USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 551 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 Single : A 326 LYS NZ :NH3+ 162:sc= -0.0699 (180deg=-0.422) USER MOD Single : A 329 LYS NZ :NH3+ -156:sc= -0.206 (180deg=-1.13) USER MOD Single : A 330 THR OG1 : rot -110:sc= -2.16 USER MOD Single : A 332 SER OG : rot 180:sc= 0.00578 USER MOD Single : A 337 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 341 MET CE :methyl -138:sc= -2.28 (180deg=-5.61!) USER MOD Single : A 343 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 LYS NZ :NH3+ -109:sc= 0 (180deg=-1.6!) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 THR OG1 : rot 180:sc= 0 USER MOD Single : A 358 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.8) USER MOD Single : A 359 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 ASN : amide:sc= -0.948 K(o=-0.95,f=-4.6!) USER MOD Single : A 363 THR OG1 : rot 180:sc= 0 USER MOD Single : A 369 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 377 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 SER OG : rot 76:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 165 N GLU A 322 209.313 261.188 159.882 1.00 59.88 N ATOM 166 CA GLU A 322 209.038 262.090 161.002 1.00 59.88 C ATOM 167 C GLU A 322 210.015 261.885 162.151 1.00 59.88 C ATOM 168 O GLU A 322 210.781 262.786 162.501 1.00 59.88 O ATOM 169 CB GLU A 322 207.625 261.852 161.532 1.00 59.88 C ATOM 170 CG GLU A 322 206.548 261.902 160.469 1.00 59.88 C ATOM 171 CD GLU A 322 205.159 261.783 161.054 1.00 59.88 C ATOM 172 OE1 GLU A 322 205.046 261.442 162.251 1.00 59.88 O ATOM 173 OE2 GLU A 322 204.182 262.029 160.316 1.00 59.88 O ATOM 0 HA GLU A 322 209.145 263.107 160.624 1.00 59.88 H new ATOM 0 HB2 GLU A 322 207.592 260.879 162.022 1.00 59.88 H new ATOM 0 HB3 GLU A 322 207.404 262.600 162.293 1.00 59.88 H new ATOM 0 HG2 GLU A 322 206.628 262.839 159.917 1.00 59.88 H new ATOM 0 HG3 GLU A 322 206.709 261.096 159.754 1.00 59.88 H new ATOM 180 N GLU A 323 209.950 260.709 162.753 1.00 59.53 N ATOM 181 CA GLU A 323 210.793 260.377 163.886 1.00 59.53 C ATOM 182 C GLU A 323 212.273 260.494 163.549 1.00 59.53 C ATOM 183 O GLU A 323 213.073 260.911 164.388 1.00 59.53 O ATOM 184 CB GLU A 323 210.452 258.973 164.370 1.00 59.53 C ATOM 185 CG GLU A 323 209.055 258.889 164.961 1.00 59.53 C ATOM 186 CD GLU A 323 208.692 257.498 165.433 1.00 59.53 C ATOM 187 OE1 GLU A 323 209.441 256.550 165.120 1.00 59.53 O ATOM 188 OE2 GLU A 323 207.656 257.360 166.114 1.00 59.53 O ATOM 0 H GLU A 323 209.315 259.962 162.471 1.00 59.53 H new ATOM 0 HA GLU A 323 210.598 261.094 164.683 1.00 59.53 H new ATOM 0 HB2 GLU A 323 210.534 258.274 163.537 1.00 59.53 H new ATOM 0 HB3 GLU A 323 211.180 258.663 165.119 1.00 59.53 H new ATOM 0 HG2 GLU A 323 208.979 259.582 165.799 1.00 59.53 H new ATOM 0 HG3 GLU A 323 208.331 259.213 164.214 1.00 59.53 H new ATOM 195 N LEU A 324 212.636 260.136 162.324 1.00122.40 N ATOM 196 CA LEU A 324 214.025 260.219 161.900 1.00122.40 C ATOM 197 C LEU A 324 214.497 261.674 161.894 1.00122.40 C ATOM 198 O LEU A 324 215.619 261.974 162.302 1.00122.40 O ATOM 199 CB LEU A 324 214.199 259.575 160.517 1.00122.40 C ATOM 200 CG LEU A 324 213.801 258.102 160.413 1.00122.40 C ATOM 201 CD1 LEU A 324 214.117 257.564 159.026 1.00122.40 C ATOM 202 CD2 LEU A 324 214.531 257.287 161.473 1.00122.40 C ATOM 0 H LEU A 324 211.993 259.788 161.613 1.00122.40 H new ATOM 0 HA LEU A 324 214.642 259.669 162.610 1.00122.40 H new ATOM 0 HB2 LEU A 324 213.610 260.143 159.796 1.00122.40 H new ATOM 0 HB3 LEU A 324 215.244 259.671 160.221 1.00122.40 H new ATOM 0 HG LEU A 324 212.727 258.018 160.581 1.00122.40 H new ATOM 0 HD11 LEU A 324 213.828 256.515 158.968 1.00122.40 H new ATOM 0 HD12 LEU A 324 213.564 258.134 158.280 1.00122.40 H new ATOM 0 HD13 LEU A 324 215.186 257.657 158.835 1.00122.40 H new ATOM 0 HD21 LEU A 324 214.241 256.240 161.391 1.00122.40 H new ATOM 0 HD22 LEU A 324 215.607 257.378 161.325 1.00122.40 H new ATOM 0 HD23 LEU A 324 214.268 257.659 162.463 1.00122.40 H new ATOM 214 N GLU A 325 213.630 262.569 161.430 1.00 69.04 N ATOM 215 CA GLU A 325 213.949 263.998 161.366 1.00 69.04 C ATOM 216 C GLU A 325 213.926 264.662 162.745 1.00 69.04 C ATOM 217 O GLU A 325 214.776 265.500 163.050 1.00 69.04 O ATOM 218 CB GLU A 325 212.967 264.713 160.437 1.00 69.04 C ATOM 219 CG GLU A 325 213.077 264.273 158.987 1.00 69.04 C ATOM 220 CD GLU A 325 212.140 265.037 158.074 1.00 69.04 C ATOM 221 OE1 GLU A 325 211.282 265.782 158.593 1.00 69.04 O ATOM 222 OE2 GLU A 325 212.264 264.893 156.840 1.00 69.04 O ATOM 0 H GLU A 325 212.698 262.332 161.091 1.00 69.04 H new ATOM 0 HA GLU A 325 214.963 264.083 160.975 1.00 69.04 H new ATOM 0 HB2 GLU A 325 211.951 264.533 160.787 1.00 69.04 H new ATOM 0 HB3 GLU A 325 213.139 265.788 160.497 1.00 69.04 H new ATOM 0 HG2 GLU A 325 214.103 264.411 158.646 1.00 69.04 H new ATOM 0 HG3 GLU A 325 212.858 263.207 158.917 1.00 69.04 H new ATOM 229 N LYS A 326 212.948 264.304 163.569 1.00115.86 N ATOM 230 CA LYS A 326 212.828 264.894 164.904 1.00115.86 C ATOM 231 C LYS A 326 214.019 264.538 165.789 1.00115.86 C ATOM 232 O LYS A 326 214.430 265.332 166.636 1.00115.86 O ATOM 233 CB LYS A 326 211.525 264.449 165.580 1.00115.86 C ATOM 234 CG LYS A 326 210.279 264.875 164.825 1.00115.86 C ATOM 235 CD LYS A 326 210.142 266.389 164.790 1.00115.86 C ATOM 236 CE LYS A 326 208.829 266.815 164.154 1.00115.86 C ATOM 237 NZ LYS A 326 207.654 266.314 164.918 1.00115.86 N ATOM 0 H LYS A 326 212.231 263.615 163.343 1.00115.86 H new ATOM 0 HA LYS A 326 212.813 265.976 164.777 1.00115.86 H new ATOM 0 HB2 LYS A 326 211.528 263.363 165.679 1.00115.86 H new ATOM 0 HB3 LYS A 326 211.488 264.861 166.589 1.00115.86 H new ATOM 0 HG2 LYS A 326 210.319 264.488 163.807 1.00115.86 H new ATOM 0 HG3 LYS A 326 209.399 264.439 165.297 1.00115.86 H new ATOM 0 HD2 LYS A 326 210.201 266.784 165.804 1.00115.86 H new ATOM 0 HD3 LYS A 326 210.974 266.818 164.232 1.00115.86 H new ATOM 0 HE2 LYS A 326 208.789 267.903 164.098 1.00115.86 H new ATOM 0 HE3 LYS A 326 208.783 266.441 163.131 1.00115.86 H new ATOM 0 HZ1 LYS A 326 206.809 266.858 164.651 1.00115.86 H new ATOM 0 HZ2 LYS A 326 207.502 265.308 164.701 1.00115.86 H new ATOM 0 HZ3 LYS A 326 207.829 266.426 165.937 1.00115.86 H new ATOM 251 N VAL A 327 214.558 263.340 165.607 1.00 98.68 N ATOM 252 CA VAL A 327 215.690 262.887 166.407 1.00 98.68 C ATOM 253 C VAL A 327 217.024 263.451 165.912 1.00 98.68 C ATOM 254 O VAL A 327 217.837 263.917 166.710 1.00 98.68 O ATOM 255 CB VAL A 327 215.772 261.346 166.441 1.00 98.68 C ATOM 256 CG1 VAL A 327 216.026 260.783 165.051 1.00 98.68 C ATOM 257 CG2 VAL A 327 216.851 260.891 167.413 1.00 98.68 C ATOM 0 H VAL A 327 214.232 262.666 164.915 1.00 98.68 H new ATOM 0 HA VAL A 327 215.514 263.265 167.414 1.00 98.68 H new ATOM 0 HB VAL A 327 214.812 260.962 166.788 1.00 98.68 H new ATOM 0 HG11 VAL A 327 216.079 259.696 165.103 1.00 98.68 H new ATOM 0 HG12 VAL A 327 215.213 261.075 164.386 1.00 98.68 H new ATOM 0 HG13 VAL A 327 216.968 261.174 164.666 1.00 98.68 H new ATOM 0 HG21 VAL A 327 216.895 259.802 167.424 1.00 98.68 H new ATOM 0 HG22 VAL A 327 217.816 261.290 167.099 1.00 98.68 H new ATOM 0 HG23 VAL A 327 216.617 261.255 168.413 1.00 98.68 H new ATOM 267 N LEU A 328 217.261 263.386 164.606 1.00136.13 N ATOM 268 CA LEU A 328 218.520 263.874 164.032 1.00136.13 C ATOM 269 C LEU A 328 218.827 265.336 164.389 1.00136.13 C ATOM 270 O LEU A 328 219.994 265.711 164.505 1.00136.13 O ATOM 271 CB LEU A 328 218.501 263.717 162.509 1.00136.13 C ATOM 272 CG LEU A 328 219.744 264.250 161.791 1.00136.13 C ATOM 273 CD1 LEU A 328 220.936 263.339 162.038 1.00136.13 C ATOM 274 CD2 LEU A 328 219.479 264.389 160.298 1.00136.13 C ATOM 0 H LEU A 328 216.605 263.004 163.925 1.00136.13 H new ATOM 0 HA LEU A 328 219.311 263.265 164.470 1.00136.13 H new ATOM 0 HB2 LEU A 328 218.385 262.660 162.269 1.00136.13 H new ATOM 0 HB3 LEU A 328 217.624 264.231 162.116 1.00136.13 H new ATOM 0 HG LEU A 328 219.976 265.236 162.193 1.00136.13 H new ATOM 0 HD11 LEU A 328 221.810 263.734 161.520 1.00136.13 H new ATOM 0 HD12 LEU A 328 221.140 263.289 163.108 1.00136.13 H new ATOM 0 HD13 LEU A 328 220.714 262.340 161.664 1.00136.13 H new ATOM 0 HD21 LEU A 328 220.373 264.769 159.804 1.00136.13 H new ATOM 0 HD22 LEU A 328 219.221 263.415 159.882 1.00136.13 H new ATOM 0 HD23 LEU A 328 218.653 265.083 160.138 1.00136.13 H new ATOM 286 N LYS A 329 217.800 266.170 164.530 1.00109.48 N ATOM 287 CA LYS A 329 218.013 267.588 164.838 1.00109.48 C ATOM 288 C LYS A 329 218.790 267.795 166.141 1.00109.48 C ATOM 289 O LYS A 329 219.504 268.789 166.287 1.00109.48 O ATOM 290 CB LYS A 329 216.681 268.337 164.906 1.00109.48 C ATOM 291 CG LYS A 329 216.006 268.488 163.554 1.00109.48 C ATOM 292 CD LYS A 329 214.791 269.400 163.635 1.00109.48 C ATOM 293 CE LYS A 329 213.663 268.758 164.426 1.00109.48 C ATOM 294 NZ LYS A 329 212.343 268.944 163.763 1.00109.48 N ATOM 0 H LYS A 329 216.822 265.896 164.438 1.00109.48 H new ATOM 0 HA LYS A 329 218.616 267.993 164.025 1.00109.48 H new ATOM 0 HB2 LYS A 329 216.009 267.809 165.582 1.00109.48 H new ATOM 0 HB3 LYS A 329 216.850 269.326 165.332 1.00109.48 H new ATOM 0 HG2 LYS A 329 216.718 268.892 162.834 1.00109.48 H new ATOM 0 HG3 LYS A 329 215.702 267.508 163.186 1.00109.48 H new ATOM 0 HD2 LYS A 329 215.074 270.343 164.103 1.00109.48 H new ATOM 0 HD3 LYS A 329 214.443 269.635 162.629 1.00109.48 H new ATOM 0 HE2 LYS A 329 213.863 267.693 164.544 1.00109.48 H new ATOM 0 HE3 LYS A 329 213.630 269.189 165.427 1.00109.48 H new ATOM 0 HZ1 LYS A 329 211.585 268.875 164.472 1.00109.48 H new ATOM 0 HZ2 LYS A 329 212.310 269.880 163.311 1.00109.48 H new ATOM 0 HZ3 LYS A 329 212.210 268.207 163.042 1.00109.48 H new ATOM 308 N THR A 330 218.653 266.874 167.089 1.00 39.26 N ATOM 309 CA THR A 330 219.348 267.009 168.368 1.00 39.26 C ATOM 310 C THR A 330 220.728 266.357 168.334 1.00 39.26 C ATOM 311 O THR A 330 221.677 266.869 168.929 1.00 39.26 O ATOM 312 CB THR A 330 218.533 266.406 169.531 1.00 39.26 C ATOM 313 OG1 THR A 330 219.340 266.343 170.713 1.00 39.26 O ATOM 314 CG2 THR A 330 218.028 265.015 169.181 1.00 39.26 C ATOM 0 H THR A 330 218.077 266.037 167.001 1.00 39.26 H new ATOM 0 HA THR A 330 219.465 268.079 168.537 1.00 39.26 H new ATOM 0 HB THR A 330 217.672 267.050 169.711 1.00 39.26 H new ATOM 0 HG1 THR A 330 219.548 265.407 170.918 1.00 39.26 H new ATOM 0 HG21 THR A 330 217.457 264.614 170.018 1.00 39.26 H new ATOM 0 HG22 THR A 330 217.389 265.071 168.300 1.00 39.26 H new ATOM 0 HG23 THR A 330 218.876 264.362 168.974 1.00 39.26 H new ATOM 322 N LEU A 331 220.839 265.231 167.637 1.00105.78 N ATOM 323 CA LEU A 331 222.112 264.523 167.533 1.00105.78 C ATOM 324 C LEU A 331 223.062 265.232 166.573 1.00105.78 C ATOM 325 O LEU A 331 222.653 265.698 165.510 1.00105.78 O ATOM 326 CB LEU A 331 221.886 263.085 167.061 1.00105.78 C ATOM 327 CG LEU A 331 221.424 262.112 168.145 1.00105.78 C ATOM 328 CD1 LEU A 331 222.192 262.352 169.437 1.00105.78 C ATOM 329 CD2 LEU A 331 219.928 262.252 168.378 1.00105.78 C ATOM 0 H LEU A 331 220.067 264.790 167.137 1.00105.78 H new ATOM 0 HA LEU A 331 222.566 264.512 168.524 1.00105.78 H new ATOM 0 HB2 LEU A 331 221.144 263.094 166.262 1.00105.78 H new ATOM 0 HB3 LEU A 331 222.814 262.710 166.630 1.00105.78 H new ATOM 0 HG LEU A 331 221.627 261.095 167.809 1.00105.78 H new ATOM 0 HD11 LEU A 331 221.851 261.651 170.199 1.00105.78 H new ATOM 0 HD12 LEU A 331 223.257 262.205 169.260 1.00105.78 H new ATOM 0 HD13 LEU A 331 222.018 263.372 169.779 1.00105.78 H new ATOM 0 HD21 LEU A 331 219.613 261.553 169.153 1.00105.78 H new ATOM 0 HD22 LEU A 331 219.703 263.270 168.695 1.00105.78 H new ATOM 0 HD23 LEU A 331 219.394 262.034 167.453 1.00105.78 H new ATOM 341 N SER A 332 224.340 265.291 166.945 1.00 84.63 N ATOM 342 CA SER A 332 225.356 265.918 166.106 1.00 84.63 C ATOM 343 C SER A 332 225.667 265.022 164.911 1.00 84.63 C ATOM 344 O SER A 332 225.224 263.876 164.860 1.00 84.63 O ATOM 345 CB SER A 332 226.626 266.175 166.922 1.00 84.63 C ATOM 346 OG SER A 332 226.314 266.497 168.270 1.00 84.63 O ATOM 0 H SER A 332 224.695 264.911 167.823 1.00 84.63 H new ATOM 0 HA SER A 332 224.977 266.873 165.741 1.00 84.63 H new ATOM 0 HB2 SER A 332 227.264 265.292 166.895 1.00 84.63 H new ATOM 0 HB3 SER A 332 227.192 266.991 166.472 1.00 84.63 H new ATOM 0 HG SER A 332 227.143 266.655 168.769 1.00 84.63 H new ATOM 352 N PRO A 333 226.424 265.527 163.928 1.00107.03 N ATOM 353 CA PRO A 333 226.778 264.756 162.736 1.00107.03 C ATOM 354 C PRO A 333 227.443 263.426 163.075 1.00107.03 C ATOM 355 O PRO A 333 227.152 262.402 162.453 1.00107.03 O ATOM 356 CB PRO A 333 227.753 265.667 161.976 1.00107.03 C ATOM 357 CG PRO A 333 227.494 267.051 162.479 1.00107.03 C ATOM 358 CD PRO A 333 227.003 266.895 163.891 1.00107.03 C ATOM 0 HA PRO A 333 225.893 264.491 162.157 1.00107.03 H new ATOM 0 HB2 PRO A 333 228.786 265.372 162.158 1.00107.03 H new ATOM 0 HB3 PRO A 333 227.588 265.605 160.900 1.00107.03 H new ATOM 0 HG2 PRO A 333 228.401 267.654 162.446 1.00107.03 H new ATOM 0 HG3 PRO A 333 226.752 267.558 161.862 1.00107.03 H new ATOM 0 HD2 PRO A 333 227.816 267.003 164.609 1.00107.03 H new ATOM 0 HD3 PRO A 333 226.257 267.650 164.139 1.00107.03 H new ATOM 366 N ARG A 334 228.339 263.442 164.056 1.00 47.43 N ATOM 367 CA ARG A 334 229.044 262.232 164.469 1.00 47.43 C ATOM 368 C ARG A 334 228.129 261.285 165.244 1.00 47.43 C ATOM 369 O ARG A 334 228.176 260.070 165.048 1.00 47.43 O ATOM 370 CB ARG A 334 230.263 262.592 165.319 1.00 47.43 C ATOM 371 CG ARG A 334 231.296 263.419 164.571 1.00 47.43 C ATOM 372 CD ARG A 334 232.534 263.669 165.416 1.00 47.43 C ATOM 373 NE ARG A 334 233.421 264.657 164.809 1.00 47.43 N ATOM 374 CZ ARG A 334 233.160 265.960 164.767 1.00 47.43 C ATOM 375 NH1 ARG A 334 232.045 266.436 165.302 1.00 47.43 N ATOM 376 NH2 ARG A 334 234.020 266.790 164.191 1.00 47.43 N ATOM 0 H ARG A 334 228.595 264.279 164.580 1.00 47.43 H new ATOM 0 HA ARG A 334 229.373 261.718 163.566 1.00 47.43 H new ATOM 0 HB2 ARG A 334 229.933 263.145 166.199 1.00 47.43 H new ATOM 0 HB3 ARG A 334 230.732 261.675 165.676 1.00 47.43 H new ATOM 0 HG2 ARG A 334 231.580 262.904 163.653 1.00 47.43 H new ATOM 0 HG3 ARG A 334 230.856 264.373 164.278 1.00 47.43 H new ATOM 0 HD2 ARG A 334 232.234 264.012 166.406 1.00 47.43 H new ATOM 0 HD3 ARG A 334 233.074 262.732 165.553 1.00 47.43 H new ATOM 0 HE ARG A 334 234.292 264.328 164.393 1.00 47.43 H new ATOM 0 HH11 ARG A 334 231.382 265.802 165.749 1.00 47.43 H new ATOM 0 HH12 ARG A 334 231.849 267.436 165.267 1.00 47.43 H new ATOM 0 HH21 ARG A 334 234.881 266.428 163.781 1.00 47.43 H new ATOM 0 HH22 ARG A 334 233.820 267.790 164.159 1.00 47.43 H new ATOM 390 N GLU A 335 227.300 261.844 166.121 1.00 95.23 N ATOM 391 CA GLU A 335 226.385 261.033 166.921 1.00 95.23 C ATOM 392 C GLU A 335 225.324 260.390 166.037 1.00 95.23 C ATOM 393 O GLU A 335 225.055 259.193 166.146 1.00 95.23 O ATOM 394 CB GLU A 335 225.711 261.882 168.002 1.00 95.23 C ATOM 395 CG GLU A 335 226.667 262.363 169.078 1.00 95.23 C ATOM 396 CD GLU A 335 225.984 263.243 170.104 1.00 95.23 C ATOM 397 OE1 GLU A 335 224.884 263.753 169.807 1.00 95.23 O ATOM 398 OE2 GLU A 335 226.548 263.425 171.203 1.00 95.23 O ATOM 0 H GLU A 335 227.242 262.847 166.296 1.00 95.23 H new ATOM 0 HA GLU A 335 226.968 260.248 167.403 1.00 95.23 H new ATOM 0 HB2 GLU A 335 225.240 262.746 167.533 1.00 95.23 H new ATOM 0 HB3 GLU A 335 224.916 261.299 168.467 1.00 95.23 H new ATOM 0 HG2 GLU A 335 227.110 261.502 169.579 1.00 95.23 H new ATOM 0 HG3 GLU A 335 227.483 262.916 168.614 1.00 95.23 H new ATOM 405 N ALA A 336 224.724 261.188 165.162 1.00 30.86 N ATOM 406 CA ALA A 336 223.695 260.697 164.261 1.00 30.86 C ATOM 407 C ALA A 336 224.240 259.614 163.331 1.00 30.86 C ATOM 408 O ALA A 336 223.540 258.655 163.006 1.00 30.86 O ATOM 409 CB ALA A 336 223.101 261.845 163.458 1.00 30.86 C ATOM 0 H ALA A 336 224.935 262.181 165.059 1.00 30.86 H new ATOM 0 HA ALA A 336 222.906 260.248 164.865 1.00 30.86 H new ATOM 0 HB1 ALA A 336 222.332 261.461 162.788 1.00 30.86 H new ATOM 0 HB2 ALA A 336 222.659 262.574 164.137 1.00 30.86 H new ATOM 0 HB3 ALA A 336 223.886 262.324 162.873 1.00 30.86 H new ATOM 415 N MET A 337 225.490 259.775 162.904 1.00105.60 N ATOM 416 CA MET A 337 226.110 258.812 161.998 1.00105.60 C ATOM 417 C MET A 337 226.122 257.411 162.612 1.00105.60 C ATOM 418 O MET A 337 225.874 256.427 161.914 1.00105.60 O ATOM 419 CB MET A 337 227.539 259.232 161.646 1.00105.60 C ATOM 420 CG MET A 337 228.153 258.408 160.524 1.00105.60 C ATOM 421 SD MET A 337 227.548 258.891 158.896 1.00105.60 S ATOM 422 CE MET A 337 229.043 259.547 158.162 1.00105.60 C ATOM 0 H MET A 337 226.090 260.557 163.168 1.00105.60 H new ATOM 0 HA MET A 337 225.514 258.791 161.085 1.00105.60 H new ATOM 0 HB2 MET A 337 227.540 260.283 161.357 1.00105.60 H new ATOM 0 HB3 MET A 337 228.164 259.145 162.534 1.00105.60 H new ATOM 0 HG2 MET A 337 229.237 258.516 160.551 1.00105.60 H new ATOM 0 HG3 MET A 337 227.933 257.354 160.691 1.00105.60 H new ATOM 0 HE1 MET A 337 228.831 259.888 157.149 1.00105.60 H new ATOM 0 HE2 MET A 337 229.404 260.384 158.759 1.00105.60 H new ATOM 0 HE3 MET A 337 229.805 258.768 158.131 1.00105.60 H new ATOM 432 N VAL A 338 226.403 257.319 163.915 1.00103.66 N ATOM 433 CA VAL A 338 226.435 256.025 164.586 1.00103.66 C ATOM 434 C VAL A 338 225.068 255.362 164.503 1.00103.66 C ATOM 435 O VAL A 338 224.962 254.158 164.263 1.00103.66 O ATOM 436 CB VAL A 338 226.883 256.134 166.065 1.00103.66 C ATOM 437 CG1 VAL A 338 225.698 256.361 166.985 1.00103.66 C ATOM 438 CG2 VAL A 338 227.658 254.897 166.478 1.00103.66 C ATOM 0 H VAL A 338 226.609 258.117 164.516 1.00103.66 H new ATOM 0 HA VAL A 338 227.175 255.413 164.070 1.00103.66 H new ATOM 0 HB VAL A 338 227.540 256.999 166.154 1.00103.66 H new ATOM 0 HG11 VAL A 338 226.046 256.433 168.015 1.00103.66 H new ATOM 0 HG12 VAL A 338 225.193 257.286 166.707 1.00103.66 H new ATOM 0 HG13 VAL A 338 225.002 255.527 166.895 1.00103.66 H new ATOM 0 HG21 VAL A 338 227.965 254.991 167.520 1.00103.66 H new ATOM 0 HG22 VAL A 338 227.026 254.017 166.364 1.00103.66 H new ATOM 0 HG23 VAL A 338 228.541 254.794 165.848 1.00103.66 H new ATOM 448 N LEU A 339 224.016 256.154 164.677 1.00 82.10 N ATOM 449 CA LEU A 339 222.667 255.624 164.611 1.00 82.10 C ATOM 450 C LEU A 339 222.300 255.357 163.151 1.00 82.10 C ATOM 451 O LEU A 339 221.546 254.431 162.856 1.00 82.10 O ATOM 452 CB LEU A 339 221.676 256.584 165.272 1.00 82.10 C ATOM 453 CG LEU A 339 222.008 256.954 166.721 1.00 82.10 C ATOM 454 CD1 LEU A 339 220.897 257.792 167.330 1.00 82.10 C ATOM 455 CD2 LEU A 339 222.242 255.702 167.553 1.00 82.10 C ATOM 0 H LEU A 339 224.074 257.155 164.863 1.00 82.10 H new ATOM 0 HA LEU A 339 222.619 254.683 165.160 1.00 82.10 H new ATOM 0 HB2 LEU A 339 221.628 257.498 164.680 1.00 82.10 H new ATOM 0 HB3 LEU A 339 220.683 256.134 165.245 1.00 82.10 H new ATOM 0 HG LEU A 339 222.924 257.545 166.719 1.00 82.10 H new ATOM 0 HD11 LEU A 339 221.153 258.044 168.359 1.00 82.10 H new ATOM 0 HD12 LEU A 339 220.774 258.708 166.752 1.00 82.10 H new ATOM 0 HD13 LEU A 339 219.965 257.226 167.316 1.00 82.10 H new ATOM 0 HD21 LEU A 339 222.476 255.986 168.579 1.00 82.10 H new ATOM 0 HD22 LEU A 339 221.343 255.085 167.543 1.00 82.10 H new ATOM 0 HD23 LEU A 339 223.074 255.137 167.134 1.00 82.10 H new ATOM 467 N ARG A 340 222.879 256.139 162.231 1.00105.77 N ATOM 468 CA ARG A 340 222.609 255.950 160.810 1.00105.77 C ATOM 469 C ARG A 340 222.998 254.529 160.437 1.00105.77 C ATOM 470 O ARG A 340 222.244 253.807 159.779 1.00105.77 O ATOM 471 CB ARG A 340 223.395 256.948 159.950 1.00105.77 C ATOM 472 CG ARG A 340 222.817 258.355 159.944 1.00105.77 C ATOM 473 CD ARG A 340 223.598 259.274 159.014 1.00105.77 C ATOM 474 NE ARG A 340 223.159 260.663 159.118 1.00105.77 N ATOM 475 CZ ARG A 340 223.686 261.660 158.413 1.00105.77 C ATOM 476 NH1 ARG A 340 224.664 261.424 157.550 1.00105.77 N ATOM 477 NH2 ARG A 340 223.233 262.896 158.570 1.00105.77 N ATOM 0 H ARG A 340 223.527 256.897 162.446 1.00105.77 H new ATOM 0 HA ARG A 340 221.549 256.122 160.623 1.00105.77 H new ATOM 0 HB2 ARG A 340 224.423 256.991 160.311 1.00105.77 H new ATOM 0 HB3 ARG A 340 223.432 256.578 158.925 1.00105.77 H new ATOM 0 HG2 ARG A 340 221.774 258.320 159.631 1.00105.77 H new ATOM 0 HG3 ARG A 340 222.833 258.760 160.956 1.00105.77 H new ATOM 0 HD2 ARG A 340 224.660 259.211 159.251 1.00105.77 H new ATOM 0 HD3 ARG A 340 223.480 258.933 157.985 1.00105.77 H new ATOM 0 HE ARG A 340 222.405 260.881 159.769 1.00105.77 H new ATOM 0 HH11 ARG A 340 225.015 260.475 157.424 1.00105.77 H new ATOM 0 HH12 ARG A 340 225.065 262.192 157.011 1.00105.77 H new ATOM 0 HH21 ARG A 340 222.480 263.083 159.232 1.00105.77 H new ATOM 0 HH22 ARG A 340 223.638 263.660 158.029 1.00105.77 H new ATOM 491 N MET A 341 224.177 254.124 160.905 1.00 78.27 N ATOM 492 CA MET A 341 224.681 252.784 160.657 1.00 78.27 C ATOM 493 C MET A 341 223.784 251.770 161.353 1.00 78.27 C ATOM 494 O MET A 341 223.369 250.771 160.757 1.00 78.27 O ATOM 495 CB MET A 341 226.119 252.641 161.169 1.00 78.27 C ATOM 496 CG MET A 341 227.161 253.269 160.258 1.00 78.27 C ATOM 497 SD MET A 341 228.832 252.700 160.615 1.00 78.27 S ATOM 498 CE MET A 341 228.691 250.967 160.187 1.00 78.27 C ATOM 0 H MET A 341 224.800 254.711 161.460 1.00 78.27 H new ATOM 0 HA MET A 341 224.679 252.602 159.582 1.00 78.27 H new ATOM 0 HB2 MET A 341 226.190 253.098 162.156 1.00 78.27 H new ATOM 0 HB3 MET A 341 226.348 251.582 161.291 1.00 78.27 H new ATOM 0 HG2 MET A 341 226.917 253.038 159.221 1.00 78.27 H new ATOM 0 HG3 MET A 341 227.121 254.353 160.361 1.00 78.27 H new ATOM 0 HE1 MET A 341 229.208 250.364 160.934 1.00 78.27 H new ATOM 0 HE2 MET A 341 227.639 250.684 160.157 1.00 78.27 H new ATOM 0 HE3 MET A 341 229.141 250.796 159.209 1.00 78.27 H new ATOM 508 N ARG A 342 223.480 252.042 162.620 1.00 79.00 N ATOM 509 CA ARG A 342 222.630 251.166 163.418 1.00 79.00 C ATOM 510 C ARG A 342 221.248 251.020 162.785 1.00 79.00 C ATOM 511 O ARG A 342 220.617 249.968 162.898 1.00 79.00 O ATOM 512 CB ARG A 342 222.488 251.715 164.840 1.00 79.00 C ATOM 513 CG ARG A 342 221.755 250.772 165.781 1.00 79.00 C ATOM 514 CD ARG A 342 221.793 251.262 167.221 1.00 79.00 C ATOM 515 NE ARG A 342 221.093 250.361 168.136 1.00 79.00 N ATOM 516 CZ ARG A 342 220.661 250.718 169.344 1.00 79.00 C ATOM 517 NH1 ARG A 342 220.881 251.943 169.795 1.00 79.00 N ATOM 518 NH2 ARG A 342 220.015 249.843 170.102 1.00 79.00 N ATOM 0 H ARG A 342 223.813 252.868 163.117 1.00 79.00 H new ATOM 0 HA ARG A 342 223.102 250.184 163.455 1.00 79.00 H new ATOM 0 HB2 ARG A 342 223.480 251.920 165.243 1.00 79.00 H new ATOM 0 HB3 ARG A 342 221.956 252.666 164.803 1.00 79.00 H new ATOM 0 HG2 ARG A 342 220.718 250.672 165.459 1.00 79.00 H new ATOM 0 HG3 ARG A 342 222.204 249.780 165.723 1.00 79.00 H new ATOM 0 HD2 ARG A 342 222.830 251.365 167.540 1.00 79.00 H new ATOM 0 HD3 ARG A 342 221.343 252.253 167.276 1.00 79.00 H new ATOM 0 HE ARG A 342 220.926 249.402 167.831 1.00 79.00 H new ATOM 0 HH11 ARG A 342 221.383 252.617 169.217 1.00 79.00 H new ATOM 0 HH12 ARG A 342 220.549 252.213 170.721 1.00 79.00 H new ATOM 0 HH21 ARG A 342 219.849 248.897 169.760 1.00 79.00 H new ATOM 0 HH22 ARG A 342 219.684 250.116 171.027 1.00 79.00 H new ATOM 532 N TYR A 343 220.781 252.081 162.127 1.00143.91 N ATOM 533 CA TYR A 343 219.468 252.067 161.481 1.00143.91 C ATOM 534 C TYR A 343 219.518 251.372 160.120 1.00143.91 C ATOM 535 O TYR A 343 218.484 250.983 159.578 1.00143.91 O ATOM 536 CB TYR A 343 218.947 253.493 161.283 1.00143.91 C ATOM 537 CG TYR A 343 218.428 254.170 162.535 1.00143.91 C ATOM 538 CD1 TYR A 343 219.013 253.959 163.779 1.00143.91 C ATOM 539 CD2 TYR A 343 217.347 255.041 162.460 1.00143.91 C ATOM 540 CE1 TYR A 343 218.526 254.594 164.912 1.00143.91 C ATOM 541 CE2 TYR A 343 216.858 255.678 163.582 1.00143.91 C ATOM 542 CZ TYR A 343 217.448 255.453 164.805 1.00143.91 C ATOM 543 OH TYR A 343 216.958 256.087 165.924 1.00143.91 O ATOM 0 H TYR A 343 221.291 252.959 162.027 1.00143.91 H new ATOM 0 HA TYR A 343 218.797 251.514 162.138 1.00143.91 H new ATOM 0 HB2 TYR A 343 219.750 254.101 160.867 1.00143.91 H new ATOM 0 HB3 TYR A 343 218.147 253.471 160.543 1.00143.91 H new ATOM 0 HD1 TYR A 343 219.858 253.292 163.864 1.00143.91 H new ATOM 0 HD2 TYR A 343 216.880 255.223 161.503 1.00143.91 H new ATOM 0 HE1 TYR A 343 218.987 254.418 165.873 1.00143.91 H new ATOM 0 HE2 TYR A 343 216.016 256.350 163.501 1.00143.91 H new ATOM 0 HH TYR A 343 216.200 256.655 165.673 1.00143.91 H new ATOM 553 N GLY A 344 220.716 251.233 159.562 1.00 25.24 N ATOM 554 CA GLY A 344 220.854 250.603 158.255 1.00 25.24 C ATOM 555 C GLY A 344 220.655 251.590 157.117 1.00 25.24 C ATOM 556 O GLY A 344 220.412 251.197 155.976 1.00 25.24 O ATOM 0 H GLY A 344 221.591 251.542 159.986 1.00 25.24 H new ATOM 0 HA2 GLY A 344 221.843 250.152 158.174 1.00 25.24 H new ATOM 0 HA3 GLY A 344 220.127 249.796 158.164 1.00 25.24 H new ATOM 560 N LEU A 345 220.751 252.875 157.439 1.00 51.39 N ATOM 561 CA LEU A 345 220.569 253.938 156.451 1.00 51.39 C ATOM 562 C LEU A 345 221.807 254.109 155.571 1.00 51.39 C ATOM 563 O LEU A 345 221.704 254.518 154.415 1.00 51.39 O ATOM 564 CB LEU A 345 220.250 255.260 157.156 1.00 51.39 C ATOM 565 CG LEU A 345 219.079 255.207 158.135 1.00 51.39 C ATOM 566 CD1 LEU A 345 218.882 256.555 158.810 1.00 51.39 C ATOM 567 CD2 LEU A 345 217.808 254.776 157.420 1.00 51.39 C ATOM 0 H LEU A 345 220.955 253.209 158.381 1.00 51.39 H new ATOM 0 HA LEU A 345 219.736 253.653 155.808 1.00 51.39 H new ATOM 0 HB2 LEU A 345 221.138 255.590 157.694 1.00 51.39 H new ATOM 0 HB3 LEU A 345 220.037 256.015 156.399 1.00 51.39 H new ATOM 0 HG LEU A 345 219.308 254.471 158.905 1.00 51.39 H new ATOM 0 HD11 LEU A 345 218.043 256.496 159.503 1.00 51.39 H new ATOM 0 HD12 LEU A 345 219.786 256.824 159.356 1.00 51.39 H new ATOM 0 HD13 LEU A 345 218.676 257.313 158.055 1.00 51.39 H new ATOM 0 HD21 LEU A 345 216.983 254.743 158.132 1.00 51.39 H new ATOM 0 HD22 LEU A 345 217.576 255.489 156.629 1.00 51.39 H new ATOM 0 HD23 LEU A 345 217.952 253.786 156.986 1.00 51.39 H new ATOM 579 N LEU A 346 222.974 253.812 156.130 1.00 73.40 N ATOM 580 CA LEU A 346 224.234 253.947 155.401 1.00 73.40 C ATOM 581 C LEU A 346 224.267 253.083 154.138 1.00 73.40 C ATOM 582 O LEU A 346 224.707 253.542 153.084 1.00 73.40 O ATOM 583 CB LEU A 346 225.410 253.576 156.309 1.00 73.40 C ATOM 584 CG LEU A 346 226.799 253.760 155.692 1.00 73.40 C ATOM 585 CD1 LEU A 346 227.145 255.237 155.581 1.00 73.40 C ATOM 586 CD2 LEU A 346 227.850 253.025 156.507 1.00 73.40 C ATOM 0 H LEU A 346 223.076 253.475 157.087 1.00 73.40 H new ATOM 0 HA LEU A 346 224.318 254.989 155.092 1.00 73.40 H new ATOM 0 HB2 LEU A 346 225.351 254.178 157.216 1.00 73.40 H new ATOM 0 HB3 LEU A 346 225.300 252.534 156.610 1.00 73.40 H new ATOM 0 HG LEU A 346 226.785 253.335 154.688 1.00 73.40 H new ATOM 0 HD11 LEU A 346 228.136 255.346 155.140 1.00 73.40 H new ATOM 0 HD12 LEU A 346 226.410 255.736 154.950 1.00 73.40 H new ATOM 0 HD13 LEU A 346 227.137 255.688 156.573 1.00 73.40 H new ATOM 0 HD21 LEU A 346 228.830 253.169 156.051 1.00 73.40 H new ATOM 0 HD22 LEU A 346 227.862 253.417 157.524 1.00 73.40 H new ATOM 0 HD23 LEU A 346 227.614 251.961 156.531 1.00 73.40 H new ATOM 598 N ASP A 347 223.829 251.830 154.249 1.00113.98 N ATOM 599 CA ASP A 347 223.840 250.923 153.102 1.00113.98 C ATOM 600 C ASP A 347 222.473 250.290 152.842 1.00113.98 C ATOM 601 O ASP A 347 222.286 249.602 151.838 1.00113.98 O ATOM 602 CB ASP A 347 224.882 249.826 153.323 1.00113.98 C ATOM 603 CG ASP A 347 225.089 248.966 152.092 1.00113.98 C ATOM 604 OD1 ASP A 347 224.626 249.368 151.003 1.00113.98 O ATOM 605 OD2 ASP A 347 225.713 247.892 152.218 1.00113.98 O ATOM 0 H ASP A 347 223.466 251.423 155.111 1.00113.98 H new ATOM 0 HA ASP A 347 224.095 251.515 152.223 1.00113.98 H new ATOM 0 HB2 ASP A 347 225.830 250.282 153.607 1.00113.98 H new ATOM 0 HB3 ASP A 347 224.570 249.195 154.155 1.00113.98 H new ATOM 610 N GLY A 348 221.524 250.513 153.740 1.00 30.33 N ATOM 611 CA GLY A 348 220.199 249.937 153.562 1.00 30.33 C ATOM 612 C GLY A 348 219.969 248.701 154.412 1.00 30.33 C ATOM 613 O GLY A 348 218.870 248.146 154.431 1.00 30.33 O ATOM 0 H GLY A 348 221.642 251.076 154.582 1.00 30.33 H new ATOM 0 HA2 GLY A 348 219.447 250.686 153.810 1.00 30.33 H new ATOM 0 HA3 GLY A 348 220.059 249.680 152.512 1.00 30.33 H new ATOM 617 N LYS A 349 221.009 248.268 155.115 1.00117.13 N ATOM 618 CA LYS A 349 220.926 247.086 155.972 1.00117.13 C ATOM 619 C LYS A 349 221.213 247.455 157.426 1.00117.13 C ATOM 620 O LYS A 349 222.334 247.830 157.765 1.00117.13 O ATOM 621 CB LYS A 349 221.922 246.018 155.503 1.00117.13 C ATOM 622 CG LYS A 349 223.372 246.482 155.537 1.00117.13 C ATOM 623 CD LYS A 349 224.173 245.910 154.377 1.00117.13 C ATOM 624 CE LYS A 349 224.627 244.487 154.658 1.00117.13 C ATOM 625 NZ LYS A 349 225.995 244.445 155.248 1.00117.13 N ATOM 0 H LYS A 349 221.924 248.718 155.110 1.00117.13 H new ATOM 0 HA LYS A 349 219.914 246.686 155.904 1.00117.13 H new ATOM 0 HB2 LYS A 349 221.817 245.134 156.132 1.00117.13 H new ATOM 0 HB3 LYS A 349 221.669 245.718 154.486 1.00117.13 H new ATOM 0 HG2 LYS A 349 223.407 247.571 155.501 1.00117.13 H new ATOM 0 HG3 LYS A 349 223.829 246.179 156.479 1.00117.13 H new ATOM 0 HD2 LYS A 349 223.566 245.927 153.472 1.00117.13 H new ATOM 0 HD3 LYS A 349 225.043 246.540 154.189 1.00117.13 H new ATOM 0 HE2 LYS A 349 223.923 244.010 155.340 1.00117.13 H new ATOM 0 HE3 LYS A 349 224.614 243.912 153.732 1.00117.13 H new ATOM 0 HZ1 LYS A 349 226.664 244.065 154.548 1.00117.13 H new ATOM 0 HZ2 LYS A 349 226.286 245.406 155.519 1.00117.13 H new ATOM 0 HZ3 LYS A 349 225.991 243.834 156.090 1.00117.13 H new ATOM 639 N PRO A 350 220.203 247.360 158.313 1.00105.72 N ATOM 640 CA PRO A 350 220.374 247.690 159.732 1.00105.72 C ATOM 641 C PRO A 350 221.372 246.774 160.427 1.00105.72 C ATOM 642 O PRO A 350 221.276 245.549 160.345 1.00105.72 O ATOM 643 CB PRO A 350 218.977 247.502 160.327 1.00105.72 C ATOM 644 CG PRO A 350 218.274 246.595 159.377 1.00105.72 C ATOM 645 CD PRO A 350 218.822 246.920 158.012 1.00105.72 C ATOM 0 HA PRO A 350 220.771 248.697 159.861 1.00105.72 H new ATOM 0 HB2 PRO A 350 219.028 247.066 161.325 1.00105.72 H new ATOM 0 HB3 PRO A 350 218.456 248.455 160.422 1.00105.72 H new ATOM 0 HG2 PRO A 350 218.452 245.550 159.631 1.00105.72 H new ATOM 0 HG3 PRO A 350 217.196 246.752 159.412 1.00105.72 H new ATOM 0 HD2 PRO A 350 218.808 246.052 157.353 1.00105.72 H new ATOM 0 HD3 PRO A 350 218.245 247.703 157.520 1.00105.72 H new ATOM 653 N LYS A 351 222.330 247.382 161.115 1.00174.26 N ATOM 654 CA LYS A 351 223.355 246.640 161.833 1.00174.26 C ATOM 655 C LYS A 351 223.297 246.954 163.319 1.00174.26 C ATOM 656 O LYS A 351 222.786 247.998 163.719 1.00174.26 O ATOM 657 CB LYS A 351 224.739 247.002 161.299 1.00174.26 C ATOM 658 CG LYS A 351 224.941 246.694 159.828 1.00174.26 C ATOM 659 CD LYS A 351 226.410 246.454 159.519 1.00174.26 C ATOM 660 CE LYS A 351 226.648 246.316 158.029 1.00174.26 C ATOM 661 NZ LYS A 351 227.101 247.598 157.424 1.00174.26 N ATOM 0 H LYS A 351 222.417 248.395 161.190 1.00174.26 H new ATOM 0 HA LYS A 351 223.172 245.576 161.683 1.00174.26 H new ATOM 0 HB2 LYS A 351 224.912 248.066 161.462 1.00174.26 H new ATOM 0 HB3 LYS A 351 225.491 246.465 161.877 1.00174.26 H new ATOM 0 HG2 LYS A 351 224.359 245.814 159.554 1.00174.26 H new ATOM 0 HG3 LYS A 351 224.569 247.522 159.225 1.00174.26 H new ATOM 0 HD2 LYS A 351 227.005 247.280 159.909 1.00174.26 H new ATOM 0 HD3 LYS A 351 226.747 245.551 160.028 1.00174.26 H new ATOM 0 HE2 LYS A 351 227.397 245.544 157.850 1.00174.26 H new ATOM 0 HE3 LYS A 351 225.729 245.988 157.542 1.00174.26 H new ATOM 0 HZ1 LYS A 351 227.254 247.466 156.404 1.00174.26 H new ATOM 0 HZ2 LYS A 351 226.375 248.328 157.574 1.00174.26 H new ATOM 0 HZ3 LYS A 351 227.991 247.898 157.871 1.00174.26 H new ATOM 675 N THR A 352 223.839 246.058 164.137 1.00 49.67 N ATOM 676 CA THR A 352 223.851 246.274 165.580 1.00 49.67 C ATOM 677 C THR A 352 224.933 247.272 165.965 1.00 49.67 C ATOM 678 O THR A 352 225.826 247.560 165.172 1.00 49.67 O ATOM 679 CB THR A 352 224.064 244.972 166.369 1.00 49.67 C ATOM 680 OG1 THR A 352 225.390 244.473 166.156 1.00 49.67 O ATOM 681 CG2 THR A 352 223.040 243.925 165.952 1.00 49.67 C ATOM 0 H THR A 352 224.271 245.186 163.831 1.00 49.67 H new ATOM 0 HA THR A 352 222.869 246.670 165.840 1.00 49.67 H new ATOM 0 HB THR A 352 223.934 245.186 167.430 1.00 49.67 H new ATOM 0 HG1 THR A 352 225.514 243.645 166.665 1.00 49.67 H new ATOM 0 HG21 THR A 352 223.204 243.009 166.520 1.00 49.67 H new ATOM 0 HG22 THR A 352 222.036 244.299 166.150 1.00 49.67 H new ATOM 0 HG23 THR A 352 223.146 243.716 164.887 1.00 49.67 H new ATOM 689 N LEU A 353 224.846 247.810 167.180 1.00 78.80 N ATOM 690 CA LEU A 353 225.827 248.782 167.638 1.00 78.80 C ATOM 691 C LEU A 353 227.246 248.232 167.543 1.00 78.80 C ATOM 692 O LEU A 353 228.189 248.969 167.256 1.00 78.80 O ATOM 693 CB LEU A 353 225.537 249.261 169.070 1.00 78.80 C ATOM 694 CG LEU A 353 224.132 249.821 169.356 1.00 78.80 C ATOM 695 CD1 LEU A 353 223.467 249.067 170.498 1.00 78.80 C ATOM 696 CD2 LEU A 353 224.170 251.312 169.654 1.00 78.80 C ATOM 0 H LEU A 353 224.114 247.590 167.856 1.00 78.80 H new ATOM 0 HA LEU A 353 225.746 249.642 166.973 1.00 78.80 H new ATOM 0 HB2 LEU A 353 225.711 248.425 169.747 1.00 78.80 H new ATOM 0 HB3 LEU A 353 226.265 250.032 169.322 1.00 78.80 H new ATOM 0 HG LEU A 353 223.538 249.678 168.453 1.00 78.80 H new ATOM 0 HD11 LEU A 353 222.476 249.482 170.680 1.00 78.80 H new ATOM 0 HD12 LEU A 353 223.376 248.013 170.234 1.00 78.80 H new ATOM 0 HD13 LEU A 353 224.072 249.164 171.399 1.00 78.80 H new ATOM 0 HD21 LEU A 353 223.159 251.670 169.851 1.00 78.80 H new ATOM 0 HD22 LEU A 353 224.795 251.492 170.528 1.00 78.80 H new ATOM 0 HD23 LEU A 353 224.583 251.844 168.797 1.00 78.80 H new ATOM 708 N GLU A 354 227.393 246.937 167.786 1.00 73.25 N ATOM 709 CA GLU A 354 228.703 246.295 167.732 1.00 73.25 C ATOM 710 C GLU A 354 229.397 246.563 166.398 1.00 73.25 C ATOM 711 O GLU A 354 230.607 246.785 166.350 1.00 73.25 O ATOM 712 CB GLU A 354 228.557 244.789 167.953 1.00 73.25 C ATOM 713 CG GLU A 354 229.880 244.047 168.044 1.00 73.25 C ATOM 714 CD GLU A 354 229.703 242.545 168.161 1.00 73.25 C ATOM 715 OE1 GLU A 354 228.544 242.082 168.144 1.00 73.25 O ATOM 716 OE2 GLU A 354 230.723 241.832 168.272 1.00 73.25 O ATOM 0 H GLU A 354 226.624 246.310 168.022 1.00 73.25 H new ATOM 0 HA GLU A 354 229.320 246.718 168.525 1.00 73.25 H new ATOM 0 HB2 GLU A 354 227.993 244.620 168.870 1.00 73.25 H new ATOM 0 HB3 GLU A 354 227.971 244.367 167.136 1.00 73.25 H new ATOM 0 HG2 GLU A 354 230.478 244.270 167.161 1.00 73.25 H new ATOM 0 HG3 GLU A 354 230.437 244.411 168.907 1.00 73.25 H new ATOM 723 N GLU A 355 228.622 246.541 165.318 1.00 66.75 N ATOM 724 CA GLU A 355 229.156 246.788 163.983 1.00 66.75 C ATOM 725 C GLU A 355 229.522 248.257 163.795 1.00 66.75 C ATOM 726 O GLU A 355 230.545 248.579 163.191 1.00 66.75 O ATOM 727 CB GLU A 355 228.134 246.382 162.919 1.00 66.75 C ATOM 728 CG GLU A 355 227.863 244.889 162.859 1.00 66.75 C ATOM 729 CD GLU A 355 229.105 244.086 162.540 1.00 66.75 C ATOM 730 OE1 GLU A 355 230.085 244.680 162.047 1.00 66.75 O ATOM 731 OE2 GLU A 355 229.098 242.861 162.785 1.00 66.75 O ATOM 0 H GLU A 355 227.620 246.354 165.342 1.00 66.75 H new ATOM 0 HA GLU A 355 230.059 246.187 163.873 1.00 66.75 H new ATOM 0 HB2 GLU A 355 227.197 246.903 163.113 1.00 66.75 H new ATOM 0 HB3 GLU A 355 228.488 246.716 161.944 1.00 66.75 H new ATOM 0 HG2 GLU A 355 227.456 244.558 163.815 1.00 66.75 H new ATOM 0 HG3 GLU A 355 227.103 244.691 162.103 1.00 66.75 H new ATOM 738 N VAL A 356 228.670 249.144 164.298 1.00 27.31 N ATOM 739 CA VAL A 356 228.896 250.580 164.166 1.00 27.31 C ATOM 740 C VAL A 356 230.050 251.060 165.043 1.00 27.31 C ATOM 741 O VAL A 356 231.002 251.666 164.547 1.00 27.31 O ATOM 742 CB VAL A 356 227.633 251.387 164.514 1.00 27.31 C ATOM 743 CG1 VAL A 356 227.841 252.856 164.181 1.00 27.31 C ATOM 744 CG2 VAL A 356 226.423 250.834 163.774 1.00 27.31 C ATOM 0 H VAL A 356 227.818 248.895 164.800 1.00 27.31 H new ATOM 0 HA VAL A 356 229.154 250.750 163.121 1.00 27.31 H new ATOM 0 HB VAL A 356 227.446 251.297 165.584 1.00 27.31 H new ATOM 0 HG11 VAL A 356 226.941 253.417 164.432 1.00 27.31 H new ATOM 0 HG12 VAL A 356 228.682 253.244 164.756 1.00 27.31 H new ATOM 0 HG13 VAL A 356 228.050 252.962 163.116 1.00 27.31 H new ATOM 0 HG21 VAL A 356 225.540 251.418 164.033 1.00 27.31 H new ATOM 0 HG22 VAL A 356 226.595 250.894 162.699 1.00 27.31 H new ATOM 0 HG23 VAL A 356 226.267 249.794 164.059 1.00 27.31 H new ATOM 754 N GLY A 357 229.968 250.792 166.342 1.00 22.34 N ATOM 755 CA GLY A 357 231.020 251.216 167.245 1.00 22.34 C ATOM 756 C GLY A 357 232.369 250.672 166.828 1.00 22.34 C ATOM 757 O GLY A 357 233.346 251.417 166.730 1.00 22.34 O ATOM 0 H GLY A 357 229.196 250.292 166.783 1.00 22.34 H new ATOM 0 HA2 GLY A 357 231.059 252.305 167.272 1.00 22.34 H new ATOM 0 HA3 GLY A 357 230.789 250.880 168.256 1.00 22.34 H new ATOM 761 N GLN A 358 232.420 249.369 166.572 1.00 88.15 N ATOM 762 CA GLN A 358 233.654 248.721 166.149 1.00 88.15 C ATOM 763 C GLN A 358 234.132 249.284 164.813 1.00 88.15 C ATOM 764 O GLN A 358 235.330 249.303 164.527 1.00 88.15 O ATOM 765 CB GLN A 358 233.443 247.212 166.034 1.00 88.15 C ATOM 766 CG GLN A 358 233.159 246.527 167.363 1.00 88.15 C ATOM 767 CD GLN A 358 232.893 245.043 167.205 1.00 88.15 C ATOM 768 OE1 GLN A 358 232.576 244.570 166.112 1.00 88.15 O ATOM 769 NE2 GLN A 358 233.020 244.298 168.297 1.00 88.15 N ATOM 0 H GLN A 358 231.620 248.741 166.650 1.00 88.15 H new ATOM 0 HA GLN A 358 234.419 248.919 166.900 1.00 88.15 H new ATOM 0 HB2 GLN A 358 232.613 247.022 165.353 1.00 88.15 H new ATOM 0 HB3 GLN A 358 234.331 246.764 165.587 1.00 88.15 H new ATOM 0 HG2 GLN A 358 234.008 246.672 168.032 1.00 88.15 H new ATOM 0 HG3 GLN A 358 232.297 246.999 167.835 1.00 88.15 H new ATOM 0 HE21 GLN A 358 233.284 244.731 169.182 1.00 88.15 H new ATOM 0 HE22 GLN A 358 232.853 243.293 168.251 1.00 88.15 H new ATOM 778 N TYR A 359 233.187 249.744 163.997 1.00138.50 N ATOM 779 CA TYR A 359 233.518 250.303 162.693 1.00138.50 C ATOM 780 C TYR A 359 234.299 251.600 162.859 1.00138.50 C ATOM 781 O TYR A 359 235.193 251.904 162.071 1.00138.50 O ATOM 782 CB TYR A 359 232.251 250.558 161.871 1.00138.50 C ATOM 783 CG TYR A 359 232.022 249.531 160.780 1.00138.50 C ATOM 784 CD1 TYR A 359 232.161 248.171 161.035 1.00138.50 C ATOM 785 CD2 TYR A 359 231.667 249.922 159.493 1.00138.50 C ATOM 786 CE1 TYR A 359 231.955 247.233 160.039 1.00138.50 C ATOM 787 CE2 TYR A 359 231.458 248.989 158.494 1.00138.50 C ATOM 788 CZ TYR A 359 231.602 247.647 158.773 1.00138.50 C ATOM 789 OH TYR A 359 231.398 246.716 157.780 1.00138.50 O ATOM 0 H TYR A 359 232.191 249.740 164.216 1.00138.50 H new ATOM 0 HA TYR A 359 234.135 249.580 162.160 1.00138.50 H new ATOM 0 HB2 TYR A 359 231.389 250.566 162.539 1.00138.50 H new ATOM 0 HB3 TYR A 359 232.313 251.548 161.420 1.00138.50 H new ATOM 0 HD1 TYR A 359 232.434 247.842 162.027 1.00138.50 H new ATOM 0 HD2 TYR A 359 231.553 250.973 159.270 1.00138.50 H new ATOM 0 HE1 TYR A 359 232.070 246.181 160.253 1.00138.50 H new ATOM 0 HE2 TYR A 359 231.183 249.310 157.500 1.00138.50 H new ATOM 0 HH TYR A 359 231.154 247.173 156.948 1.00138.50 H new ATOM 799 N PHE A 360 233.964 252.354 163.900 1.00144.00 N ATOM 800 CA PHE A 360 234.646 253.610 164.181 1.00144.00 C ATOM 801 C PHE A 360 235.836 253.375 165.107 1.00144.00 C ATOM 802 O PHE A 360 236.943 253.096 164.646 1.00144.00 O ATOM 803 CB PHE A 360 233.669 254.616 164.795 1.00144.00 C ATOM 804 CG PHE A 360 232.677 255.161 163.801 1.00144.00 C ATOM 805 CD1 PHE A 360 233.087 256.014 162.786 1.00144.00 C ATOM 806 CD2 PHE A 360 231.334 254.831 163.890 1.00144.00 C ATOM 807 CE1 PHE A 360 232.175 256.528 161.878 1.00144.00 C ATOM 808 CE2 PHE A 360 230.414 255.342 162.989 1.00144.00 C ATOM 809 CZ PHE A 360 230.835 256.191 161.981 1.00144.00 C ATOM 0 H PHE A 360 233.225 252.117 164.562 1.00144.00 H new ATOM 0 HA PHE A 360 235.021 254.023 163.245 1.00144.00 H new ATOM 0 HB2 PHE A 360 233.129 254.137 165.612 1.00144.00 H new ATOM 0 HB3 PHE A 360 234.233 255.443 165.227 1.00144.00 H new ATOM 0 HD1 PHE A 360 234.130 256.281 162.703 1.00144.00 H new ATOM 0 HD2 PHE A 360 231.000 254.166 164.673 1.00144.00 H new ATOM 0 HE1 PHE A 360 232.508 257.190 161.092 1.00144.00 H new ATOM 0 HE2 PHE A 360 229.370 255.078 163.073 1.00144.00 H new ATOM 0 HZ PHE A 360 230.121 256.590 161.276 1.00144.00 H new ATOM 819 N ASN A 361 235.606 253.479 166.413 1.00222.30 N ATOM 820 CA ASN A 361 236.670 253.266 167.393 1.00222.30 C ATOM 821 C ASN A 361 236.119 253.289 168.813 1.00222.30 C ATOM 822 O ASN A 361 236.831 253.642 169.753 1.00222.30 O ATOM 823 CB ASN A 361 237.750 254.340 167.244 1.00222.30 C ATOM 824 CG ASN A 361 237.242 255.732 167.569 1.00222.30 C ATOM 825 OD1 ASN A 361 236.036 255.974 167.607 1.00222.30 O ATOM 826 ND2 ASN A 361 238.166 256.659 167.807 1.00222.30 N ATOM 0 H ASN A 361 234.698 253.708 166.817 1.00222.30 H new ATOM 0 HA ASN A 361 237.106 252.285 167.206 1.00222.30 H new ATOM 0 HB2 ASN A 361 238.587 254.101 167.900 1.00222.30 H new ATOM 0 HB3 ASN A 361 238.131 254.326 166.223 1.00222.30 H new ATOM 0 HD21 ASN A 361 237.885 257.613 168.032 1.00222.30 H new ATOM 0 HD22 ASN A 361 239.156 256.415 167.765 1.00222.30 H new ATOM 833 N VAL A 362 234.848 252.928 168.964 1.00149.29 N ATOM 834 CA VAL A 362 234.209 252.935 170.275 1.00149.29 C ATOM 835 C VAL A 362 233.243 251.766 170.456 1.00149.29 C ATOM 836 O VAL A 362 232.732 251.207 169.484 1.00149.29 O ATOM 837 CB VAL A 362 233.447 254.250 170.504 1.00149.29 C ATOM 838 CG1 VAL A 362 234.404 255.430 170.509 1.00149.29 C ATOM 839 CG2 VAL A 362 232.370 254.426 169.445 1.00149.29 C ATOM 0 H VAL A 362 234.243 252.629 168.199 1.00149.29 H new ATOM 0 HA VAL A 362 235.010 252.836 171.008 1.00149.29 H new ATOM 0 HB VAL A 362 232.963 254.207 171.480 1.00149.29 H new ATOM 0 HG11 VAL A 362 233.845 256.351 170.672 1.00149.29 H new ATOM 0 HG12 VAL A 362 235.135 255.302 171.308 1.00149.29 H new ATOM 0 HG13 VAL A 362 234.920 255.484 169.550 1.00149.29 H new ATOM 0 HG21 VAL A 362 231.838 255.361 169.619 1.00149.29 H new ATOM 0 HG22 VAL A 362 232.831 254.449 168.458 1.00149.29 H new ATOM 0 HG23 VAL A 362 231.668 253.594 169.498 1.00149.29 H new ATOM 849 N THR A 363 232.992 251.411 171.715 1.00102.94 N ATOM 850 CA THR A 363 232.082 250.319 172.047 1.00102.94 C ATOM 851 C THR A 363 230.640 250.815 172.139 1.00102.94 C ATOM 852 O THR A 363 230.357 251.983 171.879 1.00102.94 O ATOM 853 CB THR A 363 232.465 249.656 173.383 1.00102.94 C ATOM 854 OG1 THR A 363 232.170 250.540 174.472 1.00102.94 O ATOM 855 CG2 THR A 363 233.942 249.292 173.406 1.00102.94 C ATOM 0 H THR A 363 233.410 251.868 172.526 1.00102.94 H new ATOM 0 HA THR A 363 232.164 249.584 171.246 1.00102.94 H new ATOM 0 HB THR A 363 231.881 248.742 173.488 1.00102.94 H new ATOM 0 HG1 THR A 363 232.415 250.110 175.318 1.00102.94 H new ATOM 0 HG21 THR A 363 234.187 248.825 174.360 1.00102.94 H new ATOM 0 HG22 THR A 363 234.158 248.596 172.596 1.00102.94 H new ATOM 0 HG23 THR A 363 234.541 250.194 173.279 1.00102.94 H new ATOM 863 N ARG A 364 229.733 249.914 172.508 1.00115.19 N ATOM 864 CA ARG A 364 228.319 250.257 172.643 1.00115.19 C ATOM 865 C ARG A 364 228.125 251.491 173.519 1.00115.19 C ATOM 866 O ARG A 364 227.168 252.247 173.349 1.00115.19 O ATOM 867 CB ARG A 364 227.550 249.086 173.256 1.00115.19 C ATOM 868 CG ARG A 364 226.094 249.014 172.823 1.00115.19 C ATOM 869 CD ARG A 364 225.682 247.587 172.485 1.00115.19 C ATOM 870 NE ARG A 364 225.656 246.729 173.668 1.00115.19 N ATOM 871 CZ ARG A 364 225.376 245.431 173.635 1.00115.19 C ATOM 872 NH1 ARG A 364 225.090 244.839 172.485 1.00115.19 N ATOM 873 NH2 ARG A 364 225.379 244.724 174.757 1.00115.19 N ATOM 0 H ARG A 364 229.952 248.940 172.719 1.00115.19 H new ATOM 0 HA ARG A 364 227.937 250.474 171.645 1.00115.19 H new ATOM 0 HB2 ARG A 364 228.047 248.155 172.984 1.00115.19 H new ATOM 0 HB3 ARG A 364 227.593 249.164 174.342 1.00115.19 H new ATOM 0 HG2 ARG A 364 225.457 249.399 173.619 1.00115.19 H new ATOM 0 HG3 ARG A 364 225.940 249.654 171.954 1.00115.19 H new ATOM 0 HD2 ARG A 364 224.696 247.595 172.021 1.00115.19 H new ATOM 0 HD3 ARG A 364 226.375 247.173 171.753 1.00115.19 H new ATOM 0 HE ARG A 364 225.865 247.152 174.572 1.00115.19 H new ATOM 0 HH11 ARG A 364 225.084 245.380 171.620 1.00115.19 H new ATOM 0 HH12 ARG A 364 224.876 243.842 172.464 1.00115.19 H new ATOM 0 HH21 ARG A 364 225.596 245.177 175.645 1.00115.19 H new ATOM 0 HH22 ARG A 364 225.164 243.727 174.732 1.00115.19 H new ATOM 887 N GLU A 365 229.022 251.663 174.477 1.00 84.69 N ATOM 888 CA GLU A 365 228.955 252.782 175.409 1.00 84.69 C ATOM 889 C GLU A 365 228.847 254.135 174.705 1.00 84.69 C ATOM 890 O GLU A 365 228.209 255.051 175.225 1.00 84.69 O ATOM 891 CB GLU A 365 230.172 252.768 176.330 1.00 84.69 C ATOM 892 CG GLU A 365 230.115 253.828 177.418 1.00 84.69 C ATOM 893 CD GLU A 365 231.377 253.871 178.253 1.00 84.69 C ATOM 894 OE1 GLU A 365 232.309 253.094 177.961 1.00 84.69 O ATOM 895 OE2 GLU A 365 231.434 254.684 179.199 1.00 84.69 O ATOM 0 H GLU A 365 229.812 251.037 174.632 1.00 84.69 H new ATOM 0 HA GLU A 365 228.044 252.655 175.994 1.00 84.69 H new ATOM 0 HB2 GLU A 365 230.257 251.785 176.794 1.00 84.69 H new ATOM 0 HB3 GLU A 365 231.072 252.917 175.734 1.00 84.69 H new ATOM 0 HG2 GLU A 365 229.952 254.804 176.961 1.00 84.69 H new ATOM 0 HG3 GLU A 365 229.261 253.633 178.066 1.00 84.69 H new ATOM 902 N ARG A 366 229.474 254.278 173.540 1.00 85.77 N ATOM 903 CA ARG A 366 229.411 255.548 172.820 1.00 85.77 C ATOM 904 C ARG A 366 227.982 255.880 172.403 1.00 85.77 C ATOM 905 O ARG A 366 227.476 256.956 172.724 1.00 85.77 O ATOM 906 CB ARG A 366 230.339 255.558 171.605 1.00 85.77 C ATOM 907 CG ARG A 366 230.612 256.965 171.089 1.00 85.77 C ATOM 908 CD ARG A 366 229.727 257.316 169.904 1.00 85.77 C ATOM 909 NE ARG A 366 230.505 257.817 168.772 1.00 85.77 N ATOM 910 CZ ARG A 366 231.079 259.018 168.737 1.00 85.77 C ATOM 911 NH1 ARG A 366 230.964 259.847 169.768 1.00 85.77 N ATOM 912 NH2 ARG A 366 231.768 259.394 167.667 1.00 85.77 N ATOM 0 H ARG A 366 230.020 253.548 173.082 1.00 85.77 H new ATOM 0 HA ARG A 366 229.754 256.320 173.509 1.00 85.77 H new ATOM 0 HB2 ARG A 366 231.283 255.082 171.870 1.00 85.77 H new ATOM 0 HB3 ARG A 366 229.894 254.962 170.808 1.00 85.77 H new ATOM 0 HG2 ARG A 366 230.447 257.684 171.891 1.00 85.77 H new ATOM 0 HG3 ARG A 366 231.659 257.048 170.797 1.00 85.77 H new ATOM 0 HD2 ARG A 366 229.165 256.434 169.596 1.00 85.77 H new ATOM 0 HD3 ARG A 366 228.998 258.069 170.205 1.00 85.77 H new ATOM 0 HE ARG A 366 230.615 257.210 167.960 1.00 85.77 H new ATOM 0 HH11 ARG A 366 230.434 259.565 170.592 1.00 85.77 H new ATOM 0 HH12 ARG A 366 231.406 260.766 169.735 1.00 85.77 H new ATOM 0 HH21 ARG A 366 231.858 258.763 166.871 1.00 85.77 H new ATOM 0 HH22 ARG A 366 232.207 260.314 167.641 1.00 85.77 H new ATOM 926 N ILE A 367 227.312 254.959 171.713 1.00 97.87 N ATOM 927 CA ILE A 367 225.926 255.199 171.334 1.00 97.87 C ATOM 928 C ILE A 367 225.071 255.223 172.593 1.00 97.87 C ATOM 929 O ILE A 367 224.098 255.972 172.694 1.00 97.87 O ATOM 930 CB ILE A 367 225.375 254.151 170.344 1.00 97.87 C ATOM 931 CG1 ILE A 367 226.383 253.894 169.219 1.00 97.87 C ATOM 932 CG2 ILE A 367 224.052 254.634 169.756 1.00 97.87 C ATOM 933 CD1 ILE A 367 227.237 252.663 169.430 1.00 97.87 C ATOM 0 H ILE A 367 227.696 254.063 171.413 1.00 97.87 H new ATOM 0 HA ILE A 367 225.888 256.158 170.818 1.00 97.87 H new ATOM 0 HB ILE A 367 225.208 253.218 170.883 1.00 97.87 H new ATOM 0 HG12 ILE A 367 225.844 253.793 168.277 1.00 97.87 H new ATOM 0 HG13 ILE A 367 227.034 254.763 169.122 1.00 97.87 H new ATOM 0 HG21 ILE A 367 223.670 253.889 169.058 1.00 97.87 H new ATOM 0 HG22 ILE A 367 223.330 254.783 170.559 1.00 97.87 H new ATOM 0 HG23 ILE A 367 224.210 255.576 169.230 1.00 97.87 H new ATOM 0 HD11 ILE A 367 227.925 252.549 168.592 1.00 97.87 H new ATOM 0 HD12 ILE A 367 227.805 252.769 170.354 1.00 97.87 H new ATOM 0 HD13 ILE A 367 226.597 251.783 169.496 1.00 97.87 H new ATOM 945 N ARG A 368 225.485 254.424 173.571 1.00107.78 N ATOM 946 CA ARG A 368 224.816 254.375 174.862 1.00107.78 C ATOM 947 C ARG A 368 224.821 255.775 175.458 1.00107.78 C ATOM 948 O ARG A 368 223.824 256.240 176.014 1.00107.78 O ATOM 949 CB ARG A 368 225.553 253.402 175.795 1.00107.78 C ATOM 950 CG ARG A 368 224.657 252.680 176.794 1.00107.78 C ATOM 951 CD ARG A 368 224.796 251.170 176.669 1.00107.78 C ATOM 952 NE ARG A 368 224.816 250.505 177.970 1.00107.78 N ATOM 953 CZ ARG A 368 225.236 249.258 178.157 1.00107.78 C ATOM 954 NH1 ARG A 368 225.674 248.542 177.133 1.00107.78 N ATOM 955 NH2 ARG A 368 225.222 248.728 179.374 1.00107.78 N ATOM 0 H ARG A 368 226.287 253.798 173.491 1.00107.78 H new ATOM 0 HA ARG A 368 223.790 254.026 174.741 1.00107.78 H new ATOM 0 HB2 ARG A 368 226.071 252.659 175.188 1.00107.78 H new ATOM 0 HB3 ARG A 368 226.316 253.953 176.344 1.00107.78 H new ATOM 0 HG2 ARG A 368 224.915 252.989 177.807 1.00107.78 H new ATOM 0 HG3 ARG A 368 223.619 252.967 176.628 1.00107.78 H new ATOM 0 HD2 ARG A 368 223.969 250.779 176.076 1.00107.78 H new ATOM 0 HD3 ARG A 368 225.714 250.935 176.129 1.00107.78 H new ATOM 0 HE ARG A 368 224.489 251.028 178.782 1.00107.78 H new ATOM 0 HH11 ARG A 368 225.690 248.947 176.197 1.00107.78 H new ATOM 0 HH12 ARG A 368 225.996 247.585 177.280 1.00107.78 H new ATOM 0 HH21 ARG A 368 224.889 249.278 180.166 1.00107.78 H new ATOM 0 HH22 ARG A 368 225.544 247.771 179.517 1.00107.78 H new ATOM 969 N GLN A 369 225.959 256.447 175.311 1.00 25.22 N ATOM 970 CA GLN A 369 226.127 257.815 175.783 1.00 25.22 C ATOM 971 C GLN A 369 225.246 258.781 174.989 1.00 25.22 C ATOM 972 O GLN A 369 224.569 259.637 175.563 1.00 25.22 O ATOM 973 CB GLN A 369 227.595 258.235 175.655 1.00 25.22 C ATOM 974 CG GLN A 369 228.496 257.670 176.742 1.00 25.22 C ATOM 975 CD GLN A 369 229.966 257.964 176.497 1.00 25.22 C ATOM 976 OE1 GLN A 369 230.367 258.302 175.382 1.00 25.22 O ATOM 977 NE2 GLN A 369 230.777 257.829 177.540 1.00 25.22 N ATOM 0 H GLN A 369 226.788 256.058 174.862 1.00 25.22 H new ATOM 0 HA GLN A 369 225.826 257.853 176.830 1.00 25.22 H new ATOM 0 HB2 GLN A 369 227.971 257.915 174.683 1.00 25.22 H new ATOM 0 HB3 GLN A 369 227.654 259.323 175.677 1.00 25.22 H new ATOM 0 HG2 GLN A 369 228.202 258.087 177.705 1.00 25.22 H new ATOM 0 HG3 GLN A 369 228.351 256.591 176.804 1.00 25.22 H new ATOM 0 HE21 GLN A 369 230.401 257.547 178.445 1.00 25.22 H new ATOM 0 HE22 GLN A 369 231.776 258.007 177.436 1.00 25.22 H new ATOM 986 N ILE A 370 225.265 258.642 173.664 1.00 81.86 N ATOM 987 CA ILE A 370 224.459 259.495 172.792 1.00 81.86 C ATOM 988 C ILE A 370 222.974 259.377 173.128 1.00 81.86 C ATOM 989 O ILE A 370 222.278 260.387 173.249 1.00 81.86 O ATOM 990 CB ILE A 370 224.689 259.159 171.303 1.00 81.86 C ATOM 991 CG1 ILE A 370 226.159 259.373 170.942 1.00 81.86 C ATOM 992 CG2 ILE A 370 223.797 260.015 170.412 1.00 81.86 C ATOM 993 CD1 ILE A 370 226.473 259.089 169.490 1.00 81.86 C ATOM 0 H ILE A 370 225.828 257.949 173.172 1.00 81.86 H new ATOM 0 HA ILE A 370 224.777 260.523 172.965 1.00 81.86 H new ATOM 0 HB ILE A 370 224.430 258.113 171.139 1.00 81.86 H new ATOM 0 HG12 ILE A 370 226.434 260.403 171.170 1.00 81.86 H new ATOM 0 HG13 ILE A 370 226.776 258.731 171.571 1.00 81.86 H new ATOM 0 HG21 ILE A 370 223.976 259.761 169.367 1.00 81.86 H new ATOM 0 HG22 ILE A 370 222.751 259.828 170.657 1.00 81.86 H new ATOM 0 HG23 ILE A 370 224.025 261.069 170.574 1.00 81.86 H new ATOM 0 HD11 ILE A 370 227.533 259.262 169.307 1.00 81.86 H new ATOM 0 HD12 ILE A 370 226.230 258.051 169.261 1.00 81.86 H new ATOM 0 HD13 ILE A 370 225.883 259.749 168.854 1.00 81.86 H new ATOM 1005 N GLU A 371 222.490 258.145 173.294 1.00 46.06 N ATOM 1006 CA GLU A 371 221.086 257.926 173.630 1.00 46.06 C ATOM 1007 C GLU A 371 220.719 258.713 174.884 1.00 46.06 C ATOM 1008 O GLU A 371 219.636 259.295 174.971 1.00 46.06 O ATOM 1009 CB GLU A 371 220.797 256.436 173.844 1.00 46.06 C ATOM 1010 CG GLU A 371 219.330 256.142 174.118 1.00 46.06 C ATOM 1011 CD GLU A 371 219.073 254.678 174.416 1.00 46.06 C ATOM 1012 OE1 GLU A 371 220.047 253.899 174.436 1.00 46.06 O ATOM 1013 OE2 GLU A 371 217.898 254.315 174.633 1.00 46.06 O ATOM 0 H GLU A 371 223.044 257.293 173.202 1.00 46.06 H new ATOM 0 HA GLU A 371 220.478 258.275 172.795 1.00 46.06 H new ATOM 0 HB2 GLU A 371 221.113 255.881 172.961 1.00 46.06 H new ATOM 0 HB3 GLU A 371 221.396 256.073 174.680 1.00 46.06 H new ATOM 0 HG2 GLU A 371 218.994 256.745 174.962 1.00 46.06 H new ATOM 0 HG3 GLU A 371 218.736 256.443 173.255 1.00 46.06 H new ATOM 1020 N VAL A 372 221.635 258.738 175.851 1.00 89.19 N ATOM 1021 CA VAL A 372 221.417 259.465 177.095 1.00 89.19 C ATOM 1022 C VAL A 372 221.345 260.969 176.844 1.00 89.19 C ATOM 1023 O VAL A 372 220.312 261.600 177.080 1.00 89.19 O ATOM 1024 CB VAL A 372 222.533 259.178 178.118 1.00 89.19 C ATOM 1025 CG1 VAL A 372 222.231 259.854 179.448 1.00 89.19 C ATOM 1026 CG2 VAL A 372 222.713 257.679 178.307 1.00 89.19 C ATOM 0 H VAL A 372 222.535 258.262 175.794 1.00 89.19 H new ATOM 0 HA VAL A 372 220.467 259.120 177.502 1.00 89.19 H new ATOM 0 HB VAL A 372 223.465 259.589 177.731 1.00 89.19 H new ATOM 0 HG11 VAL A 372 223.031 259.638 180.156 1.00 89.19 H new ATOM 0 HG12 VAL A 372 222.158 260.931 179.300 1.00 89.19 H new ATOM 0 HG13 VAL A 372 221.287 259.477 179.842 1.00 89.19 H new ATOM 0 HG21 VAL A 372 223.505 257.496 179.033 1.00 89.19 H new ATOM 0 HG22 VAL A 372 221.782 257.243 178.669 1.00 89.19 H new ATOM 0 HG23 VAL A 372 222.981 257.222 177.355 1.00 89.19 H new ATOM 1036 N LYS A 373 222.445 261.541 176.359 1.00133.25 N ATOM 1037 CA LYS A 373 222.500 262.971 176.068 1.00133.25 C ATOM 1038 C LYS A 373 221.405 263.374 175.084 1.00133.25 C ATOM 1039 O LYS A 373 220.845 264.468 175.179 1.00133.25 O ATOM 1040 CB LYS A 373 223.868 263.356 175.509 1.00133.25 C ATOM 1041 CG LYS A 373 224.066 264.857 175.386 1.00133.25 C ATOM 1042 CD LYS A 373 224.295 265.504 176.739 1.00133.25 C ATOM 1043 CE LYS A 373 224.557 266.994 176.601 1.00133.25 C ATOM 1044 NZ LYS A 373 224.722 267.653 177.925 1.00133.25 N ATOM 0 H LYS A 373 223.309 261.037 176.160 1.00133.25 H new ATOM 0 HA LYS A 373 222.338 263.505 177.004 1.00133.25 H new ATOM 0 HB2 LYS A 373 224.645 262.946 176.154 1.00133.25 H new ATOM 0 HB3 LYS A 373 223.994 262.898 174.528 1.00133.25 H new ATOM 0 HG2 LYS A 373 224.917 265.060 174.736 1.00133.25 H new ATOM 0 HG3 LYS A 373 223.191 265.302 174.913 1.00133.25 H new ATOM 0 HD2 LYS A 373 223.424 265.343 177.374 1.00133.25 H new ATOM 0 HD3 LYS A 373 225.142 265.028 177.234 1.00133.25 H new ATOM 0 HE2 LYS A 373 225.455 267.151 176.003 1.00133.25 H new ATOM 0 HE3 LYS A 373 223.731 267.460 176.064 1.00133.25 H new ATOM 0 HZ1 LYS A 373 224.899 268.669 177.788 1.00133.25 H new ATOM 0 HZ2 LYS A 373 223.856 267.525 178.487 1.00133.25 H new ATOM 0 HZ3 LYS A 373 225.526 267.226 178.427 1.00133.25 H new ATOM 1058 N ALA A 374 221.091 262.486 174.147 1.00 37.13 N ATOM 1059 CA ALA A 374 220.052 262.767 173.171 1.00 37.13 C ATOM 1060 C ALA A 374 218.736 263.017 173.891 1.00 37.13 C ATOM 1061 O ALA A 374 217.977 263.923 173.540 1.00 37.13 O ATOM 1062 CB ALA A 374 219.916 261.614 172.185 1.00 37.13 C ATOM 0 H ALA A 374 221.538 261.575 174.045 1.00 37.13 H new ATOM 0 HA ALA A 374 220.324 263.659 172.606 1.00 37.13 H new ATOM 0 HB1 ALA A 374 219.133 261.844 171.462 1.00 37.13 H new ATOM 0 HB2 ALA A 374 220.861 261.469 171.662 1.00 37.13 H new ATOM 0 HB3 ALA A 374 219.656 260.703 172.724 1.00 37.13 H new ATOM 1068 N LEU A 375 218.486 262.212 174.919 1.00 42.35 N ATOM 1069 CA LEU A 375 217.281 262.338 175.727 1.00 42.35 C ATOM 1070 C LEU A 375 217.233 263.698 176.416 1.00 42.35 C ATOM 1071 O LEU A 375 216.188 264.348 176.461 1.00 42.35 O ATOM 1072 CB LEU A 375 217.224 261.207 176.755 1.00 42.35 C ATOM 1073 CG LEU A 375 217.036 259.812 176.158 1.00 42.35 C ATOM 1074 CD1 LEU A 375 217.730 258.764 177.012 1.00 42.35 C ATOM 1075 CD2 LEU A 375 215.557 259.492 176.014 1.00 42.35 C ATOM 0 H LEU A 375 219.109 261.460 175.213 1.00 42.35 H new ATOM 0 HA LEU A 375 216.411 262.263 175.075 1.00 42.35 H new ATOM 0 HB2 LEU A 375 218.145 261.217 177.338 1.00 42.35 H new ATOM 0 HB3 LEU A 375 216.406 261.404 177.448 1.00 42.35 H new ATOM 0 HG LEU A 375 217.490 259.798 175.167 1.00 42.35 H new ATOM 0 HD11 LEU A 375 217.584 257.779 176.569 1.00 42.35 H new ATOM 0 HD12 LEU A 375 218.796 258.984 177.063 1.00 42.35 H new ATOM 0 HD13 LEU A 375 217.308 258.776 178.017 1.00 42.35 H new ATOM 0 HD21 LEU A 375 215.440 258.496 175.588 1.00 42.35 H new ATOM 0 HD22 LEU A 375 215.080 259.526 176.994 1.00 42.35 H new ATOM 0 HD23 LEU A 375 215.088 260.225 175.357 1.00 42.35 H new ATOM 1087 N ARG A 376 218.375 264.128 176.940 1.00124.40 N ATOM 1088 CA ARG A 376 218.466 265.422 177.605 1.00124.40 C ATOM 1089 C ARG A 376 218.181 266.547 176.619 1.00124.40 C ATOM 1090 O ARG A 376 217.460 267.498 176.927 1.00124.40 O ATOM 1091 CB ARG A 376 219.862 265.620 178.210 1.00124.40 C ATOM 1092 CG ARG A 376 219.979 266.847 179.100 1.00124.40 C ATOM 1093 CD ARG A 376 219.307 266.628 180.447 1.00124.40 C ATOM 1094 NE ARG A 376 219.380 267.815 181.291 1.00124.40 N ATOM 1095 CZ ARG A 376 218.671 268.919 181.080 1.00124.40 C ATOM 1096 NH1 ARG A 376 217.840 268.992 180.048 1.00124.40 N ATOM 1097 NH2 ARG A 376 218.794 269.953 181.900 1.00124.40 N ATOM 0 H ARG A 376 219.248 263.601 176.917 1.00124.40 H new ATOM 0 HA ARG A 376 217.723 265.444 178.403 1.00124.40 H new ATOM 0 HB2 ARG A 376 220.124 264.736 178.791 1.00124.40 H new ATOM 0 HB3 ARG A 376 220.590 265.698 177.402 1.00124.40 H new ATOM 0 HG2 ARG A 376 221.031 267.088 179.253 1.00124.40 H new ATOM 0 HG3 ARG A 376 219.525 267.703 178.601 1.00124.40 H new ATOM 0 HD2 ARG A 376 218.263 266.357 180.292 1.00124.40 H new ATOM 0 HD3 ARG A 376 219.782 265.790 180.957 1.00124.40 H new ATOM 0 HE ARG A 376 220.013 267.797 182.091 1.00124.40 H new ATOM 0 HH11 ARG A 376 217.744 268.199 179.414 1.00124.40 H new ATOM 0 HH12 ARG A 376 217.297 269.841 179.889 1.00124.40 H new ATOM 0 HH21 ARG A 376 219.433 269.902 182.693 1.00124.40 H new ATOM 0 HH22 ARG A 376 218.250 270.800 181.738 1.00124.40 H new ATOM 1111 N LYS A 377 218.769 266.437 175.433 1.00 64.37 N ATOM 1112 CA LYS A 377 218.601 267.435 174.387 1.00 64.37 C ATOM 1113 C LYS A 377 217.203 267.395 173.767 1.00 64.37 C ATOM 1114 O LYS A 377 216.719 268.406 173.257 1.00 64.37 O ATOM 1115 CB LYS A 377 219.656 267.216 173.304 1.00 64.37 C ATOM 1116 CG LYS A 377 221.081 267.401 173.802 1.00 64.37 C ATOM 1117 CD LYS A 377 222.092 267.273 172.672 1.00 64.37 C ATOM 1118 CE LYS A 377 223.517 267.305 173.199 1.00 64.37 C ATOM 1119 NZ LYS A 377 224.445 267.991 172.258 1.00 64.37 N ATOM 0 H LYS A 377 219.372 265.657 175.172 1.00 64.37 H new ATOM 0 HA LYS A 377 218.725 268.418 174.842 1.00 64.37 H new ATOM 0 HB2 LYS A 377 219.548 266.209 172.900 1.00 64.37 H new ATOM 0 HB3 LYS A 377 219.473 267.910 172.483 1.00 64.37 H new ATOM 0 HG2 LYS A 377 221.179 268.381 174.269 1.00 64.37 H new ATOM 0 HG3 LYS A 377 221.298 266.659 174.570 1.00 64.37 H new ATOM 0 HD2 LYS A 377 221.922 266.341 172.133 1.00 64.37 H new ATOM 0 HD3 LYS A 377 221.948 268.084 171.959 1.00 64.37 H new ATOM 0 HE2 LYS A 377 223.536 267.814 174.162 1.00 64.37 H new ATOM 0 HE3 LYS A 377 223.863 266.286 173.371 1.00 64.37 H new ATOM 0 HZ1 LYS A 377 225.406 267.991 172.656 1.00 64.37 H new ATOM 0 HZ2 LYS A 377 224.448 267.491 171.346 1.00 64.37 H new ATOM 0 HZ3 LYS A 377 224.131 268.972 172.114 1.00 64.37 H new ATOM 1275 N TYR A 386 212.187 260.160 170.309 1.00268.15 N ATOM 1276 CA TYR A 386 213.291 259.203 170.378 1.00268.15 C ATOM 1277 C TYR A 386 212.847 257.911 171.049 1.00268.15 C ATOM 1278 O TYR A 386 213.156 256.810 170.586 1.00268.15 O ATOM 1279 CB TYR A 386 214.456 259.797 171.170 1.00268.15 C ATOM 1280 CG TYR A 386 215.740 259.011 171.042 1.00268.15 C ATOM 1281 CD1 TYR A 386 215.875 257.755 171.624 1.00268.15 C ATOM 1282 CD2 TYR A 386 216.816 259.521 170.328 1.00268.15 C ATOM 1283 CE1 TYR A 386 217.048 257.034 171.499 1.00268.15 C ATOM 1284 CE2 TYR A 386 217.991 258.807 170.200 1.00268.15 C ATOM 1285 CZ TYR A 386 218.100 257.563 170.784 1.00268.15 C ATOM 1286 OH TYR A 386 219.270 256.850 170.661 1.00268.15 O ATOM 0 HA TYR A 386 213.609 258.986 169.358 1.00268.15 H new ATOM 0 HB2 TYR A 386 214.630 260.819 170.832 1.00268.15 H new ATOM 0 HB3 TYR A 386 214.178 259.853 172.222 1.00268.15 H new ATOM 0 HD1 TYR A 386 215.051 257.336 172.182 1.00268.15 H new ATOM 0 HD2 TYR A 386 216.733 260.493 169.865 1.00268.15 H new ATOM 0 HE1 TYR A 386 217.139 256.061 171.959 1.00268.15 H new ATOM 0 HE2 TYR A 386 218.820 259.221 169.645 1.00268.15 H new ATOM 0 HH TYR A 386 219.911 257.363 170.126 1.00268.15 H new ATOM 1296 N LEU A 387 212.134 258.070 172.153 1.00124.51 N ATOM 1297 CA LEU A 387 211.635 256.949 172.934 1.00124.51 C ATOM 1298 C LEU A 387 210.663 256.091 172.131 1.00124.51 C ATOM 1299 O LEU A 387 210.843 254.878 172.013 1.00124.51 O ATOM 1300 CB LEU A 387 210.951 257.488 174.194 1.00124.51 C ATOM 1301 CG LEU A 387 210.550 256.445 175.230 1.00124.51 C ATOM 1302 CD1 LEU A 387 210.313 257.097 176.580 1.00124.51 C ATOM 1303 CD2 LEU A 387 209.319 255.681 174.772 1.00124.51 C ATOM 0 H LEU A 387 211.884 258.983 172.534 1.00124.51 H new ATOM 0 HA LEU A 387 212.477 256.313 173.208 1.00124.51 H new ATOM 0 HB2 LEU A 387 211.620 258.205 174.669 1.00124.51 H new ATOM 0 HB3 LEU A 387 210.058 258.036 173.893 1.00124.51 H new ATOM 0 HG LEU A 387 211.369 255.733 175.337 1.00124.51 H new ATOM 0 HD11 LEU A 387 210.028 256.336 177.306 1.00124.51 H new ATOM 0 HD12 LEU A 387 211.227 257.590 176.911 1.00124.51 H new ATOM 0 HD13 LEU A 387 209.514 257.833 176.493 1.00124.51 H new ATOM 0 HD21 LEU A 387 209.049 254.941 175.525 1.00124.51 H new ATOM 0 HD22 LEU A 387 208.491 256.376 174.632 1.00124.51 H new ATOM 0 HD23 LEU A 387 209.533 255.177 173.829 1.00124.51 H new ATOM 1315 N LYS A 388 209.626 256.723 171.594 1.00131.58 N ATOM 1316 CA LYS A 388 208.620 256.016 170.810 1.00131.58 C ATOM 1317 C LYS A 388 209.221 255.411 169.541 1.00131.58 C ATOM 1318 O LYS A 388 208.922 254.270 169.187 1.00131.58 O ATOM 1319 CB LYS A 388 207.474 256.962 170.447 1.00131.58 C ATOM 1320 CG LYS A 388 207.933 258.274 169.831 1.00131.58 C ATOM 1321 CD LYS A 388 206.751 259.125 169.399 1.00131.58 C ATOM 1322 CE LYS A 388 206.118 259.839 170.582 1.00131.58 C ATOM 1323 NZ LYS A 388 204.737 260.306 170.276 1.00131.58 N ATOM 0 H LYS A 388 209.460 257.725 171.687 1.00131.58 H new ATOM 0 HA LYS A 388 208.235 255.200 171.421 1.00131.58 H new ATOM 0 HB2 LYS A 388 206.806 256.458 169.749 1.00131.58 H new ATOM 0 HB3 LYS A 388 206.894 257.176 171.345 1.00131.58 H new ATOM 0 HG2 LYS A 388 208.536 258.825 170.552 1.00131.58 H new ATOM 0 HG3 LYS A 388 208.571 258.071 168.971 1.00131.58 H new ATOM 0 HD2 LYS A 388 207.079 259.859 168.663 1.00131.58 H new ATOM 0 HD3 LYS A 388 206.007 258.495 168.912 1.00131.58 H new ATOM 0 HE2 LYS A 388 206.092 259.167 171.440 1.00131.58 H new ATOM 0 HE3 LYS A 388 206.735 260.692 170.864 1.00131.58 H new ATOM 0 HZ1 LYS A 388 204.341 260.788 171.108 1.00131.58 H new ATOM 0 HZ2 LYS A 388 204.764 260.967 169.474 1.00131.58 H new ATOM 0 HZ3 LYS A 388 204.141 259.490 170.032 1.00131.58 H new ATOM 1337 N SER A 389 210.069 256.177 168.861 1.00 82.77 N ATOM 1338 CA SER A 389 210.705 255.705 167.637 1.00 82.77 C ATOM 1339 C SER A 389 211.615 254.518 167.927 1.00 82.77 C ATOM 1340 O SER A 389 211.612 253.529 167.194 1.00 82.77 O ATOM 1341 CB SER A 389 211.500 256.830 166.975 1.00 82.77 C ATOM 1342 OG SER A 389 211.972 256.435 165.699 1.00 82.77 O ATOM 0 H SER A 389 210.330 257.124 169.136 1.00 82.77 H new ATOM 0 HA SER A 389 209.922 255.382 166.951 1.00 82.77 H new ATOM 0 HB2 SER A 389 210.871 257.715 166.876 1.00 82.77 H new ATOM 0 HB3 SER A 389 212.343 257.107 167.609 1.00 82.77 H new ATOM 0 HG SER A 389 211.233 256.456 165.056 1.00 82.77 H new ATOM 1348 N LEU A 390 212.384 254.614 169.009 1.00 97.55 N ATOM 1349 CA LEU A 390 213.288 253.537 169.394 1.00 97.55 C ATOM 1350 C LEU A 390 212.490 252.323 169.851 1.00 97.55 C ATOM 1351 O LEU A 390 212.860 251.180 169.581 1.00 97.55 O ATOM 1352 CB LEU A 390 214.225 253.997 170.513 1.00 97.55 C ATOM 1353 CG LEU A 390 215.278 252.971 170.938 1.00 97.55 C ATOM 1354 CD1 LEU A 390 216.372 252.861 169.888 1.00 97.55 C ATOM 1355 CD2 LEU A 390 215.871 253.346 172.289 1.00 97.55 C ATOM 0 H LEU A 390 212.398 255.422 169.631 1.00 97.55 H new ATOM 0 HA LEU A 390 213.889 253.263 168.527 1.00 97.55 H new ATOM 0 HB2 LEU A 390 214.734 254.905 170.190 1.00 97.55 H new ATOM 0 HB3 LEU A 390 213.625 254.261 171.384 1.00 97.55 H new ATOM 0 HG LEU A 390 214.793 251.999 171.031 1.00 97.55 H new ATOM 0 HD11 LEU A 390 217.111 252.127 170.208 1.00 97.55 H new ATOM 0 HD12 LEU A 390 215.936 252.547 168.940 1.00 97.55 H new ATOM 0 HD13 LEU A 390 216.854 253.830 169.762 1.00 97.55 H new ATOM 0 HD21 LEU A 390 216.618 252.606 172.576 1.00 97.55 H new ATOM 0 HD22 LEU A 390 216.340 254.328 172.221 1.00 97.55 H new ATOM 0 HD23 LEU A 390 215.080 253.373 173.039 1.00 97.55 H new