USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 480 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 427 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 428 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 398 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 417 HIS : no HE2:sc= 0.418 K(o=0.42,f=-4.7!) USER MOD Set 3.1: A 400 GLN : amide:sc= -0.394 X(o=-4,f=-3.7) USER MOD Set 3.2: A 401 ASN : amide:sc= -3.58! C(o=-4!,f=-6.3!) USER MOD Set 4.1: A 396 ASN : amide:sc= 0.375 X(o=0.65,f=0.48) USER MOD Set 4.2: A 420 TYR OH : rot 180:sc= 0.28 USER MOD Single : A 388 LYS NZ :NH3+ -128:sc= -0.391 (180deg=-1.94!) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -1.16 K(o=-1.2,f=-6.3!) USER MOD Single : A 402 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-2.7!) USER MOD Single : A 405 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0499) USER MOD Single : A 408 GLN :FLIP amide:sc= -3.15! C(o=-6.7!,f=-3.1!) USER MOD Single : A 410 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0517) USER MOD Single : A 411 SER OG : rot 180:sc= -1.91! USER MOD Single : A 424 LYS NZ :NH3+ 167:sc= -0.029 (180deg=-0.25) USER MOD Single : A 426 GLN :FLIP amide:sc= -0.0209 F(o=-1.2,f=-0.021) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -138:sc= -0.145 (180deg=-0.733) USER MOD Single : A 434 ASN : amide:sc= 0.109 K(o=0.11,f=-4.2!) USER MOD Single : A 437 SER OG : rot 78:sc= 1.01 USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 17.102 -1.510 -5.996 1.00 0.00 N ATOM 2 CA LEU A 386 15.660 -1.441 -6.105 1.00 0.00 C ATOM 3 C LEU A 386 15.009 -1.165 -4.754 1.00 0.00 C ATOM 4 O LEU A 386 13.942 -0.560 -4.703 1.00 0.00 O ATOM 5 CB LEU A 386 15.122 -2.743 -6.693 1.00 0.00 C ATOM 6 CG LEU A 386 15.272 -2.871 -8.209 1.00 0.00 C ATOM 7 CD1 LEU A 386 16.729 -2.967 -8.611 1.00 0.00 C ATOM 8 CD2 LEU A 386 14.487 -4.061 -8.732 1.00 0.00 C ATOM 0 HA LEU A 386 15.411 -0.613 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 386 15.636 -3.579 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 386 14.066 -2.832 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 386 14.862 -1.968 -8.661 1.00 0.00 H new ATOM 0 HD11 LEU A 386 16.802 -3.057 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 386 17.256 -2.070 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 386 17.179 -3.843 -8.143 1.00 0.00 H new ATOM 0 HD21 LEU A 386 14.609 -4.131 -9.813 1.00 0.00 H new ATOM 0 HD22 LEU A 386 14.856 -4.974 -8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 386 13.431 -3.933 -8.494 1.00 0.00 H new ATOM 20 N ARG A 387 15.659 -1.656 -3.685 1.00 0.00 N ATOM 21 CA ARG A 387 15.277 -1.418 -2.292 1.00 0.00 C ATOM 22 C ARG A 387 14.814 0.014 -2.013 1.00 0.00 C ATOM 23 O ARG A 387 15.574 0.845 -1.513 1.00 0.00 O ATOM 24 CB ARG A 387 16.447 -1.769 -1.358 1.00 0.00 C ATOM 25 CG ARG A 387 17.815 -1.756 -2.022 1.00 0.00 C ATOM 26 CD ARG A 387 18.246 -3.154 -2.457 1.00 0.00 C ATOM 27 NE ARG A 387 18.599 -4.005 -1.323 1.00 0.00 N ATOM 28 CZ ARG A 387 18.501 -5.336 -1.330 1.00 0.00 C ATOM 29 NH1 ARG A 387 17.985 -5.970 -2.376 1.00 0.00 N ATOM 30 NH2 ARG A 387 18.895 -6.033 -0.275 1.00 0.00 N ATOM 0 H ARG A 387 16.487 -2.245 -3.774 1.00 0.00 H new ATOM 0 HA ARG A 387 14.422 -2.066 -2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 387 16.455 -1.064 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 387 16.273 -2.758 -0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 387 17.792 -1.096 -2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 387 18.551 -1.347 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 387 17.439 -3.621 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 387 19.101 -3.075 -3.129 1.00 0.00 H new ATOM 0 HE ARG A 387 18.941 -3.554 -0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 387 17.659 -5.440 -3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 387 17.914 -6.988 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 387 19.273 -5.553 0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 387 18.821 -7.050 -0.279 1.00 0.00 H new ATOM 44 N LYS A 388 13.560 0.270 -2.346 1.00 0.00 N ATOM 45 CA LYS A 388 12.885 1.513 -2.061 1.00 0.00 C ATOM 46 C LYS A 388 11.434 1.350 -2.471 1.00 0.00 C ATOM 47 O LYS A 388 11.102 0.424 -3.211 1.00 0.00 O ATOM 48 CB LYS A 388 13.536 2.654 -2.827 1.00 0.00 C ATOM 49 CG LYS A 388 13.057 4.034 -2.419 1.00 0.00 C ATOM 50 CD LYS A 388 13.873 5.131 -3.078 1.00 0.00 C ATOM 51 CE LYS A 388 13.735 5.123 -4.596 1.00 0.00 C ATOM 52 NZ LYS A 388 14.686 4.189 -5.260 1.00 0.00 N ATOM 0 H LYS A 388 12.972 -0.404 -2.836 1.00 0.00 H new ATOM 0 HA LYS A 388 12.951 1.752 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.616 2.601 -2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.346 2.516 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 388 12.007 4.149 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 388 13.120 4.135 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 388 13.555 6.099 -2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 388 14.923 5.010 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 388 12.715 4.844 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 388 13.899 6.131 -4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 15.207 4.695 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 15.357 3.819 -4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 14.158 3.399 -5.683 1.00 0.00 H new ATOM 66 N CYS A 389 10.578 2.216 -1.990 1.00 0.00 N ATOM 67 CA CYS A 389 9.154 2.093 -2.258 1.00 0.00 C ATOM 68 C CYS A 389 8.463 3.445 -2.151 1.00 0.00 C ATOM 69 O CYS A 389 8.700 4.204 -1.214 1.00 0.00 O ATOM 70 CB CYS A 389 8.544 1.082 -1.282 1.00 0.00 C ATOM 71 SG CYS A 389 9.328 1.141 0.358 1.00 0.00 S ATOM 0 H CYS A 389 10.835 3.015 -1.411 1.00 0.00 H new ATOM 0 HA CYS A 389 9.009 1.735 -3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 389 7.477 1.279 -1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.644 0.078 -1.694 1.00 0.00 H new ATOM 76 N TYR A 390 7.641 3.754 -3.142 1.00 0.00 N ATOM 77 CA TYR A 390 6.870 4.989 -3.156 1.00 0.00 C ATOM 78 C TYR A 390 5.394 4.673 -2.965 1.00 0.00 C ATOM 79 O TYR A 390 4.833 3.860 -3.697 1.00 0.00 O ATOM 80 CB TYR A 390 7.086 5.738 -4.479 1.00 0.00 C ATOM 81 CG TYR A 390 6.087 6.853 -4.730 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.215 8.087 -4.107 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.013 6.663 -5.593 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.298 9.098 -4.334 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.096 7.669 -5.826 1.00 0.00 C ATOM 86 CZ TYR A 390 4.241 8.882 -5.194 1.00 0.00 C ATOM 87 OH TYR A 390 3.320 9.882 -5.415 1.00 0.00 O ATOM 0 H TYR A 390 7.489 3.159 -3.956 1.00 0.00 H new ATOM 0 HA TYR A 390 7.207 5.628 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.092 6.158 -4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.032 5.024 -5.301 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.043 8.260 -3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.894 5.712 -6.090 1.00 0.00 H new ATOM 0 HE1 TYR A 390 5.409 10.052 -3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.269 7.504 -6.501 1.00 0.00 H new ATOM 0 HH TYR A 390 2.641 9.567 -6.047 1.00 0.00 H new ATOM 97 N PHE A 391 4.776 5.299 -1.975 1.00 0.00 N ATOM 98 CA PHE A 391 3.361 5.086 -1.714 1.00 0.00 C ATOM 99 C PHE A 391 2.525 5.936 -2.673 1.00 0.00 C ATOM 100 O PHE A 391 2.476 7.164 -2.548 1.00 0.00 O ATOM 101 CB PHE A 391 3.029 5.427 -0.260 1.00 0.00 C ATOM 102 CG PHE A 391 1.711 4.873 0.207 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.523 5.532 -0.068 1.00 0.00 C ATOM 104 CD2 PHE A 391 1.662 3.690 0.925 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.687 5.024 0.364 1.00 0.00 C ATOM 106 CE2 PHE A 391 0.455 3.176 1.361 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.721 3.845 1.079 1.00 0.00 C ATOM 0 H PHE A 391 5.230 5.956 -1.341 1.00 0.00 H new ATOM 0 HA PHE A 391 3.123 4.035 -1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 391 3.822 5.045 0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.019 6.511 -0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.543 6.455 -0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 391 2.578 3.162 1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.604 5.549 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 391 0.431 2.253 1.921 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.665 3.445 1.418 1.00 0.00 H new ATOM 117 N PRO A 392 1.861 5.283 -3.639 1.00 0.00 N ATOM 118 CA PRO A 392 1.122 5.958 -4.707 1.00 0.00 C ATOM 119 C PRO A 392 -0.264 6.412 -4.280 1.00 0.00 C ATOM 120 O PRO A 392 -0.660 6.283 -3.121 1.00 0.00 O ATOM 121 CB PRO A 392 1.019 4.869 -5.774 1.00 0.00 C ATOM 122 CG PRO A 392 0.944 3.598 -5.003 1.00 0.00 C ATOM 123 CD PRO A 392 1.769 3.812 -3.759 1.00 0.00 C ATOM 0 HA PRO A 392 1.618 6.872 -5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.136 5.007 -6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.884 4.880 -6.438 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -0.088 3.357 -4.749 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.331 2.764 -5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.294 3.369 -2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.755 3.357 -3.851 1.00 0.00 H new ATOM 131 N TYR A 393 -0.984 6.967 -5.230 1.00 0.00 N ATOM 132 CA TYR A 393 -2.326 7.443 -4.995 1.00 0.00 C ATOM 133 C TYR A 393 -3.340 6.382 -5.393 1.00 0.00 C ATOM 134 O TYR A 393 -3.637 6.200 -6.577 1.00 0.00 O ATOM 135 CB TYR A 393 -2.562 8.727 -5.782 1.00 0.00 C ATOM 136 CG TYR A 393 -3.975 9.263 -5.691 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.451 9.812 -4.509 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.833 9.217 -6.784 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.737 10.301 -4.415 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.124 9.706 -6.699 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.571 10.248 -5.511 1.00 0.00 C ATOM 142 OH TYR A 393 -7.855 10.736 -5.414 1.00 0.00 O ATOM 0 H TYR A 393 -0.654 7.100 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.448 7.652 -3.932 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.872 9.491 -5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.321 8.547 -6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.802 9.857 -3.647 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.486 8.793 -7.714 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.089 10.724 -3.486 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.778 9.664 -7.557 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.313 10.626 -6.274 1.00 0.00 H new ATOM 152 N LEU A 394 -3.841 5.667 -4.402 1.00 0.00 N ATOM 153 CA LEU A 394 -4.884 4.683 -4.624 1.00 0.00 C ATOM 154 C LEU A 394 -6.194 5.403 -4.892 1.00 0.00 C ATOM 155 O LEU A 394 -6.560 6.313 -4.141 1.00 0.00 O ATOM 156 CB LEU A 394 -5.031 3.747 -3.415 1.00 0.00 C ATOM 157 CG LEU A 394 -3.857 2.785 -3.154 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.600 3.533 -2.731 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.239 1.765 -2.095 1.00 0.00 C ATOM 0 H LEU A 394 -3.540 5.750 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.614 4.071 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.178 4.358 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -5.936 3.155 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 394 -3.639 2.269 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -1.794 2.820 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.307 4.226 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.798 4.089 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.401 1.091 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.490 2.280 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.101 1.191 -2.437 1.00 0.00 H new ATOM 171 N GLU A 395 -6.872 5.019 -5.970 1.00 0.00 N ATOM 172 CA GLU A 395 -8.056 5.732 -6.442 1.00 0.00 C ATOM 173 C GLU A 395 -9.039 6.010 -5.310 1.00 0.00 C ATOM 174 O GLU A 395 -9.322 7.168 -4.993 1.00 0.00 O ATOM 175 CB GLU A 395 -8.746 4.936 -7.552 1.00 0.00 C ATOM 176 CG GLU A 395 -9.910 5.677 -8.187 1.00 0.00 C ATOM 177 CD GLU A 395 -10.569 4.892 -9.298 1.00 0.00 C ATOM 178 OE1 GLU A 395 -10.148 5.029 -10.460 1.00 0.00 O ATOM 179 OE2 GLU A 395 -11.522 4.132 -9.015 1.00 0.00 O ATOM 0 H GLU A 395 -6.619 4.210 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.725 6.692 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.015 4.692 -8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.105 3.992 -7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -10.651 5.905 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -9.556 6.629 -8.582 1.00 0.00 H new ATOM 186 N ASN A 396 -9.538 4.953 -4.689 1.00 0.00 N ATOM 187 CA ASN A 396 -10.510 5.097 -3.617 1.00 0.00 C ATOM 188 C ASN A 396 -9.918 4.663 -2.281 1.00 0.00 C ATOM 189 O ASN A 396 -10.509 3.864 -1.549 1.00 0.00 O ATOM 190 CB ASN A 396 -11.782 4.299 -3.924 1.00 0.00 C ATOM 191 CG ASN A 396 -12.597 4.909 -5.051 1.00 0.00 C ATOM 192 OD1 ASN A 396 -12.581 6.125 -5.258 1.00 0.00 O ATOM 193 ND2 ASN A 396 -13.329 4.077 -5.775 1.00 0.00 N ATOM 0 H ASN A 396 -9.287 3.989 -4.908 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.775 6.152 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -11.510 3.277 -4.189 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.397 4.242 -3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -13.907 4.436 -6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -13.315 3.077 -5.573 1.00 0.00 H new ATOM 200 N GLY A 397 -8.752 5.196 -1.957 1.00 0.00 N ATOM 201 CA GLY A 397 -8.140 4.909 -0.679 1.00 0.00 C ATOM 202 C GLY A 397 -7.824 6.180 0.082 1.00 0.00 C ATOM 203 O GLY A 397 -7.769 7.258 -0.508 1.00 0.00 O ATOM 0 H GLY A 397 -8.217 5.824 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.809 4.285 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.224 4.338 -0.833 1.00 0.00 H new ATOM 207 N TYR A 398 -7.627 6.068 1.389 1.00 0.00 N ATOM 208 CA TYR A 398 -7.346 7.240 2.212 1.00 0.00 C ATOM 209 C TYR A 398 -5.894 7.676 2.050 1.00 0.00 C ATOM 210 O TYR A 398 -5.581 8.858 2.200 1.00 0.00 O ATOM 211 CB TYR A 398 -7.656 6.954 3.684 1.00 0.00 C ATOM 212 CG TYR A 398 -9.114 6.637 3.942 1.00 0.00 C ATOM 213 CD1 TYR A 398 -10.075 7.641 3.938 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.530 5.332 4.176 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.408 7.352 4.162 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.861 5.035 4.396 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.795 6.048 4.390 1.00 0.00 C ATOM 218 OH TYR A 398 -13.124 5.755 4.593 1.00 0.00 O ATOM 0 H TYR A 398 -7.656 5.186 1.900 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.990 8.053 1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.045 6.116 4.020 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.369 7.818 4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.776 8.663 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.800 4.536 4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -12.143 8.143 4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.168 4.015 4.572 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.679 6.397 4.103 1.00 0.00 H new ATOM 228 N ASN A 399 -5.033 6.717 1.713 1.00 0.00 N ATOM 229 CA ASN A 399 -3.616 6.975 1.431 1.00 0.00 C ATOM 230 C ASN A 399 -3.001 7.895 2.473 1.00 0.00 C ATOM 231 O ASN A 399 -2.557 9.001 2.158 1.00 0.00 O ATOM 232 CB ASN A 399 -3.427 7.597 0.044 1.00 0.00 C ATOM 233 CG ASN A 399 -4.261 6.924 -1.028 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.519 5.724 -0.971 1.00 0.00 O ATOM 235 ND2 ASN A 399 -4.689 7.697 -2.013 1.00 0.00 N ATOM 0 H ASN A 399 -5.296 5.735 1.627 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.111 6.010 1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.687 8.655 0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.374 7.539 -0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.256 7.301 -2.763 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -4.452 8.689 -2.022 1.00 0.00 H new ATOM 242 N GLN A 400 -2.980 7.433 3.713 1.00 0.00 N ATOM 243 CA GLN A 400 -2.417 8.201 4.818 1.00 0.00 C ATOM 244 C GLN A 400 -0.905 8.387 4.658 1.00 0.00 C ATOM 245 O GLN A 400 -0.273 9.095 5.436 1.00 0.00 O ATOM 246 CB GLN A 400 -2.721 7.502 6.141 1.00 0.00 C ATOM 247 CG GLN A 400 -2.303 6.048 6.137 1.00 0.00 C ATOM 248 CD GLN A 400 -2.315 5.407 7.511 1.00 0.00 C ATOM 249 OE1 GLN A 400 -3.110 5.767 8.382 1.00 0.00 O ATOM 250 NE2 GLN A 400 -1.425 4.449 7.711 1.00 0.00 N ATOM 0 H GLN A 400 -3.349 6.522 3.983 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.877 9.189 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.207 8.022 6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -3.789 7.569 6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -2.969 5.489 5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -1.300 5.968 5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -0.786 4.182 6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -1.378 3.977 8.614 1.00 0.00 H new ATOM 259 N ASN A 401 -0.332 7.736 3.651 1.00 0.00 N ATOM 260 CA ASN A 401 1.094 7.836 3.381 1.00 0.00 C ATOM 261 C ASN A 401 1.337 8.248 1.934 1.00 0.00 C ATOM 262 O ASN A 401 2.425 8.035 1.402 1.00 0.00 O ATOM 263 CB ASN A 401 1.779 6.491 3.647 1.00 0.00 C ATOM 264 CG ASN A 401 1.436 5.912 4.996 1.00 0.00 C ATOM 265 OD1 ASN A 401 0.426 5.229 5.148 1.00 0.00 O ATOM 266 ND2 ASN A 401 2.273 6.160 5.976 1.00 0.00 N ATOM 0 H ASN A 401 -0.839 7.130 3.006 1.00 0.00 H new ATOM 0 HA ASN A 401 1.513 8.594 4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.491 5.783 2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.859 6.619 3.577 1.00 0.00 H new ATOM 0 HD21 ASN A 401 2.096 5.781 6.906 1.00 0.00 H new ATOM 0 HD22 ASN A 401 3.100 6.732 5.808 1.00 0.00 H new ATOM 273 N HIS A 402 0.319 8.824 1.293 1.00 0.00 N ATOM 274 CA HIS A 402 0.425 9.227 -0.110 1.00 0.00 C ATOM 275 C HIS A 402 1.634 10.128 -0.353 1.00 0.00 C ATOM 276 O HIS A 402 1.810 11.145 0.317 1.00 0.00 O ATOM 277 CB HIS A 402 -0.849 9.951 -0.558 1.00 0.00 C ATOM 278 CG HIS A 402 -0.770 10.507 -1.951 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.944 11.842 -2.238 1.00 0.00 N ATOM 280 CD2 HIS A 402 -0.530 9.900 -3.136 1.00 0.00 C ATOM 281 CE1 HIS A 402 -0.817 12.031 -3.538 1.00 0.00 C ATOM 282 NE2 HIS A 402 -0.565 10.869 -4.105 1.00 0.00 N ATOM 0 H HIS A 402 -0.585 9.021 1.721 1.00 0.00 H new ATOM 0 HA HIS A 402 0.555 8.317 -0.696 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.689 9.259 -0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -1.057 10.764 0.137 1.00 0.00 H new ATOM 0 HD1 HIS A 402 -1.140 12.572 -1.553 1.00 0.00 H new ATOM 0 HD2 HIS A 402 -0.345 8.847 -3.290 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -0.905 12.978 -4.050 1.00 0.00 H new ATOM 291 N GLY A 403 2.458 9.738 -1.320 1.00 0.00 N ATOM 292 CA GLY A 403 3.560 10.576 -1.745 1.00 0.00 C ATOM 293 C GLY A 403 4.785 10.432 -0.868 1.00 0.00 C ATOM 294 O GLY A 403 5.676 11.283 -0.890 1.00 0.00 O ATOM 0 H GLY A 403 2.380 8.851 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 403 3.824 10.326 -2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.239 11.618 -1.743 1.00 0.00 H new ATOM 298 N ARG A 404 4.834 9.360 -0.094 1.00 0.00 N ATOM 299 CA ARG A 404 5.955 9.119 0.805 1.00 0.00 C ATOM 300 C ARG A 404 6.803 7.958 0.312 1.00 0.00 C ATOM 301 O ARG A 404 6.341 7.130 -0.476 1.00 0.00 O ATOM 302 CB ARG A 404 5.444 8.837 2.214 1.00 0.00 C ATOM 303 CG ARG A 404 4.688 10.008 2.808 1.00 0.00 C ATOM 304 CD ARG A 404 4.028 9.644 4.123 1.00 0.00 C ATOM 305 NE ARG A 404 3.100 10.683 4.565 1.00 0.00 N ATOM 306 CZ ARG A 404 2.471 10.670 5.738 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.753 9.733 6.633 1.00 0.00 N ATOM 308 NH2 ARG A 404 1.576 11.607 6.027 1.00 0.00 N ATOM 0 H ARG A 404 4.111 8.641 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 404 6.579 10.013 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.793 7.963 2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.287 8.590 2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.373 10.841 2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.929 10.346 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.493 8.700 4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.793 9.491 4.884 1.00 0.00 H new ATOM 0 HE ARG A 404 2.923 11.466 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.453 9.021 6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.270 9.724 7.532 1.00 0.00 H new ATOM 0 HH21 ARG A 404 1.368 12.340 5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.096 11.594 6.927 1.00 0.00 H new ATOM 322 N LYS A 405 8.039 7.905 0.780 1.00 0.00 N ATOM 323 CA LYS A 405 8.970 6.871 0.365 1.00 0.00 C ATOM 324 C LYS A 405 9.435 6.041 1.553 1.00 0.00 C ATOM 325 O LYS A 405 9.530 6.533 2.678 1.00 0.00 O ATOM 326 CB LYS A 405 10.183 7.481 -0.337 1.00 0.00 C ATOM 327 CG LYS A 405 9.856 8.160 -1.654 1.00 0.00 C ATOM 328 CD LYS A 405 11.119 8.606 -2.373 1.00 0.00 C ATOM 329 CE LYS A 405 10.806 9.263 -3.706 1.00 0.00 C ATOM 330 NZ LYS A 405 10.105 10.563 -3.538 1.00 0.00 N ATOM 0 H LYS A 405 8.422 8.571 1.451 1.00 0.00 H new ATOM 0 HA LYS A 405 8.443 6.220 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.648 8.208 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.918 6.697 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.296 7.475 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.215 9.022 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.668 9.306 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.768 7.746 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 405 11.732 9.420 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 405 10.188 8.593 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 10.017 11.032 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 9.158 10.398 -3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 10.650 11.170 -2.893 1.00 0.00 H new ATOM 344 N PHE A 406 9.722 4.783 1.286 1.00 0.00 N ATOM 345 CA PHE A 406 10.209 3.853 2.294 1.00 0.00 C ATOM 346 C PHE A 406 11.377 3.058 1.720 1.00 0.00 C ATOM 347 O PHE A 406 11.772 3.271 0.570 1.00 0.00 O ATOM 348 CB PHE A 406 9.074 2.916 2.729 1.00 0.00 C ATOM 349 CG PHE A 406 7.951 3.625 3.444 1.00 0.00 C ATOM 350 CD1 PHE A 406 8.008 3.855 4.810 1.00 0.00 C ATOM 351 CD2 PHE A 406 6.843 4.081 2.739 1.00 0.00 C ATOM 352 CE1 PHE A 406 6.984 4.524 5.457 1.00 0.00 C ATOM 353 CE2 PHE A 406 5.820 4.753 3.381 1.00 0.00 C ATOM 354 CZ PHE A 406 5.890 4.974 4.742 1.00 0.00 C ATOM 0 H PHE A 406 9.624 4.371 0.358 1.00 0.00 H new ATOM 0 HA PHE A 406 10.553 4.403 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.673 2.411 1.850 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.481 2.144 3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 406 8.861 3.508 5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.781 3.908 1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 406 7.040 4.695 6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 406 4.967 5.105 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 406 5.092 5.497 5.247 1.00 0.00 H new ATOM 364 N VAL A 407 11.918 2.145 2.508 1.00 0.00 N ATOM 365 CA VAL A 407 13.049 1.337 2.075 1.00 0.00 C ATOM 366 C VAL A 407 12.670 -0.143 2.108 1.00 0.00 C ATOM 367 O VAL A 407 11.730 -0.525 2.806 1.00 0.00 O ATOM 368 CB VAL A 407 14.287 1.597 2.971 1.00 0.00 C ATOM 369 CG1 VAL A 407 14.075 1.054 4.378 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.551 1.022 2.343 1.00 0.00 C ATOM 0 H VAL A 407 11.593 1.943 3.453 1.00 0.00 H new ATOM 0 HA VAL A 407 13.307 1.617 1.054 1.00 0.00 H new ATOM 0 HB VAL A 407 14.417 2.676 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.961 1.252 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 407 13.211 1.542 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.901 -0.021 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.403 1.220 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.436 -0.054 2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.720 1.489 1.373 1.00 0.00 H new ATOM 380 N GLN A 408 13.383 -0.965 1.337 1.00 0.00 N ATOM 381 CA GLN A 408 13.129 -2.403 1.305 1.00 0.00 C ATOM 382 C GLN A 408 13.154 -2.973 2.721 1.00 0.00 C ATOM 383 O GLN A 408 14.142 -2.830 3.445 1.00 0.00 O ATOM 384 CB GLN A 408 14.164 -3.123 0.430 1.00 0.00 C ATOM 385 CG GLN A 408 13.992 -4.635 0.405 1.00 0.00 C ATOM 386 CD GLN A 408 14.866 -5.322 -0.624 1.00 0.00 C ATOM 387 OE1 GLN A 408 15.070 -4.665 -1.753 1.00 0.00 O flip ATOM 388 NE2 GLN A 408 15.324 -6.447 -0.421 1.00 0.00 N flip ATOM 0 H GLN A 408 14.141 -0.658 0.727 1.00 0.00 H new ATOM 0 HA GLN A 408 12.142 -2.565 0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.096 -2.741 -0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.164 -2.885 0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 408 14.222 -5.036 1.392 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.948 -4.871 0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 408 15.143 -6.919 0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.885 -6.907 -1.139 1.00 0.00 H new ATOM 397 N GLY A 409 12.060 -3.608 3.106 1.00 0.00 N ATOM 398 CA GLY A 409 11.927 -4.111 4.455 1.00 0.00 C ATOM 399 C GLY A 409 10.825 -3.406 5.217 1.00 0.00 C ATOM 400 O GLY A 409 10.317 -3.926 6.214 1.00 0.00 O ATOM 0 H GLY A 409 11.256 -3.785 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.720 -5.181 4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.872 -3.985 4.984 1.00 0.00 H new ATOM 404 N LYS A 410 10.453 -2.218 4.755 1.00 0.00 N ATOM 405 CA LYS A 410 9.400 -1.449 5.392 1.00 0.00 C ATOM 406 C LYS A 410 8.026 -1.986 5.031 1.00 0.00 C ATOM 407 O LYS A 410 7.815 -2.520 3.942 1.00 0.00 O ATOM 408 CB LYS A 410 9.503 0.025 5.004 1.00 0.00 C ATOM 409 CG LYS A 410 10.602 0.782 5.731 1.00 0.00 C ATOM 410 CD LYS A 410 10.446 0.644 7.232 1.00 0.00 C ATOM 411 CE LYS A 410 11.416 1.528 7.993 1.00 0.00 C ATOM 412 NZ LYS A 410 11.057 2.967 7.894 1.00 0.00 N ATOM 0 H LYS A 410 10.869 -1.769 3.939 1.00 0.00 H new ATOM 0 HA LYS A 410 9.529 -1.543 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.677 0.096 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.548 0.510 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.576 0.401 5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.570 1.835 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.425 0.901 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.604 -0.396 7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.431 1.230 9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 410 12.423 1.379 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 11.661 3.520 8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.198 3.294 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 10.060 3.095 8.161 1.00 0.00 H new ATOM 426 N SER A 411 7.107 -1.850 5.968 1.00 0.00 N ATOM 427 CA SER A 411 5.738 -2.282 5.784 1.00 0.00 C ATOM 428 C SER A 411 4.785 -1.176 6.208 1.00 0.00 C ATOM 429 O SER A 411 5.187 -0.224 6.886 1.00 0.00 O ATOM 430 CB SER A 411 5.483 -3.541 6.608 1.00 0.00 C ATOM 431 OG SER A 411 4.129 -3.960 6.530 1.00 0.00 O ATOM 0 H SER A 411 7.292 -1.435 6.881 1.00 0.00 H new ATOM 0 HA SER A 411 5.569 -2.506 4.731 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.132 -4.343 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.745 -3.353 7.649 1.00 0.00 H new ATOM 0 HG SER A 411 4.005 -4.769 7.069 1.00 0.00 H new ATOM 437 N ILE A 412 3.528 -1.314 5.833 1.00 0.00 N ATOM 438 CA ILE A 412 2.517 -0.315 6.153 1.00 0.00 C ATOM 439 C ILE A 412 1.117 -0.847 5.844 1.00 0.00 C ATOM 440 O ILE A 412 0.897 -1.508 4.827 1.00 0.00 O ATOM 441 CB ILE A 412 2.802 1.023 5.408 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.891 2.150 5.893 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.684 0.858 3.902 1.00 0.00 C ATOM 444 CD1 ILE A 412 0.555 2.185 5.210 1.00 0.00 C ATOM 0 H ILE A 412 3.177 -2.112 5.303 1.00 0.00 H new ATOM 0 HA ILE A 412 2.563 -0.108 7.222 1.00 0.00 H new ATOM 0 HB ILE A 412 3.830 1.299 5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.737 2.044 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 412 2.394 3.104 5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.889 1.811 3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.403 0.113 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.675 0.531 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 412 -0.035 3.011 5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 412 0.698 2.323 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 412 0.031 1.246 5.388 1.00 0.00 H new ATOM 456 N ASP A 413 0.189 -0.579 6.754 1.00 0.00 N ATOM 457 CA ASP A 413 -1.203 -1.000 6.607 1.00 0.00 C ATOM 458 C ASP A 413 -2.026 0.072 5.900 1.00 0.00 C ATOM 459 O ASP A 413 -2.240 1.167 6.426 1.00 0.00 O ATOM 460 CB ASP A 413 -1.833 -1.349 7.969 1.00 0.00 C ATOM 461 CG ASP A 413 -1.692 -0.251 9.015 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.580 0.299 9.177 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.696 0.062 9.693 1.00 0.00 O ATOM 0 H ASP A 413 0.377 -0.065 7.614 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.208 -1.901 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.892 -1.565 7.824 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.371 -2.260 8.349 1.00 0.00 H new ATOM 468 N VAL A 414 -2.487 -0.254 4.703 1.00 0.00 N ATOM 469 CA VAL A 414 -3.216 0.701 3.876 1.00 0.00 C ATOM 470 C VAL A 414 -4.667 0.822 4.305 1.00 0.00 C ATOM 471 O VAL A 414 -5.382 -0.172 4.429 1.00 0.00 O ATOM 472 CB VAL A 414 -3.159 0.328 2.381 1.00 0.00 C ATOM 473 CG1 VAL A 414 -3.978 1.301 1.542 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.722 0.302 1.901 1.00 0.00 C ATOM 0 H VAL A 414 -2.370 -1.175 4.279 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.723 1.663 4.017 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.590 -0.666 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.920 1.014 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.018 1.277 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.583 2.309 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.696 0.037 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.274 1.286 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.160 -0.436 2.474 1.00 0.00 H new ATOM 484 N ALA A 415 -5.090 2.057 4.528 1.00 0.00 N ATOM 485 CA ALA A 415 -6.462 2.332 4.892 1.00 0.00 C ATOM 486 C ALA A 415 -7.318 2.523 3.642 1.00 0.00 C ATOM 487 O ALA A 415 -7.288 3.582 3.005 1.00 0.00 O ATOM 488 CB ALA A 415 -6.538 3.558 5.790 1.00 0.00 C ATOM 0 H ALA A 415 -4.497 2.884 4.462 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.852 1.478 5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.578 3.751 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -5.959 3.381 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.132 4.421 5.263 1.00 0.00 H new ATOM 494 N CYS A 416 -8.050 1.485 3.276 1.00 0.00 N ATOM 495 CA CYS A 416 -8.962 1.549 2.144 1.00 0.00 C ATOM 496 C CYS A 416 -10.375 1.865 2.617 1.00 0.00 C ATOM 497 O CYS A 416 -10.718 1.617 3.776 1.00 0.00 O ATOM 498 CB CYS A 416 -8.951 0.225 1.376 1.00 0.00 C ATOM 499 SG CYS A 416 -7.375 -0.126 0.529 1.00 0.00 S ATOM 0 H CYS A 416 -8.031 0.582 3.749 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.629 2.345 1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.168 -0.588 2.069 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.753 0.238 0.638 1.00 0.00 H new ATOM 504 N HIS A 417 -11.188 2.422 1.723 1.00 0.00 N ATOM 505 CA HIS A 417 -12.578 2.738 2.040 1.00 0.00 C ATOM 506 C HIS A 417 -13.375 1.464 2.301 1.00 0.00 C ATOM 507 O HIS A 417 -12.945 0.366 1.946 1.00 0.00 O ATOM 508 CB HIS A 417 -13.238 3.512 0.896 1.00 0.00 C ATOM 509 CG HIS A 417 -12.911 4.969 0.842 1.00 0.00 C ATOM 510 ND1 HIS A 417 -11.822 5.471 0.171 1.00 0.00 N ATOM 511 CD2 HIS A 417 -13.559 6.042 1.353 1.00 0.00 C ATOM 512 CE1 HIS A 417 -11.812 6.785 0.273 1.00 0.00 C ATOM 513 NE2 HIS A 417 -12.856 7.162 0.984 1.00 0.00 N ATOM 0 H HIS A 417 -10.908 2.664 0.773 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.576 3.356 2.938 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -12.943 3.055 -0.048 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.319 3.401 0.980 1.00 0.00 H new ATOM 0 HD1 HIS A 417 -11.129 4.913 -0.328 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -14.463 6.021 1.943 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -11.071 7.444 -0.155 1.00 0.00 H new ATOM 522 N PRO A 418 -14.554 1.611 2.916 1.00 0.00 N ATOM 523 CA PRO A 418 -15.439 0.492 3.233 1.00 0.00 C ATOM 524 C PRO A 418 -15.870 -0.257 1.976 1.00 0.00 C ATOM 525 O PRO A 418 -16.515 0.311 1.090 1.00 0.00 O ATOM 526 CB PRO A 418 -16.647 1.165 3.897 1.00 0.00 C ATOM 527 CG PRO A 418 -16.149 2.490 4.349 1.00 0.00 C ATOM 528 CD PRO A 418 -15.127 2.892 3.335 1.00 0.00 C ATOM 0 HA PRO A 418 -14.955 -0.251 3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.474 1.273 3.195 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.016 0.575 4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.959 3.218 4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.711 2.427 5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.578 3.425 2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.372 3.551 3.763 1.00 0.00 H new ATOM 536 N GLY A 419 -15.491 -1.519 1.894 1.00 0.00 N ATOM 537 CA GLY A 419 -15.812 -2.318 0.731 1.00 0.00 C ATOM 538 C GLY A 419 -14.578 -2.614 -0.092 1.00 0.00 C ATOM 539 O GLY A 419 -14.584 -3.500 -0.948 1.00 0.00 O ATOM 0 H GLY A 419 -14.963 -2.009 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.274 -3.254 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.543 -1.792 0.117 1.00 0.00 H new ATOM 543 N TYR A 420 -13.516 -1.871 0.178 1.00 0.00 N ATOM 544 CA TYR A 420 -12.251 -2.059 -0.512 1.00 0.00 C ATOM 545 C TYR A 420 -11.235 -2.717 0.406 1.00 0.00 C ATOM 546 O TYR A 420 -11.284 -2.549 1.627 1.00 0.00 O ATOM 547 CB TYR A 420 -11.703 -0.720 -1.005 1.00 0.00 C ATOM 548 CG TYR A 420 -12.542 -0.073 -2.083 1.00 0.00 C ATOM 549 CD1 TYR A 420 -12.492 -0.532 -3.390 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.373 1.002 -1.797 1.00 0.00 C ATOM 551 CE1 TYR A 420 -13.246 0.053 -4.384 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.133 1.595 -2.788 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.063 1.117 -4.080 1.00 0.00 C ATOM 554 OH TYR A 420 -14.810 1.708 -5.072 1.00 0.00 O ATOM 0 H TYR A 420 -13.507 -1.127 0.876 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.429 -2.708 -1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.626 -0.037 -0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.693 -0.870 -1.386 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.849 -1.365 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.426 1.380 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.196 -0.322 -5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.778 2.428 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.334 2.444 -4.692 1.00 0.00 H new ATOM 564 N ALA A 421 -10.326 -3.465 -0.188 1.00 0.00 N ATOM 565 CA ALA A 421 -9.255 -4.115 0.544 1.00 0.00 C ATOM 566 C ALA A 421 -8.049 -4.259 -0.366 1.00 0.00 C ATOM 567 O ALA A 421 -8.105 -3.886 -1.536 1.00 0.00 O ATOM 568 CB ALA A 421 -9.710 -5.478 1.049 1.00 0.00 C ATOM 0 H ALA A 421 -10.309 -3.640 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.984 -3.509 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.896 -5.954 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.568 -5.353 1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.993 -6.104 0.203 1.00 0.00 H new ATOM 574 N LEU A 422 -6.962 -4.786 0.162 1.00 0.00 N ATOM 575 CA LEU A 422 -5.792 -5.051 -0.652 1.00 0.00 C ATOM 576 C LEU A 422 -5.832 -6.474 -1.172 1.00 0.00 C ATOM 577 O LEU A 422 -6.385 -7.367 -0.528 1.00 0.00 O ATOM 578 CB LEU A 422 -4.508 -4.811 0.137 1.00 0.00 C ATOM 579 CG LEU A 422 -4.171 -3.344 0.386 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.059 -3.215 1.410 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.770 -2.667 -0.909 1.00 0.00 C ATOM 0 H LEU A 422 -6.864 -5.038 1.146 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.801 -4.363 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.590 -5.318 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.678 -5.273 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.061 -2.852 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.835 -2.161 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.375 -3.668 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.167 -3.724 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.533 -1.621 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.895 -3.166 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.594 -2.726 -1.621 1.00 0.00 H new ATOM 593 N PRO A 423 -5.252 -6.673 -2.355 1.00 0.00 N ATOM 594 CA PRO A 423 -5.198 -7.969 -3.034 1.00 0.00 C ATOM 595 C PRO A 423 -4.751 -9.094 -2.108 1.00 0.00 C ATOM 596 O PRO A 423 -3.860 -8.906 -1.279 1.00 0.00 O ATOM 597 CB PRO A 423 -4.175 -7.726 -4.141 1.00 0.00 C ATOM 598 CG PRO A 423 -4.331 -6.281 -4.450 1.00 0.00 C ATOM 599 CD PRO A 423 -4.593 -5.618 -3.133 1.00 0.00 C ATOM 0 HA PRO A 423 -6.173 -8.291 -3.399 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.163 -7.958 -3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.375 -8.347 -5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.432 -5.881 -4.919 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.155 -6.115 -5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.670 -5.284 -2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.230 -4.740 -3.243 1.00 0.00 H new ATOM 607 N LYS A 424 -5.389 -10.257 -2.258 1.00 0.00 N ATOM 608 CA LYS A 424 -5.140 -11.417 -1.397 1.00 0.00 C ATOM 609 C LYS A 424 -5.642 -11.165 0.023 1.00 0.00 C ATOM 610 O LYS A 424 -5.103 -11.708 0.990 1.00 0.00 O ATOM 611 CB LYS A 424 -3.653 -11.791 -1.381 1.00 0.00 C ATOM 612 CG LYS A 424 -3.142 -12.294 -2.719 1.00 0.00 C ATOM 613 CD LYS A 424 -3.833 -13.584 -3.125 1.00 0.00 C ATOM 614 CE LYS A 424 -3.358 -14.075 -4.481 1.00 0.00 C ATOM 615 NZ LYS A 424 -1.881 -14.230 -4.534 1.00 0.00 N ATOM 0 H LYS A 424 -6.092 -10.422 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.696 -12.257 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.070 -10.920 -1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.488 -12.559 -0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.308 -11.534 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.066 -12.458 -2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -3.643 -14.350 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -4.911 -13.426 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -3.831 -15.031 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -3.676 -13.373 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -1.619 -14.768 -5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -1.434 -13.291 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -1.555 -14.740 -3.688 1.00 0.00 H new ATOM 629 N ALA A 425 -6.688 -10.341 0.126 1.00 0.00 N ATOM 630 CA ALA A 425 -7.331 -10.027 1.401 1.00 0.00 C ATOM 631 C ALA A 425 -6.337 -9.450 2.404 1.00 0.00 C ATOM 632 O ALA A 425 -6.333 -9.824 3.580 1.00 0.00 O ATOM 633 CB ALA A 425 -8.009 -11.264 1.969 1.00 0.00 C ATOM 0 H ALA A 425 -7.112 -9.873 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.088 -9.265 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.483 -11.015 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.764 -11.619 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.266 -12.045 2.129 1.00 0.00 H new ATOM 639 N GLN A 426 -5.498 -8.542 1.935 1.00 0.00 N ATOM 640 CA GLN A 426 -4.492 -7.922 2.774 1.00 0.00 C ATOM 641 C GLN A 426 -4.980 -6.583 3.308 1.00 0.00 C ATOM 642 O GLN A 426 -5.912 -5.986 2.769 1.00 0.00 O ATOM 643 CB GLN A 426 -3.211 -7.711 1.971 1.00 0.00 C ATOM 644 CG GLN A 426 -2.534 -8.999 1.536 1.00 0.00 C ATOM 645 CD GLN A 426 -1.954 -9.787 2.691 1.00 0.00 C ATOM 646 OE1 GLN A 426 -1.479 -9.092 3.712 1.00 0.00 O flip ATOM 647 NE2 GLN A 426 -1.906 -11.015 2.652 1.00 0.00 N flip ATOM 0 H GLN A 426 -5.496 -8.217 0.968 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.295 -8.583 3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.443 -7.118 1.086 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.511 -7.129 2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -3.256 -9.621 1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.738 -8.763 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -2.283 -11.515 1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -1.489 -11.534 3.425 1.00 0.00 H new ATOM 656 N THR A 427 -4.345 -6.125 4.375 1.00 0.00 N ATOM 657 CA THR A 427 -4.588 -4.796 4.905 1.00 0.00 C ATOM 658 C THR A 427 -3.271 -4.059 4.965 1.00 0.00 C ATOM 659 O THR A 427 -3.180 -2.934 5.443 1.00 0.00 O ATOM 660 CB THR A 427 -5.212 -4.849 6.313 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.654 -5.946 7.054 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.725 -4.992 6.237 1.00 0.00 C ATOM 0 H THR A 427 -3.651 -6.662 4.895 1.00 0.00 H new ATOM 0 HA THR A 427 -5.293 -4.282 4.251 1.00 0.00 H new ATOM 0 HB THR A 427 -4.983 -3.913 6.822 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.053 -5.973 7.949 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.138 -5.027 7.245 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.145 -4.140 5.702 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.977 -5.912 5.709 1.00 0.00 H new ATOM 670 N THR A 428 -2.256 -4.720 4.445 1.00 0.00 N ATOM 671 CA THR A 428 -0.898 -4.275 4.566 1.00 0.00 C ATOM 672 C THR A 428 -0.142 -4.447 3.251 1.00 0.00 C ATOM 673 O THR A 428 -0.464 -5.327 2.449 1.00 0.00 O ATOM 674 CB THR A 428 -0.202 -5.100 5.650 1.00 0.00 C ATOM 675 OG1 THR A 428 -1.018 -6.231 5.999 1.00 0.00 O ATOM 676 CG2 THR A 428 0.092 -4.271 6.887 1.00 0.00 C ATOM 0 H THR A 428 -2.361 -5.590 3.922 1.00 0.00 H new ATOM 0 HA THR A 428 -0.902 -3.217 4.827 1.00 0.00 H new ATOM 0 HB THR A 428 0.751 -5.444 5.248 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.568 -6.758 6.692 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.586 -4.893 7.633 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.743 -3.438 6.621 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.842 -3.886 7.297 1.00 0.00 H new ATOM 684 N VAL A 429 0.851 -3.601 3.034 1.00 0.00 N ATOM 685 CA VAL A 429 1.722 -3.705 1.876 1.00 0.00 C ATOM 686 C VAL A 429 3.138 -3.366 2.278 1.00 0.00 C ATOM 687 O VAL A 429 3.359 -2.493 3.120 1.00 0.00 O ATOM 688 CB VAL A 429 1.253 -2.793 0.725 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.055 -1.365 1.202 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.219 -2.825 -0.430 1.00 0.00 C ATOM 0 H VAL A 429 1.076 -2.824 3.655 1.00 0.00 H new ATOM 0 HA VAL A 429 1.683 -4.731 1.510 1.00 0.00 H new ATOM 0 HB VAL A 429 0.294 -3.178 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.724 -0.745 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.302 -1.346 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.997 -0.977 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.858 -2.171 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.198 -2.483 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.301 -3.844 -0.808 1.00 0.00 H new ATOM 700 N THR A 430 4.099 -4.081 1.716 1.00 0.00 N ATOM 701 CA THR A 430 5.462 -3.915 2.148 1.00 0.00 C ATOM 702 C THR A 430 6.433 -3.783 0.989 1.00 0.00 C ATOM 703 O THR A 430 6.157 -4.217 -0.129 1.00 0.00 O ATOM 704 CB THR A 430 5.927 -5.084 3.029 1.00 0.00 C ATOM 705 OG1 THR A 430 6.305 -6.197 2.207 1.00 0.00 O ATOM 706 CG2 THR A 430 4.841 -5.541 3.989 1.00 0.00 C ATOM 0 H THR A 430 3.958 -4.767 0.975 1.00 0.00 H new ATOM 0 HA THR A 430 5.467 -2.989 2.723 1.00 0.00 H new ATOM 0 HB THR A 430 6.778 -4.728 3.610 1.00 0.00 H new ATOM 0 HG1 THR A 430 6.602 -6.938 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.213 -6.369 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.561 -4.714 4.642 1.00 0.00 H new ATOM 0 HG23 THR A 430 3.969 -5.868 3.423 1.00 0.00 H new ATOM 714 N CYS A 431 7.573 -3.176 1.283 1.00 0.00 N ATOM 715 CA CYS A 431 8.640 -2.993 0.329 1.00 0.00 C ATOM 716 C CYS A 431 9.508 -4.257 0.263 1.00 0.00 C ATOM 717 O CYS A 431 10.416 -4.429 1.074 1.00 0.00 O ATOM 718 CB CYS A 431 9.489 -1.806 0.773 1.00 0.00 C ATOM 719 SG CYS A 431 8.567 -0.404 1.427 1.00 0.00 S ATOM 0 H CYS A 431 7.779 -2.794 2.206 1.00 0.00 H new ATOM 0 HA CYS A 431 8.223 -2.805 -0.661 1.00 0.00 H new ATOM 0 HB2 CYS A 431 10.190 -2.146 1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 431 10.082 -1.466 -0.076 1.00 0.00 H new ATOM 724 N MET A 432 9.227 -5.133 -0.699 1.00 0.00 N ATOM 725 CA MET A 432 9.913 -6.427 -0.791 1.00 0.00 C ATOM 726 C MET A 432 11.267 -6.312 -1.493 1.00 0.00 C ATOM 727 O MET A 432 12.243 -6.932 -1.081 1.00 0.00 O ATOM 728 CB MET A 432 9.037 -7.448 -1.524 1.00 0.00 C ATOM 729 CG MET A 432 8.789 -7.105 -2.983 1.00 0.00 C ATOM 730 SD MET A 432 7.880 -8.387 -3.870 1.00 0.00 S ATOM 731 CE MET A 432 9.031 -9.757 -3.756 1.00 0.00 C ATOM 0 H MET A 432 8.530 -4.974 -1.427 1.00 0.00 H new ATOM 0 HA MET A 432 10.093 -6.766 0.229 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.511 -8.428 -1.466 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.079 -7.526 -1.010 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.233 -6.169 -3.040 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.746 -6.938 -3.478 1.00 0.00 H new ATOM 0 HE1 MET A 432 9.074 -10.277 -4.713 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.022 -9.380 -3.504 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.698 -10.448 -2.982 1.00 0.00 H new ATOM 741 N GLU A 433 11.307 -5.520 -2.553 1.00 0.00 N ATOM 742 CA GLU A 433 12.509 -5.342 -3.361 1.00 0.00 C ATOM 743 C GLU A 433 12.290 -4.193 -4.319 1.00 0.00 C ATOM 744 O GLU A 433 12.830 -3.109 -4.136 1.00 0.00 O ATOM 745 CB GLU A 433 12.851 -6.617 -4.147 1.00 0.00 C ATOM 746 CG GLU A 433 13.954 -6.424 -5.184 1.00 0.00 C ATOM 747 CD GLU A 433 15.354 -6.438 -4.603 1.00 0.00 C ATOM 748 OE1 GLU A 433 15.850 -5.371 -4.181 1.00 0.00 O ATOM 749 OE2 GLU A 433 15.983 -7.516 -4.596 1.00 0.00 O ATOM 0 H GLU A 433 10.506 -4.980 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 433 13.346 -5.127 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.156 -7.394 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.952 -6.975 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.875 -7.211 -5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 433 13.794 -5.476 -5.698 1.00 0.00 H new ATOM 756 N ASN A 434 11.437 -4.426 -5.303 1.00 0.00 N ATOM 757 CA ASN A 434 11.113 -3.420 -6.301 1.00 0.00 C ATOM 758 C ASN A 434 9.977 -2.541 -5.799 1.00 0.00 C ATOM 759 O ASN A 434 9.232 -1.950 -6.579 1.00 0.00 O ATOM 760 CB ASN A 434 10.724 -4.088 -7.626 1.00 0.00 C ATOM 761 CG ASN A 434 9.454 -4.922 -7.528 1.00 0.00 C ATOM 762 OD1 ASN A 434 9.115 -5.456 -6.468 1.00 0.00 O ATOM 763 ND2 ASN A 434 8.746 -5.043 -8.639 1.00 0.00 N ATOM 0 H ASN A 434 10.952 -5.314 -5.432 1.00 0.00 H new ATOM 0 HA ASN A 434 11.992 -2.798 -6.474 1.00 0.00 H new ATOM 0 HB2 ASN A 434 10.588 -3.319 -8.387 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.544 -4.724 -7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 434 7.887 -5.593 -8.639 1.00 0.00 H new ATOM 0 HD22 ASN A 434 9.059 -4.586 -9.496 1.00 0.00 H new ATOM 770 N GLY A 435 9.861 -2.460 -4.486 1.00 0.00 N ATOM 771 CA GLY A 435 8.785 -1.719 -3.883 1.00 0.00 C ATOM 772 C GLY A 435 7.769 -2.629 -3.228 1.00 0.00 C ATOM 773 O GLY A 435 8.121 -3.667 -2.669 1.00 0.00 O ATOM 0 H GLY A 435 10.500 -2.899 -3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.190 -1.032 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.292 -1.112 -4.643 1.00 0.00 H new ATOM 777 N TRP A 436 6.514 -2.241 -3.333 1.00 0.00 N ATOM 778 CA TRP A 436 5.405 -2.930 -2.679 1.00 0.00 C ATOM 779 C TRP A 436 5.212 -4.348 -3.222 1.00 0.00 C ATOM 780 O TRP A 436 5.232 -4.571 -4.432 1.00 0.00 O ATOM 781 CB TRP A 436 4.144 -2.107 -2.897 1.00 0.00 C ATOM 782 CG TRP A 436 4.284 -0.694 -2.429 1.00 0.00 C ATOM 783 CD1 TRP A 436 3.974 0.438 -3.126 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.795 -0.260 -1.169 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.222 1.544 -2.360 1.00 0.00 N ATOM 786 CE2 TRP A 436 4.735 1.146 -1.157 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.289 -0.924 -0.043 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.146 1.898 -0.066 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.703 -0.175 1.032 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.629 1.222 1.019 1.00 0.00 C ATOM 0 H TRP A 436 6.226 -1.430 -3.880 1.00 0.00 H new ATOM 0 HA TRP A 436 5.625 -3.027 -1.616 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.893 -2.110 -3.958 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.313 -2.578 -2.371 1.00 0.00 H new ATOM 0 HD1 TRP A 436 3.589 0.458 -4.135 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.052 2.510 -2.641 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.344 -2.002 -0.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.087 2.976 -0.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 6.094 -0.675 1.906 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.960 1.777 1.884 1.00 0.00 H new ATOM 801 N SER A 437 5.030 -5.297 -2.310 1.00 0.00 N ATOM 802 CA SER A 437 4.847 -6.700 -2.665 1.00 0.00 C ATOM 803 C SER A 437 3.369 -7.050 -2.884 1.00 0.00 C ATOM 804 O SER A 437 3.014 -7.529 -3.959 1.00 0.00 O ATOM 805 CB SER A 437 5.468 -7.597 -1.599 1.00 0.00 C ATOM 806 OG SER A 437 5.424 -8.963 -1.974 1.00 0.00 O ATOM 0 H SER A 437 5.005 -5.116 -1.306 1.00 0.00 H new ATOM 0 HA SER A 437 5.357 -6.873 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 437 6.503 -7.299 -1.430 1.00 0.00 H new ATOM 0 HB3 SER A 437 4.939 -7.461 -0.656 1.00 0.00 H new ATOM 0 HG SER A 437 6.131 -9.146 -2.627 1.00 0.00 H new ATOM 812 N PRO A 438 2.477 -6.830 -1.885 1.00 0.00 N ATOM 813 CA PRO A 438 1.042 -7.087 -2.051 1.00 0.00 C ATOM 814 C PRO A 438 0.423 -6.152 -3.077 1.00 0.00 C ATOM 815 O PRO A 438 -0.640 -6.434 -3.633 1.00 0.00 O ATOM 816 CB PRO A 438 0.448 -6.795 -0.669 1.00 0.00 C ATOM 817 CG PRO A 438 1.595 -6.786 0.268 1.00 0.00 C ATOM 818 CD PRO A 438 2.774 -6.337 -0.533 1.00 0.00 C ATOM 0 HA PRO A 438 0.853 -8.101 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.071 -5.837 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.281 -7.555 -0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.411 -6.111 1.104 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.763 -7.777 0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 438 2.882 -5.252 -0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.704 -6.756 -0.148 1.00 0.00 H new ATOM 826 N THR A 439 1.118 -5.040 -3.309 1.00 0.00 N ATOM 827 CA THR A 439 0.664 -3.985 -4.202 1.00 0.00 C ATOM 828 C THR A 439 -0.491 -3.201 -3.576 1.00 0.00 C ATOM 829 O THR A 439 -1.563 -3.745 -3.317 1.00 0.00 O ATOM 830 CB THR A 439 0.238 -4.536 -5.578 1.00 0.00 C ATOM 831 OG1 THR A 439 1.295 -5.334 -6.127 1.00 0.00 O ATOM 832 CG2 THR A 439 -0.088 -3.402 -6.539 1.00 0.00 C ATOM 0 H THR A 439 2.021 -4.848 -2.876 1.00 0.00 H new ATOM 0 HA THR A 439 1.510 -3.315 -4.356 1.00 0.00 H new ATOM 0 HB THR A 439 -0.655 -5.146 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.021 -5.684 -7.000 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.386 -3.816 -7.502 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.904 -2.804 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.792 -2.773 -6.671 1.00 0.00 H new ATOM 840 N PRO A 440 -0.279 -1.905 -3.312 1.00 0.00 N ATOM 841 CA PRO A 440 -1.294 -1.055 -2.721 1.00 0.00 C ATOM 842 C PRO A 440 -2.346 -0.646 -3.740 1.00 0.00 C ATOM 843 O PRO A 440 -2.203 0.353 -4.447 1.00 0.00 O ATOM 844 CB PRO A 440 -0.529 0.161 -2.204 1.00 0.00 C ATOM 845 CG PRO A 440 0.810 0.134 -2.865 1.00 0.00 C ATOM 846 CD PRO A 440 0.960 -1.179 -3.591 1.00 0.00 C ATOM 0 HA PRO A 440 -1.840 -1.568 -1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.060 1.083 -2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.427 0.122 -1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.904 0.966 -3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.601 0.249 -2.124 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.096 -1.026 -4.662 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.830 -1.731 -3.235 1.00 0.00 H new ATOM 854 N ARG A 441 -3.386 -1.455 -3.822 1.00 0.00 N ATOM 855 CA ARG A 441 -4.517 -1.197 -4.691 1.00 0.00 C ATOM 856 C ARG A 441 -5.794 -1.564 -3.963 1.00 0.00 C ATOM 857 O ARG A 441 -6.067 -2.745 -3.749 1.00 0.00 O ATOM 858 CB ARG A 441 -4.411 -2.013 -5.983 1.00 0.00 C ATOM 859 CG ARG A 441 -3.368 -1.500 -6.964 1.00 0.00 C ATOM 860 CD ARG A 441 -3.206 -2.442 -8.148 1.00 0.00 C ATOM 861 NE ARG A 441 -4.480 -2.746 -8.803 1.00 0.00 N ATOM 862 CZ ARG A 441 -4.703 -3.851 -9.516 1.00 0.00 C ATOM 863 NH1 ARG A 441 -3.727 -4.739 -9.702 1.00 0.00 N ATOM 864 NH2 ARG A 441 -5.901 -4.064 -10.050 1.00 0.00 N ATOM 0 H ARG A 441 -3.469 -2.317 -3.282 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.524 -0.139 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.176 -3.046 -5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.383 -2.020 -6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.658 -0.512 -7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.411 -1.387 -6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.526 -1.995 -8.873 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.745 -3.370 -7.809 1.00 0.00 H new ATOM 0 HE ARG A 441 -5.241 -2.074 -8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.805 -4.575 -9.298 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -3.902 -5.583 -10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.648 -3.383 -9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -6.073 -4.908 -10.596 1.00 0.00 H new ATOM 878 N CYS A 442 -6.552 -0.557 -3.555 1.00 0.00 N ATOM 879 CA CYS A 442 -7.817 -0.788 -2.874 1.00 0.00 C ATOM 880 C CYS A 442 -8.830 -1.378 -3.843 1.00 0.00 C ATOM 881 O CYS A 442 -9.620 -0.653 -4.447 1.00 0.00 O ATOM 882 CB CYS A 442 -8.365 0.512 -2.274 1.00 0.00 C ATOM 883 SG CYS A 442 -7.320 1.242 -0.970 1.00 0.00 S ATOM 0 H CYS A 442 -6.314 0.426 -3.683 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.641 -1.493 -2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.489 1.242 -3.074 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.355 0.318 -1.862 1.00 0.00 H new ATOM 888 N ILE A 443 -8.775 -2.690 -4.007 1.00 0.00 N ATOM 889 CA ILE A 443 -9.711 -3.398 -4.844 1.00 0.00 C ATOM 890 C ILE A 443 -10.954 -3.742 -4.047 1.00 0.00 C ATOM 891 O ILE A 443 -10.879 -4.068 -2.860 1.00 0.00 O ATOM 892 CB ILE A 443 -9.085 -4.684 -5.422 1.00 0.00 C ATOM 893 CG1 ILE A 443 -8.477 -5.546 -4.312 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.037 -4.338 -6.470 1.00 0.00 C ATOM 895 CD1 ILE A 443 -8.069 -6.930 -4.772 1.00 0.00 C ATOM 0 H ILE A 443 -8.079 -3.287 -3.561 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.979 -2.749 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.875 -5.263 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.604 -5.036 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.199 -5.640 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -7.604 -5.256 -6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.503 -3.775 -7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.252 -3.735 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -7.647 -7.483 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -8.943 -7.459 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.323 -6.846 -5.563 1.00 0.00 H new ATOM 907 N ARG A 444 -12.100 -3.631 -4.692 1.00 0.00 N ATOM 908 CA ARG A 444 -13.355 -3.894 -4.059 1.00 0.00 C ATOM 909 C ARG A 444 -13.489 -5.369 -3.747 1.00 0.00 C ATOM 910 O ARG A 444 -13.550 -6.210 -4.645 1.00 0.00 O ATOM 911 CB ARG A 444 -14.476 -3.411 -4.970 1.00 0.00 C ATOM 912 CG ARG A 444 -15.820 -3.425 -4.302 1.00 0.00 C ATOM 913 CD ARG A 444 -16.932 -3.016 -5.253 1.00 0.00 C ATOM 914 NE ARG A 444 -17.061 -3.949 -6.368 1.00 0.00 N ATOM 915 CZ ARG A 444 -17.468 -3.608 -7.588 1.00 0.00 C ATOM 916 NH1 ARG A 444 -17.869 -2.368 -7.839 1.00 0.00 N ATOM 917 NH2 ARG A 444 -17.499 -4.521 -8.550 1.00 0.00 N ATOM 0 H ARG A 444 -12.175 -3.355 -5.671 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.415 -3.357 -3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.253 -2.398 -5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.511 -4.041 -5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.022 -4.424 -3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.807 -2.749 -3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.875 -2.966 -4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.732 -2.016 -5.637 1.00 0.00 H new ATOM 0 HE ARG A 444 -16.824 -4.927 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.866 -1.671 -7.095 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.180 -2.112 -8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -17.212 -5.480 -8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -17.810 -4.264 -9.487 1.00 0.00 H new ATOM 931 N VAL A 445 -13.537 -5.665 -2.463 1.00 0.00 N ATOM 932 CA VAL A 445 -13.582 -7.031 -1.993 1.00 0.00 C ATOM 933 C VAL A 445 -14.998 -7.583 -2.127 1.00 0.00 C ATOM 934 O VAL A 445 -15.243 -8.780 -1.974 1.00 0.00 O ATOM 935 CB VAL A 445 -13.093 -7.111 -0.531 1.00 0.00 C ATOM 936 CG1 VAL A 445 -14.138 -6.569 0.434 1.00 0.00 C ATOM 937 CG2 VAL A 445 -12.682 -8.531 -0.165 1.00 0.00 C ATOM 0 H VAL A 445 -13.546 -4.966 -1.720 1.00 0.00 H new ATOM 0 HA VAL A 445 -12.917 -7.640 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.209 -6.479 -0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.762 -6.640 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.347 -5.526 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.054 -7.152 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.342 -8.556 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -13.535 -9.199 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -11.874 -8.856 -0.820 1.00 0.00 H new ATOM 947 N LYS A 446 -15.922 -6.684 -2.424 1.00 0.00 N ATOM 948 CA LYS A 446 -17.297 -7.052 -2.692 1.00 0.00 C ATOM 949 C LYS A 446 -17.452 -7.365 -4.178 1.00 0.00 C ATOM 950 O LYS A 446 -17.338 -8.550 -4.553 1.00 0.00 O ATOM 951 CB LYS A 446 -18.225 -5.908 -2.267 1.00 0.00 C ATOM 952 CG LYS A 446 -19.705 -6.198 -2.450 1.00 0.00 C ATOM 953 CD LYS A 446 -20.561 -5.098 -1.845 1.00 0.00 C ATOM 954 CE LYS A 446 -22.037 -5.328 -2.114 1.00 0.00 C ATOM 955 NZ LYS A 446 -22.898 -4.341 -1.407 1.00 0.00 N ATOM 956 OXT LYS A 446 -17.636 -6.423 -4.973 1.00 0.00 O ATOM 0 H LYS A 446 -15.738 -5.683 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 446 -17.568 -7.940 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -18.040 -5.677 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -17.969 -5.017 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -19.930 -6.295 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -19.951 -7.152 -1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -20.389 -5.052 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -20.261 -4.134 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -22.223 -5.267 -3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -22.309 -6.336 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -23.897 -4.537 -1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -22.741 -4.415 -0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -22.658 -3.380 -1.725 1.00 0.00 H new TER 970 LYS A 446