USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 599 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 379 TYR OH : rot -134:sc= 0.0314 USER MOD Set 1.2: A 395 GLN : amide:sc= 0.0299 X(o=0.061,f=-0.15) USER MOD Set 2.1: A 374 TYR OH : rot -103:sc= -0.0891 USER MOD Set 2.2: A 384 GLN :FLIP amide:sc= 0.614 F(o=-0.98,f=0.52) USER MOD Set 3.1: A 365 THR OG1 : rot -48:sc= 0.947 USER MOD Set 3.2: A 426 ASN : amide:sc= 0.928 X(o=0.25,f=-0.12) USER MOD Set 3.3: A 443 MET CE :methyl 174:sc= -1.63 (180deg=-1.86!) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN :FLIP amide:sc= -4.41! C(o=-5.9!,f=-4.4!) USER MOD Single : A 386 SER OG : rot -94:sc= 1.29 USER MOD Single : A 391 ASN :FLIP amide:sc= -0.597 F(o=-4.9!,f=-0.6) USER MOD Single : A 394 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 398 ASN : amide:sc= -1.38 K(o=-1.4,f=-6.8!) USER MOD Single : A 401 LYS NZ :NH3+ -155:sc= 1.21 (180deg=-0.112) USER MOD Single : A 402 TYR OH : rot 50:sc= -1.42! USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 406 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.36) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot 180:sc= -0.309 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 40:sc= 0.226 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN :FLIP amide:sc= -0.192 F(o=-1.5,f=-0.19) USER MOD Single : A 436 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.06) USER MOD Single : A 439 TYR OH : rot -141:sc= 1.68 USER MOD Single : A 442 LYS NZ :NH3+ 151:sc= 1.14 (180deg=0.529) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 SER OG : rot 180:sc= -0.078 USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 365 12.896 18.387 -2.731 1.00 53.13 N ATOM 139 CA THR A 365 13.767 19.270 -3.439 1.00 13.34 C ATOM 140 C THR A 365 13.664 19.113 -4.960 1.00 21.41 C ATOM 141 O THR A 365 13.607 17.989 -5.484 1.00 62.23 O ATOM 142 CB THR A 365 15.199 19.012 -3.005 1.00 40.23 C ATOM 143 OG1 THR A 365 15.196 18.720 -1.606 1.00 61.21 O ATOM 144 CG2 THR A 365 16.007 20.264 -3.195 1.00 72.53 C ATOM 0 HA THR A 365 13.463 20.289 -3.198 1.00 13.34 H new ATOM 0 HB THR A 365 15.617 18.191 -3.587 1.00 40.23 H new ATOM 0 HG1 THR A 365 14.660 19.390 -1.133 1.00 61.21 H new ATOM 0 HG21 THR A 365 17.036 20.083 -2.885 1.00 72.53 H new ATOM 0 HG22 THR A 365 15.990 20.552 -4.246 1.00 72.53 H new ATOM 0 HG23 THR A 365 15.582 21.066 -2.592 1.00 72.53 H new ATOM 152 N LYS A 366 13.626 20.240 -5.648 1.00 41.04 N ATOM 153 CA LYS A 366 13.635 20.293 -7.086 1.00 13.34 C ATOM 154 C LYS A 366 14.412 21.530 -7.478 1.00 10.42 C ATOM 155 O LYS A 366 14.281 22.568 -6.813 1.00 15.12 O ATOM 156 CB LYS A 366 12.208 20.316 -7.667 1.00 63.41 C ATOM 157 CG LYS A 366 11.363 21.494 -7.222 1.00 13.22 C ATOM 158 CD LYS A 366 9.982 21.436 -7.828 1.00 71.13 C ATOM 159 CE LYS A 366 9.135 22.610 -7.379 1.00 1.44 C ATOM 160 NZ LYS A 366 7.784 22.570 -7.975 1.00 73.13 N ATOM 0 H LYS A 366 13.587 21.159 -5.207 1.00 41.04 H new ATOM 0 HA LYS A 366 14.105 19.398 -7.494 1.00 13.34 H new ATOM 0 HB2 LYS A 366 12.273 20.323 -8.755 1.00 63.41 H new ATOM 0 HB3 LYS A 366 11.700 19.394 -7.384 1.00 63.41 H new ATOM 0 HG2 LYS A 366 11.286 21.499 -6.135 1.00 13.22 H new ATOM 0 HG3 LYS A 366 11.851 22.425 -7.511 1.00 13.22 H new ATOM 0 HD2 LYS A 366 10.059 21.435 -8.915 1.00 71.13 H new ATOM 0 HD3 LYS A 366 9.496 20.503 -7.542 1.00 71.13 H new ATOM 0 HE2 LYS A 366 9.053 22.605 -6.292 1.00 1.44 H new ATOM 0 HE3 LYS A 366 9.628 23.542 -7.657 1.00 1.44 H new ATOM 0 HZ1 LYS A 366 7.234 23.389 -7.645 1.00 73.13 H new ATOM 0 HZ2 LYS A 366 7.861 22.600 -9.012 1.00 73.13 H new ATOM 0 HZ3 LYS A 366 7.304 21.693 -7.689 1.00 73.13 H new ATOM 174 N ARG A 367 15.232 21.443 -8.496 1.00 72.12 N ATOM 175 CA ARG A 367 16.038 22.581 -8.878 1.00 61.03 C ATOM 176 C ARG A 367 16.580 22.372 -10.273 1.00 2.11 C ATOM 177 O ARG A 367 16.813 21.243 -10.678 1.00 32.33 O ATOM 178 CB ARG A 367 17.164 22.741 -7.870 1.00 41.42 C ATOM 179 CG ARG A 367 17.899 24.059 -7.923 1.00 43.01 C ATOM 180 CD ARG A 367 18.820 24.170 -6.737 1.00 71.23 C ATOM 181 NE ARG A 367 19.496 25.473 -6.653 1.00 25.30 N ATOM 182 CZ ARG A 367 20.115 25.938 -5.551 1.00 53.22 C ATOM 183 NH1 ARG A 367 20.220 25.170 -4.472 1.00 23.22 N ATOM 184 NH2 ARG A 367 20.646 27.153 -5.545 1.00 71.11 N ATOM 0 H ARG A 367 15.360 20.609 -9.070 1.00 72.12 H new ATOM 0 HA ARG A 367 15.437 23.490 -8.883 1.00 61.03 H new ATOM 0 HB2 ARG A 367 16.753 22.614 -6.869 1.00 41.42 H new ATOM 0 HB3 ARG A 367 17.883 21.937 -8.024 1.00 41.42 H new ATOM 0 HG2 ARG A 367 18.470 24.132 -8.848 1.00 43.01 H new ATOM 0 HG3 ARG A 367 17.187 24.884 -7.922 1.00 43.01 H new ATOM 0 HD2 ARG A 367 18.249 24.004 -5.824 1.00 71.23 H new ATOM 0 HD3 ARG A 367 19.570 23.381 -6.792 1.00 71.23 H new ATOM 0 HE ARG A 367 19.496 26.064 -7.484 1.00 25.30 H new ATOM 0 HH11 ARG A 367 19.832 24.227 -4.478 1.00 23.22 H new ATOM 0 HH12 ARG A 367 20.689 25.523 -3.638 1.00 23.22 H new ATOM 0 HH21 ARG A 367 20.587 27.740 -6.377 1.00 71.11 H new ATOM 0 HH22 ARG A 367 21.114 27.501 -4.708 1.00 71.11 H new ATOM 198 N GLU A 368 16.781 23.436 -10.991 1.00 72.42 N ATOM 199 CA GLU A 368 17.219 23.350 -12.354 1.00 14.31 C ATOM 200 C GLU A 368 18.737 23.411 -12.487 1.00 22.24 C ATOM 201 O GLU A 368 19.373 24.417 -12.163 1.00 34.30 O ATOM 202 CB GLU A 368 16.530 24.421 -13.196 1.00 53.31 C ATOM 203 CG GLU A 368 16.710 25.839 -12.681 1.00 64.33 C ATOM 204 CD GLU A 368 15.992 26.843 -13.520 1.00 14.51 C ATOM 205 OE1 GLU A 368 14.787 27.063 -13.292 1.00 62.33 O ATOM 206 OE2 GLU A 368 16.608 27.418 -14.436 1.00 43.41 O ATOM 0 H GLU A 368 16.646 24.388 -10.650 1.00 72.42 H new ATOM 0 HA GLU A 368 16.927 22.371 -12.735 1.00 14.31 H new ATOM 0 HB2 GLU A 368 16.913 24.367 -14.215 1.00 53.31 H new ATOM 0 HB3 GLU A 368 15.464 24.198 -13.244 1.00 53.31 H new ATOM 0 HG2 GLU A 368 16.346 25.899 -11.655 1.00 64.33 H new ATOM 0 HG3 GLU A 368 17.772 26.082 -12.657 1.00 64.33 H new ATOM 213 N ILE A 369 19.312 22.312 -12.917 1.00 54.41 N ATOM 214 CA ILE A 369 20.727 22.250 -13.195 1.00 10.31 C ATOM 215 C ILE A 369 20.915 21.857 -14.662 1.00 75.51 C ATOM 216 O ILE A 369 20.238 20.966 -15.154 1.00 33.44 O ATOM 217 CB ILE A 369 21.526 21.235 -12.271 1.00 2.14 C ATOM 218 CG1 ILE A 369 21.463 21.592 -10.760 1.00 5.02 C ATOM 219 CG2 ILE A 369 22.980 21.122 -12.710 1.00 12.52 C ATOM 220 CD1 ILE A 369 20.138 21.325 -10.081 1.00 44.04 C ATOM 0 H ILE A 369 18.813 21.438 -13.083 1.00 54.41 H new ATOM 0 HA ILE A 369 21.137 23.237 -12.982 1.00 10.31 H new ATOM 0 HB ILE A 369 21.028 20.273 -12.395 1.00 2.14 H new ATOM 0 HG12 ILE A 369 22.238 21.029 -10.239 1.00 5.02 H new ATOM 0 HG13 ILE A 369 21.704 22.649 -10.644 1.00 5.02 H new ATOM 0 HG21 ILE A 369 23.503 20.421 -12.060 1.00 12.52 H new ATOM 0 HG22 ILE A 369 23.023 20.764 -13.739 1.00 12.52 H new ATOM 0 HG23 ILE A 369 23.456 22.100 -12.646 1.00 12.52 H new ATOM 0 HD11 ILE A 369 20.204 21.609 -9.031 1.00 44.04 H new ATOM 0 HD12 ILE A 369 19.356 21.909 -10.567 1.00 44.04 H new ATOM 0 HD13 ILE A 369 19.898 20.264 -10.156 1.00 44.04 H new ATOM 232 N GLY A 370 21.799 22.552 -15.352 1.00 2.51 N ATOM 233 CA GLY A 370 22.117 22.243 -16.739 1.00 72.21 C ATOM 234 C GLY A 370 20.947 22.381 -17.702 1.00 53.01 C ATOM 235 O GLY A 370 20.940 21.760 -18.761 1.00 24.15 O ATOM 0 H GLY A 370 22.317 23.344 -14.972 1.00 2.51 H new ATOM 0 HA2 GLY A 370 22.922 22.900 -17.069 1.00 72.21 H new ATOM 0 HA3 GLY A 370 22.497 21.223 -16.793 1.00 72.21 H new ATOM 239 N GLY A 371 19.969 23.184 -17.345 1.00 20.24 N ATOM 240 CA GLY A 371 18.844 23.414 -18.232 1.00 15.23 C ATOM 241 C GLY A 371 17.670 22.502 -17.956 1.00 42.55 C ATOM 242 O GLY A 371 16.613 22.643 -18.569 1.00 41.35 O ATOM 0 H GLY A 371 19.927 23.685 -16.457 1.00 20.24 H new ATOM 0 HA2 GLY A 371 18.521 24.451 -18.136 1.00 15.23 H new ATOM 0 HA3 GLY A 371 19.169 23.275 -19.263 1.00 15.23 H new ATOM 246 N TYR A 372 17.854 21.567 -17.061 1.00 21.45 N ATOM 247 CA TYR A 372 16.814 20.628 -16.695 1.00 12.22 C ATOM 248 C TYR A 372 16.563 20.595 -15.196 1.00 12.34 C ATOM 249 O TYR A 372 17.460 20.827 -14.401 1.00 14.43 O ATOM 250 CB TYR A 372 17.031 19.227 -17.317 1.00 43.33 C ATOM 251 CG TYR A 372 18.479 18.856 -17.602 1.00 24.05 C ATOM 252 CD1 TYR A 372 19.330 18.452 -16.606 1.00 4.21 C ATOM 253 CD2 TYR A 372 18.982 18.925 -18.899 1.00 23.32 C ATOM 254 CE1 TYR A 372 20.645 18.123 -16.882 1.00 70.30 C ATOM 255 CE2 TYR A 372 20.293 18.594 -19.178 1.00 73.24 C ATOM 256 CZ TYR A 372 21.119 18.195 -18.160 1.00 65.22 C ATOM 257 OH TYR A 372 22.430 17.859 -18.423 1.00 21.11 O ATOM 0 H TYR A 372 18.732 21.431 -16.560 1.00 21.45 H new ATOM 0 HA TYR A 372 15.889 20.999 -17.137 1.00 12.22 H new ATOM 0 HB2 TYR A 372 16.608 18.480 -16.645 1.00 43.33 H new ATOM 0 HB3 TYR A 372 16.469 19.171 -18.249 1.00 43.33 H new ATOM 0 HD1 TYR A 372 18.968 18.390 -15.590 1.00 4.21 H new ATOM 0 HD2 TYR A 372 18.334 19.244 -19.702 1.00 23.32 H new ATOM 0 HE1 TYR A 372 21.299 17.808 -16.083 1.00 70.30 H new ATOM 0 HE2 TYR A 372 20.665 18.649 -20.191 1.00 73.24 H new ATOM 0 HH TYR A 372 22.608 17.963 -19.381 1.00 21.11 H new ATOM 267 N THR A 373 15.349 20.301 -14.824 1.00 61.44 N ATOM 268 CA THR A 373 14.936 20.376 -13.444 1.00 52.13 C ATOM 269 C THR A 373 15.091 19.041 -12.760 1.00 5.35 C ATOM 270 O THR A 373 14.437 18.069 -13.113 1.00 42.53 O ATOM 271 CB THR A 373 13.472 20.876 -13.329 1.00 10.10 C ATOM 272 OG1 THR A 373 13.357 22.153 -13.990 1.00 2.43 O ATOM 273 CG2 THR A 373 13.055 21.035 -11.868 1.00 70.42 C ATOM 0 H THR A 373 14.615 20.002 -15.466 1.00 61.44 H new ATOM 0 HA THR A 373 15.584 21.095 -12.943 1.00 52.13 H new ATOM 0 HB THR A 373 12.819 20.139 -13.797 1.00 10.10 H new ATOM 0 HG1 THR A 373 12.434 22.474 -13.923 1.00 2.43 H new ATOM 0 HG21 THR A 373 12.024 21.387 -11.820 1.00 70.42 H new ATOM 0 HG22 THR A 373 13.134 20.074 -11.360 1.00 70.42 H new ATOM 0 HG23 THR A 373 13.708 21.758 -11.380 1.00 70.42 H new ATOM 281 N TYR A 374 15.946 19.005 -11.795 1.00 13.14 N ATOM 282 CA TYR A 374 16.206 17.825 -11.056 1.00 53.44 C ATOM 283 C TYR A 374 15.241 17.706 -9.921 1.00 32.02 C ATOM 284 O TYR A 374 15.010 18.668 -9.199 1.00 60.35 O ATOM 285 CB TYR A 374 17.640 17.815 -10.552 1.00 33.13 C ATOM 286 CG TYR A 374 18.655 17.496 -11.609 1.00 25.41 C ATOM 287 CD1 TYR A 374 19.214 18.478 -12.406 1.00 15.32 C ATOM 288 CD2 TYR A 374 19.058 16.189 -11.803 1.00 61.35 C ATOM 289 CE1 TYR A 374 20.148 18.155 -13.366 1.00 14.12 C ATOM 290 CE2 TYR A 374 19.987 15.865 -12.756 1.00 61.12 C ATOM 291 CZ TYR A 374 20.528 16.842 -13.530 1.00 42.43 C ATOM 292 OH TYR A 374 21.452 16.507 -14.477 1.00 72.43 O ATOM 0 H TYR A 374 16.492 19.812 -11.495 1.00 13.14 H new ATOM 0 HA TYR A 374 16.074 16.964 -11.712 1.00 53.44 H new ATOM 0 HB2 TYR A 374 17.871 18.790 -10.124 1.00 33.13 H new ATOM 0 HB3 TYR A 374 17.727 17.085 -9.747 1.00 33.13 H new ATOM 0 HD1 TYR A 374 18.916 19.508 -12.275 1.00 15.32 H new ATOM 0 HD2 TYR A 374 18.632 15.407 -11.191 1.00 61.35 H new ATOM 0 HE1 TYR A 374 20.579 18.927 -13.986 1.00 14.12 H new ATOM 0 HE2 TYR A 374 20.288 14.837 -12.892 1.00 61.12 H new ATOM 0 HH TYR A 374 20.999 16.114 -15.252 1.00 72.43 H new ATOM 302 N LYS A 375 14.662 16.549 -9.777 1.00 33.25 N ATOM 303 CA LYS A 375 13.730 16.301 -8.715 1.00 1.13 C ATOM 304 C LYS A 375 14.290 15.210 -7.854 1.00 55.25 C ATOM 305 O LYS A 375 14.570 14.119 -8.354 1.00 42.01 O ATOM 306 CB LYS A 375 12.403 15.794 -9.277 1.00 71.13 C ATOM 307 CG LYS A 375 11.344 15.579 -8.201 1.00 61.32 C ATOM 308 CD LYS A 375 10.163 14.743 -8.685 1.00 24.33 C ATOM 309 CE LYS A 375 9.497 15.310 -9.913 1.00 54.44 C ATOM 310 NZ LYS A 375 8.304 14.524 -10.287 1.00 60.44 N ATOM 0 H LYS A 375 14.822 15.751 -10.392 1.00 33.25 H new ATOM 0 HA LYS A 375 13.569 17.225 -8.159 1.00 1.13 H new ATOM 0 HB2 LYS A 375 12.028 16.508 -10.010 1.00 71.13 H new ATOM 0 HB3 LYS A 375 12.573 14.855 -9.805 1.00 71.13 H new ATOM 0 HG2 LYS A 375 11.801 15.088 -7.342 1.00 61.32 H new ATOM 0 HG3 LYS A 375 10.980 16.548 -7.858 1.00 61.32 H new ATOM 0 HD2 LYS A 375 10.507 13.731 -8.900 1.00 24.33 H new ATOM 0 HD3 LYS A 375 9.428 14.666 -7.884 1.00 24.33 H new ATOM 0 HE2 LYS A 375 9.210 16.345 -9.729 1.00 54.44 H new ATOM 0 HE3 LYS A 375 10.204 15.318 -10.742 1.00 54.44 H new ATOM 0 HZ1 LYS A 375 7.867 14.938 -11.135 1.00 60.44 H new ATOM 0 HZ2 LYS A 375 8.583 13.542 -10.486 1.00 60.44 H new ATOM 0 HZ3 LYS A 375 7.620 14.537 -9.504 1.00 60.44 H new ATOM 324 N VAL A 376 14.423 15.462 -6.588 1.00 34.35 N ATOM 325 CA VAL A 376 14.920 14.452 -5.707 1.00 33.10 C ATOM 326 C VAL A 376 13.807 13.999 -4.792 1.00 54.14 C ATOM 327 O VAL A 376 13.361 14.740 -3.907 1.00 51.20 O ATOM 328 CB VAL A 376 16.162 14.902 -4.899 1.00 13.34 C ATOM 329 CG1 VAL A 376 16.711 13.740 -4.087 1.00 23.42 C ATOM 330 CG2 VAL A 376 17.241 15.446 -5.827 1.00 11.04 C ATOM 0 H VAL A 376 14.196 16.352 -6.144 1.00 34.35 H new ATOM 0 HA VAL A 376 15.259 13.616 -6.320 1.00 33.10 H new ATOM 0 HB VAL A 376 15.857 15.697 -4.219 1.00 13.34 H new ATOM 0 HG11 VAL A 376 17.584 14.070 -3.524 1.00 23.42 H new ATOM 0 HG12 VAL A 376 15.946 13.385 -3.396 1.00 23.42 H new ATOM 0 HG13 VAL A 376 16.997 12.930 -4.758 1.00 23.42 H new ATOM 0 HG21 VAL A 376 18.104 15.756 -5.239 1.00 11.04 H new ATOM 0 HG22 VAL A 376 17.541 14.669 -6.530 1.00 11.04 H new ATOM 0 HG23 VAL A 376 16.850 16.302 -6.377 1.00 11.04 H new ATOM 340 N VAL A 377 13.321 12.801 -5.048 1.00 24.43 N ATOM 341 CA VAL A 377 12.238 12.252 -4.281 1.00 60.02 C ATOM 342 C VAL A 377 12.752 11.517 -3.050 1.00 23.23 C ATOM 343 O VAL A 377 12.066 11.486 -2.027 1.00 0.42 O ATOM 344 CB VAL A 377 11.367 11.297 -5.142 1.00 33.11 C ATOM 345 CG1 VAL A 377 10.143 10.827 -4.367 1.00 45.24 C ATOM 346 CG2 VAL A 377 10.942 11.973 -6.436 1.00 53.43 C ATOM 0 H VAL A 377 13.667 12.191 -5.788 1.00 24.43 H new ATOM 0 HA VAL A 377 11.618 13.087 -3.954 1.00 60.02 H new ATOM 0 HB VAL A 377 11.973 10.425 -5.388 1.00 33.11 H new ATOM 0 HG11 VAL A 377 9.550 10.160 -4.993 1.00 45.24 H new ATOM 0 HG12 VAL A 377 10.462 10.296 -3.470 1.00 45.24 H new ATOM 0 HG13 VAL A 377 9.539 11.689 -4.083 1.00 45.24 H new ATOM 0 HG21 VAL A 377 10.333 11.285 -7.023 1.00 53.43 H new ATOM 0 HG22 VAL A 377 10.361 12.866 -6.206 1.00 53.43 H new ATOM 0 HG23 VAL A 377 11.827 12.253 -7.008 1.00 53.43 H new ATOM 356 N PHE A 378 13.993 10.980 -3.145 1.00 54.32 N ATOM 357 CA PHE A 378 14.578 10.112 -2.098 1.00 1.40 C ATOM 358 C PHE A 378 13.852 8.780 -2.012 1.00 44.42 C ATOM 359 O PHE A 378 12.634 8.737 -1.928 1.00 42.32 O ATOM 360 CB PHE A 378 14.654 10.777 -0.700 1.00 53.31 C ATOM 361 CG PHE A 378 15.798 11.713 -0.471 1.00 63.34 C ATOM 362 CD1 PHE A 378 15.741 13.031 -0.863 1.00 10.12 C ATOM 363 CD2 PHE A 378 16.931 11.263 0.178 1.00 32.43 C ATOM 364 CE1 PHE A 378 16.800 13.885 -0.614 1.00 54.53 C ATOM 365 CE2 PHE A 378 17.990 12.102 0.426 1.00 71.12 C ATOM 366 CZ PHE A 378 17.925 13.420 0.031 1.00 14.13 C ATOM 0 H PHE A 378 14.610 11.135 -3.942 1.00 54.32 H new ATOM 0 HA PHE A 378 15.607 9.939 -2.412 1.00 1.40 H new ATOM 0 HB2 PHE A 378 13.726 11.323 -0.530 1.00 53.31 H new ATOM 0 HB3 PHE A 378 14.702 9.989 0.051 1.00 53.31 H new ATOM 0 HD1 PHE A 378 14.862 13.402 -1.369 1.00 10.12 H new ATOM 0 HD2 PHE A 378 16.985 10.232 0.496 1.00 32.43 H new ATOM 0 HE1 PHE A 378 16.745 14.918 -0.926 1.00 54.53 H new ATOM 0 HE2 PHE A 378 18.870 11.730 0.929 1.00 71.12 H new ATOM 0 HZ PHE A 378 18.752 14.086 0.226 1.00 14.13 H new ATOM 376 N TYR A 379 14.619 7.688 -2.093 1.00 44.22 N ATOM 377 CA TYR A 379 14.098 6.295 -1.983 1.00 21.43 C ATOM 378 C TYR A 379 13.290 5.860 -3.211 1.00 0.22 C ATOM 379 O TYR A 379 13.295 4.689 -3.583 1.00 4.34 O ATOM 380 CB TYR A 379 13.351 6.052 -0.660 1.00 2.20 C ATOM 381 CG TYR A 379 14.247 6.230 0.555 1.00 2.04 C ATOM 382 CD1 TYR A 379 14.422 7.478 1.140 1.00 41.42 C ATOM 383 CD2 TYR A 379 14.937 5.154 1.096 1.00 3.14 C ATOM 384 CE1 TYR A 379 15.253 7.652 2.224 1.00 22.23 C ATOM 385 CE2 TYR A 379 15.768 5.316 2.188 1.00 53.22 C ATOM 386 CZ TYR A 379 15.923 6.567 2.746 1.00 63.41 C ATOM 387 OH TYR A 379 16.755 6.735 3.832 1.00 10.22 O ATOM 0 H TYR A 379 15.628 7.731 -2.238 1.00 44.22 H new ATOM 0 HA TYR A 379 14.973 5.645 -1.963 1.00 21.43 H new ATOM 0 HB2 TYR A 379 12.509 6.740 -0.590 1.00 2.20 H new ATOM 0 HB3 TYR A 379 12.939 5.043 -0.659 1.00 2.20 H new ATOM 0 HD1 TYR A 379 13.895 8.330 0.736 1.00 41.42 H new ATOM 0 HD2 TYR A 379 14.823 4.174 0.656 1.00 3.14 H new ATOM 0 HE1 TYR A 379 15.379 8.631 2.662 1.00 22.23 H new ATOM 0 HE2 TYR A 379 16.293 4.468 2.602 1.00 53.22 H new ATOM 0 HH TYR A 379 17.603 6.272 3.669 1.00 10.22 H new ATOM 397 N GLU A 380 12.585 6.789 -3.810 1.00 22.04 N ATOM 398 CA GLU A 380 11.969 6.560 -5.084 1.00 10.43 C ATOM 399 C GLU A 380 13.013 6.583 -6.195 1.00 11.11 C ATOM 400 O GLU A 380 13.558 5.540 -6.581 1.00 55.12 O ATOM 401 CB GLU A 380 10.864 7.589 -5.375 1.00 3.12 C ATOM 402 CG GLU A 380 9.518 7.279 -4.772 1.00 62.32 C ATOM 403 CD GLU A 380 8.864 6.075 -5.422 1.00 42.32 C ATOM 404 OE1 GLU A 380 8.987 5.917 -6.661 1.00 74.22 O ATOM 405 OE2 GLU A 380 8.169 5.311 -4.734 1.00 4.34 O ATOM 0 H GLU A 380 12.425 7.720 -3.426 1.00 22.04 H new ATOM 0 HA GLU A 380 11.506 5.574 -5.050 1.00 10.43 H new ATOM 0 HB2 GLU A 380 11.192 8.562 -5.009 1.00 3.12 H new ATOM 0 HB3 GLU A 380 10.748 7.677 -6.455 1.00 3.12 H new ATOM 0 HG2 GLU A 380 9.634 7.095 -3.704 1.00 62.32 H new ATOM 0 HG3 GLU A 380 8.866 8.146 -4.878 1.00 62.32 H new ATOM 412 N ASN A 381 13.302 7.790 -6.690 1.00 11.03 N ATOM 413 CA ASN A 381 14.241 8.018 -7.791 1.00 71.22 C ATOM 414 C ASN A 381 14.380 9.492 -8.103 1.00 22.53 C ATOM 415 O ASN A 381 13.656 10.312 -7.534 1.00 24.13 O ATOM 416 CB ASN A 381 13.969 7.139 -9.067 1.00 44.23 C ATOM 417 CG ASN A 381 12.553 7.123 -9.636 1.00 42.32 C ATOM 418 OD1 ASN A 381 11.582 7.227 -8.808 1.00 25.24 O flip ATOM 419 ND2 ASN A 381 12.360 6.961 -10.827 1.00 64.12 N flip ATOM 0 H ASN A 381 12.884 8.648 -6.331 1.00 11.03 H new ATOM 0 HA ASN A 381 15.210 7.669 -7.434 1.00 71.22 H new ATOM 0 HB2 ASN A 381 14.642 7.477 -9.855 1.00 44.23 H new ATOM 0 HB3 ASN A 381 14.246 6.112 -8.830 1.00 44.23 H new ATOM 0 HD21 ASN A 381 13.151 6.881 -11.466 1.00 64.12 H new ATOM 0 HD22 ASN A 381 11.407 6.905 -11.186 1.00 64.12 H new ATOM 426 N VAL A 382 15.337 9.834 -8.955 1.00 32.32 N ATOM 427 CA VAL A 382 15.621 11.226 -9.289 1.00 71.42 C ATOM 428 C VAL A 382 15.451 11.442 -10.787 1.00 40.12 C ATOM 429 O VAL A 382 15.833 10.579 -11.593 1.00 42.33 O ATOM 430 CB VAL A 382 17.068 11.638 -8.852 1.00 40.44 C ATOM 431 CG1 VAL A 382 17.362 13.096 -9.192 1.00 52.14 C ATOM 432 CG2 VAL A 382 17.260 11.409 -7.365 1.00 44.51 C ATOM 0 H VAL A 382 15.936 9.160 -9.432 1.00 32.32 H new ATOM 0 HA VAL A 382 14.915 11.854 -8.745 1.00 71.42 H new ATOM 0 HB VAL A 382 17.767 11.011 -9.406 1.00 40.44 H new ATOM 0 HG11 VAL A 382 18.374 13.347 -8.875 1.00 52.14 H new ATOM 0 HG12 VAL A 382 17.272 13.244 -10.268 1.00 52.14 H new ATOM 0 HG13 VAL A 382 16.650 13.741 -8.676 1.00 52.14 H new ATOM 0 HG21 VAL A 382 18.271 11.701 -7.079 1.00 44.51 H new ATOM 0 HG22 VAL A 382 16.539 12.008 -6.809 1.00 44.51 H new ATOM 0 HG23 VAL A 382 17.109 10.354 -7.137 1.00 44.51 H new ATOM 442 N PHE A 383 14.883 12.571 -11.152 1.00 11.21 N ATOM 443 CA PHE A 383 14.599 12.871 -12.543 1.00 42.40 C ATOM 444 C PHE A 383 15.188 14.218 -12.915 1.00 53.21 C ATOM 445 O PHE A 383 15.496 15.027 -12.044 1.00 70.44 O ATOM 446 CB PHE A 383 13.081 12.964 -12.760 1.00 22.34 C ATOM 447 CG PHE A 383 12.303 11.794 -12.254 1.00 14.24 C ATOM 448 CD1 PHE A 383 12.133 10.666 -13.027 1.00 42.01 C ATOM 449 CD2 PHE A 383 11.735 11.833 -10.990 1.00 45.20 C ATOM 450 CE1 PHE A 383 11.412 9.595 -12.552 1.00 73.34 C ATOM 451 CE2 PHE A 383 11.013 10.773 -10.509 1.00 75.04 C ATOM 452 CZ PHE A 383 10.850 9.649 -11.289 1.00 33.02 C ATOM 0 H PHE A 383 14.606 13.304 -10.499 1.00 11.21 H new ATOM 0 HA PHE A 383 15.031 12.078 -13.154 1.00 42.40 H new ATOM 0 HB2 PHE A 383 12.713 13.866 -12.271 1.00 22.34 H new ATOM 0 HB3 PHE A 383 12.887 13.078 -13.827 1.00 22.34 H new ATOM 0 HD1 PHE A 383 12.569 10.622 -14.014 1.00 42.01 H new ATOM 0 HD2 PHE A 383 11.864 12.712 -10.376 1.00 45.20 H new ATOM 0 HE1 PHE A 383 11.285 8.714 -13.164 1.00 73.34 H new ATOM 0 HE2 PHE A 383 10.574 10.818 -9.523 1.00 75.04 H new ATOM 0 HZ PHE A 383 10.283 8.810 -10.914 1.00 33.02 H new ATOM 462 N GLN A 384 15.334 14.435 -14.200 1.00 52.10 N ATOM 463 CA GLN A 384 15.723 15.709 -14.768 1.00 73.45 C ATOM 464 C GLN A 384 14.714 16.103 -15.829 1.00 65.22 C ATOM 465 O GLN A 384 14.709 15.544 -16.932 1.00 20.35 O ATOM 466 CB GLN A 384 17.144 15.682 -15.356 1.00 2.04 C ATOM 467 CG GLN A 384 17.423 14.482 -16.260 1.00 61.43 C ATOM 468 CD GLN A 384 18.776 14.508 -16.957 1.00 31.02 C ATOM 469 OE1 GLN A 384 19.767 15.076 -16.329 1.00 33.44 O flip ATOM 470 NE2 GLN A 384 18.920 13.990 -18.062 1.00 1.31 N flip ATOM 0 H GLN A 384 15.182 13.711 -14.902 1.00 52.10 H new ATOM 0 HA GLN A 384 15.735 16.449 -13.968 1.00 73.45 H new ATOM 0 HB2 GLN A 384 17.308 16.597 -15.925 1.00 2.04 H new ATOM 0 HB3 GLN A 384 17.864 15.682 -14.538 1.00 2.04 H new ATOM 0 HG2 GLN A 384 17.355 13.572 -15.664 1.00 61.43 H new ATOM 0 HG3 GLN A 384 16.641 14.426 -17.017 1.00 61.43 H new ATOM 0 HE21 GLN A 384 18.125 13.553 -18.528 1.00 1.31 H new ATOM 0 HE22 GLN A 384 19.835 13.997 -18.513 1.00 1.31 H new ATOM 479 N ASP A 385 13.837 17.033 -15.471 1.00 64.34 N ATOM 480 CA ASP A 385 12.741 17.521 -16.327 1.00 53.05 C ATOM 481 C ASP A 385 11.700 16.437 -16.510 1.00 34.32 C ATOM 482 O ASP A 385 10.635 16.456 -15.884 1.00 50.40 O ATOM 483 CB ASP A 385 13.255 18.004 -17.704 1.00 61.35 C ATOM 484 CG ASP A 385 12.159 18.546 -18.597 1.00 73.33 C ATOM 485 OD1 ASP A 385 11.845 19.755 -18.497 1.00 21.44 O ATOM 486 OD2 ASP A 385 11.604 17.782 -19.412 1.00 41.45 O ATOM 0 H ASP A 385 13.861 17.485 -14.557 1.00 64.34 H new ATOM 0 HA ASP A 385 12.289 18.377 -15.826 1.00 53.05 H new ATOM 0 HB2 ASP A 385 14.006 18.779 -17.552 1.00 61.35 H new ATOM 0 HB3 ASP A 385 13.750 17.175 -18.210 1.00 61.35 H new ATOM 491 N SER A 386 12.036 15.493 -17.327 1.00 24.21 N ATOM 492 CA SER A 386 11.193 14.397 -17.647 1.00 33.24 C ATOM 493 C SER A 386 12.030 13.126 -17.871 1.00 13.22 C ATOM 494 O SER A 386 11.494 12.025 -18.035 1.00 60.15 O ATOM 495 CB SER A 386 10.407 14.769 -18.892 1.00 4.21 C ATOM 496 OG SER A 386 11.288 15.174 -19.936 1.00 51.34 O ATOM 0 H SER A 386 12.937 15.466 -17.804 1.00 24.21 H new ATOM 0 HA SER A 386 10.506 14.186 -16.828 1.00 33.24 H new ATOM 0 HB2 SER A 386 9.811 13.918 -19.221 1.00 4.21 H new ATOM 0 HB3 SER A 386 9.711 15.576 -18.662 1.00 4.21 H new ATOM 0 HG SER A 386 11.392 16.148 -19.917 1.00 51.34 H new ATOM 502 N ILE A 387 13.345 13.284 -17.859 1.00 62.03 N ATOM 503 CA ILE A 387 14.247 12.188 -18.081 1.00 62.15 C ATOM 504 C ILE A 387 14.682 11.584 -16.749 1.00 54.15 C ATOM 505 O ILE A 387 15.088 12.293 -15.836 1.00 33.42 O ATOM 506 CB ILE A 387 15.484 12.622 -18.930 1.00 2.34 C ATOM 507 CG1 ILE A 387 15.026 13.087 -20.324 1.00 70.32 C ATOM 508 CG2 ILE A 387 16.516 11.501 -19.042 1.00 73.23 C ATOM 509 CD1 ILE A 387 16.155 13.477 -21.259 1.00 21.11 C ATOM 0 H ILE A 387 13.806 14.179 -17.694 1.00 62.03 H new ATOM 0 HA ILE A 387 13.716 11.426 -18.652 1.00 62.15 H new ATOM 0 HB ILE A 387 15.969 13.454 -18.420 1.00 2.34 H new ATOM 0 HG12 ILE A 387 14.447 12.288 -20.787 1.00 70.32 H new ATOM 0 HG13 ILE A 387 14.357 13.940 -20.207 1.00 70.32 H new ATOM 0 HG21 ILE A 387 17.361 11.843 -19.640 1.00 73.23 H new ATOM 0 HG22 ILE A 387 16.864 11.226 -18.046 1.00 73.23 H new ATOM 0 HG23 ILE A 387 16.061 10.634 -19.520 1.00 73.23 H new ATOM 0 HD11 ILE A 387 15.742 13.791 -22.217 1.00 21.11 H new ATOM 0 HD12 ILE A 387 16.722 14.299 -20.822 1.00 21.11 H new ATOM 0 HD13 ILE A 387 16.813 12.622 -21.411 1.00 21.11 H new ATOM 521 N LEU A 388 14.559 10.295 -16.649 1.00 33.44 N ATOM 522 CA LEU A 388 14.909 9.554 -15.459 1.00 23.12 C ATOM 523 C LEU A 388 16.406 9.278 -15.368 1.00 22.11 C ATOM 524 O LEU A 388 16.995 8.694 -16.286 1.00 42.31 O ATOM 525 CB LEU A 388 14.123 8.240 -15.443 1.00 73.42 C ATOM 526 CG LEU A 388 14.537 7.189 -14.418 1.00 30.53 C ATOM 527 CD1 LEU A 388 14.401 7.712 -13.005 1.00 62.52 C ATOM 528 CD2 LEU A 388 13.722 5.926 -14.614 1.00 11.40 C ATOM 0 H LEU A 388 14.205 9.709 -17.405 1.00 33.44 H new ATOM 0 HA LEU A 388 14.649 10.160 -14.591 1.00 23.12 H new ATOM 0 HB2 LEU A 388 13.072 8.478 -15.277 1.00 73.42 H new ATOM 0 HB3 LEU A 388 14.196 7.792 -16.434 1.00 73.42 H new ATOM 0 HG LEU A 388 15.590 6.953 -14.573 1.00 30.53 H new ATOM 0 HD11 LEU A 388 14.704 6.938 -12.300 1.00 62.52 H new ATOM 0 HD12 LEU A 388 15.038 8.588 -12.878 1.00 62.52 H new ATOM 0 HD13 LEU A 388 13.363 7.988 -12.817 1.00 62.52 H new ATOM 0 HD21 LEU A 388 14.024 5.180 -13.878 1.00 11.40 H new ATOM 0 HD22 LEU A 388 12.663 6.153 -14.488 1.00 11.40 H new ATOM 0 HD23 LEU A 388 13.892 5.535 -15.617 1.00 11.40 H new ATOM 540 N LEU A 389 17.013 9.706 -14.262 1.00 1.40 N ATOM 541 CA LEU A 389 18.409 9.416 -14.005 1.00 72.45 C ATOM 542 C LEU A 389 18.571 7.943 -13.667 1.00 1.32 C ATOM 543 O LEU A 389 19.063 7.183 -14.459 1.00 5.33 O ATOM 544 CB LEU A 389 18.954 10.262 -12.853 1.00 14.03 C ATOM 545 CG LEU A 389 18.829 11.771 -12.997 1.00 44.25 C ATOM 546 CD1 LEU A 389 19.511 12.459 -11.841 1.00 23.44 C ATOM 547 CD2 LEU A 389 19.413 12.238 -14.310 1.00 55.03 C ATOM 0 H LEU A 389 16.554 10.254 -13.534 1.00 1.40 H new ATOM 0 HA LEU A 389 18.974 9.659 -14.905 1.00 72.45 H new ATOM 0 HB2 LEU A 389 18.441 9.963 -11.939 1.00 14.03 H new ATOM 0 HB3 LEU A 389 20.008 10.019 -12.721 1.00 14.03 H new ATOM 0 HG LEU A 389 17.771 12.032 -12.988 1.00 44.25 H new ATOM 0 HD11 LEU A 389 19.416 13.539 -11.953 1.00 23.44 H new ATOM 0 HD12 LEU A 389 19.044 12.149 -10.906 1.00 23.44 H new ATOM 0 HD13 LEU A 389 20.566 12.187 -11.827 1.00 23.44 H new ATOM 0 HD21 LEU A 389 19.311 13.320 -14.389 1.00 55.03 H new ATOM 0 HD22 LEU A 389 20.468 11.968 -14.355 1.00 55.03 H new ATOM 0 HD23 LEU A 389 18.881 11.763 -15.134 1.00 55.03 H new ATOM 559 N GLY A 390 18.097 7.548 -12.505 1.00 3.01 N ATOM 560 CA GLY A 390 18.225 6.172 -12.077 1.00 61.41 C ATOM 561 C GLY A 390 17.224 5.852 -11.003 1.00 31.34 C ATOM 562 O GLY A 390 16.528 6.745 -10.543 1.00 60.21 O ATOM 0 H GLY A 390 17.621 8.159 -11.841 1.00 3.01 H new ATOM 0 HA2 GLY A 390 18.078 5.507 -12.928 1.00 61.41 H new ATOM 0 HA3 GLY A 390 19.234 5.995 -11.705 1.00 61.41 H new ATOM 566 N ASN A 391 17.175 4.596 -10.573 1.00 44.03 N ATOM 567 CA ASN A 391 16.201 4.140 -9.568 1.00 52.31 C ATOM 568 C ASN A 391 16.899 3.819 -8.318 1.00 73.41 C ATOM 569 O ASN A 391 18.045 3.353 -8.364 1.00 62.21 O ATOM 570 CB ASN A 391 15.405 2.893 -10.016 1.00 22.25 C ATOM 571 CG ASN A 391 14.326 3.160 -11.049 1.00 72.02 C ATOM 572 OD1 ASN A 391 14.516 4.133 -11.881 1.00 11.41 O flip ATOM 573 ND2 ASN A 391 13.314 2.470 -11.082 1.00 54.04 N flip ATOM 0 H ASN A 391 17.802 3.863 -10.904 1.00 44.03 H new ATOM 0 HA ASN A 391 15.491 4.956 -9.430 1.00 52.31 H new ATOM 0 HB2 ASN A 391 16.103 2.161 -10.422 1.00 22.25 H new ATOM 0 HB3 ASN A 391 14.943 2.440 -9.139 1.00 22.25 H new ATOM 0 HD21 ASN A 391 13.193 1.710 -10.413 1.00 54.04 H new ATOM 0 HD22 ASN A 391 12.593 2.656 -11.779 1.00 54.04 H new ATOM 580 N PHE A 392 16.253 4.060 -7.192 1.00 71.14 N ATOM 581 CA PHE A 392 16.898 3.760 -5.913 1.00 73.13 C ATOM 582 C PHE A 392 17.196 2.276 -5.793 1.00 23.43 C ATOM 583 O PHE A 392 16.292 1.440 -5.798 1.00 43.13 O ATOM 584 CB PHE A 392 16.070 4.240 -4.732 1.00 74.51 C ATOM 585 CG PHE A 392 16.699 3.957 -3.390 1.00 60.42 C ATOM 586 CD1 PHE A 392 17.728 4.744 -2.920 1.00 54.12 C ATOM 587 CD2 PHE A 392 16.263 2.896 -2.606 1.00 41.34 C ATOM 588 CE1 PHE A 392 18.311 4.487 -1.698 1.00 21.11 C ATOM 589 CE2 PHE A 392 16.842 2.634 -1.385 1.00 24.15 C ATOM 590 CZ PHE A 392 17.868 3.431 -0.930 1.00 23.43 C ATOM 0 H PHE A 392 15.313 4.450 -7.128 1.00 71.14 H new ATOM 0 HA PHE A 392 17.841 4.306 -5.892 1.00 73.13 H new ATOM 0 HB2 PHE A 392 15.907 5.314 -4.827 1.00 74.51 H new ATOM 0 HB3 PHE A 392 15.090 3.765 -4.771 1.00 74.51 H new ATOM 0 HD1 PHE A 392 18.082 5.572 -3.516 1.00 54.12 H new ATOM 0 HD2 PHE A 392 15.459 2.268 -2.960 1.00 41.34 H new ATOM 0 HE1 PHE A 392 19.116 5.113 -1.342 1.00 21.11 H new ATOM 0 HE2 PHE A 392 16.493 1.806 -0.786 1.00 24.15 H new ATOM 0 HZ PHE A 392 18.325 3.229 0.027 1.00 23.43 H new ATOM 600 N ALA A 393 18.455 1.957 -5.709 1.00 31.15 N ATOM 601 CA ALA A 393 18.862 0.590 -5.601 1.00 31.10 C ATOM 602 C ALA A 393 19.402 0.309 -4.219 1.00 24.14 C ATOM 603 O ALA A 393 18.947 -0.609 -3.539 1.00 22.35 O ATOM 604 CB ALA A 393 19.889 0.259 -6.669 1.00 50.32 C ATOM 0 H ALA A 393 19.220 2.631 -5.713 1.00 31.15 H new ATOM 0 HA ALA A 393 17.993 -0.049 -5.759 1.00 31.10 H new ATOM 0 HB1 ALA A 393 20.189 -0.785 -6.574 1.00 50.32 H new ATOM 0 HB2 ALA A 393 19.454 0.423 -7.655 1.00 50.32 H new ATOM 0 HB3 ALA A 393 20.762 0.900 -6.546 1.00 50.32 H new ATOM 610 N SER A 394 20.341 1.112 -3.785 1.00 64.23 N ATOM 611 CA SER A 394 20.954 0.906 -2.506 1.00 22.13 C ATOM 612 C SER A 394 21.425 2.247 -1.954 1.00 20.14 C ATOM 613 O SER A 394 21.373 3.265 -2.662 1.00 60.00 O ATOM 614 CB SER A 394 22.126 -0.087 -2.650 1.00 21.12 C ATOM 615 OG SER A 394 22.671 -0.441 -1.395 1.00 22.13 O ATOM 0 H SER A 394 20.695 1.916 -4.304 1.00 64.23 H new ATOM 0 HA SER A 394 20.235 0.480 -1.806 1.00 22.13 H new ATOM 0 HB2 SER A 394 21.781 -0.985 -3.163 1.00 21.12 H new ATOM 0 HB3 SER A 394 22.904 0.356 -3.272 1.00 21.12 H new ATOM 0 HG SER A 394 23.409 -1.072 -1.525 1.00 22.13 H new ATOM 621 N GLN A 395 21.858 2.256 -0.712 1.00 13.11 N ATOM 622 CA GLN A 395 22.327 3.460 -0.069 1.00 31.45 C ATOM 623 C GLN A 395 23.545 3.158 0.803 1.00 12.42 C ATOM 624 O GLN A 395 23.584 2.145 1.515 1.00 54.45 O ATOM 625 CB GLN A 395 21.197 4.113 0.756 1.00 30.14 C ATOM 626 CG GLN A 395 20.646 3.243 1.881 1.00 71.14 C ATOM 627 CD GLN A 395 19.454 3.859 2.590 1.00 63.34 C ATOM 628 OE1 GLN A 395 19.310 5.079 2.680 1.00 60.22 O ATOM 629 NE2 GLN A 395 18.600 3.024 3.108 1.00 41.33 N ATOM 0 H GLN A 395 21.894 1.426 -0.120 1.00 13.11 H new ATOM 0 HA GLN A 395 22.630 4.170 -0.838 1.00 31.45 H new ATOM 0 HB2 GLN A 395 21.569 5.044 1.184 1.00 30.14 H new ATOM 0 HB3 GLN A 395 20.380 4.375 0.084 1.00 30.14 H new ATOM 0 HG2 GLN A 395 20.356 2.275 1.473 1.00 71.14 H new ATOM 0 HG3 GLN A 395 21.437 3.059 2.608 1.00 71.14 H new ATOM 0 HE21 GLN A 395 18.749 2.019 3.015 1.00 41.33 H new ATOM 0 HE22 GLN A 395 17.782 3.375 3.606 1.00 41.33 H new ATOM 638 N GLU A 396 24.528 4.014 0.726 1.00 2.13 N ATOM 639 CA GLU A 396 25.737 3.889 1.497 1.00 4.15 C ATOM 640 C GLU A 396 25.777 4.987 2.526 1.00 60.21 C ATOM 641 O GLU A 396 26.131 6.132 2.202 1.00 35.12 O ATOM 642 CB GLU A 396 26.973 4.011 0.612 1.00 54.12 C ATOM 643 CG GLU A 396 27.110 2.958 -0.460 1.00 1.21 C ATOM 644 CD GLU A 396 28.344 3.180 -1.288 1.00 44.33 C ATOM 645 OE1 GLU A 396 29.462 2.859 -0.813 1.00 14.30 O ATOM 646 OE2 GLU A 396 28.236 3.702 -2.408 1.00 31.22 O ATOM 0 H GLU A 396 24.512 4.831 0.116 1.00 2.13 H new ATOM 0 HA GLU A 396 25.740 2.907 1.971 1.00 4.15 H new ATOM 0 HB2 GLU A 396 26.962 4.991 0.135 1.00 54.12 H new ATOM 0 HB3 GLU A 396 27.858 3.976 1.247 1.00 54.12 H new ATOM 0 HG2 GLU A 396 27.151 1.971 0.000 1.00 1.21 H new ATOM 0 HG3 GLU A 396 26.230 2.974 -1.103 1.00 1.21 H new ATOM 653 N GLY A 397 25.395 4.668 3.738 1.00 72.14 N ATOM 654 CA GLY A 397 25.383 5.649 4.799 1.00 35.22 C ATOM 655 C GLY A 397 24.375 6.755 4.548 1.00 4.10 C ATOM 656 O GLY A 397 23.171 6.549 4.696 1.00 1.21 O ATOM 0 H GLY A 397 25.088 3.736 4.016 1.00 72.14 H new ATOM 0 HA2 GLY A 397 25.152 5.157 5.744 1.00 35.22 H new ATOM 0 HA3 GLY A 397 26.378 6.083 4.901 1.00 35.22 H new ATOM 660 N ASN A 398 24.863 7.908 4.145 1.00 21.41 N ATOM 661 CA ASN A 398 24.008 9.065 3.886 1.00 71.14 C ATOM 662 C ASN A 398 23.768 9.212 2.376 1.00 63.12 C ATOM 663 O ASN A 398 22.901 9.972 1.930 1.00 13.22 O ATOM 664 CB ASN A 398 24.716 10.332 4.425 1.00 4.11 C ATOM 665 CG ASN A 398 23.933 11.623 4.234 1.00 42.13 C ATOM 666 OD1 ASN A 398 24.032 12.273 3.200 1.00 62.33 O ATOM 667 ND2 ASN A 398 23.197 12.029 5.239 1.00 30.51 N ATOM 0 H ASN A 398 25.856 8.078 3.986 1.00 21.41 H new ATOM 0 HA ASN A 398 23.047 8.932 4.383 1.00 71.14 H new ATOM 0 HB2 ASN A 398 24.915 10.197 5.488 1.00 4.11 H new ATOM 0 HB3 ASN A 398 25.682 10.431 3.930 1.00 4.11 H new ATOM 0 HD21 ASN A 398 22.686 12.909 5.174 1.00 30.51 H new ATOM 0 HD22 ASN A 398 23.135 11.465 6.087 1.00 30.51 H new ATOM 674 N VAL A 399 24.494 8.441 1.604 1.00 13.41 N ATOM 675 CA VAL A 399 24.462 8.557 0.162 1.00 10.13 C ATOM 676 C VAL A 399 23.529 7.532 -0.470 1.00 72.44 C ATOM 677 O VAL A 399 23.697 6.339 -0.285 1.00 3.14 O ATOM 678 CB VAL A 399 25.879 8.391 -0.432 1.00 2.02 C ATOM 679 CG1 VAL A 399 25.843 8.513 -1.931 1.00 1.43 C ATOM 680 CG2 VAL A 399 26.819 9.417 0.153 1.00 22.22 C ATOM 0 H VAL A 399 25.122 7.717 1.953 1.00 13.41 H new ATOM 0 HA VAL A 399 24.084 9.553 -0.066 1.00 10.13 H new ATOM 0 HB VAL A 399 26.243 7.396 -0.175 1.00 2.02 H new ATOM 0 HG11 VAL A 399 26.850 8.393 -2.330 1.00 1.43 H new ATOM 0 HG12 VAL A 399 25.195 7.740 -2.344 1.00 1.43 H new ATOM 0 HG13 VAL A 399 25.458 9.495 -2.207 1.00 1.43 H new ATOM 0 HG21 VAL A 399 27.813 9.286 -0.276 1.00 22.22 H new ATOM 0 HG22 VAL A 399 26.453 10.418 -0.076 1.00 22.22 H new ATOM 0 HG23 VAL A 399 26.871 9.289 1.234 1.00 22.22 H new ATOM 690 N LEU A 400 22.566 8.006 -1.217 1.00 51.45 N ATOM 691 CA LEU A 400 21.625 7.134 -1.899 1.00 54.31 C ATOM 692 C LEU A 400 22.034 6.964 -3.354 1.00 1.23 C ATOM 693 O LEU A 400 22.374 7.944 -4.028 1.00 62.43 O ATOM 694 CB LEU A 400 20.174 7.653 -1.811 1.00 4.32 C ATOM 695 CG LEU A 400 19.485 7.664 -0.420 1.00 12.11 C ATOM 696 CD1 LEU A 400 20.113 8.664 0.536 1.00 43.10 C ATOM 697 CD2 LEU A 400 17.996 7.916 -0.561 1.00 51.11 C ATOM 0 H LEU A 400 22.406 9.001 -1.374 1.00 51.45 H new ATOM 0 HA LEU A 400 21.652 6.168 -1.395 1.00 54.31 H new ATOM 0 HB2 LEU A 400 20.160 8.672 -2.198 1.00 4.32 H new ATOM 0 HB3 LEU A 400 19.562 7.049 -2.481 1.00 4.32 H new ATOM 0 HG LEU A 400 19.636 6.676 0.015 1.00 12.11 H new ATOM 0 HD11 LEU A 400 19.592 8.629 1.493 1.00 43.10 H new ATOM 0 HD12 LEU A 400 21.163 8.414 0.685 1.00 43.10 H new ATOM 0 HD13 LEU A 400 20.035 9.667 0.117 1.00 43.10 H new ATOM 0 HD21 LEU A 400 17.533 7.920 0.426 1.00 51.11 H new ATOM 0 HD22 LEU A 400 17.834 8.881 -1.042 1.00 51.11 H new ATOM 0 HD23 LEU A 400 17.550 7.129 -1.169 1.00 51.11 H new ATOM 709 N LYS A 401 22.000 5.741 -3.840 1.00 4.13 N ATOM 710 CA LYS A 401 22.450 5.447 -5.185 1.00 54.02 C ATOM 711 C LYS A 401 21.248 5.056 -6.058 1.00 60.30 C ATOM 712 O LYS A 401 20.448 4.175 -5.687 1.00 0.44 O ATOM 713 CB LYS A 401 23.462 4.281 -5.126 1.00 34.33 C ATOM 714 CG LYS A 401 24.411 4.138 -6.322 1.00 51.04 C ATOM 715 CD LYS A 401 23.717 3.862 -7.643 1.00 62.44 C ATOM 716 CE LYS A 401 22.946 2.550 -7.662 1.00 62.11 C ATOM 717 NZ LYS A 401 23.785 1.391 -7.258 1.00 65.42 N ATOM 0 H LYS A 401 21.664 4.930 -3.321 1.00 4.13 H new ATOM 0 HA LYS A 401 22.927 6.325 -5.619 1.00 54.02 H new ATOM 0 HB2 LYS A 401 24.064 4.397 -4.225 1.00 34.33 H new ATOM 0 HB3 LYS A 401 22.905 3.350 -5.020 1.00 34.33 H new ATOM 0 HG2 LYS A 401 24.996 5.052 -6.417 1.00 51.04 H new ATOM 0 HG3 LYS A 401 25.113 3.330 -6.119 1.00 51.04 H new ATOM 0 HD2 LYS A 401 23.031 4.680 -7.862 1.00 62.44 H new ATOM 0 HD3 LYS A 401 24.461 3.848 -8.439 1.00 62.44 H new ATOM 0 HE2 LYS A 401 22.090 2.626 -6.992 1.00 62.11 H new ATOM 0 HE3 LYS A 401 22.552 2.378 -8.664 1.00 62.11 H new ATOM 0 HZ1 LYS A 401 23.395 0.520 -7.671 1.00 65.42 H new ATOM 0 HZ2 LYS A 401 24.758 1.531 -7.599 1.00 65.42 H new ATOM 0 HZ3 LYS A 401 23.790 1.311 -6.221 1.00 65.42 H new ATOM 731 N TYR A 402 21.137 5.693 -7.207 1.00 54.11 N ATOM 732 CA TYR A 402 20.093 5.428 -8.151 1.00 14.04 C ATOM 733 C TYR A 402 20.732 4.941 -9.465 1.00 32.24 C ATOM 734 O TYR A 402 21.618 5.591 -9.969 1.00 72.53 O ATOM 735 CB TYR A 402 19.301 6.723 -8.391 1.00 2.41 C ATOM 736 CG TYR A 402 18.703 7.334 -7.128 1.00 43.35 C ATOM 737 CD1 TYR A 402 19.457 8.157 -6.302 1.00 30.43 C ATOM 738 CD2 TYR A 402 17.396 7.082 -6.767 1.00 50.21 C ATOM 739 CE1 TYR A 402 18.919 8.704 -5.158 1.00 53.25 C ATOM 740 CE2 TYR A 402 16.850 7.631 -5.619 1.00 73.32 C ATOM 741 CZ TYR A 402 17.618 8.438 -4.822 1.00 14.52 C ATOM 742 OH TYR A 402 17.077 8.993 -3.680 1.00 34.21 O ATOM 0 H TYR A 402 21.786 6.420 -7.507 1.00 54.11 H new ATOM 0 HA TYR A 402 19.416 4.662 -7.774 1.00 14.04 H new ATOM 0 HB2 TYR A 402 19.958 7.456 -8.859 1.00 2.41 H new ATOM 0 HB3 TYR A 402 18.497 6.518 -9.098 1.00 2.41 H new ATOM 0 HD1 TYR A 402 20.483 8.372 -6.561 1.00 30.43 H new ATOM 0 HD2 TYR A 402 16.787 6.445 -7.391 1.00 50.21 H new ATOM 0 HE1 TYR A 402 19.522 9.341 -4.527 1.00 53.25 H new ATOM 0 HE2 TYR A 402 15.824 7.424 -5.353 1.00 73.32 H new ATOM 0 HH TYR A 402 17.255 9.957 -3.669 1.00 34.21 H new ATOM 752 N GLU A 403 20.301 3.801 -9.999 1.00 63.05 N ATOM 753 CA GLU A 403 20.890 3.274 -11.264 1.00 41.42 C ATOM 754 C GLU A 403 19.836 2.814 -12.246 1.00 22.24 C ATOM 755 O GLU A 403 18.657 2.767 -11.914 1.00 54.44 O ATOM 756 CB GLU A 403 21.821 2.091 -11.003 1.00 12.04 C ATOM 757 CG GLU A 403 21.154 0.916 -10.302 1.00 21.34 C ATOM 758 CD GLU A 403 22.087 -0.242 -10.093 1.00 22.11 C ATOM 759 OE1 GLU A 403 22.200 -1.105 -10.978 1.00 14.40 O ATOM 760 OE2 GLU A 403 22.731 -0.306 -9.038 1.00 53.53 O ATOM 0 H GLU A 403 19.563 3.222 -9.599 1.00 63.05 H new ATOM 0 HA GLU A 403 21.446 4.109 -11.690 1.00 41.42 H new ATOM 0 HB2 GLU A 403 22.230 1.748 -11.953 1.00 12.04 H new ATOM 0 HB3 GLU A 403 22.662 2.431 -10.398 1.00 12.04 H new ATOM 0 HG2 GLU A 403 20.769 1.245 -9.337 1.00 21.34 H new ATOM 0 HG3 GLU A 403 20.298 0.586 -10.891 1.00 21.34 H new ATOM 767 N ASN A 404 20.296 2.481 -13.463 1.00 2.02 N ATOM 768 CA ASN A 404 19.465 1.873 -14.518 1.00 43.30 C ATOM 769 C ASN A 404 18.290 2.723 -14.938 1.00 23.23 C ATOM 770 O ASN A 404 17.154 2.232 -15.046 1.00 1.14 O ATOM 771 CB ASN A 404 19.005 0.436 -14.159 1.00 2.44 C ATOM 772 CG ASN A 404 20.099 -0.634 -14.261 1.00 74.51 C ATOM 773 OD1 ASN A 404 21.336 -0.276 -14.021 1.00 11.13 O flip ATOM 774 ND2 ASN A 404 19.806 -1.801 -14.572 1.00 22.41 N flip ATOM 0 H ASN A 404 21.265 2.627 -13.746 1.00 2.02 H new ATOM 0 HA ASN A 404 20.126 1.810 -15.383 1.00 43.30 H new ATOM 0 HB2 ASN A 404 18.613 0.439 -13.142 1.00 2.44 H new ATOM 0 HB3 ASN A 404 18.182 0.158 -14.817 1.00 2.44 H new ATOM 0 HD21 ASN A 404 18.834 -2.052 -14.753 1.00 22.41 H new ATOM 0 HD22 ASN A 404 20.537 -2.508 -14.646 1.00 22.41 H new ATOM 781 N GLY A 405 18.547 3.975 -15.202 1.00 45.53 N ATOM 782 CA GLY A 405 17.502 4.830 -15.676 1.00 51.45 C ATOM 783 C GLY A 405 17.507 4.911 -17.182 1.00 41.34 C ATOM 784 O GLY A 405 17.705 3.891 -17.879 1.00 50.14 O ATOM 0 H GLY A 405 19.460 4.418 -15.098 1.00 45.53 H new ATOM 0 HA2 GLY A 405 16.538 4.456 -15.332 1.00 51.45 H new ATOM 0 HA3 GLY A 405 17.625 5.828 -15.255 1.00 51.45 H new ATOM 788 N GLN A 406 17.326 6.104 -17.689 1.00 71.42 N ATOM 789 CA GLN A 406 17.311 6.347 -19.117 1.00 44.35 C ATOM 790 C GLN A 406 18.662 6.068 -19.733 1.00 64.12 C ATOM 791 O GLN A 406 19.695 6.271 -19.102 1.00 52.40 O ATOM 792 CB GLN A 406 16.849 7.761 -19.413 1.00 34.50 C ATOM 793 CG GLN A 406 15.376 7.990 -19.154 1.00 14.21 C ATOM 794 CD GLN A 406 14.497 7.204 -20.093 1.00 61.52 C ATOM 795 OE1 GLN A 406 14.114 6.064 -19.812 1.00 33.45 O ATOM 796 NE2 GLN A 406 14.177 7.800 -21.214 1.00 23.41 N ATOM 0 H GLN A 406 17.184 6.941 -17.124 1.00 71.42 H new ATOM 0 HA GLN A 406 16.599 5.659 -19.572 1.00 44.35 H new ATOM 0 HB2 GLN A 406 17.427 8.457 -18.805 1.00 34.50 H new ATOM 0 HB3 GLN A 406 17.065 7.993 -20.456 1.00 34.50 H new ATOM 0 HG2 GLN A 406 15.144 7.713 -18.126 1.00 14.21 H new ATOM 0 HG3 GLN A 406 15.153 9.052 -19.256 1.00 14.21 H new ATOM 0 HE21 GLN A 406 14.516 8.743 -21.405 1.00 23.41 H new ATOM 0 HE22 GLN A 406 13.589 7.321 -21.896 1.00 23.41 H new ATOM 805 N SER A 407 18.645 5.580 -20.935 1.00 40.03 N ATOM 806 CA SER A 407 19.835 5.204 -21.640 1.00 64.00 C ATOM 807 C SER A 407 20.780 6.401 -21.868 1.00 45.23 C ATOM 808 O SER A 407 20.343 7.544 -22.020 1.00 72.52 O ATOM 809 CB SER A 407 19.440 4.539 -22.944 1.00 23.11 C ATOM 810 OG SER A 407 18.648 3.383 -22.680 1.00 74.24 O ATOM 0 H SER A 407 17.787 5.428 -21.465 1.00 40.03 H new ATOM 0 HA SER A 407 20.398 4.497 -21.032 1.00 64.00 H new ATOM 0 HB2 SER A 407 18.881 5.239 -23.564 1.00 23.11 H new ATOM 0 HB3 SER A 407 20.332 4.259 -23.504 1.00 23.11 H new ATOM 0 HG SER A 407 18.395 2.959 -23.527 1.00 74.24 H new ATOM 816 N CYS A 408 22.063 6.112 -21.884 1.00 53.14 N ATOM 817 CA CYS A 408 23.106 7.110 -22.028 1.00 32.33 C ATOM 818 C CYS A 408 23.436 7.308 -23.512 1.00 1.32 C ATOM 819 O CYS A 408 24.306 8.096 -23.867 1.00 23.15 O ATOM 820 CB CYS A 408 24.341 6.663 -21.199 1.00 71.40 C ATOM 821 SG CYS A 408 25.833 7.710 -21.291 1.00 64.24 S ATOM 0 H CYS A 408 22.419 5.160 -21.796 1.00 53.14 H new ATOM 0 HA CYS A 408 22.774 8.075 -21.646 1.00 32.33 H new ATOM 0 HB2 CYS A 408 24.040 6.596 -20.154 1.00 71.40 H new ATOM 0 HB3 CYS A 408 24.615 5.657 -21.517 1.00 71.40 H new ATOM 889 N ARG A 414 21.830 5.911 -17.513 1.00 32.34 N ATOM 890 CA ARG A 414 21.997 6.942 -16.527 1.00 2.34 C ATOM 891 C ARG A 414 21.837 6.402 -15.124 1.00 13.30 C ATOM 892 O ARG A 414 21.213 5.338 -14.899 1.00 3.15 O ATOM 893 CB ARG A 414 21.045 8.122 -16.779 1.00 34.24 C ATOM 894 CG ARG A 414 21.430 8.970 -17.972 1.00 43.53 C ATOM 895 CD ARG A 414 20.419 10.059 -18.255 1.00 64.42 C ATOM 896 NE ARG A 414 20.926 10.996 -19.272 1.00 23.25 N ATOM 897 CZ ARG A 414 20.381 11.219 -20.472 1.00 54.33 C ATOM 898 NH1 ARG A 414 19.315 10.531 -20.866 1.00 34.22 N ATOM 899 NH2 ARG A 414 20.916 12.127 -21.277 1.00 22.34 N ATOM 0 HA ARG A 414 23.017 7.314 -16.621 1.00 2.34 H new ATOM 0 HB2 ARG A 414 20.036 7.738 -16.928 1.00 34.24 H new ATOM 0 HB3 ARG A 414 21.018 8.752 -15.890 1.00 34.24 H new ATOM 0 HG2 ARG A 414 22.406 9.421 -17.794 1.00 43.53 H new ATOM 0 HG3 ARG A 414 21.529 8.333 -18.851 1.00 43.53 H new ATOM 0 HD2 ARG A 414 19.485 9.614 -18.599 1.00 64.42 H new ATOM 0 HD3 ARG A 414 20.195 10.600 -17.336 1.00 64.42 H new ATOM 0 HE ARG A 414 21.769 11.522 -19.040 1.00 23.25 H new ATOM 0 HH11 ARG A 414 18.907 9.827 -20.251 1.00 34.22 H new ATOM 0 HH12 ARG A 414 18.905 10.707 -21.783 1.00 34.22 H new ATOM 0 HH21 ARG A 414 21.739 12.651 -20.979 1.00 22.34 H new ATOM 0 HH22 ARG A 414 20.504 12.301 -22.194 1.00 22.34 H new ATOM 913 N SER A 415 22.429 7.094 -14.201 1.00 45.32 N ATOM 914 CA SER A 415 22.387 6.781 -12.805 1.00 62.51 C ATOM 915 C SER A 415 22.590 8.078 -12.029 1.00 64.13 C ATOM 916 O SER A 415 22.960 9.093 -12.616 1.00 14.35 O ATOM 917 CB SER A 415 23.473 5.739 -12.479 1.00 64.02 C ATOM 918 OG SER A 415 23.255 4.540 -13.216 1.00 4.40 O ATOM 0 H SER A 415 22.978 7.928 -14.408 1.00 45.32 H new ATOM 0 HA SER A 415 21.428 6.347 -12.523 1.00 62.51 H new ATOM 0 HB2 SER A 415 24.457 6.144 -12.717 1.00 64.02 H new ATOM 0 HB3 SER A 415 23.467 5.522 -11.411 1.00 64.02 H new ATOM 0 HG SER A 415 23.955 3.890 -12.998 1.00 4.40 H new ATOM 924 N ALA A 416 22.338 8.058 -10.759 1.00 2.23 N ATOM 925 CA ALA A 416 22.463 9.231 -9.937 1.00 52.40 C ATOM 926 C ALA A 416 22.983 8.842 -8.583 1.00 25.14 C ATOM 927 O ALA A 416 22.624 7.792 -8.054 1.00 1.33 O ATOM 928 CB ALA A 416 21.120 9.932 -9.804 1.00 41.32 C ATOM 0 H ALA A 416 22.037 7.224 -10.255 1.00 2.23 H new ATOM 0 HA ALA A 416 23.164 9.921 -10.406 1.00 52.40 H new ATOM 0 HB1 ALA A 416 21.232 10.818 -9.179 1.00 41.32 H new ATOM 0 HB2 ALA A 416 20.764 10.227 -10.791 1.00 41.32 H new ATOM 0 HB3 ALA A 416 20.399 9.254 -9.347 1.00 41.32 H new ATOM 934 N ILE A 417 23.827 9.651 -8.038 1.00 51.22 N ATOM 935 CA ILE A 417 24.379 9.391 -6.750 1.00 5.44 C ATOM 936 C ILE A 417 24.119 10.615 -5.838 1.00 53.21 C ATOM 937 O ILE A 417 24.684 11.687 -6.033 1.00 10.35 O ATOM 938 CB ILE A 417 25.908 9.021 -6.864 1.00 23.51 C ATOM 939 CG1 ILE A 417 26.498 8.583 -5.535 1.00 3.11 C ATOM 940 CG2 ILE A 417 26.741 10.111 -7.505 1.00 20.31 C ATOM 941 CD1 ILE A 417 25.941 7.267 -5.048 1.00 11.33 C ATOM 0 H ILE A 417 24.155 10.513 -8.473 1.00 51.22 H new ATOM 0 HA ILE A 417 23.894 8.526 -6.297 1.00 5.44 H new ATOM 0 HB ILE A 417 25.948 8.165 -7.538 1.00 23.51 H new ATOM 0 HG12 ILE A 417 27.580 8.499 -5.634 1.00 3.11 H new ATOM 0 HG13 ILE A 417 26.305 9.352 -4.787 1.00 3.11 H new ATOM 0 HG21 ILE A 417 27.782 9.793 -7.553 1.00 20.31 H new ATOM 0 HG22 ILE A 417 26.374 10.304 -8.513 1.00 20.31 H new ATOM 0 HG23 ILE A 417 26.667 11.022 -6.911 1.00 20.31 H new ATOM 0 HD11 ILE A 417 26.401 7.008 -4.094 1.00 11.33 H new ATOM 0 HD12 ILE A 417 24.862 7.354 -4.919 1.00 11.33 H new ATOM 0 HD13 ILE A 417 26.157 6.488 -5.779 1.00 11.33 H new ATOM 953 N VAL A 418 23.226 10.460 -4.884 1.00 70.22 N ATOM 954 CA VAL A 418 22.835 11.572 -4.025 1.00 1.15 C ATOM 955 C VAL A 418 23.647 11.591 -2.751 1.00 42.43 C ATOM 956 O VAL A 418 23.512 10.719 -1.895 1.00 44.51 O ATOM 957 CB VAL A 418 21.308 11.552 -3.698 1.00 14.24 C ATOM 958 CG1 VAL A 418 20.917 12.643 -2.700 1.00 14.41 C ATOM 959 CG2 VAL A 418 20.490 11.715 -4.959 1.00 61.22 C ATOM 0 H VAL A 418 22.754 9.579 -4.679 1.00 70.22 H new ATOM 0 HA VAL A 418 23.042 12.487 -4.581 1.00 1.15 H new ATOM 0 HB VAL A 418 21.098 10.584 -3.244 1.00 14.24 H new ATOM 0 HG11 VAL A 418 19.846 12.590 -2.504 1.00 14.41 H new ATOM 0 HG12 VAL A 418 21.464 12.497 -1.769 1.00 14.41 H new ATOM 0 HG13 VAL A 418 21.161 13.621 -3.115 1.00 14.41 H new ATOM 0 HG21 VAL A 418 19.429 11.698 -4.709 1.00 61.22 H new ATOM 0 HG22 VAL A 418 20.736 12.665 -5.432 1.00 61.22 H new ATOM 0 HG23 VAL A 418 20.714 10.899 -5.646 1.00 61.22 H new ATOM 969 N THR A 419 24.481 12.580 -2.644 1.00 31.25 N ATOM 970 CA THR A 419 25.307 12.785 -1.502 1.00 44.22 C ATOM 971 C THR A 419 24.856 14.057 -0.793 1.00 12.43 C ATOM 972 O THR A 419 24.890 15.156 -1.373 1.00 1.10 O ATOM 973 CB THR A 419 26.780 12.912 -1.947 1.00 25.34 C ATOM 974 OG1 THR A 419 27.144 11.725 -2.665 1.00 31.44 O ATOM 975 CG2 THR A 419 27.711 13.088 -0.753 1.00 12.52 C ATOM 0 H THR A 419 24.606 13.284 -3.371 1.00 31.25 H new ATOM 0 HA THR A 419 25.221 11.940 -0.819 1.00 44.22 H new ATOM 0 HB THR A 419 26.879 13.793 -2.580 1.00 25.34 H new ATOM 0 HG1 THR A 419 28.077 11.792 -2.956 1.00 31.44 H new ATOM 0 HG21 THR A 419 28.740 13.174 -1.103 1.00 12.52 H new ATOM 0 HG22 THR A 419 27.437 13.991 -0.208 1.00 12.52 H new ATOM 0 HG23 THR A 419 27.624 12.225 -0.093 1.00 12.52 H new ATOM 983 N VAL A 420 24.404 13.920 0.427 1.00 21.13 N ATOM 984 CA VAL A 420 23.938 15.051 1.159 1.00 1.20 C ATOM 985 C VAL A 420 25.019 15.451 2.161 1.00 4.22 C ATOM 986 O VAL A 420 25.557 14.606 2.855 1.00 23.44 O ATOM 987 CB VAL A 420 22.610 14.724 1.902 1.00 2.42 C ATOM 988 CG1 VAL A 420 22.004 15.966 2.513 1.00 5.02 C ATOM 989 CG2 VAL A 420 21.614 14.038 0.975 1.00 61.02 C ATOM 0 H VAL A 420 24.352 13.033 0.928 1.00 21.13 H new ATOM 0 HA VAL A 420 23.737 15.873 0.472 1.00 1.20 H new ATOM 0 HB VAL A 420 22.849 14.033 2.711 1.00 2.42 H new ATOM 0 HG11 VAL A 420 21.078 15.705 3.025 1.00 5.02 H new ATOM 0 HG12 VAL A 420 22.704 16.399 3.228 1.00 5.02 H new ATOM 0 HG13 VAL A 420 21.792 16.692 1.728 1.00 5.02 H new ATOM 0 HG21 VAL A 420 20.696 13.822 1.522 1.00 61.02 H new ATOM 0 HG22 VAL A 420 21.389 14.693 0.134 1.00 61.02 H new ATOM 0 HG23 VAL A 420 22.043 13.107 0.605 1.00 61.02 H new ATOM 999 N GLU A 421 25.351 16.715 2.212 1.00 12.24 N ATOM 1000 CA GLU A 421 26.397 17.197 3.117 1.00 52.52 C ATOM 1001 C GLU A 421 25.816 17.995 4.299 1.00 25.44 C ATOM 1002 O GLU A 421 26.549 18.653 5.048 1.00 12.23 O ATOM 1003 CB GLU A 421 27.458 17.996 2.332 1.00 43.44 C ATOM 1004 CG GLU A 421 26.908 19.130 1.471 1.00 73.43 C ATOM 1005 CD GLU A 421 28.002 19.874 0.732 1.00 50.45 C ATOM 1006 OE1 GLU A 421 28.429 19.425 -0.371 1.00 51.33 O ATOM 1007 OE2 GLU A 421 28.469 20.914 1.244 1.00 64.14 O ATOM 0 H GLU A 421 24.919 17.442 1.641 1.00 12.24 H new ATOM 0 HA GLU A 421 26.892 16.331 3.557 1.00 52.52 H new ATOM 0 HB2 GLU A 421 28.174 18.413 3.040 1.00 43.44 H new ATOM 0 HB3 GLU A 421 28.008 17.307 1.691 1.00 43.44 H new ATOM 0 HG2 GLU A 421 26.197 18.725 0.751 1.00 73.43 H new ATOM 0 HG3 GLU A 421 26.359 19.829 2.102 1.00 73.43 H new ATOM 1014 N CYS A 422 24.494 17.874 4.468 1.00 32.30 N ATOM 1015 CA CYS A 422 23.710 18.533 5.533 1.00 11.54 C ATOM 1016 C CYS A 422 23.745 20.075 5.421 1.00 22.14 C ATOM 1017 O CYS A 422 24.688 20.659 4.886 1.00 52.21 O ATOM 1018 CB CYS A 422 24.139 18.061 6.934 1.00 1.23 C ATOM 1019 SG CYS A 422 23.054 18.680 8.271 1.00 51.41 S ATOM 0 H CYS A 422 23.918 17.299 3.852 1.00 32.30 H new ATOM 0 HA CYS A 422 22.674 18.228 5.387 1.00 11.54 H new ATOM 0 HB2 CYS A 422 24.146 16.971 6.956 1.00 1.23 H new ATOM 0 HB3 CYS A 422 25.161 18.390 7.123 1.00 1.23 H new ATOM 0 HG CYS A 422 21.816 18.650 7.874 1.00 51.41 H new ATOM 1024 N GLY A 423 22.721 20.731 5.917 1.00 33.23 N ATOM 1025 CA GLY A 423 22.639 22.172 5.761 1.00 3.24 C ATOM 1026 C GLY A 423 21.484 22.762 6.521 1.00 60.50 C ATOM 1027 O GLY A 423 20.981 22.140 7.447 1.00 22.14 O ATOM 0 H GLY A 423 21.945 20.304 6.423 1.00 33.23 H new ATOM 0 HA2 GLY A 423 23.568 22.626 6.106 1.00 3.24 H new ATOM 0 HA3 GLY A 423 22.538 22.416 4.703 1.00 3.24 H new ATOM 1031 N VAL A 424 21.059 23.948 6.130 1.00 15.31 N ATOM 1032 CA VAL A 424 19.957 24.653 6.806 1.00 55.44 C ATOM 1033 C VAL A 424 18.595 24.292 6.188 1.00 54.12 C ATOM 1034 O VAL A 424 17.569 24.223 6.881 1.00 24.12 O ATOM 1035 CB VAL A 424 20.168 26.196 6.750 1.00 74.21 C ATOM 1036 CG1 VAL A 424 19.021 26.939 7.414 1.00 43.23 C ATOM 1037 CG2 VAL A 424 21.487 26.579 7.404 1.00 34.14 C ATOM 0 H VAL A 424 21.457 24.458 5.341 1.00 15.31 H new ATOM 0 HA VAL A 424 19.959 24.332 7.848 1.00 55.44 H new ATOM 0 HB VAL A 424 20.195 26.486 5.700 1.00 74.21 H new ATOM 0 HG11 VAL A 424 19.201 28.012 7.357 1.00 43.23 H new ATOM 0 HG12 VAL A 424 18.088 26.700 6.903 1.00 43.23 H new ATOM 0 HG13 VAL A 424 18.950 26.639 8.459 1.00 43.23 H new ATOM 0 HG21 VAL A 424 21.617 27.660 7.355 1.00 34.14 H new ATOM 0 HG22 VAL A 424 21.482 26.261 8.446 1.00 34.14 H new ATOM 0 HG23 VAL A 424 22.308 26.091 6.879 1.00 34.14 H new ATOM 1047 N GLU A 425 18.591 24.037 4.909 1.00 24.52 N ATOM 1048 CA GLU A 425 17.382 23.721 4.197 1.00 2.22 C ATOM 1049 C GLU A 425 17.720 22.749 3.101 1.00 34.10 C ATOM 1050 O GLU A 425 18.882 22.649 2.714 1.00 73.34 O ATOM 1051 CB GLU A 425 16.766 25.001 3.609 1.00 50.32 C ATOM 1052 CG GLU A 425 15.434 24.794 2.926 1.00 32.11 C ATOM 1053 CD GLU A 425 14.416 24.244 3.885 1.00 2.32 C ATOM 1054 OE1 GLU A 425 13.768 25.044 4.586 1.00 23.13 O ATOM 1055 OE2 GLU A 425 14.275 23.000 3.974 1.00 12.25 O ATOM 0 H GLU A 425 19.429 24.042 4.328 1.00 24.52 H new ATOM 0 HA GLU A 425 16.652 23.276 4.873 1.00 2.22 H new ATOM 0 HB2 GLU A 425 16.641 25.731 4.409 1.00 50.32 H new ATOM 0 HB3 GLU A 425 17.466 25.431 2.892 1.00 50.32 H new ATOM 0 HG2 GLU A 425 15.080 25.741 2.518 1.00 32.11 H new ATOM 0 HG3 GLU A 425 15.554 24.110 2.086 1.00 32.11 H new ATOM 1062 N ASN A 426 16.740 22.030 2.615 1.00 32.41 N ATOM 1063 CA ASN A 426 16.973 21.081 1.552 1.00 35.42 C ATOM 1064 C ASN A 426 17.108 21.798 0.231 1.00 2.30 C ATOM 1065 O ASN A 426 16.220 22.553 -0.181 1.00 10.24 O ATOM 1066 CB ASN A 426 15.878 19.990 1.479 1.00 50.32 C ATOM 1067 CG ASN A 426 14.492 20.495 1.112 1.00 54.41 C ATOM 1068 OD1 ASN A 426 14.111 20.518 -0.045 1.00 73.02 O ATOM 1069 ND2 ASN A 426 13.749 20.916 2.065 1.00 73.44 N ATOM 0 H ASN A 426 15.774 22.082 2.937 1.00 32.41 H new ATOM 0 HA ASN A 426 17.908 20.568 1.776 1.00 35.42 H new ATOM 0 HB2 ASN A 426 16.181 19.241 0.747 1.00 50.32 H new ATOM 0 HB3 ASN A 426 15.821 19.488 2.445 1.00 50.32 H new ATOM 0 HD21 ASN A 426 12.818 21.280 1.863 1.00 73.44 H new ATOM 0 HD22 ASN A 426 14.088 20.888 3.027 1.00 73.44 H new ATOM 1076 N GLU A 427 18.217 21.601 -0.411 1.00 40.22 N ATOM 1077 CA GLU A 427 18.448 22.189 -1.686 1.00 14.11 C ATOM 1078 C GLU A 427 19.419 21.346 -2.450 1.00 74.35 C ATOM 1079 O GLU A 427 20.278 20.668 -1.854 1.00 14.21 O ATOM 1080 CB GLU A 427 18.981 23.627 -1.576 1.00 52.31 C ATOM 1081 CG GLU A 427 20.360 23.752 -0.953 1.00 73.54 C ATOM 1082 CD GLU A 427 20.854 25.169 -0.953 1.00 62.13 C ATOM 1083 OE1 GLU A 427 21.320 25.647 -2.017 1.00 0.12 O ATOM 1084 OE2 GLU A 427 20.800 25.822 0.105 1.00 4.21 O ATOM 0 H GLU A 427 18.985 21.028 -0.063 1.00 40.22 H new ATOM 0 HA GLU A 427 17.493 22.237 -2.209 1.00 14.11 H new ATOM 0 HB2 GLU A 427 19.008 24.066 -2.573 1.00 52.31 H new ATOM 0 HB3 GLU A 427 18.278 24.216 -0.987 1.00 52.31 H new ATOM 0 HG2 GLU A 427 20.330 23.379 0.071 1.00 73.54 H new ATOM 0 HG3 GLU A 427 21.063 23.124 -1.500 1.00 73.54 H new ATOM 1091 N ILE A 428 19.267 21.340 -3.740 1.00 33.34 N ATOM 1092 CA ILE A 428 20.188 20.659 -4.603 1.00 4.03 C ATOM 1093 C ILE A 428 21.318 21.613 -4.878 1.00 25.54 C ATOM 1094 O ILE A 428 21.117 22.651 -5.470 1.00 3.45 O ATOM 1095 CB ILE A 428 19.519 20.239 -5.930 1.00 13.02 C ATOM 1096 CG1 ILE A 428 18.252 19.445 -5.619 1.00 75.02 C ATOM 1097 CG2 ILE A 428 20.486 19.405 -6.767 1.00 34.44 C ATOM 1098 CD1 ILE A 428 17.469 18.984 -6.831 1.00 21.45 C ATOM 0 H ILE A 428 18.501 21.807 -4.225 1.00 33.34 H new ATOM 0 HA ILE A 428 20.541 19.746 -4.123 1.00 4.03 H new ATOM 0 HB ILE A 428 19.254 21.126 -6.505 1.00 13.02 H new ATOM 0 HG12 ILE A 428 18.526 18.571 -5.028 1.00 75.02 H new ATOM 0 HG13 ILE A 428 17.601 20.059 -4.997 1.00 75.02 H new ATOM 0 HG21 ILE A 428 20.003 19.115 -7.700 1.00 34.44 H new ATOM 0 HG22 ILE A 428 21.377 19.993 -6.987 1.00 34.44 H new ATOM 0 HG23 ILE A 428 20.770 18.511 -6.212 1.00 34.44 H new ATOM 0 HD11 ILE A 428 16.588 18.430 -6.506 1.00 21.45 H new ATOM 0 HD12 ILE A 428 17.158 19.851 -7.414 1.00 21.45 H new ATOM 0 HD13 ILE A 428 18.097 18.339 -7.446 1.00 21.45 H new ATOM 1110 N VAL A 429 22.473 21.278 -4.420 1.00 73.34 N ATOM 1111 CA VAL A 429 23.609 22.150 -4.532 1.00 34.22 C ATOM 1112 C VAL A 429 24.210 22.084 -5.926 1.00 32.24 C ATOM 1113 O VAL A 429 24.393 23.109 -6.584 1.00 63.34 O ATOM 1114 CB VAL A 429 24.690 21.790 -3.482 1.00 4.15 C ATOM 1115 CG1 VAL A 429 25.882 22.719 -3.587 1.00 52.51 C ATOM 1116 CG2 VAL A 429 24.109 21.821 -2.075 1.00 11.21 C ATOM 0 H VAL A 429 22.666 20.391 -3.954 1.00 73.34 H new ATOM 0 HA VAL A 429 23.261 23.166 -4.346 1.00 34.22 H new ATOM 0 HB VAL A 429 25.032 20.776 -3.689 1.00 4.15 H new ATOM 0 HG11 VAL A 429 26.625 22.444 -2.839 1.00 52.51 H new ATOM 0 HG12 VAL A 429 26.321 22.637 -4.581 1.00 52.51 H new ATOM 0 HG13 VAL A 429 25.559 23.746 -3.417 1.00 52.51 H new ATOM 0 HG21 VAL A 429 24.886 21.565 -1.355 1.00 11.21 H new ATOM 0 HG22 VAL A 429 23.730 22.820 -1.860 1.00 11.21 H new ATOM 0 HG23 VAL A 429 23.295 21.100 -2.002 1.00 11.21 H new ATOM 1126 N SER A 430 24.481 20.885 -6.379 1.00 22.44 N ATOM 1127 CA SER A 430 25.146 20.689 -7.634 1.00 33.15 C ATOM 1128 C SER A 430 24.829 19.311 -8.175 1.00 21.21 C ATOM 1129 O SER A 430 24.560 18.381 -7.400 1.00 53.15 O ATOM 1130 CB SER A 430 26.672 20.841 -7.416 1.00 23.04 C ATOM 1131 OG SER A 430 27.425 20.623 -8.602 1.00 32.34 O ATOM 0 H SER A 430 24.246 20.023 -5.887 1.00 22.44 H new ATOM 0 HA SER A 430 24.804 21.430 -8.357 1.00 33.15 H new ATOM 0 HB2 SER A 430 26.882 21.841 -7.037 1.00 23.04 H new ATOM 0 HB3 SER A 430 26.997 20.136 -6.651 1.00 23.04 H new ATOM 0 HG SER A 430 28.379 20.733 -8.408 1.00 32.34 H new ATOM 1137 N VAL A 431 24.815 19.194 -9.488 1.00 70.05 N ATOM 1138 CA VAL A 431 24.650 17.931 -10.164 1.00 53.43 C ATOM 1139 C VAL A 431 25.639 17.901 -11.314 1.00 64.33 C ATOM 1140 O VAL A 431 25.536 18.700 -12.259 1.00 60.22 O ATOM 1141 CB VAL A 431 23.220 17.692 -10.718 1.00 24.45 C ATOM 1142 CG1 VAL A 431 23.144 16.313 -11.344 1.00 52.02 C ATOM 1143 CG2 VAL A 431 22.165 17.830 -9.633 1.00 41.11 C ATOM 0 H VAL A 431 24.920 19.987 -10.121 1.00 70.05 H new ATOM 0 HA VAL A 431 24.825 17.139 -9.435 1.00 53.43 H new ATOM 0 HB VAL A 431 23.017 18.453 -11.472 1.00 24.45 H new ATOM 0 HG11 VAL A 431 22.140 16.145 -11.733 1.00 52.02 H new ATOM 0 HG12 VAL A 431 23.865 16.243 -12.158 1.00 52.02 H new ATOM 0 HG13 VAL A 431 23.372 15.559 -10.591 1.00 52.02 H new ATOM 0 HG21 VAL A 431 21.178 17.655 -10.061 1.00 41.11 H new ATOM 0 HG22 VAL A 431 22.354 17.099 -8.847 1.00 41.11 H new ATOM 0 HG23 VAL A 431 22.205 18.835 -9.212 1.00 41.11 H new ATOM 1153 N LEU A 432 26.589 17.015 -11.245 1.00 24.33 N ATOM 1154 CA LEU A 432 27.642 16.980 -12.230 1.00 15.11 C ATOM 1155 C LEU A 432 27.693 15.636 -12.956 1.00 20.31 C ATOM 1156 O LEU A 432 27.728 14.571 -12.318 1.00 64.13 O ATOM 1157 CB LEU A 432 28.980 17.251 -11.537 1.00 54.13 C ATOM 1158 CG LEU A 432 30.206 17.348 -12.433 1.00 13.14 C ATOM 1159 CD1 LEU A 432 30.091 18.537 -13.369 1.00 1.34 C ATOM 1160 CD2 LEU A 432 31.466 17.440 -11.597 1.00 33.21 C ATOM 0 H LEU A 432 26.661 16.304 -10.517 1.00 24.33 H new ATOM 0 HA LEU A 432 27.441 17.747 -12.978 1.00 15.11 H new ATOM 0 HB2 LEU A 432 28.892 18.183 -10.979 1.00 54.13 H new ATOM 0 HB3 LEU A 432 29.153 16.459 -10.809 1.00 54.13 H new ATOM 0 HG LEU A 432 30.264 16.444 -13.040 1.00 13.14 H new ATOM 0 HD11 LEU A 432 30.977 18.589 -14.001 1.00 1.34 H new ATOM 0 HD12 LEU A 432 29.205 18.424 -13.994 1.00 1.34 H new ATOM 0 HD13 LEU A 432 30.008 19.453 -12.785 1.00 1.34 H new ATOM 0 HD21 LEU A 432 32.334 17.509 -12.253 1.00 33.21 H new ATOM 0 HD22 LEU A 432 31.419 18.326 -10.964 1.00 33.21 H new ATOM 0 HD23 LEU A 432 31.553 16.552 -10.972 1.00 33.21 H new ATOM 1172 N GLU A 433 27.701 15.677 -14.280 1.00 52.24 N ATOM 1173 CA GLU A 433 27.824 14.472 -15.069 1.00 32.43 C ATOM 1174 C GLU A 433 29.316 14.210 -15.344 1.00 20.22 C ATOM 1175 O GLU A 433 29.828 14.464 -16.444 1.00 22.33 O ATOM 1176 CB GLU A 433 27.041 14.577 -16.394 1.00 54.30 C ATOM 1177 CG GLU A 433 26.970 13.273 -17.191 1.00 4.24 C ATOM 1178 CD GLU A 433 26.340 13.454 -18.560 1.00 15.12 C ATOM 1179 OE1 GLU A 433 25.099 13.536 -18.664 1.00 74.22 O ATOM 1180 OE2 GLU A 433 27.084 13.516 -19.542 1.00 70.10 O ATOM 0 H GLU A 433 27.623 16.535 -14.826 1.00 52.24 H new ATOM 0 HA GLU A 433 27.396 13.640 -14.510 1.00 32.43 H new ATOM 0 HB2 GLU A 433 26.027 14.912 -16.177 1.00 54.30 H new ATOM 0 HB3 GLU A 433 27.503 15.344 -17.015 1.00 54.30 H new ATOM 0 HG2 GLU A 433 27.976 12.870 -17.309 1.00 4.24 H new ATOM 0 HG3 GLU A 433 26.396 12.538 -16.626 1.00 4.24 H new ATOM 1187 N ALA A 434 30.021 13.791 -14.316 1.00 61.01 N ATOM 1188 CA ALA A 434 31.449 13.507 -14.432 1.00 10.41 C ATOM 1189 C ALA A 434 31.670 12.015 -14.541 1.00 72.41 C ATOM 1190 O ALA A 434 32.746 11.543 -14.913 1.00 53.42 O ATOM 1191 CB ALA A 434 32.195 14.069 -13.237 1.00 73.42 C ATOM 0 H ALA A 434 29.634 13.637 -13.385 1.00 61.01 H new ATOM 0 HA ALA A 434 31.834 13.985 -15.333 1.00 10.41 H new ATOM 0 HB1 ALA A 434 33.258 13.850 -13.336 1.00 73.42 H new ATOM 0 HB2 ALA A 434 32.049 15.148 -13.192 1.00 73.42 H new ATOM 0 HB3 ALA A 434 31.814 13.613 -12.323 1.00 73.42 H new ATOM 1197 N GLN A 435 30.647 11.288 -14.208 1.00 32.03 N ATOM 1198 CA GLN A 435 30.652 9.856 -14.278 1.00 51.14 C ATOM 1199 C GLN A 435 29.916 9.443 -15.533 1.00 61.03 C ATOM 1200 O GLN A 435 29.374 10.312 -16.228 1.00 3.30 O ATOM 1201 CB GLN A 435 30.020 9.292 -13.020 1.00 73.25 C ATOM 1202 CG GLN A 435 30.819 9.613 -11.757 1.00 54.10 C ATOM 1203 CD GLN A 435 30.122 9.193 -10.479 1.00 44.12 C ATOM 1204 OE1 GLN A 435 28.817 9.289 -10.460 1.00 70.33 O flip ATOM 1205 NE2 GLN A 435 30.767 8.838 -9.494 1.00 74.44 N flip ATOM 0 H GLN A 435 29.767 11.680 -13.873 1.00 32.03 H new ATOM 0 HA GLN A 435 31.666 9.460 -14.332 1.00 51.14 H new ATOM 0 HB2 GLN A 435 29.011 9.691 -12.916 1.00 73.25 H new ATOM 0 HB3 GLN A 435 29.927 8.211 -13.120 1.00 73.25 H new ATOM 0 HG2 GLN A 435 31.788 9.117 -11.813 1.00 54.10 H new ATOM 0 HG3 GLN A 435 31.012 10.685 -11.721 1.00 54.10 H new ATOM 0 HE21 GLN A 435 31.784 8.775 -9.546 1.00 74.44 H new ATOM 0 HE22 GLN A 435 30.285 8.607 -8.625 1.00 74.44 H new ATOM 1214 N LYS A 436 29.899 8.156 -15.838 1.00 11.13 N ATOM 1215 CA LYS A 436 29.309 7.669 -17.091 1.00 4.15 C ATOM 1216 C LYS A 436 27.771 7.835 -17.114 1.00 51.13 C ATOM 1217 O LYS A 436 27.023 6.927 -16.776 1.00 55.15 O ATOM 1218 CB LYS A 436 29.769 6.210 -17.422 1.00 72.43 C ATOM 1219 CG LYS A 436 29.151 5.043 -16.599 1.00 62.24 C ATOM 1220 CD LYS A 436 29.278 5.163 -15.082 1.00 63.42 C ATOM 1221 CE LYS A 436 28.667 3.929 -14.418 1.00 0.25 C ATOM 1222 NZ LYS A 436 28.768 3.966 -12.951 1.00 71.53 N ATOM 0 H LYS A 436 30.284 7.424 -15.241 1.00 11.13 H new ATOM 0 HA LYS A 436 29.691 8.300 -17.894 1.00 4.15 H new ATOM 0 HB2 LYS A 436 29.557 6.024 -18.475 1.00 72.43 H new ATOM 0 HB3 LYS A 436 30.851 6.166 -17.302 1.00 72.43 H new ATOM 0 HG2 LYS A 436 28.094 4.965 -16.852 1.00 62.24 H new ATOM 0 HG3 LYS A 436 29.623 4.112 -16.912 1.00 62.24 H new ATOM 0 HD2 LYS A 436 30.327 5.258 -14.801 1.00 63.42 H new ATOM 0 HD3 LYS A 436 28.772 6.064 -14.735 1.00 63.42 H new ATOM 0 HE2 LYS A 436 27.618 3.849 -14.704 1.00 0.25 H new ATOM 0 HE3 LYS A 436 29.168 3.035 -14.790 1.00 0.25 H new ATOM 0 HZ1 LYS A 436 28.629 3.009 -12.569 1.00 71.53 H new ATOM 0 HZ2 LYS A 436 29.708 4.315 -12.676 1.00 71.53 H new ATOM 0 HZ3 LYS A 436 28.038 4.600 -12.569 1.00 71.53 H new ATOM 1236 N CYS A 437 27.317 9.049 -17.446 1.00 53.14 N ATOM 1237 CA CYS A 437 25.897 9.394 -17.387 1.00 44.31 C ATOM 1238 C CYS A 437 25.336 9.163 -15.980 1.00 52.53 C ATOM 1239 O CYS A 437 24.134 9.053 -15.775 1.00 10.53 O ATOM 1240 CB CYS A 437 25.099 8.667 -18.477 1.00 35.55 C ATOM 1241 SG CYS A 437 25.409 9.329 -20.158 1.00 41.22 S ATOM 0 H CYS A 437 27.918 9.811 -17.760 1.00 53.14 H new ATOM 0 HA CYS A 437 25.792 10.459 -17.594 1.00 44.31 H new ATOM 0 HB2 CYS A 437 25.352 7.607 -18.458 1.00 35.55 H new ATOM 0 HB3 CYS A 437 24.035 8.745 -18.253 1.00 35.55 H new ATOM 1246 N GLU A 438 26.236 9.141 -15.012 1.00 24.23 N ATOM 1247 CA GLU A 438 25.886 8.993 -13.646 1.00 54.12 C ATOM 1248 C GLU A 438 26.103 10.338 -13.000 1.00 54.45 C ATOM 1249 O GLU A 438 27.222 10.879 -13.012 1.00 35.32 O ATOM 1250 CB GLU A 438 26.715 7.893 -12.972 1.00 1.30 C ATOM 1251 CG GLU A 438 26.257 7.573 -11.553 1.00 43.24 C ATOM 1252 CD GLU A 438 26.988 6.404 -10.956 1.00 11.01 C ATOM 1253 OE1 GLU A 438 26.896 5.287 -11.506 1.00 53.53 O ATOM 1254 OE2 GLU A 438 27.695 6.580 -9.952 1.00 53.22 O ATOM 0 H GLU A 438 27.239 9.228 -15.175 1.00 24.23 H new ATOM 0 HA GLU A 438 24.847 8.682 -13.540 1.00 54.12 H new ATOM 0 HB2 GLU A 438 26.662 6.987 -13.576 1.00 1.30 H new ATOM 0 HB3 GLU A 438 27.761 8.200 -12.948 1.00 1.30 H new ATOM 0 HG2 GLU A 438 26.405 8.449 -10.922 1.00 43.24 H new ATOM 0 HG3 GLU A 438 25.188 7.362 -11.560 1.00 43.24 H new ATOM 1261 N TYR A 439 25.062 10.869 -12.462 1.00 20.54 N ATOM 1262 CA TYR A 439 25.043 12.223 -11.997 1.00 63.32 C ATOM 1263 C TYR A 439 25.360 12.341 -10.529 1.00 62.42 C ATOM 1264 O TYR A 439 24.727 11.702 -9.687 1.00 53.40 O ATOM 1265 CB TYR A 439 23.678 12.846 -12.328 1.00 4.14 C ATOM 1266 CG TYR A 439 23.405 12.881 -13.810 1.00 25.54 C ATOM 1267 CD1 TYR A 439 22.855 11.784 -14.450 1.00 41.34 C ATOM 1268 CD2 TYR A 439 23.717 13.994 -14.571 1.00 61.23 C ATOM 1269 CE1 TYR A 439 22.626 11.788 -15.800 1.00 51.12 C ATOM 1270 CE2 TYR A 439 23.481 14.006 -15.930 1.00 14.14 C ATOM 1271 CZ TYR A 439 22.936 12.893 -16.535 1.00 30.34 C ATOM 1272 OH TYR A 439 22.726 12.885 -17.895 1.00 1.11 O ATOM 0 H TYR A 439 24.182 10.372 -12.328 1.00 20.54 H new ATOM 0 HA TYR A 439 25.832 12.771 -12.512 1.00 63.32 H new ATOM 0 HB2 TYR A 439 22.892 12.278 -11.830 1.00 4.14 H new ATOM 0 HB3 TYR A 439 23.639 13.860 -11.930 1.00 4.14 H new ATOM 0 HD1 TYR A 439 22.601 10.907 -13.873 1.00 41.34 H new ATOM 0 HD2 TYR A 439 24.150 14.862 -14.096 1.00 61.23 H new ATOM 0 HE1 TYR A 439 22.201 10.919 -16.280 1.00 51.12 H new ATOM 0 HE2 TYR A 439 23.721 14.881 -16.516 1.00 14.14 H new ATOM 0 HH TYR A 439 23.467 13.344 -18.343 1.00 1.11 H new ATOM 1282 N LEU A 440 26.360 13.151 -10.246 1.00 12.31 N ATOM 1283 CA LEU A 440 26.783 13.453 -8.887 1.00 71.00 C ATOM 1284 C LEU A 440 25.828 14.460 -8.328 1.00 32.02 C ATOM 1285 O LEU A 440 25.788 15.583 -8.808 1.00 73.30 O ATOM 1286 CB LEU A 440 28.186 14.083 -8.897 1.00 43.31 C ATOM 1287 CG LEU A 440 29.334 13.240 -9.444 1.00 63.01 C ATOM 1288 CD1 LEU A 440 30.599 14.077 -9.527 1.00 44.43 C ATOM 1289 CD2 LEU A 440 29.575 12.043 -8.553 1.00 71.24 C ATOM 0 H LEU A 440 26.911 13.626 -10.961 1.00 12.31 H new ATOM 0 HA LEU A 440 26.801 12.538 -8.294 1.00 71.00 H new ATOM 0 HB2 LEU A 440 28.137 15.003 -9.480 1.00 43.31 H new ATOM 0 HB3 LEU A 440 28.435 14.366 -7.874 1.00 43.31 H new ATOM 0 HG LEU A 440 29.066 12.892 -10.442 1.00 63.01 H new ATOM 0 HD11 LEU A 440 31.414 13.468 -9.918 1.00 44.43 H new ATOM 0 HD12 LEU A 440 30.431 14.926 -10.189 1.00 44.43 H new ATOM 0 HD13 LEU A 440 30.862 14.439 -8.533 1.00 44.43 H new ATOM 0 HD21 LEU A 440 30.397 11.450 -8.955 1.00 71.24 H new ATOM 0 HD22 LEU A 440 29.829 12.382 -7.549 1.00 71.24 H new ATOM 0 HD23 LEU A 440 28.673 11.432 -8.512 1.00 71.24 H new ATOM 1301 N ILE A 441 25.050 14.084 -7.358 1.00 61.04 N ATOM 1302 CA ILE A 441 24.082 14.994 -6.817 1.00 61.23 C ATOM 1303 C ILE A 441 24.503 15.433 -5.431 1.00 74.52 C ATOM 1304 O ILE A 441 24.771 14.604 -4.558 1.00 45.30 O ATOM 1305 CB ILE A 441 22.657 14.369 -6.738 1.00 51.21 C ATOM 1306 CG1 ILE A 441 22.289 13.715 -8.076 1.00 54.21 C ATOM 1307 CG2 ILE A 441 21.625 15.432 -6.348 1.00 34.03 C ATOM 1308 CD1 ILE A 441 20.873 13.193 -8.162 1.00 43.31 C ATOM 0 H ILE A 441 25.065 13.160 -6.926 1.00 61.04 H new ATOM 0 HA ILE A 441 24.038 15.848 -7.492 1.00 61.23 H new ATOM 0 HB ILE A 441 22.656 13.598 -5.967 1.00 51.21 H new ATOM 0 HG12 ILE A 441 22.441 14.442 -8.873 1.00 54.21 H new ATOM 0 HG13 ILE A 441 22.977 12.890 -8.262 1.00 54.21 H new ATOM 0 HG21 ILE A 441 20.636 14.977 -6.298 1.00 34.03 H new ATOM 0 HG22 ILE A 441 21.883 15.849 -5.375 1.00 34.03 H new ATOM 0 HG23 ILE A 441 21.622 16.227 -7.094 1.00 34.03 H new ATOM 0 HD11 ILE A 441 20.708 12.749 -9.144 1.00 43.31 H new ATOM 0 HD12 ILE A 441 20.716 12.438 -7.392 1.00 43.31 H new ATOM 0 HD13 ILE A 441 20.173 14.015 -8.013 1.00 43.31 H new ATOM 1320 N LYS A 442 24.596 16.712 -5.246 1.00 51.41 N ATOM 1321 CA LYS A 442 24.866 17.285 -3.961 1.00 33.33 C ATOM 1322 C LYS A 442 23.639 17.902 -3.412 1.00 35.40 C ATOM 1323 O LYS A 442 22.949 18.651 -4.096 1.00 14.32 O ATOM 1324 CB LYS A 442 25.948 18.355 -4.008 1.00 12.05 C ATOM 1325 CG LYS A 442 27.366 17.863 -4.074 1.00 74.11 C ATOM 1326 CD LYS A 442 27.702 17.031 -2.846 1.00 11.21 C ATOM 1327 CE LYS A 442 29.194 16.882 -2.672 1.00 21.40 C ATOM 1328 NZ LYS A 442 29.821 18.195 -2.387 1.00 53.45 N ATOM 0 H LYS A 442 24.485 17.399 -5.992 1.00 51.41 H new ATOM 0 HA LYS A 442 25.215 16.468 -3.329 1.00 33.33 H new ATOM 0 HB2 LYS A 442 25.765 18.989 -4.875 1.00 12.05 H new ATOM 0 HB3 LYS A 442 25.845 18.985 -3.125 1.00 12.05 H new ATOM 0 HG2 LYS A 442 27.508 17.265 -4.975 1.00 74.11 H new ATOM 0 HG3 LYS A 442 28.048 18.711 -4.143 1.00 74.11 H new ATOM 0 HD2 LYS A 442 27.276 17.500 -1.959 1.00 11.21 H new ATOM 0 HD3 LYS A 442 27.245 16.046 -2.936 1.00 11.21 H new ATOM 0 HE2 LYS A 442 29.403 16.189 -1.857 1.00 21.40 H new ATOM 0 HE3 LYS A 442 29.630 16.453 -3.575 1.00 21.40 H new ATOM 0 HZ1 LYS A 442 30.675 18.054 -1.811 1.00 53.45 H new ATOM 0 HZ2 LYS A 442 30.079 18.658 -3.282 1.00 53.45 H new ATOM 0 HZ3 LYS A 442 29.149 18.795 -1.868 1.00 53.45 H new ATOM 1342 N MET A 443 23.363 17.597 -2.202 1.00 62.11 N ATOM 1343 CA MET A 443 22.276 18.195 -1.496 1.00 54.24 C ATOM 1344 C MET A 443 22.683 18.469 -0.103 1.00 73.13 C ATOM 1345 O MET A 443 23.741 18.028 0.346 1.00 23.01 O ATOM 1346 CB MET A 443 21.020 17.325 -1.458 1.00 55.00 C ATOM 1347 CG MET A 443 20.303 17.136 -2.769 1.00 43.54 C ATOM 1348 SD MET A 443 18.749 16.266 -2.551 1.00 11.43 S ATOM 1349 CE MET A 443 17.895 17.386 -1.418 1.00 43.31 C ATOM 0 H MET A 443 23.889 16.914 -1.657 1.00 62.11 H new ATOM 0 HA MET A 443 22.031 19.110 -2.036 1.00 54.24 H new ATOM 0 HB2 MET A 443 21.295 16.343 -1.073 1.00 55.00 H new ATOM 0 HB3 MET A 443 20.321 17.763 -0.745 1.00 55.00 H new ATOM 0 HG2 MET A 443 20.116 18.108 -3.226 1.00 43.54 H new ATOM 0 HG3 MET A 443 20.940 16.578 -3.456 1.00 43.54 H new ATOM 0 HE1 MET A 443 16.872 17.041 -1.268 1.00 43.31 H new ATOM 0 HE2 MET A 443 18.416 17.403 -0.461 1.00 43.31 H new ATOM 0 HE3 MET A 443 17.881 18.390 -1.841 1.00 43.31 H new ATOM 1359 N LYS A 444 21.868 19.184 0.573 1.00 21.41 N ATOM 1360 CA LYS A 444 22.046 19.443 1.950 1.00 3.11 C ATOM 1361 C LYS A 444 20.708 19.668 2.581 1.00 52.20 C ATOM 1362 O LYS A 444 19.816 20.193 1.941 1.00 74.30 O ATOM 1363 CB LYS A 444 23.033 20.584 2.199 1.00 24.10 C ATOM 1364 CG LYS A 444 22.741 21.894 1.540 1.00 63.55 C ATOM 1365 CD LYS A 444 23.942 22.771 1.739 1.00 22.13 C ATOM 1366 CE LYS A 444 23.731 24.171 1.218 1.00 20.35 C ATOM 1367 NZ LYS A 444 24.920 25.014 1.432 1.00 52.11 N ATOM 0 H LYS A 444 21.035 19.618 0.174 1.00 21.41 H new ATOM 0 HA LYS A 444 22.502 18.575 2.425 1.00 3.11 H new ATOM 0 HB2 LYS A 444 23.091 20.752 3.274 1.00 24.10 H new ATOM 0 HB3 LYS A 444 24.020 20.254 1.874 1.00 24.10 H new ATOM 0 HG2 LYS A 444 22.540 21.753 0.478 1.00 63.55 H new ATOM 0 HG3 LYS A 444 21.853 22.353 1.975 1.00 63.55 H new ATOM 0 HD2 LYS A 444 24.183 22.815 2.801 1.00 22.13 H new ATOM 0 HD3 LYS A 444 24.800 22.325 1.236 1.00 22.13 H new ATOM 0 HE2 LYS A 444 23.498 24.133 0.154 1.00 20.35 H new ATOM 0 HE3 LYS A 444 22.872 24.620 1.716 1.00 20.35 H new ATOM 0 HZ1 LYS A 444 24.740 25.969 1.062 1.00 52.11 H new ATOM 0 HZ2 LYS A 444 25.127 25.070 2.450 1.00 52.11 H new ATOM 0 HZ3 LYS A 444 25.734 24.599 0.936 1.00 52.11 H new ATOM 1381 N SER A 445 20.544 19.177 3.784 1.00 64.11 N ATOM 1382 CA SER A 445 19.307 19.287 4.533 1.00 65.32 C ATOM 1383 C SER A 445 19.659 19.154 6.007 1.00 43.31 C ATOM 1384 O SER A 445 20.585 18.412 6.332 1.00 4.22 O ATOM 1385 CB SER A 445 18.361 18.135 4.135 1.00 35.34 C ATOM 1386 OG SER A 445 18.140 18.114 2.739 1.00 23.14 O ATOM 0 H SER A 445 21.279 18.678 4.285 1.00 64.11 H new ATOM 0 HA SER A 445 18.815 20.238 4.330 1.00 65.32 H new ATOM 0 HB2 SER A 445 18.788 17.184 4.452 1.00 35.34 H new ATOM 0 HB3 SER A 445 17.409 18.246 4.655 1.00 35.34 H new ATOM 0 HG SER A 445 17.539 17.374 2.514 1.00 23.14 H new ATOM 1392 N PRO A 446 18.964 19.859 6.915 1.00 63.45 N ATOM 1393 CA PRO A 446 19.250 19.776 8.365 1.00 24.43 C ATOM 1394 C PRO A 446 18.954 18.385 8.913 1.00 14.21 C ATOM 1395 O PRO A 446 19.629 17.899 9.815 1.00 63.24 O ATOM 1396 CB PRO A 446 18.289 20.807 8.981 1.00 23.02 C ATOM 1397 CG PRO A 446 17.214 20.987 7.963 1.00 41.44 C ATOM 1398 CD PRO A 446 17.875 20.810 6.626 1.00 13.23 C ATOM 0 HA PRO A 446 20.298 19.969 8.592 1.00 24.43 H new ATOM 0 HB2 PRO A 446 17.881 20.451 9.927 1.00 23.02 H new ATOM 0 HB3 PRO A 446 18.799 21.748 9.188 1.00 23.02 H new ATOM 0 HG2 PRO A 446 16.417 20.257 8.104 1.00 41.44 H new ATOM 0 HG3 PRO A 446 16.760 21.974 8.046 1.00 41.44 H new ATOM 0 HD2 PRO A 446 17.182 20.416 5.883 1.00 13.23 H new ATOM 0 HD3 PRO A 446 18.257 21.754 6.237 1.00 13.23 H new