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 177 GLN : amide:sc= -1.62 K(o=-2.3,f=-3.4!) USER MOD Set 1.2: A 212 HIS : no HD1:sc= -0.699 K(o=-2.3,f=-3.4) USER MOD Set 2.1: A 159 LYS NZ :NH3+ -125:sc= 0.612 (180deg=0.0516) USER MOD Set 2.2: A 164 TYR OH : rot -161:sc= -1.78! USER MOD Set 3.1: A 155 CYS SG : rot -140:sc= -1.13 USER MOD Set 3.2: A 191 SER OG : rot 80:sc= 0.908 USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -148:sc= -4 (180deg=-9.09!) USER MOD Single : A 158 LYS NZ :NH3+ 173:sc= -0.0541 (180deg=-0.0812) USER MOD Single : A 162 SER OG : rot -160:sc= 0 USER MOD Single : A 167 ASN : amide:sc= -2.69 K(o=-2.7,f=-3.4!) USER MOD Single : A 169 HIS : no HD1:sc= -3.09 X(o=-3.1,f=-3.4!) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ -156:sc= -0.0771 (180deg=-0.421) 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 181 SER OG : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot -130:sc= -1.55 USER MOD Single : A 196 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 203 ASN : amide:sc= -0.516 X(o=-0.52,f=-0.74) USER MOD Single : A 206 CYS SG : rot 180:sc= -0.591 USER MOD Single : A 207 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 210 LYS NZ :NH3+ -177:sc= 0.855 (180deg=0.83) USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 217 SER OG : rot 85:sc= 0.568 USER MOD Single : A 226 THR OG1 : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 151 12.988 -1.276 2.825 1.00 0.00 N ATOM 126 CA ARG A 151 12.246 -1.801 3.973 1.00 0.00 C ATOM 127 C ARG A 151 10.782 -1.357 3.944 1.00 0.00 C ATOM 128 O ARG A 151 10.452 -0.310 3.386 1.00 0.00 O ATOM 129 CB ARG A 151 12.900 -1.344 5.278 1.00 0.00 C ATOM 130 CG ARG A 151 12.855 0.161 5.488 1.00 0.00 C ATOM 131 CD ARG A 151 13.168 0.532 6.929 1.00 0.00 C ATOM 132 NE ARG A 151 12.098 0.137 7.841 1.00 0.00 N ATOM 133 CZ ARG A 151 10.965 0.821 7.995 1.00 0.00 C ATOM 134 NH1 ARG A 151 10.753 1.932 7.301 1.00 0.00 N ATOM 135 NH2 ARG A 151 10.043 0.391 8.846 1.00 0.00 N ATOM 0 HA ARG A 151 12.272 -2.889 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 151 12.402 -1.834 6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 151 13.939 -1.673 5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 151 13.571 0.644 4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 151 11.868 0.537 5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 151 14.099 0.052 7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 151 13.326 1.608 7.000 1.00 0.00 H new ATOM 0 HE ARG A 151 12.225 -0.712 8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 151 11.459 2.266 6.646 1.00 0.00 H new ATOM 0 HH12 ARG A 151 9.884 2.451 7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 151 10.202 -0.462 9.382 1.00 0.00 H new ATOM 0 HH22 ARG A 151 9.175 0.914 8.965 1.00 0.00 H new ATOM 149 N PRO A 152 9.884 -2.158 4.538 1.00 0.00 N ATOM 150 CA PRO A 152 8.448 -1.854 4.571 1.00 0.00 C ATOM 151 C PRO A 152 8.131 -0.582 5.352 1.00 0.00 C ATOM 152 O PRO A 152 8.854 -0.210 6.276 1.00 0.00 O ATOM 153 CB PRO A 152 7.833 -3.075 5.264 1.00 0.00 C ATOM 154 CG PRO A 152 8.956 -3.704 6.016 1.00 0.00 C ATOM 155 CD PRO A 152 10.197 -3.427 5.217 1.00 0.00 C ATOM 0 HA PRO A 152 8.056 -1.673 3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 152 7.025 -2.782 5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 152 7.409 -3.768 4.538 1.00 0.00 H new ATOM 0 HG2 PRO A 152 9.036 -3.285 7.019 1.00 0.00 H new ATOM 0 HG3 PRO A 152 8.797 -4.776 6.130 1.00 0.00 H new ATOM 0 HD2 PRO A 152 11.075 -3.336 5.856 1.00 0.00 H new ATOM 0 HD3 PRO A 152 10.403 -4.225 4.504 1.00 0.00 H new ATOM 163 N ARG A 153 7.041 0.079 4.971 1.00 0.00 N ATOM 164 CA ARG A 153 6.616 1.309 5.630 1.00 0.00 C ATOM 165 C ARG A 153 5.135 1.242 5.995 1.00 0.00 C ATOM 166 O ARG A 153 4.337 0.639 5.278 1.00 0.00 O ATOM 167 CB ARG A 153 6.876 2.515 4.725 1.00 0.00 C ATOM 168 CG ARG A 153 8.339 2.692 4.350 1.00 0.00 C ATOM 169 CD ARG A 153 8.509 3.705 3.229 1.00 0.00 C ATOM 170 NE ARG A 153 9.590 4.650 3.503 1.00 0.00 N ATOM 171 CZ ARG A 153 10.880 4.372 3.326 1.00 0.00 C ATOM 172 NH1 ARG A 153 11.254 3.181 2.875 1.00 0.00 N ATOM 173 NH2 ARG A 153 11.798 5.289 3.600 1.00 0.00 N ATOM 0 H ARG A 153 6.435 -0.219 4.207 1.00 0.00 H new ATOM 0 HA ARG A 153 7.196 1.422 6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 153 6.287 2.409 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 153 6.527 3.417 5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 153 8.903 3.017 5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 153 8.755 1.733 4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 153 8.714 3.181 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 153 7.576 4.252 3.090 1.00 0.00 H new ATOM 0 HE ARG A 153 9.342 5.576 3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 153 10.552 2.473 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 153 12.244 2.974 2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 153 11.515 6.206 3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 153 12.787 5.077 3.465 1.00 0.00 H new ATOM 187 N LEU A 154 4.775 1.859 7.117 1.00 0.00 N ATOM 188 CA LEU A 154 3.391 1.862 7.579 1.00 0.00 C ATOM 189 C LEU A 154 2.646 3.097 7.081 1.00 0.00 C ATOM 190 O LEU A 154 3.180 4.206 7.096 1.00 0.00 O ATOM 191 CB LEU A 154 3.344 1.806 9.108 1.00 0.00 C ATOM 192 CG LEU A 154 1.947 1.920 9.720 1.00 0.00 C ATOM 193 CD1 LEU A 154 1.181 0.618 9.549 1.00 0.00 C ATOM 194 CD2 LEU A 154 2.040 2.296 11.191 1.00 0.00 C ATOM 0 H LEU A 154 5.423 2.363 7.723 1.00 0.00 H new ATOM 0 HA LEU A 154 2.899 0.979 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.791 0.868 9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.964 2.610 9.505 1.00 0.00 H new ATOM 0 HG LEU A 154 1.405 2.708 9.197 1.00 0.00 H new ATOM 0 HD11 LEU A 154 0.190 0.718 9.991 1.00 0.00 H new ATOM 0 HD12 LEU A 154 1.084 0.390 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.719 -0.189 10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 154 1.037 2.373 11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 154 2.600 1.530 11.728 1.00 0.00 H new ATOM 0 HD23 LEU A 154 2.549 3.255 11.290 1.00 0.00 H new ATOM 206 N CYS A 155 1.405 2.896 6.645 1.00 0.00 N ATOM 207 CA CYS A 155 0.580 3.990 6.148 1.00 0.00 C ATOM 208 C CYS A 155 -0.794 3.976 6.809 1.00 0.00 C ATOM 209 O CYS A 155 -1.383 2.915 7.016 1.00 0.00 O ATOM 210 CB CYS A 155 0.430 3.895 4.628 1.00 0.00 C ATOM 211 SG CYS A 155 -0.487 5.268 3.891 1.00 0.00 S ATOM 0 H CYS A 155 0.949 1.984 6.626 1.00 0.00 H new ATOM 0 HA CYS A 155 1.075 4.929 6.398 1.00 0.00 H new ATOM 0 HB2 CYS A 155 1.422 3.851 4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -0.074 2.961 4.381 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.266 4.816 2.954 1.00 0.00 H new ATOM 217 N THR A 156 -1.300 5.160 7.138 1.00 0.00 N ATOM 218 CA THR A 156 -2.606 5.283 7.776 1.00 0.00 C ATOM 219 C THR A 156 -3.467 6.313 7.054 1.00 0.00 C ATOM 220 O THR A 156 -3.226 7.516 7.154 1.00 0.00 O ATOM 221 CB THR A 156 -2.444 5.675 9.246 1.00 0.00 C ATOM 222 OG1 THR A 156 -1.384 4.951 9.843 1.00 0.00 O ATOM 223 CG2 THR A 156 -3.689 5.431 10.071 1.00 0.00 C ATOM 0 H THR A 156 -0.826 6.048 6.973 1.00 0.00 H new ATOM 0 HA THR A 156 -3.104 4.315 7.719 1.00 0.00 H new ATOM 0 HB THR A 156 -2.237 6.745 9.239 1.00 0.00 H new ATOM 0 HG1 THR A 156 -1.295 5.216 10.782 1.00 0.00 H new ATOM 0 HG21 THR A 156 -3.506 5.730 11.103 1.00 0.00 H new ATOM 0 HG22 THR A 156 -4.515 6.015 9.665 1.00 0.00 H new ATOM 0 HG23 THR A 156 -3.944 4.372 10.040 1.00 0.00 H new ATOM 231 N MET A 157 -4.472 5.835 6.327 1.00 0.00 N ATOM 232 CA MET A 157 -5.367 6.718 5.588 1.00 0.00 C ATOM 233 C MET A 157 -6.755 6.734 6.219 1.00 0.00 C ATOM 234 O MET A 157 -7.241 5.712 6.704 1.00 0.00 O ATOM 235 CB MET A 157 -5.462 6.278 4.126 1.00 0.00 C ATOM 236 CG MET A 157 -5.687 4.785 3.952 1.00 0.00 C ATOM 237 SD MET A 157 -6.304 4.362 2.312 1.00 0.00 S ATOM 238 CE MET A 157 -4.853 4.679 1.311 1.00 0.00 C ATOM 0 H MET A 157 -4.687 4.842 6.234 1.00 0.00 H new ATOM 0 HA MET A 157 -4.957 7.727 5.628 1.00 0.00 H new ATOM 0 HB2 MET A 157 -6.278 6.818 3.645 1.00 0.00 H new ATOM 0 HB3 MET A 157 -4.545 6.561 3.610 1.00 0.00 H new ATOM 0 HG2 MET A 157 -4.750 4.257 4.131 1.00 0.00 H new ATOM 0 HG3 MET A 157 -6.397 4.438 4.703 1.00 0.00 H new ATOM 0 HE1 MET A 157 -5.160 5.020 0.322 1.00 0.00 H new ATOM 0 HE2 MET A 157 -4.243 5.447 1.787 1.00 0.00 H new ATOM 0 HE3 MET A 157 -4.271 3.763 1.214 1.00 0.00 H new ATOM 248 N LYS A 158 -7.388 7.903 6.211 1.00 0.00 N ATOM 249 CA LYS A 158 -8.720 8.054 6.784 1.00 0.00 C ATOM 250 C LYS A 158 -9.775 8.178 5.690 1.00 0.00 C ATOM 251 O LYS A 158 -9.662 9.014 4.794 1.00 0.00 O ATOM 252 CB LYS A 158 -8.767 9.280 7.696 1.00 0.00 C ATOM 253 CG LYS A 158 -7.998 9.102 8.995 1.00 0.00 C ATOM 254 CD LYS A 158 -7.927 10.400 9.783 1.00 0.00 C ATOM 255 CE LYS A 158 -6.578 11.082 9.614 1.00 0.00 C ATOM 256 NZ LYS A 158 -6.319 11.457 8.196 1.00 0.00 N ATOM 0 H LYS A 158 -7.000 8.759 5.814 1.00 0.00 H new ATOM 0 HA LYS A 158 -8.938 7.162 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -8.363 10.138 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -9.807 9.510 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -8.478 8.333 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.989 8.752 8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -8.719 11.071 9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -8.103 10.196 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.542 11.975 10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -5.789 10.417 9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -5.448 12.022 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -6.210 10.596 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -7.118 12.015 7.833 1.00 0.00 H new ATOM 270 N LYS A 159 -10.803 7.340 5.774 1.00 0.00 N ATOM 271 CA LYS A 159 -11.884 7.352 4.796 1.00 0.00 C ATOM 272 C LYS A 159 -12.582 8.710 4.775 1.00 0.00 C ATOM 273 O LYS A 159 -12.313 9.542 3.909 1.00 0.00 O ATOM 274 CB LYS A 159 -12.888 6.239 5.117 1.00 0.00 C ATOM 275 CG LYS A 159 -14.152 6.273 4.269 1.00 0.00 C ATOM 276 CD LYS A 159 -13.922 5.656 2.900 1.00 0.00 C ATOM 277 CE LYS A 159 -14.437 4.226 2.842 1.00 0.00 C ATOM 278 NZ LYS A 159 -14.993 3.889 1.503 1.00 0.00 N ATOM 0 H LYS A 159 -10.910 6.643 6.511 1.00 0.00 H new ATOM 0 HA LYS A 159 -11.461 7.175 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -12.399 5.274 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -13.167 6.310 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -14.950 5.736 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -14.486 7.304 4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -14.423 6.256 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -12.857 5.671 2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -13.626 3.538 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -15.208 4.087 3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -15.968 3.543 1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -14.990 4.738 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -14.410 3.150 1.061 1.00 0.00 H new ATOM 292 N GLY A 160 -13.479 8.928 5.733 1.00 0.00 N ATOM 293 CA GLY A 160 -14.199 10.187 5.802 1.00 0.00 C ATOM 294 C GLY A 160 -14.930 10.508 4.511 1.00 0.00 C ATOM 295 O GLY A 160 -15.235 9.607 3.729 1.00 0.00 O ATOM 0 H GLY A 160 -13.720 8.256 6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -14.916 10.148 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -13.499 10.991 6.029 1.00 0.00 H new ATOM 299 N PRO A 161 -15.225 11.794 4.256 1.00 0.00 N ATOM 300 CA PRO A 161 -15.925 12.216 3.042 1.00 0.00 C ATOM 301 C PRO A 161 -15.012 12.251 1.818 1.00 0.00 C ATOM 302 O PRO A 161 -15.455 12.562 0.712 1.00 0.00 O ATOM 303 CB PRO A 161 -16.399 13.625 3.393 1.00 0.00 C ATOM 304 CG PRO A 161 -15.379 14.134 4.352 1.00 0.00 C ATOM 305 CD PRO A 161 -14.900 12.937 5.132 1.00 0.00 C ATOM 0 HA PRO A 161 -16.726 11.528 2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -16.459 14.256 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -17.392 13.609 3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -14.553 14.611 3.825 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -15.809 14.884 5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -13.831 12.994 5.336 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -15.404 12.859 6.095 1.00 0.00 H new ATOM 313 N SER A 162 -13.735 11.934 2.019 1.00 0.00 N ATOM 314 CA SER A 162 -12.768 11.936 0.927 1.00 0.00 C ATOM 315 C SER A 162 -12.493 10.518 0.433 1.00 0.00 C ATOM 316 O SER A 162 -12.188 10.311 -0.742 1.00 0.00 O ATOM 317 CB SER A 162 -11.462 12.592 1.377 1.00 0.00 C ATOM 318 OG SER A 162 -11.008 12.038 2.600 1.00 0.00 O ATOM 0 H SER A 162 -13.348 11.673 2.926 1.00 0.00 H new ATOM 0 HA SER A 162 -13.193 12.510 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 162 -10.701 12.458 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 162 -11.612 13.665 1.494 1.00 0.00 H new ATOM 0 HG SER A 162 -10.379 12.657 3.026 1.00 0.00 H new ATOM 324 N GLY A 163 -12.600 9.545 1.333 1.00 0.00 N ATOM 325 CA GLY A 163 -12.356 8.165 0.960 1.00 0.00 C ATOM 326 C GLY A 163 -10.893 7.785 1.074 1.00 0.00 C ATOM 327 O GLY A 163 -10.270 7.994 2.114 1.00 0.00 O ATOM 0 H GLY A 163 -12.851 9.688 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -12.950 7.509 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -12.692 8.004 -0.064 1.00 0.00 H new ATOM 331 N TYR A 164 -10.345 7.225 0.002 1.00 0.00 N ATOM 332 CA TYR A 164 -8.946 6.813 -0.015 1.00 0.00 C ATOM 333 C TYR A 164 -8.127 7.713 -0.935 1.00 0.00 C ATOM 334 O TYR A 164 -7.080 8.229 -0.545 1.00 0.00 O ATOM 335 CB TYR A 164 -8.828 5.355 -0.467 1.00 0.00 C ATOM 336 CG TYR A 164 -9.909 4.458 0.095 1.00 0.00 C ATOM 337 CD1 TYR A 164 -9.923 4.116 1.441 1.00 0.00 C ATOM 338 CD2 TYR A 164 -10.916 3.958 -0.720 1.00 0.00 C ATOM 339 CE1 TYR A 164 -10.911 3.299 1.959 1.00 0.00 C ATOM 340 CE2 TYR A 164 -11.907 3.142 -0.210 1.00 0.00 C ATOM 341 CZ TYR A 164 -11.900 2.816 1.129 1.00 0.00 C ATOM 342 OH TYR A 164 -12.886 2.002 1.640 1.00 0.00 O ATOM 0 H TYR A 164 -10.848 7.046 -0.867 1.00 0.00 H new ATOM 0 HA TYR A 164 -8.552 6.904 0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -8.865 5.317 -1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -7.854 4.968 -0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -9.150 4.494 2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -10.925 4.211 -1.770 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -10.908 3.041 3.008 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -12.683 2.761 -0.857 1.00 0.00 H new ATOM 0 HH TYR A 164 -13.315 1.510 0.909 1.00 0.00 H new ATOM 352 N GLY A 165 -8.616 7.898 -2.157 1.00 0.00 N ATOM 353 CA GLY A 165 -7.922 8.738 -3.115 1.00 0.00 C ATOM 354 C GLY A 165 -6.842 7.996 -3.881 1.00 0.00 C ATOM 355 O GLY A 165 -6.004 8.617 -4.532 1.00 0.00 O ATOM 0 H GLY A 165 -9.481 7.481 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -8.644 9.148 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -7.474 9.583 -2.592 1.00 0.00 H new ATOM 359 N PHE A 166 -6.856 6.668 -3.806 1.00 0.00 N ATOM 360 CA PHE A 166 -5.857 5.862 -4.507 1.00 0.00 C ATOM 361 C PHE A 166 -6.500 4.829 -5.425 1.00 0.00 C ATOM 362 O PHE A 166 -7.723 4.713 -5.497 1.00 0.00 O ATOM 363 CB PHE A 166 -4.919 5.165 -3.512 1.00 0.00 C ATOM 364 CG PHE A 166 -5.573 4.147 -2.604 1.00 0.00 C ATOM 365 CD1 PHE A 166 -6.941 3.903 -2.641 1.00 0.00 C ATOM 366 CD2 PHE A 166 -4.800 3.430 -1.704 1.00 0.00 C ATOM 367 CE1 PHE A 166 -7.517 2.969 -1.801 1.00 0.00 C ATOM 368 CE2 PHE A 166 -5.372 2.496 -0.862 1.00 0.00 C ATOM 369 CZ PHE A 166 -6.732 2.265 -0.911 1.00 0.00 C ATOM 0 H PHE A 166 -7.540 6.130 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 166 -5.276 6.546 -5.126 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -4.126 4.670 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -4.444 5.926 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -7.562 4.450 -3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -3.735 3.604 -1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -8.581 2.790 -1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -4.755 1.947 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 166 -7.181 1.535 -0.254 1.00 0.00 H new ATOM 379 N ASN A 167 -5.654 4.079 -6.123 1.00 0.00 N ATOM 380 CA ASN A 167 -6.111 3.042 -7.043 1.00 0.00 C ATOM 381 C ASN A 167 -5.305 1.762 -6.839 1.00 0.00 C ATOM 382 O ASN A 167 -4.192 1.799 -6.314 1.00 0.00 O ATOM 383 CB ASN A 167 -5.977 3.516 -8.496 1.00 0.00 C ATOM 384 CG ASN A 167 -6.847 4.716 -8.835 1.00 0.00 C ATOM 385 OD1 ASN A 167 -6.587 5.422 -9.809 1.00 0.00 O ATOM 386 ND2 ASN A 167 -7.883 4.952 -8.044 1.00 0.00 N ATOM 0 H ASN A 167 -4.640 4.171 -6.068 1.00 0.00 H new ATOM 0 HA ASN A 167 -7.161 2.837 -6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -4.935 3.769 -8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -6.235 2.693 -9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -8.499 5.743 -8.233 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -8.065 4.343 -7.246 1.00 0.00 H new ATOM 393 N LEU A 168 -5.871 0.631 -7.247 1.00 0.00 N ATOM 394 CA LEU A 168 -5.196 -0.653 -7.093 1.00 0.00 C ATOM 395 C LEU A 168 -5.255 -1.477 -8.378 1.00 0.00 C ATOM 396 O LEU A 168 -6.222 -1.400 -9.136 1.00 0.00 O ATOM 397 CB LEU A 168 -5.829 -1.451 -5.949 1.00 0.00 C ATOM 398 CG LEU A 168 -5.757 -0.793 -4.569 1.00 0.00 C ATOM 399 CD1 LEU A 168 -4.321 -0.440 -4.218 1.00 0.00 C ATOM 400 CD2 LEU A 168 -6.643 0.445 -4.516 1.00 0.00 C ATOM 0 H LEU A 168 -6.791 0.577 -7.685 1.00 0.00 H new ATOM 0 HA LEU A 168 -4.150 -0.447 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -6.876 -1.633 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -5.341 -2.424 -5.894 1.00 0.00 H new ATOM 0 HG LEU A 168 -6.124 -1.507 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -4.291 0.027 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -3.715 -1.346 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -3.925 0.253 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -6.577 0.897 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -6.311 1.163 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -7.676 0.162 -4.718 1.00 0.00 H new ATOM 412 N HIS A 169 -4.216 -2.277 -8.604 1.00 0.00 N ATOM 413 CA HIS A 169 -4.145 -3.136 -9.782 1.00 0.00 C ATOM 414 C HIS A 169 -3.689 -4.537 -9.383 1.00 0.00 C ATOM 415 O HIS A 169 -2.934 -4.701 -8.424 1.00 0.00 O ATOM 416 CB HIS A 169 -3.186 -2.551 -10.824 1.00 0.00 C ATOM 417 CG HIS A 169 -1.742 -2.612 -10.422 1.00 0.00 C ATOM 418 ND1 HIS A 169 -1.059 -3.799 -10.251 1.00 0.00 N ATOM 419 CD2 HIS A 169 -0.849 -1.628 -10.162 1.00 0.00 C ATOM 420 CE1 HIS A 169 0.189 -3.540 -9.901 1.00 0.00 C ATOM 421 NE2 HIS A 169 0.342 -2.231 -9.841 1.00 0.00 N ATOM 0 H HIS A 169 -3.409 -2.348 -7.984 1.00 0.00 H new ATOM 0 HA HIS A 169 -5.140 -3.196 -10.223 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -3.314 -3.088 -11.764 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -3.458 -1.512 -11.011 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -1.038 -0.565 -10.200 1.00 0.00 H new ATOM 0 HE1 HIS A 169 0.954 -4.275 -9.698 1.00 0.00 H new ATOM 0 HE2 HIS A 169 1.205 -1.746 -9.596 1.00 0.00 H new ATOM 430 N SER A 170 -4.150 -5.544 -10.117 1.00 0.00 N ATOM 431 CA SER A 170 -3.782 -6.925 -9.823 1.00 0.00 C ATOM 432 C SER A 170 -3.636 -7.746 -11.099 1.00 0.00 C ATOM 433 O SER A 170 -4.328 -7.508 -12.089 1.00 0.00 O ATOM 434 CB SER A 170 -4.825 -7.571 -8.910 1.00 0.00 C ATOM 435 OG SER A 170 -4.403 -8.854 -8.482 1.00 0.00 O ATOM 0 H SER A 170 -4.775 -5.432 -10.915 1.00 0.00 H new ATOM 0 HA SER A 170 -2.818 -6.908 -9.315 1.00 0.00 H new ATOM 0 HB2 SER A 170 -4.998 -6.934 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 170 -5.774 -7.655 -9.439 1.00 0.00 H new ATOM 0 HG SER A 170 -5.086 -9.245 -7.898 1.00 0.00 H new ATOM 441 N ASP A 171 -2.731 -8.718 -11.062 1.00 0.00 N ATOM 442 CA ASP A 171 -2.488 -9.588 -12.207 1.00 0.00 C ATOM 443 C ASP A 171 -2.514 -11.054 -11.783 1.00 0.00 C ATOM 444 O ASP A 171 -3.476 -11.772 -12.055 1.00 0.00 O ATOM 445 CB ASP A 171 -1.143 -9.249 -12.856 1.00 0.00 C ATOM 446 CG ASP A 171 -0.846 -10.120 -14.061 1.00 0.00 C ATOM 447 OD1 ASP A 171 -1.743 -10.276 -14.916 1.00 0.00 O ATOM 448 OD2 ASP A 171 0.284 -10.645 -14.151 1.00 0.00 O ATOM 0 H ASP A 171 -2.152 -8.924 -10.248 1.00 0.00 H new ATOM 0 HA ASP A 171 -3.281 -9.425 -12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -1.143 -8.202 -13.159 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -0.348 -9.368 -12.120 1.00 0.00 H new ATOM 453 N LYS A 172 -1.452 -11.490 -11.110 1.00 0.00 N ATOM 454 CA LYS A 172 -1.356 -12.868 -10.642 1.00 0.00 C ATOM 455 C LYS A 172 -1.943 -13.004 -9.241 1.00 0.00 C ATOM 456 O LYS A 172 -2.324 -12.011 -8.621 1.00 0.00 O ATOM 457 CB LYS A 172 0.103 -13.331 -10.644 1.00 0.00 C ATOM 458 CG LYS A 172 0.646 -13.629 -12.031 1.00 0.00 C ATOM 459 CD LYS A 172 0.137 -14.962 -12.556 1.00 0.00 C ATOM 460 CE LYS A 172 -0.095 -14.918 -14.058 1.00 0.00 C ATOM 461 NZ LYS A 172 -1.201 -13.990 -14.425 1.00 0.00 N ATOM 0 H LYS A 172 -0.647 -10.909 -10.877 1.00 0.00 H new ATOM 0 HA LYS A 172 -1.929 -13.499 -11.322 1.00 0.00 H new ATOM 0 HB2 LYS A 172 0.720 -12.562 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 172 0.192 -14.226 -10.028 1.00 0.00 H new ATOM 0 HG2 LYS A 172 0.355 -12.832 -12.715 1.00 0.00 H new ATOM 0 HG3 LYS A 172 1.736 -13.641 -12.001 1.00 0.00 H new ATOM 0 HD2 LYS A 172 0.857 -15.746 -12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -0.793 -15.222 -12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 172 0.822 -14.605 -14.557 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -0.328 -15.920 -14.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -1.599 -14.271 -15.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -1.944 -14.031 -13.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -0.833 -13.019 -14.489 1.00 0.00 H new ATOM 475 N SER A 173 -2.013 -14.235 -8.746 1.00 0.00 N ATOM 476 CA SER A 173 -2.554 -14.492 -7.415 1.00 0.00 C ATOM 477 C SER A 173 -1.457 -14.925 -6.446 1.00 0.00 C ATOM 478 O SER A 173 -1.734 -15.532 -5.412 1.00 0.00 O ATOM 479 CB SER A 173 -3.643 -15.563 -7.481 1.00 0.00 C ATOM 480 OG SER A 173 -4.848 -15.036 -8.009 1.00 0.00 O ATOM 0 H SER A 173 -1.703 -15.069 -9.244 1.00 0.00 H new ATOM 0 HA SER A 173 -2.988 -13.562 -7.047 1.00 0.00 H new ATOM 0 HB2 SER A 173 -3.304 -16.393 -8.101 1.00 0.00 H new ATOM 0 HB3 SER A 173 -3.824 -15.963 -6.483 1.00 0.00 H new ATOM 0 HG SER A 173 -5.527 -15.742 -8.042 1.00 0.00 H new ATOM 486 N LYS A 174 -0.211 -14.611 -6.787 1.00 0.00 N ATOM 487 CA LYS A 174 0.925 -14.973 -5.944 1.00 0.00 C ATOM 488 C LYS A 174 1.534 -13.746 -5.257 1.00 0.00 C ATOM 489 O LYS A 174 1.755 -13.760 -4.047 1.00 0.00 O ATOM 490 CB LYS A 174 1.993 -15.704 -6.763 1.00 0.00 C ATOM 491 CG LYS A 174 1.441 -16.849 -7.596 1.00 0.00 C ATOM 492 CD LYS A 174 2.556 -17.694 -8.191 1.00 0.00 C ATOM 493 CE LYS A 174 3.404 -18.341 -7.108 1.00 0.00 C ATOM 494 NZ LYS A 174 3.976 -19.642 -7.552 1.00 0.00 N ATOM 0 H LYS A 174 0.038 -14.108 -7.639 1.00 0.00 H new ATOM 0 HA LYS A 174 0.554 -15.642 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 174 2.485 -14.990 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 174 2.755 -16.092 -6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 174 0.800 -17.475 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 174 0.818 -16.450 -8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 174 2.127 -18.467 -8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 174 3.187 -17.071 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 174 4.213 -17.666 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 174 2.797 -18.497 -6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 4.547 -20.050 -6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 3.204 -20.296 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 4.576 -19.490 -8.387 1.00 0.00 H new ATOM 508 N PRO A 175 1.817 -12.665 -6.011 1.00 0.00 N ATOM 509 CA PRO A 175 2.403 -11.445 -5.443 1.00 0.00 C ATOM 510 C PRO A 175 1.460 -10.755 -4.465 1.00 0.00 C ATOM 511 O PRO A 175 1.807 -10.528 -3.306 1.00 0.00 O ATOM 512 CB PRO A 175 2.654 -10.549 -6.665 1.00 0.00 C ATOM 513 CG PRO A 175 2.563 -11.455 -7.846 1.00 0.00 C ATOM 514 CD PRO A 175 1.598 -12.535 -7.460 1.00 0.00 C ATOM 0 HA PRO A 175 3.306 -11.662 -4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 175 1.915 -9.750 -6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 175 3.633 -10.074 -6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 175 2.214 -10.916 -8.727 1.00 0.00 H new ATOM 0 HG3 PRO A 175 3.539 -11.873 -8.094 1.00 0.00 H new ATOM 0 HD2 PRO A 175 0.569 -12.259 -7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 175 1.803 -13.468 -7.985 1.00 0.00 H new ATOM 522 N GLY A 176 0.264 -10.422 -4.941 1.00 0.00 N ATOM 523 CA GLY A 176 -0.714 -9.760 -4.097 1.00 0.00 C ATOM 524 C GLY A 176 -1.313 -8.533 -4.756 1.00 0.00 C ATOM 525 O GLY A 176 -1.313 -8.417 -5.982 1.00 0.00 O ATOM 0 H GLY A 176 -0.045 -10.599 -5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 176 -1.511 -10.462 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 176 -0.242 -9.471 -3.158 1.00 0.00 H new ATOM 529 N GLN A 177 -1.825 -7.616 -3.942 1.00 0.00 N ATOM 530 CA GLN A 177 -2.430 -6.391 -4.454 1.00 0.00 C ATOM 531 C GLN A 177 -1.480 -5.209 -4.295 1.00 0.00 C ATOM 532 O GLN A 177 -0.849 -5.044 -3.251 1.00 0.00 O ATOM 533 CB GLN A 177 -3.746 -6.106 -3.726 1.00 0.00 C ATOM 534 CG GLN A 177 -4.447 -4.844 -4.205 1.00 0.00 C ATOM 535 CD GLN A 177 -5.186 -5.047 -5.513 1.00 0.00 C ATOM 536 OE1 GLN A 177 -4.622 -4.870 -6.593 1.00 0.00 O ATOM 537 NE2 GLN A 177 -6.458 -5.419 -5.423 1.00 0.00 N ATOM 0 H GLN A 177 -1.833 -7.697 -2.925 1.00 0.00 H new ATOM 0 HA GLN A 177 -2.633 -6.530 -5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 177 -4.416 -6.956 -3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 177 -3.549 -6.019 -2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 177 -5.151 -4.512 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 177 -3.712 -4.049 -4.327 1.00 0.00 H new ATOM 0 HE21 GLN A 177 -6.886 -5.555 -4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 177 -7.007 -5.569 -6.270 1.00 0.00 H new ATOM 546 N PHE A 178 -1.382 -4.390 -5.337 1.00 0.00 N ATOM 547 CA PHE A 178 -0.508 -3.223 -5.311 1.00 0.00 C ATOM 548 C PHE A 178 -1.243 -1.983 -5.811 1.00 0.00 C ATOM 549 O PHE A 178 -2.171 -2.082 -6.614 1.00 0.00 O ATOM 550 CB PHE A 178 0.735 -3.472 -6.168 1.00 0.00 C ATOM 551 CG PHE A 178 1.331 -4.839 -5.981 1.00 0.00 C ATOM 552 CD1 PHE A 178 1.655 -5.301 -4.716 1.00 0.00 C ATOM 553 CD2 PHE A 178 1.568 -5.660 -7.072 1.00 0.00 C ATOM 554 CE1 PHE A 178 2.204 -6.557 -4.541 1.00 0.00 C ATOM 555 CE2 PHE A 178 2.116 -6.918 -6.904 1.00 0.00 C ATOM 556 CZ PHE A 178 2.435 -7.367 -5.637 1.00 0.00 C ATOM 0 H PHE A 178 -1.897 -4.513 -6.209 1.00 0.00 H new ATOM 0 HA PHE A 178 -0.202 -3.052 -4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 178 0.475 -3.339 -7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 178 1.488 -2.721 -5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 178 1.476 -4.672 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 178 1.322 -5.313 -8.065 1.00 0.00 H new ATOM 0 HE1 PHE A 178 2.452 -6.905 -3.549 1.00 0.00 H new ATOM 0 HE2 PHE A 178 2.295 -7.549 -7.762 1.00 0.00 H new ATOM 0 HZ PHE A 178 2.864 -8.349 -5.503 1.00 0.00 H new ATOM 566 N ILE A 179 -0.823 -0.815 -5.333 1.00 0.00 N ATOM 567 CA ILE A 179 -1.445 0.440 -5.739 1.00 0.00 C ATOM 568 C ILE A 179 -1.029 0.820 -7.154 1.00 0.00 C ATOM 569 O ILE A 179 0.134 0.674 -7.531 1.00 0.00 O ATOM 570 CB ILE A 179 -1.092 1.587 -4.770 1.00 0.00 C ATOM 571 CG1 ILE A 179 -1.428 1.180 -3.335 1.00 0.00 C ATOM 572 CG2 ILE A 179 -1.837 2.860 -5.151 1.00 0.00 C ATOM 573 CD1 ILE A 179 -0.964 2.179 -2.300 1.00 0.00 C ATOM 0 H ILE A 179 -0.058 -0.712 -4.667 1.00 0.00 H new ATOM 0 HA ILE A 179 -2.524 0.286 -5.713 1.00 0.00 H new ATOM 0 HB ILE A 179 -0.022 1.786 -4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -2.507 1.051 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -0.973 0.212 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -1.575 3.657 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -1.559 3.155 -6.163 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -2.911 2.680 -5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -1.236 1.825 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 179 0.118 2.291 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -1.439 3.142 -2.485 1.00 0.00 H new ATOM 585 N ARG A 180 -1.990 1.296 -7.938 1.00 0.00 N ATOM 586 CA ARG A 180 -1.727 1.680 -9.318 1.00 0.00 C ATOM 587 C ARG A 180 -1.648 3.198 -9.475 1.00 0.00 C ATOM 588 O ARG A 180 -0.895 3.703 -10.307 1.00 0.00 O ATOM 589 CB ARG A 180 -2.810 1.099 -10.235 1.00 0.00 C ATOM 590 CG ARG A 180 -4.140 1.834 -10.170 1.00 0.00 C ATOM 591 CD ARG A 180 -5.047 1.444 -11.326 1.00 0.00 C ATOM 592 NE ARG A 180 -4.446 1.748 -12.623 1.00 0.00 N ATOM 593 CZ ARG A 180 -4.408 2.968 -13.155 1.00 0.00 C ATOM 594 NH1 ARG A 180 -4.924 4.001 -12.500 1.00 0.00 N ATOM 595 NH2 ARG A 180 -3.851 3.155 -14.343 1.00 0.00 N ATOM 0 H ARG A 180 -2.957 1.425 -7.641 1.00 0.00 H new ATOM 0 HA ARG A 180 -0.757 1.273 -9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 180 -2.448 1.116 -11.263 1.00 0.00 H new ATOM 0 HB3 ARG A 180 -2.972 0.054 -9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 180 -4.635 1.610 -9.225 1.00 0.00 H new ATOM 0 HG3 ARG A 180 -3.964 2.910 -10.190 1.00 0.00 H new ATOM 0 HD2 ARG A 180 -5.267 0.378 -11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 180 -5.997 1.971 -11.235 1.00 0.00 H new ATOM 0 HE ARG A 180 -4.031 0.981 -13.152 1.00 0.00 H new ATOM 0 HH11 ARG A 180 -5.352 3.862 -11.585 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -4.892 4.934 -12.912 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -3.452 2.365 -14.849 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -3.822 4.089 -14.751 1.00 0.00 H new ATOM 609 N SER A 181 -2.428 3.922 -8.678 1.00 0.00 N ATOM 610 CA SER A 181 -2.435 5.380 -8.746 1.00 0.00 C ATOM 611 C SER A 181 -2.753 6.000 -7.389 1.00 0.00 C ATOM 612 O SER A 181 -3.399 5.379 -6.545 1.00 0.00 O ATOM 613 CB SER A 181 -3.451 5.855 -9.785 1.00 0.00 C ATOM 614 OG SER A 181 -3.172 7.180 -10.203 1.00 0.00 O ATOM 0 H SER A 181 -3.060 3.526 -7.982 1.00 0.00 H new ATOM 0 HA SER A 181 -1.437 5.704 -9.041 1.00 0.00 H new ATOM 0 HB2 SER A 181 -3.434 5.187 -10.646 1.00 0.00 H new ATOM 0 HB3 SER A 181 -4.455 5.807 -9.364 1.00 0.00 H new ATOM 0 HG SER A 181 -3.835 7.459 -10.869 1.00 0.00 H new ATOM 620 N VAL A 182 -2.292 7.232 -7.190 1.00 0.00 N ATOM 621 CA VAL A 182 -2.522 7.948 -5.941 1.00 0.00 C ATOM 622 C VAL A 182 -2.952 9.387 -6.210 1.00 0.00 C ATOM 623 O VAL A 182 -2.369 10.073 -7.050 1.00 0.00 O ATOM 624 CB VAL A 182 -1.260 7.955 -5.060 1.00 0.00 C ATOM 625 CG1 VAL A 182 -1.552 8.584 -3.706 1.00 0.00 C ATOM 626 CG2 VAL A 182 -0.721 6.542 -4.894 1.00 0.00 C ATOM 0 H VAL A 182 -1.755 7.756 -7.881 1.00 0.00 H new ATOM 0 HA VAL A 182 -3.319 7.425 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.498 8.557 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -0.646 8.579 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.888 9.611 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.331 8.013 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.171 6.564 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -1.479 5.916 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 182 -0.469 6.132 -5.872 1.00 0.00 H new ATOM 636 N ASP A 183 -3.976 9.838 -5.494 1.00 0.00 N ATOM 637 CA ASP A 183 -4.487 11.194 -5.657 1.00 0.00 C ATOM 638 C ASP A 183 -3.681 12.185 -4.818 1.00 0.00 C ATOM 639 O ASP A 183 -3.533 12.007 -3.610 1.00 0.00 O ATOM 640 CB ASP A 183 -5.962 11.251 -5.254 1.00 0.00 C ATOM 641 CG ASP A 183 -6.592 12.602 -5.533 1.00 0.00 C ATOM 642 OD1 ASP A 183 -5.843 13.591 -5.673 1.00 0.00 O ATOM 643 OD2 ASP A 183 -7.837 12.670 -5.612 1.00 0.00 O ATOM 0 H ASP A 183 -4.469 9.284 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 183 -4.389 11.471 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 183 -6.512 10.480 -5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 183 -6.053 11.024 -4.192 1.00 0.00 H new ATOM 648 N PRO A 184 -3.143 13.249 -5.443 1.00 0.00 N ATOM 649 CA PRO A 184 -2.353 14.260 -4.732 1.00 0.00 C ATOM 650 C PRO A 184 -3.176 15.003 -3.683 1.00 0.00 C ATOM 651 O PRO A 184 -4.275 15.481 -3.965 1.00 0.00 O ATOM 652 CB PRO A 184 -1.907 15.227 -5.838 1.00 0.00 C ATOM 653 CG PRO A 184 -2.101 14.482 -7.115 1.00 0.00 C ATOM 654 CD PRO A 184 -3.254 13.552 -6.880 1.00 0.00 C ATOM 0 HA PRO A 184 -1.524 13.810 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 184 -2.499 16.142 -5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 184 -0.865 15.520 -5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 184 -2.312 15.166 -7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 184 -1.202 13.928 -7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 184 -4.208 14.021 -7.122 1.00 0.00 H new ATOM 0 HD3 PRO A 184 -3.178 12.652 -7.490 1.00 0.00 H new ATOM 662 N ASP A 185 -2.632 15.102 -2.473 1.00 0.00 N ATOM 663 CA ASP A 185 -3.306 15.795 -1.375 1.00 0.00 C ATOM 664 C ASP A 185 -4.476 14.981 -0.824 1.00 0.00 C ATOM 665 O ASP A 185 -5.351 15.522 -0.149 1.00 0.00 O ATOM 666 CB ASP A 185 -3.801 17.170 -1.834 1.00 0.00 C ATOM 667 CG ASP A 185 -4.059 18.110 -0.673 1.00 0.00 C ATOM 668 OD1 ASP A 185 -5.129 17.993 -0.040 1.00 0.00 O ATOM 669 OD2 ASP A 185 -3.190 18.964 -0.397 1.00 0.00 O ATOM 0 H ASP A 185 -1.723 14.710 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 185 -2.577 15.921 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -3.062 17.615 -2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -4.718 17.049 -2.410 1.00 0.00 H new ATOM 674 N SER A 186 -4.488 13.680 -1.105 1.00 0.00 N ATOM 675 CA SER A 186 -5.555 12.809 -0.622 1.00 0.00 C ATOM 676 C SER A 186 -5.121 12.076 0.645 1.00 0.00 C ATOM 677 O SER A 186 -3.934 12.032 0.968 1.00 0.00 O ATOM 678 CB SER A 186 -5.952 11.802 -1.702 1.00 0.00 C ATOM 679 OG SER A 186 -6.817 12.394 -2.656 1.00 0.00 O ATOM 0 H SER A 186 -3.775 13.208 -1.661 1.00 0.00 H new ATOM 0 HA SER A 186 -6.420 13.429 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 186 -5.058 11.426 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 186 -6.444 10.945 -1.242 1.00 0.00 H new ATOM 0 HG SER A 186 -7.601 11.821 -2.786 1.00 0.00 H new ATOM 685 N PRO A 187 -6.080 11.493 1.388 1.00 0.00 N ATOM 686 CA PRO A 187 -5.786 10.767 2.627 1.00 0.00 C ATOM 687 C PRO A 187 -4.581 9.841 2.496 1.00 0.00 C ATOM 688 O PRO A 187 -3.761 9.745 3.409 1.00 0.00 O ATOM 689 CB PRO A 187 -7.063 9.963 2.865 1.00 0.00 C ATOM 690 CG PRO A 187 -8.142 10.797 2.267 1.00 0.00 C ATOM 691 CD PRO A 187 -7.526 11.499 1.084 1.00 0.00 C ATOM 0 HA PRO A 187 -5.526 11.440 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 187 -7.010 8.983 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 187 -7.234 9.794 3.928 1.00 0.00 H new ATOM 0 HG2 PRO A 187 -8.985 10.179 1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 187 -8.524 11.517 2.991 1.00 0.00 H new ATOM 0 HD2 PRO A 187 -7.741 10.977 0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 187 -7.909 12.514 0.977 1.00 0.00 H new ATOM 699 N ALA A 188 -4.470 9.168 1.355 1.00 0.00 N ATOM 700 CA ALA A 188 -3.354 8.262 1.116 1.00 0.00 C ATOM 701 C ALA A 188 -2.035 9.027 1.098 1.00 0.00 C ATOM 702 O ALA A 188 -1.039 8.585 1.670 1.00 0.00 O ATOM 703 CB ALA A 188 -3.551 7.511 -0.192 1.00 0.00 C ATOM 0 H ALA A 188 -5.136 9.233 0.585 1.00 0.00 H new ATOM 0 HA ALA A 188 -3.319 7.538 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 188 -2.709 6.839 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 188 -4.473 6.932 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 188 -3.612 8.223 -1.015 1.00 0.00 H new ATOM 709 N GLU A 189 -2.040 10.180 0.438 1.00 0.00 N ATOM 710 CA GLU A 189 -0.847 11.015 0.342 1.00 0.00 C ATOM 711 C GLU A 189 -0.509 11.640 1.690 1.00 0.00 C ATOM 712 O GLU A 189 0.627 11.561 2.158 1.00 0.00 O ATOM 713 CB GLU A 189 -1.057 12.117 -0.696 1.00 0.00 C ATOM 714 CG GLU A 189 0.238 12.718 -1.217 1.00 0.00 C ATOM 715 CD GLU A 189 0.901 11.851 -2.270 1.00 0.00 C ATOM 716 OE1 GLU A 189 0.742 10.614 -2.206 1.00 0.00 O ATOM 717 OE2 GLU A 189 1.578 12.410 -3.158 1.00 0.00 O ATOM 0 H GLU A 189 -2.858 10.559 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 189 -0.015 10.381 0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -1.623 11.711 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -1.664 12.908 -0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 189 0.034 13.702 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 189 0.927 12.864 -0.385 1.00 0.00 H new ATOM 724 N ALA A 190 -1.505 12.268 2.307 1.00 0.00 N ATOM 725 CA ALA A 190 -1.323 12.918 3.602 1.00 0.00 C ATOM 726 C ALA A 190 -0.629 11.995 4.600 1.00 0.00 C ATOM 727 O ALA A 190 0.089 12.454 5.488 1.00 0.00 O ATOM 728 CB ALA A 190 -2.665 13.376 4.152 1.00 0.00 C ATOM 0 H ALA A 190 -2.450 12.341 1.930 1.00 0.00 H new ATOM 0 HA ALA A 190 -0.682 13.787 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.517 13.859 5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -3.120 14.083 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -3.321 12.514 4.274 1.00 0.00 H new ATOM 734 N SER A 191 -0.848 10.694 4.448 1.00 0.00 N ATOM 735 CA SER A 191 -0.243 9.708 5.336 1.00 0.00 C ATOM 736 C SER A 191 1.163 9.340 4.872 1.00 0.00 C ATOM 737 O SER A 191 2.002 8.925 5.671 1.00 0.00 O ATOM 738 CB SER A 191 -1.115 8.453 5.402 1.00 0.00 C ATOM 739 OG SER A 191 -0.643 7.555 6.392 1.00 0.00 O ATOM 0 H SER A 191 -1.440 10.297 3.718 1.00 0.00 H new ATOM 0 HA SER A 191 -0.171 10.149 6.330 1.00 0.00 H new ATOM 0 HB2 SER A 191 -2.145 8.733 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 191 -1.120 7.958 4.431 1.00 0.00 H new ATOM 0 HG SER A 191 -0.946 7.853 7.275 1.00 0.00 H new ATOM 745 N GLY A 192 1.411 9.488 3.575 1.00 0.00 N ATOM 746 CA GLY A 192 2.714 9.161 3.026 1.00 0.00 C ATOM 747 C GLY A 192 2.665 7.946 2.121 1.00 0.00 C ATOM 748 O GLY A 192 3.652 7.225 1.980 1.00 0.00 O ATOM 0 H GLY A 192 0.733 9.829 2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 192 3.095 10.015 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 192 3.414 8.977 3.841 1.00 0.00 H new ATOM 752 N LEU A 193 1.507 7.722 1.509 1.00 0.00 N ATOM 753 CA LEU A 193 1.318 6.589 0.613 1.00 0.00 C ATOM 754 C LEU A 193 1.989 6.844 -0.733 1.00 0.00 C ATOM 755 O LEU A 193 2.097 7.988 -1.176 1.00 0.00 O ATOM 756 CB LEU A 193 -0.177 6.327 0.417 1.00 0.00 C ATOM 757 CG LEU A 193 -0.526 5.111 -0.441 1.00 0.00 C ATOM 758 CD1 LEU A 193 -1.953 4.663 -0.164 1.00 0.00 C ATOM 759 CD2 LEU A 193 -0.342 5.431 -1.919 1.00 0.00 C ATOM 0 H LEU A 193 0.683 8.313 1.618 1.00 0.00 H new ATOM 0 HA LEU A 193 1.781 5.710 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -0.638 6.202 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -0.626 7.211 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 193 0.149 4.296 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -2.189 3.796 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -2.053 4.397 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -2.641 5.475 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -0.595 4.554 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -0.995 6.259 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 193 0.695 5.709 -2.105 1.00 0.00 H new ATOM 771 N ARG A 194 2.438 5.773 -1.380 1.00 0.00 N ATOM 772 CA ARG A 194 3.097 5.887 -2.675 1.00 0.00 C ATOM 773 C ARG A 194 2.565 4.840 -3.647 1.00 0.00 C ATOM 774 O ARG A 194 2.498 3.654 -3.324 1.00 0.00 O ATOM 775 CB ARG A 194 4.610 5.730 -2.517 1.00 0.00 C ATOM 776 CG ARG A 194 5.307 6.992 -2.036 1.00 0.00 C ATOM 777 CD ARG A 194 6.799 6.948 -2.325 1.00 0.00 C ATOM 778 NE ARG A 194 7.393 8.282 -2.351 1.00 0.00 N ATOM 779 CZ ARG A 194 7.705 8.976 -1.260 1.00 0.00 C ATOM 780 NH1 ARG A 194 7.481 8.468 -0.055 1.00 0.00 N ATOM 781 NH2 ARG A 194 8.244 10.183 -1.374 1.00 0.00 N ATOM 0 H ARG A 194 2.357 4.819 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 194 2.882 6.876 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 194 4.811 4.923 -1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 194 5.038 5.431 -3.474 1.00 0.00 H new ATOM 0 HG2 ARG A 194 4.866 7.861 -2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 194 5.146 7.112 -0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 194 7.297 6.345 -1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 194 6.968 6.458 -3.284 1.00 0.00 H new ATOM 0 HE ARG A 194 7.580 8.707 -3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 194 7.067 7.540 0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 194 7.722 9.005 0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 194 8.419 10.578 -2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 194 8.483 10.716 -0.538 1.00 0.00 H new ATOM 795 N ALA A 195 2.185 5.288 -4.840 1.00 0.00 N ATOM 796 CA ALA A 195 1.657 4.391 -5.860 1.00 0.00 C ATOM 797 C ALA A 195 2.655 3.290 -6.194 1.00 0.00 C ATOM 798 O ALA A 195 3.866 3.483 -6.092 1.00 0.00 O ATOM 799 CB ALA A 195 1.293 5.173 -7.112 1.00 0.00 C ATOM 0 H ALA A 195 2.233 6.267 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 195 0.757 3.920 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.900 4.491 -7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 195 0.537 5.919 -6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 195 2.181 5.671 -7.501 1.00 0.00 H new ATOM 805 N GLN A 196 2.134 2.134 -6.596 1.00 0.00 N ATOM 806 CA GLN A 196 2.966 0.987 -6.954 1.00 0.00 C ATOM 807 C GLN A 196 3.576 0.322 -5.720 1.00 0.00 C ATOM 808 O GLN A 196 4.344 -0.631 -5.845 1.00 0.00 O ATOM 809 CB GLN A 196 4.077 1.406 -7.922 1.00 0.00 C ATOM 810 CG GLN A 196 3.578 2.211 -9.110 1.00 0.00 C ATOM 811 CD GLN A 196 4.646 2.409 -10.169 1.00 0.00 C ATOM 812 OE1 GLN A 196 4.988 1.482 -10.903 1.00 0.00 O ATOM 813 NE2 GLN A 196 5.179 3.622 -10.252 1.00 0.00 N ATOM 0 H GLN A 196 1.132 1.965 -6.683 1.00 0.00 H new ATOM 0 HA GLN A 196 2.319 0.260 -7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 196 4.817 1.995 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 196 4.585 0.513 -8.287 1.00 0.00 H new ATOM 0 HG2 GLN A 196 2.721 1.704 -9.554 1.00 0.00 H new ATOM 0 HG3 GLN A 196 3.229 3.184 -8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 196 4.865 4.361 -9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 196 5.902 3.815 -10.945 1.00 0.00 H new ATOM 822 N ASP A 197 3.232 0.813 -4.531 1.00 0.00 N ATOM 823 CA ASP A 197 3.758 0.236 -3.300 1.00 0.00 C ATOM 824 C ASP A 197 3.220 -1.177 -3.107 1.00 0.00 C ATOM 825 O ASP A 197 2.158 -1.521 -3.628 1.00 0.00 O ATOM 826 CB ASP A 197 3.397 1.111 -2.098 1.00 0.00 C ATOM 827 CG ASP A 197 1.899 1.223 -1.885 1.00 0.00 C ATOM 828 OD1 ASP A 197 1.148 0.474 -2.544 1.00 0.00 O ATOM 829 OD2 ASP A 197 1.478 2.060 -1.060 1.00 0.00 O ATOM 0 H ASP A 197 2.598 1.601 -4.396 1.00 0.00 H new ATOM 0 HA ASP A 197 4.844 0.189 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 197 3.858 0.697 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 197 3.815 2.107 -2.240 1.00 0.00 H new ATOM 834 N ARG A 198 3.958 -1.998 -2.370 1.00 0.00 N ATOM 835 CA ARG A 198 3.545 -3.378 -2.131 1.00 0.00 C ATOM 836 C ARG A 198 2.680 -3.493 -0.878 1.00 0.00 C ATOM 837 O ARG A 198 3.168 -3.336 0.240 1.00 0.00 O ATOM 838 CB ARG A 198 4.770 -4.284 -2.005 1.00 0.00 C ATOM 839 CG ARG A 198 5.647 -4.298 -3.246 1.00 0.00 C ATOM 840 CD ARG A 198 5.069 -5.198 -4.327 1.00 0.00 C ATOM 841 NE ARG A 198 5.977 -5.342 -5.462 1.00 0.00 N ATOM 842 CZ ARG A 198 7.119 -6.024 -5.417 1.00 0.00 C ATOM 843 NH1 ARG A 198 7.494 -6.629 -4.296 1.00 0.00 N ATOM 844 NH2 ARG A 198 7.887 -6.103 -6.494 1.00 0.00 N ATOM 0 H ARG A 198 4.840 -1.736 -1.930 1.00 0.00 H new ATOM 0 HA ARG A 198 2.947 -3.698 -2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 198 5.366 -3.958 -1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 198 4.439 -5.301 -1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 198 5.749 -3.284 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 198 6.647 -4.641 -2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 198 4.857 -6.181 -3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 198 4.120 -4.787 -4.672 1.00 0.00 H new ATOM 0 HE ARG A 198 5.721 -4.893 -6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 198 6.906 -6.572 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 198 8.370 -7.151 -4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 198 7.603 -5.641 -7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 198 8.762 -6.626 -6.459 1.00 0.00 H new ATOM 858 N ILE A 199 1.395 -3.777 -1.077 1.00 0.00 N ATOM 859 CA ILE A 199 0.459 -3.924 0.034 1.00 0.00 C ATOM 860 C ILE A 199 0.866 -5.081 0.940 1.00 0.00 C ATOM 861 O ILE A 199 1.013 -6.216 0.487 1.00 0.00 O ATOM 862 CB ILE A 199 -0.981 -4.158 -0.468 1.00 0.00 C ATOM 863 CG1 ILE A 199 -1.394 -3.055 -1.446 1.00 0.00 C ATOM 864 CG2 ILE A 199 -1.951 -4.225 0.705 1.00 0.00 C ATOM 865 CD1 ILE A 199 -1.567 -1.699 -0.797 1.00 0.00 C ATOM 0 H ILE A 199 0.978 -3.910 -1.998 1.00 0.00 H new ATOM 0 HA ILE A 199 0.488 -2.993 0.600 1.00 0.00 H new ATOM 0 HB ILE A 199 -1.012 -5.112 -0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 199 -0.642 -2.978 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 199 -2.330 -3.340 -1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 199 -2.962 -4.390 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 199 -1.668 -5.046 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 199 -1.918 -3.287 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 199 -1.860 -0.969 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 199 -2.340 -1.758 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 199 -0.626 -1.391 -0.340 1.00 0.00 H new ATOM 877 N VAL A 200 1.048 -4.783 2.221 1.00 0.00 N ATOM 878 CA VAL A 200 1.441 -5.794 3.195 1.00 0.00 C ATOM 879 C VAL A 200 0.275 -6.182 4.097 1.00 0.00 C ATOM 880 O VAL A 200 0.036 -7.365 4.340 1.00 0.00 O ATOM 881 CB VAL A 200 2.609 -5.303 4.072 1.00 0.00 C ATOM 882 CG1 VAL A 200 3.145 -6.436 4.933 1.00 0.00 C ATOM 883 CG2 VAL A 200 3.712 -4.711 3.209 1.00 0.00 C ATOM 0 H VAL A 200 0.929 -3.848 2.610 1.00 0.00 H new ATOM 0 HA VAL A 200 1.760 -6.668 2.627 1.00 0.00 H new ATOM 0 HB VAL A 200 2.238 -4.521 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 200 3.969 -6.069 5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 200 2.351 -6.809 5.580 1.00 0.00 H new ATOM 0 HG13 VAL A 200 3.500 -7.243 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 200 4.528 -4.370 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 200 4.082 -5.470 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 200 3.317 -3.868 2.642 1.00 0.00 H new ATOM 893 N GLU A 201 -0.448 -5.184 4.598 1.00 0.00 N ATOM 894 CA GLU A 201 -1.585 -5.438 5.478 1.00 0.00 C ATOM 895 C GLU A 201 -2.717 -4.448 5.223 1.00 0.00 C ATOM 896 O GLU A 201 -2.572 -3.504 4.444 1.00 0.00 O ATOM 897 CB GLU A 201 -1.149 -5.374 6.946 1.00 0.00 C ATOM 898 CG GLU A 201 -1.030 -3.962 7.499 1.00 0.00 C ATOM 899 CD GLU A 201 -0.159 -3.891 8.739 1.00 0.00 C ATOM 900 OE1 GLU A 201 0.725 -4.760 8.893 1.00 0.00 O ATOM 901 OE2 GLU A 201 -0.362 -2.968 9.555 1.00 0.00 O ATOM 0 H GLU A 201 -0.268 -4.197 4.411 1.00 0.00 H new ATOM 0 HA GLU A 201 -1.957 -6.439 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -1.865 -5.930 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -0.187 -5.875 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -0.616 -3.309 6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -2.024 -3.584 7.736 1.00 0.00 H new ATOM 908 N VAL A 202 -3.842 -4.674 5.892 1.00 0.00 N ATOM 909 CA VAL A 202 -5.009 -3.814 5.753 1.00 0.00 C ATOM 910 C VAL A 202 -5.864 -3.843 7.017 1.00 0.00 C ATOM 911 O VAL A 202 -6.563 -4.820 7.283 1.00 0.00 O ATOM 912 CB VAL A 202 -5.876 -4.237 4.551 1.00 0.00 C ATOM 913 CG1 VAL A 202 -7.025 -3.262 4.345 1.00 0.00 C ATOM 914 CG2 VAL A 202 -5.028 -4.347 3.293 1.00 0.00 C ATOM 0 H VAL A 202 -3.970 -5.451 6.540 1.00 0.00 H new ATOM 0 HA VAL A 202 -4.641 -2.801 5.588 1.00 0.00 H new ATOM 0 HB VAL A 202 -6.300 -5.218 4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 202 -7.624 -3.580 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 202 -7.649 -3.241 5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 202 -6.627 -2.265 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 202 -5.657 -4.647 2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 202 -4.571 -3.381 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 202 -4.247 -5.092 3.445 1.00 0.00 H new ATOM 924 N ASN A 203 -5.807 -2.764 7.791 1.00 0.00 N ATOM 925 CA ASN A 203 -6.579 -2.663 9.026 1.00 0.00 C ATOM 926 C ASN A 203 -6.039 -3.602 10.101 1.00 0.00 C ATOM 927 O ASN A 203 -6.770 -4.011 11.003 1.00 0.00 O ATOM 928 CB ASN A 203 -8.056 -2.968 8.763 1.00 0.00 C ATOM 929 CG ASN A 203 -8.962 -2.423 9.850 1.00 0.00 C ATOM 930 OD1 ASN A 203 -9.055 -1.211 10.047 1.00 0.00 O ATOM 931 ND2 ASN A 203 -9.637 -3.318 10.562 1.00 0.00 N ATOM 0 H ASN A 203 -5.234 -1.946 7.585 1.00 0.00 H new ATOM 0 HA ASN A 203 -6.484 -1.640 9.389 1.00 0.00 H new ATOM 0 HB2 ASN A 203 -8.347 -2.541 7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 203 -8.193 -4.047 8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 203 -10.263 -3.011 11.306 1.00 0.00 H new ATOM 0 HD22 ASN A 203 -9.530 -4.313 10.364 1.00 0.00 H new ATOM 938 N GLY A 204 -4.753 -3.930 10.012 1.00 0.00 N ATOM 939 CA GLY A 204 -4.144 -4.805 10.999 1.00 0.00 C ATOM 940 C GLY A 204 -3.883 -6.207 10.481 1.00 0.00 C ATOM 941 O GLY A 204 -3.054 -6.930 11.035 1.00 0.00 O ATOM 0 H GLY A 204 -4.124 -3.607 9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -3.203 -4.367 11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -4.794 -4.863 11.872 1.00 0.00 H new ATOM 945 N VAL A 205 -4.587 -6.602 9.425 1.00 0.00 N ATOM 946 CA VAL A 205 -4.410 -7.935 8.857 1.00 0.00 C ATOM 947 C VAL A 205 -3.195 -7.986 7.935 1.00 0.00 C ATOM 948 O VAL A 205 -3.270 -7.608 6.766 1.00 0.00 O ATOM 949 CB VAL A 205 -5.662 -8.397 8.082 1.00 0.00 C ATOM 950 CG1 VAL A 205 -6.856 -8.520 9.018 1.00 0.00 C ATOM 951 CG2 VAL A 205 -5.970 -7.447 6.933 1.00 0.00 C ATOM 0 H VAL A 205 -5.280 -6.024 8.948 1.00 0.00 H new ATOM 0 HA VAL A 205 -4.251 -8.613 9.695 1.00 0.00 H new ATOM 0 HB VAL A 205 -5.457 -9.380 7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -7.729 -8.847 8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -6.634 -9.249 9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -7.061 -7.552 9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -6.856 -7.794 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -6.151 -6.447 7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -5.124 -7.419 6.247 1.00 0.00 H new ATOM 961 N CYS A 206 -2.071 -8.453 8.475 1.00 0.00 N ATOM 962 CA CYS A 206 -0.834 -8.552 7.707 1.00 0.00 C ATOM 963 C CYS A 206 -0.747 -9.885 6.974 1.00 0.00 C ATOM 964 O CYS A 206 -0.362 -10.901 7.554 1.00 0.00 O ATOM 965 CB CYS A 206 0.376 -8.384 8.628 1.00 0.00 C ATOM 966 SG CYS A 206 1.966 -8.392 7.766 1.00 0.00 S ATOM 0 H CYS A 206 -1.993 -8.769 9.442 1.00 0.00 H new ATOM 0 HA CYS A 206 -0.834 -7.753 6.965 1.00 0.00 H new ATOM 0 HB2 CYS A 206 0.276 -7.446 9.175 1.00 0.00 H new ATOM 0 HB3 CYS A 206 0.371 -9.186 9.367 1.00 0.00 H new ATOM 0 HG CYS A 206 2.928 -8.242 8.628 1.00 0.00 H new ATOM 972 N MET A 207 -1.103 -9.872 5.695 1.00 0.00 N ATOM 973 CA MET A 207 -1.063 -11.079 4.877 1.00 0.00 C ATOM 974 C MET A 207 -0.326 -10.824 3.565 1.00 0.00 C ATOM 975 O MET A 207 -0.892 -10.273 2.620 1.00 0.00 O ATOM 976 CB MET A 207 -2.481 -11.575 4.593 1.00 0.00 C ATOM 977 CG MET A 207 -3.111 -12.320 5.759 1.00 0.00 C ATOM 978 SD MET A 207 -2.527 -14.021 5.893 1.00 0.00 S ATOM 979 CE MET A 207 -2.034 -14.076 7.614 1.00 0.00 C ATOM 0 H MET A 207 -1.423 -9.039 5.201 1.00 0.00 H new ATOM 0 HA MET A 207 -0.523 -11.846 5.432 1.00 0.00 H new ATOM 0 HB2 MET A 207 -3.110 -10.723 4.335 1.00 0.00 H new ATOM 0 HB3 MET A 207 -2.460 -12.231 3.723 1.00 0.00 H new ATOM 0 HG2 MET A 207 -2.890 -11.790 6.686 1.00 0.00 H new ATOM 0 HG3 MET A 207 -4.195 -12.320 5.642 1.00 0.00 H new ATOM 0 HE1 MET A 207 -1.650 -15.068 7.851 1.00 0.00 H new ATOM 0 HE2 MET A 207 -1.257 -13.333 7.794 1.00 0.00 H new ATOM 0 HE3 MET A 207 -2.895 -13.860 8.246 1.00 0.00 H new ATOM 989 N GLU A 208 0.938 -11.230 3.513 1.00 0.00 N ATOM 990 CA GLU A 208 1.748 -11.045 2.315 1.00 0.00 C ATOM 991 C GLU A 208 1.248 -11.931 1.180 1.00 0.00 C ATOM 992 O GLU A 208 1.518 -13.132 1.152 1.00 0.00 O ATOM 993 CB GLU A 208 3.216 -11.353 2.611 1.00 0.00 C ATOM 994 CG GLU A 208 4.135 -11.122 1.423 1.00 0.00 C ATOM 995 CD GLU A 208 5.586 -10.953 1.830 1.00 0.00 C ATOM 996 OE1 GLU A 208 5.985 -9.812 2.145 1.00 0.00 O ATOM 997 OE2 GLU A 208 6.323 -11.961 1.834 1.00 0.00 O ATOM 0 H GLU A 208 1.423 -11.688 4.285 1.00 0.00 H new ATOM 0 HA GLU A 208 1.660 -10.004 2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.548 -10.733 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.304 -12.391 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 208 4.051 -11.963 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 208 3.808 -10.234 0.883 1.00 0.00 H new ATOM 1004 N GLY A 209 0.519 -11.331 0.247 1.00 0.00 N ATOM 1005 CA GLY A 209 -0.008 -12.079 -0.879 1.00 0.00 C ATOM 1006 C GLY A 209 -1.521 -12.172 -0.858 1.00 0.00 C ATOM 1007 O GLY A 209 -2.100 -13.104 -1.416 1.00 0.00 O ATOM 0 H GLY A 209 0.283 -10.339 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 209 0.311 -11.605 -1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 209 0.415 -13.084 -0.873 1.00 0.00 H new ATOM 1011 N LYS A 210 -2.165 -11.204 -0.211 1.00 0.00 N ATOM 1012 CA LYS A 210 -3.622 -11.182 -0.120 1.00 0.00 C ATOM 1013 C LYS A 210 -4.262 -11.244 -1.505 1.00 0.00 C ATOM 1014 O LYS A 210 -3.600 -11.014 -2.517 1.00 0.00 O ATOM 1015 CB LYS A 210 -4.088 -9.923 0.612 1.00 0.00 C ATOM 1016 CG LYS A 210 -3.981 -10.025 2.125 1.00 0.00 C ATOM 1017 CD LYS A 210 -5.148 -10.800 2.716 1.00 0.00 C ATOM 1018 CE LYS A 210 -4.861 -12.293 2.766 1.00 0.00 C ATOM 1019 NZ LYS A 210 -5.839 -13.074 1.960 1.00 0.00 N ATOM 0 H LYS A 210 -1.701 -10.425 0.257 1.00 0.00 H new ATOM 0 HA LYS A 210 -3.936 -12.062 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 210 -3.496 -9.074 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 210 -5.124 -9.718 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 210 -3.045 -10.515 2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 210 -3.951 -9.025 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 210 -5.356 -10.435 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 210 -6.043 -10.621 2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 210 -3.853 -12.481 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 210 -4.889 -12.634 3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 -5.640 -14.090 2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 -6.803 -12.875 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 -5.759 -12.803 0.959 1.00 0.00 H new ATOM 1033 N GLN A 211 -5.553 -11.559 -1.540 1.00 0.00 N ATOM 1034 CA GLN A 211 -6.286 -11.657 -2.798 1.00 0.00 C ATOM 1035 C GLN A 211 -7.093 -10.389 -3.062 1.00 0.00 C ATOM 1036 O GLN A 211 -7.374 -9.618 -2.145 1.00 0.00 O ATOM 1037 CB GLN A 211 -7.217 -12.870 -2.776 1.00 0.00 C ATOM 1038 CG GLN A 211 -6.519 -14.165 -2.395 1.00 0.00 C ATOM 1039 CD GLN A 211 -5.646 -14.706 -3.510 1.00 0.00 C ATOM 1040 OE1 GLN A 211 -6.094 -15.503 -4.335 1.00 0.00 O ATOM 1041 NE2 GLN A 211 -4.390 -14.275 -3.540 1.00 0.00 N ATOM 0 H GLN A 211 -6.114 -11.751 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 211 -5.560 -11.777 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -8.027 -12.683 -2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -7.671 -12.987 -3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -5.907 -13.997 -1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -7.267 -14.912 -2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.061 -13.614 -2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -3.755 -14.605 -4.267 1.00 0.00 H new ATOM 1050 N HIS A 212 -7.464 -10.182 -4.324 1.00 0.00 N ATOM 1051 CA HIS A 212 -8.241 -9.009 -4.717 1.00 0.00 C ATOM 1052 C HIS A 212 -9.443 -8.811 -3.797 1.00 0.00 C ATOM 1053 O HIS A 212 -9.544 -7.801 -3.102 1.00 0.00 O ATOM 1054 CB HIS A 212 -8.710 -9.145 -6.167 1.00 0.00 C ATOM 1055 CG HIS A 212 -9.085 -7.841 -6.799 1.00 0.00 C ATOM 1056 ND1 HIS A 212 -8.202 -7.080 -7.537 1.00 0.00 N ATOM 1057 CD2 HIS A 212 -10.257 -7.162 -6.803 1.00 0.00 C ATOM 1058 CE1 HIS A 212 -8.815 -5.990 -7.966 1.00 0.00 C ATOM 1059 NE2 HIS A 212 -10.062 -6.017 -7.534 1.00 0.00 N ATOM 0 H HIS A 212 -7.238 -10.813 -5.093 1.00 0.00 H new ATOM 0 HA HIS A 212 -7.596 -8.135 -4.630 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -7.918 -9.610 -6.754 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -9.568 -9.816 -6.201 1.00 0.00 H new ATOM 0 HD2 HIS A 212 -11.174 -7.465 -6.321 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -8.371 -5.210 -8.567 1.00 0.00 H new ATOM 0 HE2 HIS A 212 -10.767 -5.302 -7.714 1.00 0.00 H new ATOM 1068 N GLY A 213 -10.350 -9.784 -3.794 1.00 0.00 N ATOM 1069 CA GLY A 213 -11.527 -9.697 -2.949 1.00 0.00 C ATOM 1070 C GLY A 213 -11.167 -9.499 -1.492 1.00 0.00 C ATOM 1071 O GLY A 213 -11.888 -8.833 -0.749 1.00 0.00 O ATOM 0 H GLY A 213 -10.291 -10.630 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -12.153 -8.869 -3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -12.118 -10.607 -3.056 1.00 0.00 H new ATOM 1075 N ASP A 214 -10.039 -10.072 -1.087 1.00 0.00 N ATOM 1076 CA ASP A 214 -9.571 -9.950 0.287 1.00 0.00 C ATOM 1077 C ASP A 214 -9.149 -8.515 0.572 1.00 0.00 C ATOM 1078 O ASP A 214 -9.500 -7.947 1.607 1.00 0.00 O ATOM 1079 CB ASP A 214 -8.402 -10.902 0.537 1.00 0.00 C ATOM 1080 CG ASP A 214 -8.858 -12.325 0.793 1.00 0.00 C ATOM 1081 OD1 ASP A 214 -9.460 -12.929 -0.120 1.00 0.00 O ATOM 1082 OD2 ASP A 214 -8.615 -12.835 1.907 1.00 0.00 O ATOM 0 H ASP A 214 -9.432 -10.626 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 214 -10.387 -10.217 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 214 -7.735 -10.887 -0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 214 -7.826 -10.549 1.392 1.00 0.00 H new ATOM 1087 N VAL A 215 -8.406 -7.931 -0.362 1.00 0.00 N ATOM 1088 CA VAL A 215 -7.950 -6.556 -0.221 1.00 0.00 C ATOM 1089 C VAL A 215 -9.122 -5.597 -0.369 1.00 0.00 C ATOM 1090 O VAL A 215 -9.228 -4.610 0.358 1.00 0.00 O ATOM 1091 CB VAL A 215 -6.875 -6.205 -1.266 1.00 0.00 C ATOM 1092 CG1 VAL A 215 -6.297 -4.822 -1.000 1.00 0.00 C ATOM 1093 CG2 VAL A 215 -5.777 -7.260 -1.277 1.00 0.00 C ATOM 0 H VAL A 215 -8.108 -8.389 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 215 -7.512 -6.458 0.772 1.00 0.00 H new ATOM 0 HB VAL A 215 -7.343 -6.191 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 215 -5.539 -4.594 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 215 -7.093 -4.079 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 215 -5.844 -4.801 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 215 -5.026 -6.996 -2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 215 -5.311 -7.310 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 215 -6.207 -8.230 -1.524 1.00 0.00 H new ATOM 1103 N VAL A 216 -10.008 -5.905 -1.310 1.00 0.00 N ATOM 1104 CA VAL A 216 -11.184 -5.082 -1.549 1.00 0.00 C ATOM 1105 C VAL A 216 -12.094 -5.092 -0.328 1.00 0.00 C ATOM 1106 O VAL A 216 -12.615 -4.054 0.082 1.00 0.00 O ATOM 1107 CB VAL A 216 -11.976 -5.574 -2.777 1.00 0.00 C ATOM 1108 CG1 VAL A 216 -13.146 -4.646 -3.069 1.00 0.00 C ATOM 1109 CG2 VAL A 216 -11.064 -5.690 -3.989 1.00 0.00 C ATOM 0 H VAL A 216 -9.932 -6.720 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 216 -10.839 -4.066 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 216 -12.375 -6.563 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 216 -13.692 -5.011 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 216 -13.813 -4.619 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 216 -12.773 -3.642 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 216 -11.640 -6.039 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 216 -10.632 -4.715 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 216 -10.265 -6.400 -3.776 1.00 0.00 H new ATOM 1119 N SER A 217 -12.273 -6.273 0.256 1.00 0.00 N ATOM 1120 CA SER A 217 -13.112 -6.419 1.439 1.00 0.00 C ATOM 1121 C SER A 217 -12.433 -5.802 2.657 1.00 0.00 C ATOM 1122 O SER A 217 -13.084 -5.172 3.491 1.00 0.00 O ATOM 1123 CB SER A 217 -13.414 -7.894 1.703 1.00 0.00 C ATOM 1124 OG SER A 217 -14.276 -8.425 0.712 1.00 0.00 O ATOM 0 H SER A 217 -11.849 -7.141 -0.071 1.00 0.00 H new ATOM 0 HA SER A 217 -14.050 -5.895 1.257 1.00 0.00 H new ATOM 0 HB2 SER A 217 -12.483 -8.461 1.721 1.00 0.00 H new ATOM 0 HB3 SER A 217 -13.873 -8.004 2.685 1.00 0.00 H new ATOM 0 HG SER A 217 -13.747 -8.714 -0.061 1.00 0.00 H new ATOM 1130 N ALA A 218 -11.119 -5.984 2.751 1.00 0.00 N ATOM 1131 CA ALA A 218 -10.349 -5.441 3.864 1.00 0.00 C ATOM 1132 C ALA A 218 -10.510 -3.928 3.948 1.00 0.00 C ATOM 1133 O ALA A 218 -10.777 -3.380 5.018 1.00 0.00 O ATOM 1134 CB ALA A 218 -8.880 -5.812 3.721 1.00 0.00 C ATOM 0 H ALA A 218 -10.566 -6.503 2.069 1.00 0.00 H new ATOM 0 HA ALA A 218 -10.731 -5.875 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 218 -8.317 -5.400 4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 218 -8.778 -6.897 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 218 -8.491 -5.405 2.788 1.00 0.00 H new ATOM 1140 N ILE A 219 -10.355 -3.259 2.810 1.00 0.00 N ATOM 1141 CA ILE A 219 -10.493 -1.810 2.752 1.00 0.00 C ATOM 1142 C ILE A 219 -11.904 -1.389 3.150 1.00 0.00 C ATOM 1143 O ILE A 219 -12.107 -0.319 3.723 1.00 0.00 O ATOM 1144 CB ILE A 219 -10.175 -1.274 1.339 1.00 0.00 C ATOM 1145 CG1 ILE A 219 -8.727 -1.598 0.963 1.00 0.00 C ATOM 1146 CG2 ILE A 219 -10.423 0.227 1.260 1.00 0.00 C ATOM 1147 CD1 ILE A 219 -7.703 -0.845 1.784 1.00 0.00 C ATOM 0 H ILE A 219 -10.134 -3.698 1.916 1.00 0.00 H new ATOM 0 HA ILE A 219 -9.778 -1.384 3.456 1.00 0.00 H new ATOM 0 HB ILE A 219 -10.840 -1.765 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -8.560 -2.668 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -8.575 -1.368 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -10.192 0.582 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -11.469 0.435 1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -9.786 0.739 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -6.700 -1.126 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -7.842 0.227 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -7.828 -1.093 2.838 1.00 0.00 H new ATOM 1159 N ARG A 220 -12.876 -2.243 2.846 1.00 0.00 N ATOM 1160 CA ARG A 220 -14.269 -1.967 3.174 1.00 0.00 C ATOM 1161 C ARG A 220 -14.511 -2.118 4.673 1.00 0.00 C ATOM 1162 O ARG A 220 -15.265 -1.350 5.271 1.00 0.00 O ATOM 1163 CB ARG A 220 -15.192 -2.909 2.398 1.00 0.00 C ATOM 1164 CG ARG A 220 -16.666 -2.568 2.534 1.00 0.00 C ATOM 1165 CD ARG A 220 -17.503 -3.297 1.495 1.00 0.00 C ATOM 1166 NE ARG A 220 -17.241 -4.734 1.491 1.00 0.00 N ATOM 1167 CZ ARG A 220 -17.693 -5.568 0.557 1.00 0.00 C ATOM 1168 NH1 ARG A 220 -18.433 -5.112 -0.447 1.00 0.00 N ATOM 1169 NH2 ARG A 220 -17.406 -6.860 0.626 1.00 0.00 N ATOM 0 H ARG A 220 -12.724 -3.133 2.372 1.00 0.00 H new ATOM 0 HA ARG A 220 -14.490 -0.938 2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 220 -14.918 -2.884 1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 220 -15.031 -3.929 2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 220 -17.012 -2.834 3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 220 -16.804 -1.492 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 220 -18.560 -3.122 1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 220 -17.292 -2.887 0.507 1.00 0.00 H new ATOM 0 HE ARG A 220 -16.678 -5.121 2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 220 -18.657 -4.119 -0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 220 -18.777 -5.755 -1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 220 -16.838 -7.216 1.395 1.00 0.00 H new ATOM 0 HH22 ARG A 220 -17.753 -7.498 -0.090 1.00 0.00 H new ATOM 1183 N ALA A 221 -13.865 -3.113 5.272 1.00 0.00 N ATOM 1184 CA ALA A 221 -14.007 -3.369 6.701 1.00 0.00 C ATOM 1185 C ALA A 221 -13.050 -2.507 7.527 1.00 0.00 C ATOM 1186 O ALA A 221 -12.960 -2.664 8.744 1.00 0.00 O ATOM 1187 CB ALA A 221 -13.775 -4.844 6.995 1.00 0.00 C ATOM 0 H ALA A 221 -13.237 -3.756 4.789 1.00 0.00 H new ATOM 0 HA ALA A 221 -15.024 -3.101 6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -13.884 -5.023 8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -14.505 -5.443 6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -12.770 -5.124 6.680 1.00 0.00 H new ATOM 1193 N GLY A 222 -12.334 -1.602 6.862 1.00 0.00 N ATOM 1194 CA GLY A 222 -11.395 -0.741 7.561 1.00 0.00 C ATOM 1195 C GLY A 222 -12.056 0.465 8.209 1.00 0.00 C ATOM 1196 O GLY A 222 -11.370 1.366 8.692 1.00 0.00 O ATOM 0 H GLY A 222 -12.387 -1.450 5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -10.881 -1.321 8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -10.635 -0.397 6.859 1.00 0.00 H new ATOM 1200 N GLY A 223 -13.387 0.485 8.226 1.00 0.00 N ATOM 1201 CA GLY A 223 -14.107 1.596 8.826 1.00 0.00 C ATOM 1202 C GLY A 223 -13.628 2.949 8.333 1.00 0.00 C ATOM 1203 O GLY A 223 -13.359 3.125 7.145 1.00 0.00 O ATOM 0 H GLY A 223 -13.979 -0.248 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -15.170 1.492 8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -13.997 1.550 9.909 1.00 0.00 H new ATOM 1207 N ASP A 224 -13.527 3.908 9.249 1.00 0.00 N ATOM 1208 CA ASP A 224 -13.084 5.255 8.903 1.00 0.00 C ATOM 1209 C ASP A 224 -11.561 5.337 8.838 1.00 0.00 C ATOM 1210 O ASP A 224 -11.007 6.192 8.146 1.00 0.00 O ATOM 1211 CB ASP A 224 -13.615 6.265 9.921 1.00 0.00 C ATOM 1212 CG ASP A 224 -15.129 6.257 10.008 1.00 0.00 C ATOM 1213 OD1 ASP A 224 -15.707 5.165 10.192 1.00 0.00 O ATOM 1214 OD2 ASP A 224 -15.736 7.342 9.893 1.00 0.00 O ATOM 0 H ASP A 224 -13.746 3.777 10.237 1.00 0.00 H new ATOM 0 HA ASP A 224 -13.482 5.494 7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 224 -13.196 6.042 10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 224 -13.275 7.264 9.649 1.00 0.00 H new ATOM 1219 N GLU A 225 -10.888 4.446 9.559 1.00 0.00 N ATOM 1220 CA GLU A 225 -9.429 4.424 9.578 1.00 0.00 C ATOM 1221 C GLU A 225 -8.900 3.125 8.982 1.00 0.00 C ATOM 1222 O GLU A 225 -9.126 2.044 9.526 1.00 0.00 O ATOM 1223 CB GLU A 225 -8.914 4.590 11.009 1.00 0.00 C ATOM 1224 CG GLU A 225 -7.468 5.054 11.083 1.00 0.00 C ATOM 1225 CD GLU A 225 -7.065 5.483 12.480 1.00 0.00 C ATOM 1226 OE1 GLU A 225 -7.233 4.679 13.420 1.00 0.00 O ATOM 1227 OE2 GLU A 225 -6.580 6.624 12.634 1.00 0.00 O ATOM 0 H GLU A 225 -11.329 3.730 10.137 1.00 0.00 H new ATOM 0 HA GLU A 225 -9.069 5.255 8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 225 -9.545 5.308 11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 225 -9.010 3.639 11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 225 -6.814 4.247 10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 225 -7.322 5.886 10.395 1.00 0.00 H new ATOM 1234 N THR A 226 -8.198 3.236 7.859 1.00 0.00 N ATOM 1235 CA THR A 226 -7.643 2.066 7.189 1.00 0.00 C ATOM 1236 C THR A 226 -6.128 1.996 7.359 1.00 0.00 C ATOM 1237 O THR A 226 -5.381 2.660 6.640 1.00 0.00 O ATOM 1238 CB THR A 226 -7.998 2.088 5.702 1.00 0.00 C ATOM 1239 OG1 THR A 226 -9.340 2.500 5.513 1.00 0.00 O ATOM 1240 CG2 THR A 226 -7.830 0.744 5.027 1.00 0.00 C ATOM 0 H THR A 226 -8.000 4.122 7.395 1.00 0.00 H new ATOM 0 HA THR A 226 -8.079 1.180 7.650 1.00 0.00 H new ATOM 0 HB THR A 226 -7.301 2.793 5.249 1.00 0.00 H new ATOM 0 HG1 THR A 226 -9.548 2.509 4.555 1.00 0.00 H new ATOM 0 HG21 THR A 226 -8.098 0.830 3.974 1.00 0.00 H new ATOM 0 HG22 THR A 226 -6.792 0.421 5.112 1.00 0.00 H new ATOM 0 HG23 THR A 226 -8.478 0.012 5.508 1.00 0.00 H new ATOM 1248 N LYS A 227 -5.680 1.177 8.307 1.00 0.00 N ATOM 1249 CA LYS A 227 -4.254 1.010 8.562 1.00 0.00 C ATOM 1250 C LYS A 227 -3.628 0.129 7.487 1.00 0.00 C ATOM 1251 O LYS A 227 -3.724 -1.097 7.542 1.00 0.00 O ATOM 1252 CB LYS A 227 -4.025 0.392 9.943 1.00 0.00 C ATOM 1253 CG LYS A 227 -4.957 0.935 11.014 1.00 0.00 C ATOM 1254 CD LYS A 227 -4.405 0.693 12.410 1.00 0.00 C ATOM 1255 CE LYS A 227 -4.625 1.897 13.311 1.00 0.00 C ATOM 1256 NZ LYS A 227 -4.383 1.572 14.744 1.00 0.00 N ATOM 0 H LYS A 227 -6.284 0.619 8.910 1.00 0.00 H new ATOM 0 HA LYS A 227 -3.781 1.992 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -4.154 -0.688 9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -2.993 0.571 10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -5.105 2.004 10.861 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -5.934 0.461 10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -4.886 -0.182 12.846 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -3.339 0.473 12.348 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -3.961 2.705 13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -5.646 2.260 13.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -4.544 2.420 15.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -5.034 0.819 15.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -3.402 1.250 14.866 1.00 0.00 H new ATOM 1270 N LEU A 228 -3.002 0.762 6.502 1.00 0.00 N ATOM 1271 CA LEU A 228 -2.379 0.033 5.404 1.00 0.00 C ATOM 1272 C LEU A 228 -0.857 0.056 5.503 1.00 0.00 C ATOM 1273 O LEU A 228 -0.245 1.118 5.613 1.00 0.00 O ATOM 1274 CB LEU A 228 -2.816 0.629 4.064 1.00 0.00 C ATOM 1275 CG LEU A 228 -4.295 0.444 3.722 1.00 0.00 C ATOM 1276 CD1 LEU A 228 -4.729 1.455 2.672 1.00 0.00 C ATOM 1277 CD2 LEU A 228 -4.554 -0.974 3.236 1.00 0.00 C ATOM 0 H LEU A 228 -2.912 1.776 6.441 1.00 0.00 H new ATOM 0 HA LEU A 228 -2.706 -1.005 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -2.591 1.695 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -2.217 0.180 3.272 1.00 0.00 H new ATOM 0 HG LEU A 228 -4.882 0.612 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -5.784 1.309 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -4.578 2.464 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -4.137 1.317 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -5.611 -1.089 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -3.957 -1.168 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -4.280 -1.682 4.018 1.00 0.00 H new ATOM 1289 N LEU A 229 -0.255 -1.127 5.436 1.00 0.00 N ATOM 1290 CA LEU A 229 1.197 -1.256 5.488 1.00 0.00 C ATOM 1291 C LEU A 229 1.720 -1.625 4.107 1.00 0.00 C ATOM 1292 O LEU A 229 1.490 -2.734 3.629 1.00 0.00 O ATOM 1293 CB LEU A 229 1.602 -2.327 6.505 1.00 0.00 C ATOM 1294 CG LEU A 229 3.102 -2.423 6.792 1.00 0.00 C ATOM 1295 CD1 LEU A 229 3.530 -1.343 7.775 1.00 0.00 C ATOM 1296 CD2 LEU A 229 3.452 -3.805 7.325 1.00 0.00 C ATOM 0 H LEU A 229 -0.752 -2.013 5.345 1.00 0.00 H new ATOM 0 HA LEU A 229 1.629 -0.305 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 229 1.082 -2.130 7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 229 1.255 -3.296 6.145 1.00 0.00 H new ATOM 0 HG LEU A 229 3.643 -2.267 5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 229 4.600 -1.428 7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 229 3.314 -0.361 7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 229 2.984 -1.465 8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 229 4.522 -3.858 7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 229 2.902 -3.989 8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 229 3.183 -4.559 6.585 1.00 0.00 H new ATOM 1308 N VAL A 230 2.403 -0.691 3.457 1.00 0.00 N ATOM 1309 CA VAL A 230 2.924 -0.938 2.118 1.00 0.00 C ATOM 1310 C VAL A 230 4.429 -0.723 2.038 1.00 0.00 C ATOM 1311 O VAL A 230 5.048 -0.198 2.963 1.00 0.00 O ATOM 1312 CB VAL A 230 2.239 -0.031 1.079 1.00 0.00 C ATOM 1313 CG1 VAL A 230 0.760 -0.368 0.969 1.00 0.00 C ATOM 1314 CG2 VAL A 230 2.438 1.436 1.433 1.00 0.00 C ATOM 0 H VAL A 230 2.608 0.236 3.830 1.00 0.00 H new ATOM 0 HA VAL A 230 2.708 -1.983 1.896 1.00 0.00 H new ATOM 0 HB VAL A 230 2.701 -0.209 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 230 0.292 0.283 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 230 0.646 -1.407 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 230 0.280 -0.221 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 230 1.947 2.060 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 230 2.007 1.635 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 230 3.504 1.664 1.452 1.00 0.00 H new ATOM 1324 N VAL A 231 5.005 -1.128 0.911 1.00 0.00 N ATOM 1325 CA VAL A 231 6.435 -0.982 0.679 1.00 0.00 C ATOM 1326 C VAL A 231 6.688 -0.116 -0.549 1.00 0.00 C ATOM 1327 O VAL A 231 5.994 -0.237 -1.558 1.00 0.00 O ATOM 1328 CB VAL A 231 7.118 -2.349 0.483 1.00 0.00 C ATOM 1329 CG1 VAL A 231 8.630 -2.196 0.477 1.00 0.00 C ATOM 1330 CG2 VAL A 231 6.678 -3.326 1.562 1.00 0.00 C ATOM 0 H VAL A 231 4.498 -1.563 0.140 1.00 0.00 H new ATOM 0 HA VAL A 231 6.860 -0.504 1.561 1.00 0.00 H new ATOM 0 HB VAL A 231 6.814 -2.750 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 231 9.094 -3.172 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 231 8.926 -1.534 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 231 8.957 -1.772 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 231 7.171 -4.286 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 231 6.950 -2.933 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 231 5.598 -3.461 1.512 1.00 0.00 H new ATOM 1340 N ASP A 232 7.677 0.763 -0.456 1.00 0.00 N ATOM 1341 CA ASP A 232 8.011 1.656 -1.559 1.00 0.00 C ATOM 1342 C ASP A 232 8.631 0.891 -2.724 1.00 0.00 C ATOM 1343 O ASP A 232 9.742 0.372 -2.619 1.00 0.00 O ATOM 1344 CB ASP A 232 8.975 2.741 -1.080 1.00 0.00 C ATOM 1345 CG ASP A 232 9.323 3.735 -2.172 1.00 0.00 C ATOM 1346 OD1 ASP A 232 8.801 3.590 -3.298 1.00 0.00 O ATOM 1347 OD2 ASP A 232 10.118 4.660 -1.901 1.00 0.00 O ATOM 0 H ASP A 232 8.262 0.877 0.372 1.00 0.00 H new ATOM 0 HA ASP A 232 7.088 2.118 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 232 8.530 3.272 -0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 232 9.889 2.274 -0.714 1.00 0.00 H new ATOM 1352 N ARG A 233 7.907 0.834 -3.838 1.00 0.00 N ATOM 1353 CA ARG A 233 8.388 0.142 -5.028 1.00 0.00 C ATOM 1354 C ARG A 233 8.953 1.133 -6.042 1.00 0.00 C ATOM 1355 O ARG A 233 9.790 0.777 -6.871 1.00 0.00 O ATOM 1356 CB ARG A 233 7.260 -0.670 -5.668 1.00 0.00 C ATOM 1357 CG ARG A 233 7.712 -1.499 -6.860 1.00 0.00 C ATOM 1358 CD ARG A 233 6.550 -2.239 -7.503 1.00 0.00 C ATOM 1359 NE ARG A 233 6.295 -1.779 -8.866 1.00 0.00 N ATOM 1360 CZ ARG A 233 5.395 -2.328 -9.678 1.00 0.00 C ATOM 1361 NH1 ARG A 233 4.662 -3.356 -9.270 1.00 0.00 N ATOM 1362 NH2 ARG A 233 5.228 -1.848 -10.903 1.00 0.00 N ATOM 0 H ARG A 233 6.985 1.259 -3.941 1.00 0.00 H new ATOM 0 HA ARG A 233 9.185 -0.536 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 233 6.828 -1.332 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 233 6.469 0.009 -5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 233 8.183 -0.849 -7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 233 8.467 -2.216 -6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.763 -3.308 -7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 233 5.653 -2.100 -6.900 1.00 0.00 H new ATOM 0 HE ARG A 233 6.839 -0.990 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 233 4.787 -3.730 -8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 233 3.974 -3.772 -9.897 1.00 0.00 H new ATOM 0 HH21 ARG A 233 5.789 -1.058 -11.222 1.00 0.00 H new ATOM 0 HH22 ARG A 233 4.538 -2.268 -11.526 1.00 0.00 H new