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= -3.39 K(o=-3.8,f=-5.6!) USER MOD Set 1.2: A 212 HIS : no HD1:sc= -0.371 K(o=-3.8,f=-3) USER MOD Set 2.1: A 155 CYS SG : rot 120:sc= -0.705 USER MOD Set 2.2: A 157 MET CE :methyl 134:sc= -6.23! (180deg=-10.7!) USER MOD Set 2.3: A 191 SER OG : rot 97:sc= 1.29 USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 TYR OH : rot 150:sc= -1.17 USER MOD Single : A 167 ASN : amide:sc= -2.25 K(o=-2.3,f=-3.3!) USER MOD Single : A 169 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-1.8!) USER MOD Single : A 170 SER OG : rot 94:sc= -0.0514 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ -161:sc= -0.0521 (180deg=-0.396) USER MOD Single : A 181 SER OG : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot -119:sc= -3.06 USER MOD Single : A 196 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 203 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.41) USER MOD Single : A 206 CYS SG : rot 180:sc= -0.171 USER MOD Single : A 207 MET CE :methyl -150:sc= -0.15 (180deg=-1.18) USER MOD Single : A 210 LYS NZ :NH3+ -162:sc= -3.07 (180deg=-3.55) USER MOD Single : A 211 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 217 SER OG : rot 94:sc= 1.2 USER MOD Single : A 226 THR OG1 : rot 171:sc= 0.0255 USER MOD Single : A 227 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0111) USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 151 12.440 -2.524 3.037 1.00 0.00 N ATOM 126 CA ARG A 151 11.585 -2.586 4.221 1.00 0.00 C ATOM 127 C ARG A 151 10.257 -1.863 3.984 1.00 0.00 C ATOM 128 O ARG A 151 10.202 -0.873 3.256 1.00 0.00 O ATOM 129 CB ARG A 151 12.304 -1.994 5.437 1.00 0.00 C ATOM 130 CG ARG A 151 12.475 -0.484 5.384 1.00 0.00 C ATOM 131 CD ARG A 151 12.728 0.091 6.769 1.00 0.00 C ATOM 132 NE ARG A 151 14.154 0.207 7.063 1.00 0.00 N ATOM 133 CZ ARG A 151 14.639 0.541 8.257 1.00 0.00 C ATOM 134 NH1 ARG A 151 13.817 0.799 9.267 1.00 0.00 N ATOM 135 NH2 ARG A 151 15.950 0.617 8.442 1.00 0.00 N ATOM 0 HA ARG A 151 11.368 -3.635 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 151 11.747 -2.254 6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 151 13.287 -2.457 5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 151 13.307 -0.233 4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 151 11.581 -0.029 4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 151 12.262 1.073 6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 151 12.254 -0.545 7.517 1.00 0.00 H new ATOM 0 HE ARG A 151 14.817 0.021 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 151 12.808 0.742 9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 151 14.195 1.054 10.179 1.00 0.00 H new ATOM 0 HH21 ARG A 151 16.586 0.420 7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 151 16.322 0.873 9.357 1.00 0.00 H new ATOM 149 N PRO A 152 9.165 -2.361 4.592 1.00 0.00 N ATOM 150 CA PRO A 152 7.833 -1.768 4.437 1.00 0.00 C ATOM 151 C PRO A 152 7.663 -0.476 5.231 1.00 0.00 C ATOM 152 O PRO A 152 8.513 -0.116 6.046 1.00 0.00 O ATOM 153 CB PRO A 152 6.906 -2.853 4.983 1.00 0.00 C ATOM 154 CG PRO A 152 7.730 -3.575 5.991 1.00 0.00 C ATOM 155 CD PRO A 152 9.142 -3.548 5.470 1.00 0.00 C ATOM 0 HA PRO A 152 7.633 -1.486 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 152 6.013 -2.421 5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 152 6.570 -3.523 4.192 1.00 0.00 H new ATOM 0 HG2 PRO A 152 7.665 -3.092 6.966 1.00 0.00 H new ATOM 0 HG3 PRO A 152 7.381 -4.600 6.119 1.00 0.00 H new ATOM 0 HD2 PRO A 152 9.867 -3.462 6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 152 9.384 -4.458 4.921 1.00 0.00 H new ATOM 163 N ARG A 153 6.552 0.212 4.987 1.00 0.00 N ATOM 164 CA ARG A 153 6.251 1.463 5.674 1.00 0.00 C ATOM 165 C ARG A 153 4.795 1.489 6.129 1.00 0.00 C ATOM 166 O ARG A 153 3.916 0.953 5.455 1.00 0.00 O ATOM 167 CB ARG A 153 6.534 2.654 4.756 1.00 0.00 C ATOM 168 CG ARG A 153 7.936 2.648 4.169 1.00 0.00 C ATOM 169 CD ARG A 153 8.154 3.818 3.221 1.00 0.00 C ATOM 170 NE ARG A 153 7.014 4.025 2.330 1.00 0.00 N ATOM 171 CZ ARG A 153 5.965 4.790 2.627 1.00 0.00 C ATOM 172 NH1 ARG A 153 5.900 5.421 3.793 1.00 0.00 N ATOM 173 NH2 ARG A 153 4.976 4.924 1.754 1.00 0.00 N ATOM 0 H ARG A 153 5.842 -0.078 4.315 1.00 0.00 H new ATOM 0 HA ARG A 153 6.892 1.534 6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 153 5.808 2.656 3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 153 6.387 3.577 5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 153 8.668 2.692 4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 153 8.104 1.712 3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 153 8.330 4.725 3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 153 9.050 3.640 2.627 1.00 0.00 H new ATOM 0 HE ARG A 153 7.022 3.555 1.425 1.00 0.00 H new ATOM 0 HH11 ARG A 153 6.657 5.322 4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 153 5.093 6.005 4.013 1.00 0.00 H new ATOM 0 HH21 ARG A 153 5.019 4.442 0.856 1.00 0.00 H new ATOM 0 HH22 ARG A 153 4.172 5.510 1.980 1.00 0.00 H new ATOM 187 N LEU A 154 4.547 2.106 7.280 1.00 0.00 N ATOM 188 CA LEU A 154 3.196 2.190 7.826 1.00 0.00 C ATOM 189 C LEU A 154 2.439 3.385 7.255 1.00 0.00 C ATOM 190 O LEU A 154 2.975 4.490 7.170 1.00 0.00 O ATOM 191 CB LEU A 154 3.247 2.286 9.352 1.00 0.00 C ATOM 192 CG LEU A 154 1.883 2.326 10.044 1.00 0.00 C ATOM 193 CD1 LEU A 154 1.110 1.046 9.771 1.00 0.00 C ATOM 194 CD2 LEU A 154 2.052 2.540 11.541 1.00 0.00 C ATOM 0 H LEU A 154 5.262 2.555 7.852 1.00 0.00 H new ATOM 0 HA LEU A 154 2.664 1.283 7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.807 1.434 9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.803 3.183 9.626 1.00 0.00 H new ATOM 0 HG LEU A 154 1.315 3.163 9.639 1.00 0.00 H new ATOM 0 HD11 LEU A 154 0.142 1.092 10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 154 0.959 0.934 8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.674 0.193 10.149 1.00 0.00 H new ATOM 0 HD21 LEU A 154 1.072 2.566 12.018 1.00 0.00 H new ATOM 0 HD22 LEU A 154 2.639 1.723 11.961 1.00 0.00 H new ATOM 0 HD23 LEU A 154 2.567 3.485 11.718 1.00 0.00 H new ATOM 206 N CYS A 155 1.188 3.153 6.868 1.00 0.00 N ATOM 207 CA CYS A 155 0.351 4.207 6.309 1.00 0.00 C ATOM 208 C CYS A 155 -1.005 4.250 7.007 1.00 0.00 C ATOM 209 O CYS A 155 -1.590 3.211 7.312 1.00 0.00 O ATOM 210 CB CYS A 155 0.159 3.994 4.807 1.00 0.00 C ATOM 211 SG CYS A 155 -0.428 5.457 3.922 1.00 0.00 S ATOM 0 H CYS A 155 0.732 2.243 6.932 1.00 0.00 H new ATOM 0 HA CYS A 155 0.854 5.161 6.470 1.00 0.00 H new ATOM 0 HB2 CYS A 155 1.106 3.676 4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -0.551 3.181 4.654 1.00 0.00 H new ATOM 0 HG CYS A 155 0.441 5.793 3.015 1.00 0.00 H new ATOM 217 N THR A 156 -1.499 5.457 7.254 1.00 0.00 N ATOM 218 CA THR A 156 -2.786 5.639 7.914 1.00 0.00 C ATOM 219 C THR A 156 -3.646 6.639 7.150 1.00 0.00 C ATOM 220 O THR A 156 -3.371 7.838 7.155 1.00 0.00 O ATOM 221 CB THR A 156 -2.583 6.120 9.352 1.00 0.00 C ATOM 222 OG1 THR A 156 -1.487 5.453 9.953 1.00 0.00 O ATOM 223 CG2 THR A 156 -3.794 5.901 10.233 1.00 0.00 C ATOM 0 H THR A 156 -1.027 6.326 7.006 1.00 0.00 H new ATOM 0 HA THR A 156 -3.299 4.677 7.930 1.00 0.00 H new ATOM 0 HB THR A 156 -2.399 7.192 9.276 1.00 0.00 H new ATOM 0 HG1 THR A 156 -1.372 5.775 10.871 1.00 0.00 H new ATOM 0 HG21 THR A 156 -3.583 6.264 11.239 1.00 0.00 H new ATOM 0 HG22 THR A 156 -4.645 6.444 9.823 1.00 0.00 H new ATOM 0 HG23 THR A 156 -4.027 4.837 10.273 1.00 0.00 H new ATOM 231 N MET A 157 -4.686 6.138 6.493 1.00 0.00 N ATOM 232 CA MET A 157 -5.582 6.991 5.722 1.00 0.00 C ATOM 233 C MET A 157 -7.009 6.903 6.250 1.00 0.00 C ATOM 234 O MET A 157 -7.469 5.833 6.650 1.00 0.00 O ATOM 235 CB MET A 157 -5.545 6.603 4.242 1.00 0.00 C ATOM 236 CG MET A 157 -5.713 5.112 3.994 1.00 0.00 C ATOM 237 SD MET A 157 -5.105 4.607 2.374 1.00 0.00 S ATOM 238 CE MET A 157 -3.398 4.225 2.757 1.00 0.00 C ATOM 0 H MET A 157 -4.929 5.147 6.479 1.00 0.00 H new ATOM 0 HA MET A 157 -5.240 8.021 5.827 1.00 0.00 H new ATOM 0 HB2 MET A 157 -6.333 7.141 3.715 1.00 0.00 H new ATOM 0 HB3 MET A 157 -4.597 6.928 3.814 1.00 0.00 H new ATOM 0 HG2 MET A 157 -5.182 4.557 4.767 1.00 0.00 H new ATOM 0 HG3 MET A 157 -6.767 4.849 4.081 1.00 0.00 H new ATOM 0 HE1 MET A 157 -3.126 3.274 2.299 1.00 0.00 H new ATOM 0 HE2 MET A 157 -2.753 5.013 2.368 1.00 0.00 H new ATOM 0 HE3 MET A 157 -3.274 4.156 3.838 1.00 0.00 H new ATOM 248 N LYS A 158 -7.703 8.036 6.252 1.00 0.00 N ATOM 249 CA LYS A 158 -9.078 8.088 6.735 1.00 0.00 C ATOM 250 C LYS A 158 -10.066 8.135 5.574 1.00 0.00 C ATOM 251 O LYS A 158 -9.874 8.876 4.609 1.00 0.00 O ATOM 252 CB LYS A 158 -9.277 9.306 7.637 1.00 0.00 C ATOM 253 CG LYS A 158 -8.328 9.347 8.824 1.00 0.00 C ATOM 254 CD LYS A 158 -8.310 10.719 9.476 1.00 0.00 C ATOM 255 CE LYS A 158 -7.144 11.557 8.979 1.00 0.00 C ATOM 256 NZ LYS A 158 -6.861 12.707 9.882 1.00 0.00 N ATOM 0 H LYS A 158 -7.336 8.930 5.925 1.00 0.00 H new ATOM 0 HA LYS A 158 -9.267 7.181 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -9.144 10.211 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -10.304 9.312 8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -8.628 8.599 9.557 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -7.322 9.086 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -9.246 11.235 9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -8.244 10.608 10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.255 10.931 8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -7.364 11.927 7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -6.059 13.253 9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -7.700 13.319 9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -6.626 12.353 10.831 1.00 0.00 H new ATOM 270 N LYS A 159 -11.127 7.341 5.678 1.00 0.00 N ATOM 271 CA LYS A 159 -12.152 7.290 4.642 1.00 0.00 C ATOM 272 C LYS A 159 -12.962 8.582 4.618 1.00 0.00 C ATOM 273 O LYS A 159 -12.745 9.446 3.767 1.00 0.00 O ATOM 274 CB LYS A 159 -13.066 6.078 4.872 1.00 0.00 C ATOM 275 CG LYS A 159 -14.426 6.166 4.188 1.00 0.00 C ATOM 276 CD LYS A 159 -14.296 6.537 2.721 1.00 0.00 C ATOM 277 CE LYS A 159 -15.513 6.095 1.925 1.00 0.00 C ATOM 278 NZ LYS A 159 -15.219 6.001 0.468 1.00 0.00 N ATOM 0 H LYS A 159 -11.299 6.723 6.471 1.00 0.00 H new ATOM 0 HA LYS A 159 -11.666 7.184 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -12.555 5.182 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -13.221 5.955 5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -14.940 5.209 4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -15.042 6.907 4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -14.171 7.616 2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -13.401 6.075 2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -15.853 5.126 2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -16.328 6.800 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -16.074 5.697 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -14.919 6.932 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -14.459 5.309 0.311 1.00 0.00 H new ATOM 292 N GLY A 160 -13.899 8.708 5.552 1.00 0.00 N ATOM 293 CA GLY A 160 -14.727 9.897 5.611 1.00 0.00 C ATOM 294 C GLY A 160 -15.430 10.174 4.295 1.00 0.00 C ATOM 295 O GLY A 160 -15.574 9.275 3.467 1.00 0.00 O ATOM 0 H GLY A 160 -14.099 8.009 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -15.470 9.781 6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -14.109 10.754 5.878 1.00 0.00 H new ATOM 299 N PRO A 161 -15.881 11.417 4.071 1.00 0.00 N ATOM 300 CA PRO A 161 -16.570 11.795 2.837 1.00 0.00 C ATOM 301 C PRO A 161 -15.606 12.047 1.678 1.00 0.00 C ATOM 302 O PRO A 161 -16.031 12.387 0.574 1.00 0.00 O ATOM 303 CB PRO A 161 -17.284 13.086 3.230 1.00 0.00 C ATOM 304 CG PRO A 161 -16.407 13.699 4.267 1.00 0.00 C ATOM 305 CD PRO A 161 -15.754 12.555 5.003 1.00 0.00 C ATOM 0 HA PRO A 161 -17.233 11.008 2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -17.407 13.748 2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -18.281 12.884 3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -15.657 14.345 3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -16.988 14.319 4.950 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -14.710 12.770 5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -16.252 12.353 5.951 1.00 0.00 H new ATOM 313 N SER A 162 -14.308 11.890 1.935 1.00 0.00 N ATOM 314 CA SER A 162 -13.298 12.115 0.906 1.00 0.00 C ATOM 315 C SER A 162 -12.799 10.801 0.308 1.00 0.00 C ATOM 316 O SER A 162 -12.410 10.754 -0.859 1.00 0.00 O ATOM 317 CB SER A 162 -12.120 12.900 1.486 1.00 0.00 C ATOM 318 OG SER A 162 -11.647 12.304 2.681 1.00 0.00 O ATOM 0 H SER A 162 -13.934 11.610 2.842 1.00 0.00 H new ATOM 0 HA SER A 162 -13.764 12.693 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 162 -11.313 12.944 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 162 -12.426 13.927 1.685 1.00 0.00 H new ATOM 0 HG SER A 162 -10.893 12.824 3.030 1.00 0.00 H new ATOM 324 N GLY A 163 -12.804 9.736 1.107 1.00 0.00 N ATOM 325 CA GLY A 163 -12.341 8.451 0.622 1.00 0.00 C ATOM 326 C GLY A 163 -10.855 8.258 0.838 1.00 0.00 C ATOM 327 O GLY A 163 -10.292 8.763 1.809 1.00 0.00 O ATOM 0 H GLY A 163 -13.119 9.742 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -12.886 7.655 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -12.566 8.364 -0.441 1.00 0.00 H new ATOM 331 N TYR A 164 -10.217 7.528 -0.068 1.00 0.00 N ATOM 332 CA TYR A 164 -8.785 7.274 0.026 1.00 0.00 C ATOM 333 C TYR A 164 -8.034 8.018 -1.071 1.00 0.00 C ATOM 334 O TYR A 164 -6.997 8.633 -0.824 1.00 0.00 O ATOM 335 CB TYR A 164 -8.504 5.776 -0.069 1.00 0.00 C ATOM 336 CG TYR A 164 -9.473 4.926 0.722 1.00 0.00 C ATOM 337 CD1 TYR A 164 -9.460 4.935 2.111 1.00 0.00 C ATOM 338 CD2 TYR A 164 -10.401 4.118 0.079 1.00 0.00 C ATOM 339 CE1 TYR A 164 -10.345 4.161 2.837 1.00 0.00 C ATOM 340 CE2 TYR A 164 -11.290 3.341 0.798 1.00 0.00 C ATOM 341 CZ TYR A 164 -11.258 3.367 2.177 1.00 0.00 C ATOM 342 OH TYR A 164 -12.141 2.596 2.896 1.00 0.00 O ATOM 0 H TYR A 164 -10.669 7.101 -0.877 1.00 0.00 H new ATOM 0 HA TYR A 164 -8.436 7.637 0.993 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -8.540 5.474 -1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -7.491 5.582 0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -8.747 5.557 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -10.429 4.096 -1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -10.321 4.178 3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -12.006 2.717 0.283 1.00 0.00 H new ATOM 0 HH TYR A 164 -12.971 2.487 2.386 1.00 0.00 H new ATOM 352 N GLY A 165 -8.575 7.965 -2.283 1.00 0.00 N ATOM 353 CA GLY A 165 -7.955 8.645 -3.404 1.00 0.00 C ATOM 354 C GLY A 165 -6.860 7.833 -4.075 1.00 0.00 C ATOM 355 O GLY A 165 -5.955 8.400 -4.687 1.00 0.00 O ATOM 0 H GLY A 165 -9.433 7.462 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -8.721 8.886 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -7.536 9.590 -3.059 1.00 0.00 H new ATOM 359 N PHE A 166 -6.934 6.508 -3.971 1.00 0.00 N ATOM 360 CA PHE A 166 -5.926 5.646 -4.590 1.00 0.00 C ATOM 361 C PHE A 166 -6.557 4.624 -5.527 1.00 0.00 C ATOM 362 O PHE A 166 -7.780 4.504 -5.608 1.00 0.00 O ATOM 363 CB PHE A 166 -5.098 4.918 -3.526 1.00 0.00 C ATOM 364 CG PHE A 166 -5.899 4.003 -2.637 1.00 0.00 C ATOM 365 CD1 PHE A 166 -6.526 2.876 -3.153 1.00 0.00 C ATOM 366 CD2 PHE A 166 -6.020 4.265 -1.282 1.00 0.00 C ATOM 367 CE1 PHE A 166 -7.256 2.036 -2.335 1.00 0.00 C ATOM 368 CE2 PHE A 166 -6.749 3.425 -0.460 1.00 0.00 C ATOM 369 CZ PHE A 166 -7.368 2.310 -0.988 1.00 0.00 C ATOM 0 H PHE A 166 -7.671 6.011 -3.471 1.00 0.00 H new ATOM 0 HA PHE A 166 -5.272 6.294 -5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -4.322 4.336 -4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -4.593 5.658 -2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -6.442 2.654 -4.207 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -5.539 5.136 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -7.739 1.164 -2.750 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -6.834 3.641 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 166 -7.939 1.654 -0.348 1.00 0.00 H new ATOM 379 N ASN A 167 -5.701 3.881 -6.225 1.00 0.00 N ATOM 380 CA ASN A 167 -6.146 2.849 -7.160 1.00 0.00 C ATOM 381 C ASN A 167 -5.327 1.573 -6.971 1.00 0.00 C ATOM 382 O ASN A 167 -4.179 1.624 -6.532 1.00 0.00 O ATOM 383 CB ASN A 167 -6.010 3.339 -8.606 1.00 0.00 C ATOM 384 CG ASN A 167 -6.866 4.553 -8.929 1.00 0.00 C ATOM 385 OD1 ASN A 167 -6.598 5.270 -9.893 1.00 0.00 O ATOM 386 ND2 ASN A 167 -7.905 4.785 -8.140 1.00 0.00 N ATOM 0 H ASN A 167 -4.687 3.975 -6.160 1.00 0.00 H new ATOM 0 HA ASN A 167 -7.195 2.634 -6.957 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -4.965 3.582 -8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -6.279 2.527 -9.281 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -8.516 5.581 -8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -8.094 4.167 -7.351 1.00 0.00 H new ATOM 393 N LEU A 168 -5.923 0.430 -7.302 1.00 0.00 N ATOM 394 CA LEU A 168 -5.241 -0.855 -7.159 1.00 0.00 C ATOM 395 C LEU A 168 -5.276 -1.664 -8.454 1.00 0.00 C ATOM 396 O LEU A 168 -6.275 -1.666 -9.174 1.00 0.00 O ATOM 397 CB LEU A 168 -5.877 -1.676 -6.034 1.00 0.00 C ATOM 398 CG LEU A 168 -5.436 -1.305 -4.616 1.00 0.00 C ATOM 399 CD1 LEU A 168 -3.977 -1.669 -4.398 1.00 0.00 C ATOM 400 CD2 LEU A 168 -5.662 0.174 -4.352 1.00 0.00 C ATOM 0 H LEU A 168 -6.872 0.366 -7.669 1.00 0.00 H new ATOM 0 HA LEU A 168 -4.200 -0.640 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -6.960 -1.570 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -5.649 -2.729 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 168 -6.042 -1.874 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -3.682 -1.398 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -3.845 -2.742 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -3.357 -1.129 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -5.342 0.416 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -5.085 0.763 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -6.721 0.406 -4.463 1.00 0.00 H new ATOM 412 N HIS A 169 -4.179 -2.365 -8.729 1.00 0.00 N ATOM 413 CA HIS A 169 -4.073 -3.203 -9.919 1.00 0.00 C ATOM 414 C HIS A 169 -3.298 -4.479 -9.599 1.00 0.00 C ATOM 415 O HIS A 169 -2.361 -4.461 -8.800 1.00 0.00 O ATOM 416 CB HIS A 169 -3.388 -2.443 -11.060 1.00 0.00 C ATOM 417 CG HIS A 169 -1.928 -2.192 -10.831 1.00 0.00 C ATOM 418 ND1 HIS A 169 -0.959 -2.485 -11.768 1.00 0.00 N ATOM 419 CD2 HIS A 169 -1.272 -1.674 -9.765 1.00 0.00 C ATOM 420 CE1 HIS A 169 0.228 -2.159 -11.288 1.00 0.00 C ATOM 421 NE2 HIS A 169 0.065 -1.665 -10.075 1.00 0.00 N ATOM 0 H HIS A 169 -3.347 -2.369 -8.140 1.00 0.00 H new ATOM 0 HA HIS A 169 -5.080 -3.471 -10.239 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -3.509 -3.008 -11.984 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -3.893 -1.488 -11.202 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -1.718 -1.332 -8.843 1.00 0.00 H new ATOM 0 HE1 HIS A 169 1.171 -2.277 -11.801 1.00 0.00 H new ATOM 0 HE2 HIS A 169 0.812 -1.331 -9.466 1.00 0.00 H new ATOM 430 N SER A 170 -3.694 -5.586 -10.219 1.00 0.00 N ATOM 431 CA SER A 170 -3.031 -6.864 -9.985 1.00 0.00 C ATOM 432 C SER A 170 -2.969 -7.697 -11.261 1.00 0.00 C ATOM 433 O SER A 170 -3.726 -7.467 -12.204 1.00 0.00 O ATOM 434 CB SER A 170 -3.758 -7.645 -8.889 1.00 0.00 C ATOM 435 OG SER A 170 -3.102 -8.871 -8.615 1.00 0.00 O ATOM 0 H SER A 170 -4.467 -5.624 -10.884 1.00 0.00 H new ATOM 0 HA SER A 170 -2.010 -6.657 -9.663 1.00 0.00 H new ATOM 0 HB2 SER A 170 -3.806 -7.044 -7.981 1.00 0.00 H new ATOM 0 HB3 SER A 170 -4.785 -7.840 -9.197 1.00 0.00 H new ATOM 0 HG SER A 170 -2.476 -8.748 -7.871 1.00 0.00 H new ATOM 441 N ASP A 171 -2.062 -8.668 -11.277 1.00 0.00 N ATOM 442 CA ASP A 171 -1.896 -9.545 -12.431 1.00 0.00 C ATOM 443 C ASP A 171 -1.986 -11.009 -12.011 1.00 0.00 C ATOM 444 O ASP A 171 -2.965 -11.692 -12.312 1.00 0.00 O ATOM 445 CB ASP A 171 -0.552 -9.275 -13.112 1.00 0.00 C ATOM 446 CG ASP A 171 -0.347 -10.130 -14.348 1.00 0.00 C ATOM 447 OD1 ASP A 171 -1.194 -10.062 -15.263 1.00 0.00 O ATOM 448 OD2 ASP A 171 0.660 -10.866 -14.400 1.00 0.00 O ATOM 0 H ASP A 171 -1.429 -8.868 -10.502 1.00 0.00 H new ATOM 0 HA ASP A 171 -2.699 -9.338 -13.138 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -0.493 -8.222 -13.388 1.00 0.00 H new ATOM 0 HB3 ASP A 171 0.255 -9.465 -12.404 1.00 0.00 H new ATOM 453 N LYS A 172 -0.961 -11.482 -11.308 1.00 0.00 N ATOM 454 CA LYS A 172 -0.927 -12.863 -10.841 1.00 0.00 C ATOM 455 C LYS A 172 -1.561 -12.978 -9.458 1.00 0.00 C ATOM 456 O LYS A 172 -1.822 -11.971 -8.801 1.00 0.00 O ATOM 457 CB LYS A 172 0.513 -13.377 -10.800 1.00 0.00 C ATOM 458 CG LYS A 172 1.127 -13.578 -12.176 1.00 0.00 C ATOM 459 CD LYS A 172 0.286 -14.513 -13.031 1.00 0.00 C ATOM 460 CE LYS A 172 0.991 -14.864 -14.331 1.00 0.00 C ATOM 461 NZ LYS A 172 0.207 -15.834 -15.144 1.00 0.00 N ATOM 0 H LYS A 172 -0.144 -10.929 -11.050 1.00 0.00 H new ATOM 0 HA LYS A 172 -1.500 -13.473 -11.539 1.00 0.00 H new ATOM 0 HB2 LYS A 172 1.126 -12.672 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 172 0.537 -14.323 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 172 1.224 -12.615 -12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 172 2.133 -13.985 -12.071 1.00 0.00 H new ATOM 0 HD2 LYS A 172 0.073 -15.425 -12.473 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -0.673 -14.043 -13.251 1.00 0.00 H new ATOM 0 HE2 LYS A 172 1.157 -13.956 -14.910 1.00 0.00 H new ATOM 0 HE3 LYS A 172 1.972 -15.285 -14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 0.722 -16.047 -16.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 0.070 -16.711 -14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -0.719 -15.423 -15.377 1.00 0.00 H new ATOM 475 N SER A 173 -1.806 -14.209 -9.021 1.00 0.00 N ATOM 476 CA SER A 173 -2.410 -14.446 -7.714 1.00 0.00 C ATOM 477 C SER A 173 -1.405 -15.061 -6.744 1.00 0.00 C ATOM 478 O SER A 173 -1.788 -15.682 -5.752 1.00 0.00 O ATOM 479 CB SER A 173 -3.630 -15.359 -7.851 1.00 0.00 C ATOM 480 OG SER A 173 -4.460 -14.944 -8.922 1.00 0.00 O ATOM 0 H SER A 173 -1.597 -15.055 -9.550 1.00 0.00 H new ATOM 0 HA SER A 173 -2.726 -13.483 -7.312 1.00 0.00 H new ATOM 0 HB2 SER A 173 -3.303 -16.386 -8.017 1.00 0.00 H new ATOM 0 HB3 SER A 173 -4.200 -15.352 -6.922 1.00 0.00 H new ATOM 0 HG SER A 173 -5.232 -15.544 -8.990 1.00 0.00 H new ATOM 486 N LYS A 174 -0.120 -14.886 -7.034 1.00 0.00 N ATOM 487 CA LYS A 174 0.934 -15.427 -6.182 1.00 0.00 C ATOM 488 C LYS A 174 1.597 -14.330 -5.345 1.00 0.00 C ATOM 489 O LYS A 174 1.753 -14.483 -4.134 1.00 0.00 O ATOM 490 CB LYS A 174 1.985 -16.159 -7.022 1.00 0.00 C ATOM 491 CG LYS A 174 1.391 -17.163 -7.997 1.00 0.00 C ATOM 492 CD LYS A 174 2.457 -18.088 -8.563 1.00 0.00 C ATOM 493 CE LYS A 174 3.291 -17.391 -9.626 1.00 0.00 C ATOM 494 NZ LYS A 174 2.486 -17.060 -10.834 1.00 0.00 N ATOM 0 H LYS A 174 0.217 -14.375 -7.850 1.00 0.00 H new ATOM 0 HA LYS A 174 0.471 -16.138 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 174 2.569 -15.426 -7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 174 2.675 -16.676 -6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 174 0.626 -17.753 -7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 174 0.898 -16.633 -8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 174 3.106 -18.433 -7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 174 1.984 -18.971 -8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 174 3.717 -16.477 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 174 4.126 -18.032 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 3.122 -16.891 -11.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 1.850 -17.853 -11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 1.923 -16.205 -10.652 1.00 0.00 H new ATOM 508 N PRO A 175 2.002 -13.206 -5.969 1.00 0.00 N ATOM 509 CA PRO A 175 2.647 -12.100 -5.255 1.00 0.00 C ATOM 510 C PRO A 175 1.679 -11.371 -4.329 1.00 0.00 C ATOM 511 O PRO A 175 1.825 -11.407 -3.108 1.00 0.00 O ATOM 512 CB PRO A 175 3.126 -11.160 -6.374 1.00 0.00 C ATOM 513 CG PRO A 175 2.986 -11.939 -7.639 1.00 0.00 C ATOM 514 CD PRO A 175 1.871 -12.913 -7.403 1.00 0.00 C ATOM 0 HA PRO A 175 3.454 -12.454 -4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 175 2.526 -10.250 -6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 175 4.160 -10.855 -6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 175 2.759 -11.282 -8.479 1.00 0.00 H new ATOM 0 HG3 PRO A 175 3.913 -12.458 -7.882 1.00 0.00 H new ATOM 0 HD2 PRO A 175 0.899 -12.482 -7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 175 1.980 -13.810 -8.012 1.00 0.00 H new ATOM 522 N GLY A 176 0.690 -10.708 -4.921 1.00 0.00 N ATOM 523 CA GLY A 176 -0.289 -9.978 -4.137 1.00 0.00 C ATOM 524 C GLY A 176 -0.884 -8.809 -4.897 1.00 0.00 C ATOM 525 O GLY A 176 -0.836 -8.771 -6.126 1.00 0.00 O ATOM 0 H GLY A 176 0.549 -10.664 -5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 176 -1.088 -10.656 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 176 0.181 -9.613 -3.224 1.00 0.00 H new ATOM 529 N GLN A 177 -1.446 -7.854 -4.164 1.00 0.00 N ATOM 530 CA GLN A 177 -2.054 -6.678 -4.777 1.00 0.00 C ATOM 531 C GLN A 177 -1.168 -5.450 -4.593 1.00 0.00 C ATOM 532 O GLN A 177 -0.516 -5.291 -3.562 1.00 0.00 O ATOM 533 CB GLN A 177 -3.435 -6.419 -4.173 1.00 0.00 C ATOM 534 CG GLN A 177 -4.152 -5.226 -4.785 1.00 0.00 C ATOM 535 CD GLN A 177 -4.714 -5.526 -6.160 1.00 0.00 C ATOM 536 OE1 GLN A 177 -4.436 -4.815 -7.126 1.00 0.00 O ATOM 537 NE2 GLN A 177 -5.512 -6.583 -6.256 1.00 0.00 N ATOM 0 H GLN A 177 -1.493 -7.871 -3.145 1.00 0.00 H new ATOM 0 HA GLN A 177 -2.162 -6.870 -5.845 1.00 0.00 H new ATOM 0 HB2 GLN A 177 -4.052 -7.308 -4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 177 -3.329 -6.258 -3.100 1.00 0.00 H new ATOM 0 HG2 GLN A 177 -4.962 -4.916 -4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 177 -3.459 -4.387 -4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 177 -5.716 -7.145 -5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 177 -5.921 -6.833 -7.156 1.00 0.00 H new ATOM 546 N PHE A 178 -1.150 -4.584 -5.601 1.00 0.00 N ATOM 547 CA PHE A 178 -0.344 -3.369 -5.550 1.00 0.00 C ATOM 548 C PHE A 178 -1.139 -2.170 -6.056 1.00 0.00 C ATOM 549 O PHE A 178 -2.032 -2.315 -6.890 1.00 0.00 O ATOM 550 CB PHE A 178 0.929 -3.538 -6.384 1.00 0.00 C ATOM 551 CG PHE A 178 1.561 -4.895 -6.254 1.00 0.00 C ATOM 552 CD1 PHE A 178 1.962 -5.371 -5.016 1.00 0.00 C ATOM 553 CD2 PHE A 178 1.755 -5.693 -7.370 1.00 0.00 C ATOM 554 CE1 PHE A 178 2.544 -6.619 -4.893 1.00 0.00 C ATOM 555 CE2 PHE A 178 2.336 -6.941 -7.254 1.00 0.00 C ATOM 556 CZ PHE A 178 2.731 -7.405 -6.014 1.00 0.00 C ATOM 0 H PHE A 178 -1.684 -4.701 -6.462 1.00 0.00 H new ATOM 0 HA PHE A 178 -0.068 -3.190 -4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 178 0.693 -3.356 -7.432 1.00 0.00 H new ATOM 0 HB3 PHE A 178 1.652 -2.780 -6.084 1.00 0.00 H new ATOM 0 HD1 PHE A 178 1.818 -4.760 -4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 178 1.448 -5.335 -8.342 1.00 0.00 H new ATOM 0 HE1 PHE A 178 2.852 -6.979 -3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 178 2.481 -7.553 -8.132 1.00 0.00 H new ATOM 0 HZ PHE A 178 3.185 -8.380 -5.921 1.00 0.00 H new ATOM 566 N ILE A 179 -0.808 -0.986 -5.549 1.00 0.00 N ATOM 567 CA ILE A 179 -1.494 0.236 -5.957 1.00 0.00 C ATOM 568 C ILE A 179 -1.079 0.637 -7.368 1.00 0.00 C ATOM 569 O ILE A 179 0.092 0.535 -7.734 1.00 0.00 O ATOM 570 CB ILE A 179 -1.207 1.395 -4.977 1.00 0.00 C ATOM 571 CG1 ILE A 179 -1.650 1.006 -3.565 1.00 0.00 C ATOM 572 CG2 ILE A 179 -1.913 2.672 -5.418 1.00 0.00 C ATOM 573 CD1 ILE A 179 -1.337 2.055 -2.522 1.00 0.00 C ATOM 0 H ILE A 179 -0.071 -0.847 -4.857 1.00 0.00 H new ATOM 0 HA ILE A 179 -2.565 0.033 -5.944 1.00 0.00 H new ATOM 0 HB ILE A 179 -0.134 1.586 -4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -2.724 0.818 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -1.164 0.071 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -1.694 3.472 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -1.562 2.958 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -2.989 2.500 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -1.679 1.711 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -0.261 2.226 -2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -1.845 2.985 -2.777 1.00 0.00 H new ATOM 585 N ARG A 180 -2.048 1.080 -8.162 1.00 0.00 N ATOM 586 CA ARG A 180 -1.781 1.479 -9.537 1.00 0.00 C ATOM 587 C ARG A 180 -1.652 2.995 -9.667 1.00 0.00 C ATOM 588 O ARG A 180 -0.875 3.489 -10.484 1.00 0.00 O ATOM 589 CB ARG A 180 -2.884 0.955 -10.463 1.00 0.00 C ATOM 590 CG ARG A 180 -4.197 1.718 -10.368 1.00 0.00 C ATOM 591 CD ARG A 180 -5.056 1.500 -11.604 1.00 0.00 C ATOM 592 NE ARG A 180 -6.460 1.275 -11.267 1.00 0.00 N ATOM 593 CZ ARG A 180 -7.471 1.502 -12.104 1.00 0.00 C ATOM 594 NH1 ARG A 180 -7.240 1.952 -13.331 1.00 0.00 N ATOM 595 NH2 ARG A 180 -8.717 1.274 -11.713 1.00 0.00 N ATOM 0 H ARG A 180 -3.023 1.171 -7.877 1.00 0.00 H new ATOM 0 HA ARG A 180 -0.828 1.040 -9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 180 -2.528 0.995 -11.492 1.00 0.00 H new ATOM 0 HB3 ARG A 180 -3.069 -0.094 -10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 180 -4.744 1.396 -9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 180 -3.993 2.782 -10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 180 -4.976 2.368 -12.258 1.00 0.00 H new ATOM 0 HD3 ARG A 180 -4.676 0.644 -12.162 1.00 0.00 H new ATOM 0 HE ARG A 180 -6.679 0.923 -10.335 1.00 0.00 H new ATOM 0 HH11 ARG A 180 -6.283 2.126 -13.639 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -8.019 2.124 -13.966 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -8.901 0.925 -10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -9.492 1.447 -12.353 1.00 0.00 H new ATOM 609 N SER A 181 -2.417 3.732 -8.867 1.00 0.00 N ATOM 610 CA SER A 181 -2.375 5.188 -8.918 1.00 0.00 C ATOM 611 C SER A 181 -2.733 5.805 -7.571 1.00 0.00 C ATOM 612 O SER A 181 -3.467 5.216 -6.778 1.00 0.00 O ATOM 613 CB SER A 181 -3.330 5.706 -9.995 1.00 0.00 C ATOM 614 OG SER A 181 -3.188 7.105 -10.173 1.00 0.00 O ATOM 0 H SER A 181 -3.068 3.348 -8.182 1.00 0.00 H new ATOM 0 HA SER A 181 -1.355 5.482 -9.165 1.00 0.00 H new ATOM 0 HB2 SER A 181 -3.132 5.195 -10.937 1.00 0.00 H new ATOM 0 HB3 SER A 181 -4.358 5.474 -9.716 1.00 0.00 H new ATOM 0 HG SER A 181 -3.808 7.411 -10.868 1.00 0.00 H new ATOM 620 N VAL A 182 -2.211 7.002 -7.327 1.00 0.00 N ATOM 621 CA VAL A 182 -2.472 7.718 -6.086 1.00 0.00 C ATOM 622 C VAL A 182 -2.886 9.157 -6.372 1.00 0.00 C ATOM 623 O VAL A 182 -2.283 9.831 -7.206 1.00 0.00 O ATOM 624 CB VAL A 182 -1.237 7.721 -5.165 1.00 0.00 C ATOM 625 CG1 VAL A 182 -1.577 8.332 -3.815 1.00 0.00 C ATOM 626 CG2 VAL A 182 -0.693 6.311 -4.999 1.00 0.00 C ATOM 0 H VAL A 182 -1.601 7.498 -7.977 1.00 0.00 H new ATOM 0 HA VAL A 182 -3.285 7.197 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.463 8.333 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -0.692 8.325 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.915 9.359 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.368 7.751 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.179 6.332 -4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -1.461 5.674 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 182 -0.407 5.914 -5.973 1.00 0.00 H new ATOM 636 N ASP A 183 -3.921 9.619 -5.681 1.00 0.00 N ATOM 637 CA ASP A 183 -4.417 10.977 -5.869 1.00 0.00 C ATOM 638 C ASP A 183 -3.579 11.980 -5.075 1.00 0.00 C ATOM 639 O ASP A 183 -3.476 11.880 -3.853 1.00 0.00 O ATOM 640 CB ASP A 183 -5.883 11.066 -5.441 1.00 0.00 C ATOM 641 CG ASP A 183 -6.502 12.414 -5.763 1.00 0.00 C ATOM 642 OD1 ASP A 183 -5.831 13.234 -6.424 1.00 0.00 O ATOM 643 OD2 ASP A 183 -7.657 12.649 -5.352 1.00 0.00 O ATOM 0 H ASP A 183 -4.432 9.074 -4.987 1.00 0.00 H new ATOM 0 HA ASP A 183 -4.337 11.225 -6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 183 -6.452 10.281 -5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 183 -5.957 10.883 -4.369 1.00 0.00 H new ATOM 648 N PRO A 184 -2.961 12.962 -5.756 1.00 0.00 N ATOM 649 CA PRO A 184 -2.131 13.974 -5.094 1.00 0.00 C ATOM 650 C PRO A 184 -2.920 14.803 -4.085 1.00 0.00 C ATOM 651 O PRO A 184 -3.959 15.377 -4.413 1.00 0.00 O ATOM 652 CB PRO A 184 -1.645 14.864 -6.246 1.00 0.00 C ATOM 653 CG PRO A 184 -1.825 14.042 -7.476 1.00 0.00 C ATOM 654 CD PRO A 184 -3.013 13.163 -7.215 1.00 0.00 C ATOM 0 HA PRO A 184 -1.322 13.517 -4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 184 -2.222 15.787 -6.301 1.00 0.00 H new ATOM 0 HB3 PRO A 184 -0.601 15.148 -6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 184 -1.992 14.675 -8.348 1.00 0.00 H new ATOM 0 HG3 PRO A 184 -0.936 13.446 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 184 -3.943 13.639 -7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 184 -2.943 12.219 -7.755 1.00 0.00 H new ATOM 662 N ASP A 185 -2.413 14.869 -2.857 1.00 0.00 N ATOM 663 CA ASP A 185 -3.057 15.635 -1.792 1.00 0.00 C ATOM 664 C ASP A 185 -4.308 14.932 -1.266 1.00 0.00 C ATOM 665 O ASP A 185 -5.190 15.571 -0.693 1.00 0.00 O ATOM 666 CB ASP A 185 -3.419 17.039 -2.285 1.00 0.00 C ATOM 667 CG ASP A 185 -3.629 18.017 -1.145 1.00 0.00 C ATOM 668 OD1 ASP A 185 -4.724 18.002 -0.544 1.00 0.00 O ATOM 669 OD2 ASP A 185 -2.699 18.798 -0.853 1.00 0.00 O ATOM 0 H ASP A 185 -1.554 14.399 -2.573 1.00 0.00 H new ATOM 0 HA ASP A 185 -2.344 15.713 -0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -2.626 17.408 -2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -4.326 16.987 -2.887 1.00 0.00 H new ATOM 674 N SER A 186 -4.379 13.618 -1.453 1.00 0.00 N ATOM 675 CA SER A 186 -5.525 12.846 -0.982 1.00 0.00 C ATOM 676 C SER A 186 -5.190 12.127 0.322 1.00 0.00 C ATOM 677 O SER A 186 -4.019 11.977 0.672 1.00 0.00 O ATOM 678 CB SER A 186 -5.965 11.835 -2.042 1.00 0.00 C ATOM 679 OG SER A 186 -6.751 12.458 -3.042 1.00 0.00 O ATOM 0 H SER A 186 -3.661 13.067 -1.924 1.00 0.00 H new ATOM 0 HA SER A 186 -6.347 13.538 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 186 -5.088 11.375 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 186 -6.536 11.035 -1.572 1.00 0.00 H new ATOM 0 HG SER A 186 -7.642 12.051 -3.058 1.00 0.00 H new ATOM 685 N PRO A 187 -6.216 11.675 1.065 1.00 0.00 N ATOM 686 CA PRO A 187 -6.023 10.975 2.337 1.00 0.00 C ATOM 687 C PRO A 187 -4.903 9.943 2.277 1.00 0.00 C ATOM 688 O PRO A 187 -4.117 9.815 3.216 1.00 0.00 O ATOM 689 CB PRO A 187 -7.374 10.303 2.565 1.00 0.00 C ATOM 690 CG PRO A 187 -8.354 11.219 1.916 1.00 0.00 C ATOM 691 CD PRO A 187 -7.647 11.816 0.726 1.00 0.00 C ATOM 0 HA PRO A 187 -5.725 11.651 3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 187 -7.404 9.308 2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 187 -7.585 10.183 3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 187 -9.248 10.677 1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 187 -8.677 11.997 2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 187 -7.895 11.287 -0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 187 -7.923 12.860 0.578 1.00 0.00 H new ATOM 699 N ALA A 188 -4.822 9.216 1.168 1.00 0.00 N ATOM 700 CA ALA A 188 -3.780 8.214 1.000 1.00 0.00 C ATOM 701 C ALA A 188 -2.411 8.881 0.929 1.00 0.00 C ATOM 702 O ALA A 188 -1.444 8.414 1.532 1.00 0.00 O ATOM 703 CB ALA A 188 -4.038 7.386 -0.251 1.00 0.00 C ATOM 0 H ALA A 188 -5.461 9.302 0.378 1.00 0.00 H new ATOM 0 HA ALA A 188 -3.794 7.547 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 188 -3.250 6.641 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 188 -5.002 6.885 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 188 -4.047 8.039 -1.124 1.00 0.00 H new ATOM 709 N GLU A 189 -2.345 9.984 0.190 1.00 0.00 N ATOM 710 CA GLU A 189 -1.104 10.734 0.035 1.00 0.00 C ATOM 711 C GLU A 189 -0.731 11.441 1.332 1.00 0.00 C ATOM 712 O GLU A 189 0.392 11.318 1.820 1.00 0.00 O ATOM 713 CB GLU A 189 -1.246 11.761 -1.089 1.00 0.00 C ATOM 714 CG GLU A 189 0.084 12.238 -1.649 1.00 0.00 C ATOM 715 CD GLU A 189 0.716 11.231 -2.590 1.00 0.00 C ATOM 716 OE1 GLU A 189 0.587 10.016 -2.333 1.00 0.00 O ATOM 717 OE2 GLU A 189 1.338 11.658 -3.586 1.00 0.00 O ATOM 0 H GLU A 189 -3.140 10.379 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 189 -0.311 10.030 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -1.835 11.325 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -1.803 12.621 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -0.065 13.179 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 189 0.769 12.440 -0.826 1.00 0.00 H new ATOM 724 N ALA A 190 -1.685 12.188 1.882 1.00 0.00 N ATOM 725 CA ALA A 190 -1.468 12.929 3.122 1.00 0.00 C ATOM 726 C ALA A 190 -0.829 12.052 4.194 1.00 0.00 C ATOM 727 O ALA A 190 -0.095 12.541 5.052 1.00 0.00 O ATOM 728 CB ALA A 190 -2.783 13.504 3.626 1.00 0.00 C ATOM 0 H ALA A 190 -2.619 12.296 1.487 1.00 0.00 H new ATOM 0 HA ALA A 190 -0.779 13.746 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.609 14.054 4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -3.197 14.177 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -3.487 12.693 3.813 1.00 0.00 H new ATOM 734 N SER A 191 -1.112 10.756 4.139 1.00 0.00 N ATOM 735 CA SER A 191 -0.564 9.815 5.106 1.00 0.00 C ATOM 736 C SER A 191 0.840 9.374 4.703 1.00 0.00 C ATOM 737 O SER A 191 1.672 9.062 5.555 1.00 0.00 O ATOM 738 CB SER A 191 -1.478 8.598 5.233 1.00 0.00 C ATOM 739 OG SER A 191 -1.042 7.744 6.274 1.00 0.00 O ATOM 0 H SER A 191 -1.718 10.334 3.435 1.00 0.00 H new ATOM 0 HA SER A 191 -0.502 10.317 6.071 1.00 0.00 H new ATOM 0 HB2 SER A 191 -2.499 8.924 5.429 1.00 0.00 H new ATOM 0 HB3 SER A 191 -1.494 8.050 4.291 1.00 0.00 H new ATOM 0 HG SER A 191 -1.554 7.933 7.088 1.00 0.00 H new ATOM 745 N GLY A 192 1.096 9.350 3.399 1.00 0.00 N ATOM 746 CA GLY A 192 2.401 8.946 2.907 1.00 0.00 C ATOM 747 C GLY A 192 2.328 7.744 1.986 1.00 0.00 C ATOM 748 O GLY A 192 3.270 6.955 1.907 1.00 0.00 O ATOM 0 H GLY A 192 0.424 9.603 2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 192 2.859 9.780 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 192 3.048 8.713 3.753 1.00 0.00 H new ATOM 752 N LEU A 193 1.207 7.605 1.286 1.00 0.00 N ATOM 753 CA LEU A 193 1.014 6.493 0.364 1.00 0.00 C ATOM 754 C LEU A 193 1.633 6.804 -0.994 1.00 0.00 C ATOM 755 O LEU A 193 1.689 7.961 -1.411 1.00 0.00 O ATOM 756 CB LEU A 193 -0.479 6.193 0.209 1.00 0.00 C ATOM 757 CG LEU A 193 -0.817 4.998 -0.686 1.00 0.00 C ATOM 758 CD1 LEU A 193 -2.219 4.488 -0.385 1.00 0.00 C ATOM 759 CD2 LEU A 193 -0.687 5.378 -2.156 1.00 0.00 C ATOM 0 H LEU A 193 0.418 8.249 1.340 1.00 0.00 H new ATOM 0 HA LEU A 193 1.512 5.614 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -0.902 6.016 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -0.971 7.078 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 193 -0.108 4.197 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -2.443 3.638 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -2.277 4.177 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -2.942 5.283 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -0.931 4.516 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -1.372 6.195 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 193 0.336 5.695 -2.361 1.00 0.00 H new ATOM 771 N ARG A 194 2.097 5.765 -1.681 1.00 0.00 N ATOM 772 CA ARG A 194 2.711 5.932 -2.992 1.00 0.00 C ATOM 773 C ARG A 194 2.314 4.795 -3.926 1.00 0.00 C ATOM 774 O ARG A 194 2.312 3.628 -3.536 1.00 0.00 O ATOM 775 CB ARG A 194 4.234 5.997 -2.860 1.00 0.00 C ATOM 776 CG ARG A 194 4.743 7.339 -2.360 1.00 0.00 C ATOM 777 CD ARG A 194 6.179 7.246 -1.870 1.00 0.00 C ATOM 778 NE ARG A 194 6.363 7.917 -0.585 1.00 0.00 N ATOM 779 CZ ARG A 194 6.222 9.229 -0.406 1.00 0.00 C ATOM 780 NH1 ARG A 194 5.897 10.014 -1.425 1.00 0.00 N ATOM 781 NH2 ARG A 194 6.407 9.756 0.797 1.00 0.00 N ATOM 0 H ARG A 194 2.059 4.800 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 194 2.352 6.868 -3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 194 4.565 5.215 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 194 4.684 5.785 -3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 194 4.679 8.075 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 194 4.104 7.692 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 194 6.463 6.198 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 194 6.844 7.691 -2.610 1.00 0.00 H new ATOM 0 HE ARG A 194 6.614 7.347 0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 194 5.754 9.613 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 194 5.790 11.018 -1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 194 6.657 9.156 1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 194 6.299 10.761 0.936 1.00 0.00 H new ATOM 795 N ALA A 195 1.975 5.146 -5.162 1.00 0.00 N ATOM 796 CA ALA A 195 1.571 4.160 -6.156 1.00 0.00 C ATOM 797 C ALA A 195 2.641 3.090 -6.343 1.00 0.00 C ATOM 798 O ALA A 195 3.826 3.334 -6.117 1.00 0.00 O ATOM 799 CB ALA A 195 1.271 4.843 -7.482 1.00 0.00 C ATOM 0 H ALA A 195 1.972 6.109 -5.499 1.00 0.00 H new ATOM 0 HA ALA A 195 0.667 3.670 -5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.970 4.096 -8.216 1.00 0.00 H new ATOM 0 HB2 ALA A 195 0.464 5.563 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 195 2.163 5.360 -7.835 1.00 0.00 H new ATOM 805 N GLN A 196 2.209 1.903 -6.761 1.00 0.00 N ATOM 806 CA GLN A 196 3.119 0.783 -6.990 1.00 0.00 C ATOM 807 C GLN A 196 3.670 0.223 -5.679 1.00 0.00 C ATOM 808 O GLN A 196 4.554 -0.632 -5.690 1.00 0.00 O ATOM 809 CB GLN A 196 4.276 1.207 -7.898 1.00 0.00 C ATOM 810 CG GLN A 196 3.827 1.918 -9.164 1.00 0.00 C ATOM 811 CD GLN A 196 4.958 2.112 -10.154 1.00 0.00 C ATOM 812 OE1 GLN A 196 5.767 1.211 -10.375 1.00 0.00 O ATOM 813 NE2 GLN A 196 5.022 3.294 -10.755 1.00 0.00 N ATOM 0 H GLN A 196 1.229 1.691 -6.949 1.00 0.00 H new ATOM 0 HA GLN A 196 2.545 -0.004 -7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 196 4.943 1.864 -7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 196 4.854 0.324 -8.172 1.00 0.00 H new ATOM 0 HG2 GLN A 196 3.030 1.343 -9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 196 3.408 2.889 -8.902 1.00 0.00 H new ATOM 0 HE21 GLN A 196 4.330 4.013 -10.542 1.00 0.00 H new ATOM 0 HE22 GLN A 196 5.763 3.484 -11.430 1.00 0.00 H new ATOM 822 N ASP A 197 3.144 0.696 -4.550 1.00 0.00 N ATOM 823 CA ASP A 197 3.596 0.216 -3.251 1.00 0.00 C ATOM 824 C ASP A 197 3.058 -1.187 -2.991 1.00 0.00 C ATOM 825 O ASP A 197 1.988 -1.550 -3.479 1.00 0.00 O ATOM 826 CB ASP A 197 3.148 1.170 -2.142 1.00 0.00 C ATOM 827 CG ASP A 197 1.639 1.275 -2.042 1.00 0.00 C ATOM 828 OD1 ASP A 197 0.944 0.592 -2.822 1.00 0.00 O ATOM 829 OD2 ASP A 197 1.152 2.042 -1.185 1.00 0.00 O ATOM 0 H ASP A 197 2.411 1.405 -4.511 1.00 0.00 H new ATOM 0 HA ASP A 197 4.685 0.178 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 197 3.549 0.827 -1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 197 3.567 2.159 -2.327 1.00 0.00 H new ATOM 834 N ARG A 198 3.806 -1.978 -2.230 1.00 0.00 N ATOM 835 CA ARG A 198 3.394 -3.343 -1.924 1.00 0.00 C ATOM 836 C ARG A 198 2.551 -3.394 -0.653 1.00 0.00 C ATOM 837 O ARG A 198 3.044 -3.127 0.442 1.00 0.00 O ATOM 838 CB ARG A 198 4.618 -4.248 -1.774 1.00 0.00 C ATOM 839 CG ARG A 198 5.659 -4.047 -2.864 1.00 0.00 C ATOM 840 CD ARG A 198 5.275 -4.774 -4.143 1.00 0.00 C ATOM 841 NE ARG A 198 4.652 -3.880 -5.115 1.00 0.00 N ATOM 842 CZ ARG A 198 4.501 -4.175 -6.404 1.00 0.00 C ATOM 843 NH1 ARG A 198 4.927 -5.339 -6.880 1.00 0.00 N ATOM 844 NH2 ARG A 198 3.923 -3.304 -7.220 1.00 0.00 N ATOM 0 H ARG A 198 4.696 -1.700 -1.816 1.00 0.00 H new ATOM 0 HA ARG A 198 2.784 -3.701 -2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 198 5.079 -4.064 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 198 4.293 -5.289 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 198 5.771 -2.982 -3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 198 6.627 -4.408 -2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 198 6.164 -5.226 -4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 198 4.588 -5.587 -3.906 1.00 0.00 H new ATOM 0 HE ARG A 198 4.312 -2.976 -4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 198 5.373 -6.012 -6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 198 4.809 -5.560 -7.869 1.00 0.00 H new ATOM 0 HH21 ARG A 198 3.594 -2.408 -6.860 1.00 0.00 H new ATOM 0 HH22 ARG A 198 3.807 -3.530 -8.208 1.00 0.00 H new ATOM 858 N ILE A 199 1.277 -3.744 -0.809 1.00 0.00 N ATOM 859 CA ILE A 199 0.362 -3.835 0.323 1.00 0.00 C ATOM 860 C ILE A 199 0.735 -4.996 1.238 1.00 0.00 C ATOM 861 O ILE A 199 0.857 -6.137 0.794 1.00 0.00 O ATOM 862 CB ILE A 199 -1.096 -4.011 -0.143 1.00 0.00 C ATOM 863 CG1 ILE A 199 -1.440 -2.984 -1.224 1.00 0.00 C ATOM 864 CG2 ILE A 199 -2.048 -3.886 1.036 1.00 0.00 C ATOM 865 CD1 ILE A 199 -1.209 -1.551 -0.795 1.00 0.00 C ATOM 0 H ILE A 199 0.855 -3.969 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 199 0.447 -2.898 0.874 1.00 0.00 H new ATOM 0 HB ILE A 199 -1.206 -5.008 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 199 -0.842 -3.189 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 199 -2.485 -3.105 -1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 199 -3.074 -4.013 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 199 -1.816 -4.654 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 199 -1.937 -2.901 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 199 -1.474 -0.879 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 199 -1.827 -1.327 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 199 -0.159 -1.413 -0.538 1.00 0.00 H new ATOM 877 N VAL A 200 0.918 -4.693 2.518 1.00 0.00 N ATOM 878 CA VAL A 200 1.281 -5.708 3.500 1.00 0.00 C ATOM 879 C VAL A 200 0.107 -6.047 4.414 1.00 0.00 C ATOM 880 O VAL A 200 -0.154 -7.218 4.691 1.00 0.00 O ATOM 881 CB VAL A 200 2.473 -5.252 4.363 1.00 0.00 C ATOM 882 CG1 VAL A 200 2.990 -6.403 5.212 1.00 0.00 C ATOM 883 CG2 VAL A 200 3.580 -4.685 3.488 1.00 0.00 C ATOM 0 H VAL A 200 0.821 -3.752 2.900 1.00 0.00 H new ATOM 0 HA VAL A 200 1.564 -6.598 2.938 1.00 0.00 H new ATOM 0 HB VAL A 200 2.132 -4.463 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 200 3.832 -6.061 5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 200 2.195 -6.757 5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 200 3.315 -7.216 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 200 4.413 -4.368 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 200 3.921 -5.450 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 200 3.200 -3.829 2.930 1.00 0.00 H new ATOM 893 N GLU A 201 -0.596 -5.022 4.887 1.00 0.00 N ATOM 894 CA GLU A 201 -1.737 -5.231 5.775 1.00 0.00 C ATOM 895 C GLU A 201 -2.849 -4.223 5.499 1.00 0.00 C ATOM 896 O GLU A 201 -2.703 -3.331 4.664 1.00 0.00 O ATOM 897 CB GLU A 201 -1.295 -5.141 7.240 1.00 0.00 C ATOM 898 CG GLU A 201 -1.145 -3.719 7.756 1.00 0.00 C ATOM 899 CD GLU A 201 -0.268 -3.635 8.990 1.00 0.00 C ATOM 900 OE1 GLU A 201 0.561 -4.547 9.192 1.00 0.00 O ATOM 901 OE2 GLU A 201 -0.412 -2.659 9.756 1.00 0.00 O ATOM 0 H GLU A 201 -0.398 -4.045 4.673 1.00 0.00 H new ATOM 0 HA GLU A 201 -2.131 -6.229 5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -2.021 -5.667 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -0.343 -5.660 7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -0.720 -3.094 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -2.130 -3.315 7.987 1.00 0.00 H new ATOM 908 N VAL A 202 -3.958 -4.376 6.216 1.00 0.00 N ATOM 909 CA VAL A 202 -5.102 -3.486 6.064 1.00 0.00 C ATOM 910 C VAL A 202 -5.952 -3.469 7.331 1.00 0.00 C ATOM 911 O VAL A 202 -6.657 -4.432 7.630 1.00 0.00 O ATOM 912 CB VAL A 202 -5.989 -3.903 4.874 1.00 0.00 C ATOM 913 CG1 VAL A 202 -7.098 -2.883 4.646 1.00 0.00 C ATOM 914 CG2 VAL A 202 -5.151 -4.081 3.616 1.00 0.00 C ATOM 0 H VAL A 202 -4.088 -5.112 6.911 1.00 0.00 H new ATOM 0 HA VAL A 202 -4.704 -2.489 5.877 1.00 0.00 H new ATOM 0 HB VAL A 202 -6.452 -4.861 5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 202 -7.712 -3.196 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 202 -7.718 -2.814 5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 202 -6.658 -1.909 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 202 -5.796 -4.375 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 202 -4.655 -3.141 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 202 -4.401 -4.854 3.785 1.00 0.00 H new ATOM 924 N ASN A 203 -5.884 -2.368 8.070 1.00 0.00 N ATOM 925 CA ASN A 203 -6.649 -2.223 9.305 1.00 0.00 C ATOM 926 C ASN A 203 -6.111 -3.134 10.405 1.00 0.00 C ATOM 927 O ASN A 203 -6.834 -3.484 11.338 1.00 0.00 O ATOM 928 CB ASN A 203 -8.130 -2.524 9.056 1.00 0.00 C ATOM 929 CG ASN A 203 -9.025 -1.960 10.141 1.00 0.00 C ATOM 930 OD1 ASN A 203 -9.229 -0.749 10.227 1.00 0.00 O ATOM 931 ND2 ASN A 203 -9.565 -2.839 10.978 1.00 0.00 N ATOM 0 H ASN A 203 -5.306 -1.561 7.836 1.00 0.00 H new ATOM 0 HA ASN A 203 -6.544 -1.190 9.638 1.00 0.00 H new ATOM 0 HB2 ASN A 203 -8.425 -2.108 8.093 1.00 0.00 H new ATOM 0 HB3 ASN A 203 -8.273 -3.603 8.995 1.00 0.00 H new ATOM 0 HD21 ASN A 203 -10.176 -2.519 11.729 1.00 0.00 H new ATOM 0 HD22 ASN A 203 -9.368 -3.834 10.869 1.00 0.00 H new ATOM 938 N GLY A 204 -4.838 -3.504 10.301 1.00 0.00 N ATOM 939 CA GLY A 204 -4.233 -4.357 11.308 1.00 0.00 C ATOM 940 C GLY A 204 -4.026 -5.786 10.841 1.00 0.00 C ATOM 941 O GLY A 204 -3.232 -6.522 11.426 1.00 0.00 O ATOM 0 H GLY A 204 -4.217 -3.229 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -3.272 -3.935 11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -4.864 -4.361 12.197 1.00 0.00 H new ATOM 945 N VAL A 205 -4.739 -6.188 9.793 1.00 0.00 N ATOM 946 CA VAL A 205 -4.614 -7.546 9.273 1.00 0.00 C ATOM 947 C VAL A 205 -3.402 -7.678 8.355 1.00 0.00 C ATOM 948 O VAL A 205 -3.471 -7.370 7.165 1.00 0.00 O ATOM 949 CB VAL A 205 -5.881 -7.988 8.514 1.00 0.00 C ATOM 950 CG1 VAL A 205 -7.078 -8.021 9.452 1.00 0.00 C ATOM 951 CG2 VAL A 205 -6.150 -7.076 7.326 1.00 0.00 C ATOM 0 H VAL A 205 -5.404 -5.599 9.291 1.00 0.00 H new ATOM 0 HA VAL A 205 -4.481 -8.198 10.136 1.00 0.00 H new ATOM 0 HB VAL A 205 -5.716 -8.995 8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -7.964 -8.335 8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -6.886 -8.725 10.262 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -7.242 -7.027 9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -7.049 -7.409 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -6.291 -6.054 7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -5.302 -7.111 6.641 1.00 0.00 H new ATOM 961 N CYS A 206 -2.290 -8.138 8.920 1.00 0.00 N ATOM 962 CA CYS A 206 -1.058 -8.311 8.158 1.00 0.00 C ATOM 963 C CYS A 206 -1.025 -9.675 7.478 1.00 0.00 C ATOM 964 O CYS A 206 -0.698 -10.684 8.101 1.00 0.00 O ATOM 965 CB CYS A 206 0.158 -8.156 9.073 1.00 0.00 C ATOM 966 SG CYS A 206 1.745 -8.293 8.218 1.00 0.00 S ATOM 0 H CYS A 206 -2.217 -8.398 9.904 1.00 0.00 H new ATOM 0 HA CYS A 206 -1.026 -7.540 7.388 1.00 0.00 H new ATOM 0 HB2 CYS A 206 0.106 -7.186 9.568 1.00 0.00 H new ATOM 0 HB3 CYS A 206 0.111 -8.915 9.854 1.00 0.00 H new ATOM 0 HG CYS A 206 2.713 -8.146 9.073 1.00 0.00 H new ATOM 972 N MET A 207 -1.365 -9.695 6.193 1.00 0.00 N ATOM 973 CA MET A 207 -1.374 -10.933 5.424 1.00 0.00 C ATOM 974 C MET A 207 -0.610 -10.767 4.115 1.00 0.00 C ATOM 975 O MET A 207 -1.137 -10.228 3.140 1.00 0.00 O ATOM 976 CB MET A 207 -2.811 -11.371 5.140 1.00 0.00 C ATOM 977 CG MET A 207 -3.564 -11.828 6.379 1.00 0.00 C ATOM 978 SD MET A 207 -2.742 -13.190 7.229 1.00 0.00 S ATOM 979 CE MET A 207 -2.897 -12.667 8.935 1.00 0.00 C ATOM 0 H MET A 207 -1.638 -8.867 5.663 1.00 0.00 H new ATOM 0 HA MET A 207 -0.878 -11.703 6.016 1.00 0.00 H new ATOM 0 HB2 MET A 207 -3.351 -10.542 4.682 1.00 0.00 H new ATOM 0 HB3 MET A 207 -2.798 -12.183 4.413 1.00 0.00 H new ATOM 0 HG2 MET A 207 -3.670 -10.988 7.065 1.00 0.00 H new ATOM 0 HG3 MET A 207 -4.570 -12.137 6.095 1.00 0.00 H new ATOM 0 HE1 MET A 207 -2.052 -13.046 9.510 1.00 0.00 H new ATOM 0 HE2 MET A 207 -2.908 -11.578 8.982 1.00 0.00 H new ATOM 0 HE3 MET A 207 -3.825 -13.058 9.352 1.00 0.00 H new ATOM 989 N GLU A 208 0.632 -11.236 4.099 1.00 0.00 N ATOM 990 CA GLU A 208 1.467 -11.143 2.909 1.00 0.00 C ATOM 991 C GLU A 208 0.933 -12.045 1.803 1.00 0.00 C ATOM 992 O GLU A 208 1.103 -13.263 1.845 1.00 0.00 O ATOM 993 CB GLU A 208 2.912 -11.520 3.239 1.00 0.00 C ATOM 994 CG GLU A 208 3.907 -11.098 2.171 1.00 0.00 C ATOM 995 CD GLU A 208 5.328 -11.027 2.695 1.00 0.00 C ATOM 996 OE1 GLU A 208 5.786 -12.015 3.306 1.00 0.00 O ATOM 997 OE2 GLU A 208 5.983 -9.982 2.494 1.00 0.00 O ATOM 0 H GLU A 208 1.082 -11.684 4.897 1.00 0.00 H new ATOM 0 HA GLU A 208 1.443 -10.111 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.192 -11.060 4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 208 2.975 -12.599 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 208 3.864 -11.803 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 208 3.620 -10.123 1.777 1.00 0.00 H new ATOM 1004 N GLY A 209 0.286 -11.437 0.815 1.00 0.00 N ATOM 1005 CA GLY A 209 -0.266 -12.199 -0.290 1.00 0.00 C ATOM 1006 C GLY A 209 -1.778 -12.103 -0.366 1.00 0.00 C ATOM 1007 O GLY A 209 -2.429 -12.957 -0.968 1.00 0.00 O ATOM 0 H GLY A 209 0.134 -10.430 0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 209 0.165 -11.841 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 209 0.023 -13.245 -0.186 1.00 0.00 H new ATOM 1011 N LYS A 210 -2.341 -11.062 0.244 1.00 0.00 N ATOM 1012 CA LYS A 210 -3.787 -10.863 0.239 1.00 0.00 C ATOM 1013 C LYS A 210 -4.336 -10.851 -1.185 1.00 0.00 C ATOM 1014 O LYS A 210 -3.706 -10.326 -2.102 1.00 0.00 O ATOM 1015 CB LYS A 210 -4.144 -9.550 0.945 1.00 0.00 C ATOM 1016 CG LYS A 210 -4.166 -9.638 2.467 1.00 0.00 C ATOM 1017 CD LYS A 210 -5.477 -10.211 2.999 1.00 0.00 C ATOM 1018 CE LYS A 210 -5.723 -11.644 2.550 1.00 0.00 C ATOM 1019 NZ LYS A 210 -4.597 -12.550 2.908 1.00 0.00 N ATOM 0 H LYS A 210 -1.818 -10.345 0.747 1.00 0.00 H new ATOM 0 HA LYS A 210 -4.242 -11.696 0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 210 -3.426 -8.785 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 210 -5.123 -9.220 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 210 -3.337 -10.261 2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 210 -4.010 -8.645 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 210 -5.468 -10.173 4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 210 -6.304 -9.584 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 210 -6.642 -12.013 3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 210 -5.873 -11.663 1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 -4.654 -13.417 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 -3.693 -12.071 2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 -4.656 -12.796 3.917 1.00 0.00 H new ATOM 1033 N GLN A 211 -5.517 -11.437 -1.357 1.00 0.00 N ATOM 1034 CA GLN A 211 -6.160 -11.500 -2.664 1.00 0.00 C ATOM 1035 C GLN A 211 -6.971 -10.238 -2.933 1.00 0.00 C ATOM 1036 O GLN A 211 -7.323 -9.507 -2.008 1.00 0.00 O ATOM 1037 CB GLN A 211 -7.067 -12.729 -2.750 1.00 0.00 C ATOM 1038 CG GLN A 211 -6.370 -14.026 -2.372 1.00 0.00 C ATOM 1039 CD GLN A 211 -5.520 -14.581 -3.499 1.00 0.00 C ATOM 1040 OE1 GLN A 211 -5.936 -15.492 -4.215 1.00 0.00 O ATOM 1041 NE2 GLN A 211 -4.322 -14.033 -3.661 1.00 0.00 N ATOM 0 H GLN A 211 -6.049 -11.876 -0.605 1.00 0.00 H new ATOM 0 HA GLN A 211 -5.380 -11.577 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -7.926 -12.583 -2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -7.452 -12.816 -3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -5.741 -13.855 -1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -7.118 -14.766 -2.087 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.018 -13.280 -3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -3.705 -14.365 -4.403 1.00 0.00 H new ATOM 1050 N HIS A 212 -7.265 -9.987 -4.208 1.00 0.00 N ATOM 1051 CA HIS A 212 -8.039 -8.812 -4.603 1.00 0.00 C ATOM 1052 C HIS A 212 -9.258 -8.630 -3.702 1.00 0.00 C ATOM 1053 O HIS A 212 -9.388 -7.617 -3.015 1.00 0.00 O ATOM 1054 CB HIS A 212 -8.483 -8.937 -6.062 1.00 0.00 C ATOM 1055 CG HIS A 212 -9.184 -7.720 -6.582 1.00 0.00 C ATOM 1056 ND1 HIS A 212 -10.478 -7.743 -7.057 1.00 0.00 N ATOM 1057 CD2 HIS A 212 -8.764 -6.438 -6.700 1.00 0.00 C ATOM 1058 CE1 HIS A 212 -10.824 -6.528 -7.445 1.00 0.00 C ATOM 1059 NE2 HIS A 212 -9.802 -5.718 -7.239 1.00 0.00 N ATOM 0 H HIS A 212 -6.978 -10.582 -4.985 1.00 0.00 H new ATOM 0 HA HIS A 212 -7.400 -7.936 -4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -7.610 -9.136 -6.683 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -9.146 -9.797 -6.159 1.00 0.00 H new ATOM 0 HD2 HIS A 212 -7.794 -6.053 -6.422 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -11.780 -6.246 -7.860 1.00 0.00 H new ATOM 0 HE2 HIS A 212 -9.786 -4.719 -7.446 1.00 0.00 H new ATOM 1068 N GLY A 213 -10.143 -9.622 -3.701 1.00 0.00 N ATOM 1069 CA GLY A 213 -11.332 -9.553 -2.871 1.00 0.00 C ATOM 1070 C GLY A 213 -10.991 -9.386 -1.405 1.00 0.00 C ATOM 1071 O GLY A 213 -11.737 -8.760 -0.652 1.00 0.00 O ATOM 0 H GLY A 213 -10.058 -10.471 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -11.953 -8.718 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -11.921 -10.460 -3.005 1.00 0.00 H new ATOM 1075 N ASP A 214 -9.853 -9.942 -1.003 1.00 0.00 N ATOM 1076 CA ASP A 214 -9.402 -9.847 0.379 1.00 0.00 C ATOM 1077 C ASP A 214 -8.955 -8.425 0.691 1.00 0.00 C ATOM 1078 O ASP A 214 -9.287 -7.873 1.740 1.00 0.00 O ATOM 1079 CB ASP A 214 -8.255 -10.826 0.632 1.00 0.00 C ATOM 1080 CG ASP A 214 -8.744 -12.243 0.861 1.00 0.00 C ATOM 1081 OD1 ASP A 214 -9.511 -12.750 0.017 1.00 0.00 O ATOM 1082 OD2 ASP A 214 -8.358 -12.845 1.885 1.00 0.00 O ATOM 0 H ASP A 214 -9.226 -10.463 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 214 -10.234 -10.106 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 214 -7.575 -10.812 -0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 214 -7.685 -10.497 1.501 1.00 0.00 H new ATOM 1087 N VAL A 215 -8.208 -7.833 -0.235 1.00 0.00 N ATOM 1088 CA VAL A 215 -7.725 -6.470 -0.069 1.00 0.00 C ATOM 1089 C VAL A 215 -8.872 -5.481 -0.224 1.00 0.00 C ATOM 1090 O VAL A 215 -8.958 -4.492 0.502 1.00 0.00 O ATOM 1091 CB VAL A 215 -6.621 -6.132 -1.088 1.00 0.00 C ATOM 1092 CG1 VAL A 215 -6.049 -4.747 -0.822 1.00 0.00 C ATOM 1093 CG2 VAL A 215 -5.524 -7.184 -1.055 1.00 0.00 C ATOM 0 H VAL A 215 -7.925 -8.277 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 215 -7.304 -6.393 0.934 1.00 0.00 H new ATOM 0 HB VAL A 215 -7.063 -6.130 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 215 -5.271 -4.528 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 215 -6.842 -4.004 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 215 -5.624 -4.716 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 215 -4.753 -6.928 -1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 215 -5.085 -7.221 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 215 -5.946 -8.158 -1.302 1.00 0.00 H new ATOM 1103 N VAL A 216 -9.760 -5.765 -1.172 1.00 0.00 N ATOM 1104 CA VAL A 216 -10.913 -4.910 -1.419 1.00 0.00 C ATOM 1105 C VAL A 216 -11.858 -4.931 -0.224 1.00 0.00 C ATOM 1106 O VAL A 216 -12.393 -3.898 0.177 1.00 0.00 O ATOM 1107 CB VAL A 216 -11.680 -5.351 -2.683 1.00 0.00 C ATOM 1108 CG1 VAL A 216 -12.846 -4.412 -2.963 1.00 0.00 C ATOM 1109 CG2 VAL A 216 -10.742 -5.418 -3.879 1.00 0.00 C ATOM 0 H VAL A 216 -9.702 -6.581 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 216 -10.541 -3.897 -1.573 1.00 0.00 H new ATOM 0 HB VAL A 216 -12.084 -6.348 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 216 -13.372 -4.742 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 216 -13.531 -4.420 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 216 -12.470 -3.400 -3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 216 -11.300 -5.731 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 216 -10.306 -4.435 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 216 -9.947 -6.137 -3.678 1.00 0.00 H new ATOM 1119 N SER A 217 -12.055 -6.117 0.345 1.00 0.00 N ATOM 1120 CA SER A 217 -12.932 -6.270 1.501 1.00 0.00 C ATOM 1121 C SER A 217 -12.308 -5.629 2.735 1.00 0.00 C ATOM 1122 O SER A 217 -13.000 -5.016 3.547 1.00 0.00 O ATOM 1123 CB SER A 217 -13.211 -7.749 1.769 1.00 0.00 C ATOM 1124 OG SER A 217 -13.965 -8.326 0.716 1.00 0.00 O ATOM 0 H SER A 217 -11.621 -6.983 0.026 1.00 0.00 H new ATOM 0 HA SER A 217 -13.874 -5.767 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 217 -12.269 -8.285 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 217 -13.753 -7.855 2.709 1.00 0.00 H new ATOM 0 HG SER A 217 -13.358 -8.736 0.065 1.00 0.00 H new ATOM 1130 N ALA A 218 -10.992 -5.775 2.867 1.00 0.00 N ATOM 1131 CA ALA A 218 -10.269 -5.209 4.000 1.00 0.00 C ATOM 1132 C ALA A 218 -10.518 -3.709 4.113 1.00 0.00 C ATOM 1133 O ALA A 218 -10.774 -3.193 5.201 1.00 0.00 O ATOM 1134 CB ALA A 218 -8.780 -5.492 3.867 1.00 0.00 C ATOM 0 H ALA A 218 -10.406 -6.281 2.203 1.00 0.00 H new ATOM 0 HA ALA A 218 -10.637 -5.681 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 218 -8.251 -5.065 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 218 -8.615 -6.569 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 218 -8.406 -5.045 2.946 1.00 0.00 H new ATOM 1140 N ILE A 219 -10.447 -3.016 2.982 1.00 0.00 N ATOM 1141 CA ILE A 219 -10.671 -1.576 2.955 1.00 0.00 C ATOM 1142 C ILE A 219 -12.101 -1.244 3.366 1.00 0.00 C ATOM 1143 O ILE A 219 -12.349 -0.241 4.036 1.00 0.00 O ATOM 1144 CB ILE A 219 -10.393 -0.987 1.557 1.00 0.00 C ATOM 1145 CG1 ILE A 219 -8.971 -1.333 1.109 1.00 0.00 C ATOM 1146 CG2 ILE A 219 -10.601 0.521 1.559 1.00 0.00 C ATOM 1147 CD1 ILE A 219 -7.895 -0.650 1.926 1.00 0.00 C ATOM 0 H ILE A 219 -10.236 -3.428 2.073 1.00 0.00 H new ATOM 0 HA ILE A 219 -9.976 -1.129 3.666 1.00 0.00 H new ATOM 0 HB ILE A 219 -11.097 -1.427 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -8.832 -2.412 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -8.851 -1.056 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -10.400 0.917 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -11.630 0.746 1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -9.922 0.981 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -6.914 -0.942 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -8.008 0.431 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -7.988 -0.947 2.971 1.00 0.00 H new ATOM 1159 N ARG A 220 -13.038 -2.096 2.964 1.00 0.00 N ATOM 1160 CA ARG A 220 -14.443 -1.897 3.294 1.00 0.00 C ATOM 1161 C ARG A 220 -14.664 -2.015 4.798 1.00 0.00 C ATOM 1162 O ARG A 220 -15.416 -1.239 5.389 1.00 0.00 O ATOM 1163 CB ARG A 220 -15.315 -2.916 2.558 1.00 0.00 C ATOM 1164 CG ARG A 220 -16.787 -2.541 2.520 1.00 0.00 C ATOM 1165 CD ARG A 220 -17.664 -3.750 2.239 1.00 0.00 C ATOM 1166 NE ARG A 220 -19.082 -3.399 2.196 1.00 0.00 N ATOM 1167 CZ ARG A 220 -20.070 -4.279 2.339 1.00 0.00 C ATOM 1168 NH1 ARG A 220 -19.801 -5.565 2.533 1.00 0.00 N ATOM 1169 NH2 ARG A 220 -21.331 -3.873 2.287 1.00 0.00 N ATOM 0 H ARG A 220 -12.849 -2.931 2.409 1.00 0.00 H new ATOM 0 HA ARG A 220 -14.727 -0.894 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 220 -14.950 -3.024 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 220 -15.208 -3.888 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 220 -17.074 -2.095 3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 220 -16.951 -1.785 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 220 -17.372 -4.197 1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 220 -17.500 -4.504 3.009 1.00 0.00 H new ATOM 0 HE ARG A 220 -19.329 -2.421 2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 220 -18.833 -5.883 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 220 -20.563 -6.235 2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 220 -21.543 -2.887 2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 220 -22.089 -4.547 2.397 1.00 0.00 H new ATOM 1183 N ALA A 221 -14.002 -2.991 5.412 1.00 0.00 N ATOM 1184 CA ALA A 221 -14.122 -3.213 6.848 1.00 0.00 C ATOM 1185 C ALA A 221 -13.170 -2.316 7.639 1.00 0.00 C ATOM 1186 O ALA A 221 -13.065 -2.437 8.860 1.00 0.00 O ATOM 1187 CB ALA A 221 -13.862 -4.676 7.176 1.00 0.00 C ATOM 0 H ALA A 221 -13.376 -3.641 4.936 1.00 0.00 H new ATOM 0 HA ALA A 221 -15.140 -2.955 7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -13.954 -4.830 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -14.589 -5.300 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -12.856 -4.947 6.856 1.00 0.00 H new ATOM 1193 N GLY A 222 -12.475 -1.418 6.942 1.00 0.00 N ATOM 1194 CA GLY A 222 -11.544 -0.523 7.607 1.00 0.00 C ATOM 1195 C GLY A 222 -12.222 0.685 8.231 1.00 0.00 C ATOM 1196 O GLY A 222 -11.550 1.582 8.740 1.00 0.00 O ATOM 0 H GLY A 222 -12.541 -1.295 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -11.011 -1.073 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -10.799 -0.183 6.887 1.00 0.00 H new ATOM 1200 N GLY A 223 -13.552 0.714 8.195 1.00 0.00 N ATOM 1201 CA GLY A 223 -14.288 1.828 8.768 1.00 0.00 C ATOM 1202 C GLY A 223 -13.778 3.177 8.295 1.00 0.00 C ATOM 1203 O GLY A 223 -13.442 3.344 7.122 1.00 0.00 O ATOM 0 H GLY A 223 -14.133 -0.014 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -15.342 1.732 8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -14.221 1.781 9.855 1.00 0.00 H new ATOM 1207 N ASP A 224 -13.723 4.142 9.209 1.00 0.00 N ATOM 1208 CA ASP A 224 -13.254 5.483 8.878 1.00 0.00 C ATOM 1209 C ASP A 224 -11.729 5.552 8.894 1.00 0.00 C ATOM 1210 O ASP A 224 -11.131 6.393 8.224 1.00 0.00 O ATOM 1211 CB ASP A 224 -13.830 6.504 9.860 1.00 0.00 C ATOM 1212 CG ASP A 224 -15.346 6.479 9.896 1.00 0.00 C ATOM 1213 OD1 ASP A 224 -15.912 5.469 10.363 1.00 0.00 O ATOM 1214 OD2 ASP A 224 -15.966 7.470 9.458 1.00 0.00 O ATOM 0 H ASP A 224 -13.997 4.020 10.184 1.00 0.00 H new ATOM 0 HA ASP A 224 -13.598 5.719 7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 224 -13.442 6.303 10.859 1.00 0.00 H new ATOM 0 HB3 ASP A 224 -13.492 7.502 9.582 1.00 0.00 H new ATOM 1219 N GLU A 225 -11.105 4.660 9.658 1.00 0.00 N ATOM 1220 CA GLU A 225 -9.650 4.621 9.754 1.00 0.00 C ATOM 1221 C GLU A 225 -9.112 3.312 9.188 1.00 0.00 C ATOM 1222 O GLU A 225 -9.377 2.237 9.726 1.00 0.00 O ATOM 1223 CB GLU A 225 -9.207 4.783 11.209 1.00 0.00 C ATOM 1224 CG GLU A 225 -7.762 5.230 11.360 1.00 0.00 C ATOM 1225 CD GLU A 225 -7.466 5.790 12.737 1.00 0.00 C ATOM 1226 OE1 GLU A 225 -8.146 5.384 13.703 1.00 0.00 O ATOM 1227 OE2 GLU A 225 -6.553 6.636 12.850 1.00 0.00 O ATOM 0 H GLU A 225 -11.584 3.955 10.219 1.00 0.00 H new ATOM 0 HA GLU A 225 -9.246 5.447 9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 225 -9.856 5.509 11.699 1.00 0.00 H new ATOM 0 HB3 GLU A 225 -9.341 3.834 11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 225 -7.102 4.385 11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 225 -7.539 5.987 10.608 1.00 0.00 H new ATOM 1234 N THR A 226 -8.360 3.407 8.096 1.00 0.00 N ATOM 1235 CA THR A 226 -7.796 2.224 7.457 1.00 0.00 C ATOM 1236 C THR A 226 -6.278 2.182 7.602 1.00 0.00 C ATOM 1237 O THR A 226 -5.551 2.790 6.817 1.00 0.00 O ATOM 1238 CB THR A 226 -8.177 2.189 5.977 1.00 0.00 C ATOM 1239 OG1 THR A 226 -9.566 2.413 5.812 1.00 0.00 O ATOM 1240 CG2 THR A 226 -7.841 0.877 5.302 1.00 0.00 C ATOM 0 H THR A 226 -8.128 4.288 7.637 1.00 0.00 H new ATOM 0 HA THR A 226 -8.209 1.348 7.957 1.00 0.00 H new ATOM 0 HB THR A 226 -7.590 2.980 5.510 1.00 0.00 H new ATOM 0 HG1 THR A 226 -9.767 2.532 4.860 1.00 0.00 H new ATOM 0 HG21 THR A 226 -8.138 0.921 4.254 1.00 0.00 H new ATOM 0 HG22 THR A 226 -6.768 0.698 5.368 1.00 0.00 H new ATOM 0 HG23 THR A 226 -8.375 0.066 5.797 1.00 0.00 H new ATOM 1248 N LYS A 227 -5.805 1.447 8.605 1.00 0.00 N ATOM 1249 CA LYS A 227 -4.373 1.311 8.845 1.00 0.00 C ATOM 1250 C LYS A 227 -3.752 0.402 7.792 1.00 0.00 C ATOM 1251 O LYS A 227 -3.810 -0.823 7.902 1.00 0.00 O ATOM 1252 CB LYS A 227 -4.115 0.743 10.242 1.00 0.00 C ATOM 1253 CG LYS A 227 -5.040 1.304 11.309 1.00 0.00 C ATOM 1254 CD LYS A 227 -4.464 1.114 12.703 1.00 0.00 C ATOM 1255 CE LYS A 227 -5.543 1.205 13.769 1.00 0.00 C ATOM 1256 NZ LYS A 227 -6.204 2.539 13.778 1.00 0.00 N ATOM 0 H LYS A 227 -6.393 0.937 9.264 1.00 0.00 H new ATOM 0 HA LYS A 227 -3.915 2.298 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -4.226 -0.341 10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -3.082 0.949 10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -5.208 2.365 11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -6.011 0.812 11.245 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -3.971 0.144 12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -3.702 1.871 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -6.290 0.431 13.596 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -5.104 1.011 14.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -6.873 2.589 14.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -5.484 3.282 13.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -6.717 2.678 12.884 1.00 0.00 H new ATOM 1270 N LEU A 228 -3.177 1.007 6.760 1.00 0.00 N ATOM 1271 CA LEU A 228 -2.567 0.248 5.676 1.00 0.00 C ATOM 1272 C LEU A 228 -1.044 0.275 5.747 1.00 0.00 C ATOM 1273 O LEU A 228 -0.434 1.336 5.879 1.00 0.00 O ATOM 1274 CB LEU A 228 -3.024 0.802 4.326 1.00 0.00 C ATOM 1275 CG LEU A 228 -4.537 0.792 4.098 1.00 0.00 C ATOM 1276 CD1 LEU A 228 -4.869 1.291 2.700 1.00 0.00 C ATOM 1277 CD2 LEU A 228 -5.098 -0.604 4.315 1.00 0.00 C ATOM 0 H LEU A 228 -3.120 2.020 6.651 1.00 0.00 H new ATOM 0 HA LEU A 228 -2.890 -0.788 5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -2.665 1.827 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -2.549 0.223 3.534 1.00 0.00 H new ATOM 0 HG LEU A 228 -4.999 1.464 4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -5.949 1.277 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -4.500 2.310 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -4.396 0.644 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -6.175 -0.593 4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -4.630 -1.297 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -4.892 -0.924 5.336 1.00 0.00 H new ATOM 1289 N LEU A 229 -0.439 -0.902 5.631 1.00 0.00 N ATOM 1290 CA LEU A 229 1.013 -1.027 5.650 1.00 0.00 C ATOM 1291 C LEU A 229 1.505 -1.399 4.257 1.00 0.00 C ATOM 1292 O LEU A 229 1.272 -2.512 3.789 1.00 0.00 O ATOM 1293 CB LEU A 229 1.444 -2.096 6.658 1.00 0.00 C ATOM 1294 CG LEU A 229 2.939 -2.123 6.985 1.00 0.00 C ATOM 1295 CD1 LEU A 229 3.286 -1.046 8.002 1.00 0.00 C ATOM 1296 CD2 LEU A 229 3.344 -3.497 7.498 1.00 0.00 C ATOM 0 H LEU A 229 -0.935 -1.787 5.522 1.00 0.00 H new ATOM 0 HA LEU A 229 1.449 -0.074 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 229 0.889 -1.943 7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 229 1.156 -3.074 6.271 1.00 0.00 H new ATOM 0 HG LEU A 229 3.496 -1.918 6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 229 4.353 -1.082 8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 229 3.032 -0.067 7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 229 2.722 -1.216 8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 229 4.410 -3.501 7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 229 2.779 -3.730 8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 229 3.134 -4.247 6.735 1.00 0.00 H new ATOM 1308 N VAL A 230 2.167 -0.463 3.588 1.00 0.00 N ATOM 1309 CA VAL A 230 2.662 -0.708 2.240 1.00 0.00 C ATOM 1310 C VAL A 230 4.178 -0.584 2.160 1.00 0.00 C ATOM 1311 O VAL A 230 4.827 -0.123 3.098 1.00 0.00 O ATOM 1312 CB VAL A 230 2.025 0.263 1.226 1.00 0.00 C ATOM 1313 CG1 VAL A 230 0.519 0.059 1.165 1.00 0.00 C ATOM 1314 CG2 VAL A 230 2.361 1.704 1.582 1.00 0.00 C ATOM 0 H VAL A 230 2.372 0.467 3.954 1.00 0.00 H new ATOM 0 HA VAL A 230 2.380 -1.731 1.990 1.00 0.00 H new ATOM 0 HB VAL A 230 2.438 0.051 0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 230 0.087 0.753 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 230 0.303 -0.964 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 230 0.087 0.242 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 230 1.903 2.375 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 230 1.979 1.932 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 230 3.442 1.839 1.569 1.00 0.00 H new ATOM 1324 N VAL A 231 4.732 -0.995 1.024 1.00 0.00 N ATOM 1325 CA VAL A 231 6.170 -0.931 0.802 1.00 0.00 C ATOM 1326 C VAL A 231 6.491 -0.048 -0.398 1.00 0.00 C ATOM 1327 O VAL A 231 5.652 0.150 -1.276 1.00 0.00 O ATOM 1328 CB VAL A 231 6.768 -2.332 0.568 1.00 0.00 C ATOM 1329 CG1 VAL A 231 8.288 -2.275 0.589 1.00 0.00 C ATOM 1330 CG2 VAL A 231 6.249 -3.314 1.607 1.00 0.00 C ATOM 0 H VAL A 231 4.203 -1.377 0.240 1.00 0.00 H new ATOM 0 HA VAL A 231 6.614 -0.504 1.701 1.00 0.00 H new ATOM 0 HB VAL A 231 6.455 -2.681 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 231 8.692 -3.274 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 231 8.638 -1.606 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 231 8.625 -1.905 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 231 6.682 -4.298 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 231 6.530 -2.972 2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 231 5.163 -3.377 1.538 1.00 0.00 H new ATOM 1340 N ASP A 232 7.706 0.487 -0.428 1.00 0.00 N ATOM 1341 CA ASP A 232 8.129 1.356 -1.520 1.00 0.00 C ATOM 1342 C ASP A 232 8.823 0.563 -2.622 1.00 0.00 C ATOM 1343 O ASP A 232 9.921 0.040 -2.429 1.00 0.00 O ATOM 1344 CB ASP A 232 9.066 2.443 -0.995 1.00 0.00 C ATOM 1345 CG ASP A 232 9.473 3.431 -2.072 1.00 0.00 C ATOM 1346 OD1 ASP A 232 9.083 3.230 -3.242 1.00 0.00 O ATOM 1347 OD2 ASP A 232 10.184 4.404 -1.746 1.00 0.00 O ATOM 0 H ASP A 232 8.415 0.335 0.290 1.00 0.00 H new ATOM 0 HA ASP A 232 7.238 1.819 -1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 232 8.576 2.979 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 232 9.959 1.978 -0.578 1.00 0.00 H new ATOM 1352 N ARG A 233 8.178 0.485 -3.781 1.00 0.00 N ATOM 1353 CA ARG A 233 8.733 -0.235 -4.921 1.00 0.00 C ATOM 1354 C ARG A 233 9.372 0.732 -5.914 1.00 0.00 C ATOM 1355 O ARG A 233 10.269 0.358 -6.670 1.00 0.00 O ATOM 1356 CB ARG A 233 7.643 -1.051 -5.618 1.00 0.00 C ATOM 1357 CG ARG A 233 8.151 -1.857 -6.802 1.00 0.00 C ATOM 1358 CD ARG A 233 7.020 -2.244 -7.741 1.00 0.00 C ATOM 1359 NE ARG A 233 7.345 -3.428 -8.533 1.00 0.00 N ATOM 1360 CZ ARG A 233 6.737 -3.748 -9.674 1.00 0.00 C ATOM 1361 NH1 ARG A 233 5.768 -2.980 -10.156 1.00 0.00 N ATOM 1362 NH2 ARG A 233 7.099 -4.840 -10.333 1.00 0.00 N ATOM 0 H ARG A 233 7.269 0.913 -3.956 1.00 0.00 H new ATOM 0 HA ARG A 233 9.502 -0.913 -4.551 1.00 0.00 H new ATOM 0 HB2 ARG A 233 7.190 -1.729 -4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 233 6.857 -0.377 -5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 233 8.894 -1.275 -7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 233 8.651 -2.757 -6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.116 -2.433 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 233 6.802 -1.410 -8.408 1.00 0.00 H new ATOM 0 HE ARG A 233 8.081 -4.046 -8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 233 5.485 -2.139 -9.652 1.00 0.00 H new ATOM 0 HH12 ARG A 233 5.306 -3.230 -11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 233 7.842 -5.434 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 233 6.634 -5.086 -11.207 1.00 0.00 H new