USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 505 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 331 MET CE :methyl -145:sc= -0.187 (180deg=-0.875) USER MOD Set 1.2: A 347 LYS NZ :NH3+ -112:sc= -0.0348 (180deg=-0.00823) USER MOD Set 2.1: A 305 HIS : no HE2:sc= 0.724 K(o=1.7,f=-4.5) USER MOD Set 2.2: A 343 SER OG : rot -139:sc= 0.944 USER MOD Single : A 274 TYR OH : rot 180:sc= 0 USER MOD Single : A 278 THR OG1 : rot 24:sc= 0.183 USER MOD Single : A 279 LYS NZ :NH3+ -126:sc= -0.401 (180deg=-1.74!) USER MOD Single : A 281 THR OG1 : rot 180:sc= 0 USER MOD Single : A 285 THR OG1 : rot -30:sc= 0.0865 USER MOD Single : A 286 ASN : amide:sc= 0.392 X(o=0.39,f=-0.024) USER MOD Single : A 288 THR OG1 : rot -75:sc= 1.28 USER MOD Single : A 290 TYR OH : rot 180:sc= 0 USER MOD Single : A 292 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 323 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 348 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 349 CYS SG : rot 56:sc= 0.109 USER MOD Single : A 350 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.692) USER MOD Single : A 352 ASN : amide:sc= 0.916 K(o=0.92,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 126 N TYR A 274 16.620 -1.618 -3.918 1.00 0.00 N ATOM 127 CA TYR A 274 15.478 -1.977 -4.751 1.00 0.00 C ATOM 128 C TYR A 274 14.861 -0.686 -5.306 1.00 0.00 C ATOM 129 O TYR A 274 14.954 0.348 -4.633 1.00 0.00 O ATOM 130 CB TYR A 274 14.410 -2.786 -3.953 1.00 0.00 C ATOM 131 CG TYR A 274 14.991 -4.120 -3.564 1.00 0.00 C ATOM 132 CD1 TYR A 274 15.030 -5.156 -4.477 1.00 0.00 C ATOM 133 CD2 TYR A 274 15.539 -4.318 -2.306 1.00 0.00 C ATOM 134 CE1 TYR A 274 15.606 -6.368 -4.142 1.00 0.00 C ATOM 135 CE2 TYR A 274 16.110 -5.528 -1.964 1.00 0.00 C ATOM 136 CZ TYR A 274 16.145 -6.552 -2.887 1.00 0.00 C ATOM 137 OH TYR A 274 16.728 -7.790 -2.555 1.00 0.00 O ATOM 0 HA TYR A 274 15.820 -2.618 -5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 274 14.108 -2.234 -3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 274 13.515 -2.928 -4.559 1.00 0.00 H new ATOM 0 HD1 TYR A 274 14.607 -5.018 -5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 274 15.519 -3.515 -1.584 1.00 0.00 H new ATOM 0 HE1 TYR A 274 15.633 -7.171 -4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 274 16.527 -5.672 -0.978 1.00 0.00 H new ATOM 0 HH TYR A 274 17.063 -7.758 -1.634 1.00 0.00 H new ATOM 147 N PRO A 275 14.244 -0.684 -6.522 1.00 0.00 N ATOM 148 CA PRO A 275 13.606 0.486 -7.140 1.00 0.00 C ATOM 149 C PRO A 275 12.337 1.009 -6.444 1.00 0.00 C ATOM 150 O PRO A 275 11.840 0.454 -5.464 1.00 0.00 O ATOM 151 CB PRO A 275 13.292 0.020 -8.587 1.00 0.00 C ATOM 152 CG PRO A 275 14.256 -1.137 -8.838 1.00 0.00 C ATOM 153 CD PRO A 275 14.289 -1.804 -7.466 1.00 0.00 C ATOM 0 HA PRO A 275 14.277 1.343 -7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 275 12.255 -0.300 -8.684 1.00 0.00 H new ATOM 0 HB3 PRO A 275 13.445 0.826 -9.305 1.00 0.00 H new ATOM 0 HG2 PRO A 275 13.895 -1.812 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 275 15.241 -0.791 -9.150 1.00 0.00 H new ATOM 0 HD2 PRO A 275 13.441 -2.475 -7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 275 15.192 -2.400 -7.334 1.00 0.00 H new ATOM 161 N GLU A 276 11.795 2.117 -6.981 1.00 0.00 N ATOM 162 CA GLU A 276 10.636 2.797 -6.461 1.00 0.00 C ATOM 163 C GLU A 276 9.938 3.368 -7.669 1.00 0.00 C ATOM 164 O GLU A 276 10.601 3.875 -8.572 1.00 0.00 O ATOM 165 CB GLU A 276 11.023 3.872 -5.405 1.00 0.00 C ATOM 166 CG GLU A 276 12.368 4.595 -5.614 1.00 0.00 C ATOM 167 CD GLU A 276 12.544 5.652 -4.523 1.00 0.00 C ATOM 168 OE1 GLU A 276 12.591 5.264 -3.325 1.00 0.00 O ATOM 169 OE2 GLU A 276 12.636 6.858 -4.875 1.00 0.00 O ATOM 0 H GLU A 276 12.177 2.563 -7.815 1.00 0.00 H new ATOM 0 HA GLU A 276 9.972 2.125 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 276 10.233 4.623 -5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 276 11.042 3.395 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 276 13.189 3.879 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 276 12.394 5.063 -6.598 1.00 0.00 H new ATOM 176 N GLY A 277 8.578 3.235 -7.751 1.00 0.00 N ATOM 177 CA GLY A 277 7.808 3.671 -8.920 1.00 0.00 C ATOM 178 C GLY A 277 7.377 2.534 -9.775 1.00 0.00 C ATOM 179 O GLY A 277 6.756 2.665 -10.822 1.00 0.00 O ATOM 0 H GLY A 277 8.008 2.826 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 277 6.930 4.224 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 277 8.412 4.358 -9.513 1.00 0.00 H new ATOM 183 N THR A 278 7.692 1.359 -9.233 1.00 0.00 N ATOM 184 CA THR A 278 7.361 0.001 -9.641 1.00 0.00 C ATOM 185 C THR A 278 6.143 -0.339 -8.808 1.00 0.00 C ATOM 186 O THR A 278 6.201 -0.263 -7.580 1.00 0.00 O ATOM 187 CB THR A 278 8.471 -1.050 -9.409 1.00 0.00 C ATOM 188 OG1 THR A 278 8.874 -1.177 -8.048 1.00 0.00 O ATOM 189 CG2 THR A 278 9.737 -0.672 -10.191 1.00 0.00 C ATOM 0 H THR A 278 8.260 1.339 -8.386 1.00 0.00 H new ATOM 0 HA THR A 278 7.206 -0.030 -10.719 1.00 0.00 H new ATOM 0 HB THR A 278 8.033 -1.991 -9.741 1.00 0.00 H new ATOM 0 HG1 THR A 278 8.149 -0.873 -7.463 1.00 0.00 H new ATOM 0 HG21 THR A 278 10.509 -1.421 -10.017 1.00 0.00 H new ATOM 0 HG22 THR A 278 9.507 -0.627 -11.256 1.00 0.00 H new ATOM 0 HG23 THR A 278 10.095 0.302 -9.856 1.00 0.00 H new ATOM 197 N LYS A 279 5.000 -0.688 -9.422 1.00 0.00 N ATOM 198 CA LYS A 279 3.768 -0.966 -8.691 1.00 0.00 C ATOM 199 C LYS A 279 3.620 -2.411 -8.299 1.00 0.00 C ATOM 200 O LYS A 279 4.125 -3.330 -8.943 1.00 0.00 O ATOM 201 CB LYS A 279 2.520 -0.431 -9.439 1.00 0.00 C ATOM 202 CG LYS A 279 2.339 -0.958 -10.873 1.00 0.00 C ATOM 203 CD LYS A 279 2.283 0.149 -11.943 1.00 0.00 C ATOM 204 CE LYS A 279 3.581 0.952 -12.146 1.00 0.00 C ATOM 205 NZ LYS A 279 4.690 0.087 -12.613 1.00 0.00 N ATOM 0 H LYS A 279 4.912 -0.783 -10.434 1.00 0.00 H new ATOM 0 HA LYS A 279 3.845 -0.415 -7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 279 1.632 -0.687 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 279 2.576 0.657 -9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 279 3.161 -1.635 -11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 279 1.421 -1.543 -10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 279 2.007 -0.305 -12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 279 1.486 0.844 -11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 279 3.408 1.747 -12.872 1.00 0.00 H new ATOM 0 HE3 LYS A 279 3.863 1.432 -11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 279 5.507 0.198 -11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 279 4.381 -0.906 -12.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 279 4.961 0.361 -13.579 1.00 0.00 H new ATOM 219 N LEU A 280 2.975 -2.570 -7.130 1.00 0.00 N ATOM 220 CA LEU A 280 2.834 -3.806 -6.388 1.00 0.00 C ATOM 221 C LEU A 280 1.385 -3.957 -6.082 1.00 0.00 C ATOM 222 O LEU A 280 0.542 -3.107 -6.326 1.00 0.00 O ATOM 223 CB LEU A 280 3.705 -3.774 -5.089 1.00 0.00 C ATOM 224 CG LEU A 280 5.081 -4.491 -5.189 1.00 0.00 C ATOM 225 CD1 LEU A 280 4.949 -6.020 -5.199 1.00 0.00 C ATOM 226 CD2 LEU A 280 5.938 -4.067 -6.390 1.00 0.00 C ATOM 0 H LEU A 280 2.517 -1.787 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 280 3.187 -4.660 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 280 3.876 -2.734 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 280 3.135 -4.230 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 280 5.596 -4.168 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 280 5.939 -6.470 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 280 4.466 -6.350 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 280 4.348 -6.328 -6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 280 6.878 -4.618 -6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 280 5.402 -4.283 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 280 6.143 -2.998 -6.331 1.00 0.00 H new ATOM 238 N THR A 281 1.061 -5.105 -5.506 1.00 0.00 N ATOM 239 CA THR A 281 -0.265 -5.410 -5.003 1.00 0.00 C ATOM 240 C THR A 281 -0.043 -5.850 -3.582 1.00 0.00 C ATOM 241 O THR A 281 0.962 -6.481 -3.250 1.00 0.00 O ATOM 242 CB THR A 281 -1.082 -6.371 -5.898 1.00 0.00 C ATOM 243 OG1 THR A 281 -1.996 -5.619 -6.681 1.00 0.00 O ATOM 244 CG2 THR A 281 -1.949 -7.425 -5.177 1.00 0.00 C ATOM 0 H THR A 281 1.728 -5.865 -5.374 1.00 0.00 H new ATOM 0 HA THR A 281 -0.923 -4.542 -5.027 1.00 0.00 H new ATOM 0 HB THR A 281 -0.313 -6.903 -6.459 1.00 0.00 H new ATOM 0 HG1 THR A 281 -2.514 -6.225 -7.251 1.00 0.00 H new ATOM 0 HG21 THR A 281 -2.470 -8.034 -5.915 1.00 0.00 H new ATOM 0 HG22 THR A 281 -1.312 -8.063 -4.564 1.00 0.00 H new ATOM 0 HG23 THR A 281 -2.678 -6.923 -4.541 1.00 0.00 H new ATOM 252 N GLY A 282 -1.004 -5.470 -2.716 1.00 0.00 N ATOM 253 CA GLY A 282 -1.010 -5.856 -1.309 1.00 0.00 C ATOM 254 C GLY A 282 -2.362 -5.672 -0.754 1.00 0.00 C ATOM 255 O GLY A 282 -3.281 -5.154 -1.388 1.00 0.00 O ATOM 0 H GLY A 282 -1.796 -4.885 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -0.701 -6.896 -1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.292 -5.253 -0.753 1.00 0.00 H new ATOM 259 N ARG A 283 -2.505 -6.125 0.502 1.00 0.00 N ATOM 260 CA ARG A 283 -3.776 -6.098 1.220 1.00 0.00 C ATOM 261 C ARG A 283 -3.588 -5.243 2.431 1.00 0.00 C ATOM 262 O ARG A 283 -2.564 -5.307 3.093 1.00 0.00 O ATOM 263 CB ARG A 283 -4.264 -7.509 1.664 1.00 0.00 C ATOM 264 CG ARG A 283 -4.418 -8.510 0.506 1.00 0.00 C ATOM 265 CD ARG A 283 -5.310 -9.718 0.833 1.00 0.00 C ATOM 266 NE ARG A 283 -6.732 -9.247 1.001 1.00 0.00 N ATOM 267 CZ ARG A 283 -7.806 -10.095 1.052 1.00 0.00 C ATOM 268 NH1 ARG A 283 -7.632 -11.448 1.017 1.00 0.00 N ATOM 269 NH2 ARG A 283 -9.067 -9.580 1.130 1.00 0.00 N ATOM 0 H ARG A 283 -1.736 -6.520 1.044 1.00 0.00 H new ATOM 0 HA ARG A 283 -4.538 -5.705 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 283 -3.559 -7.914 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 283 -5.223 -7.407 2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 283 -4.833 -7.989 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 283 -3.430 -8.869 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 283 -5.250 -10.457 0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 283 -4.965 -10.205 1.745 1.00 0.00 H new ATOM 0 HE ARG A 283 -6.903 -8.245 1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 283 -6.693 -11.840 0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 283 -8.441 -12.067 1.056 1.00 0.00 H new ATOM 0 HH21 ARG A 283 -9.205 -8.570 1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 283 -9.872 -10.205 1.168 1.00 0.00 H new ATOM 283 N VAL A 284 -4.560 -4.386 2.775 1.00 0.00 N ATOM 284 CA VAL A 284 -4.421 -3.440 3.900 1.00 0.00 C ATOM 285 C VAL A 284 -4.738 -4.013 5.266 1.00 0.00 C ATOM 286 O VAL A 284 -5.754 -4.679 5.484 1.00 0.00 O ATOM 287 CB VAL A 284 -5.312 -2.216 3.713 1.00 0.00 C ATOM 288 CG1 VAL A 284 -5.060 -1.116 4.761 1.00 0.00 C ATOM 289 CG2 VAL A 284 -4.998 -1.659 2.322 1.00 0.00 C ATOM 0 H VAL A 284 -5.455 -4.326 2.290 1.00 0.00 H new ATOM 0 HA VAL A 284 -3.362 -3.182 3.880 1.00 0.00 H new ATOM 0 HB VAL A 284 -6.353 -2.517 3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 284 -5.726 -0.274 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 284 -5.251 -1.513 5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 284 -4.025 -0.782 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 284 -5.612 -0.777 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 284 -3.944 -1.385 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 284 -5.214 -2.417 1.569 1.00 0.00 H new ATOM 299 N THR A 285 -3.819 -3.722 6.220 1.00 0.00 N ATOM 300 CA THR A 285 -3.898 -4.294 7.569 1.00 0.00 C ATOM 301 C THR A 285 -3.652 -3.392 8.786 1.00 0.00 C ATOM 302 O THR A 285 -4.121 -3.758 9.868 1.00 0.00 O ATOM 303 CB THR A 285 -3.128 -5.620 7.644 1.00 0.00 C ATOM 304 OG1 THR A 285 -3.549 -6.459 8.712 1.00 0.00 O ATOM 305 CG2 THR A 285 -1.611 -5.414 7.721 1.00 0.00 C ATOM 0 H THR A 285 -3.025 -3.099 6.073 1.00 0.00 H new ATOM 0 HA THR A 285 -4.968 -4.464 7.685 1.00 0.00 H new ATOM 0 HB THR A 285 -3.367 -6.127 6.709 1.00 0.00 H new ATOM 0 HG1 THR A 285 -3.876 -5.907 9.453 1.00 0.00 H new ATOM 0 HG21 THR A 285 -1.114 -6.383 7.772 1.00 0.00 H new ATOM 0 HG22 THR A 285 -1.271 -4.878 6.835 1.00 0.00 H new ATOM 0 HG23 THR A 285 -1.367 -4.834 8.611 1.00 0.00 H new ATOM 313 N ASN A 286 -2.892 -2.251 8.741 1.00 0.00 N ATOM 314 CA ASN A 286 -2.706 -1.402 9.927 1.00 0.00 C ATOM 315 C ASN A 286 -2.928 0.041 9.512 1.00 0.00 C ATOM 316 O ASN A 286 -3.027 0.353 8.328 1.00 0.00 O ATOM 317 CB ASN A 286 -1.299 -1.553 10.602 1.00 0.00 C ATOM 318 CG ASN A 286 -1.032 -2.815 11.435 1.00 0.00 C ATOM 319 OD1 ASN A 286 0.104 -3.008 11.871 1.00 0.00 O ATOM 320 ND2 ASN A 286 -2.048 -3.670 11.677 1.00 0.00 N ATOM 0 H ASN A 286 -2.414 -1.918 7.904 1.00 0.00 H new ATOM 0 HA ASN A 286 -3.428 -1.722 10.678 1.00 0.00 H new ATOM 0 HB2 ASN A 286 -0.545 -1.505 9.817 1.00 0.00 H new ATOM 0 HB3 ASN A 286 -1.143 -0.688 11.247 1.00 0.00 H new ATOM 0 HD21 ASN A 286 -1.887 -4.507 12.237 1.00 0.00 H new ATOM 0 HD22 ASN A 286 -2.976 -3.479 11.300 1.00 0.00 H new ATOM 327 N LEU A 287 -2.919 0.986 10.485 1.00 0.00 N ATOM 328 CA LEU A 287 -2.864 2.420 10.237 1.00 0.00 C ATOM 329 C LEU A 287 -1.634 2.959 10.914 1.00 0.00 C ATOM 330 O LEU A 287 -1.148 2.409 11.902 1.00 0.00 O ATOM 331 CB LEU A 287 -4.170 3.196 10.596 1.00 0.00 C ATOM 332 CG LEU A 287 -4.733 3.973 9.380 1.00 0.00 C ATOM 333 CD1 LEU A 287 -5.253 2.998 8.309 1.00 0.00 C ATOM 334 CD2 LEU A 287 -5.792 5.020 9.757 1.00 0.00 C ATOM 0 H LEU A 287 -2.951 0.752 11.477 1.00 0.00 H new ATOM 0 HA LEU A 287 -2.792 2.583 9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 287 -4.921 2.494 10.958 1.00 0.00 H new ATOM 0 HB3 LEU A 287 -3.966 3.893 11.409 1.00 0.00 H new ATOM 0 HG LEU A 287 -3.902 4.541 8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 287 -5.645 3.562 7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 287 -4.437 2.358 7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 287 -6.046 2.382 8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 287 -6.141 5.525 8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 287 -6.632 4.528 10.246 1.00 0.00 H new ATOM 0 HD23 LEU A 287 -5.355 5.752 10.436 1.00 0.00 H new ATOM 346 N THR A 288 -1.084 4.059 10.345 1.00 0.00 N ATOM 347 CA THR A 288 0.089 4.771 10.866 1.00 0.00 C ATOM 348 C THR A 288 -0.387 6.137 11.338 1.00 0.00 C ATOM 349 O THR A 288 -1.553 6.492 11.189 1.00 0.00 O ATOM 350 CB THR A 288 1.268 4.875 9.884 1.00 0.00 C ATOM 351 OG1 THR A 288 1.244 3.824 8.935 1.00 0.00 O ATOM 352 CG2 THR A 288 2.618 4.759 10.615 1.00 0.00 C ATOM 0 H THR A 288 -1.458 4.478 9.493 1.00 0.00 H new ATOM 0 HA THR A 288 0.506 4.192 11.690 1.00 0.00 H new ATOM 0 HB THR A 288 1.166 5.845 9.398 1.00 0.00 H new ATOM 0 HG1 THR A 288 1.533 2.991 9.362 1.00 0.00 H new ATOM 0 HG21 THR A 288 3.431 4.836 9.893 1.00 0.00 H new ATOM 0 HG22 THR A 288 2.705 5.562 11.347 1.00 0.00 H new ATOM 0 HG23 THR A 288 2.675 3.797 11.123 1.00 0.00 H new ATOM 360 N ASP A 289 0.513 6.985 11.904 1.00 0.00 N ATOM 361 CA ASP A 289 0.256 8.353 12.384 1.00 0.00 C ATOM 362 C ASP A 289 -0.118 9.375 11.306 1.00 0.00 C ATOM 363 O ASP A 289 -0.853 10.329 11.547 1.00 0.00 O ATOM 364 CB ASP A 289 1.550 8.892 13.052 1.00 0.00 C ATOM 365 CG ASP A 289 1.802 8.160 14.372 1.00 0.00 C ATOM 366 OD1 ASP A 289 0.954 8.295 15.294 1.00 0.00 O ATOM 367 OD2 ASP A 289 2.844 7.458 14.473 1.00 0.00 O ATOM 0 H ASP A 289 1.486 6.710 12.041 1.00 0.00 H new ATOM 0 HA ASP A 289 -0.598 8.258 13.054 1.00 0.00 H new ATOM 0 HB2 ASP A 289 2.399 8.754 12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 289 1.457 9.963 13.233 1.00 0.00 H new ATOM 372 N TYR A 290 0.402 9.135 10.086 1.00 0.00 N ATOM 373 CA TYR A 290 0.159 9.896 8.882 1.00 0.00 C ATOM 374 C TYR A 290 0.326 8.968 7.705 1.00 0.00 C ATOM 375 O TYR A 290 0.907 9.249 6.661 1.00 0.00 O ATOM 376 CB TYR A 290 0.962 11.242 8.784 1.00 0.00 C ATOM 377 CG TYR A 290 2.393 11.155 9.298 1.00 0.00 C ATOM 378 CD1 TYR A 290 3.362 10.401 8.656 1.00 0.00 C ATOM 379 CD2 TYR A 290 2.772 11.870 10.425 1.00 0.00 C ATOM 380 CE1 TYR A 290 4.660 10.352 9.126 1.00 0.00 C ATOM 381 CE2 TYR A 290 4.076 11.842 10.888 1.00 0.00 C ATOM 382 CZ TYR A 290 5.027 11.087 10.233 1.00 0.00 C ATOM 383 OH TYR A 290 6.372 11.064 10.662 1.00 0.00 O ATOM 0 H TYR A 290 1.038 8.355 9.924 1.00 0.00 H new ATOM 0 HA TYR A 290 -0.866 10.266 8.894 1.00 0.00 H new ATOM 0 HB2 TYR A 290 0.981 11.566 7.743 1.00 0.00 H new ATOM 0 HB3 TYR A 290 0.432 12.010 9.347 1.00 0.00 H new ATOM 0 HD1 TYR A 290 3.097 9.841 7.771 1.00 0.00 H new ATOM 0 HD2 TYR A 290 2.036 12.460 10.951 1.00 0.00 H new ATOM 0 HE1 TYR A 290 5.391 9.735 8.624 1.00 0.00 H new ATOM 0 HE2 TYR A 290 4.350 12.412 11.764 1.00 0.00 H new ATOM 0 HH TYR A 290 6.473 11.633 11.454 1.00 0.00 H new ATOM 393 N GLY A 291 -0.263 7.774 7.872 1.00 0.00 N ATOM 394 CA GLY A 291 -0.285 6.827 6.774 1.00 0.00 C ATOM 395 C GLY A 291 -1.123 5.692 7.180 1.00 0.00 C ATOM 396 O GLY A 291 -1.879 5.747 8.145 1.00 0.00 O ATOM 0 H GLY A 291 -0.713 7.458 8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 291 -0.684 7.294 5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 291 0.725 6.492 6.538 1.00 0.00 H new ATOM 400 N CYS A 292 -0.987 4.617 6.410 1.00 0.00 N ATOM 401 CA CYS A 292 -1.695 3.366 6.556 1.00 0.00 C ATOM 402 C CYS A 292 -0.722 2.275 6.202 1.00 0.00 C ATOM 403 O CYS A 292 0.201 2.528 5.443 1.00 0.00 O ATOM 404 CB CYS A 292 -2.987 3.431 5.688 1.00 0.00 C ATOM 405 SG CYS A 292 -3.853 1.912 5.186 1.00 0.00 S ATOM 0 H CYS A 292 -0.339 4.603 5.623 1.00 0.00 H new ATOM 0 HA CYS A 292 -2.043 3.160 7.568 1.00 0.00 H new ATOM 0 HB2 CYS A 292 -3.706 4.045 6.231 1.00 0.00 H new ATOM 0 HB3 CYS A 292 -2.732 3.970 4.776 1.00 0.00 H new ATOM 0 HG CYS A 292 -4.896 2.222 4.475 1.00 0.00 H new ATOM 411 N PHE A 293 -0.871 1.028 6.720 1.00 0.00 N ATOM 412 CA PHE A 293 0.050 -0.054 6.331 1.00 0.00 C ATOM 413 C PHE A 293 -0.659 -1.149 5.568 1.00 0.00 C ATOM 414 O PHE A 293 -1.797 -1.568 5.823 1.00 0.00 O ATOM 415 CB PHE A 293 0.944 -0.741 7.394 1.00 0.00 C ATOM 416 CG PHE A 293 1.813 0.182 8.211 1.00 0.00 C ATOM 417 CD1 PHE A 293 3.070 0.523 7.741 1.00 0.00 C ATOM 418 CD2 PHE A 293 1.468 0.577 9.493 1.00 0.00 C ATOM 419 CE1 PHE A 293 3.970 1.197 8.543 1.00 0.00 C ATOM 420 CE2 PHE A 293 2.382 1.203 10.317 1.00 0.00 C ATOM 421 CZ PHE A 293 3.640 1.510 9.843 1.00 0.00 C ATOM 0 H PHE A 293 -1.596 0.759 7.385 1.00 0.00 H new ATOM 0 HA PHE A 293 0.747 0.530 5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 293 0.303 -1.303 8.073 1.00 0.00 H new ATOM 0 HB3 PHE A 293 1.586 -1.464 6.890 1.00 0.00 H new ATOM 0 HD1 PHE A 293 3.351 0.258 6.732 1.00 0.00 H new ATOM 0 HD2 PHE A 293 0.467 0.392 9.854 1.00 0.00 H new ATOM 0 HE1 PHE A 293 4.935 1.479 8.150 1.00 0.00 H new ATOM 0 HE2 PHE A 293 2.112 1.452 11.333 1.00 0.00 H new ATOM 0 HZ PHE A 293 4.361 1.992 10.486 1.00 0.00 H new ATOM 431 N VAL A 294 0.124 -1.631 4.579 1.00 0.00 N ATOM 432 CA VAL A 294 -0.224 -2.623 3.592 1.00 0.00 C ATOM 433 C VAL A 294 0.554 -3.860 3.889 1.00 0.00 C ATOM 434 O VAL A 294 1.747 -3.812 4.161 1.00 0.00 O ATOM 435 CB VAL A 294 0.208 -2.199 2.173 1.00 0.00 C ATOM 436 CG1 VAL A 294 -0.401 -3.120 1.102 1.00 0.00 C ATOM 437 CG2 VAL A 294 -0.235 -0.769 1.897 1.00 0.00 C ATOM 0 H VAL A 294 1.081 -1.300 4.459 1.00 0.00 H new ATOM 0 HA VAL A 294 -1.305 -2.761 3.629 1.00 0.00 H new ATOM 0 HB VAL A 294 1.294 -2.273 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 294 -0.077 -2.793 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 294 -0.070 -4.145 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 294 -1.489 -3.076 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 294 0.075 -0.479 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 294 -1.320 -0.703 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 294 0.223 -0.099 2.625 1.00 0.00 H new ATOM 447 N GLU A 295 -0.067 -5.032 3.767 1.00 0.00 N ATOM 448 CA GLU A 295 0.740 -6.270 3.707 1.00 0.00 C ATOM 449 C GLU A 295 0.873 -6.753 2.253 1.00 0.00 C ATOM 450 O GLU A 295 -0.130 -7.038 1.609 1.00 0.00 O ATOM 451 CB GLU A 295 0.241 -7.374 4.671 1.00 0.00 C ATOM 452 CG GLU A 295 0.981 -8.715 4.500 1.00 0.00 C ATOM 453 CD GLU A 295 0.903 -9.547 5.775 1.00 0.00 C ATOM 454 OE1 GLU A 295 -0.238 -9.856 6.212 1.00 0.00 O ATOM 455 OE2 GLU A 295 1.982 -9.888 6.329 1.00 0.00 O ATOM 0 H GLU A 295 -1.077 -5.160 3.709 1.00 0.00 H new ATOM 0 HA GLU A 295 1.739 -6.027 4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 295 0.360 -7.030 5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 295 -0.825 -7.533 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 295 0.545 -9.272 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 295 2.025 -8.529 4.246 1.00 0.00 H new ATOM 462 N ILE A 296 2.117 -6.851 1.679 1.00 0.00 N ATOM 463 CA ILE A 296 2.364 -7.286 0.264 1.00 0.00 C ATOM 464 C ILE A 296 1.879 -8.693 -0.106 1.00 0.00 C ATOM 465 O ILE A 296 0.799 -8.938 -0.636 1.00 0.00 O ATOM 466 CB ILE A 296 3.804 -7.009 -0.241 1.00 0.00 C ATOM 467 CG1 ILE A 296 4.101 -5.491 -0.119 1.00 0.00 C ATOM 468 CG2 ILE A 296 4.031 -7.487 -1.713 1.00 0.00 C ATOM 469 CD1 ILE A 296 5.440 -5.071 -0.736 1.00 0.00 C ATOM 0 H ILE A 296 2.974 -6.630 2.186 1.00 0.00 H new ATOM 0 HA ILE A 296 1.702 -6.622 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 296 4.491 -7.582 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 296 3.298 -4.933 -0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 296 4.094 -5.212 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 296 5.056 -7.268 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 296 3.856 -8.561 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 296 3.340 -6.966 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 296 5.577 -3.997 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 296 6.252 -5.600 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 296 5.444 -5.317 -1.798 1.00 0.00 H new ATOM 481 N GLU A 297 2.750 -9.613 0.238 1.00 0.00 N ATOM 482 CA GLU A 297 2.674 -11.057 0.172 1.00 0.00 C ATOM 483 C GLU A 297 3.030 -11.374 1.589 1.00 0.00 C ATOM 484 O GLU A 297 3.783 -10.614 2.202 1.00 0.00 O ATOM 485 CB GLU A 297 3.682 -11.677 -0.832 1.00 0.00 C ATOM 486 CG GLU A 297 3.250 -11.479 -2.298 1.00 0.00 C ATOM 487 CD GLU A 297 4.331 -12.020 -3.234 1.00 0.00 C ATOM 488 OE1 GLU A 297 4.586 -13.253 -3.195 1.00 0.00 O ATOM 489 OE2 GLU A 297 4.913 -11.206 -4.001 1.00 0.00 O ATOM 0 H GLU A 297 3.650 -9.327 0.623 1.00 0.00 H new ATOM 0 HA GLU A 297 1.720 -11.449 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 297 4.663 -11.227 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 297 3.785 -12.743 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 297 2.307 -11.993 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 297 3.080 -10.421 -2.497 1.00 0.00 H new ATOM 496 N GLU A 298 2.481 -12.463 2.187 1.00 0.00 N ATOM 497 CA GLU A 298 2.645 -12.753 3.619 1.00 0.00 C ATOM 498 C GLU A 298 4.104 -12.887 4.133 1.00 0.00 C ATOM 499 O GLU A 298 4.870 -13.725 3.665 1.00 0.00 O ATOM 500 CB GLU A 298 1.863 -14.048 3.981 1.00 0.00 C ATOM 501 CG GLU A 298 0.375 -14.026 3.569 1.00 0.00 C ATOM 502 CD GLU A 298 -0.365 -12.895 4.283 1.00 0.00 C ATOM 503 OE1 GLU A 298 -0.444 -12.940 5.540 1.00 0.00 O ATOM 504 OE2 GLU A 298 -0.863 -11.973 3.582 1.00 0.00 O ATOM 0 H GLU A 298 1.919 -13.153 1.688 1.00 0.00 H new ATOM 0 HA GLU A 298 2.247 -11.871 4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 298 2.348 -14.898 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 298 1.928 -14.209 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.293 -13.897 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.089 -14.982 3.812 1.00 0.00 H new ATOM 511 N GLY A 299 4.493 -12.011 5.106 1.00 0.00 N ATOM 512 CA GLY A 299 5.842 -11.899 5.667 1.00 0.00 C ATOM 513 C GLY A 299 6.619 -10.699 5.198 1.00 0.00 C ATOM 514 O GLY A 299 7.665 -10.341 5.729 1.00 0.00 O ATOM 0 H GLY A 299 3.841 -11.348 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 299 5.767 -11.865 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 299 6.402 -12.799 5.414 1.00 0.00 H new ATOM 518 N VAL A 300 6.070 -10.028 4.180 1.00 0.00 N ATOM 519 CA VAL A 300 6.548 -8.796 3.552 1.00 0.00 C ATOM 520 C VAL A 300 5.464 -7.768 3.824 1.00 0.00 C ATOM 521 O VAL A 300 4.280 -8.093 3.820 1.00 0.00 O ATOM 522 CB VAL A 300 6.810 -8.950 2.046 1.00 0.00 C ATOM 523 CG1 VAL A 300 7.527 -7.707 1.474 1.00 0.00 C ATOM 524 CG2 VAL A 300 7.680 -10.198 1.791 1.00 0.00 C ATOM 0 H VAL A 300 5.212 -10.361 3.740 1.00 0.00 H new ATOM 0 HA VAL A 300 7.513 -8.502 3.965 1.00 0.00 H new ATOM 0 HB VAL A 300 5.847 -9.058 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 300 7.699 -7.845 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 300 6.906 -6.825 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 300 8.483 -7.573 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 300 7.862 -10.302 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 300 8.631 -10.091 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 300 7.162 -11.084 2.159 1.00 0.00 H new ATOM 534 N GLU A 301 5.795 -6.481 4.066 1.00 0.00 N ATOM 535 CA GLU A 301 4.778 -5.508 4.388 1.00 0.00 C ATOM 536 C GLU A 301 5.313 -4.193 3.930 1.00 0.00 C ATOM 537 O GLU A 301 6.521 -3.969 3.916 1.00 0.00 O ATOM 538 CB GLU A 301 4.338 -5.471 5.888 1.00 0.00 C ATOM 539 CG GLU A 301 5.473 -5.525 6.936 1.00 0.00 C ATOM 540 CD GLU A 301 5.939 -6.958 7.207 1.00 0.00 C ATOM 541 OE1 GLU A 301 5.086 -7.796 7.608 1.00 0.00 O ATOM 542 OE2 GLU A 301 7.155 -7.233 7.020 1.00 0.00 O ATOM 0 H GLU A 301 6.747 -6.115 4.041 1.00 0.00 H new ATOM 0 HA GLU A 301 3.853 -5.782 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.763 -4.560 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 301 3.666 -6.310 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 301 6.317 -4.930 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 301 5.128 -5.074 7.867 1.00 0.00 H new ATOM 549 N GLY A 302 4.361 -3.317 3.544 1.00 0.00 N ATOM 550 CA GLY A 302 4.603 -1.955 3.069 1.00 0.00 C ATOM 551 C GLY A 302 3.765 -0.927 3.736 1.00 0.00 C ATOM 552 O GLY A 302 2.848 -1.176 4.498 1.00 0.00 O ATOM 0 H GLY A 302 3.370 -3.556 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 302 5.654 -1.709 3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 302 4.420 -1.918 1.995 1.00 0.00 H new ATOM 556 N LEU A 303 4.050 0.325 3.419 1.00 0.00 N ATOM 557 CA LEU A 303 3.282 1.506 3.826 1.00 0.00 C ATOM 558 C LEU A 303 2.344 1.925 2.717 1.00 0.00 C ATOM 559 O LEU A 303 2.493 1.521 1.578 1.00 0.00 O ATOM 560 CB LEU A 303 4.293 2.657 4.179 1.00 0.00 C ATOM 561 CG LEU A 303 3.758 4.034 4.663 1.00 0.00 C ATOM 562 CD1 LEU A 303 2.977 3.918 5.974 1.00 0.00 C ATOM 563 CD2 LEU A 303 4.888 5.037 4.915 1.00 0.00 C ATOM 0 H LEU A 303 4.858 0.564 2.845 1.00 0.00 H new ATOM 0 HA LEU A 303 2.674 1.279 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 303 4.961 2.277 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 303 4.902 2.838 3.293 1.00 0.00 H new ATOM 0 HG LEU A 303 3.110 4.382 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 303 2.622 4.904 6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 303 2.125 3.253 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 303 3.627 3.514 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 303 4.466 5.984 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 303 5.558 4.646 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 303 5.446 5.196 3.992 1.00 0.00 H new ATOM 575 N VAL A 304 1.355 2.758 3.068 1.00 0.00 N ATOM 576 CA VAL A 304 0.546 3.577 2.159 1.00 0.00 C ATOM 577 C VAL A 304 0.910 4.954 2.604 1.00 0.00 C ATOM 578 O VAL A 304 0.621 5.307 3.750 1.00 0.00 O ATOM 579 CB VAL A 304 -1.006 3.582 2.229 1.00 0.00 C ATOM 580 CG1 VAL A 304 -1.550 4.300 0.964 1.00 0.00 C ATOM 581 CG2 VAL A 304 -1.606 2.181 2.372 1.00 0.00 C ATOM 0 H VAL A 304 1.085 2.884 4.043 1.00 0.00 H new ATOM 0 HA VAL A 304 0.757 3.196 1.160 1.00 0.00 H new ATOM 0 HB VAL A 304 -1.308 4.118 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 304 -2.639 4.314 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 304 -1.174 5.323 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 304 -1.218 3.768 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 304 -2.693 2.253 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 304 -1.317 1.572 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 304 -1.236 1.719 3.287 1.00 0.00 H new ATOM 591 N HIS A 305 1.506 5.827 1.745 1.00 0.00 N ATOM 592 CA HIS A 305 1.683 7.230 2.197 1.00 0.00 C ATOM 593 C HIS A 305 0.309 7.941 2.003 1.00 0.00 C ATOM 594 O HIS A 305 -0.164 8.064 0.880 1.00 0.00 O ATOM 595 CB HIS A 305 2.850 7.888 1.402 1.00 0.00 C ATOM 596 CG HIS A 305 4.244 7.708 2.006 1.00 0.00 C ATOM 597 ND1 HIS A 305 4.797 8.600 2.900 1.00 0.00 N ATOM 598 CD2 HIS A 305 5.229 6.786 1.769 1.00 0.00 C ATOM 599 CE1 HIS A 305 6.072 8.196 3.149 1.00 0.00 C ATOM 600 NE2 HIS A 305 6.386 7.099 2.486 1.00 0.00 N ATOM 0 H HIS A 305 1.847 5.608 0.809 1.00 0.00 H new ATOM 0 HA HIS A 305 1.964 7.305 3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 305 2.855 7.477 0.392 1.00 0.00 H new ATOM 0 HB3 HIS A 305 2.648 8.955 1.311 1.00 0.00 H new ATOM 0 HD1 HIS A 305 4.334 9.415 3.302 1.00 0.00 H new ATOM 0 HD2 HIS A 305 5.125 5.932 1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 305 6.749 8.713 3.813 1.00 0.00 H new ATOM 608 N VAL A 306 -0.374 8.349 3.127 1.00 0.00 N ATOM 609 CA VAL A 306 -1.788 8.794 3.265 1.00 0.00 C ATOM 610 C VAL A 306 -2.555 9.441 2.102 1.00 0.00 C ATOM 611 O VAL A 306 -3.644 9.005 1.738 1.00 0.00 O ATOM 612 CB VAL A 306 -2.053 9.493 4.610 1.00 0.00 C ATOM 613 CG1 VAL A 306 -1.163 10.734 4.806 1.00 0.00 C ATOM 614 CG2 VAL A 306 -3.545 9.812 4.858 1.00 0.00 C ATOM 0 H VAL A 306 0.101 8.373 4.030 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.261 7.813 3.224 1.00 0.00 H new ATOM 0 HB VAL A 306 -1.773 8.767 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -1.386 11.193 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -0.114 10.438 4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -1.357 11.451 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -3.656 10.304 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -3.912 10.471 4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -4.121 8.886 4.854 1.00 0.00 H new ATOM 866 N VAL A 322 -10.683 2.377 1.227 1.00 0.00 N ATOM 867 CA VAL A 322 -9.608 1.559 1.774 1.00 0.00 C ATOM 868 C VAL A 322 -9.791 1.347 3.275 1.00 0.00 C ATOM 869 O VAL A 322 -9.560 2.188 4.138 1.00 0.00 O ATOM 870 CB VAL A 322 -8.212 1.998 1.295 1.00 0.00 C ATOM 871 CG1 VAL A 322 -7.075 1.537 2.256 1.00 0.00 C ATOM 872 CG2 VAL A 322 -8.036 1.401 -0.121 1.00 0.00 C ATOM 0 HA VAL A 322 -9.678 0.556 1.353 1.00 0.00 H new ATOM 0 HB VAL A 322 -8.141 3.086 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -6.113 1.874 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -7.239 1.965 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -7.077 0.449 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -7.059 1.680 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -8.110 0.315 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -8.816 1.787 -0.778 1.00 0.00 H new ATOM 882 N ASN A 323 -10.271 0.122 3.550 1.00 0.00 N ATOM 883 CA ASN A 323 -10.630 -0.455 4.821 1.00 0.00 C ATOM 884 C ASN A 323 -9.618 -1.492 5.147 1.00 0.00 C ATOM 885 O ASN A 323 -8.832 -1.961 4.325 1.00 0.00 O ATOM 886 CB ASN A 323 -12.014 -1.158 4.712 1.00 0.00 C ATOM 887 CG ASN A 323 -13.118 -0.113 4.722 1.00 0.00 C ATOM 888 OD1 ASN A 323 -13.379 0.496 5.762 1.00 0.00 O ATOM 889 ND2 ASN A 323 -13.818 0.070 3.579 1.00 0.00 N ATOM 0 H ASN A 323 -10.427 -0.545 2.794 1.00 0.00 H new ATOM 0 HA ASN A 323 -10.673 0.324 5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -12.064 -1.746 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -12.148 -1.851 5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -14.594 0.732 3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -13.570 -0.454 2.740 1.00 0.00 H new ATOM 896 N VAL A 324 -9.693 -1.929 6.417 1.00 0.00 N ATOM 897 CA VAL A 324 -8.903 -3.027 6.974 1.00 0.00 C ATOM 898 C VAL A 324 -9.433 -4.362 6.432 1.00 0.00 C ATOM 899 O VAL A 324 -10.611 -4.704 6.546 1.00 0.00 O ATOM 900 CB VAL A 324 -8.814 -2.972 8.512 1.00 0.00 C ATOM 901 CG1 VAL A 324 -10.196 -3.013 9.203 1.00 0.00 C ATOM 902 CG2 VAL A 324 -7.872 -4.069 9.063 1.00 0.00 C ATOM 0 H VAL A 324 -10.326 -1.511 7.099 1.00 0.00 H new ATOM 0 HA VAL A 324 -7.869 -2.923 6.644 1.00 0.00 H new ATOM 0 HB VAL A 324 -8.382 -2.002 8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 324 -10.064 -2.971 10.284 1.00 0.00 H new ATOM 0 HG12 VAL A 324 -10.791 -2.160 8.877 1.00 0.00 H new ATOM 0 HG13 VAL A 324 -10.709 -3.937 8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 324 -7.832 -4.002 10.150 1.00 0.00 H new ATOM 0 HG22 VAL A 324 -8.248 -5.050 8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 324 -6.872 -3.929 8.654 1.00 0.00 H new ATOM 912 N GLY A 325 -8.523 -5.108 5.752 1.00 0.00 N ATOM 913 CA GLY A 325 -8.793 -6.374 5.079 1.00 0.00 C ATOM 914 C GLY A 325 -9.179 -6.234 3.636 1.00 0.00 C ATOM 915 O GLY A 325 -9.657 -7.171 3.009 1.00 0.00 O ATOM 0 H GLY A 325 -7.549 -4.819 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -7.907 -7.005 5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -9.593 -6.891 5.609 1.00 0.00 H new ATOM 919 N ASP A 326 -8.933 -5.035 3.053 1.00 0.00 N ATOM 920 CA ASP A 326 -9.173 -4.721 1.638 1.00 0.00 C ATOM 921 C ASP A 326 -7.932 -4.942 0.822 1.00 0.00 C ATOM 922 O ASP A 326 -6.827 -4.624 1.263 1.00 0.00 O ATOM 923 CB ASP A 326 -9.797 -3.303 1.325 1.00 0.00 C ATOM 924 CG ASP A 326 -8.903 -2.114 0.898 1.00 0.00 C ATOM 925 OD1 ASP A 326 -8.046 -1.679 1.701 1.00 0.00 O ATOM 926 OD2 ASP A 326 -9.080 -1.655 -0.263 1.00 0.00 O ATOM 0 H ASP A 326 -8.553 -4.245 3.574 1.00 0.00 H new ATOM 0 HA ASP A 326 -9.953 -5.424 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 326 -10.535 -3.446 0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 326 -10.340 -2.990 2.217 1.00 0.00 H new ATOM 931 N VAL A 327 -8.111 -5.432 -0.428 1.00 0.00 N ATOM 932 CA VAL A 327 -7.029 -5.633 -1.379 1.00 0.00 C ATOM 933 C VAL A 327 -7.017 -4.451 -2.362 1.00 0.00 C ATOM 934 O VAL A 327 -8.050 -3.937 -2.802 1.00 0.00 O ATOM 935 CB VAL A 327 -7.055 -7.049 -1.988 1.00 0.00 C ATOM 936 CG1 VAL A 327 -8.481 -7.538 -2.301 1.00 0.00 C ATOM 937 CG2 VAL A 327 -6.100 -7.219 -3.191 1.00 0.00 C ATOM 0 H VAL A 327 -9.026 -5.697 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 327 -6.056 -5.618 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 327 -6.667 -7.703 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -8.437 -8.540 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -9.068 -7.560 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -8.950 -6.860 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -6.170 -8.239 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -6.379 -6.520 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -5.076 -7.019 -2.874 1.00 0.00 H new ATOM 947 N VAL A 328 -5.783 -3.966 -2.620 1.00 0.00 N ATOM 948 CA VAL A 328 -5.387 -2.772 -3.362 1.00 0.00 C ATOM 949 C VAL A 328 -4.178 -3.141 -4.181 1.00 0.00 C ATOM 950 O VAL A 328 -3.604 -4.235 -4.157 1.00 0.00 O ATOM 951 CB VAL A 328 -5.137 -1.572 -2.416 1.00 0.00 C ATOM 952 CG1 VAL A 328 -6.283 -0.556 -2.586 1.00 0.00 C ATOM 953 CG2 VAL A 328 -5.062 -2.020 -0.944 1.00 0.00 C ATOM 0 H VAL A 328 -4.961 -4.461 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 328 -6.186 -2.441 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 328 -4.181 -1.118 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -6.117 0.294 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -6.313 -0.211 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -7.231 -1.032 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -4.886 -1.152 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -6.002 -2.493 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -4.245 -2.732 -0.821 1.00 0.00 H new ATOM 963 N GLU A 329 -3.754 -2.121 -4.943 1.00 0.00 N ATOM 964 CA GLU A 329 -2.559 -2.124 -5.758 1.00 0.00 C ATOM 965 C GLU A 329 -1.891 -0.922 -5.188 1.00 0.00 C ATOM 966 O GLU A 329 -2.575 0.033 -4.823 1.00 0.00 O ATOM 967 CB GLU A 329 -2.934 -2.049 -7.262 1.00 0.00 C ATOM 968 CG GLU A 329 -1.757 -2.231 -8.235 1.00 0.00 C ATOM 969 CD GLU A 329 -2.208 -2.156 -9.696 1.00 0.00 C ATOM 970 OE1 GLU A 329 -3.421 -1.931 -9.953 1.00 0.00 O ATOM 971 OE2 GLU A 329 -1.326 -2.322 -10.581 1.00 0.00 O ATOM 0 H GLU A 329 -4.266 -1.241 -5.001 1.00 0.00 H new ATOM 0 HA GLU A 329 -1.921 -3.008 -5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -3.682 -2.813 -7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -3.401 -1.084 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -1.008 -1.462 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -1.279 -3.193 -8.051 1.00 0.00 H new ATOM 978 N VAL A 330 -0.571 -0.983 -4.973 1.00 0.00 N ATOM 979 CA VAL A 330 0.079 0.041 -4.178 1.00 0.00 C ATOM 980 C VAL A 330 1.367 0.167 -4.894 1.00 0.00 C ATOM 981 O VAL A 330 1.908 -0.824 -5.360 1.00 0.00 O ATOM 982 CB VAL A 330 0.243 -0.375 -2.699 1.00 0.00 C ATOM 983 CG1 VAL A 330 -1.122 -0.332 -1.953 1.00 0.00 C ATOM 984 CG2 VAL A 330 0.816 -1.809 -2.598 1.00 0.00 C ATOM 0 H VAL A 330 0.045 -1.713 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 330 -0.476 0.976 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 330 0.931 0.332 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 330 -0.978 -0.629 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 330 -1.524 0.680 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 330 -1.821 -1.017 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 330 0.924 -2.084 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 330 0.138 -2.507 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 330 1.790 -1.847 -3.086 1.00 0.00 H new ATOM 994 N MET A 331 1.906 1.381 -5.074 1.00 0.00 N ATOM 995 CA MET A 331 3.115 1.578 -5.871 1.00 0.00 C ATOM 996 C MET A 331 4.271 1.769 -4.950 1.00 0.00 C ATOM 997 O MET A 331 4.141 2.367 -3.896 1.00 0.00 O ATOM 998 CB MET A 331 2.930 2.770 -6.845 1.00 0.00 C ATOM 999 CG MET A 331 4.065 2.972 -7.872 1.00 0.00 C ATOM 1000 SD MET A 331 3.866 4.421 -8.953 1.00 0.00 S ATOM 1001 CE MET A 331 2.246 4.002 -9.655 1.00 0.00 C ATOM 0 H MET A 331 1.521 2.238 -4.677 1.00 0.00 H new ATOM 0 HA MET A 331 3.312 0.701 -6.487 1.00 0.00 H new ATOM 0 HB2 MET A 331 1.994 2.632 -7.386 1.00 0.00 H new ATOM 0 HB3 MET A 331 2.828 3.683 -6.259 1.00 0.00 H new ATOM 0 HG2 MET A 331 5.009 3.063 -7.336 1.00 0.00 H new ATOM 0 HG3 MET A 331 4.137 2.080 -8.494 1.00 0.00 H new ATOM 0 HE1 MET A 331 2.203 4.333 -10.693 1.00 0.00 H new ATOM 0 HE2 MET A 331 2.099 2.923 -9.612 1.00 0.00 H new ATOM 0 HE3 MET A 331 1.462 4.498 -9.083 1.00 0.00 H new ATOM 1011 N VAL A 332 5.457 1.224 -5.270 1.00 0.00 N ATOM 1012 CA VAL A 332 6.563 1.227 -4.283 1.00 0.00 C ATOM 1013 C VAL A 332 7.346 2.510 -4.192 1.00 0.00 C ATOM 1014 O VAL A 332 7.773 3.035 -5.208 1.00 0.00 O ATOM 1015 CB VAL A 332 7.605 0.129 -4.666 1.00 0.00 C ATOM 1016 CG1 VAL A 332 8.909 0.149 -3.828 1.00 0.00 C ATOM 1017 CG2 VAL A 332 6.989 -1.282 -4.661 1.00 0.00 C ATOM 0 H VAL A 332 5.676 0.790 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 332 6.067 1.062 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 332 7.897 0.387 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 332 9.571 -0.648 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 332 9.407 1.111 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 332 8.668 -0.001 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 332 7.751 -2.013 -4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 332 6.608 -1.509 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 332 6.172 -1.325 -5.381 1.00 0.00 H new ATOM 1027 N LEU A 333 7.613 3.031 -2.963 1.00 0.00 N ATOM 1028 CA LEU A 333 8.468 4.152 -2.748 1.00 0.00 C ATOM 1029 C LEU A 333 9.482 3.520 -1.783 1.00 0.00 C ATOM 1030 O LEU A 333 9.940 2.394 -1.905 1.00 0.00 O ATOM 1031 CB LEU A 333 7.763 5.500 -2.310 1.00 0.00 C ATOM 1032 CG LEU A 333 6.348 5.733 -2.928 1.00 0.00 C ATOM 1033 CD1 LEU A 333 5.413 6.551 -2.009 1.00 0.00 C ATOM 1034 CD2 LEU A 333 6.419 6.347 -4.332 1.00 0.00 C ATOM 0 H LEU A 333 7.217 2.652 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 333 8.926 4.564 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 333 7.675 5.511 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 333 8.406 6.336 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 333 5.906 4.741 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 333 4.446 6.679 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 333 5.278 6.023 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 333 5.855 7.529 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 333 5.410 6.489 -4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 333 6.928 7.310 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 333 6.970 5.679 -4.994 1.00 0.00 H new ATOM 1046 N ASP A 334 9.841 4.206 -0.725 1.00 0.00 N ATOM 1047 CA ASP A 334 11.079 3.992 0.060 1.00 0.00 C ATOM 1048 C ASP A 334 11.435 2.681 0.764 1.00 0.00 C ATOM 1049 O ASP A 334 10.819 2.258 1.730 1.00 0.00 O ATOM 1050 CB ASP A 334 11.437 5.233 0.938 1.00 0.00 C ATOM 1051 CG ASP A 334 12.951 5.487 1.005 1.00 0.00 C ATOM 1052 OD1 ASP A 334 13.545 5.785 -0.066 1.00 0.00 O ATOM 1053 OD2 ASP A 334 13.527 5.377 2.119 1.00 0.00 O ATOM 0 H ASP A 334 9.269 4.965 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 334 11.732 3.848 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 334 10.941 6.116 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 334 11.051 5.084 1.947 1.00 0.00 H new ATOM 1058 N ILE A 335 12.499 2.008 0.267 1.00 0.00 N ATOM 1059 CA ILE A 335 12.970 0.705 0.724 1.00 0.00 C ATOM 1060 C ILE A 335 14.183 0.767 1.638 1.00 0.00 C ATOM 1061 O ILE A 335 15.303 1.080 1.237 1.00 0.00 O ATOM 1062 CB ILE A 335 13.110 -0.267 -0.448 1.00 0.00 C ATOM 1063 CG1 ILE A 335 13.766 -1.662 -0.189 1.00 0.00 C ATOM 1064 CG2 ILE A 335 13.797 0.439 -1.646 1.00 0.00 C ATOM 1065 CD1 ILE A 335 13.565 -2.401 1.143 1.00 0.00 C ATOM 0 H ILE A 335 13.067 2.383 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 335 12.197 0.298 1.376 1.00 0.00 H new ATOM 0 HB ILE A 335 12.075 -0.533 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 335 13.419 -2.329 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 335 14.840 -1.539 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 335 13.892 -0.262 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 335 13.196 1.292 -1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 335 14.787 0.783 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 335 14.103 -3.349 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 335 13.947 -1.789 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 335 12.503 -2.591 1.297 1.00 0.00 H new ATOM 1077 N ASP A 336 13.945 0.382 2.917 1.00 0.00 N ATOM 1078 CA ASP A 336 14.944 0.304 3.954 1.00 0.00 C ATOM 1079 C ASP A 336 14.667 -0.987 4.665 1.00 0.00 C ATOM 1080 O ASP A 336 13.696 -1.099 5.405 1.00 0.00 O ATOM 1081 CB ASP A 336 14.849 1.539 4.906 1.00 0.00 C ATOM 1082 CG ASP A 336 16.209 2.229 5.046 1.00 0.00 C ATOM 1083 OD1 ASP A 336 16.793 2.599 3.993 1.00 0.00 O ATOM 1084 OD2 ASP A 336 16.671 2.409 6.203 1.00 0.00 O ATOM 0 H ASP A 336 13.016 0.114 3.241 1.00 0.00 H new ATOM 0 HA ASP A 336 15.960 0.322 3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 336 14.116 2.247 4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 336 14.496 1.220 5.887 1.00 0.00 H new ATOM 1089 N GLU A 337 15.543 -2.009 4.457 1.00 0.00 N ATOM 1090 CA GLU A 337 15.462 -3.366 5.031 1.00 0.00 C ATOM 1091 C GLU A 337 16.188 -3.473 6.371 1.00 0.00 C ATOM 1092 O GLU A 337 16.291 -4.520 7.005 1.00 0.00 O ATOM 1093 CB GLU A 337 15.807 -4.483 4.008 1.00 0.00 C ATOM 1094 CG GLU A 337 17.176 -4.397 3.308 1.00 0.00 C ATOM 1095 CD GLU A 337 18.326 -4.884 4.189 1.00 0.00 C ATOM 1096 OE1 GLU A 337 18.256 -6.046 4.673 1.00 0.00 O ATOM 1097 OE2 GLU A 337 19.296 -4.104 4.375 1.00 0.00 O ATOM 0 H GLU A 337 16.359 -1.895 3.856 1.00 0.00 H new ATOM 0 HA GLU A 337 14.414 -3.548 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 337 15.750 -5.442 4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 337 15.034 -4.488 3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 337 17.149 -4.990 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 337 17.363 -3.365 3.013 1.00 0.00 H new ATOM 1104 N GLU A 338 16.617 -2.276 6.830 1.00 0.00 N ATOM 1105 CA GLU A 338 17.181 -1.829 8.068 1.00 0.00 C ATOM 1106 C GLU A 338 16.044 -1.564 9.063 1.00 0.00 C ATOM 1107 O GLU A 338 16.113 -1.901 10.240 1.00 0.00 O ATOM 1108 CB GLU A 338 17.863 -0.486 7.699 1.00 0.00 C ATOM 1109 CG GLU A 338 18.817 -0.568 6.486 1.00 0.00 C ATOM 1110 CD GLU A 338 20.120 -1.250 6.890 1.00 0.00 C ATOM 1111 OE1 GLU A 338 20.821 -0.701 7.784 1.00 0.00 O ATOM 1112 OE2 GLU A 338 20.440 -2.323 6.315 1.00 0.00 O ATOM 0 H GLU A 338 16.548 -1.477 6.199 1.00 0.00 H new ATOM 0 HA GLU A 338 17.868 -2.547 8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 338 17.091 0.254 7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 338 18.423 -0.127 8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 338 18.342 -1.123 5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 338 19.023 0.433 6.107 1.00 0.00 H new ATOM 1119 N ARG A 339 14.950 -0.931 8.545 1.00 0.00 N ATOM 1120 CA ARG A 339 13.730 -0.572 9.262 1.00 0.00 C ATOM 1121 C ARG A 339 12.607 -1.552 8.968 1.00 0.00 C ATOM 1122 O ARG A 339 11.700 -1.763 9.767 1.00 0.00 O ATOM 1123 CB ARG A 339 13.314 0.873 8.879 1.00 0.00 C ATOM 1124 CG ARG A 339 14.281 1.955 9.404 1.00 0.00 C ATOM 1125 CD ARG A 339 14.197 3.281 8.629 1.00 0.00 C ATOM 1126 NE ARG A 339 12.773 3.773 8.586 1.00 0.00 N ATOM 1127 CZ ARG A 339 12.222 4.640 9.493 1.00 0.00 C ATOM 1128 NH1 ARG A 339 12.948 5.122 10.541 1.00 0.00 N ATOM 1129 NH2 ARG A 339 10.922 5.028 9.336 1.00 0.00 N ATOM 0 H ARG A 339 14.913 -0.652 7.565 1.00 0.00 H new ATOM 0 HA ARG A 339 13.927 -0.618 10.333 1.00 0.00 H new ATOM 0 HB2 ARG A 339 13.253 0.949 7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 339 12.315 1.070 9.269 1.00 0.00 H new ATOM 0 HG2 ARG A 339 14.066 2.144 10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 339 15.302 1.576 9.350 1.00 0.00 H new ATOM 0 HD2 ARG A 339 14.833 4.028 9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 339 14.571 3.142 7.615 1.00 0.00 H new ATOM 0 HE ARG A 339 12.178 3.437 7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 339 13.920 4.838 10.661 1.00 0.00 H new ATOM 0 HH12 ARG A 339 12.519 5.767 11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 339 10.375 4.673 8.552 1.00 0.00 H new ATOM 0 HH22 ARG A 339 10.498 5.673 10.003 1.00 0.00 H new ATOM 1143 N ARG A 340 12.708 -2.156 7.765 1.00 0.00 N ATOM 1144 CA ARG A 340 11.865 -3.144 7.093 1.00 0.00 C ATOM 1145 C ARG A 340 10.591 -2.546 6.543 1.00 0.00 C ATOM 1146 O ARG A 340 9.458 -2.971 6.777 1.00 0.00 O ATOM 1147 CB ARG A 340 11.699 -4.461 7.893 1.00 0.00 C ATOM 1148 CG ARG A 340 13.053 -5.163 8.123 1.00 0.00 C ATOM 1149 CD ARG A 340 12.999 -6.330 9.125 1.00 0.00 C ATOM 1150 NE ARG A 340 12.617 -5.818 10.492 1.00 0.00 N ATOM 1151 CZ ARG A 340 13.486 -5.200 11.356 1.00 0.00 C ATOM 1152 NH1 ARG A 340 14.805 -5.040 11.039 1.00 0.00 N ATOM 1153 NH2 ARG A 340 13.021 -4.733 12.550 1.00 0.00 N ATOM 0 H ARG A 340 13.499 -1.921 7.166 1.00 0.00 H new ATOM 0 HA ARG A 340 12.408 -3.466 6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 340 11.232 -4.246 8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 340 11.028 -5.131 7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 340 13.422 -5.536 7.168 1.00 0.00 H new ATOM 0 HG3 ARG A 340 13.775 -4.427 8.478 1.00 0.00 H new ATOM 0 HD2 ARG A 340 12.276 -7.074 8.791 1.00 0.00 H new ATOM 0 HD3 ARG A 340 13.969 -6.826 9.171 1.00 0.00 H new ATOM 0 HE ARG A 340 11.650 -5.939 10.794 1.00 0.00 H new ATOM 0 HH11 ARG A 340 15.160 -5.383 10.146 1.00 0.00 H new ATOM 0 HH12 ARG A 340 15.435 -4.578 11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 340 12.037 -4.845 12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 340 13.658 -4.272 13.200 1.00 0.00 H new ATOM 1167 N ARG A 341 10.855 -1.480 5.753 1.00 0.00 N ATOM 1168 CA ARG A 341 9.880 -0.641 5.111 1.00 0.00 C ATOM 1169 C ARG A 341 10.144 -0.602 3.628 1.00 0.00 C ATOM 1170 O ARG A 341 11.269 -0.433 3.180 1.00 0.00 O ATOM 1171 CB ARG A 341 9.800 0.785 5.717 1.00 0.00 C ATOM 1172 CG ARG A 341 11.085 1.635 5.659 1.00 0.00 C ATOM 1173 CD ARG A 341 10.776 3.076 5.232 1.00 0.00 C ATOM 1174 NE ARG A 341 12.044 3.878 5.309 1.00 0.00 N ATOM 1175 CZ ARG A 341 12.073 5.241 5.190 1.00 0.00 C ATOM 1176 NH1 ARG A 341 10.937 5.947 4.920 1.00 0.00 N ATOM 1177 NH2 ARG A 341 13.259 5.901 5.346 1.00 0.00 N ATOM 0 H ARG A 341 11.811 -1.187 5.551 1.00 0.00 H new ATOM 0 HA ARG A 341 8.900 -1.083 5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 341 9.008 1.330 5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 341 9.498 0.695 6.761 1.00 0.00 H new ATOM 0 HG2 ARG A 341 11.567 1.638 6.637 1.00 0.00 H new ATOM 0 HG3 ARG A 341 11.789 1.188 4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 341 10.378 3.093 4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 341 10.014 3.508 5.881 1.00 0.00 H new ATOM 0 HE ARG A 341 12.924 3.384 5.457 1.00 0.00 H new ATOM 0 HH11 ARG A 341 10.049 5.459 4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 341 10.976 6.963 4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 341 14.111 5.378 5.549 1.00 0.00 H new ATOM 0 HH22 ARG A 341 13.293 6.917 5.259 1.00 0.00 H new ATOM 1191 N ILE A 342 9.075 -0.762 2.823 1.00 0.00 N ATOM 1192 CA ILE A 342 8.981 -0.628 1.366 1.00 0.00 C ATOM 1193 C ILE A 342 7.987 0.480 1.416 1.00 0.00 C ATOM 1194 O ILE A 342 6.969 0.271 2.088 1.00 0.00 O ATOM 1195 CB ILE A 342 8.377 -1.910 0.719 1.00 0.00 C ATOM 1196 CG1 ILE A 342 8.559 -3.222 1.555 1.00 0.00 C ATOM 1197 CG2 ILE A 342 8.890 -1.981 -0.727 1.00 0.00 C ATOM 1198 CD1 ILE A 342 9.974 -3.799 1.618 1.00 0.00 C ATOM 0 H ILE A 342 8.170 -1.013 3.222 1.00 0.00 H new ATOM 0 HA ILE A 342 9.899 -0.470 0.799 1.00 0.00 H new ATOM 0 HB ILE A 342 7.290 -1.831 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 342 8.224 -3.027 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 342 7.898 -3.984 1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 342 8.486 -2.869 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 342 8.570 -1.092 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 342 9.979 -2.032 -0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 342 9.971 -4.705 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 342 10.315 -4.038 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 342 10.646 -3.066 2.064 1.00 0.00 H new ATOM 1210 N SER A 343 8.209 1.713 0.842 1.00 0.00 N ATOM 1211 CA SER A 343 7.276 2.733 1.399 1.00 0.00 C ATOM 1212 C SER A 343 6.271 2.916 0.351 1.00 0.00 C ATOM 1213 O SER A 343 6.511 3.648 -0.569 1.00 0.00 O ATOM 1214 CB SER A 343 7.990 4.061 1.787 1.00 0.00 C ATOM 1215 OG SER A 343 7.496 4.609 2.997 1.00 0.00 O ATOM 0 H SER A 343 8.889 1.986 0.132 1.00 0.00 H new ATOM 0 HA SER A 343 6.831 2.405 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 343 9.060 3.879 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 343 7.862 4.787 0.984 1.00 0.00 H new ATOM 0 HG SER A 343 7.416 5.582 2.907 1.00 0.00 H new ATOM 1221 N LEU A 344 5.114 2.247 0.360 1.00 0.00 N ATOM 1222 CA LEU A 344 4.330 2.199 -0.843 1.00 0.00 C ATOM 1223 C LEU A 344 3.278 3.263 -0.798 1.00 0.00 C ATOM 1224 O LEU A 344 3.005 3.938 0.195 1.00 0.00 O ATOM 1225 CB LEU A 344 3.657 0.795 -1.057 1.00 0.00 C ATOM 1226 CG LEU A 344 4.451 -0.431 -0.550 1.00 0.00 C ATOM 1227 CD1 LEU A 344 3.511 -1.605 -0.248 1.00 0.00 C ATOM 1228 CD2 LEU A 344 5.534 -0.876 -1.533 1.00 0.00 C ATOM 0 H LEU A 344 4.724 1.753 1.163 1.00 0.00 H new ATOM 0 HA LEU A 344 5.003 2.370 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 344 2.686 0.802 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 344 3.470 0.664 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 344 4.947 -0.118 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 344 4.093 -2.455 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 344 2.795 -1.310 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 344 2.976 -1.885 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.061 -1.740 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.074 -1.145 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 344 6.241 -0.061 -1.689 1.00 0.00 H new ATOM 1240 N GLY A 345 2.621 3.426 -1.925 1.00 0.00 N ATOM 1241 CA GLY A 345 1.430 4.296 -1.878 1.00 0.00 C ATOM 1242 C GLY A 345 0.428 3.975 -2.956 1.00 0.00 C ATOM 1243 O GLY A 345 0.780 3.639 -4.073 1.00 0.00 O ATOM 0 H GLY A 345 2.852 3.011 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 345 0.952 4.197 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 345 1.742 5.336 -1.976 1.00 0.00 H new ATOM 1247 N LEU A 346 -0.866 3.957 -2.573 1.00 0.00 N ATOM 1248 CA LEU A 346 -2.036 3.389 -3.242 1.00 0.00 C ATOM 1249 C LEU A 346 -2.454 3.686 -4.686 1.00 0.00 C ATOM 1250 O LEU A 346 -2.196 4.772 -5.195 1.00 0.00 O ATOM 1251 CB LEU A 346 -3.262 3.713 -2.362 1.00 0.00 C ATOM 1252 CG LEU A 346 -4.297 2.583 -2.292 1.00 0.00 C ATOM 1253 CD1 LEU A 346 -4.326 2.086 -0.837 1.00 0.00 C ATOM 1254 CD2 LEU A 346 -5.637 3.069 -2.868 1.00 0.00 C ATOM 0 H LEU A 346 -1.136 4.390 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 346 -1.689 2.361 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 346 -2.921 3.942 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 346 -3.745 4.611 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 346 -4.043 1.723 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 346 -5.052 1.279 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 346 -3.338 1.720 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 346 -4.608 2.907 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 346 -6.369 2.263 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 346 -5.994 3.921 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 346 -5.499 3.368 -3.907 1.00 0.00 H new ATOM 1266 N LYS A 347 -3.176 2.724 -5.374 1.00 0.00 N ATOM 1267 CA LYS A 347 -3.735 2.975 -6.700 1.00 0.00 C ATOM 1268 C LYS A 347 -5.264 3.110 -6.661 1.00 0.00 C ATOM 1269 O LYS A 347 -5.773 4.170 -6.302 1.00 0.00 O ATOM 1270 CB LYS A 347 -3.200 1.988 -7.771 1.00 0.00 C ATOM 1271 CG LYS A 347 -1.656 2.013 -7.830 1.00 0.00 C ATOM 1272 CD LYS A 347 -1.033 1.412 -9.103 1.00 0.00 C ATOM 1273 CE LYS A 347 -1.395 2.118 -10.422 1.00 0.00 C ATOM 1274 NZ LYS A 347 -1.048 3.557 -10.393 1.00 0.00 N ATOM 0 H LYS A 347 -3.365 1.790 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 347 -3.372 3.949 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 347 -3.542 0.979 -7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 347 -3.608 2.250 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 347 -1.323 3.047 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 347 -1.268 1.473 -6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 347 0.051 1.421 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 347 -1.337 0.368 -9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 347 -0.872 1.635 -11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 347 -2.462 2.006 -10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 -1.920 4.124 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 -0.505 3.766 -9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 -0.476 3.793 -11.229 1.00 0.00 H new ATOM 1288 N GLN A 348 -6.052 2.072 -7.062 1.00 0.00 N ATOM 1289 CA GLN A 348 -7.511 2.238 -7.176 1.00 0.00 C ATOM 1290 C GLN A 348 -8.336 1.047 -6.675 1.00 0.00 C ATOM 1291 O GLN A 348 -9.475 0.882 -7.116 1.00 0.00 O ATOM 1292 CB GLN A 348 -7.921 2.588 -8.660 1.00 0.00 C ATOM 1293 CG GLN A 348 -7.302 3.902 -9.221 1.00 0.00 C ATOM 1294 CD GLN A 348 -7.661 4.184 -10.686 1.00 0.00 C ATOM 1295 OE1 GLN A 348 -7.094 3.609 -11.617 1.00 0.00 O ATOM 1296 NE2 GLN A 348 -8.610 5.129 -10.922 1.00 0.00 N ATOM 0 H GLN A 348 -5.705 1.143 -7.303 1.00 0.00 H new ATOM 0 HA GLN A 348 -7.750 3.068 -6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 348 -7.628 1.761 -9.307 1.00 0.00 H new ATOM 0 HB3 GLN A 348 -9.007 2.664 -8.713 1.00 0.00 H new ATOM 0 HG2 GLN A 348 -7.635 4.739 -8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 348 -6.217 3.850 -9.127 1.00 0.00 H new ATOM 0 HE21 GLN A 348 -9.070 5.596 -10.141 1.00 0.00 H new ATOM 0 HE22 GLN A 348 -8.862 5.371 -11.880 1.00 0.00 H new ATOM 1305 N CYS A 349 -7.805 0.185 -5.747 1.00 0.00 N ATOM 1306 CA CYS A 349 -8.458 -0.995 -5.190 1.00 0.00 C ATOM 1307 C CYS A 349 -8.619 -2.160 -6.148 1.00 0.00 C ATOM 1308 O CYS A 349 -8.336 -2.083 -7.343 1.00 0.00 O ATOM 1309 CB CYS A 349 -9.672 -0.753 -4.214 1.00 0.00 C ATOM 1310 SG CYS A 349 -11.363 -0.614 -4.922 1.00 0.00 S ATOM 0 H CYS A 349 -6.869 0.322 -5.367 1.00 0.00 H new ATOM 0 HA CYS A 349 -7.697 -1.340 -4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 349 -9.683 -1.569 -3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 349 -9.471 0.162 -3.658 1.00 0.00 H new ATOM 0 HG CYS A 349 -11.632 -1.680 -5.615 1.00 0.00 H new ATOM 1316 N LYS A 350 -9.099 -3.313 -5.630 1.00 0.00 N ATOM 1317 CA LYS A 350 -9.420 -4.496 -6.425 1.00 0.00 C ATOM 1318 C LYS A 350 -10.790 -4.372 -7.099 1.00 0.00 C ATOM 1319 O LYS A 350 -11.675 -3.633 -6.669 1.00 0.00 O ATOM 1320 CB LYS A 350 -9.423 -5.783 -5.541 1.00 0.00 C ATOM 1321 CG LYS A 350 -9.036 -7.153 -6.162 1.00 0.00 C ATOM 1322 CD LYS A 350 -8.282 -7.210 -7.508 1.00 0.00 C ATOM 1323 CE LYS A 350 -6.878 -6.590 -7.570 1.00 0.00 C ATOM 1324 NZ LYS A 350 -5.914 -7.305 -6.704 1.00 0.00 N ATOM 0 H LYS A 350 -9.273 -3.439 -4.633 1.00 0.00 H new ATOM 0 HA LYS A 350 -8.648 -4.572 -7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 350 -8.747 -5.604 -4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 350 -10.425 -5.888 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 350 -8.427 -7.680 -5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 350 -9.956 -7.725 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 350 -8.199 -8.257 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 350 -8.899 -6.717 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 350 -6.521 -6.606 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 350 -6.930 -5.544 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 -5.458 -6.628 -6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 -6.416 -8.027 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 -5.191 -7.763 -7.294 1.00 0.00 H new ATOM 1338 N ALA A 351 -11.035 -5.160 -8.165 1.00 0.00 N ATOM 1339 CA ALA A 351 -12.280 -5.272 -8.915 1.00 0.00 C ATOM 1340 C ALA A 351 -13.229 -6.285 -8.249 1.00 0.00 C ATOM 1341 O ALA A 351 -13.671 -7.270 -8.837 1.00 0.00 O ATOM 1342 CB ALA A 351 -11.884 -5.677 -10.350 1.00 0.00 C ATOM 0 H ALA A 351 -10.312 -5.773 -8.542 1.00 0.00 H new ATOM 0 HA ALA A 351 -12.831 -4.332 -8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 351 -12.781 -5.776 -10.961 1.00 0.00 H new ATOM 0 HB2 ALA A 351 -11.236 -4.912 -10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 351 -11.354 -6.629 -10.326 1.00 0.00 H new ATOM 1348 N ASN A 352 -13.451 -5.985 -6.947 1.00 0.00 N ATOM 1349 CA ASN A 352 -14.110 -6.630 -5.814 1.00 0.00 C ATOM 1350 C ASN A 352 -13.023 -6.726 -4.722 1.00 0.00 C ATOM 1351 O ASN A 352 -12.200 -7.635 -4.808 1.00 0.00 O ATOM 1352 CB ASN A 352 -14.920 -7.964 -6.033 1.00 0.00 C ATOM 1353 CG ASN A 352 -14.163 -9.300 -6.180 1.00 0.00 C ATOM 1354 OD1 ASN A 352 -14.079 -10.083 -5.233 1.00 0.00 O ATOM 1355 ND2 ASN A 352 -13.645 -9.582 -7.391 1.00 0.00 N ATOM 0 H ASN A 352 -13.086 -5.091 -6.619 1.00 0.00 H new ATOM 0 HA ASN A 352 -14.962 -6.009 -5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 352 -15.608 -8.069 -5.194 1.00 0.00 H new ATOM 0 HB3 ASN A 352 -15.528 -7.833 -6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 352 -13.164 -10.468 -7.546 1.00 0.00 H new ATOM 0 HD22 ASN A 352 -13.733 -8.909 -8.153 1.00 0.00 H new ATOM 1362 N PRO A 353 -12.849 -5.805 -3.737 1.00 0.00 N ATOM 1363 CA PRO A 353 -11.787 -5.893 -2.726 1.00 0.00 C ATOM 1364 C PRO A 353 -12.227 -6.814 -1.552 1.00 0.00 C ATOM 1365 O PRO A 353 -12.174 -8.039 -1.655 1.00 0.00 O ATOM 1366 CB PRO A 353 -11.591 -4.418 -2.322 1.00 0.00 C ATOM 1367 CG PRO A 353 -12.973 -3.767 -2.487 1.00 0.00 C ATOM 1368 CD PRO A 353 -13.557 -4.521 -3.690 1.00 0.00 C ATOM 0 HA PRO A 353 -10.857 -6.342 -3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 353 -11.237 -4.335 -1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 353 -10.849 -3.932 -2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -13.588 -3.889 -1.595 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -12.897 -2.697 -2.678 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -14.631 -4.670 -3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -13.410 -3.959 -4.613 1.00 0.00 H new