USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 346 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 405 SER OG : rot -177:sc= -0.112 USER MOD Set 1.2: A 420 ASN : amide:sc= -3.09! C(o=-3.2!,f=-11!) USER MOD Single : A 383 LYS NZ :NH3+ -126:sc= -0.615 (180deg=-2.46!) USER MOD Single : A 384 SER OG : rot 180:sc= -0.127 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.341 F(o=-3.1!,f=-0.34) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 407 HIS : no HE2:sc= -0.35 K(o=-0.35,f=-2.1) USER MOD Single : A 408 LYS NZ :NH3+ -145:sc= 0.83 (180deg=-0.545) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= -0.281 K(o=-0.28,f=-1.3) USER MOD Single : A 418 GLN :FLIP amide:sc= -0.294 F(o=-1.1,f=-0.29) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ 179:sc= 1.07 (180deg=1.07) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0381) USER MOD Single : A 427 SER OG : rot 180:sc= -0.142 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -9.194 16.753 3.013 1.00 0.00 N ATOM 2 CA GLY A 382 -8.063 16.309 3.860 1.00 0.00 C ATOM 3 C GLY A 382 -7.947 14.802 3.916 1.00 0.00 C ATOM 4 O GLY A 382 -7.981 14.206 4.993 1.00 0.00 O ATOM 0 HA2 GLY A 382 -7.135 16.729 3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -8.192 16.699 4.869 1.00 0.00 H new ATOM 10 N LYS A 383 -7.808 14.180 2.754 1.00 0.00 N ATOM 11 CA LYS A 383 -7.678 12.733 2.670 1.00 0.00 C ATOM 12 C LYS A 383 -7.165 12.333 1.295 1.00 0.00 C ATOM 13 O LYS A 383 -7.506 12.956 0.291 1.00 0.00 O ATOM 14 CB LYS A 383 -9.018 12.035 2.948 1.00 0.00 C ATOM 15 CG LYS A 383 -10.141 12.464 2.018 1.00 0.00 C ATOM 16 CD LYS A 383 -11.411 11.646 2.223 1.00 0.00 C ATOM 17 CE LYS A 383 -12.015 11.842 3.608 1.00 0.00 C ATOM 18 NZ LYS A 383 -11.370 10.982 4.637 1.00 0.00 N ATOM 0 H LYS A 383 -7.782 14.657 1.853 1.00 0.00 H new ATOM 0 HA LYS A 383 -6.964 12.416 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.880 10.957 2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.315 12.237 3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.361 13.519 2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.811 12.364 0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.145 11.926 1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.187 10.590 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.917 12.888 3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.082 11.621 3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.097 10.426 5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.694 10.338 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.867 11.580 5.323 1.00 0.00 H new ATOM 32 N SER A 384 -6.329 11.310 1.264 1.00 0.00 N ATOM 33 CA SER A 384 -5.764 10.803 0.022 1.00 0.00 C ATOM 34 C SER A 384 -5.390 9.334 0.192 1.00 0.00 C ATOM 35 O SER A 384 -4.530 8.995 1.006 1.00 0.00 O ATOM 36 CB SER A 384 -4.528 11.619 -0.370 1.00 0.00 C ATOM 37 OG SER A 384 -4.829 13.003 -0.453 1.00 0.00 O ATOM 0 H SER A 384 -6.022 10.807 2.097 1.00 0.00 H new ATOM 0 HA SER A 384 -6.506 10.895 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 384 -3.737 11.460 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 384 -4.148 11.269 -1.330 1.00 0.00 H new ATOM 0 HG SER A 384 -4.022 13.499 -0.703 1.00 0.00 H new ATOM 43 N PRO A 385 -6.090 8.435 -0.516 1.00 0.00 N ATOM 44 CA PRO A 385 -5.893 6.986 -0.387 1.00 0.00 C ATOM 45 C PRO A 385 -4.474 6.545 -0.735 1.00 0.00 C ATOM 46 O PRO A 385 -3.907 5.675 -0.076 1.00 0.00 O ATOM 47 CB PRO A 385 -6.905 6.383 -1.368 1.00 0.00 C ATOM 48 CG PRO A 385 -7.305 7.505 -2.263 1.00 0.00 C ATOM 49 CD PRO A 385 -7.188 8.752 -1.438 1.00 0.00 C ATOM 0 HA PRO A 385 -6.039 6.658 0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.462 5.566 -1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.767 5.974 -0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.659 7.555 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.324 7.371 -2.626 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.960 9.623 -2.053 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.113 8.971 -0.904 1.00 0.00 H new ATOM 57 N GLU A 386 -3.873 7.169 -1.737 1.00 0.00 N ATOM 58 CA GLU A 386 -2.502 6.839 -2.092 1.00 0.00 C ATOM 59 C GLU A 386 -1.558 7.243 -0.969 1.00 0.00 C ATOM 60 O GLU A 386 -0.687 6.469 -0.570 1.00 0.00 O ATOM 61 CB GLU A 386 -2.091 7.516 -3.400 1.00 0.00 C ATOM 62 CG GLU A 386 -0.677 7.162 -3.832 1.00 0.00 C ATOM 63 CD GLU A 386 -0.386 7.523 -5.272 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.376 8.724 -5.603 1.00 0.00 O ATOM 65 OE2 GLU A 386 -0.166 6.600 -6.081 1.00 0.00 O ATOM 0 H GLU A 386 -4.304 7.894 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.440 5.761 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.788 7.228 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.170 8.597 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.033 7.676 -3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.519 6.093 -3.693 1.00 0.00 H new ATOM 72 N ALA A 387 -1.782 8.431 -0.422 1.00 0.00 N ATOM 73 CA ALA A 387 -0.979 8.936 0.682 1.00 0.00 C ATOM 74 C ALA A 387 -1.113 8.047 1.912 1.00 0.00 C ATOM 75 O ALA A 387 -0.121 7.747 2.584 1.00 0.00 O ATOM 76 CB ALA A 387 -1.379 10.365 1.017 1.00 0.00 C ATOM 0 H ALA A 387 -2.519 9.066 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 387 0.066 8.926 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.770 10.729 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.223 11.000 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.431 10.391 1.302 1.00 0.00 H new ATOM 82 N GLU A 388 -2.342 7.645 2.222 1.00 0.00 N ATOM 83 CA GLU A 388 -2.588 6.820 3.397 1.00 0.00 C ATOM 84 C GLU A 388 -1.900 5.465 3.253 1.00 0.00 C ATOM 85 O GLU A 388 -1.317 4.951 4.207 1.00 0.00 O ATOM 86 CB GLU A 388 -4.091 6.658 3.659 1.00 0.00 C ATOM 87 CG GLU A 388 -4.803 5.686 2.740 1.00 0.00 C ATOM 88 CD GLU A 388 -6.297 5.644 2.978 1.00 0.00 C ATOM 89 OE1 GLU A 388 -6.795 6.404 3.837 1.00 0.00 O ATOM 90 OE2 GLU A 388 -6.983 4.851 2.306 1.00 0.00 O ATOM 0 H GLU A 388 -3.175 7.875 1.681 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.161 7.326 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.231 6.329 4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.567 7.634 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.612 5.966 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.388 4.688 2.882 1.00 0.00 H new ATOM 97 N CYS A 389 -1.923 4.916 2.047 1.00 0.00 N ATOM 98 CA CYS A 389 -1.227 3.672 1.771 1.00 0.00 C ATOM 99 C CYS A 389 0.292 3.864 1.827 1.00 0.00 C ATOM 100 O CYS A 389 1.008 3.038 2.382 1.00 0.00 O ATOM 101 CB CYS A 389 -1.623 3.138 0.393 1.00 0.00 C ATOM 102 SG CYS A 389 -3.369 2.633 0.240 1.00 0.00 S ATOM 0 H CYS A 389 -2.416 5.313 1.247 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.515 2.952 2.537 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.415 3.906 -0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.990 2.283 0.155 1.00 0.00 H new ATOM 107 N ASN A 390 0.778 4.932 1.195 1.00 0.00 N ATOM 108 CA ASN A 390 2.221 5.169 1.045 1.00 0.00 C ATOM 109 C ASN A 390 2.976 5.172 2.372 1.00 0.00 C ATOM 110 O ASN A 390 4.134 4.757 2.425 1.00 0.00 O ATOM 111 CB ASN A 390 2.483 6.488 0.308 1.00 0.00 C ATOM 112 CG ASN A 390 2.427 6.350 -1.207 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.283 5.128 -1.697 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.546 7.336 -1.934 1.00 0.00 N flip ATOM 0 H ASN A 390 0.192 5.654 0.775 1.00 0.00 H new ATOM 0 HA ASN A 390 2.599 4.331 0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.748 7.227 0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.463 6.869 0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.655 8.263 -1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.535 7.226 -2.948 1.00 0.00 H new ATOM 121 N LYS A 391 2.368 5.735 3.409 1.00 0.00 N ATOM 122 CA LYS A 391 3.042 5.879 4.698 1.00 0.00 C ATOM 123 C LYS A 391 3.302 4.530 5.369 1.00 0.00 C ATOM 124 O LYS A 391 4.211 4.412 6.193 1.00 0.00 O ATOM 125 CB LYS A 391 2.251 6.793 5.638 1.00 0.00 C ATOM 126 CG LYS A 391 0.846 6.302 5.951 1.00 0.00 C ATOM 127 CD LYS A 391 0.140 7.221 6.937 1.00 0.00 C ATOM 128 CE LYS A 391 0.057 8.646 6.415 1.00 0.00 C ATOM 129 NZ LYS A 391 -0.672 9.543 7.349 1.00 0.00 N ATOM 0 H LYS A 391 1.415 6.098 3.386 1.00 0.00 H new ATOM 0 HA LYS A 391 4.009 6.339 4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 391 2.803 6.899 6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 391 2.186 7.785 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 391 0.267 6.242 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.895 5.294 6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -0.865 6.845 7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 391 0.672 7.212 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 391 1.064 9.032 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -0.443 8.648 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -0.704 10.504 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -1.641 9.191 7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -0.181 9.563 8.266 1.00 0.00 H new ATOM 143 N ILE A 392 2.492 3.527 5.040 1.00 0.00 N ATOM 144 CA ILE A 392 2.647 2.199 5.626 1.00 0.00 C ATOM 145 C ILE A 392 3.996 1.588 5.238 1.00 0.00 C ATOM 146 O ILE A 392 4.362 1.566 4.062 1.00 0.00 O ATOM 147 CB ILE A 392 1.518 1.241 5.181 1.00 0.00 C ATOM 148 CG1 ILE A 392 0.142 1.810 5.541 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.700 -0.138 5.803 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.044 2.070 7.022 1.00 0.00 C ATOM 0 H ILE A 392 1.724 3.608 4.373 1.00 0.00 H new ATOM 0 HA ILE A 392 2.596 2.324 6.708 1.00 0.00 H new ATOM 0 HB ILE A 392 1.575 1.141 4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.009 2.742 4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.627 1.115 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.894 -0.794 5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.657 -0.555 5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.679 -0.053 6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.042 2.472 7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 392 0.074 1.137 7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.702 2.789 7.362 1.00 0.00 H new ATOM 162 N THR A 393 4.734 1.102 6.226 1.00 0.00 N ATOM 163 CA THR A 393 6.041 0.512 5.979 1.00 0.00 C ATOM 164 C THR A 393 6.035 -0.989 6.252 1.00 0.00 C ATOM 165 O THR A 393 6.981 -1.696 5.905 1.00 0.00 O ATOM 166 CB THR A 393 7.130 1.188 6.832 1.00 0.00 C ATOM 167 OG1 THR A 393 6.739 1.199 8.212 1.00 0.00 O ATOM 168 CG2 THR A 393 7.376 2.610 6.357 1.00 0.00 C ATOM 0 H THR A 393 4.450 1.105 7.206 1.00 0.00 H new ATOM 0 HA THR A 393 6.268 0.675 4.925 1.00 0.00 H new ATOM 0 HB THR A 393 8.053 0.619 6.724 1.00 0.00 H new ATOM 0 HG1 THR A 393 7.438 1.629 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 393 8.149 3.071 6.972 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.701 2.595 5.317 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.454 3.186 6.441 1.00 0.00 H new ATOM 176 N GLU A 394 4.980 -1.469 6.899 1.00 0.00 N ATOM 177 CA GLU A 394 4.862 -2.883 7.215 1.00 0.00 C ATOM 178 C GLU A 394 4.026 -3.613 6.166 1.00 0.00 C ATOM 179 O GLU A 394 2.911 -3.191 5.849 1.00 0.00 O ATOM 180 CB GLU A 394 4.251 -3.072 8.604 1.00 0.00 C ATOM 181 CG GLU A 394 5.111 -2.522 9.733 1.00 0.00 C ATOM 182 CD GLU A 394 6.443 -3.235 9.857 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.280 -3.121 8.937 1.00 0.00 O ATOM 184 OE2 GLU A 394 6.659 -3.917 10.880 1.00 0.00 O ATOM 0 H GLU A 394 4.195 -0.898 7.214 1.00 0.00 H new ATOM 0 HA GLU A 394 5.864 -3.312 7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.276 -2.585 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.081 -4.135 8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.287 -1.459 9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.568 -2.610 10.674 1.00 0.00 H new ATOM 191 N GLU A 395 4.548 -4.738 5.682 1.00 0.00 N ATOM 192 CA GLU A 395 3.842 -5.571 4.714 1.00 0.00 C ATOM 193 C GLU A 395 2.528 -6.104 5.303 1.00 0.00 C ATOM 194 O GLU A 395 1.478 -5.953 4.678 1.00 0.00 O ATOM 195 CB GLU A 395 4.743 -6.724 4.236 1.00 0.00 C ATOM 196 CG GLU A 395 4.125 -7.579 3.136 1.00 0.00 C ATOM 197 CD GLU A 395 5.068 -8.650 2.616 1.00 0.00 C ATOM 198 OE1 GLU A 395 5.586 -9.437 3.435 1.00 0.00 O ATOM 199 OE2 GLU A 395 5.276 -8.730 1.382 1.00 0.00 O ATOM 0 H GLU A 395 5.466 -5.095 5.948 1.00 0.00 H new ATOM 0 HA GLU A 395 3.592 -4.955 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.684 -6.310 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 395 4.981 -7.362 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.220 -8.053 3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.824 -6.936 2.309 1.00 0.00 H new ATOM 206 N PRO A 396 2.541 -6.702 6.525 1.00 0.00 N ATOM 207 CA PRO A 396 1.315 -7.201 7.162 1.00 0.00 C ATOM 208 C PRO A 396 0.232 -6.131 7.257 1.00 0.00 C ATOM 209 O PRO A 396 -0.937 -6.389 6.962 1.00 0.00 O ATOM 210 CB PRO A 396 1.772 -7.614 8.566 1.00 0.00 C ATOM 211 CG PRO A 396 3.225 -7.889 8.426 1.00 0.00 C ATOM 212 CD PRO A 396 3.724 -6.928 7.386 1.00 0.00 C ATOM 0 HA PRO A 396 0.870 -8.014 6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.587 -6.822 9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.234 -8.496 8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.744 -7.744 9.374 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.400 -8.921 8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.077 -5.999 7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.557 -7.346 6.821 1.00 0.00 H new ATOM 220 N LYS A 397 0.627 -4.924 7.650 1.00 0.00 N ATOM 221 CA LYS A 397 -0.311 -3.816 7.765 1.00 0.00 C ATOM 222 C LYS A 397 -0.864 -3.430 6.401 1.00 0.00 C ATOM 223 O LYS A 397 -2.074 -3.319 6.225 1.00 0.00 O ATOM 224 CB LYS A 397 0.356 -2.597 8.400 1.00 0.00 C ATOM 225 CG LYS A 397 0.758 -2.792 9.850 1.00 0.00 C ATOM 226 CD LYS A 397 1.277 -1.494 10.443 1.00 0.00 C ATOM 227 CE LYS A 397 1.640 -1.650 11.909 1.00 0.00 C ATOM 228 NZ LYS A 397 2.007 -0.349 12.527 1.00 0.00 N ATOM 0 H LYS A 397 1.589 -4.690 7.894 1.00 0.00 H new ATOM 0 HA LYS A 397 -1.130 -4.148 8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.242 -2.339 7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.326 -1.749 8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -0.098 -3.144 10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.526 -3.562 9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.153 -1.164 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.520 -0.717 10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 397 0.798 -2.084 12.448 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.473 -2.346 12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 2.248 -0.496 13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 2.826 0.053 12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 1.203 0.307 12.458 1.00 0.00 H new ATOM 242 N CYS A 398 0.032 -3.228 5.442 1.00 0.00 N ATOM 243 CA CYS A 398 -0.357 -2.814 4.099 1.00 0.00 C ATOM 244 C CYS A 398 -1.282 -3.840 3.460 1.00 0.00 C ATOM 245 O CYS A 398 -2.277 -3.489 2.826 1.00 0.00 O ATOM 246 CB CYS A 398 0.877 -2.628 3.226 1.00 0.00 C ATOM 247 SG CYS A 398 0.521 -1.890 1.604 1.00 0.00 S ATOM 0 H CYS A 398 1.037 -3.345 5.570 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.889 -1.866 4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.592 -1.997 3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.355 -3.596 3.078 1.00 0.00 H new ATOM 252 N SER A 399 -0.945 -5.108 3.643 1.00 0.00 N ATOM 253 CA SER A 399 -1.727 -6.201 3.096 1.00 0.00 C ATOM 254 C SER A 399 -3.129 -6.205 3.705 1.00 0.00 C ATOM 255 O SER A 399 -4.112 -6.499 3.022 1.00 0.00 O ATOM 256 CB SER A 399 -1.012 -7.530 3.363 1.00 0.00 C ATOM 257 OG SER A 399 -1.559 -8.586 2.586 1.00 0.00 O ATOM 0 H SER A 399 -0.125 -5.405 4.173 1.00 0.00 H new ATOM 0 HA SER A 399 -1.827 -6.069 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.049 -7.424 3.137 1.00 0.00 H new ATOM 0 HB3 SER A 399 -1.090 -7.779 4.421 1.00 0.00 H new ATOM 0 HG SER A 399 -1.079 -9.418 2.780 1.00 0.00 H new ATOM 263 N GLU A 400 -3.214 -5.834 4.979 1.00 0.00 N ATOM 264 CA GLU A 400 -4.492 -5.751 5.672 1.00 0.00 C ATOM 265 C GLU A 400 -5.300 -4.552 5.177 1.00 0.00 C ATOM 266 O GLU A 400 -6.513 -4.653 4.960 1.00 0.00 O ATOM 267 CB GLU A 400 -4.269 -5.644 7.181 1.00 0.00 C ATOM 268 CG GLU A 400 -5.555 -5.705 7.985 1.00 0.00 C ATOM 269 CD GLU A 400 -5.344 -5.457 9.462 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.213 -5.115 9.862 1.00 0.00 O ATOM 271 OE2 GLU A 400 -6.320 -5.591 10.232 1.00 0.00 O ATOM 0 H GLU A 400 -2.408 -5.585 5.553 1.00 0.00 H new ATOM 0 HA GLU A 400 -5.056 -6.659 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.610 -6.451 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.756 -4.707 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -6.255 -4.966 7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -6.015 -6.684 7.849 1.00 0.00 H new ATOM 278 N GLU A 401 -4.630 -3.411 5.026 1.00 0.00 N ATOM 279 CA GLU A 401 -5.285 -2.191 4.565 1.00 0.00 C ATOM 280 C GLU A 401 -5.886 -2.405 3.181 1.00 0.00 C ATOM 281 O GLU A 401 -5.188 -2.781 2.239 1.00 0.00 O ATOM 282 CB GLU A 401 -4.297 -1.020 4.510 1.00 0.00 C ATOM 283 CG GLU A 401 -3.633 -0.678 5.837 1.00 0.00 C ATOM 284 CD GLU A 401 -4.616 -0.286 6.921 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.252 -1.185 7.511 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.759 0.926 7.189 1.00 0.00 O ATOM 0 H GLU A 401 -3.633 -3.307 5.217 1.00 0.00 H new ATOM 0 HA GLU A 401 -6.076 -1.951 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.521 -1.253 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.822 -0.137 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.054 -1.537 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.930 0.140 5.682 1.00 0.00 H new ATOM 293 N LYS A 402 -7.180 -2.162 3.060 1.00 0.00 N ATOM 294 CA LYS A 402 -7.861 -2.318 1.792 1.00 0.00 C ATOM 295 C LYS A 402 -7.453 -1.205 0.836 1.00 0.00 C ATOM 296 O LYS A 402 -7.304 -0.057 1.250 1.00 0.00 O ATOM 297 CB LYS A 402 -9.378 -2.328 1.997 1.00 0.00 C ATOM 298 CG LYS A 402 -10.154 -2.613 0.725 1.00 0.00 C ATOM 299 CD LYS A 402 -11.246 -3.649 0.949 1.00 0.00 C ATOM 300 CE LYS A 402 -10.666 -5.037 1.192 1.00 0.00 C ATOM 301 NZ LYS A 402 -11.723 -6.039 1.487 1.00 0.00 N ATOM 0 H LYS A 402 -7.778 -1.856 3.827 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.571 -3.273 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.632 -3.079 2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.690 -1.363 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.600 -1.689 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.470 -2.967 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.856 -3.355 1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.905 -3.677 0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -10.102 -5.353 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -9.963 -4.996 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -11.285 -6.969 1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -12.245 -5.752 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -12.379 -6.098 0.682 1.00 0.00 H new ATOM 315 N ILE A 403 -7.275 -1.569 -0.435 1.00 0.00 N ATOM 316 CA ILE A 403 -6.894 -0.639 -1.499 1.00 0.00 C ATOM 317 C ILE A 403 -5.399 -0.302 -1.463 1.00 0.00 C ATOM 318 O ILE A 403 -4.834 0.189 -2.448 1.00 0.00 O ATOM 319 CB ILE A 403 -7.774 0.629 -1.465 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.498 0.806 -2.806 1.00 0.00 C ATOM 321 CG2 ILE A 403 -6.982 1.883 -1.099 1.00 0.00 C ATOM 322 CD1 ILE A 403 -7.584 0.868 -4.008 1.00 0.00 C ATOM 0 H ILE A 403 -7.393 -2.529 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.073 -1.139 -2.451 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.514 0.491 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -9.197 -0.020 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -9.089 1.721 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -7.649 2.745 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -6.538 1.757 -0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.193 2.043 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -8.180 0.994 -4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -6.901 1.711 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -7.011 -0.056 -4.077 1.00 0.00 H new ATOM 334 N CYS A 404 -4.727 -0.745 -0.417 1.00 0.00 N ATOM 335 CA CYS A 404 -3.281 -0.661 -0.370 1.00 0.00 C ATOM 336 C CYS A 404 -2.689 -2.012 -0.752 1.00 0.00 C ATOM 337 O CYS A 404 -3.300 -3.053 -0.510 1.00 0.00 O ATOM 338 CB CYS A 404 -2.808 -0.256 1.028 1.00 0.00 C ATOM 339 SG CYS A 404 -3.606 1.242 1.698 1.00 0.00 S ATOM 0 H CYS A 404 -5.157 -1.164 0.407 1.00 0.00 H new ATOM 0 HA CYS A 404 -2.945 0.100 -1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -2.989 -1.085 1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.730 -0.096 1.000 1.00 0.00 H new ATOM 344 N SER A 405 -1.538 -2.001 -1.397 1.00 0.00 N ATOM 345 CA SER A 405 -0.893 -3.234 -1.817 1.00 0.00 C ATOM 346 C SER A 405 0.617 -3.103 -1.700 1.00 0.00 C ATOM 347 O SER A 405 1.160 -1.998 -1.797 1.00 0.00 O ATOM 348 CB SER A 405 -1.290 -3.582 -3.251 1.00 0.00 C ATOM 349 OG SER A 405 -2.686 -3.820 -3.348 1.00 0.00 O ATOM 0 H SER A 405 -1.029 -1.152 -1.642 1.00 0.00 H new ATOM 0 HA SER A 405 -1.224 -4.041 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.009 -2.767 -3.918 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.743 -4.466 -3.579 1.00 0.00 H new ATOM 0 HG SER A 405 -2.910 -4.086 -4.264 1.00 0.00 H new ATOM 355 N TRP A 406 1.275 -4.204 -1.364 1.00 0.00 N ATOM 356 CA TRP A 406 2.708 -4.184 -1.134 1.00 0.00 C ATOM 357 C TRP A 406 3.483 -4.096 -2.449 1.00 0.00 C ATOM 358 O TRP A 406 2.929 -4.303 -3.531 1.00 0.00 O ATOM 359 CB TRP A 406 3.153 -5.408 -0.337 1.00 0.00 C ATOM 360 CG TRP A 406 4.443 -5.180 0.387 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.604 -5.880 0.246 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.705 -4.173 1.369 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.569 -5.370 1.073 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.042 -4.325 1.777 1.00 0.00 C ATOM 365 CE3 TRP A 406 3.938 -3.161 1.946 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.628 -3.502 2.728 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.523 -2.345 2.892 1.00 0.00 C ATOM 368 CH2 TRP A 406 5.854 -2.521 3.274 1.00 0.00 C ATOM 0 H TRP A 406 0.839 -5.118 -1.246 1.00 0.00 H new ATOM 0 HA TRP A 406 2.931 -3.291 -0.549 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.378 -5.671 0.382 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.263 -6.257 -1.012 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.743 -6.717 -0.422 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.526 -5.715 1.151 1.00 0.00 H new ATOM 0 HE3 TRP A 406 2.907 -3.019 1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 7.658 -3.633 3.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 3.941 -1.556 3.345 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.280 -1.865 4.019 1.00 0.00 H new ATOM 379 N HIS A 407 4.712 -3.619 -2.341 1.00 0.00 N ATOM 380 CA HIS A 407 5.542 -3.293 -3.491 1.00 0.00 C ATOM 381 C HIS A 407 7.014 -3.487 -3.115 1.00 0.00 C ATOM 382 O HIS A 407 7.754 -2.519 -2.962 1.00 0.00 O ATOM 383 CB HIS A 407 5.269 -1.834 -3.888 1.00 0.00 C ATOM 384 CG HIS A 407 5.850 -1.390 -5.195 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.172 -1.556 -5.534 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.282 -0.725 -6.229 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.390 -1.018 -6.715 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.262 -0.508 -7.159 1.00 0.00 N ATOM 0 H HIS A 407 5.167 -3.445 -1.445 1.00 0.00 H new ATOM 0 HA HIS A 407 5.311 -3.943 -4.335 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.190 -1.683 -3.923 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.656 -1.186 -3.102 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.874 -2.023 -4.960 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.248 -0.422 -6.305 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.337 -0.999 -7.233 1.00 0.00 H new ATOM 397 N LYS A 408 7.388 -4.734 -2.839 1.00 0.00 N ATOM 398 CA LYS A 408 8.736 -5.067 -2.360 1.00 0.00 C ATOM 399 C LYS A 408 9.843 -4.476 -3.240 1.00 0.00 C ATOM 400 O LYS A 408 10.851 -3.978 -2.733 1.00 0.00 O ATOM 401 CB LYS A 408 8.913 -6.589 -2.274 1.00 0.00 C ATOM 402 CG LYS A 408 8.330 -7.194 -1.009 1.00 0.00 C ATOM 403 CD LYS A 408 8.501 -8.703 -0.962 1.00 0.00 C ATOM 404 CE LYS A 408 7.464 -9.412 -1.816 1.00 0.00 C ATOM 405 NZ LYS A 408 6.084 -9.261 -1.275 1.00 0.00 N ATOM 0 H LYS A 408 6.772 -5.541 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 408 8.830 -4.622 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.440 -7.052 -3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.975 -6.827 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 408 8.813 -6.748 -0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 408 7.270 -6.948 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 408 9.500 -8.967 -1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 408 8.420 -9.047 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 408 7.499 -9.015 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 408 7.713 -10.471 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 5.544 -10.132 -1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 6.130 -9.084 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 5.613 -8.461 -1.743 1.00 0.00 H new ATOM 419 N GLU A 409 9.677 -4.590 -4.552 1.00 0.00 N ATOM 420 CA GLU A 409 10.688 -4.139 -5.508 1.00 0.00 C ATOM 421 C GLU A 409 10.615 -2.627 -5.732 1.00 0.00 C ATOM 422 O GLU A 409 10.183 -2.167 -6.789 1.00 0.00 O ATOM 423 CB GLU A 409 10.504 -4.876 -6.839 1.00 0.00 C ATOM 424 CG GLU A 409 11.619 -4.631 -7.842 1.00 0.00 C ATOM 425 CD GLU A 409 11.284 -5.146 -9.226 1.00 0.00 C ATOM 426 OE1 GLU A 409 10.150 -5.625 -9.435 1.00 0.00 O ATOM 427 OE2 GLU A 409 12.153 -5.064 -10.120 1.00 0.00 O ATOM 0 H GLU A 409 8.846 -4.994 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 409 11.671 -4.366 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.434 -5.946 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.557 -4.571 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.825 -3.562 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.531 -5.113 -7.490 1.00 0.00 H new ATOM 434 N VAL A 410 10.947 -1.855 -4.710 1.00 0.00 N ATOM 435 CA VAL A 410 10.837 -0.404 -4.792 1.00 0.00 C ATOM 436 C VAL A 410 11.992 0.243 -5.554 1.00 0.00 C ATOM 437 O VAL A 410 13.140 0.235 -5.105 1.00 0.00 O ATOM 438 CB VAL A 410 10.733 0.253 -3.404 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.327 0.112 -2.859 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.745 -0.342 -2.436 1.00 0.00 C ATOM 0 H VAL A 410 11.294 -2.205 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 410 9.915 -0.229 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 410 10.961 1.313 -3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.269 0.581 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.624 0.598 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.075 -0.945 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.647 0.142 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.561 -1.411 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.753 -0.184 -2.820 1.00 0.00 H new ATOM 450 N LYS A 411 11.633 0.971 -6.595 1.00 0.00 N ATOM 451 CA LYS A 411 12.563 1.842 -7.293 1.00 0.00 C ATOM 452 C LYS A 411 12.469 3.228 -6.660 1.00 0.00 C ATOM 453 O LYS A 411 11.483 3.517 -5.978 1.00 0.00 O ATOM 454 CB LYS A 411 12.207 1.883 -8.786 1.00 0.00 C ATOM 455 CG LYS A 411 13.124 2.753 -9.632 1.00 0.00 C ATOM 456 CD LYS A 411 12.913 2.508 -11.120 1.00 0.00 C ATOM 457 CE LYS A 411 11.489 2.821 -11.561 1.00 0.00 C ATOM 458 NZ LYS A 411 11.206 4.280 -11.543 1.00 0.00 N ATOM 0 H LYS A 411 10.689 0.976 -6.981 1.00 0.00 H new ATOM 0 HA LYS A 411 13.586 1.475 -7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.228 0.867 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 411 11.184 2.245 -8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 411 12.940 3.803 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.163 2.548 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 411 13.611 3.122 -11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 411 13.142 1.468 -11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 411 11.328 2.433 -12.567 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.786 2.308 -10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 10.227 4.447 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 11.334 4.647 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 11.859 4.768 -12.188 1.00 0.00 H new ATOM 472 N ALA A 412 13.508 4.044 -6.795 1.00 0.00 N ATOM 473 CA ALA A 412 13.510 5.372 -6.187 1.00 0.00 C ATOM 474 C ALA A 412 12.271 6.158 -6.611 1.00 0.00 C ATOM 475 O ALA A 412 11.954 6.244 -7.798 1.00 0.00 O ATOM 476 CB ALA A 412 14.778 6.124 -6.562 1.00 0.00 C ATOM 0 H ALA A 412 14.354 3.813 -7.316 1.00 0.00 H new ATOM 0 HA ALA A 412 13.486 5.257 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 412 14.765 7.112 -6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 412 15.648 5.570 -6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 412 14.831 6.230 -7.646 1.00 0.00 H new ATOM 482 N GLY A 413 11.521 6.641 -5.629 1.00 0.00 N ATOM 483 CA GLY A 413 10.278 7.329 -5.912 1.00 0.00 C ATOM 484 C GLY A 413 9.068 6.488 -5.553 1.00 0.00 C ATOM 485 O GLY A 413 8.052 7.010 -5.091 1.00 0.00 O ATOM 0 H GLY A 413 11.753 6.568 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 413 10.247 8.265 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 413 10.239 7.587 -6.970 1.00 0.00 H new ATOM 489 N GLU A 414 9.185 5.180 -5.736 1.00 0.00 N ATOM 490 CA GLU A 414 8.108 4.260 -5.394 1.00 0.00 C ATOM 491 C GLU A 414 7.987 4.111 -3.881 1.00 0.00 C ATOM 492 O GLU A 414 8.878 4.515 -3.131 1.00 0.00 O ATOM 493 CB GLU A 414 8.350 2.887 -6.019 1.00 0.00 C ATOM 494 CG GLU A 414 8.476 2.912 -7.532 1.00 0.00 C ATOM 495 CD GLU A 414 7.182 3.294 -8.217 1.00 0.00 C ATOM 496 OE1 GLU A 414 6.172 2.588 -8.024 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.169 4.293 -8.960 1.00 0.00 O ATOM 0 H GLU A 414 10.016 4.731 -6.120 1.00 0.00 H new ATOM 0 HA GLU A 414 7.180 4.674 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.260 2.461 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.530 2.224 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 414 9.256 3.619 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.792 1.930 -7.883 1.00 0.00 H new ATOM 504 N LYS A 415 6.932 3.443 -3.451 1.00 0.00 N ATOM 505 CA LYS A 415 6.730 3.150 -2.042 1.00 0.00 C ATOM 506 C LYS A 415 6.388 1.686 -1.869 1.00 0.00 C ATOM 507 O LYS A 415 5.823 1.072 -2.777 1.00 0.00 O ATOM 508 CB LYS A 415 5.620 4.025 -1.458 1.00 0.00 C ATOM 509 CG LYS A 415 6.034 5.471 -1.242 1.00 0.00 C ATOM 510 CD LYS A 415 7.149 5.576 -0.216 1.00 0.00 C ATOM 511 CE LYS A 415 7.566 7.023 -0.001 1.00 0.00 C ATOM 512 NZ LYS A 415 8.670 7.146 0.989 1.00 0.00 N ATOM 0 H LYS A 415 6.196 3.090 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 415 7.653 3.370 -1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 415 4.759 3.998 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.298 3.602 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.364 5.902 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.174 6.052 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.818 5.146 0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 415 8.008 4.993 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 415 7.882 7.454 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 415 6.707 7.600 0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 8.922 8.148 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 8.361 6.759 1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 9.499 6.617 0.652 1.00 0.00 H new ATOM 526 N ASN A 416 6.806 1.108 -0.752 1.00 0.00 N ATOM 527 CA ASN A 416 6.564 -0.304 -0.500 1.00 0.00 C ATOM 528 C ASN A 416 5.077 -0.548 -0.329 1.00 0.00 C ATOM 529 O ASN A 416 4.514 -1.425 -0.963 1.00 0.00 O ATOM 530 CB ASN A 416 7.325 -0.807 0.726 1.00 0.00 C ATOM 531 CG ASN A 416 8.828 -0.766 0.544 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.434 0.307 0.511 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.443 -1.932 0.408 1.00 0.00 N ATOM 0 H ASN A 416 7.311 1.592 -0.010 1.00 0.00 H new ATOM 0 HA ASN A 416 6.931 -0.862 -1.361 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.052 -0.202 1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.018 -1.830 0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.453 -1.963 0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.906 -2.799 0.441 1.00 0.00 H new ATOM 540 N CYS A 417 4.412 0.332 0.387 1.00 0.00 N ATOM 541 CA CYS A 417 2.967 0.295 0.420 1.00 0.00 C ATOM 542 C CYS A 417 2.436 1.413 -0.453 1.00 0.00 C ATOM 543 O CYS A 417 2.901 2.549 -0.367 1.00 0.00 O ATOM 544 CB CYS A 417 2.433 0.431 1.840 1.00 0.00 C ATOM 545 SG CYS A 417 0.648 0.095 1.976 1.00 0.00 S ATOM 0 H CYS A 417 4.840 1.070 0.946 1.00 0.00 H new ATOM 0 HA CYS A 417 2.629 -0.670 0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 417 2.975 -0.255 2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.634 1.440 2.201 1.00 0.00 H new ATOM 550 N GLN A 418 1.562 1.076 -1.380 1.00 0.00 N ATOM 551 CA GLN A 418 1.093 2.054 -2.342 1.00 0.00 C ATOM 552 C GLN A 418 -0.295 1.729 -2.858 1.00 0.00 C ATOM 553 O GLN A 418 -0.752 0.587 -2.783 1.00 0.00 O ATOM 554 CB GLN A 418 2.093 2.205 -3.501 1.00 0.00 C ATOM 555 CG GLN A 418 2.795 0.921 -3.925 1.00 0.00 C ATOM 556 CD GLN A 418 1.929 -0.003 -4.751 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.840 -1.253 -4.334 1.00 0.00 O flip ATOM 558 NE2 GLN A 418 1.369 0.394 -5.773 1.00 0.00 N flip ATOM 0 H GLN A 418 1.165 0.143 -1.488 1.00 0.00 H new ATOM 0 HA GLN A 418 1.023 3.009 -1.822 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.566 2.614 -4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.849 2.936 -3.214 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.686 1.177 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.130 0.390 -3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.463 1.368 -6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.811 -0.251 -6.332 1.00 0.00 H new ATOM 567 N PHE A 419 -0.978 2.773 -3.303 1.00 0.00 N ATOM 568 CA PHE A 419 -2.337 2.674 -3.808 1.00 0.00 C ATOM 569 C PHE A 419 -2.375 1.747 -5.015 1.00 0.00 C ATOM 570 O PHE A 419 -1.644 1.962 -5.985 1.00 0.00 O ATOM 571 CB PHE A 419 -2.808 4.071 -4.205 1.00 0.00 C ATOM 572 CG PHE A 419 -4.271 4.180 -4.496 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.204 3.849 -3.533 1.00 0.00 C ATOM 574 CD2 PHE A 419 -4.709 4.644 -5.724 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.555 3.975 -3.791 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.057 4.774 -5.988 1.00 0.00 C ATOM 577 CZ PHE A 419 -6.981 4.437 -5.020 1.00 0.00 C ATOM 0 H PHE A 419 -0.600 3.720 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 419 -2.993 2.266 -3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.559 4.765 -3.402 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.252 4.390 -5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -4.874 3.488 -2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -3.988 4.907 -6.484 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.277 3.712 -3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.388 5.138 -6.949 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.037 4.535 -5.224 1.00 0.00 H new ATOM 587 N ASN A 420 -3.153 0.675 -4.928 1.00 0.00 N ATOM 588 CA ASN A 420 -3.176 -0.309 -6.009 1.00 0.00 C ATOM 589 C ASN A 420 -4.031 0.158 -7.186 1.00 0.00 C ATOM 590 O ASN A 420 -3.791 -0.247 -8.322 1.00 0.00 O ATOM 591 CB ASN A 420 -3.625 -1.694 -5.520 1.00 0.00 C ATOM 592 CG ASN A 420 -5.033 -1.746 -4.952 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.984 -1.238 -5.538 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.182 -2.425 -3.827 1.00 0.00 N ATOM 0 H ASN A 420 -3.765 0.465 -4.139 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.149 -0.404 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.558 -2.396 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.928 -2.037 -4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -6.110 -2.540 -3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.369 -2.834 -3.367 1.00 0.00 H new ATOM 601 N SER A 421 -5.021 1.007 -6.902 1.00 0.00 N ATOM 602 CA SER A 421 -5.929 1.535 -7.920 1.00 0.00 C ATOM 603 C SER A 421 -6.821 0.433 -8.496 1.00 0.00 C ATOM 604 O SER A 421 -6.463 -0.234 -9.467 1.00 0.00 O ATOM 605 CB SER A 421 -5.142 2.240 -9.038 1.00 0.00 C ATOM 606 OG SER A 421 -6.004 2.784 -10.022 1.00 0.00 O ATOM 0 H SER A 421 -5.215 1.347 -5.960 1.00 0.00 H new ATOM 0 HA SER A 421 -6.576 2.269 -7.440 1.00 0.00 H new ATOM 0 HB2 SER A 421 -4.532 3.035 -8.608 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.458 1.531 -9.505 1.00 0.00 H new ATOM 0 HG SER A 421 -5.471 3.226 -10.716 1.00 0.00 H new ATOM 612 N THR A 422 -8.018 0.309 -7.924 1.00 0.00 N ATOM 613 CA THR A 422 -9.025 -0.645 -8.389 1.00 0.00 C ATOM 614 C THR A 422 -8.461 -2.075 -8.456 1.00 0.00 C ATOM 615 O THR A 422 -8.677 -2.813 -9.424 1.00 0.00 O ATOM 616 CB THR A 422 -9.596 -0.217 -9.761 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.831 1.200 -9.762 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.907 -0.934 -10.059 1.00 0.00 C ATOM 0 H THR A 422 -8.317 0.867 -7.125 1.00 0.00 H new ATOM 0 HA THR A 422 -9.838 -0.644 -7.663 1.00 0.00 H new ATOM 0 HB THR A 422 -8.869 -0.483 -10.528 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.191 1.471 -10.632 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.285 -0.613 -11.030 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.738 -2.011 -10.073 1.00 0.00 H new ATOM 0 HG23 THR A 422 -11.638 -0.692 -9.287 1.00 0.00 H new ATOM 626 N LYS A 423 -7.732 -2.451 -7.413 1.00 0.00 N ATOM 627 CA LYS A 423 -7.147 -3.774 -7.304 1.00 0.00 C ATOM 628 C LYS A 423 -7.170 -4.228 -5.849 1.00 0.00 C ATOM 629 O LYS A 423 -6.364 -5.058 -5.435 1.00 0.00 O ATOM 630 CB LYS A 423 -5.703 -3.753 -7.810 1.00 0.00 C ATOM 631 CG LYS A 423 -5.569 -3.706 -9.323 1.00 0.00 C ATOM 632 CD LYS A 423 -5.966 -5.026 -9.962 1.00 0.00 C ATOM 633 CE LYS A 423 -4.750 -5.882 -10.292 1.00 0.00 C ATOM 634 NZ LYS A 423 -3.995 -6.298 -9.078 1.00 0.00 N ATOM 0 H LYS A 423 -7.531 -1.843 -6.619 1.00 0.00 H new ATOM 0 HA LYS A 423 -7.728 -4.468 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.195 -2.887 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.188 -4.639 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.195 -2.907 -9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -4.540 -3.467 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -6.624 -5.574 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -6.533 -4.833 -10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -5.072 -6.770 -10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -4.087 -5.325 -10.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -3.188 -6.892 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -3.648 -5.454 -8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -4.621 -6.839 -8.448 1.00 0.00 H new ATOM 648 N ALA A 424 -8.094 -3.660 -5.076 1.00 0.00 N ATOM 649 CA ALA A 424 -8.210 -3.955 -3.650 1.00 0.00 C ATOM 650 C ALA A 424 -8.686 -5.381 -3.415 1.00 0.00 C ATOM 651 O ALA A 424 -9.890 -5.646 -3.408 1.00 0.00 O ATOM 652 CB ALA A 424 -9.156 -2.969 -2.985 1.00 0.00 C ATOM 0 H ALA A 424 -8.779 -2.986 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 424 -7.220 -3.855 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -9.234 -3.200 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -8.772 -1.956 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -10.141 -3.043 -3.445 1.00 0.00 H new ATOM 658 N SER A 425 -7.729 -6.302 -3.307 1.00 0.00 N ATOM 659 CA SER A 425 -8.012 -7.728 -3.154 1.00 0.00 C ATOM 660 C SER A 425 -8.824 -8.245 -4.342 1.00 0.00 C ATOM 661 O SER A 425 -9.441 -9.313 -4.286 1.00 0.00 O ATOM 662 CB SER A 425 -8.746 -7.982 -1.837 1.00 0.00 C ATOM 663 OG SER A 425 -8.028 -7.418 -0.749 1.00 0.00 O ATOM 0 H SER A 425 -6.734 -6.079 -3.323 1.00 0.00 H new ATOM 0 HA SER A 425 -7.068 -8.272 -3.131 1.00 0.00 H new ATOM 0 HB2 SER A 425 -9.746 -7.551 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 425 -8.868 -9.054 -1.683 1.00 0.00 H new ATOM 0 HG SER A 425 -8.512 -7.588 0.086 1.00 0.00 H new ATOM 669 N LYS A 426 -8.767 -7.495 -5.434 1.00 0.00 N ATOM 670 CA LYS A 426 -9.459 -7.855 -6.659 1.00 0.00 C ATOM 671 C LYS A 426 -8.675 -8.932 -7.388 1.00 0.00 C ATOM 672 O LYS A 426 -9.221 -9.964 -7.780 1.00 0.00 O ATOM 673 CB LYS A 426 -9.612 -6.618 -7.549 1.00 0.00 C ATOM 674 CG LYS A 426 -10.453 -6.852 -8.792 1.00 0.00 C ATOM 675 CD LYS A 426 -10.433 -5.640 -9.707 1.00 0.00 C ATOM 676 CE LYS A 426 -11.363 -5.814 -10.899 1.00 0.00 C ATOM 677 NZ LYS A 426 -12.796 -5.746 -10.508 1.00 0.00 N ATOM 0 H LYS A 426 -8.241 -6.623 -5.493 1.00 0.00 H new ATOM 0 HA LYS A 426 -10.450 -8.239 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -10.062 -5.816 -6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -8.622 -6.276 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -10.077 -7.723 -9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -11.480 -7.075 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -10.727 -4.755 -9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -9.416 -5.469 -10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -11.153 -5.041 -11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -11.164 -6.773 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -13.389 -5.733 -11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -13.038 -6.577 -9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -12.965 -4.880 -9.957 1.00 0.00 H new ATOM 691 N SER A 427 -7.378 -8.702 -7.498 1.00 0.00 N ATOM 692 CA SER A 427 -6.467 -9.632 -8.135 1.00 0.00 C ATOM 693 C SER A 427 -5.039 -9.236 -7.791 1.00 0.00 C ATOM 694 O SER A 427 -4.849 -8.099 -7.309 1.00 0.00 O ATOM 695 CB SER A 427 -6.684 -9.632 -9.653 1.00 0.00 C ATOM 696 OG SER A 427 -6.841 -8.311 -10.146 1.00 0.00 O ATOM 697 OXT SER A 427 -4.118 -10.058 -7.978 1.00 0.00 O ATOM 0 H SER A 427 -6.926 -7.858 -7.145 1.00 0.00 H new ATOM 0 HA SER A 427 -6.656 -10.642 -7.772 1.00 0.00 H new ATOM 0 HB2 SER A 427 -5.836 -10.109 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 427 -7.567 -10.222 -9.897 1.00 0.00 H new ATOM 0 HG SER A 427 -6.976 -8.338 -11.116 1.00 0.00 H new TER 703 SER A 427