USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 481 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 388 LYS NZ :NH3+ 170:sc= -0.018 (180deg=-0.179) USER MOD Single : A 390 TYR OH : rot 180:sc=-0.00692 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.806 K(o=-0.81,f=-0.22) USER MOD Single : A 400 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 401 ASN : amide:sc= -1.83! K(o=-1.8!,f=-1.3) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -3.41! C(o=-3.4!,f=-1.2!) USER MOD Single : A 410 LYS NZ :NH3+ -128:sc= 0.0354 (180deg=0) USER MOD Single : A 411 SER OG : rot 180:sc= -0.166 USER MOD Single : A 417 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0.441 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.015) USER MOD Single : A 427 THR OG1 : rot -103:sc= 1.02 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 434 ASN : amide:sc= -1.07 K(o=-1.1,f=-6.8!) USER MOD Single : A 437 SER OG : rot -100:sc= -4.07! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 170:sc=-0.00892 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 17.704 -3.049 -4.125 1.00 0.00 N ATOM 2 CA LEU A 386 17.538 -2.669 -2.738 1.00 0.00 C ATOM 3 C LEU A 386 16.969 -1.270 -2.670 1.00 0.00 C ATOM 4 O LEU A 386 17.663 -0.298 -2.372 1.00 0.00 O ATOM 5 CB LEU A 386 18.872 -2.728 -2.016 1.00 0.00 C ATOM 6 CG LEU A 386 19.672 -4.017 -2.210 1.00 0.00 C ATOM 7 CD1 LEU A 386 21.050 -3.886 -1.581 1.00 0.00 C ATOM 8 CD2 LEU A 386 18.931 -5.208 -1.620 1.00 0.00 C ATOM 0 HA LEU A 386 16.852 -3.363 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.483 -1.889 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 386 18.694 -2.589 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 386 19.792 -4.186 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 386 21.606 -4.812 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 386 21.587 -3.061 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 386 20.946 -3.691 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 386 19.519 -6.113 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 386 18.777 -5.048 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 386 17.965 -5.317 -2.114 1.00 0.00 H new ATOM 20 N ARG A 387 15.700 -1.193 -2.968 1.00 0.00 N ATOM 21 CA ARG A 387 15.043 0.076 -3.199 1.00 0.00 C ATOM 22 C ARG A 387 14.279 0.578 -1.993 1.00 0.00 C ATOM 23 O ARG A 387 14.202 -0.074 -0.950 1.00 0.00 O ATOM 24 CB ARG A 387 14.075 -0.026 -4.373 1.00 0.00 C ATOM 25 CG ARG A 387 14.730 -0.454 -5.667 1.00 0.00 C ATOM 26 CD ARG A 387 14.151 0.288 -6.856 1.00 0.00 C ATOM 27 NE ARG A 387 14.183 -0.497 -8.088 1.00 0.00 N ATOM 28 CZ ARG A 387 15.291 -0.870 -8.730 1.00 0.00 C ATOM 29 NH1 ARG A 387 16.494 -0.615 -8.224 1.00 0.00 N ATOM 30 NH2 ARG A 387 15.186 -1.511 -9.884 1.00 0.00 N ATOM 0 H ARG A 387 15.088 -2.004 -3.059 1.00 0.00 H new ATOM 0 HA ARG A 387 15.840 0.787 -3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.288 -0.737 -4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.595 0.941 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 387 15.803 -0.271 -5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.596 -1.527 -5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 387 13.121 0.568 -6.636 1.00 0.00 H new ATOM 0 HD3 ARG A 387 14.707 1.213 -7.006 1.00 0.00 H new ATOM 0 HE ARG A 387 13.289 -0.782 -8.488 1.00 0.00 H new ATOM 0 HH11 ARG A 387 16.579 -0.127 -7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 387 17.331 -0.907 -8.728 1.00 0.00 H new ATOM 0 HH21 ARG A 387 14.265 -1.714 -10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 387 16.026 -1.801 -10.384 1.00 0.00 H new ATOM 44 N LYS A 388 13.710 1.752 -2.184 1.00 0.00 N ATOM 45 CA LYS A 388 12.891 2.412 -1.188 1.00 0.00 C ATOM 46 C LYS A 388 11.568 2.832 -1.818 1.00 0.00 C ATOM 47 O LYS A 388 11.482 3.853 -2.501 1.00 0.00 O ATOM 48 CB LYS A 388 13.616 3.623 -0.577 1.00 0.00 C ATOM 49 CG LYS A 388 14.659 4.270 -1.482 1.00 0.00 C ATOM 50 CD LYS A 388 15.986 3.524 -1.423 1.00 0.00 C ATOM 51 CE LYS A 388 17.008 4.104 -2.383 1.00 0.00 C ATOM 52 NZ LYS A 388 17.279 5.539 -2.109 1.00 0.00 N ATOM 0 H LYS A 388 13.806 2.282 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 388 12.696 1.711 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 388 12.874 4.374 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 388 14.102 3.309 0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.293 4.284 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.809 5.307 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 388 16.379 3.564 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 388 15.822 2.473 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.937 3.539 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.649 3.992 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.098 5.851 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.446 6.105 -2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.483 5.667 -1.097 1.00 0.00 H new ATOM 66 N CYS A 389 10.555 2.008 -1.596 1.00 0.00 N ATOM 67 CA CYS A 389 9.239 2.187 -2.183 1.00 0.00 C ATOM 68 C CYS A 389 8.639 3.539 -1.834 1.00 0.00 C ATOM 69 O CYS A 389 8.542 3.906 -0.661 1.00 0.00 O ATOM 70 CB CYS A 389 8.302 1.094 -1.678 1.00 0.00 C ATOM 71 SG CYS A 389 9.043 -0.569 -1.631 1.00 0.00 S ATOM 0 H CYS A 389 10.626 1.187 -0.995 1.00 0.00 H new ATOM 0 HA CYS A 389 9.354 2.131 -3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 389 7.964 1.356 -0.675 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.418 1.067 -2.315 1.00 0.00 H new ATOM 76 N TYR A 390 8.250 4.276 -2.859 1.00 0.00 N ATOM 77 CA TYR A 390 7.445 5.468 -2.672 1.00 0.00 C ATOM 78 C TYR A 390 5.976 5.067 -2.642 1.00 0.00 C ATOM 79 O TYR A 390 5.515 4.315 -3.506 1.00 0.00 O ATOM 80 CB TYR A 390 7.704 6.478 -3.795 1.00 0.00 C ATOM 81 CG TYR A 390 6.864 7.735 -3.695 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.149 8.711 -2.749 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.789 7.946 -4.550 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.388 9.858 -2.655 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.022 9.093 -4.463 1.00 0.00 C ATOM 86 CZ TYR A 390 5.326 10.046 -3.514 1.00 0.00 C ATOM 87 OH TYR A 390 4.564 11.190 -3.422 1.00 0.00 O ATOM 0 H TYR A 390 8.479 4.069 -3.831 1.00 0.00 H new ATOM 0 HA TYR A 390 7.714 5.945 -1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.758 6.755 -3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.510 5.998 -4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.981 8.570 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.549 7.202 -5.295 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.623 10.605 -1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.189 9.242 -5.135 1.00 0.00 H new ATOM 0 HH TYR A 390 3.857 11.167 -4.100 1.00 0.00 H new ATOM 97 N PHE A 391 5.251 5.531 -1.639 1.00 0.00 N ATOM 98 CA PHE A 391 3.850 5.172 -1.494 1.00 0.00 C ATOM 99 C PHE A 391 2.980 6.031 -2.412 1.00 0.00 C ATOM 100 O PHE A 391 2.980 7.259 -2.306 1.00 0.00 O ATOM 101 CB PHE A 391 3.415 5.327 -0.040 1.00 0.00 C ATOM 102 CG PHE A 391 2.117 4.638 0.270 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.103 3.313 0.671 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.914 5.312 0.158 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.913 2.675 0.955 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.277 4.680 0.441 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.279 3.361 0.838 1.00 0.00 C ATOM 0 H PHE A 391 5.607 6.155 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 391 3.724 4.129 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.194 4.928 0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.319 6.388 0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 391 3.034 2.773 0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.908 6.346 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.914 1.641 1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.209 5.219 0.352 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.212 2.864 1.058 1.00 0.00 H new ATOM 117 N PRO A 392 2.236 5.390 -3.328 1.00 0.00 N ATOM 118 CA PRO A 392 1.435 6.085 -4.334 1.00 0.00 C ATOM 119 C PRO A 392 0.031 6.462 -3.854 1.00 0.00 C ATOM 120 O PRO A 392 -0.362 6.175 -2.721 1.00 0.00 O ATOM 121 CB PRO A 392 1.357 5.049 -5.451 1.00 0.00 C ATOM 122 CG PRO A 392 1.352 3.733 -4.747 1.00 0.00 C ATOM 123 CD PRO A 392 2.123 3.925 -3.463 1.00 0.00 C ATOM 0 HA PRO A 392 1.877 7.040 -4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.457 5.181 -6.051 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.207 5.132 -6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.332 3.408 -4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.814 2.962 -5.364 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.600 3.485 -2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.104 3.452 -3.512 1.00 0.00 H new ATOM 131 N TYR A 393 -0.713 7.110 -4.744 1.00 0.00 N ATOM 132 CA TYR A 393 -2.059 7.583 -4.449 1.00 0.00 C ATOM 133 C TYR A 393 -3.096 6.498 -4.720 1.00 0.00 C ATOM 134 O TYR A 393 -3.132 5.914 -5.803 1.00 0.00 O ATOM 135 CB TYR A 393 -2.361 8.834 -5.292 1.00 0.00 C ATOM 136 CG TYR A 393 -3.829 9.218 -5.347 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.443 9.855 -4.276 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.598 8.941 -6.474 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.781 10.201 -4.326 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.935 9.284 -6.529 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.522 9.913 -5.454 1.00 0.00 C ATOM 142 OH TYR A 393 -7.857 10.251 -5.503 1.00 0.00 O ATOM 0 H TYR A 393 -0.399 7.322 -5.691 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.113 7.837 -3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.794 9.673 -4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.004 8.666 -6.308 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.867 10.083 -3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.141 8.449 -7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.245 10.695 -3.485 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.517 9.060 -7.411 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.232 9.980 -6.367 1.00 0.00 H new ATOM 152 N LEU A 394 -3.933 6.226 -3.728 1.00 0.00 N ATOM 153 CA LEU A 394 -5.018 5.274 -3.890 1.00 0.00 C ATOM 154 C LEU A 394 -6.282 6.013 -4.296 1.00 0.00 C ATOM 155 O LEU A 394 -6.775 6.867 -3.560 1.00 0.00 O ATOM 156 CB LEU A 394 -5.288 4.488 -2.598 1.00 0.00 C ATOM 157 CG LEU A 394 -4.114 3.680 -2.030 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.415 2.900 -3.131 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.137 4.578 -1.287 1.00 0.00 C ATOM 0 H LEU A 394 -3.880 6.653 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.724 4.564 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.619 5.191 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.116 3.803 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.514 2.964 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.586 2.334 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.122 2.213 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.035 3.592 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.316 3.977 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.743 5.330 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.651 5.071 -0.462 1.00 0.00 H new ATOM 171 N GLU A 395 -6.787 5.692 -5.476 1.00 0.00 N ATOM 172 CA GLU A 395 -7.998 6.314 -5.997 1.00 0.00 C ATOM 173 C GLU A 395 -9.209 5.951 -5.142 1.00 0.00 C ATOM 174 O GLU A 395 -10.098 6.773 -4.921 1.00 0.00 O ATOM 175 CB GLU A 395 -8.225 5.868 -7.441 1.00 0.00 C ATOM 176 CG GLU A 395 -9.406 6.548 -8.111 1.00 0.00 C ATOM 177 CD GLU A 395 -9.683 5.998 -9.490 1.00 0.00 C ATOM 178 OE1 GLU A 395 -9.033 6.446 -10.456 1.00 0.00 O ATOM 179 OE2 GLU A 395 -10.551 5.111 -9.616 1.00 0.00 O ATOM 0 H GLU A 395 -6.374 4.997 -6.098 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.872 7.396 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.324 6.070 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.380 4.789 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -10.293 6.425 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -9.213 7.618 -8.182 1.00 0.00 H new ATOM 186 N ASN A 396 -9.228 4.717 -4.654 1.00 0.00 N ATOM 187 CA ASN A 396 -10.336 4.234 -3.839 1.00 0.00 C ATOM 188 C ASN A 396 -9.846 3.868 -2.444 1.00 0.00 C ATOM 189 O ASN A 396 -10.423 3.012 -1.767 1.00 0.00 O ATOM 190 CB ASN A 396 -11.006 3.026 -4.504 1.00 0.00 C ATOM 191 CG ASN A 396 -11.697 3.382 -5.810 1.00 0.00 C ATOM 192 OD1 ASN A 396 -12.866 3.764 -5.824 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.984 3.244 -6.919 1.00 0.00 N ATOM 0 H ASN A 396 -8.488 4.032 -4.808 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.074 5.032 -3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -10.256 2.258 -4.693 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.736 2.597 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -11.403 3.457 -7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -10.017 2.925 -6.867 1.00 0.00 H new ATOM 200 N GLY A 397 -8.785 4.532 -2.013 1.00 0.00 N ATOM 201 CA GLY A 397 -8.195 4.240 -0.724 1.00 0.00 C ATOM 202 C GLY A 397 -7.675 5.484 -0.043 1.00 0.00 C ATOM 203 O GLY A 397 -7.471 6.512 -0.689 1.00 0.00 O ATOM 0 H GLY A 397 -8.319 5.273 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.938 3.761 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.379 3.529 -0.852 1.00 0.00 H new ATOM 207 N TYR A 398 -7.454 5.392 1.258 1.00 0.00 N ATOM 208 CA TYR A 398 -6.990 6.520 2.036 1.00 0.00 C ATOM 209 C TYR A 398 -5.478 6.639 1.931 1.00 0.00 C ATOM 210 O TYR A 398 -4.731 5.832 2.493 1.00 0.00 O ATOM 211 CB TYR A 398 -7.420 6.362 3.495 1.00 0.00 C ATOM 212 CG TYR A 398 -8.915 6.217 3.668 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.765 7.293 3.456 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.475 5.001 4.034 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.132 7.161 3.605 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.841 4.861 4.185 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.666 5.943 3.969 1.00 0.00 C ATOM 218 OH TYR A 398 -13.026 5.806 4.116 1.00 0.00 O ATOM 0 H TYR A 398 -7.591 4.538 1.798 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.436 7.433 1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.926 5.488 3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.078 7.228 4.063 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.351 8.249 3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.832 4.150 4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.780 8.009 3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.260 3.908 4.471 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.236 4.884 4.374 1.00 0.00 H new ATOM 228 N ASN A 399 -5.033 7.658 1.213 1.00 0.00 N ATOM 229 CA ASN A 399 -3.615 7.875 0.962 1.00 0.00 C ATOM 230 C ASN A 399 -2.946 8.549 2.152 1.00 0.00 C ATOM 231 O ASN A 399 -2.297 9.586 2.019 1.00 0.00 O ATOM 232 CB ASN A 399 -3.413 8.704 -0.310 1.00 0.00 C ATOM 233 CG ASN A 399 -4.354 9.887 -0.409 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.038 10.994 0.029 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.518 9.659 -0.990 1.00 0.00 N ATOM 0 H ASN A 399 -5.642 8.357 0.788 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.146 6.902 0.818 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.384 9.063 -0.342 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.554 8.062 -1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.195 10.415 -1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.740 8.727 -1.339 1.00 0.00 H new ATOM 242 N GLN A 400 -3.097 7.933 3.313 1.00 0.00 N ATOM 243 CA GLN A 400 -2.507 8.433 4.544 1.00 0.00 C ATOM 244 C GLN A 400 -0.987 8.421 4.446 1.00 0.00 C ATOM 245 O GLN A 400 -0.307 9.281 5.002 1.00 0.00 O ATOM 246 CB GLN A 400 -2.940 7.552 5.715 1.00 0.00 C ATOM 247 CG GLN A 400 -4.442 7.348 5.818 1.00 0.00 C ATOM 248 CD GLN A 400 -4.803 6.229 6.777 1.00 0.00 C ATOM 249 OE1 GLN A 400 -5.005 6.453 7.970 1.00 0.00 O ATOM 250 NE2 GLN A 400 -4.876 5.013 6.261 1.00 0.00 N ATOM 0 H GLN A 400 -3.632 7.072 3.429 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.847 9.456 4.704 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.458 6.579 5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.581 7.997 6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.911 8.274 6.150 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.845 7.123 4.831 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -4.701 4.870 5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.107 4.219 6.858 1.00 0.00 H new ATOM 259 N ASN A 401 -0.470 7.441 3.714 1.00 0.00 N ATOM 260 CA ASN A 401 0.967 7.216 3.630 1.00 0.00 C ATOM 261 C ASN A 401 1.535 7.791 2.340 1.00 0.00 C ATOM 262 O ASN A 401 2.736 7.692 2.087 1.00 0.00 O ATOM 263 CB ASN A 401 1.269 5.716 3.693 1.00 0.00 C ATOM 264 CG ASN A 401 0.636 5.035 4.890 1.00 0.00 C ATOM 265 OD1 ASN A 401 0.501 5.625 5.958 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.223 3.790 4.708 1.00 0.00 N ATOM 0 H ASN A 401 -1.029 6.786 3.167 1.00 0.00 H new ATOM 0 HA ASN A 401 1.436 7.721 4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.911 5.240 2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.349 5.569 3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.227 3.285 5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.355 3.336 3.804 1.00 0.00 H new ATOM 273 N TYR A 402 0.674 8.380 1.517 1.00 0.00 N ATOM 274 CA TYR A 402 1.104 8.934 0.240 1.00 0.00 C ATOM 275 C TYR A 402 2.096 10.065 0.460 1.00 0.00 C ATOM 276 O TYR A 402 1.790 11.059 1.124 1.00 0.00 O ATOM 277 CB TYR A 402 -0.105 9.406 -0.573 1.00 0.00 C ATOM 278 CG TYR A 402 0.235 10.230 -1.798 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.677 9.626 -2.966 1.00 0.00 C ATOM 280 CD2 TYR A 402 0.094 11.611 -1.787 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.970 10.374 -4.090 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.387 12.367 -2.905 1.00 0.00 C ATOM 283 CZ TYR A 402 0.823 11.743 -4.055 1.00 0.00 C ATOM 284 OH TYR A 402 1.111 12.491 -5.173 1.00 0.00 O ATOM 0 H TYR A 402 -0.322 8.485 1.711 1.00 0.00 H new ATOM 0 HA TYR A 402 1.607 8.153 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -0.677 8.533 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.753 9.995 0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.794 8.553 -2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.251 12.102 -0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.313 9.888 -4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.275 13.441 -2.879 1.00 0.00 H new ATOM 0 HH TYR A 402 0.954 13.439 -4.982 1.00 0.00 H new ATOM 294 N GLY A 403 3.288 9.891 -0.087 1.00 0.00 N ATOM 295 CA GLY A 403 4.345 10.862 0.093 1.00 0.00 C ATOM 296 C GLY A 403 5.507 10.291 0.880 1.00 0.00 C ATOM 297 O GLY A 403 6.600 10.858 0.896 1.00 0.00 O ATOM 0 H GLY A 403 3.544 9.086 -0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.697 11.200 -0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.951 11.737 0.610 1.00 0.00 H new ATOM 301 N ARG A 404 5.270 9.155 1.524 1.00 0.00 N ATOM 302 CA ARG A 404 6.282 8.525 2.361 1.00 0.00 C ATOM 303 C ARG A 404 7.124 7.537 1.567 1.00 0.00 C ATOM 304 O ARG A 404 6.694 7.020 0.532 1.00 0.00 O ATOM 305 CB ARG A 404 5.634 7.800 3.539 1.00 0.00 C ATOM 306 CG ARG A 404 4.772 8.692 4.410 1.00 0.00 C ATOM 307 CD ARG A 404 4.181 7.915 5.573 1.00 0.00 C ATOM 308 NE ARG A 404 3.105 8.646 6.235 1.00 0.00 N ATOM 309 CZ ARG A 404 2.531 8.253 7.371 1.00 0.00 C ATOM 310 NH1 ARG A 404 2.985 7.183 8.012 1.00 0.00 N ATOM 311 NH2 ARG A 404 1.512 8.934 7.876 1.00 0.00 N ATOM 0 H ARG A 404 4.384 8.651 1.482 1.00 0.00 H new ATOM 0 HA ARG A 404 6.931 9.318 2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 404 5.023 6.981 3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.416 7.355 4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.369 9.522 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.969 9.124 3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.801 6.959 5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.966 7.694 6.296 1.00 0.00 H new ATOM 0 HE ARG A 404 2.773 9.508 5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.775 6.660 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.544 6.884 8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 404 1.164 9.763 7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.076 8.629 8.746 1.00 0.00 H new ATOM 325 N LYS A 405 8.322 7.281 2.068 1.00 0.00 N ATOM 326 CA LYS A 405 9.244 6.348 1.457 1.00 0.00 C ATOM 327 C LYS A 405 9.692 5.309 2.477 1.00 0.00 C ATOM 328 O LYS A 405 10.050 5.650 3.604 1.00 0.00 O ATOM 329 CB LYS A 405 10.448 7.113 0.925 1.00 0.00 C ATOM 330 CG LYS A 405 10.155 7.917 -0.329 1.00 0.00 C ATOM 331 CD LYS A 405 11.033 9.153 -0.416 1.00 0.00 C ATOM 332 CE LYS A 405 12.513 8.802 -0.442 1.00 0.00 C ATOM 333 NZ LYS A 405 13.361 10.017 -0.334 1.00 0.00 N ATOM 0 H LYS A 405 8.681 7.720 2.916 1.00 0.00 H new ATOM 0 HA LYS A 405 8.748 5.833 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.811 7.787 1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.251 6.407 0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 405 10.315 7.293 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.106 8.213 -0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 405 10.778 9.716 -1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 405 10.830 9.802 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 405 12.742 8.123 0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 405 12.747 8.274 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 14.364 9.743 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 13.159 10.653 -1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 13.154 10.506 0.560 1.00 0.00 H new ATOM 347 N PHE A 406 9.660 4.046 2.083 1.00 0.00 N ATOM 348 CA PHE A 406 10.060 2.954 2.965 1.00 0.00 C ATOM 349 C PHE A 406 11.090 2.076 2.273 1.00 0.00 C ATOM 350 O PHE A 406 11.061 1.930 1.061 1.00 0.00 O ATOM 351 CB PHE A 406 8.841 2.111 3.359 1.00 0.00 C ATOM 352 CG PHE A 406 7.802 2.868 4.138 1.00 0.00 C ATOM 353 CD1 PHE A 406 7.906 2.991 5.514 1.00 0.00 C ATOM 354 CD2 PHE A 406 6.724 3.456 3.496 1.00 0.00 C ATOM 355 CE1 PHE A 406 6.953 3.684 6.234 1.00 0.00 C ATOM 356 CE2 PHE A 406 5.768 4.150 4.211 1.00 0.00 C ATOM 357 CZ PHE A 406 5.883 4.264 5.582 1.00 0.00 C ATOM 0 H PHE A 406 9.360 3.748 1.155 1.00 0.00 H new ATOM 0 HA PHE A 406 10.500 3.380 3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.382 1.709 2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.177 1.260 3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 406 8.741 2.540 6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.630 3.370 2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 406 7.045 3.772 7.306 1.00 0.00 H new ATOM 0 HE2 PHE A 406 4.932 4.603 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 406 5.137 4.806 6.144 1.00 0.00 H new ATOM 367 N VAL A 407 11.998 1.499 3.045 1.00 0.00 N ATOM 368 CA VAL A 407 13.026 0.625 2.489 1.00 0.00 C ATOM 369 C VAL A 407 12.476 -0.782 2.274 1.00 0.00 C ATOM 370 O VAL A 407 11.586 -1.226 3.006 1.00 0.00 O ATOM 371 CB VAL A 407 14.268 0.566 3.403 1.00 0.00 C ATOM 372 CG1 VAL A 407 14.997 1.900 3.396 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.879 0.184 4.824 1.00 0.00 C ATOM 0 H VAL A 407 12.046 1.618 4.057 1.00 0.00 H new ATOM 0 HA VAL A 407 13.326 1.042 1.528 1.00 0.00 H new ATOM 0 HB VAL A 407 14.938 -0.201 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.870 1.841 4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.316 2.135 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.329 2.682 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.772 0.149 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 407 13.186 0.924 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.401 -0.796 4.819 1.00 0.00 H new ATOM 383 N GLN A 408 12.988 -1.471 1.254 1.00 0.00 N ATOM 384 CA GLN A 408 12.507 -2.811 0.923 1.00 0.00 C ATOM 385 C GLN A 408 12.729 -3.775 2.075 1.00 0.00 C ATOM 386 O GLN A 408 13.820 -3.854 2.643 1.00 0.00 O ATOM 387 CB GLN A 408 13.184 -3.360 -0.335 1.00 0.00 C ATOM 388 CG GLN A 408 12.663 -4.733 -0.721 1.00 0.00 C ATOM 389 CD GLN A 408 13.428 -5.384 -1.851 1.00 0.00 C ATOM 390 OE1 GLN A 408 13.479 -6.604 -1.949 1.00 0.00 O ATOM 391 NE2 GLN A 408 14.030 -4.580 -2.706 1.00 0.00 N ATOM 0 H GLN A 408 13.731 -1.126 0.647 1.00 0.00 H new ATOM 0 HA GLN A 408 11.437 -2.721 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.024 -2.668 -1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.260 -3.416 -0.170 1.00 0.00 H new ATOM 0 HG2 GLN A 408 12.701 -5.384 0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 408 11.615 -4.646 -1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.963 -3.569 -2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.562 -4.969 -3.484 1.00 0.00 H new ATOM 400 N GLY A 409 11.694 -4.529 2.385 1.00 0.00 N ATOM 401 CA GLY A 409 11.726 -5.397 3.535 1.00 0.00 C ATOM 402 C GLY A 409 10.930 -4.795 4.662 1.00 0.00 C ATOM 403 O GLY A 409 11.208 -5.026 5.838 1.00 0.00 O ATOM 0 H GLY A 409 10.823 -4.555 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.319 -6.374 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.757 -5.555 3.852 1.00 0.00 H new ATOM 407 N LYS A 410 9.955 -3.984 4.290 1.00 0.00 N ATOM 408 CA LYS A 410 9.103 -3.318 5.253 1.00 0.00 C ATOM 409 C LYS A 410 7.641 -3.562 4.932 1.00 0.00 C ATOM 410 O LYS A 410 7.305 -3.980 3.833 1.00 0.00 O ATOM 411 CB LYS A 410 9.384 -1.819 5.243 1.00 0.00 C ATOM 412 CG LYS A 410 10.230 -1.342 6.411 1.00 0.00 C ATOM 413 CD LYS A 410 9.543 -1.599 7.745 1.00 0.00 C ATOM 414 CE LYS A 410 8.274 -0.774 7.898 1.00 0.00 C ATOM 415 NZ LYS A 410 7.574 -1.064 9.179 1.00 0.00 N ATOM 0 H LYS A 410 9.734 -3.771 3.317 1.00 0.00 H new ATOM 0 HA LYS A 410 9.317 -3.723 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.889 -1.560 4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.436 -1.282 5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.194 -1.851 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.430 -0.276 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.300 -2.658 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.229 -1.363 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 410 8.523 0.286 7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 410 7.604 -0.981 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 6.577 -1.290 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 8.028 -1.874 9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 7.626 -0.231 9.800 1.00 0.00 H new ATOM 429 N SER A 411 6.780 -3.303 5.893 1.00 0.00 N ATOM 430 CA SER A 411 5.348 -3.388 5.676 1.00 0.00 C ATOM 431 C SER A 411 4.660 -2.176 6.284 1.00 0.00 C ATOM 432 O SER A 411 5.236 -1.484 7.128 1.00 0.00 O ATOM 433 CB SER A 411 4.787 -4.684 6.271 1.00 0.00 C ATOM 434 OG SER A 411 3.379 -4.778 6.105 1.00 0.00 O ATOM 0 H SER A 411 7.047 -3.030 6.839 1.00 0.00 H new ATOM 0 HA SER A 411 5.155 -3.399 4.603 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.266 -5.539 5.795 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.031 -4.732 7.332 1.00 0.00 H new ATOM 0 HG SER A 411 3.059 -5.618 6.495 1.00 0.00 H new ATOM 440 N ILE A 412 3.442 -1.924 5.840 1.00 0.00 N ATOM 441 CA ILE A 412 2.659 -0.795 6.317 1.00 0.00 C ATOM 442 C ILE A 412 1.200 -0.981 5.917 1.00 0.00 C ATOM 443 O ILE A 412 0.889 -1.538 4.860 1.00 0.00 O ATOM 444 CB ILE A 412 3.228 0.550 5.782 1.00 0.00 C ATOM 445 CG1 ILE A 412 3.200 1.636 6.859 1.00 0.00 C ATOM 446 CG2 ILE A 412 2.505 1.023 4.526 1.00 0.00 C ATOM 447 CD1 ILE A 412 1.843 2.239 7.102 1.00 0.00 C ATOM 0 H ILE A 412 2.967 -2.494 5.140 1.00 0.00 H new ATOM 0 HA ILE A 412 2.721 -0.756 7.405 1.00 0.00 H new ATOM 0 HB ILE A 412 4.267 0.362 5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 412 3.568 1.213 7.794 1.00 0.00 H new ATOM 0 HG13 ILE A 412 3.891 2.430 6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.938 1.965 4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 412 2.612 0.275 3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.448 1.168 4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.916 2.999 7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.478 2.696 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 412 1.150 1.460 7.420 1.00 0.00 H new ATOM 459 N ASP A 413 0.322 -0.555 6.801 1.00 0.00 N ATOM 460 CA ASP A 413 -1.117 -0.711 6.620 1.00 0.00 C ATOM 461 C ASP A 413 -1.683 0.336 5.666 1.00 0.00 C ATOM 462 O ASP A 413 -1.315 1.513 5.719 1.00 0.00 O ATOM 463 CB ASP A 413 -1.813 -0.632 7.976 1.00 0.00 C ATOM 464 CG ASP A 413 -3.327 -0.573 7.869 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.965 -1.638 7.734 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.891 0.539 7.951 1.00 0.00 O ATOM 0 H ASP A 413 0.581 -0.088 7.670 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.301 -1.688 6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.531 -1.499 8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.458 0.250 8.508 1.00 0.00 H new ATOM 471 N VAL A 414 -2.578 -0.110 4.796 1.00 0.00 N ATOM 472 CA VAL A 414 -3.198 0.752 3.803 1.00 0.00 C ATOM 473 C VAL A 414 -4.712 0.632 3.880 1.00 0.00 C ATOM 474 O VAL A 414 -5.291 -0.342 3.398 1.00 0.00 O ATOM 475 CB VAL A 414 -2.751 0.393 2.370 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.306 1.393 1.364 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.238 0.320 2.276 1.00 0.00 C ATOM 0 H VAL A 414 -2.894 -1.079 4.760 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.883 1.772 4.023 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.152 -0.591 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.978 1.120 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.395 1.384 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -2.942 2.392 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -0.949 0.065 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.810 1.286 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -0.867 -0.444 2.960 1.00 0.00 H new ATOM 487 N ALA A 415 -5.347 1.612 4.494 1.00 0.00 N ATOM 488 CA ALA A 415 -6.795 1.615 4.621 1.00 0.00 C ATOM 489 C ALA A 415 -7.458 2.050 3.323 1.00 0.00 C ATOM 490 O ALA A 415 -7.251 3.168 2.849 1.00 0.00 O ATOM 491 CB ALA A 415 -7.228 2.519 5.763 1.00 0.00 C ATOM 0 H ALA A 415 -4.884 2.418 4.914 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.114 0.596 4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.315 2.509 5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.792 2.161 6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.888 3.537 5.571 1.00 0.00 H new ATOM 497 N CYS A 416 -8.236 1.160 2.741 1.00 0.00 N ATOM 498 CA CYS A 416 -9.026 1.493 1.571 1.00 0.00 C ATOM 499 C CYS A 416 -10.478 1.678 1.998 1.00 0.00 C ATOM 500 O CYS A 416 -10.835 1.336 3.128 1.00 0.00 O ATOM 501 CB CYS A 416 -8.905 0.388 0.517 1.00 0.00 C ATOM 502 SG CYS A 416 -7.186 -0.071 0.116 1.00 0.00 S ATOM 0 H CYS A 416 -8.339 0.197 3.060 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.659 2.418 1.126 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.433 -0.497 0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.405 0.714 -0.395 1.00 0.00 H new ATOM 507 N HIS A 417 -11.311 2.230 1.122 1.00 0.00 N ATOM 508 CA HIS A 417 -12.724 2.430 1.455 1.00 0.00 C ATOM 509 C HIS A 417 -13.425 1.086 1.641 1.00 0.00 C ATOM 510 O HIS A 417 -12.945 0.058 1.170 1.00 0.00 O ATOM 511 CB HIS A 417 -13.450 3.254 0.382 1.00 0.00 C ATOM 512 CG HIS A 417 -13.097 4.710 0.385 1.00 0.00 C ATOM 513 ND1 HIS A 417 -13.990 5.697 0.739 1.00 0.00 N ATOM 514 CD2 HIS A 417 -11.943 5.344 0.078 1.00 0.00 C ATOM 515 CE1 HIS A 417 -13.402 6.875 0.646 1.00 0.00 C ATOM 516 NE2 HIS A 417 -12.157 6.687 0.248 1.00 0.00 N ATOM 0 H HIS A 417 -11.042 2.544 0.189 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.762 2.988 2.391 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.219 2.837 -0.598 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.525 3.152 0.527 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.023 4.878 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -13.861 7.829 0.859 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -11.467 7.422 0.092 1.00 0.00 H new ATOM 525 N PRO A 418 -14.561 1.088 2.353 1.00 0.00 N ATOM 526 CA PRO A 418 -15.350 -0.120 2.624 1.00 0.00 C ATOM 527 C PRO A 418 -15.686 -0.896 1.356 1.00 0.00 C ATOM 528 O PRO A 418 -16.474 -0.446 0.522 1.00 0.00 O ATOM 529 CB PRO A 418 -16.622 0.433 3.266 1.00 0.00 C ATOM 530 CG PRO A 418 -16.194 1.708 3.890 1.00 0.00 C ATOM 531 CD PRO A 418 -15.175 2.280 2.953 1.00 0.00 C ATOM 0 HA PRO A 418 -14.809 -0.829 3.250 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.403 0.596 2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.026 -0.257 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.037 2.387 4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.769 1.539 4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.635 2.918 2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.440 2.889 3.480 1.00 0.00 H new ATOM 539 N GLY A 419 -15.073 -2.059 1.218 1.00 0.00 N ATOM 540 CA GLY A 419 -15.278 -2.881 0.045 1.00 0.00 C ATOM 541 C GLY A 419 -14.112 -2.804 -0.906 1.00 0.00 C ATOM 542 O GLY A 419 -14.172 -3.325 -2.015 1.00 0.00 O ATOM 0 H GLY A 419 -14.430 -2.453 1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -15.430 -3.916 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.186 -2.563 -0.467 1.00 0.00 H new ATOM 546 N TYR A 420 -13.055 -2.144 -0.469 1.00 0.00 N ATOM 547 CA TYR A 420 -11.804 -2.114 -1.203 1.00 0.00 C ATOM 548 C TYR A 420 -10.678 -2.567 -0.290 1.00 0.00 C ATOM 549 O TYR A 420 -10.654 -2.219 0.892 1.00 0.00 O ATOM 550 CB TYR A 420 -11.516 -0.710 -1.748 1.00 0.00 C ATOM 551 CG TYR A 420 -12.528 -0.231 -2.770 1.00 0.00 C ATOM 552 CD1 TYR A 420 -12.470 -0.675 -4.084 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.545 0.653 -2.422 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.390 -0.253 -5.023 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.473 1.077 -3.357 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.389 0.622 -4.656 1.00 0.00 C ATOM 557 OH TYR A 420 -15.313 1.033 -5.591 1.00 0.00 O ATOM 0 H TYR A 420 -13.040 -1.615 0.403 1.00 0.00 H new ATOM 0 HA TYR A 420 -11.880 -2.790 -2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.492 -0.006 -0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.525 -0.703 -2.201 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.691 -1.363 -4.377 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.611 1.014 -1.406 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.327 -0.607 -6.041 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.259 1.761 -3.071 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.951 1.648 -5.172 1.00 0.00 H new ATOM 567 N ALA A 421 -9.770 -3.362 -0.829 1.00 0.00 N ATOM 568 CA ALA A 421 -8.653 -3.883 -0.054 1.00 0.00 C ATOM 569 C ALA A 421 -7.519 -4.336 -0.965 1.00 0.00 C ATOM 570 O ALA A 421 -7.551 -4.117 -2.175 1.00 0.00 O ATOM 571 CB ALA A 421 -9.111 -5.034 0.832 1.00 0.00 C ATOM 0 H ALA A 421 -9.783 -3.663 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.279 -3.079 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.264 -5.412 1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -9.883 -4.682 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.514 -5.833 0.210 1.00 0.00 H new ATOM 577 N LEU A 422 -6.523 -4.968 -0.379 1.00 0.00 N ATOM 578 CA LEU A 422 -5.363 -5.426 -1.119 1.00 0.00 C ATOM 579 C LEU A 422 -5.488 -6.890 -1.495 1.00 0.00 C ATOM 580 O LEU A 422 -6.298 -7.623 -0.928 1.00 0.00 O ATOM 581 CB LEU A 422 -4.114 -5.221 -0.275 1.00 0.00 C ATOM 582 CG LEU A 422 -3.733 -3.760 -0.045 1.00 0.00 C ATOM 583 CD1 LEU A 422 -2.681 -3.651 1.039 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.237 -3.135 -1.337 1.00 0.00 C ATOM 0 H LEU A 422 -6.493 -5.178 0.619 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.294 -4.846 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.263 -5.700 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.279 -5.729 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.619 -3.217 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.421 -2.603 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.072 -4.065 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -1.792 -4.206 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -2.969 -2.094 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.362 -3.679 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.024 -3.183 -2.090 1.00 0.00 H new ATOM 596 N PRO A 423 -4.692 -7.315 -2.483 1.00 0.00 N ATOM 597 CA PRO A 423 -4.568 -8.721 -2.864 1.00 0.00 C ATOM 598 C PRO A 423 -4.252 -9.614 -1.667 1.00 0.00 C ATOM 599 O PRO A 423 -3.656 -9.169 -0.681 1.00 0.00 O ATOM 600 CB PRO A 423 -3.401 -8.713 -3.851 1.00 0.00 C ATOM 601 CG PRO A 423 -3.438 -7.355 -4.443 1.00 0.00 C ATOM 602 CD PRO A 423 -3.870 -6.442 -3.338 1.00 0.00 C ATOM 0 HA PRO A 423 -5.493 -9.120 -3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.453 -8.903 -3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.518 -9.483 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -2.459 -7.069 -4.827 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.134 -7.312 -5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.017 -6.035 -2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.442 -5.594 -3.716 1.00 0.00 H new ATOM 610 N LYS A 424 -4.675 -10.865 -1.771 1.00 0.00 N ATOM 611 CA LYS A 424 -4.488 -11.872 -0.723 1.00 0.00 C ATOM 612 C LYS A 424 -5.240 -11.488 0.551 1.00 0.00 C ATOM 613 O LYS A 424 -4.866 -11.901 1.652 1.00 0.00 O ATOM 614 CB LYS A 424 -2.999 -12.093 -0.423 1.00 0.00 C ATOM 615 CG LYS A 424 -2.192 -12.580 -1.620 1.00 0.00 C ATOM 616 CD LYS A 424 -2.778 -13.850 -2.216 1.00 0.00 C ATOM 617 CE LYS A 424 -1.951 -14.349 -3.390 1.00 0.00 C ATOM 618 NZ LYS A 424 -2.600 -15.494 -4.080 1.00 0.00 N ATOM 0 H LYS A 424 -5.164 -11.219 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 424 -4.902 -12.810 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.569 -11.158 -0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -2.905 -12.819 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.164 -11.800 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -1.162 -12.764 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -2.827 -14.624 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -3.800 -13.661 -2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -1.801 -13.536 -4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -0.965 -14.650 -3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -2.004 -15.804 -4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -2.720 -16.280 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -3.531 -15.200 -4.440 1.00 0.00 H new ATOM 632 N ALA A 425 -6.305 -10.703 0.376 1.00 0.00 N ATOM 633 CA ALA A 425 -7.155 -10.246 1.476 1.00 0.00 C ATOM 634 C ALA A 425 -6.361 -9.445 2.506 1.00 0.00 C ATOM 635 O ALA A 425 -6.757 -9.346 3.671 1.00 0.00 O ATOM 636 CB ALA A 425 -7.859 -11.425 2.136 1.00 0.00 C ATOM 0 H ALA A 425 -6.603 -10.365 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.910 -9.582 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.486 -11.064 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.479 -11.937 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.116 -12.119 2.529 1.00 0.00 H new ATOM 642 N GLN A 426 -5.256 -8.856 2.070 1.00 0.00 N ATOM 643 CA GLN A 426 -4.369 -8.129 2.967 1.00 0.00 C ATOM 644 C GLN A 426 -4.809 -6.681 3.130 1.00 0.00 C ATOM 645 O GLN A 426 -5.587 -6.158 2.331 1.00 0.00 O ATOM 646 CB GLN A 426 -2.932 -8.168 2.440 1.00 0.00 C ATOM 647 CG GLN A 426 -2.340 -9.566 2.388 1.00 0.00 C ATOM 648 CD GLN A 426 -0.935 -9.591 1.813 1.00 0.00 C ATOM 649 OE1 GLN A 426 -0.117 -10.434 2.178 1.00 0.00 O ATOM 650 NE2 GLN A 426 -0.645 -8.677 0.900 1.00 0.00 N ATOM 0 H GLN A 426 -4.952 -8.868 1.096 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.415 -8.616 3.941 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -2.909 -7.736 1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.305 -7.540 3.073 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.323 -9.986 3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -2.985 -10.206 1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -1.349 -7.993 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.282 -8.657 0.475 1.00 0.00 H new ATOM 659 N THR A 427 -4.324 -6.051 4.190 1.00 0.00 N ATOM 660 CA THR A 427 -4.525 -4.629 4.408 1.00 0.00 C ATOM 661 C THR A 427 -3.167 -3.949 4.494 1.00 0.00 C ATOM 662 O THR A 427 -3.064 -2.728 4.549 1.00 0.00 O ATOM 663 CB THR A 427 -5.340 -4.356 5.700 1.00 0.00 C ATOM 664 OG1 THR A 427 -5.596 -2.952 5.863 1.00 0.00 O ATOM 665 CG2 THR A 427 -4.618 -4.884 6.930 1.00 0.00 C ATOM 0 H THR A 427 -3.781 -6.511 4.921 1.00 0.00 H new ATOM 0 HA THR A 427 -5.097 -4.226 3.572 1.00 0.00 H new ATOM 0 HB THR A 427 -6.290 -4.881 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.994 -2.587 6.544 1.00 0.00 H new ATOM 0 HG21 THR A 427 -5.214 -4.677 7.819 1.00 0.00 H new ATOM 0 HG22 THR A 427 -4.473 -5.960 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 427 -3.649 -4.394 7.021 1.00 0.00 H new ATOM 673 N THR A 428 -2.123 -4.762 4.494 1.00 0.00 N ATOM 674 CA THR A 428 -0.774 -4.281 4.597 1.00 0.00 C ATOM 675 C THR A 428 0.020 -4.555 3.322 1.00 0.00 C ATOM 676 O THR A 428 -0.104 -5.623 2.717 1.00 0.00 O ATOM 677 CB THR A 428 -0.085 -4.970 5.774 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.570 -6.315 5.893 1.00 0.00 O ATOM 679 CG2 THR A 428 -0.320 -4.210 7.068 1.00 0.00 C ATOM 0 H THR A 428 -2.198 -5.777 4.422 1.00 0.00 H new ATOM 0 HA THR A 428 -0.809 -3.202 4.750 1.00 0.00 H new ATOM 0 HB THR A 428 0.989 -4.986 5.587 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.127 -6.757 6.647 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.182 -4.724 7.888 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.079 -3.200 6.974 1.00 0.00 H new ATOM 0 HG23 THR A 428 -1.390 -4.160 7.272 1.00 0.00 H new ATOM 687 N VAL A 429 0.837 -3.595 2.923 1.00 0.00 N ATOM 688 CA VAL A 429 1.714 -3.763 1.772 1.00 0.00 C ATOM 689 C VAL A 429 3.150 -3.921 2.217 1.00 0.00 C ATOM 690 O VAL A 429 3.584 -3.319 3.198 1.00 0.00 O ATOM 691 CB VAL A 429 1.622 -2.590 0.772 1.00 0.00 C ATOM 692 CG1 VAL A 429 0.341 -2.669 -0.031 1.00 0.00 C ATOM 693 CG2 VAL A 429 1.717 -1.255 1.486 1.00 0.00 C ATOM 0 H VAL A 429 0.913 -2.686 3.380 1.00 0.00 H new ATOM 0 HA VAL A 429 1.377 -4.665 1.261 1.00 0.00 H new ATOM 0 HB VAL A 429 2.466 -2.670 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.297 -1.833 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.317 -3.607 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -0.514 -2.624 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.649 -0.447 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 429 0.900 -1.167 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.670 -1.191 2.012 1.00 0.00 H new ATOM 703 N THR A 430 3.872 -4.746 1.496 1.00 0.00 N ATOM 704 CA THR A 430 5.259 -5.003 1.789 1.00 0.00 C ATOM 705 C THR A 430 6.129 -4.218 0.819 1.00 0.00 C ATOM 706 O THR A 430 5.988 -4.363 -0.390 1.00 0.00 O ATOM 707 CB THR A 430 5.546 -6.506 1.644 1.00 0.00 C ATOM 708 OG1 THR A 430 4.595 -7.263 2.406 1.00 0.00 O ATOM 709 CG2 THR A 430 6.959 -6.852 2.096 1.00 0.00 C ATOM 0 H THR A 430 3.513 -5.257 0.690 1.00 0.00 H new ATOM 0 HA THR A 430 5.482 -4.694 2.810 1.00 0.00 H new ATOM 0 HB THR A 430 5.457 -6.761 0.588 1.00 0.00 H new ATOM 0 HG1 THR A 430 4.784 -8.220 2.307 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.126 -7.923 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.680 -6.304 1.489 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.083 -6.577 3.143 1.00 0.00 H new ATOM 717 N CYS A 431 6.993 -3.363 1.331 1.00 0.00 N ATOM 718 CA CYS A 431 7.895 -2.620 0.471 1.00 0.00 C ATOM 719 C CYS A 431 8.875 -3.565 -0.177 1.00 0.00 C ATOM 720 O CYS A 431 9.700 -4.171 0.504 1.00 0.00 O ATOM 721 CB CYS A 431 8.680 -1.566 1.244 1.00 0.00 C ATOM 722 SG CYS A 431 9.885 -0.658 0.216 1.00 0.00 S ATOM 0 H CYS A 431 7.090 -3.166 2.327 1.00 0.00 H new ATOM 0 HA CYS A 431 7.286 -2.118 -0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 431 7.982 -0.855 1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.207 -2.048 2.068 1.00 0.00 H new ATOM 727 N MET A 432 8.779 -3.707 -1.484 1.00 0.00 N ATOM 728 CA MET A 432 9.744 -4.483 -2.206 1.00 0.00 C ATOM 729 C MET A 432 10.041 -3.877 -3.543 1.00 0.00 C ATOM 730 O MET A 432 9.141 -3.452 -4.266 1.00 0.00 O ATOM 731 CB MET A 432 9.322 -5.931 -2.358 1.00 0.00 C ATOM 732 CG MET A 432 9.686 -6.755 -1.144 1.00 0.00 C ATOM 733 SD MET A 432 10.047 -8.475 -1.555 1.00 0.00 S ATOM 734 CE MET A 432 10.383 -9.145 0.071 1.00 0.00 C ATOM 0 H MET A 432 8.043 -3.294 -2.058 1.00 0.00 H new ATOM 0 HA MET A 432 10.658 -4.472 -1.612 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.245 -5.980 -2.520 1.00 0.00 H new ATOM 0 HB3 MET A 432 9.797 -6.357 -3.242 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.554 -6.312 -0.656 1.00 0.00 H new ATOM 0 HG3 MET A 432 8.866 -6.721 -0.427 1.00 0.00 H new ATOM 0 HE1 MET A 432 10.624 -10.205 -0.015 1.00 0.00 H new ATOM 0 HE2 MET A 432 11.226 -8.616 0.515 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.504 -9.023 0.704 1.00 0.00 H new ATOM 744 N GLU A 433 11.330 -3.865 -3.832 1.00 0.00 N ATOM 745 CA GLU A 433 11.906 -3.301 -5.027 1.00 0.00 C ATOM 746 C GLU A 433 11.157 -2.059 -5.514 1.00 0.00 C ATOM 747 O GLU A 433 10.844 -1.930 -6.695 1.00 0.00 O ATOM 748 CB GLU A 433 11.995 -4.399 -6.066 1.00 0.00 C ATOM 749 CG GLU A 433 12.114 -5.780 -5.431 1.00 0.00 C ATOM 750 CD GLU A 433 12.450 -6.880 -6.410 1.00 0.00 C ATOM 751 OE1 GLU A 433 11.785 -6.976 -7.461 1.00 0.00 O ATOM 752 OE2 GLU A 433 13.379 -7.665 -6.120 1.00 0.00 O ATOM 0 H GLU A 433 12.030 -4.267 -3.209 1.00 0.00 H new ATOM 0 HA GLU A 433 12.910 -2.933 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 433 11.111 -4.368 -6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.857 -4.220 -6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 433 12.882 -5.748 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 433 11.174 -6.023 -4.936 1.00 0.00 H new ATOM 759 N ASN A 434 10.861 -1.164 -4.558 1.00 0.00 N ATOM 760 CA ASN A 434 10.236 0.150 -4.815 1.00 0.00 C ATOM 761 C ASN A 434 8.757 0.033 -5.207 1.00 0.00 C ATOM 762 O ASN A 434 7.974 0.959 -4.992 1.00 0.00 O ATOM 763 CB ASN A 434 11.005 0.921 -5.899 1.00 0.00 C ATOM 764 CG ASN A 434 10.474 2.329 -6.134 1.00 0.00 C ATOM 765 OD1 ASN A 434 9.945 2.970 -5.226 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.621 2.821 -7.356 1.00 0.00 N ATOM 0 H ASN A 434 11.050 -1.332 -3.570 1.00 0.00 H new ATOM 0 HA ASN A 434 10.284 0.703 -3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.056 0.980 -5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 434 10.958 0.362 -6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 434 10.290 3.762 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 434 11.065 2.259 -8.082 1.00 0.00 H new ATOM 773 N GLY A 435 8.358 -1.111 -5.737 1.00 0.00 N ATOM 774 CA GLY A 435 7.037 -1.223 -6.310 1.00 0.00 C ATOM 775 C GLY A 435 6.082 -2.053 -5.487 1.00 0.00 C ATOM 776 O GLY A 435 5.217 -2.705 -6.056 1.00 0.00 O ATOM 0 H GLY A 435 8.922 -1.960 -5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 435 6.620 -0.224 -6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.119 -1.661 -7.305 1.00 0.00 H new ATOM 780 N TRP A 436 6.242 -1.998 -4.156 1.00 0.00 N ATOM 781 CA TRP A 436 5.374 -2.664 -3.191 1.00 0.00 C ATOM 782 C TRP A 436 4.946 -4.074 -3.611 1.00 0.00 C ATOM 783 O TRP A 436 4.115 -4.245 -4.500 1.00 0.00 O ATOM 784 CB TRP A 436 4.158 -1.799 -2.945 1.00 0.00 C ATOM 785 CG TRP A 436 4.470 -0.455 -2.357 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.521 0.733 -3.025 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.766 -0.158 -0.987 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.832 1.750 -2.157 1.00 0.00 N ATOM 789 CE2 TRP A 436 4.987 1.229 -0.899 1.00 0.00 C ATOM 790 CE3 TRP A 436 4.864 -0.927 0.175 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.298 1.860 0.302 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.176 -0.300 1.365 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.389 1.081 1.421 1.00 0.00 C ATOM 0 H TRP A 436 6.999 -1.474 -3.717 1.00 0.00 H new ATOM 0 HA TRP A 436 5.952 -2.792 -2.276 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.630 -1.657 -3.888 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.479 -2.327 -2.276 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.343 0.856 -4.083 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.932 2.734 -2.408 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.699 -1.994 0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.461 2.927 0.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.257 -0.886 2.268 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.630 1.541 2.368 1.00 0.00 H new ATOM 804 N SER A 437 5.452 -5.064 -2.887 1.00 0.00 N ATOM 805 CA SER A 437 5.286 -6.475 -3.225 1.00 0.00 C ATOM 806 C SER A 437 3.881 -6.825 -3.740 1.00 0.00 C ATOM 807 O SER A 437 3.746 -7.281 -4.877 1.00 0.00 O ATOM 808 CB SER A 437 5.623 -7.327 -2.004 1.00 0.00 C ATOM 809 OG SER A 437 6.969 -7.236 -1.662 1.00 0.00 O ATOM 0 H SER A 437 5.996 -4.910 -2.038 1.00 0.00 H new ATOM 0 HA SER A 437 5.970 -6.688 -4.046 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.012 -7.009 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.370 -8.368 -2.207 1.00 0.00 H new ATOM 0 HG SER A 437 7.445 -8.025 -1.995 1.00 0.00 H new ATOM 815 N PRO A 438 2.812 -6.618 -2.941 1.00 0.00 N ATOM 816 CA PRO A 438 1.468 -7.009 -3.343 1.00 0.00 C ATOM 817 C PRO A 438 0.740 -5.916 -4.122 1.00 0.00 C ATOM 818 O PRO A 438 -0.349 -6.134 -4.655 1.00 0.00 O ATOM 819 CB PRO A 438 0.808 -7.268 -2.000 1.00 0.00 C ATOM 820 CG PRO A 438 1.408 -6.254 -1.089 1.00 0.00 C ATOM 821 CD PRO A 438 2.810 -6.014 -1.589 1.00 0.00 C ATOM 0 HA PRO A 438 1.456 -7.861 -4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.274 -7.156 -2.061 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.004 -8.282 -1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 438 0.828 -5.331 -1.099 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.418 -6.613 -0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.045 -4.950 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.551 -6.482 -0.941 1.00 0.00 H new ATOM 829 N THR A 439 1.381 -4.750 -4.183 1.00 0.00 N ATOM 830 CA THR A 439 0.876 -3.583 -4.906 1.00 0.00 C ATOM 831 C THR A 439 -0.325 -2.932 -4.207 1.00 0.00 C ATOM 832 O THR A 439 -1.389 -3.534 -4.075 1.00 0.00 O ATOM 833 CB THR A 439 0.502 -3.939 -6.360 1.00 0.00 C ATOM 834 OG1 THR A 439 1.633 -4.532 -7.019 1.00 0.00 O ATOM 835 CG2 THR A 439 0.058 -2.704 -7.131 1.00 0.00 C ATOM 0 H THR A 439 2.278 -4.587 -3.726 1.00 0.00 H new ATOM 0 HA THR A 439 1.691 -2.859 -4.915 1.00 0.00 H new ATOM 0 HB THR A 439 -0.327 -4.646 -6.334 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.392 -4.759 -7.942 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.199 -2.986 -8.152 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.814 -2.266 -6.645 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.868 -1.975 -7.149 1.00 0.00 H new ATOM 843 N PRO A 440 -0.160 -1.679 -3.754 1.00 0.00 N ATOM 844 CA PRO A 440 -1.241 -0.907 -3.151 1.00 0.00 C ATOM 845 C PRO A 440 -2.142 -0.294 -4.222 1.00 0.00 C ATOM 846 O PRO A 440 -1.734 0.617 -4.943 1.00 0.00 O ATOM 847 CB PRO A 440 -0.503 0.177 -2.367 1.00 0.00 C ATOM 848 CG PRO A 440 0.786 0.377 -3.092 1.00 0.00 C ATOM 849 CD PRO A 440 1.098 -0.915 -3.808 1.00 0.00 C ATOM 0 HA PRO A 440 -1.900 -1.511 -2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.082 1.100 -2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.331 -0.131 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.705 1.201 -3.801 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.584 0.634 -2.395 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.408 -0.734 -4.837 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.911 -1.453 -3.320 1.00 0.00 H new ATOM 857 N ARG A 441 -3.359 -0.806 -4.338 1.00 0.00 N ATOM 858 CA ARG A 441 -4.266 -0.354 -5.390 1.00 0.00 C ATOM 859 C ARG A 441 -5.730 -0.397 -4.956 1.00 0.00 C ATOM 860 O ARG A 441 -6.579 0.201 -5.617 1.00 0.00 O ATOM 861 CB ARG A 441 -4.072 -1.198 -6.652 1.00 0.00 C ATOM 862 CG ARG A 441 -4.112 -2.696 -6.401 1.00 0.00 C ATOM 863 CD ARG A 441 -4.012 -3.480 -7.697 1.00 0.00 C ATOM 864 NE ARG A 441 -5.200 -3.317 -8.530 1.00 0.00 N ATOM 865 CZ ARG A 441 -5.271 -3.682 -9.809 1.00 0.00 C ATOM 866 NH1 ARG A 441 -4.186 -4.110 -10.446 1.00 0.00 N ATOM 867 NH2 ARG A 441 -6.420 -3.583 -10.461 1.00 0.00 N ATOM 0 H ARG A 441 -3.741 -1.527 -3.725 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.019 0.687 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.847 -0.939 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.115 -0.941 -7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.292 -2.977 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -5.038 -2.955 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.133 -3.152 -8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.870 -4.537 -7.471 1.00 0.00 H new ATOM 0 HE ARG A 441 -6.027 -2.897 -8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.293 -4.160 -9.955 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -4.246 -4.388 -11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -7.248 -3.228 -9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -6.476 -3.862 -11.440 1.00 0.00 H new ATOM 881 N CYS A 442 -6.022 -1.093 -3.860 1.00 0.00 N ATOM 882 CA CYS A 442 -7.387 -1.176 -3.326 1.00 0.00 C ATOM 883 C CYS A 442 -8.373 -1.715 -4.365 1.00 0.00 C ATOM 884 O CYS A 442 -9.060 -0.949 -5.044 1.00 0.00 O ATOM 885 CB CYS A 442 -7.859 0.197 -2.832 1.00 0.00 C ATOM 886 SG CYS A 442 -6.772 0.959 -1.583 1.00 0.00 S ATOM 0 H CYS A 442 -5.330 -1.612 -3.319 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.361 -1.873 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -7.939 0.870 -3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -8.860 0.095 -2.412 1.00 0.00 H new ATOM 891 N ILE A 443 -8.435 -3.034 -4.483 1.00 0.00 N ATOM 892 CA ILE A 443 -9.379 -3.681 -5.384 1.00 0.00 C ATOM 893 C ILE A 443 -10.709 -3.850 -4.666 1.00 0.00 C ATOM 894 O ILE A 443 -10.757 -3.861 -3.435 1.00 0.00 O ATOM 895 CB ILE A 443 -8.876 -5.067 -5.840 1.00 0.00 C ATOM 896 CG1 ILE A 443 -7.383 -5.009 -6.159 1.00 0.00 C ATOM 897 CG2 ILE A 443 -9.653 -5.544 -7.062 1.00 0.00 C ATOM 898 CD1 ILE A 443 -6.781 -6.352 -6.520 1.00 0.00 C ATOM 0 H ILE A 443 -7.840 -3.680 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.490 -3.053 -6.268 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.037 -5.775 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.224 -4.317 -6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -6.853 -4.604 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -9.284 -6.523 -7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -10.712 -5.617 -6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -9.519 -4.834 -7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -5.719 -6.229 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -6.906 -7.043 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.284 -6.751 -7.401 1.00 0.00 H new ATOM 910 N ARG A 444 -11.779 -3.988 -5.422 1.00 0.00 N ATOM 911 CA ARG A 444 -13.099 -4.048 -4.839 1.00 0.00 C ATOM 912 C ARG A 444 -13.462 -5.460 -4.442 1.00 0.00 C ATOM 913 O ARG A 444 -13.756 -6.323 -5.271 1.00 0.00 O ATOM 914 CB ARG A 444 -14.142 -3.446 -5.774 1.00 0.00 C ATOM 915 CG ARG A 444 -15.534 -3.466 -5.184 1.00 0.00 C ATOM 916 CD ARG A 444 -16.425 -2.409 -5.808 1.00 0.00 C ATOM 917 NE ARG A 444 -16.684 -2.654 -7.223 1.00 0.00 N ATOM 918 CZ ARG A 444 -16.812 -1.684 -8.127 1.00 0.00 C ATOM 919 NH1 ARG A 444 -16.608 -0.416 -7.788 1.00 0.00 N ATOM 920 NH2 ARG A 444 -17.133 -1.982 -9.375 1.00 0.00 N ATOM 0 H ARG A 444 -11.758 -4.060 -6.439 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.086 -3.447 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -13.865 -2.418 -6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.142 -3.997 -6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.978 -4.450 -5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.475 -3.303 -4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.372 -2.375 -5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -15.957 -1.431 -5.692 1.00 0.00 H new ATOM 0 HE ARG A 444 -16.772 -3.621 -7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -16.351 -0.179 -6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -16.708 0.321 -8.486 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -17.282 -2.954 -9.645 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -17.231 -1.240 -10.068 1.00 0.00 H new ATOM 934 N VAL A 445 -13.423 -5.654 -3.147 1.00 0.00 N ATOM 935 CA VAL A 445 -13.761 -6.903 -2.508 1.00 0.00 C ATOM 936 C VAL A 445 -15.266 -7.117 -2.532 1.00 0.00 C ATOM 937 O VAL A 445 -15.744 -8.236 -2.735 1.00 0.00 O ATOM 938 CB VAL A 445 -13.308 -6.855 -1.044 1.00 0.00 C ATOM 939 CG1 VAL A 445 -13.513 -8.194 -0.353 1.00 0.00 C ATOM 940 CG2 VAL A 445 -11.866 -6.399 -0.934 1.00 0.00 C ATOM 0 H VAL A 445 -13.147 -4.926 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.267 -7.715 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 445 -13.932 -6.123 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.181 -8.123 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.570 -8.458 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -12.935 -8.961 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -11.571 -6.374 0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -11.223 -7.093 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -11.766 -5.402 -1.363 1.00 0.00 H new ATOM 950 N LYS A 446 -15.987 -6.011 -2.340 1.00 0.00 N ATOM 951 CA LYS A 446 -17.436 -6.014 -2.156 1.00 0.00 C ATOM 952 C LYS A 446 -17.773 -6.567 -0.778 1.00 0.00 C ATOM 953 O LYS A 446 -18.002 -5.757 0.143 1.00 0.00 O ATOM 954 CB LYS A 446 -18.154 -6.809 -3.254 1.00 0.00 C ATOM 955 CG LYS A 446 -19.674 -6.762 -3.154 1.00 0.00 C ATOM 956 CD LYS A 446 -20.210 -5.345 -3.315 1.00 0.00 C ATOM 957 CE LYS A 446 -19.909 -4.780 -4.695 1.00 0.00 C ATOM 958 NZ LYS A 446 -20.593 -5.537 -5.776 1.00 0.00 N ATOM 959 OXT LYS A 446 -17.773 -7.802 -0.607 1.00 0.00 O ATOM 0 H LYS A 446 -15.575 -5.079 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 446 -17.790 -4.986 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -17.851 -6.422 -4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -17.828 -7.848 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -20.108 -7.404 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -19.987 -7.161 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -21.287 -5.343 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -19.769 -4.701 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -20.219 -3.736 -4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -18.833 -4.799 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -20.499 -5.021 -6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -20.159 -6.477 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -21.601 -5.643 -5.542 1.00 0.00 H new TER 973 LYS A 446