USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 155 CYS SG : rot -176:sc= 0.0671 USER MOD Set 1.2: A 191 SER OG : rot -100:sc= -1.07! USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -148:sc= -7.67! (180deg=-13.4!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 LYS NZ :NH3+ -124:sc= 0.0762 (180deg=-0.00239) USER MOD Single : A 162 SER OG : rot 31:sc= 0.318 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 167 ASN : amide:sc= -3.14 K(o=-3.1,f=-3.9!) USER MOD Single : A 169 HIS :FLIP no HD1:sc= -2.09 F(o=-4.1!,f=-2.1) USER MOD Single : A 170 SER OG : rot 180:sc=-0.00725 USER MOD Single : A 172 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00267) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 GLN : amide:sc= -2.03 K(o=-2,f=-3.2) USER MOD Single : A 181 SER OG : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot -133:sc= -1.59 USER MOD Single : A 196 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 203 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.44) USER MOD Single : A 206 CYS SG : rot 180:sc= -2.99! USER MOD Single : A 207 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 210 LYS NZ :NH3+ 164:sc= -0.127 (180deg=-0.316) USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 212 HIS : no HD1:sc=-0.00648 X(o=-0.0065,f=-0.3) USER MOD Single : A 217 SER OG : rot 67:sc= 1.12 USER MOD Single : A 226 THR OG1 : rot 180:sc= -0.0543 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 151 12.566 -1.757 3.922 1.00 0.00 N ATOM 126 CA ARG A 151 11.843 -1.024 4.971 1.00 0.00 C ATOM 127 C ARG A 151 10.386 -0.742 4.585 1.00 0.00 C ATOM 128 O ARG A 151 10.114 -0.116 3.561 1.00 0.00 O ATOM 129 CB ARG A 151 12.564 0.287 5.310 1.00 0.00 C ATOM 130 CG ARG A 151 12.470 1.354 4.229 1.00 0.00 C ATOM 131 CD ARG A 151 12.771 2.739 4.782 1.00 0.00 C ATOM 132 NE ARG A 151 11.858 3.118 5.861 1.00 0.00 N ATOM 133 CZ ARG A 151 12.133 2.976 7.157 1.00 0.00 C ATOM 134 NH1 ARG A 151 13.279 2.431 7.549 1.00 0.00 N ATOM 135 NH2 ARG A 151 11.254 3.374 8.067 1.00 0.00 N ATOM 0 HA ARG A 151 11.829 -1.664 5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 151 12.149 0.687 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 151 13.615 0.071 5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 151 13.170 1.122 3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 151 11.471 1.345 3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 151 13.796 2.765 5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 151 12.703 3.471 3.978 1.00 0.00 H new ATOM 0 HE ARG A 151 10.954 3.516 5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 151 13.958 2.117 6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 151 13.480 2.327 8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 151 10.369 3.788 7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 151 11.463 3.266 9.059 1.00 0.00 H new ATOM 149 N PRO A 152 9.426 -1.215 5.401 1.00 0.00 N ATOM 150 CA PRO A 152 8.002 -1.017 5.138 1.00 0.00 C ATOM 151 C PRO A 152 7.516 0.365 5.560 1.00 0.00 C ATOM 152 O PRO A 152 7.893 0.872 6.616 1.00 0.00 O ATOM 153 CB PRO A 152 7.344 -2.093 5.994 1.00 0.00 C ATOM 154 CG PRO A 152 8.259 -2.251 7.158 1.00 0.00 C ATOM 155 CD PRO A 152 9.651 -1.986 6.641 1.00 0.00 C ATOM 0 HA PRO A 152 7.768 -1.085 4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 152 6.345 -1.793 6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 152 7.236 -3.028 5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 152 8.000 -1.552 7.954 1.00 0.00 H new ATOM 0 HG3 PRO A 152 8.185 -3.254 7.578 1.00 0.00 H new ATOM 0 HD2 PRO A 152 10.244 -1.422 7.361 1.00 0.00 H new ATOM 0 HD3 PRO A 152 10.188 -2.914 6.443 1.00 0.00 H new ATOM 163 N ARG A 153 6.669 0.961 4.733 1.00 0.00 N ATOM 164 CA ARG A 153 6.116 2.277 5.021 1.00 0.00 C ATOM 165 C ARG A 153 4.763 2.145 5.711 1.00 0.00 C ATOM 166 O ARG A 153 3.957 1.284 5.356 1.00 0.00 O ATOM 167 CB ARG A 153 5.964 3.087 3.732 1.00 0.00 C ATOM 168 CG ARG A 153 7.286 3.487 3.100 1.00 0.00 C ATOM 169 CD ARG A 153 7.114 3.839 1.631 1.00 0.00 C ATOM 170 NE ARG A 153 8.199 4.684 1.138 1.00 0.00 N ATOM 171 CZ ARG A 153 8.292 5.112 -0.120 1.00 0.00 C ATOM 172 NH1 ARG A 153 7.368 4.778 -1.012 1.00 0.00 N ATOM 173 NH2 ARG A 153 9.312 5.876 -0.486 1.00 0.00 N ATOM 0 H ARG A 153 6.349 0.553 3.855 1.00 0.00 H new ATOM 0 HA ARG A 153 6.804 2.799 5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 153 5.390 2.503 3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 153 5.387 3.987 3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 153 7.703 4.341 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 153 8.000 2.670 3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 153 7.072 2.923 1.042 1.00 0.00 H new ATOM 0 HD3 ARG A 153 6.163 4.352 1.491 1.00 0.00 H new ATOM 0 HE ARG A 153 8.928 4.962 1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 153 6.581 4.191 -0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 153 7.445 5.109 -1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 153 10.025 6.136 0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 153 9.384 6.204 -1.449 1.00 0.00 H new ATOM 187 N LEU A 154 4.518 2.996 6.699 1.00 0.00 N ATOM 188 CA LEU A 154 3.260 2.965 7.435 1.00 0.00 C ATOM 189 C LEU A 154 2.272 3.977 6.871 1.00 0.00 C ATOM 190 O LEU A 154 2.536 5.180 6.855 1.00 0.00 O ATOM 191 CB LEU A 154 3.503 3.243 8.920 1.00 0.00 C ATOM 192 CG LEU A 154 2.261 3.145 9.808 1.00 0.00 C ATOM 193 CD1 LEU A 154 1.905 1.690 10.068 1.00 0.00 C ATOM 194 CD2 LEU A 154 2.485 3.884 11.119 1.00 0.00 C ATOM 0 H LEU A 154 5.172 3.715 7.009 1.00 0.00 H new ATOM 0 HA LEU A 154 2.832 1.969 7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 154 4.251 2.540 9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.927 4.242 9.023 1.00 0.00 H new ATOM 0 HG LEU A 154 1.426 3.614 9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 154 1.019 1.640 10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 154 1.703 1.190 9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 154 2.737 1.196 10.569 1.00 0.00 H new ATOM 0 HD21 LEU A 154 1.592 3.804 11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 154 3.332 3.443 11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 154 2.692 4.934 10.914 1.00 0.00 H new ATOM 206 N CYS A 155 1.132 3.478 6.411 1.00 0.00 N ATOM 207 CA CYS A 155 0.094 4.327 5.846 1.00 0.00 C ATOM 208 C CYS A 155 -1.171 4.261 6.694 1.00 0.00 C ATOM 209 O CYS A 155 -1.688 3.180 6.975 1.00 0.00 O ATOM 210 CB CYS A 155 -0.208 3.902 4.407 1.00 0.00 C ATOM 211 SG CYS A 155 -1.424 4.935 3.561 1.00 0.00 S ATOM 0 H CYS A 155 0.903 2.484 6.419 1.00 0.00 H new ATOM 0 HA CYS A 155 0.451 5.357 5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.720 3.914 3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -0.566 2.872 4.413 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.668 4.442 2.383 1.00 0.00 H new ATOM 217 N THR A 156 -1.666 5.425 7.097 1.00 0.00 N ATOM 218 CA THR A 156 -2.874 5.506 7.911 1.00 0.00 C ATOM 219 C THR A 156 -3.789 6.601 7.385 1.00 0.00 C ATOM 220 O THR A 156 -3.570 7.785 7.644 1.00 0.00 O ATOM 221 CB THR A 156 -2.518 5.783 9.373 1.00 0.00 C ATOM 222 OG1 THR A 156 -1.371 5.047 9.759 1.00 0.00 O ATOM 223 CG2 THR A 156 -3.632 5.435 10.337 1.00 0.00 C ATOM 0 H THR A 156 -1.249 6.328 6.873 1.00 0.00 H new ATOM 0 HA THR A 156 -3.393 4.549 7.852 1.00 0.00 H new ATOM 0 HB THR A 156 -2.335 6.856 9.426 1.00 0.00 H new ATOM 0 HG1 THR A 156 -1.159 5.239 10.696 1.00 0.00 H new ATOM 0 HG21 THR A 156 -3.314 5.656 11.356 1.00 0.00 H new ATOM 0 HG22 THR A 156 -4.517 6.024 10.098 1.00 0.00 H new ATOM 0 HG23 THR A 156 -3.868 4.374 10.252 1.00 0.00 H new ATOM 231 N MET A 157 -4.803 6.203 6.627 1.00 0.00 N ATOM 232 CA MET A 157 -5.734 7.162 6.046 1.00 0.00 C ATOM 233 C MET A 157 -7.125 7.040 6.651 1.00 0.00 C ATOM 234 O MET A 157 -7.603 5.941 6.935 1.00 0.00 O ATOM 235 CB MET A 157 -5.815 6.964 4.535 1.00 0.00 C ATOM 236 CG MET A 157 -6.376 5.611 4.129 1.00 0.00 C ATOM 237 SD MET A 157 -6.917 5.573 2.411 1.00 0.00 S ATOM 238 CE MET A 157 -5.340 5.634 1.565 1.00 0.00 C ATOM 0 H MET A 157 -5.001 5.228 6.401 1.00 0.00 H new ATOM 0 HA MET A 157 -5.356 8.160 6.269 1.00 0.00 H new ATOM 0 HB2 MET A 157 -6.437 7.750 4.107 1.00 0.00 H new ATOM 0 HB3 MET A 157 -4.819 7.078 4.108 1.00 0.00 H new ATOM 0 HG2 MET A 157 -5.616 4.845 4.284 1.00 0.00 H new ATOM 0 HG3 MET A 157 -7.217 5.361 4.776 1.00 0.00 H new ATOM 0 HE1 MET A 157 -5.454 6.166 0.621 1.00 0.00 H new ATOM 0 HE2 MET A 157 -4.612 6.153 2.189 1.00 0.00 H new ATOM 0 HE3 MET A 157 -4.992 4.620 1.370 1.00 0.00 H new ATOM 248 N LYS A 158 -7.775 8.184 6.823 1.00 0.00 N ATOM 249 CA LYS A 158 -9.123 8.230 7.370 1.00 0.00 C ATOM 250 C LYS A 158 -10.127 8.498 6.254 1.00 0.00 C ATOM 251 O LYS A 158 -10.055 9.523 5.576 1.00 0.00 O ATOM 252 CB LYS A 158 -9.226 9.312 8.446 1.00 0.00 C ATOM 253 CG LYS A 158 -8.558 8.931 9.758 1.00 0.00 C ATOM 254 CD LYS A 158 -8.252 10.157 10.603 1.00 0.00 C ATOM 255 CE LYS A 158 -7.844 9.772 12.016 1.00 0.00 C ATOM 256 NZ LYS A 158 -9.013 9.724 12.937 1.00 0.00 N ATOM 0 H LYS A 158 -7.386 9.098 6.589 1.00 0.00 H new ATOM 0 HA LYS A 158 -9.350 7.267 7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -8.774 10.230 8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -10.278 9.528 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -9.207 8.256 10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -7.635 8.389 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -7.452 10.732 10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -9.129 10.803 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -7.354 8.798 12.000 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -7.115 10.490 12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -8.693 9.458 13.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -9.466 10.660 12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -9.698 9.021 12.593 1.00 0.00 H new ATOM 270 N LYS A 159 -11.053 7.567 6.057 1.00 0.00 N ATOM 271 CA LYS A 159 -12.058 7.704 5.008 1.00 0.00 C ATOM 272 C LYS A 159 -12.871 8.983 5.191 1.00 0.00 C ATOM 273 O LYS A 159 -12.631 9.982 4.512 1.00 0.00 O ATOM 274 CB LYS A 159 -12.974 6.476 4.996 1.00 0.00 C ATOM 275 CG LYS A 159 -14.264 6.663 4.209 1.00 0.00 C ATOM 276 CD LYS A 159 -13.986 7.083 2.776 1.00 0.00 C ATOM 277 CE LYS A 159 -15.101 6.643 1.842 1.00 0.00 C ATOM 278 NZ LYS A 159 -16.249 7.591 1.862 1.00 0.00 N ATOM 0 H LYS A 159 -11.129 6.712 6.607 1.00 0.00 H new ATOM 0 HA LYS A 159 -11.547 7.771 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -12.426 5.633 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -13.224 6.214 6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -14.832 5.733 4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -14.883 7.416 4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -13.876 8.166 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -13.041 6.651 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -14.714 6.564 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -15.445 5.650 2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -17.120 7.077 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -16.075 8.332 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -16.355 8.027 0.924 1.00 0.00 H new ATOM 292 N GLY A 160 -13.833 8.947 6.107 1.00 0.00 N ATOM 293 CA GLY A 160 -14.663 10.113 6.350 1.00 0.00 C ATOM 294 C GLY A 160 -15.333 10.619 5.086 1.00 0.00 C ATOM 295 O GLY A 160 -15.574 9.846 4.158 1.00 0.00 O ATOM 0 H GLY A 160 -14.052 8.135 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -15.426 9.865 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -14.052 10.908 6.777 1.00 0.00 H new ATOM 299 N PRO A 161 -15.648 11.923 5.018 1.00 0.00 N ATOM 300 CA PRO A 161 -16.296 12.521 3.850 1.00 0.00 C ATOM 301 C PRO A 161 -15.317 12.818 2.714 1.00 0.00 C ATOM 302 O PRO A 161 -15.710 13.334 1.668 1.00 0.00 O ATOM 303 CB PRO A 161 -16.871 13.819 4.411 1.00 0.00 C ATOM 304 CG PRO A 161 -15.925 14.207 5.495 1.00 0.00 C ATOM 305 CD PRO A 161 -15.400 12.920 6.080 1.00 0.00 C ATOM 0 HA PRO A 161 -17.036 11.855 3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -16.933 14.590 3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -17.879 13.672 4.798 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -15.111 14.816 5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -16.429 14.803 6.256 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -14.339 12.993 6.320 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -15.919 12.659 7.003 1.00 0.00 H new ATOM 313 N SER A 162 -14.040 12.501 2.925 1.00 0.00 N ATOM 314 CA SER A 162 -13.017 12.750 1.914 1.00 0.00 C ATOM 315 C SER A 162 -12.902 11.585 0.934 1.00 0.00 C ATOM 316 O SER A 162 -12.556 11.779 -0.232 1.00 0.00 O ATOM 317 CB SER A 162 -11.663 12.997 2.582 1.00 0.00 C ATOM 318 OG SER A 162 -11.461 12.109 3.667 1.00 0.00 O ATOM 0 H SER A 162 -13.692 12.073 3.783 1.00 0.00 H new ATOM 0 HA SER A 162 -13.315 13.637 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 162 -10.865 12.870 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 162 -11.611 14.027 2.936 1.00 0.00 H new ATOM 0 HG SER A 162 -11.919 11.262 3.486 1.00 0.00 H new ATOM 324 N GLY A 163 -13.186 10.378 1.409 1.00 0.00 N ATOM 325 CA GLY A 163 -13.099 9.210 0.554 1.00 0.00 C ATOM 326 C GLY A 163 -11.783 8.477 0.719 1.00 0.00 C ATOM 327 O GLY A 163 -11.213 8.449 1.810 1.00 0.00 O ATOM 0 H GLY A 163 -13.474 10.188 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -13.922 8.532 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -13.216 9.514 -0.486 1.00 0.00 H new ATOM 331 N TYR A 164 -11.296 7.890 -0.367 1.00 0.00 N ATOM 332 CA TYR A 164 -10.034 7.160 -0.342 1.00 0.00 C ATOM 333 C TYR A 164 -8.964 7.929 -1.109 1.00 0.00 C ATOM 334 O TYR A 164 -7.844 8.114 -0.629 1.00 0.00 O ATOM 335 CB TYR A 164 -10.213 5.765 -0.944 1.00 0.00 C ATOM 336 CG TYR A 164 -11.512 5.095 -0.551 1.00 0.00 C ATOM 337 CD1 TYR A 164 -11.842 4.909 0.785 1.00 0.00 C ATOM 338 CD2 TYR A 164 -12.406 4.650 -1.517 1.00 0.00 C ATOM 339 CE1 TYR A 164 -13.028 4.299 1.149 1.00 0.00 C ATOM 340 CE2 TYR A 164 -13.594 4.040 -1.161 1.00 0.00 C ATOM 341 CZ TYR A 164 -13.900 3.867 0.173 1.00 0.00 C ATOM 342 OH TYR A 164 -15.081 3.259 0.531 1.00 0.00 O ATOM 0 H TYR A 164 -11.756 7.905 -1.277 1.00 0.00 H new ATOM 0 HA TYR A 164 -9.715 7.054 0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -10.167 5.839 -2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -9.380 5.135 -0.632 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -11.161 5.246 1.552 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -12.169 4.783 -2.562 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -13.270 4.162 2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -14.279 3.700 -1.923 1.00 0.00 H new ATOM 0 HH TYR A 164 -15.581 3.016 -0.276 1.00 0.00 H new ATOM 352 N GLY A 165 -9.331 8.392 -2.299 1.00 0.00 N ATOM 353 CA GLY A 165 -8.413 9.157 -3.121 1.00 0.00 C ATOM 354 C GLY A 165 -7.281 8.332 -3.706 1.00 0.00 C ATOM 355 O GLY A 165 -6.202 8.862 -3.961 1.00 0.00 O ATOM 0 H GLY A 165 -10.253 8.250 -2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -8.970 9.622 -3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -7.990 9.964 -2.523 1.00 0.00 H new ATOM 359 N PHE A 166 -7.511 7.041 -3.928 1.00 0.00 N ATOM 360 CA PHE A 166 -6.473 6.185 -4.495 1.00 0.00 C ATOM 361 C PHE A 166 -7.037 5.185 -5.500 1.00 0.00 C ATOM 362 O PHE A 166 -8.250 5.094 -5.693 1.00 0.00 O ATOM 363 CB PHE A 166 -5.708 5.449 -3.388 1.00 0.00 C ATOM 364 CG PHE A 166 -6.555 4.627 -2.443 1.00 0.00 C ATOM 365 CD1 PHE A 166 -7.747 4.039 -2.850 1.00 0.00 C ATOM 366 CD2 PHE A 166 -6.139 4.431 -1.135 1.00 0.00 C ATOM 367 CE1 PHE A 166 -8.500 3.282 -1.973 1.00 0.00 C ATOM 368 CE2 PHE A 166 -6.889 3.673 -0.256 1.00 0.00 C ATOM 369 CZ PHE A 166 -8.070 3.098 -0.675 1.00 0.00 C ATOM 0 H PHE A 166 -8.393 6.570 -3.728 1.00 0.00 H new ATOM 0 HA PHE A 166 -5.783 6.836 -5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -4.974 4.792 -3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -5.153 6.184 -2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -8.089 4.176 -3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -5.215 4.877 -0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -9.425 2.834 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -6.550 3.531 0.760 1.00 0.00 H new ATOM 0 HZ PHE A 166 -8.657 2.505 0.011 1.00 0.00 H new ATOM 379 N ASN A 167 -6.140 4.429 -6.127 1.00 0.00 N ATOM 380 CA ASN A 167 -6.525 3.417 -7.104 1.00 0.00 C ATOM 381 C ASN A 167 -5.735 2.135 -6.854 1.00 0.00 C ATOM 382 O ASN A 167 -4.657 2.171 -6.261 1.00 0.00 O ATOM 383 CB ASN A 167 -6.279 3.920 -8.531 1.00 0.00 C ATOM 384 CG ASN A 167 -7.129 5.121 -8.917 1.00 0.00 C ATOM 385 OD1 ASN A 167 -6.800 5.847 -9.854 1.00 0.00 O ATOM 386 ND2 ASN A 167 -8.227 5.336 -8.207 1.00 0.00 N ATOM 0 H ASN A 167 -5.134 4.500 -5.974 1.00 0.00 H new ATOM 0 HA ASN A 167 -7.590 3.211 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -5.227 4.183 -8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -6.476 3.108 -9.231 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -8.832 6.126 -8.431 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -8.467 4.712 -7.437 1.00 0.00 H new ATOM 393 N LEU A 168 -6.275 1.002 -7.292 1.00 0.00 N ATOM 394 CA LEU A 168 -5.606 -0.279 -7.087 1.00 0.00 C ATOM 395 C LEU A 168 -5.584 -1.121 -8.362 1.00 0.00 C ATOM 396 O LEU A 168 -6.544 -1.132 -9.132 1.00 0.00 O ATOM 397 CB LEU A 168 -6.298 -1.057 -5.966 1.00 0.00 C ATOM 398 CG LEU A 168 -6.306 -0.363 -4.601 1.00 0.00 C ATOM 399 CD1 LEU A 168 -4.897 0.055 -4.204 1.00 0.00 C ATOM 400 CD2 LEU A 168 -7.239 0.841 -4.619 1.00 0.00 C ATOM 0 H LEU A 168 -7.165 0.944 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 168 -4.573 -0.069 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -7.329 -1.252 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -5.808 -2.025 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 168 -6.674 -1.071 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -4.924 0.546 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -4.258 -0.826 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -4.499 0.745 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -7.232 1.322 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -6.902 1.551 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -8.251 0.513 -4.855 1.00 0.00 H new ATOM 412 N HIS A 169 -4.479 -1.835 -8.564 1.00 0.00 N ATOM 413 CA HIS A 169 -4.314 -2.698 -9.728 1.00 0.00 C ATOM 414 C HIS A 169 -3.601 -3.990 -9.333 1.00 0.00 C ATOM 415 O HIS A 169 -2.631 -3.964 -8.574 1.00 0.00 O ATOM 416 CB HIS A 169 -3.524 -1.976 -10.825 1.00 0.00 C ATOM 417 CG HIS A 169 -2.078 -1.762 -10.487 1.00 0.00 C ATOM 418 ND1 HIS A 169 -1.495 -1.170 -9.418 1.00 0.00 N flip ATOM 419 CD2 HIS A 169 -1.046 -2.184 -11.299 1.00 0.00 C flip ATOM 420 CE1 HIS A 169 -0.136 -1.245 -9.602 1.00 0.00 C flip ATOM 421 NE2 HIS A 169 0.108 -1.862 -10.743 1.00 0.00 N flip ATOM 0 H HIS A 169 -3.680 -1.831 -7.930 1.00 0.00 H new ATOM 0 HA HIS A 169 -5.302 -2.945 -10.116 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -3.591 -2.553 -11.748 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -3.989 -1.010 -11.019 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -1.163 -2.697 -12.242 1.00 0.00 H new ATOM 0 HE1 HIS A 169 0.611 -0.861 -8.923 1.00 0.00 H new ATOM 0 HE2 HIS A 169 1.031 -2.057 -11.130 1.00 0.00 H new ATOM 430 N SER A 170 -4.086 -5.118 -9.844 1.00 0.00 N ATOM 431 CA SER A 170 -3.487 -6.412 -9.530 1.00 0.00 C ATOM 432 C SER A 170 -3.373 -7.286 -10.775 1.00 0.00 C ATOM 433 O SER A 170 -4.011 -7.021 -11.794 1.00 0.00 O ATOM 434 CB SER A 170 -4.313 -7.132 -8.463 1.00 0.00 C ATOM 435 OG SER A 170 -3.620 -8.261 -7.957 1.00 0.00 O ATOM 0 H SER A 170 -4.887 -5.163 -10.474 1.00 0.00 H new ATOM 0 HA SER A 170 -2.483 -6.231 -9.147 1.00 0.00 H new ATOM 0 HB2 SER A 170 -4.539 -6.444 -7.648 1.00 0.00 H new ATOM 0 HB3 SER A 170 -5.266 -7.447 -8.888 1.00 0.00 H new ATOM 0 HG SER A 170 -4.168 -8.703 -7.275 1.00 0.00 H new ATOM 441 N ASP A 171 -2.557 -8.332 -10.681 1.00 0.00 N ATOM 442 CA ASP A 171 -2.356 -9.252 -11.794 1.00 0.00 C ATOM 443 C ASP A 171 -2.527 -10.699 -11.335 1.00 0.00 C ATOM 444 O ASP A 171 -3.572 -11.311 -11.558 1.00 0.00 O ATOM 445 CB ASP A 171 -0.967 -9.048 -12.406 1.00 0.00 C ATOM 446 CG ASP A 171 -0.680 -10.015 -13.539 1.00 0.00 C ATOM 447 OD1 ASP A 171 -1.495 -10.084 -14.483 1.00 0.00 O ATOM 448 OD2 ASP A 171 0.361 -10.704 -13.483 1.00 0.00 O ATOM 0 H ASP A 171 -2.023 -8.563 -9.843 1.00 0.00 H new ATOM 0 HA ASP A 171 -3.108 -9.043 -12.554 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -0.884 -8.026 -12.776 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -0.211 -9.169 -11.630 1.00 0.00 H new ATOM 453 N LYS A 172 -1.498 -11.240 -10.690 1.00 0.00 N ATOM 454 CA LYS A 172 -1.540 -12.613 -10.197 1.00 0.00 C ATOM 455 C LYS A 172 -2.087 -12.660 -8.773 1.00 0.00 C ATOM 456 O LYS A 172 -2.335 -11.622 -8.160 1.00 0.00 O ATOM 457 CB LYS A 172 -0.145 -13.239 -10.242 1.00 0.00 C ATOM 458 CG LYS A 172 0.366 -13.498 -11.652 1.00 0.00 C ATOM 459 CD LYS A 172 -0.625 -14.313 -12.471 1.00 0.00 C ATOM 460 CE LYS A 172 -0.968 -15.630 -11.789 1.00 0.00 C ATOM 461 NZ LYS A 172 0.195 -16.560 -11.758 1.00 0.00 N ATOM 0 H LYS A 172 -0.625 -10.749 -10.496 1.00 0.00 H new ATOM 0 HA LYS A 172 -2.205 -13.185 -10.844 1.00 0.00 H new ATOM 0 HB2 LYS A 172 0.555 -12.581 -9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -0.161 -14.180 -9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 172 0.555 -12.547 -12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 172 1.318 -14.026 -11.602 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -1.536 -13.733 -12.623 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -0.206 -14.512 -13.457 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -1.304 -15.435 -10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -1.798 -16.104 -12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -0.085 -17.451 -11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 0.511 -16.754 -12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 0.973 -16.125 -11.222 1.00 0.00 H new ATOM 475 N SER A 173 -2.269 -13.869 -8.251 1.00 0.00 N ATOM 476 CA SER A 173 -2.785 -14.045 -6.898 1.00 0.00 C ATOM 477 C SER A 173 -1.699 -14.558 -5.955 1.00 0.00 C ATOM 478 O SER A 173 -1.995 -15.104 -4.892 1.00 0.00 O ATOM 479 CB SER A 173 -3.971 -15.011 -6.902 1.00 0.00 C ATOM 480 OG SER A 173 -5.047 -14.494 -7.666 1.00 0.00 O ATOM 0 H SER A 173 -2.067 -14.739 -8.743 1.00 0.00 H new ATOM 0 HA SER A 173 -3.118 -13.071 -6.539 1.00 0.00 H new ATOM 0 HB2 SER A 173 -3.660 -15.972 -7.311 1.00 0.00 H new ATOM 0 HB3 SER A 173 -4.301 -15.191 -5.879 1.00 0.00 H new ATOM 0 HG SER A 173 -5.792 -15.131 -7.654 1.00 0.00 H new ATOM 486 N LYS A 174 -0.443 -14.380 -6.350 1.00 0.00 N ATOM 487 CA LYS A 174 0.684 -14.827 -5.536 1.00 0.00 C ATOM 488 C LYS A 174 1.470 -13.646 -4.957 1.00 0.00 C ATOM 489 O LYS A 174 1.718 -13.599 -3.752 1.00 0.00 O ATOM 490 CB LYS A 174 1.612 -15.736 -6.348 1.00 0.00 C ATOM 491 CG LYS A 174 1.007 -17.095 -6.662 1.00 0.00 C ATOM 492 CD LYS A 174 2.078 -18.105 -7.042 1.00 0.00 C ATOM 493 CE LYS A 174 2.187 -18.264 -8.551 1.00 0.00 C ATOM 494 NZ LYS A 174 3.519 -17.834 -9.058 1.00 0.00 N ATOM 0 H LYS A 174 -0.179 -13.930 -7.227 1.00 0.00 H new ATOM 0 HA LYS A 174 0.276 -15.396 -4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 174 1.870 -15.237 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 174 2.541 -15.879 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 174 0.454 -17.458 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 174 0.292 -16.997 -7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 174 3.039 -17.786 -6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 174 1.847 -19.069 -6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 174 2.015 -19.306 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 174 1.407 -17.677 -9.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 3.554 -17.957 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 3.673 -16.832 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 4.262 -18.411 -8.615 1.00 0.00 H new ATOM 508 N PRO A 175 1.880 -12.673 -5.796 1.00 0.00 N ATOM 509 CA PRO A 175 2.639 -11.505 -5.330 1.00 0.00 C ATOM 510 C PRO A 175 1.856 -10.674 -4.319 1.00 0.00 C ATOM 511 O PRO A 175 2.253 -10.551 -3.160 1.00 0.00 O ATOM 512 CB PRO A 175 2.888 -10.693 -6.608 1.00 0.00 C ATOM 513 CG PRO A 175 2.692 -11.659 -7.724 1.00 0.00 C ATOM 514 CD PRO A 175 1.644 -12.622 -7.248 1.00 0.00 C ATOM 0 HA PRO A 175 3.554 -11.799 -4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 175 2.194 -9.856 -6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 175 3.895 -10.275 -6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 175 2.371 -11.148 -8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 175 3.621 -12.177 -7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 175 0.638 -12.273 -7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 175 1.756 -13.603 -7.710 1.00 0.00 H new ATOM 522 N GLY A 176 0.741 -10.105 -4.767 1.00 0.00 N ATOM 523 CA GLY A 176 -0.082 -9.292 -3.891 1.00 0.00 C ATOM 524 C GLY A 176 -0.713 -8.117 -4.612 1.00 0.00 C ATOM 525 O GLY A 176 -0.560 -7.970 -5.825 1.00 0.00 O ATOM 0 H GLY A 176 0.393 -10.193 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 176 -0.867 -9.912 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 176 0.526 -8.923 -3.065 1.00 0.00 H new ATOM 529 N GLN A 177 -1.424 -7.278 -3.866 1.00 0.00 N ATOM 530 CA GLN A 177 -2.080 -6.110 -4.444 1.00 0.00 C ATOM 531 C GLN A 177 -1.149 -4.904 -4.434 1.00 0.00 C ATOM 532 O GLN A 177 -0.416 -4.680 -3.471 1.00 0.00 O ATOM 533 CB GLN A 177 -3.360 -5.782 -3.675 1.00 0.00 C ATOM 534 CG GLN A 177 -4.129 -4.605 -4.252 1.00 0.00 C ATOM 535 CD GLN A 177 -4.798 -4.937 -5.571 1.00 0.00 C ATOM 536 OE1 GLN A 177 -4.584 -4.260 -6.576 1.00 0.00 O ATOM 537 NE2 GLN A 177 -5.612 -5.985 -5.573 1.00 0.00 N ATOM 0 H GLN A 177 -1.561 -7.385 -2.861 1.00 0.00 H new ATOM 0 HA GLN A 177 -2.335 -6.345 -5.477 1.00 0.00 H new ATOM 0 HB2 GLN A 177 -4.006 -6.660 -3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 177 -3.106 -5.566 -2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 177 -4.885 -4.284 -3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 177 -3.448 -3.766 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 177 -5.760 -6.518 -4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 177 -6.090 -6.258 -6.432 1.00 0.00 H new ATOM 546 N PHE A 178 -1.187 -4.127 -5.511 1.00 0.00 N ATOM 547 CA PHE A 178 -0.348 -2.940 -5.627 1.00 0.00 C ATOM 548 C PHE A 178 -1.189 -1.720 -5.981 1.00 0.00 C ATOM 549 O PHE A 178 -2.192 -1.830 -6.685 1.00 0.00 O ATOM 550 CB PHE A 178 0.729 -3.148 -6.696 1.00 0.00 C ATOM 551 CG PHE A 178 1.332 -4.524 -6.691 1.00 0.00 C ATOM 552 CD1 PHE A 178 1.679 -5.138 -5.500 1.00 0.00 C ATOM 553 CD2 PHE A 178 1.553 -5.202 -7.880 1.00 0.00 C ATOM 554 CE1 PHE A 178 2.235 -6.403 -5.492 1.00 0.00 C ATOM 555 CE2 PHE A 178 2.109 -6.467 -7.879 1.00 0.00 C ATOM 556 CZ PHE A 178 2.450 -7.068 -6.683 1.00 0.00 C ATOM 0 H PHE A 178 -1.790 -4.298 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 178 0.133 -2.771 -4.663 1.00 0.00 H new ATOM 0 HB2 PHE A 178 0.295 -2.955 -7.677 1.00 0.00 H new ATOM 0 HB3 PHE A 178 1.521 -2.414 -6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 178 1.513 -4.622 -4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 178 1.288 -4.736 -8.818 1.00 0.00 H new ATOM 0 HE1 PHE A 178 2.501 -6.871 -4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 178 2.277 -6.985 -8.812 1.00 0.00 H new ATOM 0 HZ PHE A 178 2.884 -8.057 -6.679 1.00 0.00 H new ATOM 566 N ILE A 179 -0.770 -0.555 -5.499 1.00 0.00 N ATOM 567 CA ILE A 179 -1.484 0.684 -5.782 1.00 0.00 C ATOM 568 C ILE A 179 -1.149 1.176 -7.185 1.00 0.00 C ATOM 569 O ILE A 179 0.012 1.165 -7.593 1.00 0.00 O ATOM 570 CB ILE A 179 -1.143 1.780 -4.752 1.00 0.00 C ATOM 571 CG1 ILE A 179 -1.491 1.301 -3.342 1.00 0.00 C ATOM 572 CG2 ILE A 179 -1.883 3.071 -5.076 1.00 0.00 C ATOM 573 CD1 ILE A 179 -1.132 2.295 -2.260 1.00 0.00 C ATOM 0 H ILE A 179 0.057 -0.443 -4.913 1.00 0.00 H new ATOM 0 HA ILE A 179 -2.551 0.474 -5.715 1.00 0.00 H new ATOM 0 HB ILE A 179 -0.073 1.982 -4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -2.560 1.092 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -0.973 0.362 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -1.629 3.831 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -1.593 3.417 -6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -2.958 2.890 -5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -1.407 1.889 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -0.059 2.486 -2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -1.671 3.227 -2.429 1.00 0.00 H new ATOM 585 N ARG A 180 -2.170 1.587 -7.928 1.00 0.00 N ATOM 586 CA ARG A 180 -1.969 2.056 -9.293 1.00 0.00 C ATOM 587 C ARG A 180 -1.921 3.581 -9.372 1.00 0.00 C ATOM 588 O ARG A 180 -1.183 4.137 -10.187 1.00 0.00 O ATOM 589 CB ARG A 180 -3.066 1.503 -10.210 1.00 0.00 C ATOM 590 CG ARG A 180 -4.396 2.229 -10.100 1.00 0.00 C ATOM 591 CD ARG A 180 -5.354 1.807 -11.202 1.00 0.00 C ATOM 592 NE ARG A 180 -5.032 2.440 -12.479 1.00 0.00 N ATOM 593 CZ ARG A 180 -5.853 2.457 -13.526 1.00 0.00 C ATOM 594 NH1 ARG A 180 -7.044 1.874 -13.454 1.00 0.00 N ATOM 595 NH2 ARG A 180 -5.483 3.057 -14.648 1.00 0.00 N ATOM 0 H ARG A 180 -3.139 1.605 -7.611 1.00 0.00 H new ATOM 0 HA ARG A 180 -1.001 1.685 -9.631 1.00 0.00 H new ATOM 0 HB2 ARG A 180 -2.721 1.555 -11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 180 -3.220 0.449 -9.978 1.00 0.00 H new ATOM 0 HG2 ARG A 180 -4.845 2.023 -9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 180 -4.230 3.305 -10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 180 -5.321 0.723 -11.316 1.00 0.00 H new ATOM 0 HD3 ARG A 180 -6.373 2.066 -10.915 1.00 0.00 H new ATOM 0 HE ARG A 180 -4.124 2.896 -12.573 1.00 0.00 H new ATOM 0 HH11 ARG A 180 -7.334 1.410 -12.593 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -7.669 1.890 -14.260 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -4.569 3.506 -14.709 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -6.112 3.070 -15.451 1.00 0.00 H new ATOM 609 N SER A 181 -2.706 4.261 -8.539 1.00 0.00 N ATOM 610 CA SER A 181 -2.723 5.721 -8.560 1.00 0.00 C ATOM 611 C SER A 181 -3.078 6.310 -7.198 1.00 0.00 C ATOM 612 O SER A 181 -3.717 5.660 -6.371 1.00 0.00 O ATOM 613 CB SER A 181 -3.713 6.223 -9.611 1.00 0.00 C ATOM 614 OG SER A 181 -3.434 7.563 -9.977 1.00 0.00 O ATOM 0 H SER A 181 -3.328 3.834 -7.853 1.00 0.00 H new ATOM 0 HA SER A 181 -1.716 6.052 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 181 -3.666 5.585 -10.493 1.00 0.00 H new ATOM 0 HB3 SER A 181 -4.728 6.153 -9.221 1.00 0.00 H new ATOM 0 HG SER A 181 -4.080 7.859 -10.651 1.00 0.00 H new ATOM 620 N VAL A 182 -2.662 7.556 -6.986 1.00 0.00 N ATOM 621 CA VAL A 182 -2.930 8.263 -5.740 1.00 0.00 C ATOM 622 C VAL A 182 -3.456 9.667 -6.024 1.00 0.00 C ATOM 623 O VAL A 182 -2.994 10.335 -6.949 1.00 0.00 O ATOM 624 CB VAL A 182 -1.665 8.366 -4.868 1.00 0.00 C ATOM 625 CG1 VAL A 182 -2.000 8.946 -3.502 1.00 0.00 C ATOM 626 CG2 VAL A 182 -1.001 7.005 -4.731 1.00 0.00 C ATOM 0 H VAL A 182 -2.134 8.099 -7.669 1.00 0.00 H new ATOM 0 HA VAL A 182 -3.683 7.691 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.962 9.040 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -1.093 9.010 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -2.426 9.942 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.722 8.302 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.109 7.096 -4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -1.696 6.306 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 182 -0.722 6.635 -5.718 1.00 0.00 H new ATOM 636 N ASP A 183 -4.429 10.107 -5.233 1.00 0.00 N ATOM 637 CA ASP A 183 -5.019 11.428 -5.411 1.00 0.00 C ATOM 638 C ASP A 183 -4.354 12.458 -4.498 1.00 0.00 C ATOM 639 O ASP A 183 -4.424 12.347 -3.274 1.00 0.00 O ATOM 640 CB ASP A 183 -6.521 11.374 -5.127 1.00 0.00 C ATOM 641 CG ASP A 183 -7.248 12.607 -5.627 1.00 0.00 C ATOM 642 OD1 ASP A 183 -6.694 13.312 -6.497 1.00 0.00 O ATOM 643 OD2 ASP A 183 -8.372 12.868 -5.149 1.00 0.00 O ATOM 0 H ASP A 183 -4.825 9.568 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 183 -4.857 11.734 -6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 183 -6.946 10.488 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 183 -6.682 11.271 -4.054 1.00 0.00 H new ATOM 648 N PRO A 184 -3.699 13.481 -5.079 1.00 0.00 N ATOM 649 CA PRO A 184 -3.027 14.529 -4.303 1.00 0.00 C ATOM 650 C PRO A 184 -3.989 15.267 -3.378 1.00 0.00 C ATOM 651 O PRO A 184 -5.130 15.545 -3.747 1.00 0.00 O ATOM 652 CB PRO A 184 -2.480 15.484 -5.370 1.00 0.00 C ATOM 653 CG PRO A 184 -2.426 14.677 -6.621 1.00 0.00 C ATOM 654 CD PRO A 184 -3.562 13.700 -6.530 1.00 0.00 C ATOM 0 HA PRO A 184 -2.257 14.116 -3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 184 -3.126 16.354 -5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 184 -1.492 15.856 -5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 184 -2.527 15.313 -7.501 1.00 0.00 H new ATOM 0 HG3 PRO A 184 -1.471 14.159 -6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 184 -4.476 14.103 -6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 184 -3.340 12.773 -7.058 1.00 0.00 H new ATOM 662 N ASP A 185 -3.520 15.583 -2.175 1.00 0.00 N ATOM 663 CA ASP A 185 -4.335 16.292 -1.193 1.00 0.00 C ATOM 664 C ASP A 185 -5.515 15.442 -0.726 1.00 0.00 C ATOM 665 O ASP A 185 -6.453 15.953 -0.113 1.00 0.00 O ATOM 666 CB ASP A 185 -4.845 17.611 -1.779 1.00 0.00 C ATOM 667 CG ASP A 185 -5.282 18.589 -0.706 1.00 0.00 C ATOM 668 OD1 ASP A 185 -6.410 18.440 -0.190 1.00 0.00 O ATOM 669 OD2 ASP A 185 -4.496 19.505 -0.381 1.00 0.00 O ATOM 0 H ASP A 185 -2.578 15.359 -1.856 1.00 0.00 H new ATOM 0 HA ASP A 185 -3.704 16.500 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -4.059 18.065 -2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -5.683 17.409 -2.446 1.00 0.00 H new ATOM 674 N SER A 186 -5.465 14.143 -1.011 1.00 0.00 N ATOM 675 CA SER A 186 -6.530 13.234 -0.610 1.00 0.00 C ATOM 676 C SER A 186 -6.085 12.381 0.576 1.00 0.00 C ATOM 677 O SER A 186 -4.898 12.337 0.902 1.00 0.00 O ATOM 678 CB SER A 186 -6.928 12.344 -1.787 1.00 0.00 C ATOM 679 OG SER A 186 -7.130 13.117 -2.957 1.00 0.00 O ATOM 0 H SER A 186 -4.699 13.699 -1.517 1.00 0.00 H new ATOM 0 HA SER A 186 -7.396 13.821 -0.305 1.00 0.00 H new ATOM 0 HB2 SER A 186 -6.151 11.601 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 186 -7.840 11.799 -1.544 1.00 0.00 H new ATOM 0 HG SER A 186 -7.967 12.845 -3.388 1.00 0.00 H new ATOM 685 N PRO A 187 -7.028 11.693 1.248 1.00 0.00 N ATOM 686 CA PRO A 187 -6.712 10.851 2.404 1.00 0.00 C ATOM 687 C PRO A 187 -5.471 9.994 2.178 1.00 0.00 C ATOM 688 O PRO A 187 -4.646 9.833 3.078 1.00 0.00 O ATOM 689 CB PRO A 187 -7.957 9.980 2.544 1.00 0.00 C ATOM 690 CG PRO A 187 -9.065 10.839 2.040 1.00 0.00 C ATOM 691 CD PRO A 187 -8.473 11.685 0.941 1.00 0.00 C ATOM 0 HA PRO A 187 -6.483 11.438 3.294 1.00 0.00 H new ATOM 0 HB2 PRO A 187 -7.868 9.063 1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 187 -8.122 9.685 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 187 -9.888 10.232 1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 187 -9.468 11.463 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 187 -8.671 11.260 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 187 -8.889 12.693 0.943 1.00 0.00 H new ATOM 699 N ALA A 188 -5.336 9.457 0.970 1.00 0.00 N ATOM 700 CA ALA A 188 -4.184 8.631 0.632 1.00 0.00 C ATOM 701 C ALA A 188 -2.889 9.420 0.795 1.00 0.00 C ATOM 702 O ALA A 188 -1.913 8.926 1.359 1.00 0.00 O ATOM 703 CB ALA A 188 -4.311 8.105 -0.790 1.00 0.00 C ATOM 0 H ALA A 188 -6.007 9.579 0.212 1.00 0.00 H new ATOM 0 HA ALA A 188 -4.155 7.783 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 188 -3.444 7.490 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 188 -5.217 7.505 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 188 -4.364 8.943 -1.485 1.00 0.00 H new ATOM 709 N GLU A 189 -2.891 10.653 0.298 1.00 0.00 N ATOM 710 CA GLU A 189 -1.722 11.520 0.385 1.00 0.00 C ATOM 711 C GLU A 189 -1.477 11.971 1.821 1.00 0.00 C ATOM 712 O GLU A 189 -0.384 11.796 2.360 1.00 0.00 O ATOM 713 CB GLU A 189 -1.903 12.742 -0.516 1.00 0.00 C ATOM 714 CG GLU A 189 -0.598 13.438 -0.867 1.00 0.00 C ATOM 715 CD GLU A 189 0.199 12.688 -1.916 1.00 0.00 C ATOM 716 OE1 GLU A 189 0.076 11.447 -1.979 1.00 0.00 O ATOM 717 OE2 GLU A 189 0.945 13.342 -2.675 1.00 0.00 O ATOM 0 H GLU A 189 -3.693 11.075 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 189 -0.856 10.949 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -2.400 12.434 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -2.563 13.454 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -0.813 14.443 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 189 0.006 13.546 0.034 1.00 0.00 H new ATOM 724 N ALA A 190 -2.501 12.558 2.432 1.00 0.00 N ATOM 725 CA ALA A 190 -2.400 13.045 3.805 1.00 0.00 C ATOM 726 C ALA A 190 -1.895 11.958 4.749 1.00 0.00 C ATOM 727 O ALA A 190 -1.293 12.251 5.783 1.00 0.00 O ATOM 728 CB ALA A 190 -3.747 13.572 4.277 1.00 0.00 C ATOM 0 H ALA A 190 -3.412 12.709 1.998 1.00 0.00 H new ATOM 0 HA ALA A 190 -1.675 13.859 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -3.658 13.932 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.064 14.391 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -4.485 12.771 4.237 1.00 0.00 H new ATOM 734 N SER A 191 -2.143 10.704 4.389 1.00 0.00 N ATOM 735 CA SER A 191 -1.716 9.575 5.201 1.00 0.00 C ATOM 736 C SER A 191 -0.274 9.186 4.882 1.00 0.00 C ATOM 737 O SER A 191 0.418 8.596 5.712 1.00 0.00 O ATOM 738 CB SER A 191 -2.645 8.386 4.959 1.00 0.00 C ATOM 739 OG SER A 191 -2.034 7.171 5.344 1.00 0.00 O ATOM 0 H SER A 191 -2.640 10.445 3.537 1.00 0.00 H new ATOM 0 HA SER A 191 -1.764 9.866 6.250 1.00 0.00 H new ATOM 0 HB2 SER A 191 -3.570 8.524 5.519 1.00 0.00 H new ATOM 0 HB3 SER A 191 -2.915 8.342 3.904 1.00 0.00 H new ATOM 0 HG SER A 191 -1.683 6.716 4.550 1.00 0.00 H new ATOM 745 N GLY A 192 0.172 9.516 3.674 1.00 0.00 N ATOM 746 CA GLY A 192 1.525 9.187 3.267 1.00 0.00 C ATOM 747 C GLY A 192 1.562 8.024 2.296 1.00 0.00 C ATOM 748 O GLY A 192 2.558 7.306 2.211 1.00 0.00 O ATOM 0 H GLY A 192 -0.380 10.006 2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 192 1.986 10.060 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 192 2.119 8.942 4.148 1.00 0.00 H new ATOM 752 N LEU A 193 0.468 7.837 1.564 1.00 0.00 N ATOM 753 CA LEU A 193 0.368 6.753 0.596 1.00 0.00 C ATOM 754 C LEU A 193 1.085 7.111 -0.702 1.00 0.00 C ATOM 755 O LEU A 193 1.155 8.280 -1.082 1.00 0.00 O ATOM 756 CB LEU A 193 -1.103 6.438 0.315 1.00 0.00 C ATOM 757 CG LEU A 193 -1.353 5.253 -0.622 1.00 0.00 C ATOM 758 CD1 LEU A 193 -2.768 4.724 -0.439 1.00 0.00 C ATOM 759 CD2 LEU A 193 -1.116 5.658 -2.071 1.00 0.00 C ATOM 0 H LEU A 193 -0.363 8.425 1.624 1.00 0.00 H new ATOM 0 HA LEU A 193 0.850 5.871 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -1.603 6.241 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -1.571 7.324 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 193 -0.651 4.458 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -2.931 3.882 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -2.904 4.397 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -3.484 5.514 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -1.298 4.803 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -1.794 6.469 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -0.086 5.992 -2.191 1.00 0.00 H new ATOM 771 N ARG A 194 1.613 6.097 -1.379 1.00 0.00 N ATOM 772 CA ARG A 194 2.321 6.303 -2.636 1.00 0.00 C ATOM 773 C ARG A 194 1.993 5.192 -3.628 1.00 0.00 C ATOM 774 O ARG A 194 2.070 4.009 -3.298 1.00 0.00 O ATOM 775 CB ARG A 194 3.830 6.363 -2.394 1.00 0.00 C ATOM 776 CG ARG A 194 4.307 7.708 -1.870 1.00 0.00 C ATOM 777 CD ARG A 194 5.783 7.675 -1.510 1.00 0.00 C ATOM 778 NE ARG A 194 6.129 8.701 -0.530 1.00 0.00 N ATOM 779 CZ ARG A 194 6.162 10.004 -0.801 1.00 0.00 C ATOM 780 NH1 ARG A 194 5.873 10.443 -2.020 1.00 0.00 N ATOM 781 NH2 ARG A 194 6.484 10.870 0.150 1.00 0.00 N ATOM 0 H ARG A 194 1.564 5.124 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 194 1.994 7.253 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 194 4.107 5.586 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 194 4.349 6.141 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 194 4.133 8.476 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 194 3.724 7.985 -0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 194 6.037 6.693 -1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 194 6.379 7.818 -2.411 1.00 0.00 H new ATOM 0 HE ARG A 194 6.359 8.402 0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 194 5.624 9.781 -2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 194 5.900 11.442 -2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 194 6.706 10.538 1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 194 6.510 11.868 -0.057 1.00 0.00 H new ATOM 795 N ALA A 195 1.622 5.582 -4.843 1.00 0.00 N ATOM 796 CA ALA A 195 1.276 4.619 -5.881 1.00 0.00 C ATOM 797 C ALA A 195 2.434 3.669 -6.164 1.00 0.00 C ATOM 798 O ALA A 195 3.600 4.029 -6.004 1.00 0.00 O ATOM 799 CB ALA A 195 0.863 5.345 -7.155 1.00 0.00 C ATOM 0 H ALA A 195 1.553 6.558 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 195 0.436 4.024 -5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.607 4.615 -7.923 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.002 5.975 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 195 1.689 5.965 -7.504 1.00 0.00 H new ATOM 805 N GLN A 196 2.098 2.454 -6.594 1.00 0.00 N ATOM 806 CA GLN A 196 3.095 1.432 -6.918 1.00 0.00 C ATOM 807 C GLN A 196 3.673 0.772 -5.665 1.00 0.00 C ATOM 808 O GLN A 196 4.479 -0.152 -5.768 1.00 0.00 O ATOM 809 CB GLN A 196 4.228 2.028 -7.760 1.00 0.00 C ATOM 810 CG GLN A 196 3.740 2.828 -8.956 1.00 0.00 C ATOM 811 CD GLN A 196 4.875 3.300 -9.843 1.00 0.00 C ATOM 812 OE1 GLN A 196 5.470 2.515 -10.580 1.00 0.00 O ATOM 813 NE2 GLN A 196 5.181 4.591 -9.775 1.00 0.00 N ATOM 0 H GLN A 196 1.133 2.150 -6.727 1.00 0.00 H new ATOM 0 HA GLN A 196 2.583 0.662 -7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 196 4.840 2.672 -7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 196 4.872 1.221 -8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 196 3.055 2.216 -9.543 1.00 0.00 H new ATOM 0 HG3 GLN A 196 3.175 3.691 -8.605 1.00 0.00 H new ATOM 0 HE21 GLN A 196 4.661 5.206 -9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 196 5.936 4.967 -10.348 1.00 0.00 H new ATOM 822 N ASP A 197 3.264 1.233 -4.485 1.00 0.00 N ATOM 823 CA ASP A 197 3.761 0.655 -3.242 1.00 0.00 C ATOM 824 C ASP A 197 3.252 -0.774 -3.074 1.00 0.00 C ATOM 825 O ASP A 197 2.187 -1.126 -3.583 1.00 0.00 O ATOM 826 CB ASP A 197 3.345 1.515 -2.045 1.00 0.00 C ATOM 827 CG ASP A 197 1.840 1.629 -1.899 1.00 0.00 C ATOM 828 OD1 ASP A 197 1.121 0.781 -2.468 1.00 0.00 O ATOM 829 OD2 ASP A 197 1.380 2.567 -1.215 1.00 0.00 O ATOM 0 H ASP A 197 2.598 1.996 -4.365 1.00 0.00 H new ATOM 0 HA ASP A 197 4.850 0.630 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 197 3.763 1.087 -1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 197 3.772 2.512 -2.154 1.00 0.00 H new ATOM 834 N ARG A 198 4.020 -1.597 -2.368 1.00 0.00 N ATOM 835 CA ARG A 198 3.641 -2.990 -2.148 1.00 0.00 C ATOM 836 C ARG A 198 2.821 -3.145 -0.870 1.00 0.00 C ATOM 837 O ARG A 198 3.317 -2.902 0.228 1.00 0.00 O ATOM 838 CB ARG A 198 4.889 -3.872 -2.071 1.00 0.00 C ATOM 839 CG ARG A 198 5.570 -4.088 -3.412 1.00 0.00 C ATOM 840 CD ARG A 198 4.866 -5.161 -4.225 1.00 0.00 C ATOM 841 NE ARG A 198 5.400 -5.265 -5.581 1.00 0.00 N ATOM 842 CZ ARG A 198 5.047 -4.460 -6.581 1.00 0.00 C ATOM 843 NH1 ARG A 198 4.173 -3.482 -6.379 1.00 0.00 N ATOM 844 NH2 ARG A 198 5.572 -4.633 -7.786 1.00 0.00 N ATOM 0 H ARG A 198 4.905 -1.326 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 198 3.026 -3.306 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 198 5.601 -3.419 -1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 198 4.613 -4.840 -1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 198 5.579 -3.153 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 198 6.610 -4.374 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 198 4.969 -6.122 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 198 3.800 -4.938 -4.272 1.00 0.00 H new ATOM 0 HE ARG A 198 6.083 -5.997 -5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 198 3.767 -3.344 -5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 198 3.907 -2.869 -7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 198 6.245 -5.382 -7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 198 5.302 -4.017 -8.553 1.00 0.00 H new ATOM 858 N ILE A 199 1.565 -3.556 -1.024 1.00 0.00 N ATOM 859 CA ILE A 199 0.675 -3.749 0.116 1.00 0.00 C ATOM 860 C ILE A 199 1.163 -4.887 1.008 1.00 0.00 C ATOM 861 O ILE A 199 1.360 -6.011 0.547 1.00 0.00 O ATOM 862 CB ILE A 199 -0.767 -4.054 -0.341 1.00 0.00 C ATOM 863 CG1 ILE A 199 -1.252 -2.991 -1.331 1.00 0.00 C ATOM 864 CG2 ILE A 199 -1.700 -4.136 0.859 1.00 0.00 C ATOM 865 CD1 ILE A 199 -1.464 -1.629 -0.706 1.00 0.00 C ATOM 0 H ILE A 199 1.141 -3.762 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 199 0.680 -2.818 0.682 1.00 0.00 H new ATOM 0 HB ILE A 199 -0.773 -5.020 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 199 -0.526 -2.901 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 199 -2.188 -3.325 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 199 -2.713 -4.352 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 199 -1.365 -4.930 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 199 -1.691 -3.185 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 199 -1.807 -0.929 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 199 -2.213 -1.703 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 199 -0.525 -1.273 -0.282 1.00 0.00 H new ATOM 877 N VAL A 200 1.356 -4.585 2.287 1.00 0.00 N ATOM 878 CA VAL A 200 1.822 -5.579 3.249 1.00 0.00 C ATOM 879 C VAL A 200 0.717 -5.975 4.223 1.00 0.00 C ATOM 880 O VAL A 200 0.521 -7.158 4.505 1.00 0.00 O ATOM 881 CB VAL A 200 3.032 -5.061 4.050 1.00 0.00 C ATOM 882 CG1 VAL A 200 3.651 -6.183 4.870 1.00 0.00 C ATOM 883 CG2 VAL A 200 4.063 -4.439 3.120 1.00 0.00 C ATOM 0 H VAL A 200 1.197 -3.659 2.683 1.00 0.00 H new ATOM 0 HA VAL A 200 2.121 -6.454 2.672 1.00 0.00 H new ATOM 0 HB VAL A 200 2.685 -4.289 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 200 4.504 -5.798 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 200 2.910 -6.577 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 200 3.983 -6.980 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 200 4.910 -4.079 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 200 4.407 -5.187 2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 200 3.612 -3.605 2.583 1.00 0.00 H new ATOM 893 N GLU A 201 0.000 -4.983 4.741 1.00 0.00 N ATOM 894 CA GLU A 201 -1.077 -5.246 5.689 1.00 0.00 C ATOM 895 C GLU A 201 -2.238 -4.278 5.496 1.00 0.00 C ATOM 896 O GLU A 201 -2.156 -3.337 4.707 1.00 0.00 O ATOM 897 CB GLU A 201 -0.550 -5.156 7.124 1.00 0.00 C ATOM 898 CG GLU A 201 -0.365 -3.733 7.628 1.00 0.00 C ATOM 899 CD GLU A 201 0.585 -3.650 8.806 1.00 0.00 C ATOM 900 OE1 GLU A 201 1.697 -4.212 8.712 1.00 0.00 O ATOM 901 OE2 GLU A 201 0.218 -3.025 9.823 1.00 0.00 O ATOM 0 H GLU A 201 0.143 -3.997 4.523 1.00 0.00 H new ATOM 0 HA GLU A 201 -1.447 -6.254 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -1.240 -5.678 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 201 0.405 -5.678 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 201 0.013 -3.111 6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -1.334 -3.325 7.918 1.00 0.00 H new ATOM 908 N VAL A 202 -3.317 -4.519 6.231 1.00 0.00 N ATOM 909 CA VAL A 202 -4.503 -3.677 6.158 1.00 0.00 C ATOM 910 C VAL A 202 -5.310 -3.765 7.448 1.00 0.00 C ATOM 911 O VAL A 202 -5.887 -4.805 7.763 1.00 0.00 O ATOM 912 CB VAL A 202 -5.407 -4.071 4.976 1.00 0.00 C ATOM 913 CG1 VAL A 202 -6.554 -3.080 4.824 1.00 0.00 C ATOM 914 CG2 VAL A 202 -4.597 -4.164 3.690 1.00 0.00 C ATOM 0 H VAL A 202 -3.394 -5.296 6.888 1.00 0.00 H new ATOM 0 HA VAL A 202 -4.156 -2.654 6.010 1.00 0.00 H new ATOM 0 HB VAL A 202 -5.833 -5.053 5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 202 -7.181 -3.376 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 202 -7.150 -3.071 5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 202 -6.152 -2.083 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 202 -5.253 -4.444 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 202 -4.139 -3.198 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 202 -3.818 -4.917 3.805 1.00 0.00 H new ATOM 924 N ASN A 203 -5.348 -2.665 8.192 1.00 0.00 N ATOM 925 CA ASN A 203 -6.084 -2.613 9.450 1.00 0.00 C ATOM 926 C ASN A 203 -5.407 -3.457 10.526 1.00 0.00 C ATOM 927 O ASN A 203 -6.046 -3.871 11.494 1.00 0.00 O ATOM 928 CB ASN A 203 -7.527 -3.083 9.249 1.00 0.00 C ATOM 929 CG ASN A 203 -8.414 -2.753 10.434 1.00 0.00 C ATOM 930 OD1 ASN A 203 -8.556 -1.590 10.812 1.00 0.00 O ATOM 931 ND2 ASN A 203 -9.015 -3.778 11.026 1.00 0.00 N ATOM 0 H ASN A 203 -4.876 -1.795 7.945 1.00 0.00 H new ATOM 0 HA ASN A 203 -6.091 -1.576 9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 203 -7.936 -2.618 8.352 1.00 0.00 H new ATOM 0 HB3 ASN A 203 -7.535 -4.160 9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 203 -9.624 -3.618 11.829 1.00 0.00 H new ATOM 0 HD22 ASN A 203 -8.868 -4.726 10.678 1.00 0.00 H new ATOM 938 N GLY A 204 -4.109 -3.697 10.363 1.00 0.00 N ATOM 939 CA GLY A 204 -3.373 -4.475 11.343 1.00 0.00 C ATOM 940 C GLY A 204 -3.067 -5.891 10.889 1.00 0.00 C ATOM 941 O GLY A 204 -2.218 -6.561 11.478 1.00 0.00 O ATOM 0 H GLY A 204 -3.555 -3.368 9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -2.437 -3.965 11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -3.947 -4.515 12.268 1.00 0.00 H new ATOM 945 N VAL A 205 -3.753 -6.359 9.851 1.00 0.00 N ATOM 946 CA VAL A 205 -3.530 -7.713 9.350 1.00 0.00 C ATOM 947 C VAL A 205 -2.388 -7.755 8.337 1.00 0.00 C ATOM 948 O VAL A 205 -2.592 -7.531 7.144 1.00 0.00 O ATOM 949 CB VAL A 205 -4.801 -8.302 8.706 1.00 0.00 C ATOM 950 CG1 VAL A 205 -5.905 -8.450 9.742 1.00 0.00 C ATOM 951 CG2 VAL A 205 -5.266 -7.444 7.538 1.00 0.00 C ATOM 0 H VAL A 205 -4.461 -5.828 9.344 1.00 0.00 H new ATOM 0 HA VAL A 205 -3.261 -8.319 10.215 1.00 0.00 H new ATOM 0 HB VAL A 205 -4.560 -9.292 8.319 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -6.794 -8.867 9.269 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -5.571 -9.116 10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -6.142 -7.473 10.163 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -6.164 -7.881 7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -5.487 -6.437 7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -4.480 -7.399 6.784 1.00 0.00 H new ATOM 961 N CYS A 206 -1.183 -8.047 8.822 1.00 0.00 N ATOM 962 CA CYS A 206 -0.009 -8.124 7.959 1.00 0.00 C ATOM 963 C CYS A 206 0.205 -9.549 7.469 1.00 0.00 C ATOM 964 O CYS A 206 0.721 -10.398 8.195 1.00 0.00 O ATOM 965 CB CYS A 206 1.234 -7.629 8.701 1.00 0.00 C ATOM 966 SG CYS A 206 2.740 -7.631 7.700 1.00 0.00 S ATOM 0 H CYS A 206 -0.995 -8.234 9.807 1.00 0.00 H new ATOM 0 HA CYS A 206 -0.179 -7.482 7.094 1.00 0.00 H new ATOM 0 HB2 CYS A 206 1.051 -6.616 9.060 1.00 0.00 H new ATOM 0 HB3 CYS A 206 1.393 -8.255 9.579 1.00 0.00 H new ATOM 0 HG CYS A 206 3.736 -7.195 8.413 1.00 0.00 H new ATOM 972 N MET A 207 -0.204 -9.803 6.232 1.00 0.00 N ATOM 973 CA MET A 207 -0.064 -11.129 5.640 1.00 0.00 C ATOM 974 C MET A 207 0.573 -11.055 4.257 1.00 0.00 C ATOM 975 O MET A 207 -0.093 -10.727 3.274 1.00 0.00 O ATOM 976 CB MET A 207 -1.427 -11.818 5.554 1.00 0.00 C ATOM 977 CG MET A 207 -1.880 -12.433 6.869 1.00 0.00 C ATOM 978 SD MET A 207 -0.787 -13.753 7.431 1.00 0.00 S ATOM 979 CE MET A 207 -1.038 -13.669 9.202 1.00 0.00 C ATOM 0 H MET A 207 -0.635 -9.110 5.620 1.00 0.00 H new ATOM 0 HA MET A 207 0.593 -11.714 6.284 1.00 0.00 H new ATOM 0 HB2 MET A 207 -2.172 -11.093 5.226 1.00 0.00 H new ATOM 0 HB3 MET A 207 -1.384 -12.597 4.793 1.00 0.00 H new ATOM 0 HG2 MET A 207 -1.927 -11.656 7.632 1.00 0.00 H new ATOM 0 HG3 MET A 207 -2.890 -12.827 6.753 1.00 0.00 H new ATOM 0 HE1 MET A 207 -0.427 -14.427 9.692 1.00 0.00 H new ATOM 0 HE2 MET A 207 -0.751 -12.682 9.564 1.00 0.00 H new ATOM 0 HE3 MET A 207 -2.089 -13.847 9.429 1.00 0.00 H new ATOM 989 N GLU A 208 1.861 -11.368 4.185 1.00 0.00 N ATOM 990 CA GLU A 208 2.579 -11.342 2.918 1.00 0.00 C ATOM 991 C GLU A 208 2.084 -12.451 1.997 1.00 0.00 C ATOM 992 O GLU A 208 2.486 -13.607 2.129 1.00 0.00 O ATOM 993 CB GLU A 208 4.084 -11.489 3.151 1.00 0.00 C ATOM 994 CG GLU A 208 4.897 -11.495 1.867 1.00 0.00 C ATOM 995 CD GLU A 208 6.356 -11.152 2.097 1.00 0.00 C ATOM 996 OE1 GLU A 208 6.648 -9.977 2.404 1.00 0.00 O ATOM 997 OE2 GLU A 208 7.206 -12.058 1.970 1.00 0.00 O ATOM 0 H GLU A 208 2.428 -11.642 4.987 1.00 0.00 H new ATOM 0 HA GLU A 208 2.389 -10.381 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.427 -10.672 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.271 -12.415 3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 208 4.828 -12.479 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 208 4.466 -10.781 1.166 1.00 0.00 H new ATOM 1004 N GLY A 209 1.209 -12.092 1.065 1.00 0.00 N ATOM 1005 CA GLY A 209 0.672 -13.068 0.136 1.00 0.00 C ATOM 1006 C GLY A 209 -0.827 -13.250 0.283 1.00 0.00 C ATOM 1007 O GLY A 209 -1.365 -14.305 -0.053 1.00 0.00 O ATOM 0 H GLY A 209 0.862 -11.142 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 209 0.898 -12.756 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 209 1.168 -14.026 0.294 1.00 0.00 H new ATOM 1011 N LYS A 210 -1.504 -12.220 0.784 1.00 0.00 N ATOM 1012 CA LYS A 210 -2.951 -12.275 0.972 1.00 0.00 C ATOM 1013 C LYS A 210 -3.657 -12.637 -0.333 1.00 0.00 C ATOM 1014 O LYS A 210 -3.022 -12.754 -1.381 1.00 0.00 O ATOM 1015 CB LYS A 210 -3.471 -10.934 1.492 1.00 0.00 C ATOM 1016 CG LYS A 210 -3.275 -10.742 2.987 1.00 0.00 C ATOM 1017 CD LYS A 210 -4.348 -11.464 3.788 1.00 0.00 C ATOM 1018 CE LYS A 210 -3.970 -12.912 4.059 1.00 0.00 C ATOM 1019 NZ LYS A 210 -4.917 -13.864 3.413 1.00 0.00 N ATOM 0 H LYS A 210 -1.075 -11.339 1.067 1.00 0.00 H new ATOM 0 HA LYS A 210 -3.167 -13.050 1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 210 -2.965 -10.127 0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 210 -4.533 -10.851 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 210 -2.292 -11.113 3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 210 -3.297 -9.678 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 210 -4.506 -10.946 4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 210 -5.292 -11.430 3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 210 -2.961 -13.099 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 210 -3.955 -13.088 5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 -4.491 -14.812 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 -5.802 -13.898 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 -5.120 -13.547 2.443 1.00 0.00 H new ATOM 1033 N GLN A 211 -4.973 -12.816 -0.261 1.00 0.00 N ATOM 1034 CA GLN A 211 -5.760 -13.169 -1.436 1.00 0.00 C ATOM 1035 C GLN A 211 -6.281 -11.920 -2.140 1.00 0.00 C ATOM 1036 O GLN A 211 -6.403 -10.858 -1.530 1.00 0.00 O ATOM 1037 CB GLN A 211 -6.931 -14.068 -1.037 1.00 0.00 C ATOM 1038 CG GLN A 211 -6.531 -15.229 -0.141 1.00 0.00 C ATOM 1039 CD GLN A 211 -5.905 -16.373 -0.914 1.00 0.00 C ATOM 1040 OE1 GLN A 211 -6.592 -17.301 -1.338 1.00 0.00 O ATOM 1041 NE2 GLN A 211 -4.591 -16.311 -1.100 1.00 0.00 N ATOM 0 H GLN A 211 -5.515 -12.722 0.598 1.00 0.00 H new ATOM 0 HA GLN A 211 -5.113 -13.709 -2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -7.681 -13.466 -0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -7.400 -14.461 -1.939 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -5.827 -14.876 0.612 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -7.410 -15.593 0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.060 -15.522 -0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -4.113 -17.052 -1.612 1.00 0.00 H new ATOM 1050 N HIS A 212 -6.592 -12.057 -3.426 1.00 0.00 N ATOM 1051 CA HIS A 212 -7.106 -10.941 -4.215 1.00 0.00 C ATOM 1052 C HIS A 212 -8.303 -10.297 -3.522 1.00 0.00 C ATOM 1053 O HIS A 212 -8.246 -9.138 -3.112 1.00 0.00 O ATOM 1054 CB HIS A 212 -7.504 -11.421 -5.613 1.00 0.00 C ATOM 1055 CG HIS A 212 -8.085 -10.344 -6.477 1.00 0.00 C ATOM 1056 ND1 HIS A 212 -7.317 -9.519 -7.272 1.00 0.00 N ATOM 1057 CD2 HIS A 212 -9.369 -9.957 -6.667 1.00 0.00 C ATOM 1058 CE1 HIS A 212 -8.102 -8.672 -7.913 1.00 0.00 C ATOM 1059 NE2 HIS A 212 -9.351 -8.917 -7.564 1.00 0.00 N ATOM 0 H HIS A 212 -6.497 -12.930 -3.944 1.00 0.00 H new ATOM 0 HA HIS A 212 -6.317 -10.194 -4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -6.627 -11.838 -6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -8.230 -12.229 -5.517 1.00 0.00 H new ATOM 0 HD2 HIS A 212 -10.243 -10.386 -6.200 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -7.777 -7.909 -8.605 1.00 0.00 H new ATOM 0 HE2 HIS A 212 -10.171 -8.415 -7.905 1.00 0.00 H new ATOM 1068 N GLY A 213 -9.383 -11.059 -3.391 1.00 0.00 N ATOM 1069 CA GLY A 213 -10.574 -10.546 -2.742 1.00 0.00 C ATOM 1070 C GLY A 213 -10.313 -10.129 -1.309 1.00 0.00 C ATOM 1071 O GLY A 213 -11.020 -9.283 -0.762 1.00 0.00 O ATOM 0 H GLY A 213 -9.455 -12.021 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -10.952 -9.692 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -11.352 -11.309 -2.760 1.00 0.00 H new ATOM 1075 N ASP A 214 -9.292 -10.724 -0.700 1.00 0.00 N ATOM 1076 CA ASP A 214 -8.935 -10.408 0.677 1.00 0.00 C ATOM 1077 C ASP A 214 -8.258 -9.046 0.759 1.00 0.00 C ATOM 1078 O ASP A 214 -8.565 -8.242 1.639 1.00 0.00 O ATOM 1079 CB ASP A 214 -8.011 -11.485 1.247 1.00 0.00 C ATOM 1080 CG ASP A 214 -8.768 -12.717 1.701 1.00 0.00 C ATOM 1081 OD1 ASP A 214 -9.714 -13.126 0.996 1.00 0.00 O ATOM 1082 OD2 ASP A 214 -8.415 -13.273 2.762 1.00 0.00 O ATOM 0 H ASP A 214 -8.698 -11.427 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 214 -9.851 -10.377 1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 214 -7.280 -11.770 0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 214 -7.454 -11.073 2.089 1.00 0.00 H new ATOM 1087 N VAL A 215 -7.340 -8.790 -0.166 1.00 0.00 N ATOM 1088 CA VAL A 215 -6.626 -7.520 -0.198 1.00 0.00 C ATOM 1089 C VAL A 215 -7.527 -6.413 -0.729 1.00 0.00 C ATOM 1090 O VAL A 215 -7.471 -5.275 -0.267 1.00 0.00 O ATOM 1091 CB VAL A 215 -5.358 -7.597 -1.072 1.00 0.00 C ATOM 1092 CG1 VAL A 215 -4.451 -6.408 -0.797 1.00 0.00 C ATOM 1093 CG2 VAL A 215 -4.618 -8.907 -0.838 1.00 0.00 C ATOM 0 H VAL A 215 -7.073 -9.444 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 215 -6.329 -7.297 0.827 1.00 0.00 H new ATOM 0 HB VAL A 215 -5.660 -7.564 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 215 -3.561 -6.477 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 215 -4.983 -5.484 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 215 -4.158 -6.409 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 215 -3.727 -8.939 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 215 -4.327 -8.978 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 215 -5.270 -9.743 -1.091 1.00 0.00 H new ATOM 1103 N VAL A 216 -8.363 -6.762 -1.701 1.00 0.00 N ATOM 1104 CA VAL A 216 -9.287 -5.807 -2.296 1.00 0.00 C ATOM 1105 C VAL A 216 -10.386 -5.434 -1.309 1.00 0.00 C ATOM 1106 O VAL A 216 -10.809 -4.279 -1.239 1.00 0.00 O ATOM 1107 CB VAL A 216 -9.928 -6.372 -3.578 1.00 0.00 C ATOM 1108 CG1 VAL A 216 -10.801 -5.323 -4.252 1.00 0.00 C ATOM 1109 CG2 VAL A 216 -8.855 -6.874 -4.533 1.00 0.00 C ATOM 0 H VAL A 216 -8.419 -7.702 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 216 -8.712 -4.917 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 216 -10.563 -7.214 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 216 -11.243 -5.744 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 216 -11.593 -5.015 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 216 -10.193 -4.458 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 216 -9.325 -7.270 -5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 216 -8.193 -6.051 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 216 -8.277 -7.662 -4.049 1.00 0.00 H new ATOM 1119 N SER A 217 -10.841 -6.420 -0.542 1.00 0.00 N ATOM 1120 CA SER A 217 -11.886 -6.195 0.447 1.00 0.00 C ATOM 1121 C SER A 217 -11.330 -5.453 1.656 1.00 0.00 C ATOM 1122 O SER A 217 -12.026 -4.652 2.279 1.00 0.00 O ATOM 1123 CB SER A 217 -12.497 -7.526 0.890 1.00 0.00 C ATOM 1124 OG SER A 217 -13.168 -8.163 -0.184 1.00 0.00 O ATOM 0 H SER A 217 -10.502 -7.381 -0.587 1.00 0.00 H new ATOM 0 HA SER A 217 -12.663 -5.584 -0.012 1.00 0.00 H new ATOM 0 HB2 SER A 217 -11.713 -8.180 1.272 1.00 0.00 H new ATOM 0 HB3 SER A 217 -13.196 -7.354 1.709 1.00 0.00 H new ATOM 0 HG SER A 217 -12.514 -8.441 -0.859 1.00 0.00 H new ATOM 1130 N ALA A 218 -10.071 -5.725 1.981 1.00 0.00 N ATOM 1131 CA ALA A 218 -9.418 -5.083 3.115 1.00 0.00 C ATOM 1132 C ALA A 218 -9.392 -3.566 2.948 1.00 0.00 C ATOM 1133 O ALA A 218 -9.743 -2.825 3.866 1.00 0.00 O ATOM 1134 CB ALA A 218 -8.006 -5.625 3.286 1.00 0.00 C ATOM 0 H ALA A 218 -9.482 -6.386 1.475 1.00 0.00 H new ATOM 0 HA ALA A 218 -9.993 -5.311 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 218 -7.530 -5.137 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 218 -8.048 -6.700 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 218 -7.428 -5.426 2.383 1.00 0.00 H new ATOM 1140 N ILE A 219 -8.973 -3.110 1.771 1.00 0.00 N ATOM 1141 CA ILE A 219 -8.903 -1.681 1.487 1.00 0.00 C ATOM 1142 C ILE A 219 -10.286 -1.042 1.568 1.00 0.00 C ATOM 1143 O ILE A 219 -10.447 0.050 2.113 1.00 0.00 O ATOM 1144 CB ILE A 219 -8.301 -1.413 0.091 1.00 0.00 C ATOM 1145 CG1 ILE A 219 -6.937 -2.093 -0.040 1.00 0.00 C ATOM 1146 CG2 ILE A 219 -8.177 0.083 -0.159 1.00 0.00 C ATOM 1147 CD1 ILE A 219 -5.881 -1.513 0.877 1.00 0.00 C ATOM 0 H ILE A 219 -8.677 -3.709 1.000 1.00 0.00 H new ATOM 0 HA ILE A 219 -8.254 -1.236 2.241 1.00 0.00 H new ATOM 0 HB ILE A 219 -8.970 -1.832 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -7.048 -3.156 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -6.596 -2.009 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -7.751 0.253 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -9.163 0.544 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -7.528 0.526 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -4.940 -2.044 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -5.741 -0.456 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -6.200 -1.621 1.914 1.00 0.00 H new ATOM 1159 N ARG A 220 -11.279 -1.733 1.023 1.00 0.00 N ATOM 1160 CA ARG A 220 -12.654 -1.243 1.031 1.00 0.00 C ATOM 1161 C ARG A 220 -13.277 -1.395 2.416 1.00 0.00 C ATOM 1162 O ARG A 220 -14.166 -0.633 2.796 1.00 0.00 O ATOM 1163 CB ARG A 220 -13.487 -2.003 -0.003 1.00 0.00 C ATOM 1164 CG ARG A 220 -14.756 -1.278 -0.419 1.00 0.00 C ATOM 1165 CD ARG A 220 -15.504 -2.045 -1.497 1.00 0.00 C ATOM 1166 NE ARG A 220 -16.173 -3.229 -0.962 1.00 0.00 N ATOM 1167 CZ ARG A 220 -17.326 -3.193 -0.298 1.00 0.00 C ATOM 1168 NH1 ARG A 220 -17.944 -2.037 -0.090 1.00 0.00 N ATOM 1169 NH2 ARG A 220 -17.864 -4.316 0.157 1.00 0.00 N ATOM 0 H ARG A 220 -11.158 -2.638 0.568 1.00 0.00 H new ATOM 0 HA ARG A 220 -12.642 -0.184 0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 220 -12.876 -2.183 -0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 220 -13.753 -2.978 0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 220 -15.402 -1.144 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 220 -14.505 -0.283 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 220 -16.242 -1.391 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 220 -14.806 -2.345 -2.279 1.00 0.00 H new ATOM 0 HE ARG A 220 -15.730 -4.137 -1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 220 -17.536 -1.170 -0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 220 -18.827 -2.015 0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 220 -17.394 -5.207 -0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 220 -18.748 -4.289 0.666 1.00 0.00 H new ATOM 1183 N ALA A 221 -12.804 -2.389 3.161 1.00 0.00 N ATOM 1184 CA ALA A 221 -13.309 -2.656 4.503 1.00 0.00 C ATOM 1185 C ALA A 221 -12.604 -1.799 5.554 1.00 0.00 C ATOM 1186 O ALA A 221 -12.824 -1.974 6.753 1.00 0.00 O ATOM 1187 CB ALA A 221 -13.154 -4.131 4.837 1.00 0.00 C ATOM 0 H ALA A 221 -12.068 -3.026 2.856 1.00 0.00 H new ATOM 0 HA ALA A 221 -14.367 -2.393 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -13.534 -4.319 5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -13.716 -4.728 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -12.100 -4.406 4.791 1.00 0.00 H new ATOM 1193 N GLY A 222 -11.751 -0.879 5.107 1.00 0.00 N ATOM 1194 CA GLY A 222 -11.029 -0.025 6.035 1.00 0.00 C ATOM 1195 C GLY A 222 -11.926 0.936 6.801 1.00 0.00 C ATOM 1196 O GLY A 222 -11.444 1.702 7.635 1.00 0.00 O ATOM 0 H GLY A 222 -11.548 -0.711 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -10.489 -0.650 6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -10.283 0.548 5.484 1.00 0.00 H new ATOM 1200 N GLY A 223 -13.230 0.896 6.532 1.00 0.00 N ATOM 1201 CA GLY A 223 -14.161 1.773 7.225 1.00 0.00 C ATOM 1202 C GLY A 223 -13.695 3.217 7.268 1.00 0.00 C ATOM 1203 O GLY A 223 -13.288 3.775 6.249 1.00 0.00 O ATOM 0 H GLY A 223 -13.658 0.273 5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -15.132 1.725 6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -14.302 1.412 8.244 1.00 0.00 H new ATOM 1207 N ASP A 224 -13.757 3.822 8.451 1.00 0.00 N ATOM 1208 CA ASP A 224 -13.340 5.210 8.622 1.00 0.00 C ATOM 1209 C ASP A 224 -11.832 5.312 8.828 1.00 0.00 C ATOM 1210 O ASP A 224 -11.226 6.343 8.539 1.00 0.00 O ATOM 1211 CB ASP A 224 -14.067 5.844 9.807 1.00 0.00 C ATOM 1212 CG ASP A 224 -15.568 5.912 9.599 1.00 0.00 C ATOM 1213 OD1 ASP A 224 -16.178 4.857 9.329 1.00 0.00 O ATOM 1214 OD2 ASP A 224 -16.132 7.021 9.708 1.00 0.00 O ATOM 0 H ASP A 224 -14.091 3.374 9.304 1.00 0.00 H new ATOM 0 HA ASP A 224 -13.601 5.749 7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 224 -13.854 5.270 10.709 1.00 0.00 H new ATOM 0 HB3 ASP A 224 -13.680 6.850 9.970 1.00 0.00 H new ATOM 1219 N GLU A 225 -11.231 4.238 9.329 1.00 0.00 N ATOM 1220 CA GLU A 225 -9.793 4.214 9.572 1.00 0.00 C ATOM 1221 C GLU A 225 -9.145 3.027 8.870 1.00 0.00 C ATOM 1222 O GLU A 225 -9.417 1.873 9.201 1.00 0.00 O ATOM 1223 CB GLU A 225 -9.510 4.150 11.074 1.00 0.00 C ATOM 1224 CG GLU A 225 -8.056 4.416 11.430 1.00 0.00 C ATOM 1225 CD GLU A 225 -7.721 4.008 12.852 1.00 0.00 C ATOM 1226 OE1 GLU A 225 -8.410 3.118 13.392 1.00 0.00 O ATOM 1227 OE2 GLU A 225 -6.770 4.580 13.424 1.00 0.00 O ATOM 0 H GLU A 225 -11.716 3.375 9.574 1.00 0.00 H new ATOM 0 HA GLU A 225 -9.365 5.131 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 225 -10.140 4.878 11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 225 -9.793 3.166 11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 225 -7.411 3.874 10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 225 -7.842 5.477 11.300 1.00 0.00 H new ATOM 1234 N THR A 226 -8.290 3.318 7.896 1.00 0.00 N ATOM 1235 CA THR A 226 -7.608 2.271 7.144 1.00 0.00 C ATOM 1236 C THR A 226 -6.108 2.266 7.432 1.00 0.00 C ATOM 1237 O THR A 226 -5.347 3.023 6.829 1.00 0.00 O ATOM 1238 CB THR A 226 -7.848 2.456 5.644 1.00 0.00 C ATOM 1239 OG1 THR A 226 -9.202 2.790 5.391 1.00 0.00 O ATOM 1240 CG2 THR A 226 -7.520 1.223 4.829 1.00 0.00 C ATOM 0 H THR A 226 -8.053 4.268 7.609 1.00 0.00 H new ATOM 0 HA THR A 226 -8.018 1.312 7.461 1.00 0.00 H new ATOM 0 HB THR A 226 -7.179 3.261 5.341 1.00 0.00 H new ATOM 0 HG1 THR A 226 -9.336 2.906 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 226 -7.712 1.422 3.775 1.00 0.00 H new ATOM 0 HG22 THR A 226 -6.469 0.967 4.964 1.00 0.00 H new ATOM 0 HG23 THR A 226 -8.142 0.392 5.161 1.00 0.00 H new ATOM 1248 N LYS A 227 -5.688 1.398 8.349 1.00 0.00 N ATOM 1249 CA LYS A 227 -4.276 1.285 8.706 1.00 0.00 C ATOM 1250 C LYS A 227 -3.561 0.366 7.723 1.00 0.00 C ATOM 1251 O LYS A 227 -3.576 -0.854 7.879 1.00 0.00 O ATOM 1252 CB LYS A 227 -4.127 0.738 10.128 1.00 0.00 C ATOM 1253 CG LYS A 227 -5.145 1.298 11.106 1.00 0.00 C ATOM 1254 CD LYS A 227 -4.728 1.054 12.547 1.00 0.00 C ATOM 1255 CE LYS A 227 -5.723 1.657 13.525 1.00 0.00 C ATOM 1256 NZ LYS A 227 -5.672 0.988 14.854 1.00 0.00 N ATOM 0 H LYS A 227 -6.304 0.764 8.858 1.00 0.00 H new ATOM 0 HA LYS A 227 -3.827 2.277 8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -4.220 -0.348 10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -3.124 0.963 10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -5.263 2.368 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -6.116 0.838 10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -4.644 -0.018 12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -3.741 1.484 12.719 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -5.514 2.720 13.646 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -6.730 1.574 13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -6.366 1.429 15.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -5.896 -0.022 14.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -4.719 1.089 15.257 1.00 0.00 H new ATOM 1270 N LEU A 228 -2.948 0.950 6.700 1.00 0.00 N ATOM 1271 CA LEU A 228 -2.250 0.162 5.690 1.00 0.00 C ATOM 1272 C LEU A 228 -0.737 0.332 5.768 1.00 0.00 C ATOM 1273 O LEU A 228 -0.231 1.433 5.968 1.00 0.00 O ATOM 1274 CB LEU A 228 -2.734 0.556 4.294 1.00 0.00 C ATOM 1275 CG LEU A 228 -4.245 0.747 4.162 1.00 0.00 C ATOM 1276 CD1 LEU A 228 -4.574 1.548 2.914 1.00 0.00 C ATOM 1277 CD2 LEU A 228 -4.949 -0.600 4.135 1.00 0.00 C ATOM 0 H LEU A 228 -2.920 1.958 6.548 1.00 0.00 H new ATOM 0 HA LEU A 228 -2.478 -0.886 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -2.239 1.483 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -2.417 -0.210 3.587 1.00 0.00 H new ATOM 0 HG LEU A 228 -4.600 1.304 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -5.654 1.674 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -4.098 2.527 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -4.207 1.019 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -6.024 -0.447 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -4.589 -1.182 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -4.739 -1.139 5.059 1.00 0.00 H new ATOM 1289 N LEU A 229 -0.023 -0.773 5.580 1.00 0.00 N ATOM 1290 CA LEU A 229 1.434 -0.769 5.591 1.00 0.00 C ATOM 1291 C LEU A 229 1.950 -1.262 4.243 1.00 0.00 C ATOM 1292 O LEU A 229 1.810 -2.439 3.913 1.00 0.00 O ATOM 1293 CB LEU A 229 1.969 -1.666 6.711 1.00 0.00 C ATOM 1294 CG LEU A 229 3.441 -1.453 7.071 1.00 0.00 C ATOM 1295 CD1 LEU A 229 3.602 -0.244 7.982 1.00 0.00 C ATOM 1296 CD2 LEU A 229 4.013 -2.701 7.727 1.00 0.00 C ATOM 0 H LEU A 229 -0.436 -1.691 5.417 1.00 0.00 H new ATOM 0 HA LEU A 229 1.782 0.248 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 229 1.366 -1.503 7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 229 1.830 -2.707 6.418 1.00 0.00 H new ATOM 0 HG LEU A 229 3.996 -1.262 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 229 4.656 -0.110 8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 229 3.231 0.646 7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 229 3.034 -0.401 8.899 1.00 0.00 H new ATOM 0 HD21 LEU A 229 5.061 -2.533 7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 229 3.454 -2.923 8.636 1.00 0.00 H new ATOM 0 HD23 LEU A 229 3.935 -3.542 7.039 1.00 0.00 H new ATOM 1308 N VAL A 230 2.526 -0.359 3.458 1.00 0.00 N ATOM 1309 CA VAL A 230 3.035 -0.719 2.141 1.00 0.00 C ATOM 1310 C VAL A 230 4.549 -0.575 2.062 1.00 0.00 C ATOM 1311 O VAL A 230 5.198 -0.191 3.032 1.00 0.00 O ATOM 1312 CB VAL A 230 2.394 0.144 1.039 1.00 0.00 C ATOM 1313 CG1 VAL A 230 0.899 -0.118 0.956 1.00 0.00 C ATOM 1314 CG2 VAL A 230 2.672 1.620 1.286 1.00 0.00 C ATOM 0 H VAL A 230 2.652 0.622 3.709 1.00 0.00 H new ATOM 0 HA VAL A 230 2.770 -1.765 1.983 1.00 0.00 H new ATOM 0 HB VAL A 230 2.840 -0.131 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 230 0.464 0.501 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 230 0.726 -1.169 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 230 0.433 0.126 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 230 2.211 2.214 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 230 2.256 1.912 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 230 3.748 1.792 1.288 1.00 0.00 H new ATOM 1324 N VAL A 231 5.103 -0.885 0.895 1.00 0.00 N ATOM 1325 CA VAL A 231 6.543 -0.789 0.678 1.00 0.00 C ATOM 1326 C VAL A 231 6.855 0.192 -0.447 1.00 0.00 C ATOM 1327 O VAL A 231 5.967 0.587 -1.202 1.00 0.00 O ATOM 1328 CB VAL A 231 7.161 -2.159 0.332 1.00 0.00 C ATOM 1329 CG1 VAL A 231 8.658 -2.152 0.593 1.00 0.00 C ATOM 1330 CG2 VAL A 231 6.482 -3.274 1.116 1.00 0.00 C ATOM 0 H VAL A 231 4.576 -1.206 0.083 1.00 0.00 H new ATOM 0 HA VAL A 231 6.980 -0.433 1.611 1.00 0.00 H new ATOM 0 HB VAL A 231 7.000 -2.346 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 231 9.076 -3.127 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 231 9.131 -1.386 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 231 8.843 -1.937 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 231 6.935 -4.230 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 231 6.604 -3.094 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 231 5.420 -3.297 0.871 1.00 0.00 H new ATOM 1340 N ASP A 232 8.120 0.585 -0.553 1.00 0.00 N ATOM 1341 CA ASP A 232 8.544 1.524 -1.586 1.00 0.00 C ATOM 1342 C ASP A 232 8.974 0.793 -2.853 1.00 0.00 C ATOM 1343 O ASP A 232 10.004 0.119 -2.874 1.00 0.00 O ATOM 1344 CB ASP A 232 9.694 2.388 -1.071 1.00 0.00 C ATOM 1345 CG ASP A 232 10.102 3.460 -2.063 1.00 0.00 C ATOM 1346 OD1 ASP A 232 9.289 3.784 -2.954 1.00 0.00 O ATOM 1347 OD2 ASP A 232 11.234 3.974 -1.948 1.00 0.00 O ATOM 0 H ASP A 232 8.869 0.268 0.063 1.00 0.00 H new ATOM 0 HA ASP A 232 7.694 2.161 -1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 232 9.399 2.858 -0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 232 10.553 1.753 -0.853 1.00 0.00 H new ATOM 1352 N ARG A 233 8.181 0.937 -3.910 1.00 0.00 N ATOM 1353 CA ARG A 233 8.484 0.297 -5.184 1.00 0.00 C ATOM 1354 C ARG A 233 9.123 1.289 -6.152 1.00 0.00 C ATOM 1355 O ARG A 233 9.850 0.898 -7.066 1.00 0.00 O ATOM 1356 CB ARG A 233 7.215 -0.289 -5.805 1.00 0.00 C ATOM 1357 CG ARG A 233 7.487 -1.203 -6.989 1.00 0.00 C ATOM 1358 CD ARG A 233 6.254 -1.367 -7.863 1.00 0.00 C ATOM 1359 NE ARG A 233 6.588 -1.363 -9.286 1.00 0.00 N ATOM 1360 CZ ARG A 233 5.690 -1.218 -10.258 1.00 0.00 C ATOM 1361 NH1 ARG A 233 4.404 -1.066 -9.967 1.00 0.00 N ATOM 1362 NH2 ARG A 233 6.080 -1.225 -11.526 1.00 0.00 N ATOM 0 H ARG A 233 7.324 1.491 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 233 9.192 -0.510 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 233 6.671 -0.847 -5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 233 6.567 0.526 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 233 8.304 -0.795 -7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 233 7.811 -2.179 -6.629 1.00 0.00 H new ATOM 0 HD2 ARG A 233 5.752 -2.301 -7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 233 5.551 -0.561 -7.653 1.00 0.00 H new ATOM 0 HE ARG A 233 7.567 -1.478 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 233 4.099 -1.060 -8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 233 3.721 -0.955 -10.717 1.00 0.00 H new ATOM 0 HH21 ARG A 233 7.067 -1.341 -11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 233 5.393 -1.114 -12.272 1.00 0.00 H new