CD1 PHE B 205 -14.259 10.227 -3.032 1.00 0.00 C ATOM 1791 CD2 PHE B 205 -13.730 9.333 -0.836 1.00 0.00 C ATOM 1792 CE1 PHE B 205 -15.481 9.533 -3.019 1.00 0.00 C ATOM 1793 CE2 PHE B 205 -14.976 8.683 -0.798 1.00 0.00 C ATOM 1794 CZ PHE B 205 -15.849 8.776 -1.893 1.00 0.00 C ATOM 0 H PHE B 205 -9.746 11.711 -1.888 1.00 0.00 H new ATOM 0 HA PHE B 205 -10.837 9.209 -2.408 1.00 0.00 H new ATOM 0 HB2 PHE B 205 -11.728 10.995 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE B 205 -12.237 11.908 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE B 205 -13.993 10.833 -3.886 1.00 0.00 H new ATOM 0 HD2 PHE B 205 -13.038 9.215 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE B 205 -16.138 9.581 -3.875 1.00 0.00 H new ATOM 0 HE2 PHE B 205 -15.261 8.112 0.073 1.00 0.00 H new ATOM 0 HZ PHE B 205 -16.801 8.267 -1.871 1.00 0.00 H new ATOM 1804 N ASN B 206 -11.131 11.350 -4.936 1.00 0.00 N ATOM 1805 CA ASN B 206 -11.472 11.450 -6.345 1.00 0.00 C ATOM 1806 C ASN B 206 -10.663 10.431 -7.139 1.00 0.00 C ATOM 1807 O ASN B 206 -11.253 9.643 -7.867 1.00 0.00 O ATOM 1808 CB ASN B 206 -11.232 12.869 -6.862 1.00 0.00 C ATOM 1809 CG ASN B 206 -12.087 13.917 -6.174 1.00 0.00 C ATOM 1810 OD1 ASN B 206 -11.562 14.787 -5.485 1.00 0.00 O ATOM 1811 ND2 ASN B 206 -13.400 13.853 -6.300 1.00 0.00 N ATOM 0 H ASN B 206 -10.719 12.199 -4.548 1.00 0.00 H new ATOM 0 HA ASN B 206 -12.532 11.231 -6.472 1.00 0.00 H new ATOM 0 HB2 ASN B 206 -10.181 13.123 -6.727 1.00 0.00 H new ATOM 0 HB3 ASN B 206 -11.431 12.895 -7.933 1.00 0.00 H new ATOM 0 HD21 ASN B 206 -13.992 14.532 -5.821 1.00 0.00 H new ATOM 0 HD22 ASN B 206 -13.822 13.125 -6.876 1.00 0.00 H new ATOM 1818 N TYR B 207 -9.333 10.421 -6.996 1.00 0.00 N ATOM 1819 CA TYR B 207 -8.460 9.471 -7.687 1.00 0.00 C ATOM 1820 C TYR B 207 -8.888 8.042 -7.339 1.00 0.00 C ATOM 1821 O TYR B 207 -9.001 7.195 -8.222 1.00 0.00 O ATOM 1822 CB TYR B 207 -6.996 9.736 -7.289 1.00 0.00 C ATOM 1823 CG TYR B 207 -6.002 8.623 -7.591 1.00 0.00 C ATOM 1824 CD1 TYR B 207 -5.966 8.008 -8.857 1.00 0.00 C ATOM 1825 CD2 TYR B 207 -5.106 8.194 -6.591 1.00 0.00 C ATOM 1826 CE1 TYR B 207 -5.054 6.973 -9.118 1.00 0.00 C ATOM 1827 CE2 TYR B 207 -4.193 7.159 -6.841 1.00 0.00 C ATOM 1828 CZ TYR B 207 -4.178 6.533 -8.104 1.00 0.00 C ATOM 1829 OH TYR B 207 -3.281 5.543 -8.366 1.00 0.00 O ATOM 0 H TYR B 207 -8.832 11.075 -6.395 1.00 0.00 H new ATOM 0 HA TYR B 207 -8.544 9.597 -8.766 1.00 0.00 H new ATOM 0 HB2 TYR B 207 -6.662 10.640 -7.798 1.00 0.00 H new ATOM 0 HB3 TYR B 207 -6.964 9.942 -6.219 1.00 0.00 H new ATOM 0 HD1 TYR B 207 -6.644 8.334 -9.632 1.00 0.00 H new ATOM 0 HD2 TYR B 207 -5.123 8.668 -5.621 1.00 0.00 H new ATOM 0 HE1 TYR B 207 -5.023 6.514 -10.095 1.00 0.00 H new ATOM 0 HE2 TYR B 207 -3.505 6.843 -6.070 1.00 0.00 H new ATOM 0 HH TYR B 207 -2.685 5.825 -9.091 1.00 0.00 H new ATOM 1839 N PHE B 208 -9.170 7.792 -6.059 1.00 0.00 N ATOM 1840 CA PHE B 208 -9.591 6.496 -5.574 1.00 0.00 C ATOM 1841 C PHE B 208 -10.871 6.046 -6.280 1.00 0.00 C ATOM 1842 O PHE B 208 -10.859 4.980 -6.896 1.00 0.00 O ATOM 1843 CB PHE B 208 -9.710 6.516 -4.044 1.00 0.00 C ATOM 1844 CG PHE B 208 -10.229 5.220 -3.460 1.00 0.00 C ATOM 1845 CD1 PHE B 208 -11.615 5.008 -3.357 1.00 0.00 C ATOM 1846 CD2 PHE B 208 -9.337 4.211 -3.050 1.00 0.00 C ATOM 1847 CE1 PHE B 208 -12.105 3.792 -2.856 1.00 0.00 C ATOM 1848 CE2 PHE B 208 -9.830 3.007 -2.522 1.00 0.00 C ATOM 1849 CZ PHE B 208 -11.215 2.799 -2.417 1.00 0.00 C ATOM 0 H PHE B 208 -9.108 8.500 -5.328 1.00 0.00 H new ATOM 0 HA PHE B 208 -8.834 5.750 -5.817 1.00 0.00 H new ATOM 0 HB2 PHE B 208 -8.732 6.732 -3.615 1.00 0.00 H new ATOM 0 HB3 PHE B 208 -10.374 7.329 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE B 208 -12.303 5.782 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE B 208 -8.272 4.363 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE B 208 -13.170 3.620 -2.808 1.00 0.00 H new ATOM 0 HE2 PHE B 208 -9.143 2.240 -2.196 1.00 0.00 H new ATOM 0 HZ PHE B 208 -11.594 1.878 -2.000 1.00 0.00 H new ATOM 1859 N THR B 209 -11.966 6.818 -6.213 1.00 0.00 N ATOM 1860 CA THR B 209 -13.215 6.438 -6.870 1.00 0.00 C ATOM 1861 C THR B 209 -12.975 6.313 -8.376 1.00 0.00 C ATOM 1862 O THR B 209 -13.432 5.346 -8.970 1.00 0.00 O ATOM 1863 CB THR B 209 -14.390 7.359 -6.470 1.00 0.00 C ATOM 1864 OG1 THR B 209 -15.631 6.828 -6.895 1.00 0.00 O ATOM 1865 CG2 THR B 209 -14.330 8.782 -7.016 1.00 0.00 C ATOM 0 H THR B 209 -12.007 7.705 -5.711 1.00 0.00 H new ATOM 0 HA THR B 209 -13.534 5.456 -6.520 1.00 0.00 H new ATOM 0 HB THR B 209 -14.298 7.404 -5.385 1.00 0.00 H new ATOM 0 HG1 THR B 209 -16.354 7.432 -6.626 1.00 0.00 H new ATOM 0 HG21 THR B 209 -15.202 9.340 -6.674 1.00 0.00 H new ATOM 0 HG22 THR B 209 -13.424 9.271 -6.659 1.00 0.00 H new ATOM 0 HG23 THR B 209 -14.322 8.754 -8.106 1.00 0.00 H new ATOM 1873 N LYS B 210 -12.208 7.213 -9.003 1.00 0.00 N ATOM 1874 CA LYS B 210 -11.920 7.145 -10.436 1.00 0.00 C ATOM 1875 C LYS B 210 -11.296 5.794 -10.787 1.00 0.00 C ATOM 1876 O LYS B 210 -11.561 5.281 -11.874 1.00 0.00 O ATOM 1877 CB LYS B 210 -11.034 8.325 -10.850 1.00 0.00 C ATOM 1878 CG LYS B 210 -11.832 9.626 -11.005 1.00 0.00 C ATOM 1879 CD LYS B 210 -10.877 10.819 -11.137 1.00 0.00 C ATOM 1880 CE LYS B 210 -11.600 11.997 -11.798 1.00 0.00 C ATOM 1881 NZ LYS B 210 -10.673 13.081 -12.172 1.00 0.00 N ATOM 0 H LYS B 210 -11.772 8.005 -8.531 1.00 0.00 H new ATOM 0 HA LYS B 210 -12.849 7.224 -11.001 1.00 0.00 H new ATOM 0 HB2 LYS B 210 -10.252 8.468 -10.105 1.00 0.00 H new ATOM 0 HB3 LYS B 210 -10.538 8.091 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS B 210 -12.474 9.565 -11.884 1.00 0.00 H new ATOM 0 HG3 LYS B 210 -12.484 9.766 -10.143 1.00 0.00 H new ATOM 0 HD2 LYS B 210 -10.510 11.112 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS B 210 -10.008 10.536 -11.730 1.00 0.00 H new ATOM 0 HE2 LYS B 210 -12.124 11.647 -12.687 1.00 0.00 H new ATOM 0 HE3 LYS B 210 -12.355 12.387 -11.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 -11.206 13.856 -12.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 -10.191 13.435 -11.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 -9.967 12.718 -12.844 1.00 0.00 H new ATOM 1895 N LEU B 211 -10.471 5.213 -9.911 1.00 0.00 N ATOM 1896 CA LEU B 211 -9.864 3.909 -10.139 1.00 0.00 C ATOM 1897 C LEU B 211 -10.914 2.822 -9.899 1.00 0.00 C ATOM 1898 O LEU B 211 -11.025 1.944 -10.749 1.00 0.00 O ATOM 1899 CB LEU B 211 -8.637 3.688 -9.235 1.00 0.00 C ATOM 1900 CG LEU B 211 -7.298 4.081 -9.887 1.00 0.00 C ATOM 1901 CD1 LEU B 211 -6.153 3.840 -8.904 1.00 0.00 C ATOM 1902 CD2 LEU B 211 -6.994 3.250 -11.138 1.00 0.00 C ATOM 0 H LEU B 211 -10.208 5.639 -9.023 1.00 0.00 H new ATOM 0 HA LEU B 211 -9.513 3.861 -11.170 1.00 0.00 H new ATOM 0 HB2 LEU B 211 -8.766 4.264 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU B 211 -8.595 2.637 -8.948 1.00 0.00 H new ATOM 0 HG LEU B 211 -7.384 5.132 -10.162 1.00 0.00 H new ATOM 0 HD11 LEU B 211 -5.208 4.120 -9.370 1.00 0.00 H new ATOM 0 HD12 LEU B 211 -6.309 4.443 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU B 211 -6.124 2.785 -8.630 1.00 0.00 H new ATOM 0 HD21 LEU B 211 -6.040 3.565 -11.561 1.00 0.00 H new ATOM 0 HD22 LEU B 211 -6.942 2.195 -10.870 1.00 0.00 H new ATOM 0 HD23 LEU B 211 -7.784 3.399 -11.874 1.00 0.00 H new ATOM 1914 N VAL B 212 -11.678 2.845 -8.794 1.00 0.00 N ATOM 1915 CA VAL B 212 -12.705 1.829 -8.528 1.00 0.00 C ATOM 1916 C VAL B 212 -13.676 1.763 -9.705 1.00 0.00 C ATOM 1917 O VAL B 212 -13.898 0.686 -10.242 1.00 0.00 O ATOM 1918 CB VAL B 212 -13.485 2.097 -7.222 1.00 0.00 C ATOM 1919 CG1 VAL B 212 -14.525 0.999 -6.957 1.00 0.00 C ATOM 1920 CG2 VAL B 212 -12.572 2.137 -5.993 1.00 0.00 C ATOM 0 H VAL B 212 -11.602 3.559 -8.070 1.00 0.00 H new ATOM 0 HA VAL B 212 -12.192 0.875 -8.405 1.00 0.00 H new ATOM 0 HB VAL B 212 -13.961 3.067 -7.368 1.00 0.00 H new ATOM 0 HG11 VAL B 212 -15.057 1.217 -6.031 1.00 0.00 H new ATOM 0 HG12 VAL B 212 -15.235 0.963 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL B 212 -14.023 0.036 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL B 212 -13.170 2.328 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL B 212 -12.061 1.180 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL B 212 -11.835 2.931 -6.113 1.00 0.00 H new ATOM 1930 N GLU B 213 -14.202 2.908 -10.133 1.00 0.00 N ATOM 1931 CA GLU B 213 -15.151 3.052 -11.231 1.00 0.00 C ATOM 1932 C GLU B 213 -14.552 2.558 -12.551 1.00 0.00 C ATOM 1933 O GLU B 213 -15.295 2.233 -13.473 1.00 0.00 O ATOM 1934 CB GLU B 213 -15.568 4.527 -11.342 1.00 0.00 C ATOM 1935 CG GLU B 213 -16.232 5.085 -10.069 1.00 0.00 C ATOM 1936 CD GLU B 213 -17.731 4.839 -9.996 1.00 0.00 C ATOM 1937 OE1 GLU B 213 -18.167 3.668 -10.001 1.00 0.00 O ATOM 1938 OE2 GLU B 213 -18.477 5.843 -9.902 1.00 0.00 O ATOM 0 H GLU B 213 -13.966 3.802 -9.702 1.00 0.00 H new ATOM 0 HA GLU B 213 -16.028 2.439 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU B 213 -14.688 5.127 -11.574 1.00 0.00 H new ATOM 0 HB3 GLU B 213 -16.258 4.637 -12.178 1.00 0.00 H new ATOM 0 HG2 GLU B 213 -15.757 4.635 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU B 213 -16.047 6.158 -10.015 1.00 0.00 H new ATOM 1945 N GLN B 214 -13.223 2.526 -12.672 1.00 0.00 N ATOM 1946 CA GLN B 214 -12.546 2.047 -13.862 1.00 0.00 C ATOM 1947 C GLN B 214 -12.325 0.533 -13.747 1.00 0.00 C ATOM 1948 O GLN B 214 -12.228 -0.154 -14.767 1.00 0.00 O ATOM 1949 CB GLN B 214 -11.225 2.804 -14.035 1.00 0.00 C ATOM 1950 CG GLN B 214 -10.540 2.464 -15.361 1.00 0.00 C ATOM 1951 CD GLN B 214 -9.618 3.588 -15.816 1.00 0.00 C ATOM 1952 OE1 GLN B 214 -9.887 4.288 -16.789 1.00 0.00 O ATOM 1953 NE2 GLN B 214 -8.516 3.794 -15.122 1.00 0.00 N ATOM 0 H GLN B 214 -12.588 2.836 -11.936 1.00 0.00 H new ATOM 0 HA GLN B 214 -13.156 2.231 -14.747 1.00 0.00 H new ATOM 0 HB2 GLN B 214 -11.413 3.877 -13.988 1.00 0.00 H new ATOM 0 HB3 GLN B 214 -10.557 2.561 -13.209 1.00 0.00 H new ATOM 0 HG2 GLN B 214 -9.967 1.544 -15.250 1.00 0.00 H new ATOM 0 HG3 GLN B 214 -11.295 2.279 -16.125 1.00 0.00 H new ATOM 0 HE21 GLN B 214 -8.304 3.206 -14.316 1.00 0.00 H new ATOM 0 HE22 GLN B 214 -7.876 4.541 -15.391 1.00 0.00 H new ATOM 1962 N TYR B 215 -12.207 0.005 -12.530 1.00 0.00 N ATOM 1963 CA TYR B 215 -12.007 -1.404 -12.242 1.00 0.00 C ATOM 1964 C TYR B 215 -13.335 -2.166 -12.277 1.00 0.00 C ATOM 1965 O TYR B 215 -13.332 -3.326 -12.700 1.00 0.00 O ATOM 1966 CB TYR B 215 -11.339 -1.562 -10.873 1.00 0.00 C ATOM 1967 CG TYR B 215 -9.918 -1.047 -10.703 1.00 0.00 C ATOM 1968 CD1 TYR B 215 -8.971 -1.098 -11.747 1.00 0.00 C ATOM 1969 CD2 TYR B 215 -9.521 -0.581 -9.435 1.00 0.00 C ATOM 1970 CE1 TYR B 215 -7.628 -0.757 -11.505 1.00 0.00 C ATOM 1971 CE2 TYR B 215 -8.189 -0.217 -9.189 1.00 0.00 C ATOM 1972 CZ TYR B 215 -7.230 -0.331 -10.218 1.00 0.00 C ATOM 1973 OH TYR B 215 -5.921 -0.056 -9.961 1.00 0.00 O ATOM 0 H TYR B 215 -12.251 0.576 -11.686 1.00 0.00 H new ATOM 0 HA TYR B 215 -11.358 -1.826 -13.010 1.00 0.00 H new ATOM 0 HB2 TYR B 215 -11.966 -1.059 -10.137 1.00 0.00 H new ATOM 0 HB3 TYR B 215 -11.341 -2.623 -10.622 1.00 0.00 H new ATOM 0 HD1 TYR B 215 -9.279 -1.400 -12.737 1.00 0.00 H new ATOM 0 HD2 TYR B 215 -10.251 -0.503 -8.643 1.00 0.00 H new ATOM 0 HE1 TYR B 215 -6.902 -0.821 -12.302 1.00 0.00 H new ATOM 0 HE2 TYR B 215 -7.898 0.149 -8.215 1.00 0.00 H new ATOM 0 HH TYR B 215 -5.823 0.225 -9.027 1.00 0.00 H new ATOM 1983 N THR B 216 -14.445 -1.570 -11.830 1.00 0.00 N ATOM 1984 CA THR B 216 -15.746 -2.226 -11.847 1.00 0.00 C ATOM 1985 C THR B 216 -16.219 -2.427 -13.293 1.00 0.00 C ATOM 1986 O THR B 216 -15.704 -1.793 -14.222 1.00 0.00 O ATOM 1987 CB THR B 216 -16.765 -1.404 -11.022 1.00 0.00 C ATOM 1988 OG1 THR B 216 -16.685 -0.004 -11.234 1.00 0.00 O ATOM 1989 CG2 THR B 216 -16.555 -1.650 -9.529 1.00 0.00 C ATOM 0 H THR B 216 -14.462 -0.624 -11.449 1.00 0.00 H new ATOM 0 HA THR B 216 -15.660 -3.210 -11.387 1.00 0.00 H new ATOM 0 HB THR B 216 -17.744 -1.743 -11.361 1.00 0.00 H new ATOM 0 HG1 THR B 216 -17.357 0.449 -10.683 1.00 0.00 H new ATOM 0 HG21 THR B 216 -17.278 -1.066 -8.959 1.00 0.00 H new ATOM 0 HG22 THR B 216 -16.692 -2.709 -9.312 1.00 0.00 H new ATOM 0 HG23 THR B 216 -15.545 -1.350 -9.249 1.00 0.00 H new