USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 513 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 426 ASN : amide:sc= 1.1 K(o=2.3,f=-2.7) USER MOD Set 1.2: A 445 SER OG : rot 82:sc= 1.15 USER MOD Set 2.1: A 406 GLN : amide:sc= -0.033 K(o=0.18,f=-2.8!) USER MOD Set 2.2: A 407 SER OG : rot 31:sc= 0.212 USER MOD Set 3.1: A 374 TYR OH : rot 180:sc= -0.544 USER MOD Set 3.2: A 384 GLN : amide:sc= 0.0515 X(o=-0.49,f=-0.54) USER MOD Single : A 365 THR OG1 : rot 27:sc= 0.071 USER MOD Single : A 366 LYS NZ :NH3+ -177:sc=-0.00889 (180deg=-0.0493) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.3!) USER MOD Single : A 386 SER OG : rot 83:sc= 1.25 USER MOD Single : A 391 ASN :FLIP amide:sc= -0.106 F(o=-1.7!,f=-0.11) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= -1.97! C(o=-2!,f=-7!) USER MOD Single : A 398 ASN : amide:sc= 1.24 K(o=1.2,f=-4!) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 TYR OH : rot -70:sc= -0.642 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 413 HIS : no HE2:sc= -0.645 K(o=-0.64,f=-1.3) USER MOD Single : A 415 SER OG : rot -33:sc= 0.332 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.006 USER MOD Single : A 422 CYS SG : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= 0.504 K(o=0.5,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 163:sc= -0.862! (180deg=-2.34!) USER MOD Single : A 437 CYS SG : rot 180:sc= 0 USER MOD Single : A 439 TYR OH : rot -81:sc= 0.188 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 161:sc= -1 (180deg=-2.8!) USER MOD Single : A 444 LYS NZ :NH3+ -142:sc= 1.26 (180deg=-0.158) USER MOD ----------------------------------------------------------------- ATOM 131 N THR A 365 8.680 -2.719 -1.343 1.00 13.20 N ATOM 132 CA THR A 365 8.605 -2.966 0.066 1.00 4.12 C ATOM 133 C THR A 365 7.568 -4.073 0.297 1.00 62.51 C ATOM 134 O THR A 365 6.413 -3.925 -0.090 1.00 1.01 O ATOM 135 CB THR A 365 8.230 -1.673 0.818 1.00 51.22 C ATOM 136 OG1 THR A 365 9.233 -0.670 0.565 1.00 11.43 O ATOM 137 CG2 THR A 365 8.105 -1.919 2.311 1.00 4.43 C ATOM 0 HA THR A 365 9.572 -3.289 0.451 1.00 4.12 H new ATOM 0 HB THR A 365 7.261 -1.329 0.456 1.00 51.22 H new ATOM 0 HG1 THR A 365 9.653 -0.839 -0.304 1.00 11.43 H new ATOM 0 HG21 THR A 365 7.840 -0.988 2.812 1.00 4.43 H new ATOM 0 HG22 THR A 365 7.330 -2.663 2.493 1.00 4.43 H new ATOM 0 HG23 THR A 365 9.056 -2.283 2.701 1.00 4.43 H new ATOM 143 N LYS A 366 7.982 -5.174 0.896 1.00 11.11 N ATOM 144 CA LYS A 366 7.112 -6.321 1.042 1.00 34.42 C ATOM 145 C LYS A 366 7.178 -6.961 2.420 1.00 43.51 C ATOM 146 O LYS A 366 8.234 -6.994 3.055 1.00 75.52 O ATOM 147 CB LYS A 366 7.398 -7.323 -0.068 1.00 73.13 C ATOM 148 CG LYS A 366 8.838 -7.779 -0.164 1.00 13.32 C ATOM 149 CD LYS A 366 9.090 -8.444 -1.501 1.00 11.12 C ATOM 150 CE LYS A 366 8.225 -9.675 -1.733 1.00 44.20 C ATOM 151 NZ LYS A 366 8.493 -10.750 -0.751 1.00 73.41 N ATOM 0 H LYS A 366 8.915 -5.296 1.289 1.00 11.11 H new ATOM 0 HA LYS A 366 6.085 -5.968 0.948 1.00 34.42 H new ATOM 0 HB2 LYS A 366 6.765 -8.198 0.081 1.00 73.13 H new ATOM 0 HB3 LYS A 366 7.109 -6.879 -1.021 1.00 73.13 H new ATOM 0 HG2 LYS A 366 9.506 -6.926 -0.043 1.00 13.32 H new ATOM 0 HG3 LYS A 366 9.061 -8.476 0.644 1.00 13.32 H new ATOM 0 HD2 LYS A 366 8.906 -7.723 -2.298 1.00 11.12 H new ATOM 0 HD3 LYS A 366 10.140 -8.729 -1.565 1.00 11.12 H new ATOM 0 HE2 LYS A 366 7.174 -9.392 -1.679 1.00 44.20 H new ATOM 0 HE3 LYS A 366 8.401 -10.055 -2.739 1.00 44.20 H new ATOM 0 HZ1 LYS A 366 7.916 -11.584 -0.983 1.00 73.41 H new ATOM 0 HZ2 LYS A 366 9.500 -11.006 -0.783 1.00 73.41 H new ATOM 0 HZ3 LYS A 366 8.251 -10.416 0.204 1.00 73.41 H new ATOM 165 N ARG A 367 6.035 -7.447 2.877 1.00 14.32 N ATOM 166 CA ARG A 367 5.899 -8.068 4.186 1.00 20.14 C ATOM 167 C ARG A 367 4.683 -8.992 4.125 1.00 34.42 C ATOM 168 O ARG A 367 3.648 -8.618 3.583 1.00 41.21 O ATOM 169 CB ARG A 367 5.732 -6.932 5.234 1.00 2.12 C ATOM 170 CG ARG A 367 5.772 -7.281 6.743 1.00 4.03 C ATOM 171 CD ARG A 367 4.538 -7.973 7.293 1.00 14.30 C ATOM 172 NE ARG A 367 4.547 -7.962 8.778 1.00 74.31 N ATOM 173 CZ ARG A 367 3.659 -8.580 9.583 1.00 74.44 C ATOM 174 NH1 ARG A 367 2.857 -9.514 9.112 1.00 34.33 N ATOM 175 NH2 ARG A 367 3.638 -8.302 10.879 1.00 12.21 N ATOM 0 H ARG A 367 5.166 -7.421 2.344 1.00 14.32 H new ATOM 0 HA ARG A 367 6.768 -8.661 4.471 1.00 20.14 H new ATOM 0 HB2 ARG A 367 6.514 -6.196 5.047 1.00 2.12 H new ATOM 0 HB3 ARG A 367 4.779 -6.441 5.036 1.00 2.12 H new ATOM 0 HG2 ARG A 367 6.636 -7.920 6.926 1.00 4.03 H new ATOM 0 HG3 ARG A 367 5.931 -6.361 7.306 1.00 4.03 H new ATOM 0 HD2 ARG A 367 3.641 -7.474 6.926 1.00 14.30 H new ATOM 0 HD3 ARG A 367 4.500 -9.001 6.932 1.00 14.30 H new ATOM 0 HE ARG A 367 5.295 -7.438 9.232 1.00 74.31 H new ATOM 0 HH11 ARG A 367 2.903 -9.777 8.128 1.00 34.33 H new ATOM 0 HH12 ARG A 367 2.190 -9.974 9.732 1.00 34.33 H new ATOM 0 HH21 ARG A 367 4.293 -7.622 11.265 1.00 12.21 H new ATOM 0 HH22 ARG A 367 2.967 -8.768 11.490 1.00 12.21 H new ATOM 187 N GLU A 368 4.817 -10.176 4.652 1.00 73.42 N ATOM 188 CA GLU A 368 3.741 -11.172 4.605 1.00 62.51 C ATOM 189 C GLU A 368 2.823 -10.970 5.755 1.00 72.32 C ATOM 190 O GLU A 368 3.268 -10.887 6.887 1.00 62.02 O ATOM 191 CB GLU A 368 4.292 -12.586 4.621 1.00 11.24 C ATOM 192 CG GLU A 368 5.132 -12.938 3.420 1.00 12.13 C ATOM 193 CD GLU A 368 5.679 -14.331 3.512 1.00 63.22 C ATOM 194 OE1 GLU A 368 4.975 -15.291 3.131 1.00 34.03 O ATOM 195 OE2 GLU A 368 6.822 -14.493 3.972 1.00 62.04 O ATOM 0 H GLU A 368 5.662 -10.493 5.127 1.00 73.42 H new ATOM 0 HA GLU A 368 3.194 -11.039 3.672 1.00 62.51 H new ATOM 0 HB2 GLU A 368 4.892 -12.719 5.521 1.00 11.24 H new ATOM 0 HB3 GLU A 368 3.460 -13.287 4.686 1.00 11.24 H new ATOM 0 HG2 GLU A 368 4.531 -12.842 2.516 1.00 12.13 H new ATOM 0 HG3 GLU A 368 5.955 -12.229 3.332 1.00 12.13 H new ATOM 202 N ILE A 369 1.549 -10.878 5.479 1.00 43.22 N ATOM 203 CA ILE A 369 0.575 -10.585 6.487 1.00 72.50 C ATOM 204 C ILE A 369 -0.540 -11.558 6.327 1.00 51.22 C ATOM 205 O ILE A 369 -1.134 -11.632 5.269 1.00 1.33 O ATOM 206 CB ILE A 369 0.040 -9.146 6.294 1.00 41.44 C ATOM 207 CG1 ILE A 369 1.215 -8.187 6.235 1.00 41.02 C ATOM 208 CG2 ILE A 369 -0.887 -8.758 7.446 1.00 64.10 C ATOM 209 CD1 ILE A 369 0.865 -6.796 5.868 1.00 63.51 C ATOM 0 H ILE A 369 1.160 -11.005 4.545 1.00 43.22 H new ATOM 0 HA ILE A 369 1.015 -10.661 7.481 1.00 72.50 H new ATOM 0 HB ILE A 369 -0.528 -9.097 5.365 1.00 41.44 H new ATOM 0 HG12 ILE A 369 1.707 -8.178 7.207 1.00 41.02 H new ATOM 0 HG13 ILE A 369 1.939 -8.566 5.514 1.00 41.02 H new ATOM 0 HG21 ILE A 369 -1.253 -7.743 7.292 1.00 64.10 H new ATOM 0 HG22 ILE A 369 -1.731 -9.447 7.481 1.00 64.10 H new ATOM 0 HG23 ILE A 369 -0.339 -8.807 8.387 1.00 64.10 H new ATOM 0 HD11 ILE A 369 1.768 -6.186 5.852 1.00 63.51 H new ATOM 0 HD12 ILE A 369 0.402 -6.786 4.881 1.00 63.51 H new ATOM 0 HD13 ILE A 369 0.167 -6.391 6.601 1.00 63.51 H new ATOM 216 N GLY A 370 -0.779 -12.351 7.339 1.00 2.34 N ATOM 217 CA GLY A 370 -1.836 -13.334 7.270 1.00 73.53 C ATOM 218 C GLY A 370 -1.560 -14.418 6.242 1.00 1.21 C ATOM 219 O GLY A 370 -2.464 -15.161 5.851 1.00 2.41 O ATOM 0 H GLY A 370 -0.261 -12.338 8.218 1.00 2.34 H new ATOM 0 HA2 GLY A 370 -1.965 -13.793 8.250 1.00 73.53 H new ATOM 0 HA3 GLY A 370 -2.774 -12.836 7.025 1.00 73.53 H new ATOM 223 N GLY A 371 -0.319 -14.498 5.782 1.00 75.45 N ATOM 224 CA GLY A 371 0.051 -15.506 4.837 1.00 2.24 C ATOM 225 C GLY A 371 0.315 -14.954 3.468 1.00 33.52 C ATOM 226 O GLY A 371 1.060 -15.542 2.680 1.00 32.15 O ATOM 0 H GLY A 371 0.438 -13.871 6.056 1.00 75.45 H new ATOM 0 HA2 GLY A 371 0.943 -16.021 5.194 1.00 2.24 H new ATOM 0 HA3 GLY A 371 -0.744 -16.249 4.776 1.00 2.24 H new ATOM 230 N TYR A 372 -0.268 -13.831 3.181 1.00 2.12 N ATOM 231 CA TYR A 372 -0.121 -13.236 1.895 1.00 30.21 C ATOM 232 C TYR A 372 0.929 -12.149 1.916 1.00 24.24 C ATOM 233 O TYR A 372 0.992 -11.348 2.848 1.00 51.00 O ATOM 234 CB TYR A 372 -1.478 -12.754 1.342 1.00 44.02 C ATOM 235 CG TYR A 372 -2.299 -11.922 2.296 1.00 42.30 C ATOM 236 CD1 TYR A 372 -2.063 -10.580 2.456 1.00 25.10 C ATOM 237 CD2 TYR A 372 -3.326 -12.496 3.035 1.00 44.13 C ATOM 238 CE1 TYR A 372 -2.813 -9.829 3.322 1.00 13.43 C ATOM 239 CE2 TYR A 372 -4.083 -11.744 3.905 1.00 10.14 C ATOM 240 CZ TYR A 372 -3.819 -10.408 4.042 1.00 64.22 C ATOM 241 OH TYR A 372 -4.566 -9.642 4.913 1.00 61.42 O ATOM 0 H TYR A 372 -0.855 -13.306 3.829 1.00 2.12 H new ATOM 0 HA TYR A 372 0.237 -13.998 1.202 1.00 30.21 H new ATOM 0 HB2 TYR A 372 -1.298 -12.171 0.438 1.00 44.02 H new ATOM 0 HB3 TYR A 372 -2.063 -13.625 1.048 1.00 44.02 H new ATOM 0 HD1 TYR A 372 -1.273 -10.108 1.890 1.00 25.10 H new ATOM 0 HD2 TYR A 372 -3.534 -13.550 2.925 1.00 44.13 H new ATOM 0 HE1 TYR A 372 -2.608 -8.775 3.436 1.00 13.43 H new ATOM 0 HE2 TYR A 372 -4.878 -12.204 4.474 1.00 10.14 H new ATOM 0 HH TYR A 372 -5.242 -10.204 5.346 1.00 61.42 H new ATOM 251 N THR A 373 1.764 -12.141 0.918 1.00 4.54 N ATOM 252 CA THR A 373 2.817 -11.173 0.822 1.00 34.13 C ATOM 253 C THR A 373 2.264 -9.843 0.351 1.00 65.43 C ATOM 254 O THR A 373 1.767 -9.740 -0.760 1.00 63.34 O ATOM 255 CB THR A 373 3.897 -11.636 -0.181 1.00 12.15 C ATOM 256 OG1 THR A 373 4.370 -12.948 0.177 1.00 42.51 O ATOM 257 CG2 THR A 373 5.068 -10.666 -0.186 1.00 10.23 C ATOM 0 H THR A 373 1.734 -12.807 0.146 1.00 4.54 H new ATOM 0 HA THR A 373 3.261 -11.065 1.812 1.00 34.13 H new ATOM 0 HB THR A 373 3.453 -11.665 -1.176 1.00 12.15 H new ATOM 0 HG1 THR A 373 5.053 -13.236 -0.464 1.00 42.51 H new ATOM 0 HG21 THR A 373 5.820 -11.007 -0.898 1.00 10.23 H new ATOM 0 HG22 THR A 373 4.718 -9.675 -0.474 1.00 10.23 H new ATOM 0 HG23 THR A 373 5.507 -10.620 0.811 1.00 10.23 H new ATOM 263 N TYR A 374 2.331 -8.847 1.176 1.00 71.41 N ATOM 264 CA TYR A 374 1.925 -7.555 0.760 1.00 22.10 C ATOM 265 C TYR A 374 3.100 -6.850 0.214 1.00 40.41 C ATOM 266 O TYR A 374 4.161 -6.850 0.832 1.00 70.34 O ATOM 267 CB TYR A 374 1.317 -6.757 1.885 1.00 10.43 C ATOM 268 CG TYR A 374 -0.106 -6.422 1.607 1.00 34.42 C ATOM 269 CD1 TYR A 374 -0.441 -5.399 0.728 1.00 72.42 C ATOM 270 CD2 TYR A 374 -1.117 -7.129 2.195 1.00 15.32 C ATOM 271 CE1 TYR A 374 -1.729 -5.098 0.458 1.00 53.22 C ATOM 272 CE2 TYR A 374 -2.435 -6.827 1.921 1.00 5.24 C ATOM 273 CZ TYR A 374 -2.734 -5.814 1.056 1.00 5.45 C ATOM 274 OH TYR A 374 -4.044 -5.518 0.791 1.00 23.04 O ATOM 0 H TYR A 374 2.663 -8.909 2.138 1.00 71.41 H new ATOM 0 HA TYR A 374 1.152 -7.663 -0.001 1.00 22.10 H new ATOM 0 HB2 TYR A 374 1.384 -7.325 2.813 1.00 10.43 H new ATOM 0 HB3 TYR A 374 1.886 -5.839 2.031 1.00 10.43 H new ATOM 0 HD1 TYR A 374 0.345 -4.833 0.251 1.00 72.42 H new ATOM 0 HD2 TYR A 374 -0.882 -7.931 2.880 1.00 15.32 H new ATOM 0 HE1 TYR A 374 -1.967 -4.297 -0.226 1.00 53.22 H new ATOM 0 HE2 TYR A 374 -3.228 -7.391 2.390 1.00 5.24 H new ATOM 0 HH TYR A 374 -4.625 -6.123 1.298 1.00 23.04 H new ATOM 284 N LYS A 375 2.951 -6.272 -0.930 1.00 1.02 N ATOM 285 CA LYS A 375 4.054 -5.619 -1.551 1.00 55.01 C ATOM 286 C LYS A 375 3.629 -4.302 -2.084 1.00 35.35 C ATOM 287 O LYS A 375 2.691 -4.217 -2.852 1.00 44.10 O ATOM 288 CB LYS A 375 4.639 -6.461 -2.693 1.00 43.03 C ATOM 289 CG LYS A 375 5.929 -5.875 -3.253 1.00 32.45 C ATOM 290 CD LYS A 375 6.479 -6.692 -4.386 1.00 44.44 C ATOM 291 CE LYS A 375 5.673 -6.557 -5.660 1.00 41.32 C ATOM 292 NZ LYS A 375 6.288 -7.346 -6.744 1.00 44.25 N ATOM 0 H LYS A 375 2.077 -6.238 -1.454 1.00 1.02 H new ATOM 0 HA LYS A 375 4.826 -5.484 -0.793 1.00 55.01 H new ATOM 0 HB2 LYS A 375 4.830 -7.472 -2.333 1.00 43.03 H new ATOM 0 HB3 LYS A 375 3.904 -6.541 -3.493 1.00 43.03 H new ATOM 0 HG2 LYS A 375 5.744 -4.858 -3.598 1.00 32.45 H new ATOM 0 HG3 LYS A 375 6.672 -5.812 -2.458 1.00 32.45 H new ATOM 0 HD2 LYS A 375 7.508 -6.388 -4.580 1.00 44.44 H new ATOM 0 HD3 LYS A 375 6.507 -7.741 -4.090 1.00 44.44 H new ATOM 0 HE2 LYS A 375 4.651 -6.896 -5.489 1.00 41.32 H new ATOM 0 HE3 LYS A 375 5.616 -5.508 -5.952 1.00 41.32 H new ATOM 0 HZ1 LYS A 375 5.724 -7.243 -7.611 1.00 44.25 H new ATOM 0 HZ2 LYS A 375 7.255 -7.004 -6.917 1.00 44.25 H new ATOM 0 HZ3 LYS A 375 6.320 -8.348 -6.469 1.00 44.25 H new ATOM 306 N VAL A 376 4.307 -3.298 -1.692 1.00 42.12 N ATOM 307 CA VAL A 376 4.060 -1.995 -2.176 1.00 50.24 C ATOM 308 C VAL A 376 5.298 -1.519 -2.914 1.00 32.34 C ATOM 309 O VAL A 376 6.393 -1.421 -2.342 1.00 14.13 O ATOM 310 CB VAL A 376 3.654 -1.016 -1.012 1.00 53.11 C ATOM 311 CG1 VAL A 376 4.701 -0.969 0.061 1.00 42.15 C ATOM 312 CG2 VAL A 376 3.376 0.382 -1.522 1.00 14.13 C ATOM 0 H VAL A 376 5.065 -3.356 -1.012 1.00 42.12 H new ATOM 0 HA VAL A 376 3.215 -2.009 -2.864 1.00 50.24 H new ATOM 0 HB VAL A 376 2.734 -1.412 -0.582 1.00 53.11 H new ATOM 0 HG11 VAL A 376 4.386 -0.283 0.847 1.00 42.15 H new ATOM 0 HG12 VAL A 376 4.836 -1.966 0.482 1.00 42.15 H new ATOM 0 HG13 VAL A 376 5.643 -0.624 -0.365 1.00 42.15 H new ATOM 0 HG21 VAL A 376 3.099 1.026 -0.687 1.00 14.13 H new ATOM 0 HG22 VAL A 376 4.270 0.778 -2.005 1.00 14.13 H new ATOM 0 HG23 VAL A 376 2.558 0.351 -2.242 1.00 14.13 H new ATOM 318 N VAL A 377 5.164 -1.307 -4.184 1.00 3.01 N ATOM 319 CA VAL A 377 6.248 -0.786 -4.921 1.00 73.41 C ATOM 320 C VAL A 377 5.910 0.644 -5.178 1.00 74.12 C ATOM 321 O VAL A 377 4.951 0.951 -5.900 1.00 11.24 O ATOM 322 CB VAL A 377 6.447 -1.541 -6.247 1.00 15.21 C ATOM 323 CG1 VAL A 377 7.687 -1.048 -6.959 1.00 42.41 C ATOM 324 CG2 VAL A 377 6.528 -3.037 -5.999 1.00 72.53 C ATOM 0 H VAL A 377 4.316 -1.488 -4.722 1.00 3.01 H new ATOM 0 HA VAL A 377 7.182 -0.892 -4.369 1.00 73.41 H new ATOM 0 HB VAL A 377 5.587 -1.346 -6.888 1.00 15.21 H new ATOM 0 HG11 VAL A 377 7.811 -1.594 -7.894 1.00 42.41 H new ATOM 0 HG12 VAL A 377 7.586 0.016 -7.171 1.00 42.41 H new ATOM 0 HG13 VAL A 377 8.559 -1.211 -6.326 1.00 42.41 H new ATOM 0 HG21 VAL A 377 6.669 -3.556 -6.947 1.00 72.53 H new ATOM 0 HG22 VAL A 377 7.369 -3.251 -5.340 1.00 72.53 H new ATOM 0 HG23 VAL A 377 5.604 -3.379 -5.532 1.00 72.53 H new ATOM 330 N PHE A 378 6.690 1.511 -4.618 1.00 11.42 N ATOM 331 CA PHE A 378 6.380 2.907 -4.607 1.00 64.14 C ATOM 332 C PHE A 378 6.454 3.567 -5.959 1.00 44.32 C ATOM 333 O PHE A 378 7.452 3.466 -6.662 1.00 0.14 O ATOM 334 CB PHE A 378 7.168 3.631 -3.546 1.00 0.25 C ATOM 335 CG PHE A 378 6.770 3.262 -2.148 1.00 4.14 C ATOM 336 CD1 PHE A 378 5.756 3.946 -1.514 1.00 24.11 C ATOM 337 CD2 PHE A 378 7.412 2.241 -1.465 1.00 12.21 C ATOM 338 CE1 PHE A 378 5.381 3.623 -0.230 1.00 21.23 C ATOM 339 CE2 PHE A 378 7.043 1.915 -0.182 1.00 63.12 C ATOM 340 CZ PHE A 378 6.023 2.611 0.436 1.00 15.51 C ATOM 0 H PHE A 378 7.565 1.271 -4.152 1.00 11.42 H new ATOM 0 HA PHE A 378 5.326 2.984 -4.338 1.00 64.14 H new ATOM 0 HB2 PHE A 378 8.228 3.416 -3.682 1.00 0.25 H new ATOM 0 HB3 PHE A 378 7.041 4.705 -3.680 1.00 0.25 H new ATOM 0 HD1 PHE A 378 5.249 4.747 -2.032 1.00 24.11 H new ATOM 0 HD2 PHE A 378 8.211 1.696 -1.946 1.00 12.21 H new ATOM 0 HE1 PHE A 378 4.582 4.166 0.253 1.00 21.23 H new ATOM 0 HE2 PHE A 378 7.549 1.117 0.341 1.00 63.12 H new ATOM 0 HZ PHE A 378 5.731 2.358 1.444 1.00 15.51 H new ATOM 350 N TYR A 379 5.355 4.247 -6.291 1.00 71.43 N ATOM 351 CA TYR A 379 5.130 4.906 -7.564 1.00 40.14 C ATOM 352 C TYR A 379 4.903 3.934 -8.699 1.00 21.12 C ATOM 353 O TYR A 379 4.938 4.305 -9.874 1.00 71.21 O ATOM 354 CB TYR A 379 6.141 6.024 -7.858 1.00 71.30 C ATOM 355 CG TYR A 379 5.886 7.254 -6.994 1.00 5.43 C ATOM 356 CD1 TYR A 379 6.241 7.283 -5.651 1.00 35.41 C ATOM 357 CD2 TYR A 379 5.262 8.380 -7.529 1.00 65.35 C ATOM 358 CE1 TYR A 379 5.983 8.391 -4.865 1.00 11.12 C ATOM 359 CE2 TYR A 379 5.005 9.493 -6.749 1.00 21.14 C ATOM 360 CZ TYR A 379 5.364 9.491 -5.421 1.00 21.33 C ATOM 361 OH TYR A 379 5.114 10.601 -4.645 1.00 65.33 O ATOM 0 H TYR A 379 4.570 4.354 -5.649 1.00 71.43 H new ATOM 0 HA TYR A 379 4.181 5.434 -7.471 1.00 40.14 H new ATOM 0 HB2 TYR A 379 7.152 5.657 -7.680 1.00 71.30 H new ATOM 0 HB3 TYR A 379 6.083 6.300 -8.911 1.00 71.30 H new ATOM 0 HD1 TYR A 379 6.728 6.424 -5.213 1.00 35.41 H new ATOM 0 HD2 TYR A 379 4.974 8.383 -8.570 1.00 65.35 H new ATOM 0 HE1 TYR A 379 6.264 8.395 -3.822 1.00 11.12 H new ATOM 0 HE2 TYR A 379 4.525 10.359 -7.180 1.00 21.14 H new ATOM 0 HH TYR A 379 4.674 11.288 -5.188 1.00 65.33 H new ATOM 371 N GLU A 380 4.611 2.694 -8.332 1.00 45.23 N ATOM 372 CA GLU A 380 4.225 1.689 -9.287 1.00 41.15 C ATOM 373 C GLU A 380 2.897 1.025 -8.934 1.00 54.34 C ATOM 374 O GLU A 380 1.833 1.445 -9.400 1.00 54.21 O ATOM 375 CB GLU A 380 5.290 0.608 -9.512 1.00 12.14 C ATOM 376 CG GLU A 380 6.534 1.051 -10.238 1.00 11.11 C ATOM 377 CD GLU A 380 7.386 -0.123 -10.638 1.00 1.13 C ATOM 378 OE1 GLU A 380 7.047 -0.797 -11.638 1.00 53.02 O ATOM 379 OE2 GLU A 380 8.374 -0.425 -9.958 1.00 2.14 O ATOM 0 H GLU A 380 4.638 2.367 -7.366 1.00 45.23 H new ATOM 0 HA GLU A 380 4.110 2.240 -10.221 1.00 41.15 H new ATOM 0 HB2 GLU A 380 5.582 0.206 -8.542 1.00 12.14 H new ATOM 0 HB3 GLU A 380 4.837 -0.210 -10.073 1.00 12.14 H new ATOM 0 HG2 GLU A 380 6.256 1.619 -11.126 1.00 11.11 H new ATOM 0 HG3 GLU A 380 7.111 1.720 -9.599 1.00 11.11 H new ATOM 386 N ASN A 381 2.958 0.038 -8.065 1.00 52.41 N ATOM 387 CA ASN A 381 1.822 -0.834 -7.787 1.00 24.10 C ATOM 388 C ASN A 381 1.968 -1.590 -6.467 1.00 45.10 C ATOM 389 O ASN A 381 3.060 -1.702 -5.915 1.00 42.20 O ATOM 390 CB ASN A 381 1.625 -1.841 -8.952 1.00 1.24 C ATOM 391 CG ASN A 381 2.952 -2.265 -9.597 1.00 3.22 C ATOM 392 OD1 ASN A 381 3.344 -1.727 -10.635 1.00 3.44 O ATOM 393 ND2 ASN A 381 3.675 -3.146 -8.973 1.00 0.25 N ATOM 0 H ASN A 381 3.795 -0.188 -7.528 1.00 52.41 H new ATOM 0 HA ASN A 381 0.945 -0.194 -7.696 1.00 24.10 H new ATOM 0 HB2 ASN A 381 1.108 -2.725 -8.579 1.00 1.24 H new ATOM 0 HB3 ASN A 381 0.984 -1.392 -9.711 1.00 1.24 H new ATOM 0 HD21 ASN A 381 4.590 -3.407 -9.340 1.00 0.25 H new ATOM 0 HD22 ASN A 381 3.328 -3.576 -8.116 1.00 0.25 H new ATOM 399 N VAL A 382 0.848 -2.103 -5.985 1.00 45.05 N ATOM 400 CA VAL A 382 0.760 -2.868 -4.742 1.00 65.24 C ATOM 401 C VAL A 382 0.204 -4.250 -5.059 1.00 75.33 C ATOM 402 O VAL A 382 -0.667 -4.392 -5.927 1.00 75.33 O ATOM 403 CB VAL A 382 -0.172 -2.175 -3.674 1.00 13.24 C ATOM 404 CG1 VAL A 382 -0.277 -2.995 -2.393 1.00 2.34 C ATOM 405 CG2 VAL A 382 0.330 -0.800 -3.334 1.00 71.54 C ATOM 0 H VAL A 382 -0.051 -1.999 -6.456 1.00 45.05 H new ATOM 0 HA VAL A 382 1.761 -2.929 -4.316 1.00 65.24 H new ATOM 0 HB VAL A 382 -1.162 -2.103 -4.125 1.00 13.24 H new ATOM 0 HG11 VAL A 382 -0.928 -2.482 -1.685 1.00 2.34 H new ATOM 0 HG12 VAL A 382 -0.692 -3.976 -2.622 1.00 2.34 H new ATOM 0 HG13 VAL A 382 0.714 -3.114 -1.955 1.00 2.34 H new ATOM 0 HG21 VAL A 382 -0.330 -0.344 -2.596 1.00 71.54 H new ATOM 0 HG22 VAL A 382 1.338 -0.871 -2.925 1.00 71.54 H new ATOM 0 HG23 VAL A 382 0.347 -0.186 -4.234 1.00 71.54 H new ATOM 411 N PHE A 383 0.698 -5.246 -4.373 1.00 51.14 N ATOM 412 CA PHE A 383 0.289 -6.618 -4.564 1.00 34.41 C ATOM 413 C PHE A 383 -0.013 -7.305 -3.266 1.00 63.52 C ATOM 414 O PHE A 383 0.606 -7.028 -2.238 1.00 53.21 O ATOM 415 CB PHE A 383 1.351 -7.416 -5.334 1.00 54.44 C ATOM 416 CG PHE A 383 1.390 -7.105 -6.791 1.00 40.03 C ATOM 417 CD1 PHE A 383 2.139 -6.059 -7.272 1.00 42.13 C ATOM 418 CD2 PHE A 383 0.645 -7.859 -7.681 1.00 25.23 C ATOM 419 CE1 PHE A 383 2.146 -5.768 -8.616 1.00 43.34 C ATOM 420 CE2 PHE A 383 0.647 -7.572 -9.023 1.00 24.04 C ATOM 421 CZ PHE A 383 1.398 -6.521 -9.495 1.00 61.34 C ATOM 0 H PHE A 383 1.409 -5.128 -3.652 1.00 51.14 H new ATOM 0 HA PHE A 383 -0.628 -6.585 -5.153 1.00 34.41 H new ATOM 0 HB2 PHE A 383 2.331 -7.213 -4.901 1.00 54.44 H new ATOM 0 HB3 PHE A 383 1.159 -8.481 -5.203 1.00 54.44 H new ATOM 0 HD1 PHE A 383 2.726 -5.461 -6.590 1.00 42.13 H new ATOM 0 HD2 PHE A 383 0.054 -8.685 -7.314 1.00 25.23 H new ATOM 0 HE1 PHE A 383 2.741 -4.945 -8.985 1.00 43.34 H new ATOM 0 HE2 PHE A 383 0.061 -8.169 -9.706 1.00 24.04 H new ATOM 0 HZ PHE A 383 1.402 -6.287 -10.549 1.00 61.34 H new ATOM 431 N GLN A 384 -0.990 -8.170 -3.315 1.00 33.44 N ATOM 432 CA GLN A 384 -1.308 -9.034 -2.230 1.00 1.44 C ATOM 433 C GLN A 384 -1.060 -10.431 -2.733 1.00 51.22 C ATOM 434 O GLN A 384 -1.847 -10.956 -3.534 1.00 20.21 O ATOM 435 CB GLN A 384 -2.761 -8.898 -1.812 1.00 73.34 C ATOM 436 CG GLN A 384 -3.121 -9.706 -0.579 1.00 55.12 C ATOM 437 CD GLN A 384 -4.606 -9.739 -0.317 1.00 72.33 C ATOM 438 OE1 GLN A 384 -5.308 -10.614 -0.800 1.00 52.53 O ATOM 439 NE2 GLN A 384 -5.086 -8.801 0.436 1.00 12.01 N ATOM 0 H GLN A 384 -1.593 -8.290 -4.129 1.00 33.44 H new ATOM 0 HA GLN A 384 -0.703 -8.788 -1.357 1.00 1.44 H new ATOM 0 HB2 GLN A 384 -2.978 -7.847 -1.622 1.00 73.34 H new ATOM 0 HB3 GLN A 384 -3.398 -9.211 -2.639 1.00 73.34 H new ATOM 0 HG2 GLN A 384 -2.755 -10.726 -0.698 1.00 55.12 H new ATOM 0 HG3 GLN A 384 -2.613 -9.284 0.288 1.00 55.12 H new ATOM 0 HE21 GLN A 384 -4.466 -8.088 0.820 1.00 12.01 H new ATOM 0 HE22 GLN A 384 -6.084 -8.775 0.645 1.00 12.01 H new ATOM 447 N ASP A 385 0.056 -10.980 -2.330 1.00 30.24 N ATOM 448 CA ASP A 385 0.544 -12.300 -2.745 1.00 11.21 C ATOM 449 C ASP A 385 1.021 -12.236 -4.180 1.00 33.23 C ATOM 450 O ASP A 385 2.220 -12.088 -4.453 1.00 13.22 O ATOM 451 CB ASP A 385 -0.525 -13.396 -2.598 1.00 13.24 C ATOM 452 CG ASP A 385 0.002 -14.777 -2.918 1.00 13.20 C ATOM 453 OD1 ASP A 385 0.009 -15.162 -4.097 1.00 2.45 O ATOM 454 OD2 ASP A 385 0.413 -15.492 -1.996 1.00 3.32 O ATOM 0 H ASP A 385 0.686 -10.513 -1.677 1.00 30.24 H new ATOM 0 HA ASP A 385 1.370 -12.566 -2.085 1.00 11.21 H new ATOM 0 HB2 ASP A 385 -0.910 -13.387 -1.578 1.00 13.24 H new ATOM 0 HB3 ASP A 385 -1.363 -13.170 -3.257 1.00 13.24 H new ATOM 459 N SER A 386 0.075 -12.307 -5.079 1.00 23.44 N ATOM 460 CA SER A 386 0.319 -12.227 -6.492 1.00 43.03 C ATOM 461 C SER A 386 -0.825 -11.445 -7.134 1.00 40.22 C ATOM 462 O SER A 386 -0.841 -11.205 -8.342 1.00 42.12 O ATOM 463 CB SER A 386 0.366 -13.635 -7.083 1.00 23.03 C ATOM 464 OG SER A 386 1.281 -14.458 -6.369 1.00 31.44 O ATOM 0 H SER A 386 -0.910 -12.425 -4.841 1.00 23.44 H new ATOM 0 HA SER A 386 1.270 -11.729 -6.681 1.00 43.03 H new ATOM 0 HB2 SER A 386 -0.629 -14.080 -7.052 1.00 23.03 H new ATOM 0 HB3 SER A 386 0.660 -13.583 -8.131 1.00 23.03 H new ATOM 0 HG SER A 386 0.840 -14.824 -5.574 1.00 31.44 H new ATOM 470 N ILE A 387 -1.786 -11.051 -6.311 1.00 74.34 N ATOM 471 CA ILE A 387 -2.949 -10.338 -6.789 1.00 24.33 C ATOM 472 C ILE A 387 -2.671 -8.844 -6.807 1.00 12.34 C ATOM 473 O ILE A 387 -2.056 -8.315 -5.876 1.00 44.35 O ATOM 474 CB ILE A 387 -4.200 -10.647 -5.915 1.00 42.42 C ATOM 475 CG1 ILE A 387 -4.475 -12.159 -5.923 1.00 21.31 C ATOM 476 CG2 ILE A 387 -5.429 -9.866 -6.395 1.00 32.21 C ATOM 477 CD1 ILE A 387 -5.713 -12.572 -5.159 1.00 62.03 C ATOM 0 H ILE A 387 -1.778 -11.217 -5.305 1.00 74.34 H new ATOM 0 HA ILE A 387 -3.161 -10.674 -7.804 1.00 24.33 H new ATOM 0 HB ILE A 387 -3.994 -10.327 -4.894 1.00 42.42 H new ATOM 0 HG12 ILE A 387 -4.572 -12.493 -6.956 1.00 21.31 H new ATOM 0 HG13 ILE A 387 -3.613 -12.675 -5.501 1.00 21.31 H new ATOM 0 HG21 ILE A 387 -6.283 -10.107 -5.762 1.00 32.21 H new ATOM 0 HG22 ILE A 387 -5.225 -8.797 -6.339 1.00 32.21 H new ATOM 0 HG23 ILE A 387 -5.654 -10.139 -7.426 1.00 32.21 H new ATOM 0 HD11 ILE A 387 -5.832 -13.654 -5.216 1.00 62.03 H new ATOM 0 HD12 ILE A 387 -5.614 -12.272 -4.116 1.00 62.03 H new ATOM 0 HD13 ILE A 387 -6.587 -12.088 -5.594 1.00 62.03 H new ATOM 484 N LEU A 388 -3.128 -8.167 -7.849 1.00 61.13 N ATOM 485 CA LEU A 388 -2.895 -6.757 -8.002 1.00 31.01 C ATOM 486 C LEU A 388 -3.822 -6.014 -7.074 1.00 14.15 C ATOM 487 O LEU A 388 -5.024 -6.014 -7.251 1.00 43.33 O ATOM 488 CB LEU A 388 -3.157 -6.344 -9.450 1.00 33.31 C ATOM 489 CG LEU A 388 -2.935 -4.863 -9.788 1.00 60.24 C ATOM 490 CD1 LEU A 388 -1.490 -4.442 -9.529 1.00 43.05 C ATOM 491 CD2 LEU A 388 -3.323 -4.583 -11.225 1.00 13.24 C ATOM 0 H LEU A 388 -3.668 -8.587 -8.605 1.00 61.13 H new ATOM 0 HA LEU A 388 -1.860 -6.519 -7.756 1.00 31.01 H new ATOM 0 HB2 LEU A 388 -2.516 -6.942 -10.097 1.00 33.31 H new ATOM 0 HB3 LEU A 388 -4.187 -6.600 -9.697 1.00 33.31 H new ATOM 0 HG LEU A 388 -3.575 -4.272 -9.133 1.00 60.24 H new ATOM 0 HD11 LEU A 388 -1.368 -3.388 -9.779 1.00 43.05 H new ATOM 0 HD12 LEU A 388 -1.249 -4.596 -8.477 1.00 43.05 H new ATOM 0 HD13 LEU A 388 -0.820 -5.041 -10.146 1.00 43.05 H new ATOM 0 HD21 LEU A 388 -3.159 -3.529 -11.447 1.00 13.24 H new ATOM 0 HD22 LEU A 388 -2.714 -5.193 -11.892 1.00 13.24 H new ATOM 0 HD23 LEU A 388 -4.376 -4.825 -11.372 1.00 13.24 H new ATOM 499 N LEU A 389 -3.269 -5.427 -6.074 1.00 24.31 N ATOM 500 CA LEU A 389 -4.013 -4.766 -5.100 1.00 34.44 C ATOM 501 C LEU A 389 -4.400 -3.384 -5.617 1.00 72.11 C ATOM 502 O LEU A 389 -5.570 -3.086 -5.747 1.00 63.24 O ATOM 503 CB LEU A 389 -3.132 -4.725 -3.886 1.00 73.32 C ATOM 504 CG LEU A 389 -3.760 -4.587 -2.537 1.00 0.12 C ATOM 505 CD1 LEU A 389 -4.423 -3.256 -2.324 1.00 24.31 C ATOM 506 CD2 LEU A 389 -4.703 -5.737 -2.254 1.00 30.25 C ATOM 0 H LEU A 389 -2.261 -5.401 -5.920 1.00 24.31 H new ATOM 0 HA LEU A 389 -4.951 -5.262 -4.852 1.00 34.44 H new ATOM 0 HB2 LEU A 389 -2.538 -5.639 -3.880 1.00 73.32 H new ATOM 0 HB3 LEU A 389 -2.438 -3.894 -4.012 1.00 73.32 H new ATOM 0 HG LEU A 389 -2.947 -4.630 -1.812 1.00 0.12 H new ATOM 0 HD11 LEU A 389 -4.859 -3.222 -1.325 1.00 24.31 H new ATOM 0 HD12 LEU A 389 -3.684 -2.461 -2.425 1.00 24.31 H new ATOM 0 HD13 LEU A 389 -5.208 -3.118 -3.067 1.00 24.31 H new ATOM 0 HD21 LEU A 389 -5.145 -5.610 -1.266 1.00 30.25 H new ATOM 0 HD22 LEU A 389 -5.492 -5.754 -3.005 1.00 30.25 H new ATOM 0 HD23 LEU A 389 -4.151 -6.676 -2.287 1.00 30.25 H new ATOM 514 N GLY A 390 -3.432 -2.564 -5.932 1.00 52.12 N ATOM 515 CA GLY A 390 -3.748 -1.265 -6.446 1.00 63.02 C ATOM 516 C GLY A 390 -2.593 -0.665 -7.171 1.00 1.23 C ATOM 517 O GLY A 390 -1.453 -1.087 -6.982 1.00 20.03 O ATOM 0 H GLY A 390 -2.437 -2.770 -5.843 1.00 52.12 H new ATOM 0 HA2 GLY A 390 -4.602 -1.338 -7.119 1.00 63.02 H new ATOM 0 HA3 GLY A 390 -4.043 -0.611 -5.626 1.00 63.02 H new ATOM 521 N ASN A 391 -2.875 0.292 -7.998 1.00 13.44 N ATOM 522 CA ASN A 391 -1.860 1.041 -8.700 1.00 62.34 C ATOM 523 C ASN A 391 -1.839 2.433 -8.136 1.00 31.50 C ATOM 524 O ASN A 391 -2.854 2.923 -7.662 1.00 61.33 O ATOM 525 CB ASN A 391 -2.124 1.089 -10.209 1.00 62.22 C ATOM 526 CG ASN A 391 -2.019 -0.265 -10.887 1.00 31.32 C ATOM 527 OD1 ASN A 391 -3.122 -0.954 -11.011 1.00 2.41 O flip ATOM 528 ND2 ASN A 391 -0.946 -0.678 -11.316 1.00 35.33 N flip ATOM 0 H ASN A 391 -3.828 0.585 -8.213 1.00 13.44 H new ATOM 0 HA ASN A 391 -0.897 0.550 -8.563 1.00 62.34 H new ATOM 0 HB2 ASN A 391 -3.120 1.497 -10.382 1.00 62.22 H new ATOM 0 HB3 ASN A 391 -1.414 1.774 -10.672 1.00 62.22 H new ATOM 0 HD21 ASN A 391 -0.102 -0.117 -11.204 1.00 35.33 H new ATOM 0 HD22 ASN A 391 -0.898 -1.583 -11.785 1.00 35.33 H new ATOM 534 N PHE A 392 -0.722 3.061 -8.181 1.00 44.32 N ATOM 535 CA PHE A 392 -0.555 4.371 -7.573 1.00 42.11 C ATOM 536 C PHE A 392 -1.248 5.459 -8.378 1.00 45.31 C ATOM 537 O PHE A 392 -1.048 5.568 -9.588 1.00 73.43 O ATOM 538 CB PHE A 392 0.931 4.662 -7.365 1.00 73.20 C ATOM 539 CG PHE A 392 1.592 3.821 -6.289 1.00 62.34 C ATOM 540 CD1 PHE A 392 1.369 2.456 -6.192 1.00 71.15 C ATOM 541 CD2 PHE A 392 2.421 4.408 -5.375 1.00 33.13 C ATOM 542 CE1 PHE A 392 1.972 1.713 -5.211 1.00 23.32 C ATOM 543 CE2 PHE A 392 3.030 3.669 -4.388 1.00 4.04 C ATOM 544 CZ PHE A 392 2.806 2.322 -4.309 1.00 71.05 C ATOM 0 H PHE A 392 0.116 2.699 -8.636 1.00 44.32 H new ATOM 0 HA PHE A 392 -1.038 4.365 -6.596 1.00 42.11 H new ATOM 0 HB2 PHE A 392 1.455 4.501 -8.307 1.00 73.20 H new ATOM 0 HB3 PHE A 392 1.050 5.715 -7.110 1.00 73.20 H new ATOM 0 HD1 PHE A 392 0.711 1.972 -6.899 1.00 71.15 H new ATOM 0 HD2 PHE A 392 2.601 5.472 -5.429 1.00 33.13 H new ATOM 0 HE1 PHE A 392 1.791 0.650 -5.148 1.00 23.32 H new ATOM 0 HE2 PHE A 392 3.684 4.151 -3.677 1.00 4.04 H new ATOM 0 HZ PHE A 392 3.286 1.739 -3.537 1.00 71.05 H new ATOM 554 N ALA A 393 -2.079 6.255 -7.715 1.00 24.21 N ATOM 555 CA ALA A 393 -2.817 7.280 -8.416 1.00 4.02 C ATOM 556 C ALA A 393 -2.341 8.690 -8.065 1.00 14.43 C ATOM 557 O ALA A 393 -2.035 9.480 -8.968 1.00 5.25 O ATOM 558 CB ALA A 393 -4.303 7.132 -8.129 1.00 11.33 C ATOM 0 H ALA A 393 -2.252 6.207 -6.711 1.00 24.21 H new ATOM 0 HA ALA A 393 -2.634 7.144 -9.482 1.00 4.02 H new ATOM 0 HB1 ALA A 393 -4.855 7.907 -8.660 1.00 11.33 H new ATOM 0 HB2 ALA A 393 -4.642 6.152 -8.463 1.00 11.33 H new ATOM 0 HB3 ALA A 393 -4.478 7.231 -7.058 1.00 11.33 H new ATOM 564 N SER A 394 -2.223 8.989 -6.777 1.00 54.52 N ATOM 565 CA SER A 394 -1.809 10.319 -6.327 1.00 72.51 C ATOM 566 C SER A 394 -1.474 10.277 -4.848 1.00 72.45 C ATOM 567 O SER A 394 -2.184 9.621 -4.078 1.00 24.21 O ATOM 568 CB SER A 394 -2.948 11.322 -6.584 1.00 0.14 C ATOM 569 OG SER A 394 -4.161 10.883 -5.969 1.00 54.42 O ATOM 0 H SER A 394 -2.408 8.329 -6.022 1.00 54.52 H new ATOM 0 HA SER A 394 -0.924 10.633 -6.880 1.00 72.51 H new ATOM 0 HB2 SER A 394 -2.671 12.301 -6.193 1.00 0.14 H new ATOM 0 HB3 SER A 394 -3.101 11.438 -7.657 1.00 0.14 H new ATOM 0 HG SER A 394 -4.871 11.536 -6.143 1.00 54.42 H new ATOM 575 N GLN A 395 -0.418 10.973 -4.445 1.00 52.31 N ATOM 576 CA GLN A 395 0.022 10.927 -3.050 1.00 0.05 C ATOM 577 C GLN A 395 -0.064 12.299 -2.438 1.00 61.53 C ATOM 578 O GLN A 395 0.123 13.311 -3.131 1.00 34.14 O ATOM 579 CB GLN A 395 1.477 10.503 -2.949 1.00 30.40 C ATOM 580 CG GLN A 395 1.936 9.501 -3.984 1.00 2.03 C ATOM 581 CD GLN A 395 1.255 8.148 -3.946 1.00 10.03 C ATOM 582 OE1 GLN A 395 0.109 7.995 -3.566 1.00 24.15 O ATOM 583 NE2 GLN A 395 1.965 7.157 -4.358 1.00 43.42 N ATOM 0 H GLN A 395 0.145 11.569 -5.052 1.00 52.31 H new ATOM 0 HA GLN A 395 -0.622 10.214 -2.535 1.00 0.05 H new ATOM 0 HB2 GLN A 395 2.103 11.392 -3.027 1.00 30.40 H new ATOM 0 HB3 GLN A 395 1.646 10.080 -1.959 1.00 30.40 H new ATOM 0 HG2 GLN A 395 1.784 9.934 -4.973 1.00 2.03 H new ATOM 0 HG3 GLN A 395 3.009 9.349 -3.863 1.00 2.03 H new ATOM 0 HE21 GLN A 395 2.923 7.312 -4.671 1.00 43.42 H new ATOM 0 HE22 GLN A 395 1.569 6.217 -4.371 1.00 43.42 H new ATOM 591 N GLU A 396 -0.355 12.346 -1.182 1.00 62.42 N ATOM 592 CA GLU A 396 -0.348 13.597 -0.450 1.00 65.11 C ATOM 593 C GLU A 396 0.504 13.438 0.808 1.00 21.24 C ATOM 594 O GLU A 396 0.130 12.713 1.734 1.00 10.23 O ATOM 595 CB GLU A 396 -1.766 14.070 -0.086 1.00 53.42 C ATOM 596 CG GLU A 396 -1.779 15.423 0.628 1.00 24.14 C ATOM 597 CD GLU A 396 -3.157 15.890 1.018 1.00 71.04 C ATOM 598 OE1 GLU A 396 -3.625 15.536 2.122 1.00 54.33 O ATOM 599 OE2 GLU A 396 -3.789 16.631 0.252 1.00 5.31 O ATOM 0 H GLU A 396 -0.605 11.530 -0.623 1.00 62.42 H new ATOM 0 HA GLU A 396 0.081 14.364 -1.095 1.00 65.11 H new ATOM 0 HB2 GLU A 396 -2.365 14.139 -0.994 1.00 53.42 H new ATOM 0 HB3 GLU A 396 -2.240 13.324 0.552 1.00 53.42 H new ATOM 0 HG2 GLU A 396 -1.161 15.357 1.523 1.00 24.14 H new ATOM 0 HG3 GLU A 396 -1.322 16.170 -0.021 1.00 24.14 H new ATOM 606 N GLY A 397 1.649 14.095 0.822 1.00 51.43 N ATOM 607 CA GLY A 397 2.542 14.042 1.960 1.00 51.40 C ATOM 608 C GLY A 397 3.083 12.653 2.203 1.00 71.14 C ATOM 609 O GLY A 397 3.906 12.156 1.433 1.00 4.42 O ATOM 0 H GLY A 397 1.982 14.675 0.052 1.00 51.43 H new ATOM 0 HA2 GLY A 397 3.372 14.729 1.799 1.00 51.40 H new ATOM 0 HA3 GLY A 397 2.013 14.384 2.850 1.00 51.40 H new ATOM 613 N ASN A 398 2.610 12.032 3.252 1.00 34.10 N ATOM 614 CA ASN A 398 3.027 10.686 3.619 1.00 64.14 C ATOM 615 C ASN A 398 1.846 9.738 3.560 1.00 20.44 C ATOM 616 O ASN A 398 1.891 8.625 4.090 1.00 44.10 O ATOM 617 CB ASN A 398 3.674 10.642 5.027 1.00 74.14 C ATOM 618 CG ASN A 398 2.769 11.116 6.170 1.00 73.04 C ATOM 619 OD1 ASN A 398 1.942 12.025 6.009 1.00 33.41 O ATOM 620 ND2 ASN A 398 2.889 10.477 7.305 1.00 12.41 N ATOM 0 H ASN A 398 1.921 12.440 3.884 1.00 34.10 H new ATOM 0 HA ASN A 398 3.783 10.371 2.899 1.00 64.14 H new ATOM 0 HB2 ASN A 398 3.990 9.619 5.234 1.00 74.14 H new ATOM 0 HB3 ASN A 398 4.574 11.257 5.017 1.00 74.14 H new ATOM 0 HD21 ASN A 398 2.291 10.722 8.094 1.00 12.41 H new ATOM 0 HD22 ASN A 398 3.581 9.734 7.401 1.00 12.41 H new ATOM 626 N VAL A 399 0.799 10.165 2.891 1.00 61.41 N ATOM 627 CA VAL A 399 -0.382 9.355 2.733 1.00 23.21 C ATOM 628 C VAL A 399 -0.562 9.084 1.258 1.00 12.44 C ATOM 629 O VAL A 399 -0.750 10.012 0.454 1.00 35.23 O ATOM 630 CB VAL A 399 -1.649 10.043 3.311 1.00 61.24 C ATOM 631 CG1 VAL A 399 -2.862 9.139 3.177 1.00 21.21 C ATOM 632 CG2 VAL A 399 -1.435 10.434 4.767 1.00 12.11 C ATOM 0 H VAL A 399 0.744 11.080 2.444 1.00 61.41 H new ATOM 0 HA VAL A 399 -0.253 8.427 3.289 1.00 23.21 H new ATOM 0 HB VAL A 399 -1.832 10.950 2.735 1.00 61.24 H new ATOM 0 HG11 VAL A 399 -3.737 9.641 3.588 1.00 21.21 H new ATOM 0 HG12 VAL A 399 -3.034 8.914 2.124 1.00 21.21 H new ATOM 0 HG13 VAL A 399 -2.687 8.212 3.722 1.00 21.21 H new ATOM 0 HG21 VAL A 399 -2.335 10.914 5.151 1.00 12.11 H new ATOM 0 HG22 VAL A 399 -1.220 9.542 5.356 1.00 12.11 H new ATOM 0 HG23 VAL A 399 -0.596 11.126 4.838 1.00 12.11 H new ATOM 638 N LEU A 400 -0.484 7.846 0.906 1.00 15.00 N ATOM 639 CA LEU A 400 -0.521 7.447 -0.463 1.00 11.33 C ATOM 640 C LEU A 400 -1.836 6.754 -0.805 1.00 41.42 C ATOM 641 O LEU A 400 -2.390 6.001 0.009 1.00 63.43 O ATOM 642 CB LEU A 400 0.687 6.549 -0.814 1.00 5.52 C ATOM 643 CG LEU A 400 2.116 7.179 -0.774 1.00 63.42 C ATOM 644 CD1 LEU A 400 2.565 7.576 0.620 1.00 11.43 C ATOM 645 CD2 LEU A 400 3.126 6.252 -1.406 1.00 51.42 C ATOM 0 H LEU A 400 -0.392 7.073 1.566 1.00 15.00 H new ATOM 0 HA LEU A 400 -0.456 8.350 -1.070 1.00 11.33 H new ATOM 0 HB2 LEU A 400 0.679 5.700 -0.131 1.00 5.52 H new ATOM 0 HB3 LEU A 400 0.526 6.153 -1.817 1.00 5.52 H new ATOM 0 HG LEU A 400 2.055 8.101 -1.353 1.00 63.42 H new ATOM 0 HD11 LEU A 400 3.565 8.006 0.571 1.00 11.43 H new ATOM 0 HD12 LEU A 400 1.873 8.312 1.029 1.00 11.43 H new ATOM 0 HD13 LEU A 400 2.579 6.695 1.262 1.00 11.43 H new ATOM 0 HD21 LEU A 400 4.114 6.710 -1.368 1.00 51.42 H new ATOM 0 HD22 LEU A 400 3.143 5.307 -0.863 1.00 51.42 H new ATOM 0 HD23 LEU A 400 2.851 6.068 -2.445 1.00 51.42 H new ATOM 653 N LYS A 401 -2.330 7.016 -1.998 1.00 25.43 N ATOM 654 CA LYS A 401 -3.584 6.452 -2.481 1.00 21.44 C ATOM 655 C LYS A 401 -3.386 5.636 -3.725 1.00 62.23 C ATOM 656 O LYS A 401 -2.866 6.127 -4.750 1.00 70.52 O ATOM 657 CB LYS A 401 -4.636 7.537 -2.706 1.00 10.55 C ATOM 658 CG LYS A 401 -5.311 8.023 -1.435 1.00 65.33 C ATOM 659 CD LYS A 401 -6.277 6.965 -0.858 1.00 34.01 C ATOM 660 CE LYS A 401 -7.439 6.691 -1.814 1.00 2.21 C ATOM 661 NZ LYS A 401 -8.444 5.784 -1.223 1.00 12.14 N ATOM 0 H LYS A 401 -1.871 7.632 -2.670 1.00 25.43 H new ATOM 0 HA LYS A 401 -3.951 5.783 -1.702 1.00 21.44 H new ATOM 0 HB2 LYS A 401 -4.166 8.386 -3.202 1.00 10.55 H new ATOM 0 HB3 LYS A 401 -5.398 7.154 -3.385 1.00 10.55 H new ATOM 0 HG2 LYS A 401 -4.553 8.267 -0.691 1.00 65.33 H new ATOM 0 HG3 LYS A 401 -5.860 8.941 -1.643 1.00 65.33 H new ATOM 0 HD2 LYS A 401 -5.734 6.039 -0.668 1.00 34.01 H new ATOM 0 HD3 LYS A 401 -6.666 7.309 0.101 1.00 34.01 H new ATOM 0 HE2 LYS A 401 -7.916 7.633 -2.083 1.00 2.21 H new ATOM 0 HE3 LYS A 401 -7.054 6.254 -2.735 1.00 2.21 H new ATOM 0 HZ1 LYS A 401 -9.213 5.626 -1.905 1.00 12.14 H new ATOM 0 HZ2 LYS A 401 -7.996 4.875 -0.989 1.00 12.14 H new ATOM 0 HZ3 LYS A 401 -8.831 6.212 -0.358 1.00 12.14 H new ATOM 675 N TYR A 402 -3.784 4.390 -3.646 1.00 71.23 N ATOM 676 CA TYR A 402 -3.647 3.481 -4.754 1.00 4.11 C ATOM 677 C TYR A 402 -5.038 3.028 -5.162 1.00 70.43 C ATOM 678 O TYR A 402 -5.864 2.732 -4.299 1.00 64.01 O ATOM 679 CB TYR A 402 -2.818 2.252 -4.347 1.00 61.01 C ATOM 680 CG TYR A 402 -1.691 2.556 -3.390 1.00 24.33 C ATOM 681 CD1 TYR A 402 -0.743 3.506 -3.679 1.00 72.22 C ATOM 682 CD2 TYR A 402 -1.598 1.895 -2.177 1.00 34.41 C ATOM 683 CE1 TYR A 402 0.265 3.786 -2.799 1.00 74.31 C ATOM 684 CE2 TYR A 402 -0.583 2.174 -1.295 1.00 32.34 C ATOM 685 CZ TYR A 402 0.341 3.117 -1.613 1.00 12.10 C ATOM 686 OH TYR A 402 1.366 3.391 -0.744 1.00 24.44 O ATOM 0 H TYR A 402 -4.210 3.980 -2.815 1.00 71.23 H new ATOM 0 HA TYR A 402 -3.139 3.983 -5.578 1.00 4.11 H new ATOM 0 HB2 TYR A 402 -3.480 1.516 -3.890 1.00 61.01 H new ATOM 0 HB3 TYR A 402 -2.404 1.793 -5.245 1.00 61.01 H new ATOM 0 HD1 TYR A 402 -0.794 4.040 -4.616 1.00 72.22 H new ATOM 0 HD2 TYR A 402 -2.335 1.148 -1.920 1.00 34.41 H new ATOM 0 HE1 TYR A 402 1.001 4.537 -3.043 1.00 74.31 H new ATOM 0 HE2 TYR A 402 -0.520 1.647 -0.355 1.00 32.34 H new ATOM 0 HH TYR A 402 2.209 3.056 -1.116 1.00 24.44 H new ATOM 696 N GLU A 403 -5.288 2.973 -6.446 1.00 74.22 N ATOM 697 CA GLU A 403 -6.588 2.599 -6.988 1.00 61.25 C ATOM 698 C GLU A 403 -6.381 1.768 -8.238 1.00 10.43 C ATOM 699 O GLU A 403 -5.242 1.552 -8.651 1.00 61.42 O ATOM 700 CB GLU A 403 -7.418 3.846 -7.361 1.00 61.21 C ATOM 701 CG GLU A 403 -7.727 4.800 -6.215 1.00 3.25 C ATOM 702 CD GLU A 403 -8.553 5.983 -6.663 1.00 71.12 C ATOM 703 OE1 GLU A 403 -7.977 6.988 -7.129 1.00 14.14 O ATOM 704 OE2 GLU A 403 -9.797 5.926 -6.560 1.00 35.43 O ATOM 0 H GLU A 403 -4.592 3.188 -7.160 1.00 74.22 H new ATOM 0 HA GLU A 403 -7.126 2.034 -6.227 1.00 61.25 H new ATOM 0 HB2 GLU A 403 -6.884 4.397 -8.135 1.00 61.21 H new ATOM 0 HB3 GLU A 403 -8.360 3.515 -7.798 1.00 61.21 H new ATOM 0 HG2 GLU A 403 -8.261 4.263 -5.431 1.00 3.25 H new ATOM 0 HG3 GLU A 403 -6.793 5.155 -5.779 1.00 3.25 H new ATOM 711 N ASN A 404 -7.472 1.265 -8.812 1.00 40.03 N ATOM 712 CA ASN A 404 -7.430 0.590 -10.126 1.00 62.32 C ATOM 713 C ASN A 404 -6.623 -0.701 -10.141 1.00 41.22 C ATOM 714 O ASN A 404 -6.037 -1.053 -11.162 1.00 11.34 O ATOM 715 CB ASN A 404 -6.929 1.555 -11.223 1.00 52.32 C ATOM 716 CG ASN A 404 -7.974 2.558 -11.708 1.00 25.30 C ATOM 717 OD1 ASN A 404 -8.952 2.872 -10.893 1.00 4.12 O flip ATOM 718 ND2 ASN A 404 -7.913 3.015 -12.850 1.00 73.05 N flip ATOM 0 H ASN A 404 -8.402 1.308 -8.394 1.00 40.03 H new ATOM 0 HA ASN A 404 -8.459 0.299 -10.337 1.00 62.32 H new ATOM 0 HB2 ASN A 404 -6.067 2.103 -10.842 1.00 52.32 H new ATOM 0 HB3 ASN A 404 -6.583 0.969 -12.075 1.00 52.32 H new ATOM 0 HD21 ASN A 404 -7.141 2.754 -13.463 1.00 73.05 H new ATOM 0 HD22 ASN A 404 -8.635 3.655 -13.183 1.00 73.05 H new ATOM 724 N GLY A 405 -6.636 -1.426 -9.043 1.00 22.42 N ATOM 725 CA GLY A 405 -5.975 -2.715 -9.012 1.00 61.43 C ATOM 726 C GLY A 405 -6.841 -3.807 -9.641 1.00 4.11 C ATOM 727 O GLY A 405 -7.544 -3.559 -10.629 1.00 42.43 O ATOM 0 H GLY A 405 -7.089 -1.151 -8.172 1.00 22.42 H new ATOM 0 HA2 GLY A 405 -5.026 -2.651 -9.544 1.00 61.43 H new ATOM 0 HA3 GLY A 405 -5.745 -2.982 -7.981 1.00 61.43 H new ATOM 731 N GLN A 406 -6.807 -4.991 -9.058 1.00 32.12 N ATOM 732 CA GLN A 406 -7.574 -6.147 -9.535 1.00 5.12 C ATOM 733 C GLN A 406 -9.067 -5.820 -9.613 1.00 42.50 C ATOM 734 O GLN A 406 -9.617 -5.185 -8.719 1.00 20.22 O ATOM 735 CB GLN A 406 -7.335 -7.344 -8.597 1.00 3.01 C ATOM 736 CG GLN A 406 -8.119 -8.595 -8.924 1.00 64.54 C ATOM 737 CD GLN A 406 -7.755 -9.195 -10.256 1.00 62.54 C ATOM 738 OE1 GLN A 406 -8.340 -8.862 -11.287 1.00 21.22 O ATOM 739 NE2 GLN A 406 -6.816 -10.092 -10.243 1.00 42.34 N ATOM 0 H GLN A 406 -6.243 -5.188 -8.231 1.00 32.12 H new ATOM 0 HA GLN A 406 -7.236 -6.402 -10.539 1.00 5.12 H new ATOM 0 HB2 GLN A 406 -6.273 -7.588 -8.611 1.00 3.01 H new ATOM 0 HB3 GLN A 406 -7.578 -7.040 -7.579 1.00 3.01 H new ATOM 0 HG2 GLN A 406 -7.951 -9.335 -8.142 1.00 64.54 H new ATOM 0 HG3 GLN A 406 -9.183 -8.360 -8.918 1.00 64.54 H new ATOM 0 HE21 GLN A 406 -6.357 -10.338 -9.366 1.00 42.34 H new ATOM 0 HE22 GLN A 406 -6.537 -10.551 -11.110 1.00 42.34 H new ATOM 747 N SER A 407 -9.700 -6.238 -10.677 1.00 40.04 N ATOM 748 CA SER A 407 -11.094 -5.984 -10.889 1.00 44.25 C ATOM 749 C SER A 407 -11.950 -6.851 -9.967 1.00 25.54 C ATOM 750 O SER A 407 -11.909 -8.081 -10.036 1.00 71.23 O ATOM 751 CB SER A 407 -11.425 -6.239 -12.355 1.00 52.12 C ATOM 752 OG SER A 407 -10.956 -7.526 -12.753 1.00 2.42 O ATOM 0 H SER A 407 -9.255 -6.769 -11.426 1.00 40.04 H new ATOM 0 HA SER A 407 -11.317 -4.944 -10.649 1.00 44.25 H new ATOM 0 HB2 SER A 407 -12.502 -6.174 -12.508 1.00 52.12 H new ATOM 0 HB3 SER A 407 -10.968 -5.470 -12.977 1.00 52.12 H new ATOM 0 HG SER A 407 -10.989 -8.137 -11.988 1.00 2.42 H new ATOM 826 N HIS A 413 -12.426 -1.724 -8.823 1.00 62.55 N ATOM 827 CA HIS A 413 -11.156 -2.413 -8.756 1.00 43.01 C ATOM 828 C HIS A 413 -10.757 -2.388 -7.310 1.00 1.12 C ATOM 829 O HIS A 413 -11.361 -1.643 -6.530 1.00 40.11 O ATOM 830 CB HIS A 413 -10.029 -1.666 -9.534 1.00 71.12 C ATOM 831 CG HIS A 413 -10.218 -1.507 -11.008 1.00 44.33 C ATOM 832 ND1 HIS A 413 -9.911 -2.489 -11.916 1.00 60.11 N ATOM 833 CD2 HIS A 413 -10.706 -0.471 -11.730 1.00 70.14 C ATOM 834 CE1 HIS A 413 -10.208 -2.074 -13.121 1.00 13.21 C ATOM 835 NE2 HIS A 413 -10.692 -0.854 -13.040 1.00 3.11 N ATOM 0 HA HIS A 413 -11.269 -3.409 -9.185 1.00 43.01 H new ATOM 0 HB2 HIS A 413 -9.915 -0.674 -9.097 1.00 71.12 H new ATOM 0 HB3 HIS A 413 -9.092 -2.197 -9.367 1.00 71.12 H new ATOM 0 HD1 HIS A 413 -9.513 -3.400 -11.687 1.00 60.11 H new ATOM 0 HD2 HIS A 413 -11.043 0.479 -11.343 1.00 70.14 H new ATOM 0 HE1 HIS A 413 -10.077 -2.640 -14.032 1.00 13.21 H new ATOM 844 N ARG A 414 -9.784 -3.176 -6.939 1.00 14.42 N ATOM 845 CA ARG A 414 -9.221 -3.070 -5.625 1.00 33.54 C ATOM 846 C ARG A 414 -8.379 -1.835 -5.530 1.00 3.23 C ATOM 847 O ARG A 414 -7.895 -1.302 -6.552 1.00 11.34 O ATOM 848 CB ARG A 414 -8.424 -4.302 -5.208 1.00 44.21 C ATOM 849 CG ARG A 414 -9.277 -5.496 -4.833 1.00 1.21 C ATOM 850 CD ARG A 414 -8.428 -6.711 -4.500 1.00 51.20 C ATOM 851 NE ARG A 414 -9.249 -7.884 -4.168 1.00 23.22 N ATOM 852 CZ ARG A 414 -8.785 -9.041 -3.661 1.00 14.42 C ATOM 853 NH1 ARG A 414 -7.498 -9.176 -3.342 1.00 41.01 N ATOM 854 NH2 ARG A 414 -9.620 -10.047 -3.448 1.00 24.20 N ATOM 0 H ARG A 414 -9.367 -3.896 -7.529 1.00 14.42 H new ATOM 0 HA ARG A 414 -10.055 -3.001 -4.926 1.00 33.54 H new ATOM 0 HB2 ARG A 414 -7.761 -4.586 -6.025 1.00 44.21 H new ATOM 0 HB3 ARG A 414 -7.791 -4.041 -4.360 1.00 44.21 H new ATOM 0 HG2 ARG A 414 -9.901 -5.242 -3.976 1.00 1.21 H new ATOM 0 HG3 ARG A 414 -9.949 -5.736 -5.657 1.00 1.21 H new ATOM 0 HD2 ARG A 414 -7.785 -6.947 -5.348 1.00 51.20 H new ATOM 0 HD3 ARG A 414 -7.774 -6.477 -3.660 1.00 51.20 H new ATOM 0 HE ARG A 414 -10.253 -7.815 -4.336 1.00 23.22 H new ATOM 0 HH11 ARG A 414 -6.854 -8.398 -3.481 1.00 41.01 H new ATOM 0 HH12 ARG A 414 -7.157 -10.058 -2.958 1.00 41.01 H new ATOM 0 HH21 ARG A 414 -10.611 -9.943 -3.668 1.00 24.20 H new ATOM 0 HH22 ARG A 414 -9.272 -10.926 -3.064 1.00 24.20 H new ATOM 866 N SER A 415 -8.214 -1.373 -4.343 1.00 51.02 N ATOM 867 CA SER A 415 -7.503 -0.193 -4.090 1.00 63.34 C ATOM 868 C SER A 415 -7.077 -0.174 -2.633 1.00 30.45 C ATOM 869 O SER A 415 -7.549 -1.001 -1.836 1.00 23.13 O ATOM 870 CB SER A 415 -8.397 1.006 -4.441 1.00 42.25 C ATOM 871 OG SER A 415 -9.646 0.945 -3.739 1.00 25.14 O ATOM 0 H SER A 415 -8.583 -1.824 -3.506 1.00 51.02 H new ATOM 0 HA SER A 415 -6.603 -0.138 -4.703 1.00 63.34 H new ATOM 0 HB2 SER A 415 -7.881 1.933 -4.191 1.00 42.25 H new ATOM 0 HB3 SER A 415 -8.581 1.024 -5.515 1.00 42.25 H new ATOM 0 HG SER A 415 -9.914 0.009 -3.630 1.00 25.14 H new ATOM 877 N ALA A 416 -6.216 0.749 -2.277 1.00 15.04 N ATOM 878 CA ALA A 416 -5.720 0.824 -0.941 1.00 42.41 C ATOM 879 C ALA A 416 -5.181 2.188 -0.637 1.00 2.21 C ATOM 880 O ALA A 416 -4.747 2.916 -1.525 1.00 33.41 O ATOM 881 CB ALA A 416 -4.638 -0.211 -0.715 1.00 41.24 C ATOM 0 H ALA A 416 -5.847 1.461 -2.907 1.00 15.04 H new ATOM 0 HA ALA A 416 -6.555 0.623 -0.270 1.00 42.41 H new ATOM 0 HB1 ALA A 416 -4.273 -0.138 0.309 1.00 41.24 H new ATOM 0 HB2 ALA A 416 -5.046 -1.207 -0.884 1.00 41.24 H new ATOM 0 HB3 ALA A 416 -3.815 -0.034 -1.407 1.00 41.24 H new ATOM 887 N ILE A 417 -5.256 2.539 0.589 1.00 3.12 N ATOM 888 CA ILE A 417 -4.667 3.737 1.088 1.00 24.44 C ATOM 889 C ILE A 417 -3.562 3.361 2.077 1.00 41.20 C ATOM 890 O ILE A 417 -3.751 2.490 2.924 1.00 62.34 O ATOM 891 CB ILE A 417 -5.719 4.675 1.767 1.00 3.42 C ATOM 892 CG1 ILE A 417 -5.037 5.950 2.286 1.00 62.23 C ATOM 893 CG2 ILE A 417 -6.487 3.959 2.881 1.00 50.42 C ATOM 894 CD1 ILE A 417 -5.974 6.938 2.962 1.00 33.42 C ATOM 0 H ILE A 417 -5.741 1.991 1.300 1.00 3.12 H new ATOM 0 HA ILE A 417 -4.250 4.296 0.250 1.00 24.44 H new ATOM 0 HB ILE A 417 -6.453 4.958 1.013 1.00 3.42 H new ATOM 0 HG12 ILE A 417 -4.257 5.667 2.993 1.00 62.23 H new ATOM 0 HG13 ILE A 417 -4.545 6.449 1.451 1.00 62.23 H new ATOM 0 HG21 ILE A 417 -7.207 4.646 3.326 1.00 50.42 H new ATOM 0 HG22 ILE A 417 -7.014 3.100 2.466 1.00 50.42 H new ATOM 0 HG23 ILE A 417 -5.788 3.621 3.646 1.00 50.42 H new ATOM 0 HD11 ILE A 417 -5.407 7.807 3.297 1.00 33.42 H new ATOM 0 HD12 ILE A 417 -6.740 7.255 2.255 1.00 33.42 H new ATOM 0 HD13 ILE A 417 -6.448 6.461 3.820 1.00 33.42 H new ATOM 901 N VAL A 418 -2.427 3.971 1.940 1.00 23.32 N ATOM 902 CA VAL A 418 -1.310 3.726 2.819 1.00 64.35 C ATOM 903 C VAL A 418 -0.904 4.974 3.564 1.00 23.33 C ATOM 904 O VAL A 418 -0.734 6.039 2.977 1.00 61.41 O ATOM 905 CB VAL A 418 -0.081 3.084 2.078 1.00 20.11 C ATOM 906 CG1 VAL A 418 1.202 3.317 2.831 1.00 5.40 C ATOM 907 CG2 VAL A 418 -0.260 1.595 1.970 1.00 62.41 C ATOM 0 H VAL A 418 -2.240 4.660 1.211 1.00 23.32 H new ATOM 0 HA VAL A 418 -1.654 2.994 3.550 1.00 64.35 H new ATOM 0 HB VAL A 418 -0.028 3.551 1.095 1.00 20.11 H new ATOM 0 HG11 VAL A 418 2.030 2.859 2.289 1.00 5.40 H new ATOM 0 HG12 VAL A 418 1.379 4.388 2.926 1.00 5.40 H new ATOM 0 HG13 VAL A 418 1.127 2.872 3.823 1.00 5.40 H new ATOM 0 HG21 VAL A 418 0.597 1.162 1.455 1.00 62.41 H new ATOM 0 HG22 VAL A 418 -0.339 1.165 2.968 1.00 62.41 H new ATOM 0 HG23 VAL A 418 -1.168 1.378 1.408 1.00 62.41 H new ATOM 913 N THR A 419 -0.782 4.838 4.846 1.00 22.34 N ATOM 914 CA THR A 419 -0.301 5.886 5.672 1.00 31.42 C ATOM 915 C THR A 419 1.096 5.504 6.134 1.00 33.42 C ATOM 916 O THR A 419 1.264 4.527 6.889 1.00 44.11 O ATOM 917 CB THR A 419 -1.235 6.054 6.894 1.00 10.11 C ATOM 918 OG1 THR A 419 -1.440 4.763 7.512 1.00 11.12 O ATOM 919 CG2 THR A 419 -2.577 6.647 6.481 1.00 42.54 C ATOM 0 H THR A 419 -1.018 3.983 5.350 1.00 22.34 H new ATOM 0 HA THR A 419 -0.276 6.829 5.125 1.00 31.42 H new ATOM 0 HB THR A 419 -0.767 6.738 7.602 1.00 10.11 H new ATOM 0 HG1 THR A 419 -2.030 4.862 8.288 1.00 11.12 H new ATOM 0 HG21 THR A 419 -3.213 6.754 7.359 1.00 42.54 H new ATOM 0 HG22 THR A 419 -2.418 7.625 6.027 1.00 42.54 H new ATOM 0 HG23 THR A 419 -3.060 5.987 5.761 1.00 42.54 H new ATOM 925 N VAL A 420 2.090 6.237 5.690 1.00 62.22 N ATOM 926 CA VAL A 420 3.455 5.925 6.040 1.00 13.44 C ATOM 927 C VAL A 420 3.887 6.870 7.132 1.00 54.42 C ATOM 928 O VAL A 420 4.007 8.064 6.911 1.00 35.41 O ATOM 929 CB VAL A 420 4.417 6.088 4.827 1.00 23.11 C ATOM 930 CG1 VAL A 420 5.797 5.560 5.157 1.00 75.21 C ATOM 931 CG2 VAL A 420 3.873 5.407 3.587 1.00 43.31 C ATOM 0 H VAL A 420 1.979 7.052 5.087 1.00 62.22 H new ATOM 0 HA VAL A 420 3.500 4.886 6.366 1.00 13.44 H new ATOM 0 HB VAL A 420 4.494 7.154 4.615 1.00 23.11 H new ATOM 0 HG11 VAL A 420 6.451 5.685 4.294 1.00 75.21 H new ATOM 0 HG12 VAL A 420 6.205 6.112 6.004 1.00 75.21 H new ATOM 0 HG13 VAL A 420 5.731 4.502 5.411 1.00 75.21 H new ATOM 0 HG21 VAL A 420 4.572 5.542 2.761 1.00 43.31 H new ATOM 0 HG22 VAL A 420 3.745 4.342 3.783 1.00 43.31 H new ATOM 0 HG23 VAL A 420 2.911 5.846 3.323 1.00 43.31 H new ATOM 937 N GLU A 421 4.101 6.354 8.302 1.00 44.32 N ATOM 938 CA GLU A 421 4.452 7.185 9.427 1.00 52.31 C ATOM 939 C GLU A 421 5.910 6.986 9.794 1.00 2.12 C ATOM 940 O GLU A 421 6.605 6.199 9.173 1.00 64.35 O ATOM 941 CB GLU A 421 3.557 6.860 10.609 1.00 50.24 C ATOM 942 CG GLU A 421 2.082 6.952 10.288 1.00 62.14 C ATOM 943 CD GLU A 421 1.214 6.588 11.451 1.00 14.12 C ATOM 944 OE1 GLU A 421 1.187 5.404 11.828 1.00 14.23 O ATOM 945 OE2 GLU A 421 0.536 7.475 12.002 1.00 2.13 O ATOM 0 H GLU A 421 4.040 5.357 8.510 1.00 44.32 H new ATOM 0 HA GLU A 421 4.307 8.230 9.154 1.00 52.31 H new ATOM 0 HB2 GLU A 421 3.783 5.853 10.960 1.00 50.24 H new ATOM 0 HB3 GLU A 421 3.786 7.542 11.428 1.00 50.24 H new ATOM 0 HG2 GLU A 421 1.847 7.967 9.968 1.00 62.14 H new ATOM 0 HG3 GLU A 421 1.855 6.293 9.450 1.00 62.14 H new ATOM 952 N CYS A 422 6.349 7.691 10.791 1.00 14.20 N ATOM 953 CA CYS A 422 7.720 7.637 11.268 1.00 61.21 C ATOM 954 C CYS A 422 8.087 6.225 11.705 1.00 65.40 C ATOM 955 O CYS A 422 7.367 5.596 12.475 1.00 61.52 O ATOM 956 CB CYS A 422 7.872 8.612 12.438 1.00 34.45 C ATOM 957 SG CYS A 422 9.516 8.640 13.257 1.00 2.35 S ATOM 0 H CYS A 422 5.760 8.338 11.316 1.00 14.20 H new ATOM 0 HA CYS A 422 8.395 7.920 10.460 1.00 61.21 H new ATOM 0 HB2 CYS A 422 7.651 9.617 12.078 1.00 34.45 H new ATOM 0 HB3 CYS A 422 7.119 8.369 13.188 1.00 34.45 H new ATOM 0 HG CYS A 422 9.504 9.508 14.225 1.00 2.35 H new ATOM 962 N GLY A 423 9.182 5.734 11.204 1.00 65.41 N ATOM 963 CA GLY A 423 9.620 4.414 11.551 1.00 4.10 C ATOM 964 C GLY A 423 11.095 4.280 11.425 1.00 14.42 C ATOM 965 O GLY A 423 11.785 5.256 11.136 1.00 50.33 O ATOM 0 H GLY A 423 9.790 6.229 10.552 1.00 65.41 H new ATOM 0 HA2 GLY A 423 9.319 4.186 12.574 1.00 4.10 H new ATOM 0 HA3 GLY A 423 9.131 3.685 10.905 1.00 4.10 H new ATOM 969 N VAL A 424 11.584 3.099 11.658 1.00 62.12 N ATOM 970 CA VAL A 424 12.996 2.815 11.546 1.00 72.22 C ATOM 971 C VAL A 424 13.304 2.386 10.116 1.00 43.54 C ATOM 972 O VAL A 424 14.328 2.744 9.550 1.00 43.32 O ATOM 973 CB VAL A 424 13.422 1.687 12.530 1.00 62.44 C ATOM 974 CG1 VAL A 424 14.924 1.425 12.456 1.00 5.41 C ATOM 975 CG2 VAL A 424 13.008 2.030 13.954 1.00 21.25 C ATOM 0 H VAL A 424 11.017 2.297 11.933 1.00 62.12 H new ATOM 0 HA VAL A 424 13.554 3.716 11.800 1.00 72.22 H new ATOM 0 HB VAL A 424 12.908 0.774 12.231 1.00 62.44 H new ATOM 0 HG11 VAL A 424 15.190 0.632 13.155 1.00 5.41 H new ATOM 0 HG12 VAL A 424 15.191 1.121 11.444 1.00 5.41 H new ATOM 0 HG13 VAL A 424 15.465 2.335 12.716 1.00 5.41 H new ATOM 0 HG21 VAL A 424 13.315 1.228 14.625 1.00 21.25 H new ATOM 0 HG22 VAL A 424 13.486 2.961 14.258 1.00 21.25 H new ATOM 0 HG23 VAL A 424 11.925 2.147 14.000 1.00 21.25 H new ATOM 981 N GLU A 425 12.388 1.647 9.535 1.00 45.20 N ATOM 982 CA GLU A 425 12.549 1.125 8.201 1.00 43.33 C ATOM 983 C GLU A 425 11.181 0.979 7.549 1.00 63.21 C ATOM 984 O GLU A 425 10.159 0.952 8.239 1.00 35.51 O ATOM 985 CB GLU A 425 13.265 -0.227 8.271 1.00 41.03 C ATOM 986 CG GLU A 425 13.565 -0.840 6.927 1.00 43.43 C ATOM 987 CD GLU A 425 14.273 -2.153 7.043 1.00 64.12 C ATOM 988 OE1 GLU A 425 13.614 -3.177 7.185 1.00 74.30 O ATOM 989 OE2 GLU A 425 15.510 -2.177 6.970 1.00 1.33 O ATOM 0 H GLU A 425 11.506 1.390 9.978 1.00 45.20 H new ATOM 0 HA GLU A 425 13.150 1.808 7.600 1.00 43.33 H new ATOM 0 HB2 GLU A 425 14.200 -0.102 8.817 1.00 41.03 H new ATOM 0 HB3 GLU A 425 12.651 -0.921 8.845 1.00 41.03 H new ATOM 0 HG2 GLU A 425 12.633 -0.980 6.379 1.00 43.43 H new ATOM 0 HG3 GLU A 425 14.177 -0.151 6.345 1.00 43.43 H new ATOM 996 N ASN A 426 11.174 0.905 6.228 1.00 64.43 N ATOM 997 CA ASN A 426 9.956 0.765 5.437 1.00 73.01 C ATOM 998 C ASN A 426 9.351 -0.609 5.667 1.00 41.13 C ATOM 999 O ASN A 426 9.842 -1.602 5.135 1.00 21.14 O ATOM 1000 CB ASN A 426 10.266 0.920 3.933 1.00 73.25 C ATOM 1001 CG ASN A 426 10.932 2.225 3.571 1.00 12.35 C ATOM 1002 OD1 ASN A 426 10.708 3.249 4.178 1.00 70.40 O ATOM 1003 ND2 ASN A 426 11.777 2.175 2.596 1.00 60.15 N ATOM 0 H ASN A 426 12.024 0.941 5.665 1.00 64.43 H new ATOM 0 HA ASN A 426 9.257 1.542 5.745 1.00 73.01 H new ATOM 0 HB2 ASN A 426 10.909 0.097 3.619 1.00 73.25 H new ATOM 0 HB3 ASN A 426 9.337 0.831 3.371 1.00 73.25 H new ATOM 0 HD21 ASN A 426 12.281 3.016 2.314 1.00 60.15 H new ATOM 0 HD22 ASN A 426 11.940 1.295 2.107 1.00 60.15 H new ATOM 1009 N GLU A 427 8.337 -0.680 6.481 1.00 22.44 N ATOM 1010 CA GLU A 427 7.674 -1.940 6.755 1.00 33.15 C ATOM 1011 C GLU A 427 6.164 -1.784 6.632 1.00 23.11 C ATOM 1012 O GLU A 427 5.625 -0.702 6.900 1.00 15.22 O ATOM 1013 CB GLU A 427 8.026 -2.458 8.160 1.00 41.42 C ATOM 1014 CG GLU A 427 7.375 -3.797 8.479 1.00 53.32 C ATOM 1015 CD GLU A 427 7.632 -4.288 9.868 1.00 53.14 C ATOM 1016 OE1 GLU A 427 8.655 -4.962 10.101 1.00 52.31 O ATOM 1017 OE2 GLU A 427 6.796 -4.061 10.738 1.00 21.01 O ATOM 0 H GLU A 427 7.943 0.121 6.974 1.00 22.44 H new ATOM 0 HA GLU A 427 8.023 -2.665 6.020 1.00 33.15 H new ATOM 0 HB2 GLU A 427 9.108 -2.557 8.245 1.00 41.42 H new ATOM 0 HB3 GLU A 427 7.714 -1.722 8.901 1.00 41.42 H new ATOM 0 HG2 GLU A 427 6.299 -3.710 8.330 1.00 53.32 H new ATOM 0 HG3 GLU A 427 7.736 -4.542 7.770 1.00 53.32 H new ATOM 1024 N ILE A 428 5.491 -2.852 6.211 1.00 0.41 N ATOM 1025 CA ILE A 428 4.049 -2.882 6.175 1.00 60.04 C ATOM 1026 C ILE A 428 3.606 -3.241 7.581 1.00 73.22 C ATOM 1027 O ILE A 428 3.903 -4.334 8.073 1.00 74.14 O ATOM 1028 CB ILE A 428 3.510 -3.983 5.227 1.00 51.45 C ATOM 1029 CG1 ILE A 428 4.187 -3.928 3.853 1.00 60.12 C ATOM 1030 CG2 ILE A 428 2.003 -3.825 5.069 1.00 34.41 C ATOM 1031 CD1 ILE A 428 3.971 -2.638 3.114 1.00 21.24 C ATOM 0 H ILE A 428 5.936 -3.712 5.889 1.00 0.41 H new ATOM 0 HA ILE A 428 3.676 -1.921 5.822 1.00 60.04 H new ATOM 0 HB ILE A 428 3.738 -4.953 5.670 1.00 51.45 H new ATOM 0 HG12 ILE A 428 5.258 -4.086 3.981 1.00 60.12 H new ATOM 0 HG13 ILE A 428 3.814 -4.751 3.243 1.00 60.12 H new ATOM 0 HG21 ILE A 428 1.624 -4.599 4.402 1.00 34.41 H new ATOM 0 HG22 ILE A 428 1.523 -3.918 6.043 1.00 34.41 H new ATOM 0 HG23 ILE A 428 1.782 -2.844 4.648 1.00 34.41 H new ATOM 0 HD11 ILE A 428 4.482 -2.680 2.152 1.00 21.24 H new ATOM 0 HD12 ILE A 428 2.904 -2.486 2.952 1.00 21.24 H new ATOM 0 HD13 ILE A 428 4.370 -1.811 3.701 1.00 21.24 H new ATOM 1038 N VAL A 429 2.944 -2.350 8.209 1.00 41.42 N ATOM 1039 CA VAL A 429 2.529 -2.517 9.580 1.00 71.05 C ATOM 1040 C VAL A 429 1.273 -3.354 9.709 1.00 25.11 C ATOM 1041 O VAL A 429 1.217 -4.294 10.509 1.00 65.31 O ATOM 1042 CB VAL A 429 2.353 -1.138 10.253 1.00 11.41 C ATOM 1043 CG1 VAL A 429 1.629 -1.242 11.582 1.00 4.13 C ATOM 1044 CG2 VAL A 429 3.714 -0.497 10.443 1.00 61.34 C ATOM 0 H VAL A 429 2.661 -1.462 7.795 1.00 41.42 H new ATOM 0 HA VAL A 429 3.317 -3.065 10.097 1.00 71.05 H new ATOM 0 HB VAL A 429 1.738 -0.518 9.601 1.00 11.41 H new ATOM 0 HG11 VAL A 429 1.527 -0.249 12.020 1.00 4.13 H new ATOM 0 HG12 VAL A 429 0.640 -1.672 11.425 1.00 4.13 H new ATOM 0 HG13 VAL A 429 2.199 -1.880 12.258 1.00 4.13 H new ATOM 0 HG21 VAL A 429 3.594 0.477 10.918 1.00 61.34 H new ATOM 0 HG22 VAL A 429 4.332 -1.135 11.075 1.00 61.34 H new ATOM 0 HG23 VAL A 429 4.195 -0.371 9.473 1.00 61.34 H new ATOM 1050 N SER A 430 0.291 -3.048 8.921 1.00 60.52 N ATOM 1051 CA SER A 430 -0.958 -3.721 9.011 1.00 41.23 C ATOM 1052 C SER A 430 -1.758 -3.407 7.782 1.00 3.44 C ATOM 1053 O SER A 430 -1.452 -2.443 7.068 1.00 12.32 O ATOM 1054 CB SER A 430 -1.713 -3.253 10.280 1.00 21.41 C ATOM 1055 OG SER A 430 -2.910 -3.986 10.493 1.00 41.42 O ATOM 0 H SER A 430 0.336 -2.327 8.201 1.00 60.52 H new ATOM 0 HA SER A 430 -0.802 -4.798 9.080 1.00 41.23 H new ATOM 0 HB2 SER A 430 -1.063 -3.362 11.148 1.00 21.41 H new ATOM 0 HB3 SER A 430 -1.949 -2.193 10.190 1.00 21.41 H new ATOM 0 HG SER A 430 -3.353 -3.660 11.304 1.00 41.42 H new ATOM 1061 N VAL A 431 -2.750 -4.203 7.537 1.00 64.04 N ATOM 1062 CA VAL A 431 -3.633 -4.033 6.443 1.00 2.21 C ATOM 1063 C VAL A 431 -5.018 -4.373 6.889 1.00 42.41 C ATOM 1064 O VAL A 431 -5.291 -5.483 7.354 1.00 51.40 O ATOM 1065 CB VAL A 431 -3.223 -4.850 5.176 1.00 23.42 C ATOM 1066 CG1 VAL A 431 -2.977 -6.308 5.497 1.00 53.31 C ATOM 1067 CG2 VAL A 431 -4.295 -4.730 4.104 1.00 62.44 C ATOM 0 H VAL A 431 -2.969 -5.014 8.116 1.00 64.04 H new ATOM 0 HA VAL A 431 -3.584 -2.990 6.131 1.00 2.21 H new ATOM 0 HB VAL A 431 -2.288 -4.430 4.806 1.00 23.42 H new ATOM 0 HG11 VAL A 431 -2.695 -6.838 4.587 1.00 53.31 H new ATOM 0 HG12 VAL A 431 -2.173 -6.389 6.229 1.00 53.31 H new ATOM 0 HG13 VAL A 431 -3.886 -6.749 5.906 1.00 53.31 H new ATOM 0 HG21 VAL A 431 -3.998 -5.304 3.226 1.00 62.44 H new ATOM 0 HG22 VAL A 431 -5.239 -5.117 4.488 1.00 62.44 H new ATOM 0 HG23 VAL A 431 -4.418 -3.683 3.828 1.00 62.44 H new ATOM 1073 N LEU A 432 -5.868 -3.441 6.796 1.00 53.24 N ATOM 1074 CA LEU A 432 -7.192 -3.631 7.220 1.00 22.12 C ATOM 1075 C LEU A 432 -8.097 -3.389 6.054 1.00 31.13 C ATOM 1076 O LEU A 432 -7.879 -2.459 5.285 1.00 33.51 O ATOM 1077 CB LEU A 432 -7.508 -2.689 8.380 1.00 23.54 C ATOM 1078 CG LEU A 432 -8.830 -2.927 9.094 1.00 5.15 C ATOM 1079 CD1 LEU A 432 -8.843 -4.326 9.692 1.00 13.34 C ATOM 1080 CD2 LEU A 432 -9.036 -1.884 10.176 1.00 40.42 C ATOM 0 H LEU A 432 -5.668 -2.514 6.421 1.00 53.24 H new ATOM 0 HA LEU A 432 -7.339 -4.650 7.579 1.00 22.12 H new ATOM 0 HB2 LEU A 432 -6.704 -2.765 9.112 1.00 23.54 H new ATOM 0 HB3 LEU A 432 -7.501 -1.666 8.003 1.00 23.54 H new ATOM 0 HG LEU A 432 -9.646 -2.842 8.377 1.00 5.15 H new ATOM 0 HD11 LEU A 432 -9.791 -4.494 10.203 1.00 13.34 H new ATOM 0 HD12 LEU A 432 -8.723 -5.062 8.897 1.00 13.34 H new ATOM 0 HD13 LEU A 432 -8.024 -4.425 10.405 1.00 13.34 H new ATOM 0 HD21 LEU A 432 -9.986 -2.065 10.680 1.00 40.42 H new ATOM 0 HD22 LEU A 432 -8.224 -1.946 10.900 1.00 40.42 H new ATOM 0 HD23 LEU A 432 -9.047 -0.891 9.727 1.00 40.42 H new ATOM 1088 N GLU A 433 -9.069 -4.221 5.881 1.00 73.12 N ATOM 1089 CA GLU A 433 -9.977 -4.050 4.800 1.00 42.34 C ATOM 1090 C GLU A 433 -11.003 -3.012 5.214 1.00 14.42 C ATOM 1091 O GLU A 433 -11.731 -3.189 6.192 1.00 22.51 O ATOM 1092 CB GLU A 433 -10.640 -5.381 4.442 1.00 33.25 C ATOM 1093 CG GLU A 433 -11.536 -5.313 3.224 1.00 40.04 C ATOM 1094 CD GLU A 433 -12.174 -6.641 2.900 1.00 35.20 C ATOM 1095 OE1 GLU A 433 -13.205 -6.979 3.509 1.00 54.12 O ATOM 1096 OE2 GLU A 433 -11.659 -7.362 2.021 1.00 43.54 O ATOM 0 H GLU A 433 -9.254 -5.028 6.477 1.00 73.12 H new ATOM 0 HA GLU A 433 -9.451 -3.708 3.908 1.00 42.34 H new ATOM 0 HB2 GLU A 433 -9.864 -6.127 4.269 1.00 33.25 H new ATOM 0 HB3 GLU A 433 -11.227 -5.724 5.294 1.00 33.25 H new ATOM 0 HG2 GLU A 433 -12.316 -4.570 3.392 1.00 40.04 H new ATOM 0 HG3 GLU A 433 -10.953 -4.975 2.367 1.00 40.04 H new ATOM 1103 N ALA A 434 -11.013 -1.912 4.498 1.00 0.13 N ATOM 1104 CA ALA A 434 -11.884 -0.806 4.807 1.00 63.13 C ATOM 1105 C ALA A 434 -13.285 -1.146 4.405 1.00 64.24 C ATOM 1106 O ALA A 434 -14.239 -0.971 5.162 1.00 11.22 O ATOM 1107 CB ALA A 434 -11.414 0.443 4.083 1.00 2.45 C ATOM 0 H ALA A 434 -10.417 -1.760 3.685 1.00 0.13 H new ATOM 0 HA ALA A 434 -11.859 -0.614 5.880 1.00 63.13 H new ATOM 0 HB1 ALA A 434 -12.078 1.274 4.322 1.00 2.45 H new ATOM 0 HB2 ALA A 434 -10.400 0.687 4.399 1.00 2.45 H new ATOM 0 HB3 ALA A 434 -11.427 0.267 3.007 1.00 2.45 H new ATOM 1113 N GLN A 435 -13.403 -1.661 3.224 1.00 40.34 N ATOM 1114 CA GLN A 435 -14.670 -2.038 2.687 1.00 30.23 C ATOM 1115 C GLN A 435 -14.590 -3.461 2.166 1.00 61.12 C ATOM 1116 O GLN A 435 -15.038 -4.385 2.818 1.00 74.40 O ATOM 1117 CB GLN A 435 -15.094 -1.050 1.600 1.00 61.53 C ATOM 1118 CG GLN A 435 -15.341 0.366 2.106 1.00 53.20 C ATOM 1119 CD GLN A 435 -15.655 1.337 0.992 1.00 35.14 C ATOM 1120 OE1 GLN A 435 -16.810 1.504 0.606 1.00 20.05 O ATOM 1121 NE2 GLN A 435 -14.652 2.020 0.505 1.00 41.11 N ATOM 0 H GLN A 435 -12.615 -1.833 2.599 1.00 40.34 H new ATOM 0 HA GLN A 435 -15.432 -2.007 3.466 1.00 30.23 H new ATOM 0 HB2 GLN A 435 -14.322 -1.020 0.831 1.00 61.53 H new ATOM 0 HB3 GLN A 435 -16.003 -1.418 1.125 1.00 61.53 H new ATOM 0 HG2 GLN A 435 -16.168 0.355 2.816 1.00 53.20 H new ATOM 0 HG3 GLN A 435 -14.461 0.713 2.647 1.00 53.20 H new ATOM 0 HE21 GLN A 435 -13.707 1.854 0.850 1.00 41.11 H new ATOM 0 HE22 GLN A 435 -14.815 2.719 -0.220 1.00 41.11 H new ATOM 1129 N LYS A 436 -14.016 -3.622 0.993 1.00 3.00 N ATOM 1130 CA LYS A 436 -13.744 -4.932 0.404 1.00 70.01 C ATOM 1131 C LYS A 436 -12.828 -4.795 -0.792 1.00 13.54 C ATOM 1132 O LYS A 436 -11.920 -5.585 -0.985 1.00 44.43 O ATOM 1133 CB LYS A 436 -15.011 -5.774 0.073 1.00 52.23 C ATOM 1134 CG LYS A 436 -16.046 -5.139 -0.863 1.00 62.32 C ATOM 1135 CD LYS A 436 -16.922 -4.071 -0.180 1.00 12.30 C ATOM 1136 CE LYS A 436 -18.004 -4.657 0.772 1.00 33.15 C ATOM 1137 NZ LYS A 436 -17.470 -5.429 1.927 1.00 43.23 N ATOM 0 H LYS A 436 -13.718 -2.842 0.408 1.00 3.00 H new ATOM 0 HA LYS A 436 -13.236 -5.507 1.178 1.00 70.01 H new ATOM 0 HB2 LYS A 436 -14.686 -6.715 -0.371 1.00 52.23 H new ATOM 0 HB3 LYS A 436 -15.509 -6.019 1.011 1.00 52.23 H new ATOM 0 HG2 LYS A 436 -15.529 -4.686 -1.709 1.00 62.32 H new ATOM 0 HG3 LYS A 436 -16.689 -5.922 -1.265 1.00 62.32 H new ATOM 0 HD2 LYS A 436 -16.280 -3.397 0.387 1.00 12.30 H new ATOM 0 HD3 LYS A 436 -17.413 -3.473 -0.948 1.00 12.30 H new ATOM 0 HE2 LYS A 436 -18.615 -3.838 1.152 1.00 33.15 H new ATOM 0 HE3 LYS A 436 -18.663 -5.305 0.194 1.00 33.15 H new ATOM 0 HZ1 LYS A 436 -18.212 -5.533 2.648 1.00 43.23 H new ATOM 0 HZ2 LYS A 436 -17.166 -6.370 1.605 1.00 43.23 H new ATOM 0 HZ3 LYS A 436 -16.658 -4.924 2.336 1.00 43.23 H new ATOM 1151 N CYS A 437 -13.060 -3.781 -1.573 1.00 43.02 N ATOM 1152 CA CYS A 437 -12.199 -3.461 -2.694 1.00 31.21 C ATOM 1153 C CYS A 437 -11.274 -2.322 -2.312 1.00 45.31 C ATOM 1154 O CYS A 437 -10.560 -1.781 -3.126 1.00 70.12 O ATOM 1155 CB CYS A 437 -13.026 -3.082 -3.915 1.00 61.04 C ATOM 1156 SG CYS A 437 -14.053 -4.431 -4.584 1.00 61.15 S ATOM 0 H CYS A 437 -13.850 -3.146 -1.458 1.00 43.02 H new ATOM 0 HA CYS A 437 -11.605 -4.339 -2.946 1.00 31.21 H new ATOM 0 HB2 CYS A 437 -13.674 -2.245 -3.653 1.00 61.04 H new ATOM 0 HB3 CYS A 437 -12.354 -2.732 -4.698 1.00 61.04 H new ATOM 0 HG CYS A 437 -14.715 -4.001 -5.617 1.00 61.15 H new ATOM 1161 N GLU A 438 -11.307 -1.971 -1.064 1.00 35.34 N ATOM 1162 CA GLU A 438 -10.480 -0.928 -0.539 1.00 20.20 C ATOM 1163 C GLU A 438 -9.891 -1.355 0.790 1.00 31.41 C ATOM 1164 O GLU A 438 -10.621 -1.837 1.676 1.00 72.32 O ATOM 1165 CB GLU A 438 -11.260 0.368 -0.410 1.00 64.03 C ATOM 1166 CG GLU A 438 -10.491 1.465 0.299 1.00 70.22 C ATOM 1167 CD GLU A 438 -11.253 2.743 0.418 1.00 63.23 C ATOM 1168 OE1 GLU A 438 -12.055 2.887 1.357 1.00 13.24 O ATOM 1169 OE2 GLU A 438 -11.038 3.639 -0.408 1.00 14.01 O ATOM 0 H GLU A 438 -11.917 -2.406 -0.372 1.00 35.34 H new ATOM 0 HA GLU A 438 -9.660 -0.745 -1.233 1.00 20.20 H new ATOM 0 HB2 GLU A 438 -11.540 0.715 -1.404 1.00 64.03 H new ATOM 0 HB3 GLU A 438 -12.185 0.174 0.132 1.00 64.03 H new ATOM 0 HG2 GLU A 438 -10.217 1.120 1.296 1.00 70.22 H new ATOM 0 HG3 GLU A 438 -9.562 1.653 -0.239 1.00 70.22 H new ATOM 1176 N TYR A 439 -8.596 -1.209 0.920 1.00 23.41 N ATOM 1177 CA TYR A 439 -7.883 -1.585 2.125 1.00 53.53 C ATOM 1178 C TYR A 439 -7.078 -0.400 2.649 1.00 5.23 C ATOM 1179 O TYR A 439 -6.680 0.469 1.879 1.00 42.34 O ATOM 1180 CB TYR A 439 -6.909 -2.726 1.804 1.00 32.30 C ATOM 1181 CG TYR A 439 -7.542 -3.904 1.103 1.00 1.32 C ATOM 1182 CD1 TYR A 439 -7.680 -3.913 -0.281 1.00 75.44 C ATOM 1183 CD2 TYR A 439 -8.003 -4.997 1.812 1.00 14.31 C ATOM 1184 CE1 TYR A 439 -8.253 -4.970 -0.929 1.00 44.42 C ATOM 1185 CE2 TYR A 439 -8.580 -6.067 1.165 1.00 54.10 C ATOM 1186 CZ TYR A 439 -8.702 -6.048 -0.205 1.00 61.32 C ATOM 1187 OH TYR A 439 -9.271 -7.110 -0.849 1.00 11.24 O ATOM 0 H TYR A 439 -7.998 -0.823 0.189 1.00 23.41 H new ATOM 0 HA TYR A 439 -8.607 -1.900 2.877 1.00 53.53 H new ATOM 0 HB2 TYR A 439 -6.104 -2.337 1.180 1.00 32.30 H new ATOM 0 HB3 TYR A 439 -6.454 -3.072 2.732 1.00 32.30 H new ATOM 0 HD1 TYR A 439 -7.327 -3.068 -0.854 1.00 75.44 H new ATOM 0 HD2 TYR A 439 -7.910 -5.012 2.888 1.00 14.31 H new ATOM 0 HE1 TYR A 439 -8.353 -4.959 -2.004 1.00 44.42 H new ATOM 0 HE2 TYR A 439 -8.935 -6.916 1.730 1.00 54.10 H new ATOM 0 HH TYR A 439 -10.210 -6.908 -1.046 1.00 11.24 H new ATOM 1197 N LEU A 440 -6.877 -0.343 3.940 1.00 34.25 N ATOM 1198 CA LEU A 440 -6.006 0.647 4.529 1.00 2.35 C ATOM 1199 C LEU A 440 -4.778 -0.037 5.095 1.00 14.11 C ATOM 1200 O LEU A 440 -4.885 -0.925 5.951 1.00 35.53 O ATOM 1201 CB LEU A 440 -6.680 1.558 5.607 1.00 24.30 C ATOM 1202 CG LEU A 440 -7.312 0.900 6.854 1.00 32.22 C ATOM 1203 CD1 LEU A 440 -7.522 1.946 7.931 1.00 33.03 C ATOM 1204 CD2 LEU A 440 -8.659 0.296 6.516 1.00 45.14 C ATOM 0 H LEU A 440 -7.309 -0.977 4.612 1.00 34.25 H new ATOM 0 HA LEU A 440 -5.731 1.329 3.724 1.00 2.35 H new ATOM 0 HB2 LEU A 440 -5.929 2.268 5.954 1.00 24.30 H new ATOM 0 HB3 LEU A 440 -7.459 2.136 5.109 1.00 24.30 H new ATOM 0 HG LEU A 440 -6.637 0.118 7.203 1.00 32.22 H new ATOM 0 HD11 LEU A 440 -7.968 1.479 8.809 1.00 33.03 H new ATOM 0 HD12 LEU A 440 -6.563 2.387 8.202 1.00 33.03 H new ATOM 0 HD13 LEU A 440 -8.187 2.725 7.557 1.00 33.03 H new ATOM 0 HD21 LEU A 440 -9.086 -0.162 7.408 1.00 45.14 H new ATOM 0 HD22 LEU A 440 -9.327 1.077 6.153 1.00 45.14 H new ATOM 0 HD23 LEU A 440 -8.534 -0.462 5.743 1.00 45.14 H new ATOM 1212 N ILE A 441 -3.635 0.347 4.611 1.00 35.52 N ATOM 1213 CA ILE A 441 -2.376 -0.211 5.055 1.00 12.23 C ATOM 1214 C ILE A 441 -1.554 0.856 5.777 1.00 63.22 C ATOM 1215 O ILE A 441 -1.440 1.990 5.309 1.00 22.31 O ATOM 1216 CB ILE A 441 -1.526 -0.835 3.876 1.00 44.34 C ATOM 1217 CG1 ILE A 441 -2.178 -2.074 3.246 1.00 61.04 C ATOM 1218 CG2 ILE A 441 -0.085 -1.108 4.255 1.00 64.30 C ATOM 1219 CD1 ILE A 441 -3.265 -1.769 2.239 1.00 41.14 C ATOM 0 H ILE A 441 -3.541 1.062 3.890 1.00 35.52 H new ATOM 0 HA ILE A 441 -2.618 -1.024 5.739 1.00 12.23 H new ATOM 0 HB ILE A 441 -1.512 -0.059 3.110 1.00 44.34 H new ATOM 0 HG12 ILE A 441 -1.405 -2.667 2.758 1.00 61.04 H new ATOM 0 HG13 ILE A 441 -2.599 -2.691 4.040 1.00 61.04 H new ATOM 0 HG21 ILE A 441 0.441 -1.535 3.401 1.00 64.30 H new ATOM 0 HG22 ILE A 441 0.397 -0.175 4.549 1.00 64.30 H new ATOM 0 HG23 ILE A 441 -0.055 -1.810 5.088 1.00 64.30 H new ATOM 0 HD11 ILE A 441 -3.669 -2.702 1.846 1.00 41.14 H new ATOM 0 HD12 ILE A 441 -4.062 -1.204 2.723 1.00 41.14 H new ATOM 0 HD13 ILE A 441 -2.849 -1.181 1.421 1.00 41.14 H new ATOM 1226 N LYS A 442 -1.011 0.507 6.912 1.00 15.24 N ATOM 1227 CA LYS A 442 -0.187 1.406 7.645 1.00 32.22 C ATOM 1228 C LYS A 442 1.248 0.984 7.447 1.00 32.03 C ATOM 1229 O LYS A 442 1.538 -0.208 7.391 1.00 3.34 O ATOM 1230 CB LYS A 442 -0.567 1.375 9.119 1.00 11.33 C ATOM 1231 CG LYS A 442 0.187 2.369 9.990 1.00 72.14 C ATOM 1232 CD LYS A 442 -0.272 2.299 11.440 1.00 14.21 C ATOM 1233 CE LYS A 442 -1.756 2.628 11.574 1.00 21.43 C ATOM 1234 NZ LYS A 442 -2.221 2.548 12.973 1.00 2.44 N ATOM 0 H LYS A 442 -1.132 -0.408 7.347 1.00 15.24 H new ATOM 0 HA LYS A 442 -0.321 2.428 7.292 1.00 32.22 H new ATOM 0 HB2 LYS A 442 -1.635 1.571 9.209 1.00 11.33 H new ATOM 0 HB3 LYS A 442 -0.393 0.370 9.504 1.00 11.33 H new ATOM 0 HG2 LYS A 442 1.256 2.165 9.935 1.00 72.14 H new ATOM 0 HG3 LYS A 442 0.035 3.378 9.607 1.00 72.14 H new ATOM 0 HD2 LYS A 442 -0.083 1.301 11.835 1.00 14.21 H new ATOM 0 HD3 LYS A 442 0.312 2.996 12.041 1.00 14.21 H new ATOM 0 HE2 LYS A 442 -1.940 3.631 11.188 1.00 21.43 H new ATOM 0 HE3 LYS A 442 -2.336 1.939 10.960 1.00 21.43 H new ATOM 0 HZ1 LYS A 442 -3.234 2.779 13.016 1.00 2.44 H new ATOM 0 HZ2 LYS A 442 -2.070 1.585 13.334 1.00 2.44 H new ATOM 0 HZ3 LYS A 442 -1.687 3.224 13.556 1.00 2.44 H new ATOM 1248 N MET A 443 2.128 1.930 7.301 1.00 40.04 N ATOM 1249 CA MET A 443 3.523 1.661 7.101 1.00 33.30 C ATOM 1250 C MET A 443 4.322 2.617 7.896 1.00 14.35 C ATOM 1251 O MET A 443 3.788 3.597 8.423 1.00 34.02 O ATOM 1252 CB MET A 443 3.934 1.812 5.637 1.00 20.32 C ATOM 1253 CG MET A 443 3.313 0.830 4.678 1.00 21.22 C ATOM 1254 SD MET A 443 3.970 1.009 3.015 1.00 54.12 S ATOM 1255 CE MET A 443 5.714 0.694 3.319 1.00 34.15 C ATOM 0 H MET A 443 1.895 2.923 7.318 1.00 40.04 H new ATOM 0 HA MET A 443 3.703 0.631 7.411 1.00 33.30 H new ATOM 0 HB2 MET A 443 3.680 2.820 5.310 1.00 20.32 H new ATOM 0 HB3 MET A 443 5.018 1.719 5.572 1.00 20.32 H new ATOM 0 HG2 MET A 443 3.492 -0.185 5.032 1.00 21.22 H new ATOM 0 HG3 MET A 443 2.233 0.975 4.659 1.00 21.22 H new ATOM 0 HE1 MET A 443 6.206 0.434 2.382 1.00 34.15 H new ATOM 0 HE2 MET A 443 6.178 1.588 3.736 1.00 34.15 H new ATOM 0 HE3 MET A 443 5.817 -0.131 4.024 1.00 34.15 H new ATOM 1265 N LYS A 444 5.582 2.355 8.003 1.00 53.54 N ATOM 1266 CA LYS A 444 6.473 3.246 8.669 1.00 71.44 C ATOM 1267 C LYS A 444 7.685 3.418 7.813 1.00 51.43 C ATOM 1268 O LYS A 444 7.957 2.586 6.941 1.00 32.31 O ATOM 1269 CB LYS A 444 6.902 2.719 10.018 1.00 45.13 C ATOM 1270 CG LYS A 444 5.791 2.336 10.921 1.00 20.51 C ATOM 1271 CD LYS A 444 5.115 3.545 11.480 1.00 4.44 C ATOM 1272 CE LYS A 444 3.938 3.115 12.280 1.00 43.45 C ATOM 1273 NZ LYS A 444 3.235 4.215 12.974 1.00 61.23 N ATOM 0 H LYS A 444 6.024 1.515 7.630 1.00 53.54 H new ATOM 0 HA LYS A 444 5.955 4.191 8.831 1.00 71.44 H new ATOM 0 HB2 LYS A 444 7.543 1.850 9.865 1.00 45.13 H new ATOM 0 HB3 LYS A 444 7.507 3.479 10.513 1.00 45.13 H new ATOM 0 HG2 LYS A 444 5.067 1.730 10.376 1.00 20.51 H new ATOM 0 HG3 LYS A 444 6.175 1.720 11.735 1.00 20.51 H new ATOM 0 HD2 LYS A 444 5.808 4.109 12.104 1.00 4.44 H new ATOM 0 HD3 LYS A 444 4.800 4.207 10.673 1.00 4.44 H new ATOM 0 HE2 LYS A 444 3.233 2.608 11.622 1.00 43.45 H new ATOM 0 HE3 LYS A 444 4.265 2.385 13.020 1.00 43.45 H new ATOM 0 HZ1 LYS A 444 2.921 3.890 13.910 1.00 61.23 H new ATOM 0 HZ2 LYS A 444 3.880 5.023 13.087 1.00 61.23 H new ATOM 0 HZ3 LYS A 444 2.409 4.507 12.414 1.00 61.23 H new ATOM 1287 N SER A 445 8.388 4.465 8.056 1.00 60.42 N ATOM 1288 CA SER A 445 9.589 4.792 7.314 1.00 43.13 C ATOM 1289 C SER A 445 10.374 5.873 8.048 1.00 20.54 C ATOM 1290 O SER A 445 9.778 6.740 8.698 1.00 60.14 O ATOM 1291 CB SER A 445 9.208 5.318 5.913 1.00 35.10 C ATOM 1292 OG SER A 445 10.357 5.674 5.160 1.00 53.52 O ATOM 0 H SER A 445 8.156 5.140 8.784 1.00 60.42 H new ATOM 0 HA SER A 445 10.200 3.894 7.220 1.00 43.13 H new ATOM 0 HB2 SER A 445 8.643 4.554 5.378 1.00 35.10 H new ATOM 0 HB3 SER A 445 8.555 6.185 6.014 1.00 35.10 H new ATOM 0 HG SER A 445 10.746 4.870 4.757 1.00 53.52 H new ATOM 1298 N PRO A 446 11.718 5.842 7.978 1.00 23.32 N ATOM 1299 CA PRO A 446 12.553 6.898 8.554 1.00 42.04 C ATOM 1300 C PRO A 446 12.352 8.207 7.786 1.00 13.45 C ATOM 1301 O PRO A 446 12.469 9.305 8.336 1.00 54.13 O ATOM 1302 CB PRO A 446 13.987 6.376 8.365 1.00 14.44 C ATOM 1303 CG PRO A 446 13.895 5.387 7.252 1.00 35.21 C ATOM 1304 CD PRO A 446 12.531 4.773 7.355 1.00 5.31 C ATOM 0 HA PRO A 446 12.316 7.109 9.597 1.00 42.04 H new ATOM 0 HB2 PRO A 446 14.672 7.186 8.117 1.00 14.44 H new ATOM 0 HB3 PRO A 446 14.361 5.910 9.277 1.00 14.44 H new ATOM 0 HG2 PRO A 446 14.032 5.873 6.286 1.00 35.21 H new ATOM 0 HG3 PRO A 446 14.672 4.628 7.340 1.00 35.21 H new ATOM 0 HD2 PRO A 446 12.142 4.492 6.376 1.00 5.31 H new ATOM 0 HD3 PRO A 446 12.542 3.870 7.965 1.00 5.31 H new ATOM 1312 N ALA A 447 11.984 8.070 6.520 1.00 52.31 N ATOM 1313 CA ALA A 447 11.762 9.194 5.648 1.00 25.22 C ATOM 1314 C ALA A 447 10.402 9.812 5.923 1.00 42.14 C ATOM 1315 O ALA A 447 10.169 10.988 5.634 1.00 31.25 O ATOM 1316 CB ALA A 447 11.875 8.754 4.194 1.00 45.15 C ATOM 0 H ALA A 447 11.832 7.165 6.074 1.00 52.31 H new ATOM 0 HA ALA A 447 12.523 9.950 5.840 1.00 25.22 H new ATOM 0 HB1 ALA A 447 11.706 9.610 3.541 1.00 45.15 H new ATOM 0 HB2 ALA A 447 12.871 8.350 4.012 1.00 45.15 H new ATOM 0 HB3 ALA A 447 11.129 7.987 3.987 1.00 45.15 H new ATOM 1322 N ALA A 448 9.513 9.029 6.519 1.00 3.31 N ATOM 1323 CA ALA A 448 8.165 9.492 6.829 1.00 41.41 C ATOM 1324 C ALA A 448 8.121 10.124 8.187 1.00 24.21 C ATOM 1325 O ALA A 448 7.055 10.419 8.715 1.00 14.22 O ATOM 1326 CB ALA A 448 7.206 8.343 6.794 1.00 12.45 C ATOM 0 H ALA A 448 9.701 8.066 6.799 1.00 3.31 H new ATOM 0 HA ALA A 448 7.881 10.232 6.081 1.00 41.41 H new ATOM 0 HB1 ALA A 448 6.203 8.699 7.027 1.00 12.45 H new ATOM 0 HB2 ALA A 448 7.211 7.895 5.800 1.00 12.45 H new ATOM 0 HB3 ALA A 448 7.506 7.596 7.530 1.00 12.45 H new