USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 305 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 1:sc= 1.24 USER MOD Set 1.2: A 420 ASN : amide:sc= -2.18! C(o=-0.94!,f=-6.3!) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.118 F(o=-0.88!,f=-0.12) USER MOD Single : A 391 LYS NZ :NH3+ -159:sc= 0.94 (180deg=0.594) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 LYS NZ :NH3+ -166:sc= -0.0134 (180deg=-0.247) 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 : +bothHN:sc= -0.921 K(o=-0.92,f=-2.5) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ -175:sc= 0.573 (180deg=0.503) USER MOD Single : A 416 ASN : amide:sc= -0.376 K(o=-0.38,f=-2.1) USER MOD Single : A 418 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.23) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -6.967 11.363 0.255 1.00 0.00 N ATOM 33 CA SER A 384 -6.226 10.625 -0.754 1.00 0.00 C ATOM 34 C SER A 384 -5.891 9.219 -0.273 1.00 0.00 C ATOM 35 O SER A 384 -5.176 9.037 0.714 1.00 0.00 O ATOM 36 CB SER A 384 -4.945 11.381 -1.125 1.00 0.00 C ATOM 37 OG SER A 384 -4.282 10.769 -2.222 1.00 0.00 O ATOM 0 HA SER A 384 -6.855 10.535 -1.640 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.189 12.413 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 384 -4.276 11.411 -0.265 1.00 0.00 H new ATOM 0 HG SER A 384 -3.470 11.274 -2.437 1.00 0.00 H new ATOM 43 N PRO A 385 -6.375 8.203 -1.000 1.00 0.00 N ATOM 44 CA PRO A 385 -6.109 6.798 -0.685 1.00 0.00 C ATOM 45 C PRO A 385 -4.626 6.451 -0.821 1.00 0.00 C ATOM 46 O PRO A 385 -4.083 5.693 -0.016 1.00 0.00 O ATOM 47 CB PRO A 385 -6.954 6.031 -1.705 1.00 0.00 C ATOM 48 CG PRO A 385 -7.167 6.986 -2.829 1.00 0.00 C ATOM 49 CD PRO A 385 -7.202 8.353 -2.211 1.00 0.00 C ATOM 0 HA PRO A 385 -6.360 6.552 0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.441 5.131 -2.044 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.903 5.714 -1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.364 6.910 -3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.099 6.771 -3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.796 9.108 -2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.220 8.658 -1.967 1.00 0.00 H new ATOM 57 N GLU A 386 -3.958 7.087 -1.784 1.00 0.00 N ATOM 58 CA GLU A 386 -2.519 6.924 -1.963 1.00 0.00 C ATOM 59 C GLU A 386 -1.782 7.343 -0.698 1.00 0.00 C ATOM 60 O GLU A 386 -0.972 6.589 -0.159 1.00 0.00 O ATOM 61 CB GLU A 386 -2.037 7.753 -3.163 1.00 0.00 C ATOM 62 CG GLU A 386 -0.521 7.897 -3.273 1.00 0.00 C ATOM 63 CD GLU A 386 0.200 6.594 -3.577 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.463 5.548 -3.720 1.00 0.00 O ATOM 65 OE2 GLU A 386 1.445 6.616 -3.681 1.00 0.00 O ATOM 0 H GLU A 386 -4.394 7.721 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.305 5.873 -2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.412 7.294 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.479 8.747 -3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.290 8.620 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.136 8.305 -2.339 1.00 0.00 H new ATOM 72 N ALA A 387 -2.143 8.511 -0.180 1.00 0.00 N ATOM 73 CA ALA A 387 -1.560 9.026 1.051 1.00 0.00 C ATOM 74 C ALA A 387 -1.808 8.076 2.220 1.00 0.00 C ATOM 75 O ALA A 387 -0.942 7.890 3.074 1.00 0.00 O ATOM 76 CB ALA A 387 -2.116 10.407 1.353 1.00 0.00 C ATOM 0 H ALA A 387 -2.843 9.123 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.482 9.104 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.674 10.783 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.875 11.083 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -3.198 10.346 1.468 1.00 0.00 H new ATOM 82 N GLU A 388 -2.991 7.475 2.249 1.00 0.00 N ATOM 83 CA GLU A 388 -3.337 6.532 3.302 1.00 0.00 C ATOM 84 C GLU A 388 -2.454 5.295 3.232 1.00 0.00 C ATOM 85 O GLU A 388 -1.904 4.858 4.243 1.00 0.00 O ATOM 86 CB GLU A 388 -4.807 6.130 3.210 1.00 0.00 C ATOM 87 CG GLU A 388 -5.775 7.296 3.332 1.00 0.00 C ATOM 88 CD GLU A 388 -5.640 8.057 4.638 1.00 0.00 C ATOM 89 OE1 GLU A 388 -4.737 7.745 5.441 1.00 0.00 O ATOM 90 OE2 GLU A 388 -6.442 8.984 4.869 1.00 0.00 O ATOM 0 H GLU A 388 -3.725 7.624 1.556 1.00 0.00 H new ATOM 0 HA GLU A 388 -3.170 7.026 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.977 5.628 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.025 5.406 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.612 7.983 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.795 6.923 3.241 1.00 0.00 H new ATOM 97 N CYS A 389 -2.317 4.737 2.037 1.00 0.00 N ATOM 98 CA CYS A 389 -1.486 3.564 1.839 1.00 0.00 C ATOM 99 C CYS A 389 -0.014 3.879 2.109 1.00 0.00 C ATOM 100 O CYS A 389 0.691 3.093 2.732 1.00 0.00 O ATOM 101 CB CYS A 389 -1.663 3.040 0.418 1.00 0.00 C ATOM 102 SG CYS A 389 -3.361 2.505 0.025 1.00 0.00 S ATOM 0 H CYS A 389 -2.772 5.080 1.191 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.799 2.797 2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.368 3.820 -0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.985 2.200 0.265 1.00 0.00 H new ATOM 107 N ASN A 390 0.437 5.045 1.652 1.00 0.00 N ATOM 108 CA ASN A 390 1.837 5.462 1.811 1.00 0.00 C ATOM 109 C ASN A 390 2.301 5.420 3.266 1.00 0.00 C ATOM 110 O ASN A 390 3.504 5.437 3.536 1.00 0.00 O ATOM 111 CB ASN A 390 2.049 6.879 1.264 1.00 0.00 C ATOM 112 CG ASN A 390 2.028 6.968 -0.255 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.024 5.830 -0.935 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.035 8.064 -0.814 1.00 0.00 N flip ATOM 0 H ASN A 390 -0.147 5.725 1.165 1.00 0.00 H new ATOM 0 HA ASN A 390 2.433 4.748 1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.274 7.532 1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.005 7.258 1.626 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.038 8.920 -0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.038 8.117 -1.833 1.00 0.00 H new ATOM 121 N LYS A 391 1.354 5.455 4.194 1.00 0.00 N ATOM 122 CA LYS A 391 1.670 5.496 5.617 1.00 0.00 C ATOM 123 C LYS A 391 2.416 4.240 6.087 1.00 0.00 C ATOM 124 O LYS A 391 3.291 4.328 6.947 1.00 0.00 O ATOM 125 CB LYS A 391 0.393 5.673 6.442 1.00 0.00 C ATOM 126 CG LYS A 391 -0.239 7.049 6.310 1.00 0.00 C ATOM 127 CD LYS A 391 -1.478 7.171 7.183 1.00 0.00 C ATOM 128 CE LYS A 391 -2.010 8.596 7.215 1.00 0.00 C ATOM 129 NZ LYS A 391 -2.477 9.060 5.882 1.00 0.00 N ATOM 0 H LYS A 391 0.355 5.456 3.986 1.00 0.00 H new ATOM 0 HA LYS A 391 2.330 6.350 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 391 -0.333 4.920 6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.622 5.488 7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 391 0.485 7.813 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -0.505 7.232 5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -2.253 6.502 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -1.241 6.849 8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -2.834 8.657 7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -1.228 9.264 7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -2.491 10.100 5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -1.832 8.708 5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -3.435 8.697 5.704 1.00 0.00 H new ATOM 143 N ILE A 392 1.978 3.067 5.638 1.00 0.00 N ATOM 144 CA ILE A 392 2.516 1.815 6.162 1.00 0.00 C ATOM 145 C ILE A 392 3.944 1.542 5.678 1.00 0.00 C ATOM 146 O ILE A 392 4.251 1.698 4.496 1.00 0.00 O ATOM 147 CB ILE A 392 1.639 0.615 5.772 1.00 0.00 C ATOM 148 CG1 ILE A 392 0.157 0.923 5.966 1.00 0.00 C ATOM 149 CG2 ILE A 392 2.028 -0.599 6.594 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.188 1.527 7.315 1.00 0.00 C ATOM 0 H ILE A 392 1.261 2.957 4.921 1.00 0.00 H new ATOM 0 HA ILE A 392 2.525 1.933 7.246 1.00 0.00 H new ATOM 0 HB ILE A 392 1.804 0.406 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.164 1.609 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.412 0.002 5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 392 1.402 -1.445 6.312 1.00 0.00 H new ATOM 0 HG22 ILE A 392 3.074 -0.844 6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.888 -0.381 7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.261 1.714 7.366 1.00 0.00 H new ATOM 0 HD12 ILE A 392 0.098 0.835 8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.350 2.466 7.441 1.00 0.00 H new ATOM 162 N THR A 393 4.773 1.008 6.574 1.00 0.00 N ATOM 163 CA THR A 393 6.115 0.567 6.218 1.00 0.00 C ATOM 164 C THR A 393 6.298 -0.911 6.571 1.00 0.00 C ATOM 165 O THR A 393 7.400 -1.368 6.877 1.00 0.00 O ATOM 166 CB THR A 393 7.192 1.410 6.931 1.00 0.00 C ATOM 167 OG1 THR A 393 6.871 1.547 8.323 1.00 0.00 O ATOM 168 CG2 THR A 393 7.304 2.785 6.297 1.00 0.00 C ATOM 0 H THR A 393 4.534 0.871 7.556 1.00 0.00 H new ATOM 0 HA THR A 393 6.234 0.701 5.143 1.00 0.00 H new ATOM 0 HB THR A 393 8.149 0.897 6.829 1.00 0.00 H new ATOM 0 HG1 THR A 393 7.562 2.082 8.767 1.00 0.00 H new ATOM 0 HG21 THR A 393 8.069 3.363 6.815 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.577 2.680 5.247 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.346 3.300 6.373 1.00 0.00 H new ATOM 176 N GLU A 394 5.203 -1.657 6.483 1.00 0.00 N ATOM 177 CA GLU A 394 5.200 -3.087 6.769 1.00 0.00 C ATOM 178 C GLU A 394 4.323 -3.821 5.763 1.00 0.00 C ATOM 179 O GLU A 394 3.212 -3.386 5.468 1.00 0.00 O ATOM 180 CB GLU A 394 4.679 -3.345 8.184 1.00 0.00 C ATOM 181 CG GLU A 394 5.701 -3.090 9.278 1.00 0.00 C ATOM 182 CD GLU A 394 6.695 -4.224 9.411 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.431 -4.499 8.444 1.00 0.00 O ATOM 184 OE2 GLU A 394 6.736 -4.856 10.487 1.00 0.00 O ATOM 0 H GLU A 394 4.292 -1.288 6.211 1.00 0.00 H new ATOM 0 HA GLU A 394 6.223 -3.456 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.809 -2.712 8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.340 -4.379 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.236 -2.164 9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.186 -2.948 10.228 1.00 0.00 H new ATOM 191 N GLU A 395 4.834 -4.927 5.237 1.00 0.00 N ATOM 192 CA GLU A 395 4.123 -5.726 4.247 1.00 0.00 C ATOM 193 C GLU A 395 2.793 -6.263 4.805 1.00 0.00 C ATOM 194 O GLU A 395 1.740 -6.023 4.211 1.00 0.00 O ATOM 195 CB GLU A 395 5.036 -6.864 3.757 1.00 0.00 C ATOM 196 CG GLU A 395 4.518 -7.618 2.541 1.00 0.00 C ATOM 197 CD GLU A 395 3.637 -8.795 2.898 1.00 0.00 C ATOM 198 OE1 GLU A 395 4.094 -9.672 3.655 1.00 0.00 O ATOM 199 OE2 GLU A 395 2.494 -8.862 2.399 1.00 0.00 O ATOM 0 H GLU A 395 5.752 -5.295 5.484 1.00 0.00 H new ATOM 0 HA GLU A 395 3.868 -5.092 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.015 -6.449 3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.180 -7.573 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.956 -6.931 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 395 5.365 -7.972 1.953 1.00 0.00 H new ATOM 206 N PRO A 396 2.795 -6.950 5.975 1.00 0.00 N ATOM 207 CA PRO A 396 1.560 -7.479 6.571 1.00 0.00 C ATOM 208 C PRO A 396 0.566 -6.373 6.919 1.00 0.00 C ATOM 209 O PRO A 396 -0.628 -6.487 6.642 1.00 0.00 O ATOM 210 CB PRO A 396 2.033 -8.184 7.847 1.00 0.00 C ATOM 211 CG PRO A 396 3.493 -8.405 7.654 1.00 0.00 C ATOM 212 CD PRO A 396 3.972 -7.263 6.808 1.00 0.00 C ATOM 0 HA PRO A 396 1.034 -8.138 5.880 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.841 -7.573 8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.508 -9.128 7.993 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.015 -8.428 8.611 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.682 -9.360 7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.275 -6.410 7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.833 -7.544 6.201 1.00 0.00 H new ATOM 220 N LYS A 397 1.071 -5.297 7.511 1.00 0.00 N ATOM 221 CA LYS A 397 0.232 -4.175 7.909 1.00 0.00 C ATOM 222 C LYS A 397 -0.399 -3.498 6.693 1.00 0.00 C ATOM 223 O LYS A 397 -1.605 -3.256 6.666 1.00 0.00 O ATOM 224 CB LYS A 397 1.049 -3.160 8.711 1.00 0.00 C ATOM 225 CG LYS A 397 1.649 -3.722 9.991 1.00 0.00 C ATOM 226 CD LYS A 397 0.579 -4.187 10.968 1.00 0.00 C ATOM 227 CE LYS A 397 -0.268 -3.033 11.490 1.00 0.00 C ATOM 228 NZ LYS A 397 0.547 -2.026 12.219 1.00 0.00 N ATOM 0 H LYS A 397 2.061 -5.179 7.726 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.571 -4.562 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.853 -2.778 8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.411 -2.313 8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 397 2.305 -4.558 9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 397 2.267 -2.960 10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -0.066 -4.915 10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 397 1.053 -4.696 11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -0.777 -2.551 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -1.041 -3.422 12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -0.081 -1.393 12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 1.192 -2.511 12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 1.101 -1.469 11.538 1.00 0.00 H new ATOM 242 N CYS A 398 0.418 -3.241 5.675 1.00 0.00 N ATOM 243 CA CYS A 398 -0.048 -2.634 4.427 1.00 0.00 C ATOM 244 C CYS A 398 -1.113 -3.512 3.781 1.00 0.00 C ATOM 245 O CYS A 398 -2.066 -3.022 3.176 1.00 0.00 O ATOM 246 CB CYS A 398 1.129 -2.469 3.466 1.00 0.00 C ATOM 247 SG CYS A 398 0.705 -1.685 1.881 1.00 0.00 S ATOM 0 H CYS A 398 1.417 -3.446 5.689 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.479 -1.658 4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.901 -1.875 3.956 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.560 -3.450 3.268 1.00 0.00 H new ATOM 252 N SER A 399 -0.918 -4.818 3.899 1.00 0.00 N ATOM 253 CA SER A 399 -1.817 -5.797 3.318 1.00 0.00 C ATOM 254 C SER A 399 -3.212 -5.705 3.950 1.00 0.00 C ATOM 255 O SER A 399 -4.228 -5.884 3.274 1.00 0.00 O ATOM 256 CB SER A 399 -1.225 -7.197 3.507 1.00 0.00 C ATOM 257 OG SER A 399 -1.824 -8.140 2.634 1.00 0.00 O ATOM 0 H SER A 399 -0.130 -5.226 4.402 1.00 0.00 H new ATOM 0 HA SER A 399 -1.927 -5.593 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 399 -0.150 -7.165 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 399 -1.366 -7.516 4.540 1.00 0.00 H new ATOM 0 HG SER A 399 -1.422 -9.022 2.780 1.00 0.00 H new ATOM 263 N GLU A 400 -3.254 -5.418 5.250 1.00 0.00 N ATOM 264 CA GLU A 400 -4.519 -5.281 5.969 1.00 0.00 C ATOM 265 C GLU A 400 -5.254 -4.010 5.554 1.00 0.00 C ATOM 266 O GLU A 400 -6.485 -3.977 5.513 1.00 0.00 O ATOM 267 CB GLU A 400 -4.281 -5.276 7.478 1.00 0.00 C ATOM 268 CG GLU A 400 -3.691 -6.573 7.997 1.00 0.00 C ATOM 269 CD GLU A 400 -3.550 -6.600 9.505 1.00 0.00 C ATOM 270 OE1 GLU A 400 -3.905 -5.603 10.169 1.00 0.00 O ATOM 271 OE2 GLU A 400 -3.082 -7.625 10.038 1.00 0.00 O ATOM 0 H GLU A 400 -2.425 -5.276 5.827 1.00 0.00 H new ATOM 0 HA GLU A 400 -5.142 -6.138 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.611 -4.454 7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.226 -5.085 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.322 -7.404 7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.712 -6.727 7.544 1.00 0.00 H new ATOM 278 N GLU A 401 -4.491 -2.978 5.216 1.00 0.00 N ATOM 279 CA GLU A 401 -5.056 -1.715 4.755 1.00 0.00 C ATOM 280 C GLU A 401 -5.928 -1.936 3.526 1.00 0.00 C ATOM 281 O GLU A 401 -5.558 -2.687 2.620 1.00 0.00 O ATOM 282 CB GLU A 401 -3.947 -0.724 4.410 1.00 0.00 C ATOM 283 CG GLU A 401 -3.049 -0.362 5.573 1.00 0.00 C ATOM 284 CD GLU A 401 -3.795 0.329 6.689 1.00 0.00 C ATOM 285 OE1 GLU A 401 -4.374 1.405 6.445 1.00 0.00 O ATOM 286 OE2 GLU A 401 -3.799 -0.193 7.820 1.00 0.00 O ATOM 0 H GLU A 401 -3.472 -2.991 5.253 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.665 -1.308 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.336 -1.145 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.399 0.187 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.580 -1.266 5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.248 0.287 5.220 1.00 0.00 H new ATOM 293 N LYS A 402 -7.088 -1.296 3.503 1.00 0.00 N ATOM 294 CA LYS A 402 -7.999 -1.429 2.387 1.00 0.00 C ATOM 295 C LYS A 402 -7.413 -0.787 1.137 1.00 0.00 C ATOM 296 O LYS A 402 -6.918 0.337 1.190 1.00 0.00 O ATOM 297 CB LYS A 402 -9.350 -0.794 2.709 1.00 0.00 C ATOM 298 CG LYS A 402 -10.370 -1.011 1.612 1.00 0.00 C ATOM 299 CD LYS A 402 -11.723 -0.422 1.960 1.00 0.00 C ATOM 300 CE LYS A 402 -12.702 -0.599 0.813 1.00 0.00 C ATOM 301 NZ LYS A 402 -14.067 -0.136 1.166 1.00 0.00 N ATOM 0 H LYS A 402 -7.416 -0.680 4.247 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.148 -2.493 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.730 -1.211 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.216 0.276 2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.007 -0.561 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.478 -2.079 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -12.115 -0.904 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.614 0.638 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -12.346 -0.045 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -12.739 -1.650 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -14.702 -0.276 0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -14.419 -0.681 1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -14.038 0.874 1.413 1.00 0.00 H new ATOM 315 N ILE A 403 -7.492 -1.526 0.028 1.00 0.00 N ATOM 316 CA ILE A 403 -7.033 -1.087 -1.296 1.00 0.00 C ATOM 317 C ILE A 403 -5.572 -0.599 -1.278 1.00 0.00 C ATOM 318 O ILE A 403 -5.107 0.074 -2.203 1.00 0.00 O ATOM 319 CB ILE A 403 -8.000 -0.031 -1.905 1.00 0.00 C ATOM 320 CG1 ILE A 403 -7.923 -0.044 -3.432 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.727 1.369 -1.378 1.00 0.00 C ATOM 322 CD1 ILE A 403 -8.949 0.848 -4.096 1.00 0.00 C ATOM 0 H ILE A 403 -7.885 -2.467 0.023 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.051 -1.959 -1.950 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.008 -0.308 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -6.926 0.271 -3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.058 -1.066 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.426 2.071 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.852 1.381 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.707 1.660 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -8.836 0.789 -5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -9.951 0.520 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -8.801 1.878 -3.771 1.00 0.00 H new ATOM 334 N CYS A 404 -4.805 -1.121 -0.330 1.00 0.00 N ATOM 335 CA CYS A 404 -3.373 -0.888 -0.295 1.00 0.00 C ATOM 336 C CYS A 404 -2.641 -2.194 -0.573 1.00 0.00 C ATOM 337 O CYS A 404 -3.171 -3.277 -0.308 1.00 0.00 O ATOM 338 CB CYS A 404 -2.954 -0.323 1.062 1.00 0.00 C ATOM 339 SG CYS A 404 -3.815 1.219 1.526 1.00 0.00 S ATOM 0 H CYS A 404 -5.155 -1.710 0.426 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.112 -0.158 -1.061 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.139 -1.075 1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.880 -0.137 1.050 1.00 0.00 H new ATOM 344 N SER A 405 -1.475 -2.106 -1.188 1.00 0.00 N ATOM 345 CA SER A 405 -0.714 -3.297 -1.534 1.00 0.00 C ATOM 346 C SER A 405 0.780 -3.007 -1.509 1.00 0.00 C ATOM 347 O SER A 405 1.202 -1.861 -1.683 1.00 0.00 O ATOM 348 CB SER A 405 -1.134 -3.822 -2.905 1.00 0.00 C ATOM 349 OG SER A 405 -2.478 -4.276 -2.875 1.00 0.00 O ATOM 0 H SER A 405 -1.034 -1.227 -1.458 1.00 0.00 H new ATOM 0 HA SER A 405 -0.926 -4.065 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.027 -3.034 -3.651 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.476 -4.637 -3.206 1.00 0.00 H new ATOM 0 HG SER A 405 -2.849 -4.142 -1.978 1.00 0.00 H new ATOM 355 N TRP A 406 1.557 -4.017 -1.150 1.00 0.00 N ATOM 356 CA TRP A 406 2.989 -3.852 -0.971 1.00 0.00 C ATOM 357 C TRP A 406 3.720 -3.864 -2.310 1.00 0.00 C ATOM 358 O TRP A 406 3.652 -4.833 -3.071 1.00 0.00 O ATOM 359 CB TRP A 406 3.533 -4.956 -0.065 1.00 0.00 C ATOM 360 CG TRP A 406 4.851 -4.623 0.564 1.00 0.00 C ATOM 361 CD1 TRP A 406 6.035 -5.270 0.371 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.111 -3.585 1.512 1.00 0.00 C ATOM 363 NE1 TRP A 406 7.019 -4.689 1.122 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.480 -3.654 1.839 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.328 -2.600 2.115 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.073 -2.777 2.743 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.918 -1.731 3.013 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.280 -1.824 3.318 1.00 0.00 C ATOM 0 H TRP A 406 1.217 -4.963 -0.977 1.00 0.00 H new ATOM 0 HA TRP A 406 3.162 -2.883 -0.502 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.806 -5.160 0.721 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.639 -5.872 -0.646 1.00 0.00 H new ATOM 0 HD1 TRP A 406 6.176 -6.119 -0.281 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.997 -4.979 1.145 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.276 -2.518 1.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.124 -2.847 2.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.318 -0.968 3.487 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.713 -1.129 4.022 1.00 0.00 H new ATOM 379 N HIS A 407 4.443 -2.789 -2.558 1.00 0.00 N ATOM 380 CA HIS A 407 5.238 -2.615 -3.764 1.00 0.00 C ATOM 381 C HIS A 407 6.641 -3.169 -3.529 1.00 0.00 C ATOM 382 O HIS A 407 7.580 -2.411 -3.301 1.00 0.00 O ATOM 383 CB HIS A 407 5.280 -1.119 -4.102 1.00 0.00 C ATOM 384 CG HIS A 407 5.835 -0.763 -5.443 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.103 -1.095 -5.850 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.300 -0.029 -6.446 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.328 -0.579 -7.040 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.252 0.074 -7.428 1.00 0.00 N ATOM 0 H HIS A 407 4.497 -1.997 -1.918 1.00 0.00 H new ATOM 0 HA HIS A 407 4.799 -3.156 -4.602 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.267 -0.723 -4.034 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.872 -0.612 -3.340 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.767 -1.654 -5.314 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.308 0.397 -6.469 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.244 -0.675 -7.605 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.145 0.573 -8.311 1.00 0.00 H new ATOM 397 N LYS A 408 6.734 -4.491 -3.424 1.00 0.00 N ATOM 398 CA LYS A 408 7.975 -5.167 -3.044 1.00 0.00 C ATOM 399 C LYS A 408 9.170 -4.706 -3.878 1.00 0.00 C ATOM 400 O LYS A 408 10.208 -4.341 -3.329 1.00 0.00 O ATOM 401 CB LYS A 408 7.803 -6.682 -3.176 1.00 0.00 C ATOM 402 CG LYS A 408 6.753 -7.245 -2.235 1.00 0.00 C ATOM 403 CD LYS A 408 6.493 -8.722 -2.474 1.00 0.00 C ATOM 404 CE LYS A 408 5.429 -9.241 -1.520 1.00 0.00 C ATOM 405 NZ LYS A 408 5.113 -10.676 -1.746 1.00 0.00 N ATOM 0 H LYS A 408 5.954 -5.125 -3.599 1.00 0.00 H new ATOM 0 HA LYS A 408 8.183 -4.904 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.529 -6.923 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.758 -7.169 -2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.076 -7.098 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.823 -6.690 -2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 408 6.172 -8.878 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.416 -9.286 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 408 5.768 -9.104 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 408 4.521 -8.650 -1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 4.383 -10.981 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 4.763 -10.806 -2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 5.972 -11.246 -1.608 1.00 0.00 H new ATOM 419 N GLU A 409 9.024 -4.728 -5.196 1.00 0.00 N ATOM 420 CA GLU A 409 10.115 -4.341 -6.087 1.00 0.00 C ATOM 421 C GLU A 409 10.141 -2.825 -6.298 1.00 0.00 C ATOM 422 O GLU A 409 9.717 -2.323 -7.342 1.00 0.00 O ATOM 423 CB GLU A 409 9.985 -5.067 -7.427 1.00 0.00 C ATOM 424 CG GLU A 409 11.214 -4.946 -8.319 1.00 0.00 C ATOM 425 CD GLU A 409 12.463 -5.513 -7.676 1.00 0.00 C ATOM 426 OE1 GLU A 409 12.943 -4.939 -6.677 1.00 0.00 O ATOM 427 OE2 GLU A 409 12.965 -6.551 -8.155 1.00 0.00 O ATOM 0 H GLU A 409 8.166 -5.008 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 409 11.056 -4.631 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 409 9.788 -6.122 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.121 -4.671 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.027 -5.464 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.380 -3.896 -8.561 1.00 0.00 H new ATOM 434 N VAL A 410 10.586 -2.098 -5.283 1.00 0.00 N ATOM 435 CA VAL A 410 10.638 -0.643 -5.347 1.00 0.00 C ATOM 436 C VAL A 410 11.874 -0.130 -6.078 1.00 0.00 C ATOM 437 O VAL A 410 13.000 -0.289 -5.606 1.00 0.00 O ATOM 438 CB VAL A 410 10.594 0.005 -3.950 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.160 0.153 -3.475 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.410 -0.796 -2.943 1.00 0.00 C ATOM 0 H VAL A 410 10.917 -2.493 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 410 9.749 -0.356 -5.908 1.00 0.00 H new ATOM 0 HB VAL A 410 11.039 0.997 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.150 0.612 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.608 0.782 -4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 410 8.691 -0.829 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.359 -0.313 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.007 -1.806 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.448 -0.843 -3.271 1.00 0.00 H new ATOM 450 N LYS A 411 11.628 0.668 -7.105 1.00 0.00 N ATOM 451 CA LYS A 411 12.681 1.426 -7.754 1.00 0.00 C ATOM 452 C LYS A 411 12.885 2.710 -6.964 1.00 0.00 C ATOM 453 O LYS A 411 11.909 3.271 -6.465 1.00 0.00 O ATOM 454 CB LYS A 411 12.278 1.744 -9.200 1.00 0.00 C ATOM 455 CG LYS A 411 13.340 2.479 -10.002 1.00 0.00 C ATOM 456 CD LYS A 411 14.532 1.586 -10.309 1.00 0.00 C ATOM 457 CE LYS A 411 15.551 2.300 -11.183 1.00 0.00 C ATOM 458 NZ LYS A 411 16.692 1.416 -11.538 1.00 0.00 N ATOM 0 H LYS A 411 10.701 0.807 -7.508 1.00 0.00 H new ATOM 0 HA LYS A 411 13.608 0.853 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.036 0.812 -9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 411 11.369 2.346 -9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 411 12.906 2.840 -10.934 1.00 0.00 H new ATOM 0 HG3 LYS A 411 13.675 3.355 -9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 411 15.004 1.275 -9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 411 14.190 0.681 -10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 411 15.066 2.650 -12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 411 15.923 3.181 -10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 17.364 1.940 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 17.171 1.102 -10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 16.340 0.587 -12.059 1.00 0.00 H new ATOM 472 N ALA A 412 14.134 3.113 -6.755 1.00 0.00 N ATOM 473 CA ALA A 412 14.425 4.294 -5.947 1.00 0.00 C ATOM 474 C ALA A 412 13.617 5.491 -6.435 1.00 0.00 C ATOM 475 O ALA A 412 13.750 5.918 -7.586 1.00 0.00 O ATOM 476 CB ALA A 412 15.913 4.604 -5.978 1.00 0.00 C ATOM 0 H ALA A 412 14.957 2.643 -7.131 1.00 0.00 H new ATOM 0 HA ALA A 412 14.137 4.086 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.113 5.487 -5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.470 3.756 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 412 16.224 4.792 -7.006 1.00 0.00 H new ATOM 482 N GLY A 413 12.670 5.915 -5.611 1.00 0.00 N ATOM 483 CA GLY A 413 11.732 6.943 -6.012 1.00 0.00 C ATOM 484 C GLY A 413 10.304 6.530 -5.719 1.00 0.00 C ATOM 485 O GLY A 413 9.445 7.368 -5.437 1.00 0.00 O ATOM 0 H GLY A 413 12.534 5.562 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.960 7.871 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.843 7.144 -7.077 1.00 0.00 H new ATOM 489 N GLU A 414 10.061 5.226 -5.775 1.00 0.00 N ATOM 490 CA GLU A 414 8.744 4.662 -5.499 1.00 0.00 C ATOM 491 C GLU A 414 8.439 4.682 -4.001 1.00 0.00 C ATOM 492 O GLU A 414 9.147 5.320 -3.217 1.00 0.00 O ATOM 493 CB GLU A 414 8.687 3.220 -6.010 1.00 0.00 C ATOM 494 CG GLU A 414 8.800 3.094 -7.521 1.00 0.00 C ATOM 495 CD GLU A 414 7.520 3.473 -8.229 1.00 0.00 C ATOM 496 OE1 GLU A 414 6.500 2.790 -8.015 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.525 4.452 -8.997 1.00 0.00 O ATOM 0 H GLU A 414 10.769 4.531 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 414 7.998 5.270 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.492 2.649 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.749 2.768 -5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 414 9.610 3.731 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.064 2.068 -7.778 1.00 0.00 H new ATOM 504 N LYS A 415 7.452 3.894 -3.605 1.00 0.00 N ATOM 505 CA LYS A 415 7.091 3.738 -2.206 1.00 0.00 C ATOM 506 C LYS A 415 6.492 2.351 -2.024 1.00 0.00 C ATOM 507 O LYS A 415 5.841 1.845 -2.938 1.00 0.00 O ATOM 508 CB LYS A 415 6.089 4.824 -1.794 1.00 0.00 C ATOM 509 CG LYS A 415 6.387 5.458 -0.443 1.00 0.00 C ATOM 510 CD LYS A 415 5.991 4.557 0.715 1.00 0.00 C ATOM 511 CE LYS A 415 6.448 5.127 2.051 1.00 0.00 C ATOM 512 NZ LYS A 415 5.842 6.457 2.336 1.00 0.00 N ATOM 0 H LYS A 415 6.879 3.345 -4.245 1.00 0.00 H new ATOM 0 HA LYS A 415 7.972 3.844 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.079 5.603 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.089 4.391 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 415 7.451 5.685 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.854 6.405 -0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 415 4.908 4.430 0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 415 6.427 3.568 0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 415 6.185 4.432 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 415 7.534 5.218 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 6.247 6.842 3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 6.042 7.106 1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 4.813 6.353 2.446 1.00 0.00 H new ATOM 526 N ASN A 416 6.877 1.661 -0.958 1.00 0.00 N ATOM 527 CA ASN A 416 6.488 0.263 -0.800 1.00 0.00 C ATOM 528 C ASN A 416 4.983 0.117 -0.604 1.00 0.00 C ATOM 529 O ASN A 416 4.302 -0.442 -1.451 1.00 0.00 O ATOM 530 CB ASN A 416 7.239 -0.401 0.355 1.00 0.00 C ATOM 531 CG ASN A 416 8.693 -0.687 0.030 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.489 0.227 -0.182 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.051 -1.963 -0.012 1.00 0.00 N ATOM 0 H ASN A 416 7.448 2.037 -0.201 1.00 0.00 H new ATOM 0 HA ASN A 416 6.761 -0.247 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.189 0.244 1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.740 -1.334 0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.016 -2.215 -0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.362 -2.692 0.170 1.00 0.00 H new ATOM 540 N CYS A 417 4.431 0.694 0.442 1.00 0.00 N ATOM 541 CA CYS A 417 2.985 0.663 0.585 1.00 0.00 C ATOM 542 C CYS A 417 2.382 1.821 -0.190 1.00 0.00 C ATOM 543 O CYS A 417 2.787 2.972 -0.019 1.00 0.00 O ATOM 544 CB CYS A 417 2.558 0.709 2.048 1.00 0.00 C ATOM 545 SG CYS A 417 0.802 0.292 2.306 1.00 0.00 S ATOM 0 H CYS A 417 4.938 1.176 1.185 1.00 0.00 H new ATOM 0 HA CYS A 417 2.617 -0.279 0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.176 0.017 2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.748 1.707 2.443 1.00 0.00 H new ATOM 550 N GLN A 418 1.505 1.499 -1.127 1.00 0.00 N ATOM 551 CA GLN A 418 0.945 2.503 -2.014 1.00 0.00 C ATOM 552 C GLN A 418 -0.403 2.063 -2.564 1.00 0.00 C ATOM 553 O GLN A 418 -0.773 0.889 -2.468 1.00 0.00 O ATOM 554 CB GLN A 418 1.922 2.829 -3.153 1.00 0.00 C ATOM 555 CG GLN A 418 2.657 1.620 -3.727 1.00 0.00 C ATOM 556 CD GLN A 418 1.772 0.699 -4.544 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.178 1.114 -5.539 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.686 -0.555 -4.136 1.00 0.00 N ATOM 0 H GLN A 418 1.166 0.551 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 418 0.785 3.411 -1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.372 3.318 -3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.658 3.546 -2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.478 1.969 -4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.099 1.052 -2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.195 -0.857 -3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 418 1.110 -1.221 -4.652 1.00 0.00 H new ATOM 567 N PHE A 419 -1.157 3.035 -3.055 1.00 0.00 N ATOM 568 CA PHE A 419 -2.493 2.808 -3.579 1.00 0.00 C ATOM 569 C PHE A 419 -2.425 1.987 -4.863 1.00 0.00 C ATOM 570 O PHE A 419 -1.906 2.459 -5.877 1.00 0.00 O ATOM 571 CB PHE A 419 -3.148 4.169 -3.850 1.00 0.00 C ATOM 572 CG PHE A 419 -4.584 4.109 -4.264 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.508 3.437 -3.493 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.009 4.738 -5.423 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.836 3.391 -3.870 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.334 4.697 -5.805 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.250 4.017 -5.030 1.00 0.00 C ATOM 0 H PHE A 419 -0.856 4.009 -3.101 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.086 2.251 -2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.070 4.778 -2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.582 4.679 -4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.191 2.942 -2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.294 5.267 -6.035 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.552 2.865 -3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.653 5.196 -6.708 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.287 3.974 -5.329 1.00 0.00 H new ATOM 587 N ASN A 420 -2.960 0.772 -4.828 1.00 0.00 N ATOM 588 CA ASN A 420 -2.964 -0.091 -6.009 1.00 0.00 C ATOM 589 C ASN A 420 -3.962 0.425 -7.042 1.00 0.00 C ATOM 590 O ASN A 420 -3.786 0.216 -8.248 1.00 0.00 O ATOM 591 CB ASN A 420 -3.258 -1.552 -5.638 1.00 0.00 C ATOM 592 CG ASN A 420 -4.529 -1.737 -4.831 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.594 -1.254 -5.200 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.435 -2.482 -3.740 1.00 0.00 N ATOM 0 H ASN A 420 -3.395 0.362 -4.001 1.00 0.00 H new ATOM 0 HA ASN A 420 -1.967 -0.064 -6.449 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.331 -2.141 -6.552 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.417 -1.949 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.265 -2.670 -3.178 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -3.533 -2.868 -3.462 1.00 0.00 H new ATOM 601 N SER A 421 -4.971 1.149 -6.549 1.00 0.00 N ATOM 602 CA SER A 421 -5.977 1.818 -7.376 1.00 0.00 C ATOM 603 C SER A 421 -7.005 0.849 -7.958 1.00 0.00 C ATOM 604 O SER A 421 -8.199 1.145 -7.959 1.00 0.00 O ATOM 605 CB SER A 421 -5.303 2.641 -8.487 1.00 0.00 C ATOM 606 OG SER A 421 -6.253 3.304 -9.303 1.00 0.00 O ATOM 0 H SER A 421 -5.113 1.288 -5.549 1.00 0.00 H new ATOM 0 HA SER A 421 -6.527 2.494 -6.721 1.00 0.00 H new ATOM 0 HB2 SER A 421 -4.633 3.375 -8.039 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.690 1.984 -9.104 1.00 0.00 H new ATOM 0 HG SER A 421 -5.787 3.817 -9.996 1.00 0.00 H new ATOM 612 N THR A 422 -6.552 -0.277 -8.477 1.00 0.00 N ATOM 613 CA THR A 422 -7.452 -1.241 -9.092 1.00 0.00 C ATOM 614 C THR A 422 -7.001 -2.670 -8.802 1.00 0.00 C ATOM 615 O THR A 422 -6.377 -3.322 -9.642 1.00 0.00 O ATOM 616 CB THR A 422 -7.541 -1.027 -10.619 1.00 0.00 C ATOM 617 OG1 THR A 422 -6.245 -0.702 -11.145 1.00 0.00 O ATOM 618 CG2 THR A 422 -8.531 0.077 -10.967 1.00 0.00 C ATOM 0 H THR A 422 -5.569 -0.548 -8.486 1.00 0.00 H new ATOM 0 HA THR A 422 -8.440 -1.085 -8.658 1.00 0.00 H new ATOM 0 HB THR A 422 -7.895 -1.955 -11.069 1.00 0.00 H new ATOM 0 HG1 THR A 422 -6.309 -0.569 -12.114 1.00 0.00 H new ATOM 0 HG21 THR A 422 -8.570 0.203 -12.049 1.00 0.00 H new ATOM 0 HG22 THR A 422 -9.520 -0.192 -10.597 1.00 0.00 H new ATOM 0 HG23 THR A 422 -8.212 1.011 -10.505 1.00 0.00 H new ATOM 626 N LYS A 423 -7.244 -3.119 -7.578 1.00 0.00 N ATOM 627 CA LYS A 423 -6.785 -4.432 -7.144 1.00 0.00 C ATOM 628 C LYS A 423 -7.668 -5.003 -6.033 1.00 0.00 C ATOM 629 O LYS A 423 -7.807 -6.222 -5.918 1.00 0.00 O ATOM 630 CB LYS A 423 -5.332 -4.342 -6.660 1.00 0.00 C ATOM 631 CG LYS A 423 -4.686 -5.683 -6.342 1.00 0.00 C ATOM 632 CD LYS A 423 -4.524 -6.533 -7.588 1.00 0.00 C ATOM 633 CE LYS A 423 -3.812 -7.838 -7.282 1.00 0.00 C ATOM 634 NZ LYS A 423 -3.656 -8.681 -8.495 1.00 0.00 N ATOM 0 H LYS A 423 -7.756 -2.594 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 423 -6.848 -5.106 -7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -4.739 -3.840 -7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.298 -3.717 -5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -3.711 -5.518 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.295 -6.217 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -5.504 -6.744 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -3.961 -5.977 -8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -2.830 -7.625 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -4.372 -8.389 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -3.165 -9.563 -8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -4.594 -8.905 -8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -3.100 -8.166 -9.207 1.00 0.00 H new ATOM 648 N ALA A 424 -8.225 -4.140 -5.187 1.00 0.00 N ATOM 649 CA ALA A 424 -9.024 -4.604 -4.053 1.00 0.00 C ATOM 650 C ALA A 424 -10.287 -5.331 -4.515 1.00 0.00 C ATOM 651 O ALA A 424 -10.462 -6.520 -4.244 1.00 0.00 O ATOM 652 CB ALA A 424 -9.379 -3.443 -3.136 1.00 0.00 C ATOM 0 H ALA A 424 -8.140 -3.126 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.419 -5.317 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -9.973 -3.809 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -8.465 -2.984 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -9.954 -2.702 -3.692 1.00 0.00 H new