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 Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.211 F(o=-1.1!,f=-0.21) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot -46:sc= 0.79 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 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= -2.02! C(o=-2!,f=-4.4!) USER MOD Single : A 408 LYS NZ :NH3+ -108:sc= 0.919 (180deg=-0.998) USER MOD Single : A 411 LYS NZ :NH3+ 164:sc= -0.0449 (180deg=-0.339) USER MOD Single : A 415 LYS NZ :NH3+ -136:sc= -0.688 (180deg=-4.17!) USER MOD Single : A 416 ASN : amide:sc= 0.00453 K(o=0.0045,f=-1.3) USER MOD Single : A 418 GLN :FLIP amide:sc= -0.787 F(o=-6!,f=-0.79) USER MOD Single : A 420 ASN : amide:sc= -3.79! C(o=-3.8!,f=-10!) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 22:sc= 0.708 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -6.577 11.187 -0.839 1.00 0.00 N ATOM 33 CA SER A 384 -5.457 10.636 -1.571 1.00 0.00 C ATOM 34 C SER A 384 -5.073 9.296 -0.954 1.00 0.00 C ATOM 35 O SER A 384 -4.243 9.231 -0.046 1.00 0.00 O ATOM 36 CB SER A 384 -4.266 11.600 -1.554 1.00 0.00 C ATOM 37 OG SER A 384 -3.224 11.151 -2.407 1.00 0.00 O ATOM 0 HA SER A 384 -5.745 10.488 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 384 -4.594 12.591 -1.868 1.00 0.00 H new ATOM 0 HB3 SER A 384 -3.889 11.697 -0.536 1.00 0.00 H new ATOM 0 HG SER A 384 -2.479 11.787 -2.376 1.00 0.00 H new ATOM 43 N PRO A 385 -5.751 8.214 -1.378 1.00 0.00 N ATOM 44 CA PRO A 385 -5.531 6.875 -0.826 1.00 0.00 C ATOM 45 C PRO A 385 -4.086 6.426 -1.000 1.00 0.00 C ATOM 46 O PRO A 385 -3.545 5.701 -0.166 1.00 0.00 O ATOM 47 CB PRO A 385 -6.478 5.983 -1.631 1.00 0.00 C ATOM 48 CG PRO A 385 -7.517 6.908 -2.168 1.00 0.00 C ATOM 49 CD PRO A 385 -6.828 8.225 -2.384 1.00 0.00 C ATOM 0 HA PRO A 385 -5.720 6.837 0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -5.950 5.472 -2.436 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -6.923 5.212 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -7.933 6.528 -3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.346 7.012 -1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.432 8.311 -3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.508 9.064 -2.236 1.00 0.00 H new ATOM 57 N GLU A 386 -3.442 6.936 -2.045 1.00 0.00 N ATOM 58 CA GLU A 386 -2.031 6.676 -2.281 1.00 0.00 C ATOM 59 C GLU A 386 -1.197 7.209 -1.122 1.00 0.00 C ATOM 60 O GLU A 386 -0.446 6.463 -0.499 1.00 0.00 O ATOM 61 CB GLU A 386 -1.589 7.315 -3.604 1.00 0.00 C ATOM 62 CG GLU A 386 -0.080 7.361 -3.801 1.00 0.00 C ATOM 63 CD GLU A 386 0.567 5.992 -3.894 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.157 4.982 -3.865 1.00 0.00 O ATOM 65 OE2 GLU A 386 1.809 5.926 -4.012 1.00 0.00 O ATOM 0 H GLU A 386 -3.881 7.535 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 386 -1.877 5.599 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.035 6.760 -4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.982 8.331 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.142 7.920 -4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 386 0.369 7.909 -2.973 1.00 0.00 H new ATOM 72 N ALA A 387 -1.422 8.474 -0.770 1.00 0.00 N ATOM 73 CA ALA A 387 -0.740 9.090 0.362 1.00 0.00 C ATOM 74 C ALA A 387 -1.049 8.347 1.656 1.00 0.00 C ATOM 75 O ALA A 387 -0.177 8.177 2.512 1.00 0.00 O ATOM 76 CB ALA A 387 -1.132 10.554 0.487 1.00 0.00 C ATOM 0 H ALA A 387 -2.073 9.092 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 387 0.333 9.029 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.614 10.998 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -0.855 11.084 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.209 10.631 0.638 1.00 0.00 H new ATOM 82 N GLU A 388 -2.287 7.879 1.775 1.00 0.00 N ATOM 83 CA GLU A 388 -2.709 7.115 2.940 1.00 0.00 C ATOM 84 C GLU A 388 -1.919 5.813 3.051 1.00 0.00 C ATOM 85 O GLU A 388 -1.281 5.565 4.065 1.00 0.00 O ATOM 86 CB GLU A 388 -4.208 6.828 2.880 1.00 0.00 C ATOM 87 CG GLU A 388 -5.065 8.075 3.021 1.00 0.00 C ATOM 88 CD GLU A 388 -6.546 7.769 3.080 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.103 7.299 2.071 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.160 7.987 4.147 1.00 0.00 O ATOM 0 H GLU A 388 -3.017 8.017 1.076 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.507 7.713 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.440 6.341 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.468 6.125 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.773 8.610 3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.870 8.741 2.180 1.00 0.00 H new ATOM 97 N CYS A 389 -1.901 5.025 1.980 1.00 0.00 N ATOM 98 CA CYS A 389 -1.135 3.781 1.952 1.00 0.00 C ATOM 99 C CYS A 389 0.363 4.034 2.127 1.00 0.00 C ATOM 100 O CYS A 389 1.076 3.204 2.684 1.00 0.00 O ATOM 101 CB CYS A 389 -1.386 3.053 0.635 1.00 0.00 C ATOM 102 SG CYS A 389 -3.110 2.516 0.401 1.00 0.00 S ATOM 0 H CYS A 389 -2.409 5.225 1.118 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.468 3.164 2.787 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.106 3.708 -0.190 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.735 2.180 0.584 1.00 0.00 H new ATOM 107 N ASN A 390 0.843 5.160 1.607 1.00 0.00 N ATOM 108 CA ASN A 390 2.270 5.486 1.654 1.00 0.00 C ATOM 109 C ASN A 390 2.813 5.542 3.085 1.00 0.00 C ATOM 110 O ASN A 390 4.009 5.347 3.299 1.00 0.00 O ATOM 111 CB ASN A 390 2.554 6.815 0.944 1.00 0.00 C ATOM 112 CG ASN A 390 2.544 6.707 -0.575 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.407 5.496 -1.105 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.681 7.712 -1.274 1.00 0.00 N flip ATOM 0 H ASN A 390 0.266 5.864 1.147 1.00 0.00 H new ATOM 0 HA ASN A 390 2.785 4.679 1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.810 7.549 1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.525 7.190 1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.784 8.628 -0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.692 7.629 -2.291 1.00 0.00 H new ATOM 121 N LYS A 391 1.962 5.872 4.057 1.00 0.00 N ATOM 122 CA LYS A 391 2.415 5.987 5.445 1.00 0.00 C ATOM 123 C LYS A 391 2.726 4.609 6.027 1.00 0.00 C ATOM 124 O LYS A 391 3.591 4.471 6.896 1.00 0.00 O ATOM 125 CB LYS A 391 1.387 6.728 6.315 1.00 0.00 C ATOM 126 CG LYS A 391 0.132 5.931 6.631 1.00 0.00 C ATOM 127 CD LYS A 391 -0.906 6.788 7.339 1.00 0.00 C ATOM 128 CE LYS A 391 -2.202 6.025 7.575 1.00 0.00 C ATOM 129 NZ LYS A 391 -3.280 6.914 8.090 1.00 0.00 N ATOM 0 H LYS A 391 0.970 6.062 3.914 1.00 0.00 H new ATOM 0 HA LYS A 391 3.332 6.577 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 391 1.864 7.016 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.098 7.649 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.290 5.533 5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.390 5.077 7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -0.506 7.129 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -1.111 7.677 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -2.526 5.562 6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -2.025 5.218 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -4.147 6.359 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.981 7.336 8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -3.467 7.669 7.400 1.00 0.00 H new ATOM 143 N ILE A 392 2.047 3.590 5.517 1.00 0.00 N ATOM 144 CA ILE A 392 2.289 2.216 5.925 1.00 0.00 C ATOM 145 C ILE A 392 3.687 1.786 5.476 1.00 0.00 C ATOM 146 O ILE A 392 4.110 2.091 4.360 1.00 0.00 O ATOM 147 CB ILE A 392 1.236 1.239 5.330 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.180 1.530 5.852 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.609 -0.201 5.648 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.810 2.799 5.331 1.00 0.00 C ATOM 0 H ILE A 392 1.317 3.693 4.812 1.00 0.00 H new ATOM 0 HA ILE A 392 2.210 2.175 7.011 1.00 0.00 H new ATOM 0 HB ILE A 392 1.235 1.388 4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.825 0.690 5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.145 1.581 6.940 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.862 -0.872 5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.585 -0.427 5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.648 -0.337 6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.806 2.913 5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.194 3.653 5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.885 2.749 4.245 1.00 0.00 H new ATOM 162 N THR A 393 4.416 1.110 6.353 1.00 0.00 N ATOM 163 CA THR A 393 5.767 0.687 6.039 1.00 0.00 C ATOM 164 C THR A 393 6.010 -0.744 6.511 1.00 0.00 C ATOM 165 O THR A 393 7.150 -1.197 6.596 1.00 0.00 O ATOM 166 CB THR A 393 6.808 1.640 6.671 1.00 0.00 C ATOM 167 OG1 THR A 393 8.130 1.298 6.232 1.00 0.00 O ATOM 168 CG2 THR A 393 6.747 1.594 8.194 1.00 0.00 C ATOM 0 H THR A 393 4.093 0.845 7.284 1.00 0.00 H new ATOM 0 HA THR A 393 5.882 0.721 4.956 1.00 0.00 H new ATOM 0 HB THR A 393 6.569 2.653 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.253 0.328 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.491 2.275 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.754 1.895 8.528 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.953 0.580 8.536 1.00 0.00 H new ATOM 176 N GLU A 394 4.930 -1.489 6.705 1.00 0.00 N ATOM 177 CA GLU A 394 5.033 -2.898 7.055 1.00 0.00 C ATOM 178 C GLU A 394 4.115 -3.729 6.172 1.00 0.00 C ATOM 179 O GLU A 394 2.957 -3.367 5.954 1.00 0.00 O ATOM 180 CB GLU A 394 4.694 -3.126 8.531 1.00 0.00 C ATOM 181 CG GLU A 394 5.653 -2.444 9.493 1.00 0.00 C ATOM 182 CD GLU A 394 7.083 -2.938 9.363 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.323 -3.924 8.632 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.976 -2.350 10.011 1.00 0.00 O ATOM 0 H GLU A 394 3.974 -1.141 6.626 1.00 0.00 H new ATOM 0 HA GLU A 394 6.064 -3.212 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.684 -2.764 8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.692 -4.197 8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.630 -1.368 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.310 -2.608 10.515 1.00 0.00 H new ATOM 191 N GLU A 395 4.659 -4.808 5.622 1.00 0.00 N ATOM 192 CA GLU A 395 3.929 -5.674 4.708 1.00 0.00 C ATOM 193 C GLU A 395 2.630 -6.210 5.322 1.00 0.00 C ATOM 194 O GLU A 395 1.573 -6.052 4.723 1.00 0.00 O ATOM 195 CB GLU A 395 4.823 -6.827 4.248 1.00 0.00 C ATOM 196 CG GLU A 395 4.110 -7.834 3.369 1.00 0.00 C ATOM 197 CD GLU A 395 5.049 -8.872 2.802 1.00 0.00 C ATOM 198 OE1 GLU A 395 5.756 -9.534 3.594 1.00 0.00 O ATOM 199 OE2 GLU A 395 5.074 -9.041 1.568 1.00 0.00 O ATOM 0 H GLU A 395 5.618 -5.106 5.798 1.00 0.00 H new ATOM 0 HA GLU A 395 3.646 -5.071 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.675 -6.420 3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.221 -7.339 5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.331 -8.330 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.614 -7.311 2.551 1.00 0.00 H new ATOM 206 N PRO A 396 2.664 -6.832 6.524 1.00 0.00 N ATOM 207 CA PRO A 396 1.451 -7.370 7.157 1.00 0.00 C ATOM 208 C PRO A 396 0.347 -6.322 7.283 1.00 0.00 C ATOM 209 O PRO A 396 -0.826 -6.614 7.066 1.00 0.00 O ATOM 210 CB PRO A 396 1.929 -7.807 8.541 1.00 0.00 C ATOM 211 CG PRO A 396 3.383 -8.068 8.374 1.00 0.00 C ATOM 212 CD PRO A 396 3.861 -7.076 7.354 1.00 0.00 C ATOM 0 HA PRO A 396 1.014 -8.177 6.569 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.749 -7.031 9.285 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.403 -8.700 8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.914 -7.945 9.318 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.561 -9.090 8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.218 -6.159 7.823 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.685 -7.474 6.762 1.00 0.00 H new ATOM 220 N LYS A 397 0.742 -5.097 7.610 1.00 0.00 N ATOM 221 CA LYS A 397 -0.201 -3.994 7.754 1.00 0.00 C ATOM 222 C LYS A 397 -0.729 -3.541 6.394 1.00 0.00 C ATOM 223 O LYS A 397 -1.927 -3.328 6.226 1.00 0.00 O ATOM 224 CB LYS A 397 0.469 -2.826 8.484 1.00 0.00 C ATOM 225 CG LYS A 397 0.973 -3.195 9.871 1.00 0.00 C ATOM 226 CD LYS A 397 1.741 -2.054 10.514 1.00 0.00 C ATOM 227 CE LYS A 397 2.293 -2.456 11.872 1.00 0.00 C ATOM 228 NZ LYS A 397 3.132 -1.387 12.473 1.00 0.00 N ATOM 0 H LYS A 397 1.715 -4.842 7.781 1.00 0.00 H new ATOM 0 HA LYS A 397 -1.050 -4.342 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.305 -2.464 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.242 -2.004 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.128 -3.467 10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.616 -4.073 9.803 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.560 -1.751 9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 397 1.086 -1.190 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 397 1.467 -2.689 12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.885 -3.365 11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 3.488 -1.703 13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 3.935 -1.182 11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 2.561 -0.527 12.598 1.00 0.00 H new ATOM 242 N CYS A 398 0.170 -3.414 5.424 1.00 0.00 N ATOM 243 CA CYS A 398 -0.204 -2.982 4.080 1.00 0.00 C ATOM 244 C CYS A 398 -1.086 -4.026 3.411 1.00 0.00 C ATOM 245 O CYS A 398 -2.122 -3.699 2.832 1.00 0.00 O ATOM 246 CB CYS A 398 1.045 -2.734 3.234 1.00 0.00 C ATOM 247 SG CYS A 398 0.719 -1.866 1.668 1.00 0.00 S ATOM 0 H CYS A 398 1.165 -3.604 5.543 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.765 -2.051 4.163 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.757 -2.152 3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.519 -3.691 3.015 1.00 0.00 H new ATOM 252 N SER A 399 -0.690 -5.284 3.548 1.00 0.00 N ATOM 253 CA SER A 399 -1.452 -6.402 3.022 1.00 0.00 C ATOM 254 C SER A 399 -2.807 -6.514 3.722 1.00 0.00 C ATOM 255 O SER A 399 -3.802 -6.906 3.109 1.00 0.00 O ATOM 256 CB SER A 399 -0.643 -7.695 3.174 1.00 0.00 C ATOM 257 OG SER A 399 0.312 -7.825 2.130 1.00 0.00 O ATOM 0 H SER A 399 0.169 -5.555 4.027 1.00 0.00 H new ATOM 0 HA SER A 399 -1.644 -6.233 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 399 -0.135 -7.699 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 399 -1.316 -8.552 3.165 1.00 0.00 H new ATOM 0 HG SER A 399 0.817 -8.657 2.250 1.00 0.00 H new ATOM 263 N GLU A 400 -2.849 -6.105 4.986 1.00 0.00 N ATOM 264 CA GLU A 400 -4.090 -6.085 5.749 1.00 0.00 C ATOM 265 C GLU A 400 -5.062 -5.075 5.150 1.00 0.00 C ATOM 266 O GLU A 400 -6.254 -5.348 5.012 1.00 0.00 O ATOM 267 CB GLU A 400 -3.805 -5.736 7.209 1.00 0.00 C ATOM 268 CG GLU A 400 -5.033 -5.766 8.099 1.00 0.00 C ATOM 269 CD GLU A 400 -4.717 -5.403 9.533 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.281 -4.257 9.783 1.00 0.00 O ATOM 271 OE2 GLU A 400 -4.902 -6.262 10.418 1.00 0.00 O ATOM 0 H GLU A 400 -2.033 -5.781 5.505 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.542 -7.076 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.066 -6.435 7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.359 -4.742 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.778 -5.073 7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.476 -6.762 8.069 1.00 0.00 H new ATOM 278 N GLU A 401 -4.539 -3.914 4.773 1.00 0.00 N ATOM 279 CA GLU A 401 -5.353 -2.872 4.167 1.00 0.00 C ATOM 280 C GLU A 401 -5.943 -3.347 2.845 1.00 0.00 C ATOM 281 O GLU A 401 -5.218 -3.619 1.888 1.00 0.00 O ATOM 282 CB GLU A 401 -4.520 -1.608 3.941 1.00 0.00 C ATOM 283 CG GLU A 401 -3.953 -1.015 5.224 1.00 0.00 C ATOM 284 CD GLU A 401 -5.029 -0.532 6.175 1.00 0.00 C ATOM 285 OE1 GLU A 401 -6.216 -0.528 5.788 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.696 -0.144 7.313 1.00 0.00 O ATOM 0 H GLU A 401 -3.554 -3.672 4.877 1.00 0.00 H new ATOM 0 HA GLU A 401 -6.171 -2.641 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.698 -1.841 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -5.138 -0.859 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.341 -1.765 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.295 -0.182 4.974 1.00 0.00 H new ATOM 293 N LYS A 402 -7.263 -3.427 2.793 1.00 0.00 N ATOM 294 CA LYS A 402 -7.964 -3.870 1.593 1.00 0.00 C ATOM 295 C LYS A 402 -8.071 -2.743 0.566 1.00 0.00 C ATOM 296 O LYS A 402 -9.164 -2.381 0.123 1.00 0.00 O ATOM 297 CB LYS A 402 -9.349 -4.419 1.953 1.00 0.00 C ATOM 298 CG LYS A 402 -10.212 -3.459 2.759 1.00 0.00 C ATOM 299 CD LYS A 402 -11.502 -4.115 3.227 1.00 0.00 C ATOM 300 CE LYS A 402 -12.354 -4.594 2.062 1.00 0.00 C ATOM 301 NZ LYS A 402 -13.645 -5.173 2.522 1.00 0.00 N ATOM 0 H LYS A 402 -7.876 -3.190 3.573 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.384 -4.673 1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.875 -4.678 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.225 -5.342 2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -9.651 -3.104 3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.448 -2.585 2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.265 -4.960 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -12.073 -3.405 3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -12.550 -3.760 1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -11.803 -5.342 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -14.197 -5.488 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -13.459 -5.985 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -14.183 -4.452 3.044 1.00 0.00 H new ATOM 315 N ILE A 403 -6.921 -2.176 0.223 1.00 0.00 N ATOM 316 CA ILE A 403 -6.832 -1.082 -0.730 1.00 0.00 C ATOM 317 C ILE A 403 -5.366 -0.742 -1.008 1.00 0.00 C ATOM 318 O ILE A 403 -5.016 -0.222 -2.071 1.00 0.00 O ATOM 319 CB ILE A 403 -7.610 0.154 -0.222 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.717 0.509 -1.220 1.00 0.00 C ATOM 321 CG2 ILE A 403 -6.699 1.352 0.026 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.624 1.635 -0.763 1.00 0.00 C ATOM 0 H ILE A 403 -6.019 -2.466 0.602 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.292 -1.396 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.055 -0.102 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -8.260 0.788 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -9.322 -0.378 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -7.293 2.194 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -5.953 1.092 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.199 1.627 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -10.380 1.825 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.112 1.353 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.033 2.537 -0.605 1.00 0.00 H new ATOM 334 N CYS A 404 -4.511 -1.072 -0.057 1.00 0.00 N ATOM 335 CA CYS A 404 -3.082 -0.856 -0.205 1.00 0.00 C ATOM 336 C CYS A 404 -2.398 -2.147 -0.639 1.00 0.00 C ATOM 337 O CYS A 404 -2.864 -3.238 -0.308 1.00 0.00 O ATOM 338 CB CYS A 404 -2.491 -0.361 1.114 1.00 0.00 C ATOM 339 SG CYS A 404 -3.350 1.085 1.816 1.00 0.00 S ATOM 0 H CYS A 404 -4.783 -1.493 0.831 1.00 0.00 H new ATOM 0 HA CYS A 404 -2.915 -0.099 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -2.517 -1.174 1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.443 -0.107 0.958 1.00 0.00 H new ATOM 344 N SER A 405 -1.337 -2.026 -1.421 1.00 0.00 N ATOM 345 CA SER A 405 -0.616 -3.192 -1.916 1.00 0.00 C ATOM 346 C SER A 405 0.875 -3.045 -1.630 1.00 0.00 C ATOM 347 O SER A 405 1.437 -1.961 -1.800 1.00 0.00 O ATOM 348 CB SER A 405 -0.858 -3.351 -3.421 1.00 0.00 C ATOM 349 OG SER A 405 -0.266 -4.538 -3.924 1.00 0.00 O ATOM 0 H SER A 405 -0.954 -1.132 -1.728 1.00 0.00 H new ATOM 0 HA SER A 405 -0.981 -4.083 -1.405 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.930 -3.367 -3.618 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.450 -2.489 -3.949 1.00 0.00 H new ATOM 0 HG SER A 405 -0.441 -4.609 -4.886 1.00 0.00 H new ATOM 355 N TRP A 406 1.497 -4.112 -1.132 1.00 0.00 N ATOM 356 CA TRP A 406 2.912 -4.072 -0.806 1.00 0.00 C ATOM 357 C TRP A 406 3.750 -4.149 -2.076 1.00 0.00 C ATOM 358 O TRP A 406 3.271 -4.564 -3.133 1.00 0.00 O ATOM 359 CB TRP A 406 3.305 -5.197 0.156 1.00 0.00 C ATOM 360 CG TRP A 406 4.650 -4.978 0.787 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.772 -5.734 0.616 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.013 -3.930 1.695 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.807 -5.216 1.348 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.369 -4.112 2.022 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.326 -2.853 2.256 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.046 -3.262 2.891 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.999 -2.010 3.119 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.347 -2.216 3.425 1.00 0.00 C ATOM 0 H TRP A 406 1.043 -5.007 -0.948 1.00 0.00 H new ATOM 0 HA TRP A 406 3.107 -3.124 -0.305 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.551 -5.280 0.938 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.311 -6.144 -0.383 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.835 -6.614 -0.007 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.754 -5.594 1.384 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.286 -2.681 2.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.086 -3.423 3.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.475 -1.178 3.565 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.847 -1.534 4.097 1.00 0.00 H new ATOM 379 N HIS A 407 4.944 -3.600 -1.995 1.00 0.00 N ATOM 380 CA HIS A 407 5.808 -3.427 -3.147 1.00 0.00 C ATOM 381 C HIS A 407 7.258 -3.623 -2.718 1.00 0.00 C ATOM 382 O HIS A 407 7.946 -2.658 -2.393 1.00 0.00 O ATOM 383 CB HIS A 407 5.604 -2.012 -3.695 1.00 0.00 C ATOM 384 CG HIS A 407 6.162 -1.748 -5.056 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.417 -2.140 -5.453 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.651 -1.035 -6.084 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.655 -1.675 -6.660 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.600 -1.000 -7.071 1.00 0.00 N ATOM 0 H HIS A 407 5.346 -3.258 -1.122 1.00 0.00 H new ATOM 0 HA HIS A 407 5.569 -4.156 -3.921 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.534 -1.803 -3.716 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.053 -1.306 -2.997 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.674 -0.577 -6.121 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.565 -1.822 -7.222 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.506 -0.531 -7.972 1.00 0.00 H new ATOM 397 N LYS A 408 7.665 -4.878 -2.572 1.00 0.00 N ATOM 398 CA LYS A 408 8.988 -5.209 -2.041 1.00 0.00 C ATOM 399 C LYS A 408 10.116 -4.514 -2.806 1.00 0.00 C ATOM 400 O LYS A 408 11.000 -3.911 -2.202 1.00 0.00 O ATOM 401 CB LYS A 408 9.217 -6.720 -2.087 1.00 0.00 C ATOM 402 CG LYS A 408 8.300 -7.511 -1.176 1.00 0.00 C ATOM 403 CD LYS A 408 8.487 -9.007 -1.367 1.00 0.00 C ATOM 404 CE LYS A 408 7.519 -9.800 -0.509 1.00 0.00 C ATOM 405 NZ LYS A 408 6.105 -9.446 -0.799 1.00 0.00 N ATOM 0 H LYS A 408 7.097 -5.690 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 408 9.008 -4.854 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 408 9.081 -7.067 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 408 10.251 -6.929 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 408 8.500 -7.247 -0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 408 7.263 -7.243 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 408 8.339 -9.263 -2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 408 9.511 -9.283 -1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 408 7.669 -10.866 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 408 7.731 -9.615 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 5.715 -8.897 -0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 6.061 -8.877 -1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 5.548 -10.315 -0.925 1.00 0.00 H new ATOM 419 N GLU A 409 10.132 -4.669 -4.125 1.00 0.00 N ATOM 420 CA GLU A 409 11.224 -4.146 -4.939 1.00 0.00 C ATOM 421 C GLU A 409 10.875 -2.777 -5.524 1.00 0.00 C ATOM 422 O GLU A 409 10.601 -2.649 -6.718 1.00 0.00 O ATOM 423 CB GLU A 409 11.570 -5.135 -6.055 1.00 0.00 C ATOM 424 CG GLU A 409 12.933 -4.887 -6.674 1.00 0.00 C ATOM 425 CD GLU A 409 14.058 -5.055 -5.671 1.00 0.00 C ATOM 426 OE1 GLU A 409 14.316 -6.200 -5.244 1.00 0.00 O ATOM 427 OE2 GLU A 409 14.684 -4.042 -5.293 1.00 0.00 O ATOM 0 H GLU A 409 9.404 -5.151 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 409 12.095 -4.019 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.539 -6.149 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.809 -5.075 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 409 13.084 -5.576 -7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.964 -3.879 -7.087 1.00 0.00 H new ATOM 434 N VAL A 410 10.825 -1.766 -4.668 1.00 0.00 N ATOM 435 CA VAL A 410 10.476 -0.415 -5.096 1.00 0.00 C ATOM 436 C VAL A 410 11.594 0.247 -5.896 1.00 0.00 C ATOM 437 O VAL A 410 12.728 0.354 -5.427 1.00 0.00 O ATOM 438 CB VAL A 410 10.121 0.494 -3.903 1.00 0.00 C ATOM 439 CG1 VAL A 410 8.748 0.155 -3.371 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.161 0.381 -2.796 1.00 0.00 C ATOM 0 H VAL A 410 11.022 -1.854 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 410 9.602 -0.531 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 410 10.116 1.525 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.513 0.806 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.007 0.298 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 410 8.732 -0.884 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.884 1.034 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.209 -0.650 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.136 0.678 -3.181 1.00 0.00 H new ATOM 450 N LYS A 411 11.219 0.842 -7.018 1.00 0.00 N ATOM 451 CA LYS A 411 12.130 1.682 -7.767 1.00 0.00 C ATOM 452 C LYS A 411 12.187 3.045 -7.083 1.00 0.00 C ATOM 453 O LYS A 411 11.206 3.461 -6.461 1.00 0.00 O ATOM 454 CB LYS A 411 11.657 1.824 -9.217 1.00 0.00 C ATOM 455 CG LYS A 411 12.693 2.438 -10.140 1.00 0.00 C ATOM 456 CD LYS A 411 12.157 2.627 -11.551 1.00 0.00 C ATOM 457 CE LYS A 411 11.038 3.656 -11.593 1.00 0.00 C ATOM 458 NZ LYS A 411 11.490 4.993 -11.123 1.00 0.00 N ATOM 0 H LYS A 411 10.289 0.756 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 411 13.124 1.234 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 411 11.382 0.841 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.756 2.437 -9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 411 13.010 3.401 -9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 411 13.576 1.800 -10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 411 12.967 2.943 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 411 11.790 1.674 -11.932 1.00 0.00 H new ATOM 0 HE2 LYS A 411 10.660 3.739 -12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.209 3.315 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 10.801 5.715 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 11.568 4.988 -10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 12.418 5.212 -11.539 1.00 0.00 H new ATOM 472 N ALA A 412 13.349 3.690 -7.100 1.00 0.00 N ATOM 473 CA ALA A 412 13.520 4.961 -6.402 1.00 0.00 C ATOM 474 C ALA A 412 12.494 5.984 -6.872 1.00 0.00 C ATOM 475 O ALA A 412 12.480 6.376 -8.042 1.00 0.00 O ATOM 476 CB ALA A 412 14.927 5.488 -6.603 1.00 0.00 C ATOM 0 H ALA A 412 14.182 3.357 -7.586 1.00 0.00 H new ATOM 0 HA ALA A 412 13.361 4.789 -5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.039 6.436 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 412 15.645 4.768 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.110 5.640 -7.667 1.00 0.00 H new ATOM 482 N GLY A 413 11.588 6.348 -5.979 1.00 0.00 N ATOM 483 CA GLY A 413 10.521 7.253 -6.335 1.00 0.00 C ATOM 484 C GLY A 413 9.173 6.735 -5.887 1.00 0.00 C ATOM 485 O GLY A 413 8.250 7.513 -5.640 1.00 0.00 O ATOM 0 H GLY A 413 11.574 6.030 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 413 10.705 8.227 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 413 10.514 7.399 -7.415 1.00 0.00 H new ATOM 489 N GLU A 414 9.038 5.414 -5.838 1.00 0.00 N ATOM 490 CA GLU A 414 7.779 4.784 -5.467 1.00 0.00 C ATOM 491 C GLU A 414 7.602 4.751 -3.949 1.00 0.00 C ATOM 492 O GLU A 414 8.069 5.638 -3.228 1.00 0.00 O ATOM 493 CB GLU A 414 7.725 3.355 -6.009 1.00 0.00 C ATOM 494 CG GLU A 414 8.002 3.236 -7.495 1.00 0.00 C ATOM 495 CD GLU A 414 7.748 1.837 -8.009 1.00 0.00 C ATOM 496 OE1 GLU A 414 6.568 1.465 -8.178 1.00 0.00 O ATOM 497 OE2 GLU A 414 8.718 1.085 -8.209 1.00 0.00 O ATOM 0 H GLU A 414 9.789 4.758 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 414 6.973 5.375 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 414 8.449 2.747 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 414 6.740 2.938 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 414 7.373 3.941 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.037 3.513 -7.694 1.00 0.00 H new ATOM 504 N LYS A 415 6.969 3.690 -3.472 1.00 0.00 N ATOM 505 CA LYS A 415 6.747 3.482 -2.057 1.00 0.00 C ATOM 506 C LYS A 415 6.339 2.033 -1.836 1.00 0.00 C ATOM 507 O LYS A 415 5.654 1.457 -2.685 1.00 0.00 O ATOM 508 CB LYS A 415 5.656 4.424 -1.552 1.00 0.00 C ATOM 509 CG LYS A 415 5.541 4.469 -0.038 1.00 0.00 C ATOM 510 CD LYS A 415 6.774 5.085 0.616 1.00 0.00 C ATOM 511 CE LYS A 415 6.832 6.597 0.424 1.00 0.00 C ATOM 512 NZ LYS A 415 7.285 6.988 -0.938 1.00 0.00 N ATOM 0 H LYS A 415 6.594 2.947 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 415 7.662 3.694 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.856 5.429 -1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.699 4.115 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.658 5.045 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.396 3.458 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.771 4.855 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.671 4.632 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 415 5.845 7.020 0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 415 7.507 7.027 1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.976 7.762 -0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 7.729 6.171 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.468 7.305 -1.498 1.00 0.00 H new ATOM 526 N ASN A 416 6.883 1.407 -0.798 1.00 0.00 N ATOM 527 CA ASN A 416 6.660 -0.020 -0.567 1.00 0.00 C ATOM 528 C ASN A 416 5.181 -0.305 -0.357 1.00 0.00 C ATOM 529 O ASN A 416 4.620 -1.175 -1.004 1.00 0.00 O ATOM 530 CB ASN A 416 7.477 -0.537 0.621 1.00 0.00 C ATOM 531 CG ASN A 416 8.972 -0.385 0.414 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.496 0.729 0.373 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.670 -1.501 0.261 1.00 0.00 N ATOM 0 H ASN A 416 7.479 1.860 -0.105 1.00 0.00 H new ATOM 0 HA ASN A 416 6.998 -0.551 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.182 0.002 1.521 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.243 -1.588 0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.677 -1.455 0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 416 9.201 -2.406 0.301 1.00 0.00 H new ATOM 540 N CYS A 417 4.517 0.520 0.423 1.00 0.00 N ATOM 541 CA CYS A 417 3.076 0.429 0.519 1.00 0.00 C ATOM 542 C CYS A 417 2.454 1.557 -0.281 1.00 0.00 C ATOM 543 O CYS A 417 2.841 2.718 -0.135 1.00 0.00 O ATOM 544 CB CYS A 417 2.607 0.488 1.969 1.00 0.00 C ATOM 545 SG CYS A 417 0.839 0.094 2.181 1.00 0.00 S ATOM 0 H CYS A 417 4.943 1.251 0.992 1.00 0.00 H new ATOM 0 HA CYS A 417 2.760 -0.532 0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.200 -0.208 2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.798 1.486 2.364 1.00 0.00 H new ATOM 550 N GLN A 418 1.571 1.209 -1.201 1.00 0.00 N ATOM 551 CA GLN A 418 0.985 2.199 -2.082 1.00 0.00 C ATOM 552 C GLN A 418 -0.411 1.772 -2.499 1.00 0.00 C ATOM 553 O GLN A 418 -0.789 0.607 -2.353 1.00 0.00 O ATOM 554 CB GLN A 418 1.869 2.437 -3.319 1.00 0.00 C ATOM 555 CG GLN A 418 1.689 1.425 -4.446 1.00 0.00 C ATOM 556 CD GLN A 418 2.261 0.053 -4.140 1.00 0.00 C ATOM 557 OE1 GLN A 418 3.168 -0.014 -3.183 1.00 0.00 O flip ATOM 558 NE2 GLN A 418 1.924 -0.932 -4.796 1.00 0.00 N flip ATOM 0 H GLN A 418 1.247 0.254 -1.355 1.00 0.00 H new ATOM 0 HA GLN A 418 0.916 3.140 -1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.661 3.433 -3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.913 2.429 -3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 418 0.626 1.324 -4.663 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.163 1.812 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.219 -0.841 -5.528 1.00 0.00 H new ATOM 0 HE22 GLN A 418 2.349 -1.840 -4.608 1.00 0.00 H new ATOM 567 N PHE A 419 -1.179 2.730 -2.976 1.00 0.00 N ATOM 568 CA PHE A 419 -2.539 2.488 -3.409 1.00 0.00 C ATOM 569 C PHE A 419 -2.540 1.634 -4.674 1.00 0.00 C ATOM 570 O PHE A 419 -1.838 1.943 -5.639 1.00 0.00 O ATOM 571 CB PHE A 419 -3.230 3.828 -3.665 1.00 0.00 C ATOM 572 CG PHE A 419 -4.696 3.718 -3.934 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.525 3.068 -3.041 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.240 4.265 -5.081 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.880 2.961 -3.288 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.594 4.162 -5.337 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.414 3.507 -4.441 1.00 0.00 C ATOM 0 H PHE A 419 -0.877 3.699 -3.074 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.082 1.949 -2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.078 4.474 -2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.751 4.315 -4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.110 2.639 -2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.600 4.778 -5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.521 2.452 -2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.009 4.593 -6.236 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.472 3.421 -4.640 1.00 0.00 H new ATOM 587 N ASN A 420 -3.292 0.538 -4.651 1.00 0.00 N ATOM 588 CA ASN A 420 -3.331 -0.380 -5.788 1.00 0.00 C ATOM 589 C ASN A 420 -4.123 0.205 -6.957 1.00 0.00 C ATOM 590 O ASN A 420 -4.034 -0.293 -8.078 1.00 0.00 O ATOM 591 CB ASN A 420 -3.900 -1.748 -5.387 1.00 0.00 C ATOM 592 CG ASN A 420 -5.305 -1.692 -4.813 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.189 -1.008 -5.329 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.534 -2.464 -3.766 1.00 0.00 N ATOM 0 H ASN A 420 -3.880 0.264 -3.864 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.301 -0.523 -6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.902 -2.399 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.237 -2.204 -4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -6.468 -2.507 -3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.777 -3.017 -3.365 1.00 0.00 H new ATOM 601 N SER A 421 -4.888 1.260 -6.674 1.00 0.00 N ATOM 602 CA SER A 421 -5.686 1.961 -7.681 1.00 0.00 C ATOM 603 C SER A 421 -6.881 1.115 -8.135 1.00 0.00 C ATOM 604 O SER A 421 -6.892 0.565 -9.237 1.00 0.00 O ATOM 605 CB SER A 421 -4.818 2.378 -8.875 1.00 0.00 C ATOM 606 OG SER A 421 -5.500 3.290 -9.722 1.00 0.00 O ATOM 0 H SER A 421 -4.972 1.654 -5.737 1.00 0.00 H new ATOM 0 HA SER A 421 -6.081 2.866 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 421 -3.897 2.835 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.533 1.494 -9.445 1.00 0.00 H new ATOM 0 HG SER A 421 -4.919 3.537 -10.472 1.00 0.00 H new ATOM 612 N THR A 422 -7.887 1.042 -7.260 1.00 0.00 N ATOM 613 CA THR A 422 -9.148 0.323 -7.506 1.00 0.00 C ATOM 614 C THR A 422 -8.949 -1.145 -7.889 1.00 0.00 C ATOM 615 O THR A 422 -9.864 -1.786 -8.408 1.00 0.00 O ATOM 616 CB THR A 422 -10.045 1.028 -8.561 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.310 1.340 -9.752 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.650 2.302 -7.991 1.00 0.00 C ATOM 0 H THR A 422 -7.851 1.488 -6.343 1.00 0.00 H new ATOM 0 HA THR A 422 -9.664 0.345 -6.546 1.00 0.00 H new ATOM 0 HB THR A 422 -10.844 0.333 -8.819 1.00 0.00 H new ATOM 0 HG1 THR A 422 -8.519 0.764 -9.808 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.274 2.778 -8.747 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.258 2.058 -7.120 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.852 2.984 -7.697 1.00 0.00 H new ATOM 626 N LYS A 423 -7.842 -1.728 -7.448 1.00 0.00 N ATOM 627 CA LYS A 423 -7.644 -3.165 -7.584 1.00 0.00 C ATOM 628 C LYS A 423 -8.372 -3.877 -6.460 1.00 0.00 C ATOM 629 O LYS A 423 -9.039 -4.887 -6.679 1.00 0.00 O ATOM 630 CB LYS A 423 -6.158 -3.527 -7.580 1.00 0.00 C ATOM 631 CG LYS A 423 -5.530 -3.565 -8.966 1.00 0.00 C ATOM 632 CD LYS A 423 -5.847 -2.310 -9.761 1.00 0.00 C ATOM 633 CE LYS A 423 -5.214 -2.343 -11.139 1.00 0.00 C ATOM 634 NZ LYS A 423 -5.646 -1.191 -11.975 1.00 0.00 N ATOM 0 H LYS A 423 -7.073 -1.233 -6.997 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.051 -3.486 -8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.619 -2.804 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.032 -4.501 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -4.449 -3.674 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.893 -4.439 -9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -6.927 -2.205 -9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -5.490 -1.435 -9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -4.129 -2.333 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -5.480 -3.274 -11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -5.192 -1.250 -12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -6.679 -1.214 -12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -5.369 -0.302 -11.511 1.00 0.00 H new ATOM 648 N ALA A 424 -8.391 -3.234 -5.301 1.00 0.00 N ATOM 649 CA ALA A 424 -9.184 -3.703 -4.174 1.00 0.00 C ATOM 650 C ALA A 424 -10.636 -3.264 -4.330 1.00 0.00 C ATOM 651 O ALA A 424 -11.271 -2.806 -3.379 1.00 0.00 O ATOM 652 CB ALA A 424 -8.608 -3.182 -2.873 1.00 0.00 C ATOM 0 H ALA A 424 -7.863 -2.381 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 424 -9.153 -4.792 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -9.211 -3.541 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -7.584 -3.538 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -8.614 -2.092 -2.883 1.00 0.00 H new