USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 553 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 196 CYS SG : rot 180:sc= -1.52 USER MOD Set 1.2: A 221 MET CE :methyl -103:sc= -3.29! (180deg=-6.22!) USER MOD Set 2.1: A 208 THR OG1 : rot 180:sc= -1.84 USER MOD Set 2.2: A 209 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 182 GLN : amide:sc= -2.54 K(o=-2.5,f=-4.9!) USER MOD Set 3.2: A 193 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 181 THR OG1 : rot 180:sc=-0.000536 USER MOD Set 4.2: A 195 THR OG1 : rot 64:sc= -1.67 USER MOD Single : A 159 ASN : amide:sc= -0.903 K(o=-0.9,f=0.86) USER MOD Single : A 165 GLN : amide:sc= -0.377 K(o=-0.38,f=-6!) USER MOD Single : A 170 GLN : amide:sc= -2.03! X(o=-2!,f=-2) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 TYR OH : rot 180:sc= -0.664 USER MOD Single : A 179 THR OG1 : rot 59:sc= -0.256 USER MOD Single : A 184 SER OG : rot 180:sc= -0.0882 USER MOD Single : A 188 HIS : no HE2:sc= -6.13! C(o=-6.1!,f=-8.3!) USER MOD Single : A 190 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0369) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 206 SER OG : rot 180:sc= 0 USER MOD Single : A 210 LYS NZ :NH3+ -113:sc= 1.67 (180deg=-0.571) USER MOD Single : A 211 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0127) USER MOD Single : A 216 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.27) USER MOD Single : A 220 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0263) USER MOD ----------------------------------------------------------------- ATOM 192 N ASN A 159 9.458 4.760 0.414 1.00 0.00 N ATOM 193 CA ASN A 159 8.648 3.583 0.709 1.00 0.00 C ATOM 194 C ASN A 159 7.189 3.817 0.325 1.00 0.00 C ATOM 195 O ASN A 159 6.658 4.921 0.449 1.00 0.00 O ATOM 196 CB ASN A 159 8.745 3.229 2.194 1.00 0.00 C ATOM 197 CG ASN A 159 8.423 4.409 3.092 1.00 0.00 C ATOM 198 OD1 ASN A 159 8.731 5.555 2.764 1.00 0.00 O ATOM 199 ND2 ASN A 159 7.800 4.132 4.231 1.00 0.00 N ATOM 0 HA ASN A 159 9.033 2.751 0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 159 8.060 2.410 2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 159 9.751 2.872 2.415 1.00 0.00 H new ATOM 0 HD21 ASN A 159 7.557 4.884 4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 159 7.564 3.167 4.462 1.00 0.00 H new ATOM 206 N PRO A 160 6.525 2.754 -0.152 1.00 0.00 N ATOM 207 CA PRO A 160 5.119 2.818 -0.562 1.00 0.00 C ATOM 208 C PRO A 160 4.177 2.998 0.623 1.00 0.00 C ATOM 209 O PRO A 160 3.318 3.880 0.618 1.00 0.00 O ATOM 210 CB PRO A 160 4.884 1.462 -1.232 1.00 0.00 C ATOM 211 CG PRO A 160 5.891 0.554 -0.615 1.00 0.00 C ATOM 212 CD PRO A 160 7.096 1.408 -0.327 1.00 0.00 C ATOM 0 HA PRO A 160 4.922 3.670 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 160 3.869 1.105 -1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 160 5.018 1.526 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 160 5.503 0.105 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 160 6.144 -0.264 -1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 160 7.621 1.074 0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 160 7.814 1.379 -1.146 1.00 0.00 H new ATOM 220 N VAL A 161 4.344 2.156 1.638 1.00 0.00 N ATOM 221 CA VAL A 161 3.509 2.223 2.832 1.00 0.00 C ATOM 222 C VAL A 161 3.474 3.638 3.399 1.00 0.00 C ATOM 223 O VAL A 161 2.421 4.131 3.802 1.00 0.00 O ATOM 224 CB VAL A 161 4.009 1.257 3.922 1.00 0.00 C ATOM 225 CG1 VAL A 161 3.105 1.317 5.144 1.00 0.00 C ATOM 226 CG2 VAL A 161 4.092 -0.161 3.379 1.00 0.00 C ATOM 0 H VAL A 161 5.050 1.420 1.657 1.00 0.00 H new ATOM 0 HA VAL A 161 2.503 1.930 2.532 1.00 0.00 H new ATOM 0 HB VAL A 161 5.010 1.565 4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 161 3.474 0.628 5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 161 3.102 2.331 5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 161 2.091 1.036 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 161 4.447 -0.830 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 161 3.105 -0.482 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 161 4.784 -0.188 2.537 1.00 0.00 H new ATOM 236 N GLY A 162 4.633 4.288 3.426 1.00 0.00 N ATOM 237 CA GLY A 162 4.714 5.641 3.946 1.00 0.00 C ATOM 238 C GLY A 162 4.183 6.670 2.968 1.00 0.00 C ATOM 239 O GLY A 162 3.858 7.792 3.353 1.00 0.00 O ATOM 0 H GLY A 162 5.518 3.902 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.150 5.704 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 162 5.752 5.873 4.186 1.00 0.00 H new ATOM 243 N ALA A 163 4.095 6.287 1.698 1.00 0.00 N ATOM 244 CA ALA A 163 3.599 7.184 0.662 1.00 0.00 C ATOM 245 C ALA A 163 2.075 7.167 0.604 1.00 0.00 C ATOM 246 O ALA A 163 1.428 8.210 0.708 1.00 0.00 O ATOM 247 CB ALA A 163 4.185 6.805 -0.690 1.00 0.00 C ATOM 0 H ALA A 163 4.361 5.361 1.362 1.00 0.00 H new ATOM 0 HA ALA A 163 3.916 8.197 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 163 3.806 7.484 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 163 5.272 6.877 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 163 3.898 5.783 -0.937 1.00 0.00 H new ATOM 253 N LEU A 164 1.508 5.978 0.437 1.00 0.00 N ATOM 254 CA LEU A 164 0.059 5.825 0.364 1.00 0.00 C ATOM 255 C LEU A 164 -0.626 6.582 1.497 1.00 0.00 C ATOM 256 O LEU A 164 -1.678 7.190 1.303 1.00 0.00 O ATOM 257 CB LEU A 164 -0.321 4.344 0.422 1.00 0.00 C ATOM 258 CG LEU A 164 -1.713 3.988 -0.100 1.00 0.00 C ATOM 259 CD1 LEU A 164 -1.802 4.238 -1.598 1.00 0.00 C ATOM 260 CD2 LEU A 164 -2.048 2.539 0.221 1.00 0.00 C ATOM 0 H LEU A 164 2.029 5.106 0.350 1.00 0.00 H new ATOM 0 HA LEU A 164 -0.278 6.243 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 164 0.415 3.778 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -0.247 4.011 1.457 1.00 0.00 H new ATOM 0 HG LEU A 164 -2.441 4.628 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -2.800 3.979 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -1.606 5.290 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -1.064 3.624 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -3.042 2.303 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -1.315 1.883 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -2.027 2.391 1.301 1.00 0.00 H new ATOM 272 N GLN A 165 -0.021 6.542 2.680 1.00 0.00 N ATOM 273 CA GLN A 165 -0.572 7.226 3.843 1.00 0.00 C ATOM 274 C GLN A 165 -0.740 8.717 3.570 1.00 0.00 C ATOM 275 O GLN A 165 -1.643 9.358 4.107 1.00 0.00 O ATOM 276 CB GLN A 165 0.332 7.018 5.060 1.00 0.00 C ATOM 277 CG GLN A 165 -0.054 7.870 6.258 1.00 0.00 C ATOM 278 CD GLN A 165 -1.313 7.378 6.943 1.00 0.00 C ATOM 279 OE1 GLN A 165 -1.251 6.683 7.958 1.00 0.00 O ATOM 280 NE2 GLN A 165 -2.467 7.736 6.391 1.00 0.00 N ATOM 0 H GLN A 165 0.851 6.043 2.858 1.00 0.00 H new ATOM 0 HA GLN A 165 -1.554 6.800 4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 165 0.303 5.967 5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.361 7.244 4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 165 0.767 7.875 6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -0.200 8.900 5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -2.473 8.313 5.550 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -3.347 7.434 6.808 1.00 0.00 H new ATOM 289 N GLU A 166 0.136 9.262 2.731 1.00 0.00 N ATOM 290 CA GLU A 166 0.084 10.679 2.388 1.00 0.00 C ATOM 291 C GLU A 166 -0.976 10.942 1.323 1.00 0.00 C ATOM 292 O GLU A 166 -1.773 11.874 1.440 1.00 0.00 O ATOM 293 CB GLU A 166 1.450 11.156 1.892 1.00 0.00 C ATOM 294 CG GLU A 166 2.522 11.160 2.969 1.00 0.00 C ATOM 295 CD GLU A 166 2.431 12.371 3.878 1.00 0.00 C ATOM 296 OE1 GLU A 166 1.854 13.392 3.449 1.00 0.00 O ATOM 297 OE2 GLU A 166 2.937 12.297 5.017 1.00 0.00 O ATOM 0 H GLU A 166 0.889 8.745 2.277 1.00 0.00 H new ATOM 0 HA GLU A 166 -0.183 11.235 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 166 1.773 10.515 1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 166 1.349 12.163 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 166 2.434 10.253 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 166 3.505 11.137 2.498 1.00 0.00 H new ATOM 304 N LEU A 167 -0.980 10.115 0.283 1.00 0.00 N ATOM 305 CA LEU A 167 -1.942 10.257 -0.805 1.00 0.00 C ATOM 306 C LEU A 167 -3.372 10.185 -0.280 1.00 0.00 C ATOM 307 O LEU A 167 -4.215 11.010 -0.630 1.00 0.00 O ATOM 308 CB LEU A 167 -1.717 9.169 -1.856 1.00 0.00 C ATOM 309 CG LEU A 167 -0.259 8.828 -2.169 1.00 0.00 C ATOM 310 CD1 LEU A 167 -0.161 8.043 -3.468 1.00 0.00 C ATOM 311 CD2 LEU A 167 0.580 10.095 -2.244 1.00 0.00 C ATOM 0 H LEU A 167 -0.328 9.339 0.170 1.00 0.00 H new ATOM 0 HA LEU A 167 -1.792 11.234 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -2.218 8.260 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -2.203 9.479 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 167 0.130 8.206 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 167 0.884 7.810 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -0.729 7.117 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -0.568 8.639 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 167 1.614 9.834 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 167 0.191 10.743 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 167 0.536 10.618 -1.288 1.00 0.00 H new ATOM 323 N VAL A 168 -3.638 9.194 0.565 1.00 0.00 N ATOM 324 CA VAL A 168 -4.965 9.016 1.141 1.00 0.00 C ATOM 325 C VAL A 168 -5.420 10.274 1.872 1.00 0.00 C ATOM 326 O VAL A 168 -6.508 10.792 1.619 1.00 0.00 O ATOM 327 CB VAL A 168 -4.997 7.827 2.120 1.00 0.00 C ATOM 328 CG1 VAL A 168 -4.873 6.511 1.368 1.00 0.00 C ATOM 329 CG2 VAL A 168 -3.894 7.963 3.159 1.00 0.00 C ATOM 0 H VAL A 168 -2.952 8.502 0.866 1.00 0.00 H new ATOM 0 HA VAL A 168 -5.645 8.814 0.313 1.00 0.00 H new ATOM 0 HB VAL A 168 -5.956 7.832 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 168 -4.898 5.683 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 168 -5.702 6.413 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 168 -3.931 6.492 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 168 -3.931 7.115 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 168 -2.925 7.985 2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 168 -4.034 8.887 3.720 1.00 0.00 H new ATOM 339 N VAL A 169 -4.580 10.762 2.779 1.00 0.00 N ATOM 340 CA VAL A 169 -4.895 11.961 3.546 1.00 0.00 C ATOM 341 C VAL A 169 -5.235 13.128 2.626 1.00 0.00 C ATOM 342 O VAL A 169 -6.325 13.694 2.703 1.00 0.00 O ATOM 343 CB VAL A 169 -3.723 12.366 4.460 1.00 0.00 C ATOM 344 CG1 VAL A 169 -3.937 13.767 5.014 1.00 0.00 C ATOM 345 CG2 VAL A 169 -3.553 11.358 5.586 1.00 0.00 C ATOM 0 H VAL A 169 -3.676 10.345 3.001 1.00 0.00 H new ATOM 0 HA VAL A 169 -5.762 11.724 4.163 1.00 0.00 H new ATOM 0 HB VAL A 169 -2.808 12.372 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -3.099 14.036 5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -4.005 14.478 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -4.861 13.793 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -2.721 11.660 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -4.467 11.317 6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -3.350 10.373 5.165 1.00 0.00 H new ATOM 355 N GLN A 170 -4.294 13.483 1.757 1.00 0.00 N ATOM 356 CA GLN A 170 -4.494 14.583 0.821 1.00 0.00 C ATOM 357 C GLN A 170 -5.767 14.380 0.006 1.00 0.00 C ATOM 358 O GLN A 170 -6.555 15.308 -0.177 1.00 0.00 O ATOM 359 CB GLN A 170 -3.290 14.712 -0.113 1.00 0.00 C ATOM 360 CG GLN A 170 -3.057 13.483 -0.977 1.00 0.00 C ATOM 361 CD GLN A 170 -1.939 13.680 -1.983 1.00 0.00 C ATOM 362 OE1 GLN A 170 -1.176 14.642 -1.899 1.00 0.00 O ATOM 363 NE2 GLN A 170 -1.837 12.766 -2.941 1.00 0.00 N ATOM 0 H GLN A 170 -3.386 13.025 1.682 1.00 0.00 H new ATOM 0 HA GLN A 170 -4.597 15.503 1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 170 -3.433 15.578 -0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 170 -2.397 14.902 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 170 -2.819 12.633 -0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 170 -3.977 13.236 -1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 170 -2.492 11.985 -2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 170 -1.104 12.845 -3.646 1.00 0.00 H new ATOM 372 N LYS A 171 -5.961 13.160 -0.483 1.00 0.00 N ATOM 373 CA LYS A 171 -7.138 12.832 -1.279 1.00 0.00 C ATOM 374 C LYS A 171 -8.397 12.838 -0.417 1.00 0.00 C ATOM 375 O LYS A 171 -9.500 13.059 -0.914 1.00 0.00 O ATOM 376 CB LYS A 171 -6.967 11.464 -1.942 1.00 0.00 C ATOM 377 CG LYS A 171 -6.057 11.486 -3.158 1.00 0.00 C ATOM 378 CD LYS A 171 -6.413 10.383 -4.141 1.00 0.00 C ATOM 379 CE LYS A 171 -7.450 10.850 -5.151 1.00 0.00 C ATOM 380 NZ LYS A 171 -6.832 11.627 -6.261 1.00 0.00 N ATOM 0 H LYS A 171 -5.318 12.381 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 171 -7.245 13.592 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 171 -6.565 10.763 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 171 -7.946 11.088 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -6.133 12.454 -3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -5.021 11.371 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 171 -5.514 10.057 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 171 -6.796 9.519 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 171 -7.974 9.986 -5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -8.196 11.466 -4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 -7.571 11.927 -6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 -6.354 12.465 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 -6.139 11.032 -6.758 1.00 0.00 H new ATOM 394 N GLY A 172 -8.223 12.594 0.878 1.00 0.00 N ATOM 395 CA GLY A 172 -9.353 12.577 1.789 1.00 0.00 C ATOM 396 C GLY A 172 -9.952 11.193 1.943 1.00 0.00 C ATOM 397 O GLY A 172 -11.166 11.020 1.838 1.00 0.00 O ATOM 0 H GLY A 172 -7.319 12.408 1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 172 -9.034 12.942 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 172 -10.119 13.263 1.426 1.00 0.00 H new ATOM 401 N TRP A 173 -9.099 10.206 2.191 1.00 0.00 N ATOM 402 CA TRP A 173 -9.552 8.829 2.358 1.00 0.00 C ATOM 403 C TRP A 173 -9.113 8.272 3.708 1.00 0.00 C ATOM 404 O TRP A 173 -8.435 8.951 4.479 1.00 0.00 O ATOM 405 CB TRP A 173 -9.009 7.951 1.229 1.00 0.00 C ATOM 406 CG TRP A 173 -9.595 8.278 -0.111 1.00 0.00 C ATOM 407 CD1 TRP A 173 -10.796 8.880 -0.356 1.00 0.00 C ATOM 408 CD2 TRP A 173 -9.006 8.018 -1.390 1.00 0.00 C ATOM 409 NE1 TRP A 173 -10.989 9.010 -1.710 1.00 0.00 N ATOM 410 CE2 TRP A 173 -9.905 8.490 -2.366 1.00 0.00 C ATOM 411 CE3 TRP A 173 -7.806 7.435 -1.805 1.00 0.00 C ATOM 412 CZ2 TRP A 173 -9.640 8.394 -3.730 1.00 0.00 C ATOM 413 CZ3 TRP A 173 -7.544 7.341 -3.159 1.00 0.00 C ATOM 414 CH2 TRP A 173 -8.458 7.819 -4.108 1.00 0.00 C ATOM 0 H TRP A 173 -8.091 10.333 2.281 1.00 0.00 H new ATOM 0 HA TRP A 173 -10.641 8.824 2.320 1.00 0.00 H new ATOM 0 HB2 TRP A 173 -7.926 8.062 1.181 1.00 0.00 H new ATOM 0 HB3 TRP A 173 -9.212 6.906 1.461 1.00 0.00 H new ATOM 0 HD1 TRP A 173 -11.492 9.206 0.403 1.00 0.00 H new ATOM 0 HE1 TRP A 173 -11.807 9.426 -2.155 1.00 0.00 H new ATOM 0 HE3 TRP A 173 -7.096 7.064 -1.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 -10.343 8.761 -4.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 -6.620 6.892 -3.491 1.00 0.00 H new ATOM 0 HH2 TRP A 173 -8.224 7.732 -5.159 1.00 0.00 H new ATOM 425 N ARG A 174 -9.504 7.033 3.987 1.00 0.00 N ATOM 426 CA ARG A 174 -9.152 6.386 5.245 1.00 0.00 C ATOM 427 C ARG A 174 -7.967 5.442 5.057 1.00 0.00 C ATOM 428 O ARG A 174 -7.698 4.979 3.948 1.00 0.00 O ATOM 429 CB ARG A 174 -10.350 5.613 5.799 1.00 0.00 C ATOM 430 CG ARG A 174 -11.511 6.503 6.210 1.00 0.00 C ATOM 431 CD ARG A 174 -12.429 5.800 7.199 1.00 0.00 C ATOM 432 NE ARG A 174 -13.473 6.688 7.703 1.00 0.00 N ATOM 433 CZ ARG A 174 -14.518 7.078 6.982 1.00 0.00 C ATOM 434 NH1 ARG A 174 -14.657 6.659 5.731 1.00 0.00 N ATOM 435 NH2 ARG A 174 -15.426 7.887 7.511 1.00 0.00 N ATOM 0 H ARG A 174 -10.065 6.457 3.359 1.00 0.00 H new ATOM 0 HA ARG A 174 -8.869 7.161 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 174 -10.695 4.905 5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 174 -10.028 5.029 6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -11.127 7.420 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -12.080 6.792 5.326 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -12.889 4.937 6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -11.840 5.422 8.035 1.00 0.00 H new ATOM 0 HE ARG A 174 -13.395 7.027 8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -13.961 6.036 5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -15.460 6.960 5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -15.322 8.211 8.473 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -16.228 8.186 6.956 1.00 0.00 H new ATOM 449 N LEU A 175 -7.262 5.162 6.148 1.00 0.00 N ATOM 450 CA LEU A 175 -6.105 4.274 6.105 1.00 0.00 C ATOM 451 C LEU A 175 -6.362 3.090 5.178 1.00 0.00 C ATOM 452 O LEU A 175 -7.474 2.569 5.090 1.00 0.00 O ATOM 453 CB LEU A 175 -5.769 3.773 7.510 1.00 0.00 C ATOM 454 CG LEU A 175 -5.037 4.761 8.418 1.00 0.00 C ATOM 455 CD1 LEU A 175 -5.185 4.357 9.877 1.00 0.00 C ATOM 456 CD2 LEU A 175 -3.567 4.849 8.034 1.00 0.00 C ATOM 0 H LEU A 175 -7.471 5.537 7.073 1.00 0.00 H new ATOM 0 HA LEU A 175 -5.258 4.839 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 175 -6.697 3.479 8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 175 -5.159 2.875 7.417 1.00 0.00 H new ATOM 0 HG LEU A 175 -5.486 5.746 8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 175 -4.657 5.072 10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 175 -6.241 4.346 10.146 1.00 0.00 H new ATOM 0 HD13 LEU A 175 -4.763 3.363 10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 175 -3.061 5.557 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 175 -3.105 3.867 8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 175 -3.480 5.186 7.001 1.00 0.00 H new ATOM 468 N PRO A 176 -5.310 2.654 4.470 1.00 0.00 N ATOM 469 CA PRO A 176 -5.396 1.524 3.539 1.00 0.00 C ATOM 470 C PRO A 176 -5.589 0.194 4.258 1.00 0.00 C ATOM 471 O PRO A 176 -5.084 -0.004 5.362 1.00 0.00 O ATOM 472 CB PRO A 176 -4.045 1.553 2.821 1.00 0.00 C ATOM 473 CG PRO A 176 -3.121 2.223 3.778 1.00 0.00 C ATOM 474 CD PRO A 176 -3.955 3.228 4.524 1.00 0.00 C ATOM 0 HA PRO A 176 -6.252 1.611 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 176 -3.703 0.546 2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 176 -4.108 2.102 1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 176 -2.676 1.500 4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 176 -2.300 2.711 3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 176 -3.612 3.352 5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 176 -3.916 4.211 4.054 1.00 0.00 H new ATOM 482 N GLU A 177 -6.323 -0.715 3.624 1.00 0.00 N ATOM 483 CA GLU A 177 -6.582 -2.027 4.205 1.00 0.00 C ATOM 484 C GLU A 177 -5.607 -3.066 3.659 1.00 0.00 C ATOM 485 O GLU A 177 -5.265 -3.052 2.477 1.00 0.00 O ATOM 486 CB GLU A 177 -8.021 -2.462 3.918 1.00 0.00 C ATOM 487 CG GLU A 177 -8.604 -3.378 4.980 1.00 0.00 C ATOM 488 CD GLU A 177 -8.128 -4.811 4.840 1.00 0.00 C ATOM 489 OE1 GLU A 177 -8.055 -5.302 3.694 1.00 0.00 O ATOM 490 OE2 GLU A 177 -7.828 -5.441 5.876 1.00 0.00 O ATOM 0 H GLU A 177 -6.748 -0.567 2.709 1.00 0.00 H new ATOM 0 HA GLU A 177 -6.441 -1.952 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -8.649 -1.575 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -8.052 -2.971 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -8.332 -3.003 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -9.692 -3.353 4.919 1.00 0.00 H new ATOM 497 N TYR A 178 -5.163 -3.967 4.529 1.00 0.00 N ATOM 498 CA TYR A 178 -4.225 -5.011 4.137 1.00 0.00 C ATOM 499 C TYR A 178 -4.666 -6.370 4.674 1.00 0.00 C ATOM 500 O TYR A 178 -4.762 -6.571 5.885 1.00 0.00 O ATOM 501 CB TYR A 178 -2.820 -4.682 4.644 1.00 0.00 C ATOM 502 CG TYR A 178 -2.231 -3.433 4.028 1.00 0.00 C ATOM 503 CD1 TYR A 178 -1.902 -3.389 2.679 1.00 0.00 C ATOM 504 CD2 TYR A 178 -2.004 -2.297 4.794 1.00 0.00 C ATOM 505 CE1 TYR A 178 -1.363 -2.251 2.111 1.00 0.00 C ATOM 506 CE2 TYR A 178 -1.467 -1.153 4.235 1.00 0.00 C ATOM 507 CZ TYR A 178 -1.148 -1.135 2.893 1.00 0.00 C ATOM 508 OH TYR A 178 -0.612 0.001 2.333 1.00 0.00 O ATOM 0 H TYR A 178 -5.438 -3.995 5.511 1.00 0.00 H new ATOM 0 HA TYR A 178 -4.209 -5.058 3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -2.852 -4.562 5.727 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -2.161 -5.525 4.436 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -2.071 -4.260 2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -2.252 -2.308 5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -1.111 -2.235 1.061 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -1.298 -0.278 4.845 1.00 0.00 H new ATOM 0 HH TYR A 178 -0.526 0.695 3.020 1.00 0.00 H new ATOM 518 N THR A 179 -4.933 -7.300 3.763 1.00 0.00 N ATOM 519 CA THR A 179 -5.365 -8.640 4.143 1.00 0.00 C ATOM 520 C THR A 179 -4.868 -9.681 3.146 1.00 0.00 C ATOM 521 O THR A 179 -4.953 -9.484 1.933 1.00 0.00 O ATOM 522 CB THR A 179 -6.899 -8.729 4.239 1.00 0.00 C ATOM 523 OG1 THR A 179 -7.381 -7.825 5.239 1.00 0.00 O ATOM 524 CG2 THR A 179 -7.339 -10.146 4.575 1.00 0.00 C ATOM 0 H THR A 179 -4.858 -7.150 2.757 1.00 0.00 H new ATOM 0 HA THR A 179 -4.935 -8.845 5.123 1.00 0.00 H new ATOM 0 HB THR A 179 -7.318 -8.455 3.271 1.00 0.00 H new ATOM 0 HG1 THR A 179 -7.113 -6.911 5.010 1.00 0.00 H new ATOM 0 HG21 THR A 179 -8.427 -10.184 4.638 1.00 0.00 H new ATOM 0 HG22 THR A 179 -6.996 -10.828 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 179 -6.910 -10.443 5.532 1.00 0.00 H new ATOM 532 N VAL A 180 -4.350 -10.789 3.664 1.00 0.00 N ATOM 533 CA VAL A 180 -3.841 -11.863 2.819 1.00 0.00 C ATOM 534 C VAL A 180 -4.981 -12.666 2.203 1.00 0.00 C ATOM 535 O VAL A 180 -5.777 -13.281 2.914 1.00 0.00 O ATOM 536 CB VAL A 180 -2.926 -12.816 3.612 1.00 0.00 C ATOM 537 CG1 VAL A 180 -2.461 -13.965 2.731 1.00 0.00 C ATOM 538 CG2 VAL A 180 -1.739 -12.059 4.187 1.00 0.00 C ATOM 0 H VAL A 180 -4.271 -10.967 4.665 1.00 0.00 H new ATOM 0 HA VAL A 180 -3.262 -11.392 2.025 1.00 0.00 H new ATOM 0 HB VAL A 180 -3.497 -13.234 4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.816 -14.628 3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -3.327 -14.522 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -1.907 -13.570 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.103 -12.748 4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.165 -11.611 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.096 -11.275 4.854 1.00 0.00 H new ATOM 548 N THR A 181 -5.055 -12.656 0.876 1.00 0.00 N ATOM 549 CA THR A 181 -6.099 -13.382 0.164 1.00 0.00 C ATOM 550 C THR A 181 -5.672 -14.817 -0.124 1.00 0.00 C ATOM 551 O THR A 181 -6.450 -15.753 0.056 1.00 0.00 O ATOM 552 CB THR A 181 -6.458 -12.690 -1.165 1.00 0.00 C ATOM 553 OG1 THR A 181 -5.286 -12.545 -1.975 1.00 0.00 O ATOM 554 CG2 THR A 181 -7.078 -11.324 -0.912 1.00 0.00 C ATOM 0 H THR A 181 -4.404 -12.153 0.273 1.00 0.00 H new ATOM 0 HA THR A 181 -6.976 -13.389 0.811 1.00 0.00 H new ATOM 0 HB THR A 181 -7.185 -13.311 -1.688 1.00 0.00 H new ATOM 0 HG1 THR A 181 -5.523 -12.106 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 181 -7.323 -10.854 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 181 -7.986 -11.440 -0.320 1.00 0.00 H new ATOM 0 HG23 THR A 181 -6.369 -10.698 -0.370 1.00 0.00 H new ATOM 562 N GLN A 182 -4.431 -14.982 -0.570 1.00 0.00 N ATOM 563 CA GLN A 182 -3.901 -16.305 -0.882 1.00 0.00 C ATOM 564 C GLN A 182 -2.493 -16.473 -0.322 1.00 0.00 C ATOM 565 O GLN A 182 -1.818 -15.492 -0.010 1.00 0.00 O ATOM 566 CB GLN A 182 -3.892 -16.530 -2.395 1.00 0.00 C ATOM 567 CG GLN A 182 -4.026 -17.990 -2.793 1.00 0.00 C ATOM 568 CD GLN A 182 -2.688 -18.700 -2.868 1.00 0.00 C ATOM 569 OE1 GLN A 182 -1.636 -18.062 -2.918 1.00 0.00 O ATOM 570 NE2 GLN A 182 -2.722 -20.027 -2.877 1.00 0.00 N ATOM 0 H GLN A 182 -3.774 -14.217 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 182 -4.548 -17.048 -0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 182 -4.708 -15.963 -2.843 1.00 0.00 H new ATOM 0 HB3 GLN A 182 -2.964 -16.133 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 182 -4.665 -18.502 -2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 182 -4.522 -18.055 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 182 -3.617 -20.515 -2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 182 -1.853 -20.559 -2.927 1.00 0.00 H new ATOM 579 N GLU A 183 -2.056 -17.722 -0.197 1.00 0.00 N ATOM 580 CA GLU A 183 -0.728 -18.018 0.327 1.00 0.00 C ATOM 581 C GLU A 183 -0.198 -19.331 -0.242 1.00 0.00 C ATOM 582 O GLU A 183 -0.739 -20.402 0.035 1.00 0.00 O ATOM 583 CB GLU A 183 -0.761 -18.087 1.855 1.00 0.00 C ATOM 584 CG GLU A 183 -1.308 -16.830 2.509 1.00 0.00 C ATOM 585 CD GLU A 183 -1.596 -17.019 3.986 1.00 0.00 C ATOM 586 OE1 GLU A 183 -0.667 -16.833 4.800 1.00 0.00 O ATOM 587 OE2 GLU A 183 -2.749 -17.352 4.328 1.00 0.00 O ATOM 0 H GLU A 183 -2.602 -18.545 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 183 -0.058 -17.214 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 183 -1.370 -18.939 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 183 0.248 -18.269 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 183 -0.591 -16.018 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 183 -2.223 -16.529 2.000 1.00 0.00 H new ATOM 594 N SER A 184 0.861 -19.241 -1.039 1.00 0.00 N ATOM 595 CA SER A 184 1.462 -20.420 -1.650 1.00 0.00 C ATOM 596 C SER A 184 2.981 -20.387 -1.518 1.00 0.00 C ATOM 597 O SER A 184 3.556 -19.389 -1.086 1.00 0.00 O ATOM 598 CB SER A 184 1.068 -20.512 -3.126 1.00 0.00 C ATOM 599 OG SER A 184 1.416 -21.774 -3.669 1.00 0.00 O ATOM 0 H SER A 184 1.321 -18.362 -1.277 1.00 0.00 H new ATOM 0 HA SER A 184 1.089 -21.300 -1.126 1.00 0.00 H new ATOM 0 HB2 SER A 184 -0.005 -20.351 -3.230 1.00 0.00 H new ATOM 0 HB3 SER A 184 1.565 -19.721 -3.688 1.00 0.00 H new ATOM 0 HG SER A 184 1.152 -21.808 -4.612 1.00 0.00 H new ATOM 605 N GLY A 185 3.626 -21.488 -1.894 1.00 0.00 N ATOM 606 CA GLY A 185 5.073 -21.565 -1.810 1.00 0.00 C ATOM 607 C GLY A 185 5.541 -22.487 -0.702 1.00 0.00 C ATOM 608 O GLY A 185 4.915 -22.592 0.353 1.00 0.00 O ATOM 0 H GLY A 185 3.172 -22.327 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 185 5.471 -21.915 -2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 185 5.478 -20.567 -1.643 1.00 0.00 H new ATOM 612 N PRO A 186 6.667 -23.178 -0.938 1.00 0.00 N ATOM 613 CA PRO A 186 7.242 -24.109 0.037 1.00 0.00 C ATOM 614 C PRO A 186 7.820 -23.393 1.253 1.00 0.00 C ATOM 615 O PRO A 186 7.651 -22.184 1.410 1.00 0.00 O ATOM 616 CB PRO A 186 8.354 -24.805 -0.752 1.00 0.00 C ATOM 617 CG PRO A 186 8.729 -23.833 -1.817 1.00 0.00 C ATOM 618 CD PRO A 186 7.464 -23.102 -2.173 1.00 0.00 C ATOM 0 HA PRO A 186 6.493 -24.791 0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 186 9.205 -25.040 -0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 186 8.007 -25.746 -1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 186 9.493 -23.141 -1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 186 9.141 -24.346 -2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 186 7.664 -22.069 -2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 186 6.951 -23.572 -3.012 1.00 0.00 H new ATOM 626 N ALA A 187 8.502 -24.146 2.109 1.00 0.00 N ATOM 627 CA ALA A 187 9.107 -23.581 3.309 1.00 0.00 C ATOM 628 C ALA A 187 10.334 -22.744 2.964 1.00 0.00 C ATOM 629 O ALA A 187 10.654 -21.778 3.658 1.00 0.00 O ATOM 630 CB ALA A 187 9.479 -24.689 4.284 1.00 0.00 C ATOM 0 H ALA A 187 8.650 -25.149 1.994 1.00 0.00 H new ATOM 0 HA ALA A 187 8.374 -22.926 3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 187 9.930 -24.253 5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 187 8.583 -25.243 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 187 10.191 -25.366 3.811 1.00 0.00 H new ATOM 636 N HIS A 188 11.018 -23.120 1.888 1.00 0.00 N ATOM 637 CA HIS A 188 12.211 -22.403 1.451 1.00 0.00 C ATOM 638 C HIS A 188 11.834 -21.149 0.668 1.00 0.00 C ATOM 639 O HIS A 188 12.548 -20.147 0.702 1.00 0.00 O ATOM 640 CB HIS A 188 13.090 -23.311 0.591 1.00 0.00 C ATOM 641 CG HIS A 188 12.313 -24.210 -0.320 1.00 0.00 C ATOM 642 ND1 HIS A 188 11.788 -25.420 0.084 1.00 0.00 N ATOM 643 CD2 HIS A 188 11.971 -24.070 -1.622 1.00 0.00 C ATOM 644 CE1 HIS A 188 11.158 -25.985 -0.930 1.00 0.00 C ATOM 645 NE2 HIS A 188 11.254 -25.186 -1.977 1.00 0.00 N ATOM 0 H HIS A 188 10.767 -23.917 1.303 1.00 0.00 H new ATOM 0 HA HIS A 188 12.770 -22.102 2.337 1.00 0.00 H new ATOM 0 HB2 HIS A 188 13.760 -22.693 -0.007 1.00 0.00 H new ATOM 0 HB3 HIS A 188 13.715 -23.921 1.243 1.00 0.00 H new ATOM 0 HD1 HIS A 188 11.873 -25.817 1.020 1.00 0.00 H new ATOM 0 HD2 HIS A 188 12.216 -23.236 -2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 188 10.651 -26.938 -0.907 1.00 0.00 H new ATOM 653 N ARG A 189 10.709 -21.213 -0.037 1.00 0.00 N ATOM 654 CA ARG A 189 10.239 -20.084 -0.831 1.00 0.00 C ATOM 655 C ARG A 189 8.797 -19.733 -0.477 1.00 0.00 C ATOM 656 O ARG A 189 7.859 -20.163 -1.148 1.00 0.00 O ATOM 657 CB ARG A 189 10.347 -20.402 -2.323 1.00 0.00 C ATOM 658 CG ARG A 189 11.767 -20.329 -2.861 1.00 0.00 C ATOM 659 CD ARG A 189 11.786 -19.951 -4.334 1.00 0.00 C ATOM 660 NE ARG A 189 11.519 -18.529 -4.537 1.00 0.00 N ATOM 661 CZ ARG A 189 11.632 -17.921 -5.713 1.00 0.00 C ATOM 662 NH1 ARG A 189 12.006 -18.607 -6.784 1.00 0.00 N ATOM 663 NH2 ARG A 189 11.372 -16.624 -5.818 1.00 0.00 N ATOM 0 H ARG A 189 10.106 -22.035 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 189 10.870 -19.225 -0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 189 9.951 -21.401 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 189 9.720 -19.706 -2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 189 12.337 -19.597 -2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 189 12.259 -21.292 -2.725 1.00 0.00 H new ATOM 0 HD2 ARG A 189 12.757 -20.202 -4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 189 11.041 -20.540 -4.869 1.00 0.00 H new ATOM 0 HE ARG A 189 11.230 -17.973 -3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 189 12.208 -19.604 -6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 189 12.092 -18.138 -7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 189 11.085 -16.093 -4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 189 11.459 -16.158 -6.721 1.00 0.00 H new ATOM 677 N LYS A 190 8.627 -18.950 0.583 1.00 0.00 N ATOM 678 CA LYS A 190 7.300 -18.541 1.028 1.00 0.00 C ATOM 679 C LYS A 190 6.810 -17.334 0.235 1.00 0.00 C ATOM 680 O LYS A 190 7.557 -16.383 0.009 1.00 0.00 O ATOM 681 CB LYS A 190 7.320 -18.209 2.521 1.00 0.00 C ATOM 682 CG LYS A 190 7.339 -19.436 3.417 1.00 0.00 C ATOM 683 CD LYS A 190 5.932 -19.907 3.747 1.00 0.00 C ATOM 684 CE LYS A 190 5.934 -21.324 4.299 1.00 0.00 C ATOM 685 NZ LYS A 190 6.778 -21.443 5.520 1.00 0.00 N ATOM 0 H LYS A 190 9.392 -18.586 1.150 1.00 0.00 H new ATOM 0 HA LYS A 190 6.614 -19.371 0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 190 8.196 -17.598 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 190 6.444 -17.607 2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 190 7.886 -20.239 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 190 7.872 -19.206 4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 190 5.483 -19.232 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 190 5.314 -19.865 2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 190 4.913 -21.624 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 190 6.301 -22.010 3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 190 6.660 -22.390 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 190 7.776 -21.297 5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 190 6.488 -20.725 6.214 1.00 0.00 H new ATOM 699 N GLU A 191 5.549 -17.379 -0.184 1.00 0.00 N ATOM 700 CA GLU A 191 4.960 -16.288 -0.952 1.00 0.00 C ATOM 701 C GLU A 191 3.519 -16.034 -0.518 1.00 0.00 C ATOM 702 O GLU A 191 2.663 -16.912 -0.623 1.00 0.00 O ATOM 703 CB GLU A 191 5.005 -16.604 -2.448 1.00 0.00 C ATOM 704 CG GLU A 191 4.151 -15.674 -3.293 1.00 0.00 C ATOM 705 CD GLU A 191 4.399 -15.843 -4.779 1.00 0.00 C ATOM 706 OE1 GLU A 191 5.579 -15.955 -5.174 1.00 0.00 O ATOM 707 OE2 GLU A 191 3.415 -15.864 -5.547 1.00 0.00 O ATOM 0 H GLU A 191 4.916 -18.159 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 191 5.544 -15.387 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 191 6.038 -16.547 -2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 191 4.673 -17.630 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 191 3.098 -15.861 -3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 191 4.355 -14.642 -3.010 1.00 0.00 H new ATOM 714 N PHE A 192 3.259 -14.826 -0.029 1.00 0.00 N ATOM 715 CA PHE A 192 1.923 -14.455 0.423 1.00 0.00 C ATOM 716 C PHE A 192 1.290 -13.441 -0.525 1.00 0.00 C ATOM 717 O PHE A 192 1.932 -12.475 -0.940 1.00 0.00 O ATOM 718 CB PHE A 192 1.982 -13.879 1.839 1.00 0.00 C ATOM 719 CG PHE A 192 2.499 -14.850 2.861 1.00 0.00 C ATOM 720 CD1 PHE A 192 3.842 -15.189 2.897 1.00 0.00 C ATOM 721 CD2 PHE A 192 1.642 -15.426 3.785 1.00 0.00 C ATOM 722 CE1 PHE A 192 4.322 -16.082 3.836 1.00 0.00 C ATOM 723 CE2 PHE A 192 2.116 -16.320 4.726 1.00 0.00 C ATOM 724 CZ PHE A 192 3.457 -16.649 4.751 1.00 0.00 C ATOM 0 H PHE A 192 3.956 -14.087 0.064 1.00 0.00 H new ATOM 0 HA PHE A 192 1.306 -15.354 0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 192 2.618 -12.994 1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.984 -13.553 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 192 4.522 -14.750 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 192 0.592 -15.173 3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 192 5.372 -16.336 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 192 1.438 -16.761 5.442 1.00 0.00 H new ATOM 0 HZ PHE A 192 3.829 -17.349 5.485 1.00 0.00 H new ATOM 734 N THR A 193 0.025 -13.667 -0.866 1.00 0.00 N ATOM 735 CA THR A 193 -0.696 -12.775 -1.766 1.00 0.00 C ATOM 736 C THR A 193 -1.590 -11.816 -0.990 1.00 0.00 C ATOM 737 O THR A 193 -2.713 -12.160 -0.621 1.00 0.00 O ATOM 738 CB THR A 193 -1.557 -13.566 -2.769 1.00 0.00 C ATOM 739 OG1 THR A 193 -0.791 -14.632 -3.339 1.00 0.00 O ATOM 740 CG2 THR A 193 -2.072 -12.656 -3.874 1.00 0.00 C ATOM 0 H THR A 193 -0.522 -14.461 -0.532 1.00 0.00 H new ATOM 0 HA THR A 193 0.054 -12.204 -2.314 1.00 0.00 H new ATOM 0 HB THR A 193 -2.411 -13.981 -2.234 1.00 0.00 H new ATOM 0 HG1 THR A 193 -1.346 -15.131 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 193 -2.677 -13.236 -4.571 1.00 0.00 H new ATOM 0 HG22 THR A 193 -2.680 -11.863 -3.438 1.00 0.00 H new ATOM 0 HG23 THR A 193 -1.228 -12.216 -4.406 1.00 0.00 H new ATOM 748 N MET A 194 -1.087 -10.610 -0.746 1.00 0.00 N ATOM 749 CA MET A 194 -1.842 -9.600 -0.014 1.00 0.00 C ATOM 750 C MET A 194 -2.475 -8.596 -0.972 1.00 0.00 C ATOM 751 O MET A 194 -1.827 -8.113 -1.901 1.00 0.00 O ATOM 752 CB MET A 194 -0.934 -8.873 0.979 1.00 0.00 C ATOM 753 CG MET A 194 -1.686 -7.960 1.934 1.00 0.00 C ATOM 754 SD MET A 194 -0.586 -7.040 3.027 1.00 0.00 S ATOM 755 CE MET A 194 -0.354 -8.225 4.350 1.00 0.00 C ATOM 0 H MET A 194 -0.159 -10.309 -1.045 1.00 0.00 H new ATOM 0 HA MET A 194 -2.638 -10.104 0.535 1.00 0.00 H new ATOM 0 HB2 MET A 194 -0.377 -9.611 1.557 1.00 0.00 H new ATOM 0 HB3 MET A 194 -0.203 -8.284 0.426 1.00 0.00 H new ATOM 0 HG2 MET A 194 -2.291 -7.258 1.359 1.00 0.00 H new ATOM 0 HG3 MET A 194 -2.373 -8.556 2.534 1.00 0.00 H new ATOM 0 HE1 MET A 194 0.306 -7.801 5.107 1.00 0.00 H new ATOM 0 HE2 MET A 194 -1.318 -8.461 4.800 1.00 0.00 H new ATOM 0 HE3 MET A 194 0.092 -9.135 3.949 1.00 0.00 H new ATOM 765 N THR A 195 -3.747 -8.284 -0.741 1.00 0.00 N ATOM 766 CA THR A 195 -4.468 -7.339 -1.584 1.00 0.00 C ATOM 767 C THR A 195 -4.783 -6.055 -0.824 1.00 0.00 C ATOM 768 O THR A 195 -5.185 -6.093 0.339 1.00 0.00 O ATOM 769 CB THR A 195 -5.782 -7.945 -2.112 1.00 0.00 C ATOM 770 OG1 THR A 195 -5.521 -9.202 -2.746 1.00 0.00 O ATOM 771 CG2 THR A 195 -6.455 -7.003 -3.098 1.00 0.00 C ATOM 0 H THR A 195 -4.299 -8.673 0.024 1.00 0.00 H new ATOM 0 HA THR A 195 -3.818 -7.109 -2.428 1.00 0.00 H new ATOM 0 HB THR A 195 -6.452 -8.098 -1.266 1.00 0.00 H new ATOM 0 HG1 THR A 195 -5.177 -9.837 -2.084 1.00 0.00 H new ATOM 0 HG21 THR A 195 -7.381 -7.453 -3.457 1.00 0.00 H new ATOM 0 HG22 THR A 195 -6.679 -6.058 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 195 -5.789 -6.822 -3.941 1.00 0.00 H new ATOM 779 N CYS A 196 -4.599 -4.920 -1.489 1.00 0.00 N ATOM 780 CA CYS A 196 -4.864 -3.623 -0.877 1.00 0.00 C ATOM 781 C CYS A 196 -6.283 -3.156 -1.184 1.00 0.00 C ATOM 782 O CYS A 196 -6.648 -2.970 -2.345 1.00 0.00 O ATOM 783 CB CYS A 196 -3.855 -2.586 -1.371 1.00 0.00 C ATOM 784 SG CYS A 196 -4.135 -0.919 -0.730 1.00 0.00 S ATOM 0 H CYS A 196 -4.267 -4.872 -2.452 1.00 0.00 H new ATOM 0 HA CYS A 196 -4.762 -3.732 0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 196 -2.852 -2.908 -1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 196 -3.886 -2.555 -2.460 1.00 0.00 H new ATOM 0 HG CYS A 196 -3.230 -0.115 -1.203 1.00 0.00 H new ATOM 790 N ARG A 197 -7.079 -2.970 -0.136 1.00 0.00 N ATOM 791 CA ARG A 197 -8.459 -2.527 -0.295 1.00 0.00 C ATOM 792 C ARG A 197 -8.599 -1.047 0.047 1.00 0.00 C ATOM 793 O ARG A 197 -8.669 -0.674 1.218 1.00 0.00 O ATOM 794 CB ARG A 197 -9.388 -3.357 0.594 1.00 0.00 C ATOM 795 CG ARG A 197 -10.792 -3.512 0.031 1.00 0.00 C ATOM 796 CD ARG A 197 -11.557 -4.618 0.740 1.00 0.00 C ATOM 797 NE ARG A 197 -11.004 -5.939 0.450 1.00 0.00 N ATOM 798 CZ ARG A 197 -11.657 -7.074 0.674 1.00 0.00 C ATOM 799 NH1 ARG A 197 -12.879 -7.050 1.186 1.00 0.00 N ATOM 800 NH2 ARG A 197 -11.086 -8.236 0.384 1.00 0.00 N ATOM 0 H ARG A 197 -6.792 -3.119 0.831 1.00 0.00 H new ATOM 0 HA ARG A 197 -8.742 -2.669 -1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -8.952 -4.346 0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -9.449 -2.890 1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -11.332 -2.571 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -10.736 -3.733 -1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -11.533 -4.443 1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.603 -4.588 0.435 1.00 0.00 H new ATOM 0 HE ARG A 197 -10.066 -5.993 0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -13.321 -6.158 1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -13.378 -7.923 1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -10.146 -8.258 -0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -11.587 -9.108 0.556 1.00 0.00 H new ATOM 814 N VAL A 198 -8.637 -0.208 -0.983 1.00 0.00 N ATOM 815 CA VAL A 198 -8.768 1.232 -0.792 1.00 0.00 C ATOM 816 C VAL A 198 -10.219 1.676 -0.939 1.00 0.00 C ATOM 817 O VAL A 198 -11.035 0.973 -1.533 1.00 0.00 O ATOM 818 CB VAL A 198 -7.899 2.012 -1.796 1.00 0.00 C ATOM 819 CG1 VAL A 198 -8.346 3.464 -1.873 1.00 0.00 C ATOM 820 CG2 VAL A 198 -6.429 1.919 -1.414 1.00 0.00 C ATOM 0 H VAL A 198 -8.579 -0.500 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 198 -8.426 1.450 0.220 1.00 0.00 H new ATOM 0 HB VAL A 198 -8.024 1.564 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -7.721 4.000 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -9.386 3.508 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -8.252 3.926 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -5.830 2.476 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -6.284 2.340 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -6.118 0.874 -1.414 1.00 0.00 H new ATOM 830 N GLU A 199 -10.531 2.847 -0.394 1.00 0.00 N ATOM 831 CA GLU A 199 -11.885 3.385 -0.465 1.00 0.00 C ATOM 832 C GLU A 199 -12.553 3.004 -1.783 1.00 0.00 C ATOM 833 O GLU A 199 -13.426 2.136 -1.821 1.00 0.00 O ATOM 834 CB GLU A 199 -11.862 4.907 -0.314 1.00 0.00 C ATOM 835 CG GLU A 199 -11.503 5.375 1.087 1.00 0.00 C ATOM 836 CD GLU A 199 -12.595 5.079 2.097 1.00 0.00 C ATOM 837 OE1 GLU A 199 -13.605 5.814 2.110 1.00 0.00 O ATOM 838 OE2 GLU A 199 -12.439 4.115 2.874 1.00 0.00 O ATOM 0 H GLU A 199 -9.866 3.441 0.101 1.00 0.00 H new ATOM 0 HA GLU A 199 -12.462 2.955 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -11.145 5.323 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -12.841 5.305 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -10.579 4.890 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -11.310 6.448 1.070 1.00 0.00 H new ATOM 845 N ARG A 200 -12.137 3.659 -2.862 1.00 0.00 N ATOM 846 CA ARG A 200 -12.696 3.391 -4.181 1.00 0.00 C ATOM 847 C ARG A 200 -11.649 2.768 -5.099 1.00 0.00 C ATOM 848 O ARG A 200 -11.651 2.998 -6.308 1.00 0.00 O ATOM 849 CB ARG A 200 -13.231 4.682 -4.804 1.00 0.00 C ATOM 850 CG ARG A 200 -14.589 5.101 -4.266 1.00 0.00 C ATOM 851 CD ARG A 200 -15.704 4.233 -4.828 1.00 0.00 C ATOM 852 NE ARG A 200 -16.901 4.270 -3.993 1.00 0.00 N ATOM 853 CZ ARG A 200 -17.694 5.330 -3.892 1.00 0.00 C ATOM 854 NH1 ARG A 200 -17.419 6.435 -4.571 1.00 0.00 N ATOM 855 NH2 ARG A 200 -18.766 5.287 -3.111 1.00 0.00 N ATOM 0 H ARG A 200 -11.415 4.379 -2.848 1.00 0.00 H new ATOM 0 HA ARG A 200 -13.518 2.685 -4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -12.516 5.485 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -13.302 4.552 -5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -14.587 5.033 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -14.776 6.144 -4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -15.953 4.570 -5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -15.354 3.204 -4.914 1.00 0.00 H new ATOM 0 HE ARG A 200 -17.141 3.436 -3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -16.596 6.472 -5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -18.030 7.248 -4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -18.982 4.439 -2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -19.374 6.102 -3.034 1.00 0.00 H new ATOM 869 N PHE A 201 -10.755 1.976 -4.516 1.00 0.00 N ATOM 870 CA PHE A 201 -9.700 1.320 -5.280 1.00 0.00 C ATOM 871 C PHE A 201 -9.354 -0.037 -4.675 1.00 0.00 C ATOM 872 O PHE A 201 -9.426 -0.223 -3.460 1.00 0.00 O ATOM 873 CB PHE A 201 -8.452 2.203 -5.329 1.00 0.00 C ATOM 874 CG PHE A 201 -8.497 3.247 -6.408 1.00 0.00 C ATOM 875 CD1 PHE A 201 -9.344 4.338 -6.300 1.00 0.00 C ATOM 876 CD2 PHE A 201 -7.692 3.137 -7.531 1.00 0.00 C ATOM 877 CE1 PHE A 201 -9.388 5.299 -7.292 1.00 0.00 C ATOM 878 CE2 PHE A 201 -7.732 4.095 -8.526 1.00 0.00 C ATOM 879 CZ PHE A 201 -8.580 5.178 -8.405 1.00 0.00 C ATOM 0 H PHE A 201 -10.740 1.773 -3.517 1.00 0.00 H new ATOM 0 HA PHE A 201 -10.065 1.163 -6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -8.327 2.695 -4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -7.576 1.572 -5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -9.977 4.439 -5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -7.026 2.293 -7.629 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -10.054 6.144 -7.197 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -7.101 3.997 -9.397 1.00 0.00 H new ATOM 0 HZ PHE A 201 -8.611 5.930 -9.180 1.00 0.00 H new ATOM 889 N ILE A 202 -8.979 -0.981 -5.531 1.00 0.00 N ATOM 890 CA ILE A 202 -8.621 -2.321 -5.081 1.00 0.00 C ATOM 891 C ILE A 202 -7.586 -2.953 -6.006 1.00 0.00 C ATOM 892 O ILE A 202 -7.705 -2.878 -7.228 1.00 0.00 O ATOM 893 CB ILE A 202 -9.856 -3.239 -5.008 1.00 0.00 C ATOM 894 CG1 ILE A 202 -10.875 -2.680 -4.012 1.00 0.00 C ATOM 895 CG2 ILE A 202 -9.444 -4.650 -4.617 1.00 0.00 C ATOM 896 CD1 ILE A 202 -12.155 -3.483 -3.943 1.00 0.00 C ATOM 0 H ILE A 202 -8.915 -0.843 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 202 -8.197 -2.216 -4.082 1.00 0.00 H new ATOM 0 HB ILE A 202 -10.322 -3.277 -5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 202 -10.422 -2.647 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 202 -11.114 -1.653 -4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -10.327 -5.287 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -8.751 -5.046 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -8.958 -4.630 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 202 -12.830 -3.029 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 202 -12.631 -3.495 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 202 -11.928 -4.504 -3.638 1.00 0.00 H new ATOM 908 N GLU A 203 -6.573 -3.577 -5.413 1.00 0.00 N ATOM 909 CA GLU A 203 -5.518 -4.223 -6.184 1.00 0.00 C ATOM 910 C GLU A 203 -4.876 -5.355 -5.386 1.00 0.00 C ATOM 911 O GLU A 203 -4.763 -5.278 -4.162 1.00 0.00 O ATOM 912 CB GLU A 203 -4.453 -3.202 -6.589 1.00 0.00 C ATOM 913 CG GLU A 203 -4.729 -2.533 -7.926 1.00 0.00 C ATOM 914 CD GLU A 203 -5.697 -1.372 -7.809 1.00 0.00 C ATOM 915 OE1 GLU A 203 -5.580 -0.600 -6.834 1.00 0.00 O ATOM 916 OE2 GLU A 203 -6.570 -1.235 -8.690 1.00 0.00 O ATOM 0 H GLU A 203 -6.461 -3.649 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 203 -5.967 -4.645 -7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -4.383 -2.436 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -3.484 -3.699 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -3.790 -2.177 -8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -5.133 -3.270 -8.620 1.00 0.00 H new ATOM 923 N ILE A 204 -4.458 -6.402 -6.088 1.00 0.00 N ATOM 924 CA ILE A 204 -3.827 -7.549 -5.446 1.00 0.00 C ATOM 925 C ILE A 204 -2.311 -7.503 -5.606 1.00 0.00 C ATOM 926 O ILE A 204 -1.799 -7.206 -6.685 1.00 0.00 O ATOM 927 CB ILE A 204 -4.353 -8.877 -6.022 1.00 0.00 C ATOM 928 CG1 ILE A 204 -5.881 -8.919 -5.949 1.00 0.00 C ATOM 929 CG2 ILE A 204 -3.749 -10.055 -5.273 1.00 0.00 C ATOM 930 CD1 ILE A 204 -6.502 -9.932 -6.886 1.00 0.00 C ATOM 0 H ILE A 204 -4.545 -6.480 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 204 -4.080 -7.497 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 204 -4.056 -8.946 -7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 204 -6.182 -9.149 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 204 -6.275 -7.930 -6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 204 -4.130 -10.986 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 204 -2.664 -10.031 -5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 204 -4.020 -9.993 -4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 204 -7.587 -9.907 -6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 204 -6.231 -9.691 -7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 204 -6.136 -10.929 -6.639 1.00 0.00 H new ATOM 942 N GLY A 205 -1.597 -7.802 -4.525 1.00 0.00 N ATOM 943 CA GLY A 205 -0.147 -7.791 -4.567 1.00 0.00 C ATOM 944 C GLY A 205 0.455 -9.118 -4.152 1.00 0.00 C ATOM 945 O GLY A 205 -0.267 -10.065 -3.839 1.00 0.00 O ATOM 0 H GLY A 205 -1.997 -8.052 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 205 0.182 -7.546 -5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 205 0.226 -7.005 -3.911 1.00 0.00 H new ATOM 949 N SER A 206 1.782 -9.190 -4.150 1.00 0.00 N ATOM 950 CA SER A 206 2.482 -10.414 -3.775 1.00 0.00 C ATOM 951 C SER A 206 3.858 -10.098 -3.197 1.00 0.00 C ATOM 952 O SER A 206 4.528 -9.164 -3.636 1.00 0.00 O ATOM 953 CB SER A 206 2.624 -11.336 -4.988 1.00 0.00 C ATOM 954 OG SER A 206 3.388 -10.720 -6.010 1.00 0.00 O ATOM 0 H SER A 206 2.395 -8.415 -4.404 1.00 0.00 H new ATOM 0 HA SER A 206 1.894 -10.920 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 206 3.100 -12.269 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 206 1.636 -11.592 -5.372 1.00 0.00 H new ATOM 0 HG SER A 206 3.466 -11.330 -6.773 1.00 0.00 H new ATOM 960 N GLY A 207 4.272 -10.884 -2.208 1.00 0.00 N ATOM 961 CA GLY A 207 5.566 -10.673 -1.585 1.00 0.00 C ATOM 962 C GLY A 207 6.050 -11.893 -0.827 1.00 0.00 C ATOM 963 O GLY A 207 5.291 -12.512 -0.080 1.00 0.00 O ATOM 0 H GLY A 207 3.735 -11.663 -1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 207 6.296 -10.412 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 207 5.503 -9.826 -0.902 1.00 0.00 H new ATOM 967 N THR A 208 7.318 -12.243 -1.019 1.00 0.00 N ATOM 968 CA THR A 208 7.902 -13.399 -0.350 1.00 0.00 C ATOM 969 C THR A 208 7.437 -13.488 1.099 1.00 0.00 C ATOM 970 O THR A 208 7.164 -14.576 1.607 1.00 0.00 O ATOM 971 CB THR A 208 9.441 -13.347 -0.380 1.00 0.00 C ATOM 972 OG1 THR A 208 9.916 -12.338 0.518 1.00 0.00 O ATOM 973 CG2 THR A 208 9.945 -13.059 -1.787 1.00 0.00 C ATOM 0 H THR A 208 7.960 -11.742 -1.633 1.00 0.00 H new ATOM 0 HA THR A 208 7.565 -14.282 -0.893 1.00 0.00 H new ATOM 0 HB THR A 208 9.821 -14.319 -0.066 1.00 0.00 H new ATOM 0 HG1 THR A 208 10.895 -12.313 0.494 1.00 0.00 H new ATOM 0 HG21 THR A 208 11.035 -13.027 -1.784 1.00 0.00 H new ATOM 0 HG22 THR A 208 9.607 -13.845 -2.462 1.00 0.00 H new ATOM 0 HG23 THR A 208 9.555 -12.099 -2.124 1.00 0.00 H new ATOM 981 N SER A 209 7.346 -12.338 1.759 1.00 0.00 N ATOM 982 CA SER A 209 6.917 -12.287 3.152 1.00 0.00 C ATOM 983 C SER A 209 5.791 -11.274 3.336 1.00 0.00 C ATOM 984 O SER A 209 5.793 -10.207 2.721 1.00 0.00 O ATOM 985 CB SER A 209 8.095 -11.929 4.059 1.00 0.00 C ATOM 986 OG SER A 209 9.019 -13.000 4.143 1.00 0.00 O ATOM 0 H SER A 209 7.564 -11.429 1.351 1.00 0.00 H new ATOM 0 HA SER A 209 6.544 -13.273 3.428 1.00 0.00 H new ATOM 0 HB2 SER A 209 8.597 -11.041 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 209 7.729 -11.682 5.055 1.00 0.00 H new ATOM 0 HG SER A 209 9.763 -12.745 4.727 1.00 0.00 H new ATOM 992 N LYS A 210 4.831 -11.614 4.189 1.00 0.00 N ATOM 993 CA LYS A 210 3.698 -10.736 4.457 1.00 0.00 C ATOM 994 C LYS A 210 4.141 -9.277 4.504 1.00 0.00 C ATOM 995 O LYS A 210 3.584 -8.426 3.810 1.00 0.00 O ATOM 996 CB LYS A 210 3.031 -11.120 5.780 1.00 0.00 C ATOM 997 CG LYS A 210 2.257 -12.425 5.715 1.00 0.00 C ATOM 998 CD LYS A 210 1.662 -12.789 7.065 1.00 0.00 C ATOM 999 CE LYS A 210 1.449 -14.289 7.194 1.00 0.00 C ATOM 1000 NZ LYS A 210 2.726 -15.011 7.446 1.00 0.00 N ATOM 0 H LYS A 210 4.815 -12.492 4.707 1.00 0.00 H new ATOM 0 HA LYS A 210 2.979 -10.854 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 210 3.795 -11.199 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 210 2.354 -10.321 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 210 1.460 -12.340 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 210 2.918 -13.225 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 210 2.323 -12.445 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 210 0.711 -12.273 7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 210 0.753 -14.488 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 210 0.990 -14.670 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 2.956 -15.606 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 3.490 -14.322 7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 2.625 -15.610 8.290 1.00 0.00 H new ATOM 1014 N LYS A 211 5.147 -8.994 5.324 1.00 0.00 N ATOM 1015 CA LYS A 211 5.667 -7.639 5.460 1.00 0.00 C ATOM 1016 C LYS A 211 5.934 -7.020 4.091 1.00 0.00 C ATOM 1017 O LYS A 211 5.580 -5.867 3.841 1.00 0.00 O ATOM 1018 CB LYS A 211 6.953 -7.644 6.289 1.00 0.00 C ATOM 1019 CG LYS A 211 6.767 -8.181 7.697 1.00 0.00 C ATOM 1020 CD LYS A 211 8.090 -8.606 8.312 1.00 0.00 C ATOM 1021 CE LYS A 211 8.940 -7.403 8.692 1.00 0.00 C ATOM 1022 NZ LYS A 211 8.601 -6.890 10.048 1.00 0.00 N ATOM 0 H LYS A 211 5.619 -9.686 5.905 1.00 0.00 H new ATOM 0 HA LYS A 211 4.916 -7.038 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 211 7.704 -8.245 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 211 7.343 -6.628 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 211 6.304 -7.416 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 211 6.085 -9.031 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 211 7.902 -9.214 9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 211 8.637 -9.231 7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 211 9.994 -7.679 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 211 8.796 -6.610 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 9.202 -6.071 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 7.602 -6.603 10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 8.762 -7.638 10.752 1.00 0.00 H new ATOM 1036 N LEU A 212 6.559 -7.792 3.210 1.00 0.00 N ATOM 1037 CA LEU A 212 6.872 -7.319 1.865 1.00 0.00 C ATOM 1038 C LEU A 212 5.598 -7.084 1.060 1.00 0.00 C ATOM 1039 O LEU A 212 5.405 -6.014 0.484 1.00 0.00 O ATOM 1040 CB LEU A 212 7.766 -8.330 1.144 1.00 0.00 C ATOM 1041 CG LEU A 212 9.246 -8.311 1.528 1.00 0.00 C ATOM 1042 CD1 LEU A 212 9.937 -9.579 1.052 1.00 0.00 C ATOM 1043 CD2 LEU A 212 9.931 -7.080 0.953 1.00 0.00 C ATOM 0 H LEU A 212 6.859 -8.748 3.402 1.00 0.00 H new ATOM 0 HA LEU A 212 7.403 -6.371 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 212 7.375 -9.330 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 212 7.687 -8.154 0.071 1.00 0.00 H new ATOM 0 HG LEU A 212 9.319 -8.268 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 212 10.989 -9.548 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 212 9.464 -10.446 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 212 9.854 -9.653 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 212 10.983 -7.083 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 212 9.848 -7.092 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 212 9.453 -6.182 1.344 1.00 0.00 H new ATOM 1055 N ALA A 213 4.731 -8.091 1.027 1.00 0.00 N ATOM 1056 CA ALA A 213 3.474 -7.992 0.297 1.00 0.00 C ATOM 1057 C ALA A 213 2.827 -6.626 0.499 1.00 0.00 C ATOM 1058 O ALA A 213 2.553 -5.909 -0.463 1.00 0.00 O ATOM 1059 CB ALA A 213 2.523 -9.098 0.731 1.00 0.00 C ATOM 0 H ALA A 213 4.877 -8.984 1.497 1.00 0.00 H new ATOM 0 HA ALA A 213 3.690 -8.109 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 213 1.588 -9.012 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 213 2.977 -10.068 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 213 2.322 -9.007 1.799 1.00 0.00 H new ATOM 1065 N LYS A 214 2.586 -6.271 1.756 1.00 0.00 N ATOM 1066 CA LYS A 214 1.972 -4.990 2.086 1.00 0.00 C ATOM 1067 C LYS A 214 2.553 -3.871 1.228 1.00 0.00 C ATOM 1068 O LYS A 214 1.816 -3.060 0.667 1.00 0.00 O ATOM 1069 CB LYS A 214 2.176 -4.670 3.568 1.00 0.00 C ATOM 1070 CG LYS A 214 1.089 -3.786 4.155 1.00 0.00 C ATOM 1071 CD LYS A 214 0.981 -3.961 5.661 1.00 0.00 C ATOM 1072 CE LYS A 214 1.897 -2.998 6.401 1.00 0.00 C ATOM 1073 NZ LYS A 214 3.247 -3.583 6.631 1.00 0.00 N ATOM 0 H LYS A 214 2.807 -6.853 2.564 1.00 0.00 H new ATOM 0 HA LYS A 214 0.904 -5.064 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 214 2.217 -5.603 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 214 3.141 -4.179 3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 214 1.303 -2.743 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 214 0.133 -4.026 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -0.050 -3.797 5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 214 1.237 -4.986 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 214 1.994 -2.076 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 214 1.448 -2.733 7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 3.608 -3.270 7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 3.182 -4.621 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 3.894 -3.268 5.881 1.00 0.00 H new ATOM 1087 N ARG A 215 3.878 -3.835 1.129 1.00 0.00 N ATOM 1088 CA ARG A 215 4.557 -2.815 0.339 1.00 0.00 C ATOM 1089 C ARG A 215 4.277 -3.004 -1.149 1.00 0.00 C ATOM 1090 O ARG A 215 4.022 -2.041 -1.869 1.00 0.00 O ATOM 1091 CB ARG A 215 6.065 -2.862 0.595 1.00 0.00 C ATOM 1092 CG ARG A 215 6.440 -2.696 2.059 1.00 0.00 C ATOM 1093 CD ARG A 215 7.830 -3.243 2.344 1.00 0.00 C ATOM 1094 NE ARG A 215 8.431 -2.624 3.522 1.00 0.00 N ATOM 1095 CZ ARG A 215 9.713 -2.748 3.844 1.00 0.00 C ATOM 1096 NH1 ARG A 215 10.526 -3.464 3.079 1.00 0.00 N ATOM 1097 NH2 ARG A 215 10.186 -2.155 4.933 1.00 0.00 N ATOM 0 H ARG A 215 4.502 -4.500 1.586 1.00 0.00 H new ATOM 0 HA ARG A 215 4.174 -1.841 0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 215 6.457 -3.813 0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 215 6.548 -2.077 0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 215 6.401 -1.640 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 215 5.710 -3.211 2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 215 7.772 -4.321 2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 215 8.471 -3.073 1.479 1.00 0.00 H new ATOM 0 HE ARG A 215 7.833 -2.066 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 215 10.167 -3.921 2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 215 11.511 -3.558 3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 215 9.564 -1.603 5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 215 11.171 -2.251 5.179 1.00 0.00 H new ATOM 1111 N ASN A 216 4.328 -4.253 -1.601 1.00 0.00 N ATOM 1112 CA ASN A 216 4.080 -4.568 -3.004 1.00 0.00 C ATOM 1113 C ASN A 216 2.702 -4.078 -3.436 1.00 0.00 C ATOM 1114 O ASN A 216 2.559 -3.432 -4.474 1.00 0.00 O ATOM 1115 CB ASN A 216 4.194 -6.076 -3.237 1.00 0.00 C ATOM 1116 CG ASN A 216 4.371 -6.423 -4.702 1.00 0.00 C ATOM 1117 OD1 ASN A 216 5.478 -6.716 -5.153 1.00 0.00 O ATOM 1118 ND2 ASN A 216 3.276 -6.391 -5.454 1.00 0.00 N ATOM 0 H ASN A 216 4.538 -5.063 -1.017 1.00 0.00 H new ATOM 0 HA ASN A 216 4.832 -4.056 -3.604 1.00 0.00 H new ATOM 0 HB2 ASN A 216 5.039 -6.466 -2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 216 3.300 -6.568 -2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 216 3.333 -6.615 -6.447 1.00 0.00 H new ATOM 0 HD22 ASN A 216 2.379 -6.143 -5.038 1.00 0.00 H new ATOM 1125 N ALA A 217 1.690 -4.391 -2.634 1.00 0.00 N ATOM 1126 CA ALA A 217 0.324 -3.980 -2.932 1.00 0.00 C ATOM 1127 C ALA A 217 0.185 -2.462 -2.890 1.00 0.00 C ATOM 1128 O ALA A 217 -0.338 -1.851 -3.822 1.00 0.00 O ATOM 1129 CB ALA A 217 -0.647 -4.628 -1.955 1.00 0.00 C ATOM 0 H ALA A 217 1.791 -4.928 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 217 0.083 -4.312 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -1.664 -4.312 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -0.576 -5.713 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -0.398 -4.324 -0.938 1.00 0.00 H new ATOM 1135 N ALA A 218 0.656 -1.859 -1.803 1.00 0.00 N ATOM 1136 CA ALA A 218 0.585 -0.412 -1.641 1.00 0.00 C ATOM 1137 C ALA A 218 1.264 0.304 -2.804 1.00 0.00 C ATOM 1138 O ALA A 218 0.651 1.131 -3.479 1.00 0.00 O ATOM 1139 CB ALA A 218 1.219 0.002 -0.321 1.00 0.00 C ATOM 0 H ALA A 218 1.091 -2.350 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 218 -0.466 -0.122 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.159 1.085 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 218 0.688 -0.475 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 218 2.264 -0.307 -0.307 1.00 0.00 H new ATOM 1145 N ALA A 219 2.533 -0.018 -3.032 1.00 0.00 N ATOM 1146 CA ALA A 219 3.294 0.594 -4.114 1.00 0.00 C ATOM 1147 C ALA A 219 2.464 0.674 -5.391 1.00 0.00 C ATOM 1148 O ALA A 219 2.267 1.754 -5.949 1.00 0.00 O ATOM 1149 CB ALA A 219 4.577 -0.185 -4.364 1.00 0.00 C ATOM 0 H ALA A 219 3.056 -0.699 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 219 3.552 1.610 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 219 5.135 0.284 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 219 5.184 -0.186 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 219 4.332 -1.211 -4.638 1.00 0.00 H new ATOM 1155 N LYS A 220 1.981 -0.475 -5.850 1.00 0.00 N ATOM 1156 CA LYS A 220 1.172 -0.535 -7.062 1.00 0.00 C ATOM 1157 C LYS A 220 -0.025 0.405 -6.965 1.00 0.00 C ATOM 1158 O LYS A 220 -0.354 1.107 -7.920 1.00 0.00 O ATOM 1159 CB LYS A 220 0.690 -1.967 -7.307 1.00 0.00 C ATOM 1160 CG LYS A 220 1.705 -2.835 -8.032 1.00 0.00 C ATOM 1161 CD LYS A 220 1.844 -2.430 -9.490 1.00 0.00 C ATOM 1162 CE LYS A 220 2.724 -3.405 -10.257 1.00 0.00 C ATOM 1163 NZ LYS A 220 4.132 -3.382 -9.772 1.00 0.00 N ATOM 0 H LYS A 220 2.136 -1.378 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 220 1.793 -0.218 -7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 220 0.448 -2.429 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 220 -0.231 -1.937 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 220 2.673 -2.755 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 220 1.401 -3.880 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 220 0.858 -2.387 -9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 220 2.269 -1.428 -9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 220 2.322 -4.413 -10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 220 2.701 -3.157 -11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 220 4.710 -4.022 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 220 4.508 -2.415 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 220 4.163 -3.693 -8.780 1.00 0.00 H new ATOM 1177 N MET A 221 -0.672 0.414 -5.803 1.00 0.00 N ATOM 1178 CA MET A 221 -1.831 1.271 -5.581 1.00 0.00 C ATOM 1179 C MET A 221 -1.503 2.725 -5.909 1.00 0.00 C ATOM 1180 O MET A 221 -2.314 3.436 -6.504 1.00 0.00 O ATOM 1181 CB MET A 221 -2.305 1.158 -4.131 1.00 0.00 C ATOM 1182 CG MET A 221 -3.570 1.951 -3.842 1.00 0.00 C ATOM 1183 SD MET A 221 -4.960 1.442 -4.872 1.00 0.00 S ATOM 1184 CE MET A 221 -5.599 0.066 -3.921 1.00 0.00 C ATOM 0 H MET A 221 -0.413 -0.162 -5.002 1.00 0.00 H new ATOM 0 HA MET A 221 -2.630 0.939 -6.244 1.00 0.00 H new ATOM 0 HB2 MET A 221 -2.482 0.108 -3.896 1.00 0.00 H new ATOM 0 HB3 MET A 221 -1.510 1.503 -3.470 1.00 0.00 H new ATOM 0 HG2 MET A 221 -3.838 1.831 -2.792 1.00 0.00 H new ATOM 0 HG3 MET A 221 -3.374 3.011 -4.001 1.00 0.00 H new ATOM 0 HE1 MET A 221 -5.294 -0.871 -4.387 1.00 0.00 H new ATOM 0 HE2 MET A 221 -5.205 0.111 -2.906 1.00 0.00 H new ATOM 0 HE3 MET A 221 -6.687 0.119 -3.891 1.00 0.00 H new ATOM 1194 N LEU A 222 -0.311 3.160 -5.517 1.00 0.00 N ATOM 1195 CA LEU A 222 0.124 4.530 -5.769 1.00 0.00 C ATOM 1196 C LEU A 222 -0.126 4.922 -7.222 1.00 0.00 C ATOM 1197 O LEU A 222 -0.671 5.990 -7.503 1.00 0.00 O ATOM 1198 CB LEU A 222 1.609 4.684 -5.436 1.00 0.00 C ATOM 1199 CG LEU A 222 2.043 4.184 -4.057 1.00 0.00 C ATOM 1200 CD1 LEU A 222 3.559 4.188 -3.941 1.00 0.00 C ATOM 1201 CD2 LEU A 222 1.420 5.037 -2.961 1.00 0.00 C ATOM 0 H LEU A 222 0.372 2.585 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 222 -0.457 5.193 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 222 2.187 4.152 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 222 1.872 5.739 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 222 1.693 3.159 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 222 3.849 3.829 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 222 3.984 3.535 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 222 3.932 5.202 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 222 1.739 4.667 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 222 1.740 6.072 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 222 0.334 4.983 -3.031 1.00 0.00 H new ATOM 1213 N LEU A 223 0.274 4.051 -8.142 1.00 0.00 N ATOM 1214 CA LEU A 223 0.091 4.304 -9.567 1.00 0.00 C ATOM 1215 C LEU A 223 -1.386 4.258 -9.943 1.00 0.00 C ATOM 1216 O LEU A 223 -1.872 5.102 -10.695 1.00 0.00 O ATOM 1217 CB LEU A 223 0.872 3.280 -10.391 1.00 0.00 C ATOM 1218 CG LEU A 223 2.396 3.352 -10.283 1.00 0.00 C ATOM 1219 CD1 LEU A 223 3.028 2.064 -10.787 1.00 0.00 C ATOM 1220 CD2 LEU A 223 2.930 4.549 -11.056 1.00 0.00 C ATOM 0 H LEU A 223 0.727 3.163 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 223 0.471 5.302 -9.786 1.00 0.00 H new ATOM 0 HB2 LEU A 223 0.553 2.282 -10.090 1.00 0.00 H new ATOM 0 HB3 LEU A 223 0.596 3.400 -11.439 1.00 0.00 H new ATOM 0 HG LEU A 223 2.661 3.476 -9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 223 4.112 2.134 -10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 223 2.671 1.225 -10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 223 2.755 1.909 -11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 223 4.016 4.584 -10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 223 2.654 4.456 -12.106 1.00 0.00 H new ATOM 0 HD23 LEU A 223 2.503 5.465 -10.648 1.00 0.00 H new ATOM 1232 N ARG A 224 -2.095 3.266 -9.413 1.00 0.00 N ATOM 1233 CA ARG A 224 -3.517 3.110 -9.693 1.00 0.00 C ATOM 1234 C ARG A 224 -4.288 4.371 -9.312 1.00 0.00 C ATOM 1235 O ARG A 224 -4.953 4.982 -10.149 1.00 0.00 O ATOM 1236 CB ARG A 224 -4.079 1.907 -8.934 1.00 0.00 C ATOM 1237 CG ARG A 224 -3.365 0.602 -9.246 1.00 0.00 C ATOM 1238 CD ARG A 224 -3.704 0.101 -10.641 1.00 0.00 C ATOM 1239 NE ARG A 224 -5.051 -0.458 -10.710 1.00 0.00 N ATOM 1240 CZ ARG A 224 -5.483 -1.214 -11.713 1.00 0.00 C ATOM 1241 NH1 ARG A 224 -4.677 -1.500 -12.726 1.00 0.00 N ATOM 1242 NH2 ARG A 224 -6.723 -1.687 -11.703 1.00 0.00 N ATOM 0 H ARG A 224 -1.708 2.559 -8.788 1.00 0.00 H new ATOM 0 HA ARG A 224 -3.634 2.943 -10.764 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -4.013 2.100 -7.863 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -5.137 1.799 -9.174 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -2.288 0.746 -9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -3.644 -0.152 -8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -3.616 0.922 -11.352 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -2.981 -0.658 -10.939 1.00 0.00 H new ATOM 0 HE ARG A 224 -5.696 -0.257 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -3.723 -1.139 -12.736 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -5.011 -2.081 -13.495 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -7.345 -1.470 -10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -7.054 -2.267 -12.474 1.00 0.00 H new ATOM 1256 N VAL A 225 -4.195 4.754 -8.042 1.00 0.00 N ATOM 1257 CA VAL A 225 -4.882 5.942 -7.550 1.00 0.00 C ATOM 1258 C VAL A 225 -4.369 7.200 -8.241 1.00 0.00 C ATOM 1259 O VAL A 225 -5.101 8.177 -8.397 1.00 0.00 O ATOM 1260 CB VAL A 225 -4.710 6.099 -6.028 1.00 0.00 C ATOM 1261 CG1 VAL A 225 -5.368 4.941 -5.293 1.00 0.00 C ATOM 1262 CG2 VAL A 225 -3.236 6.202 -5.666 1.00 0.00 C ATOM 0 H VAL A 225 -3.651 4.259 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 225 -5.940 5.813 -7.777 1.00 0.00 H new ATOM 0 HB VAL A 225 -5.202 7.021 -5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -5.236 5.070 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -6.432 4.919 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -4.908 4.003 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -3.133 6.312 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -2.718 5.299 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -2.799 7.068 -6.163 1.00 0.00 H new