USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 274 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 10 CYS SG : rot 130:sc= -3.72! USER MOD Set 1.2: A 31 HIS : no HD1:sc= -7.39! C(o=-11!,f=-11!) USER MOD Set 2.1: A 17 CYS SG : rot -99:sc= -4.18! USER MOD Set 2.2: A 33 CYS SG : rot -57:sc= -5.54! USER MOD Set 3.1: A 3 CYS SG : rot -150:sc= 0.802 USER MOD Set 3.2: A 18 CYS SG : rot 144:sc= -2.26! USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.0466 (180deg=-0.0466) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.201 (180deg=-0.848) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= -2.16! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.29) USER MOD Single : A 32 LYS NZ :NH3+ -153:sc= -0.0815 (180deg=-0.603) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -28.404 18.538 -21.917 1.00 0.00 N HETATM 2 CA PCA A 1 -27.489 18.935 -20.811 1.00 0.00 C HETATM 3 CB PCA A 1 -28.216 18.694 -19.476 1.00 0.00 C HETATM 4 CG PCA A 1 -29.585 18.092 -19.812 1.00 0.00 C HETATM 5 CD PCA A 1 -29.673 17.998 -21.348 1.00 0.00 C HETATM 6 OE PCA A 1 -30.753 18.193 -21.901 1.00 0.00 O HETATM 7 C PCA A 1 -26.194 18.144 -20.873 1.00 0.00 C HETATM 8 O PCA A 1 -25.148 18.622 -20.438 1.00 0.00 O HETATM 0 H2 PCA A 1 -29.283 19.091 -21.856 1.00 0.00 H new HETATM 0 HA PCA A 1 -27.228 19.989 -20.905 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -27.643 18.018 -18.842 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -28.330 19.628 -18.925 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -29.694 17.107 -19.359 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -30.387 18.715 -19.417 1.00 0.00 H new ATOM 15 N GLN A 2 -26.252 16.948 -21.465 1.00 0.00 N ATOM 16 CA GLN A 2 -25.079 16.107 -21.611 1.00 0.00 C ATOM 17 C GLN A 2 -25.421 14.890 -22.464 1.00 0.00 C ATOM 18 O GLN A 2 -26.378 14.179 -22.157 1.00 0.00 O ATOM 19 CB GLN A 2 -24.591 15.675 -20.229 1.00 0.00 C ATOM 20 CG GLN A 2 -23.441 14.682 -20.388 1.00 0.00 C ATOM 21 CD GLN A 2 -22.587 14.636 -19.127 1.00 0.00 C ATOM 22 OE1 GLN A 2 -21.944 15.623 -18.777 1.00 0.00 O ATOM 23 NE2 GLN A 2 -22.527 13.467 -18.487 1.00 0.00 N ATOM 0 H GLN A 2 -27.107 16.546 -21.850 1.00 0.00 H new ATOM 0 HA GLN A 2 -24.285 16.665 -22.107 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -24.261 16.544 -19.659 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -25.407 15.218 -19.669 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -23.838 13.689 -20.600 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -22.824 14.967 -21.240 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -23.081 12.676 -18.817 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -21.928 13.364 -17.668 1.00 0.00 H new ATOM 32 N CYS A 3 -24.791 14.785 -23.638 1.00 0.00 N ATOM 33 CA CYS A 3 -25.129 13.763 -24.598 1.00 0.00 C ATOM 34 C CYS A 3 -23.927 13.495 -25.530 1.00 0.00 C ATOM 35 O CYS A 3 -22.834 13.417 -24.935 1.00 0.00 O ATOM 36 CB CYS A 3 -26.358 14.161 -25.405 1.00 0.00 C ATOM 37 SG CYS A 3 -26.014 15.373 -26.718 1.00 0.00 S ATOM 0 H CYS A 3 -24.040 15.407 -23.936 1.00 0.00 H new ATOM 0 HA CYS A 3 -25.366 12.846 -24.059 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -26.792 13.267 -25.853 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -27.107 14.574 -24.729 1.00 0.00 H new ATOM 0 HG CYS A 3 -27.067 16.109 -26.916 1.00 0.00 H new ATOM 42 N VAL A 4 -24.231 12.765 -26.626 1.00 0.00 N ATOM 43 CA VAL A 4 -23.176 11.879 -27.166 1.00 0.00 C ATOM 44 C VAL A 4 -23.723 11.148 -28.377 1.00 0.00 C ATOM 45 O VAL A 4 -24.651 10.349 -28.244 1.00 0.00 O ATOM 46 CB VAL A 4 -22.761 10.959 -26.020 1.00 0.00 C ATOM 47 CG1 VAL A 4 -22.849 9.492 -26.422 1.00 0.00 C ATOM 48 CG2 VAL A 4 -21.318 11.279 -25.623 1.00 0.00 C ATOM 0 H VAL A 4 -25.123 12.765 -27.121 1.00 0.00 H new ATOM 0 HA VAL A 4 -22.293 12.414 -27.515 1.00 0.00 H new ATOM 0 HB VAL A 4 -23.440 11.127 -25.184 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -22.547 8.866 -25.583 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -23.875 9.252 -26.702 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -22.189 9.307 -27.269 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -21.013 10.627 -24.805 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -20.661 11.120 -26.478 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -21.251 12.319 -25.303 1.00 0.00 H new ATOM 58 N LYS A 5 -23.271 11.540 -29.574 1.00 0.00 N ATOM 59 CA LYS A 5 -23.886 11.072 -30.805 1.00 0.00 C ATOM 60 C LYS A 5 -22.939 11.301 -31.980 1.00 0.00 C ATOM 61 O LYS A 5 -22.629 12.453 -32.289 1.00 0.00 O ATOM 62 CB LYS A 5 -25.203 11.815 -31.023 1.00 0.00 C ATOM 63 CG LYS A 5 -25.011 13.296 -30.709 1.00 0.00 C ATOM 64 CD LYS A 5 -26.237 14.079 -31.168 1.00 0.00 C ATOM 65 CE LYS A 5 -25.811 15.477 -31.615 1.00 0.00 C ATOM 66 NZ LYS A 5 -26.976 16.374 -31.705 1.00 0.00 N ATOM 0 H LYS A 5 -22.486 12.177 -29.708 1.00 0.00 H new ATOM 0 HA LYS A 5 -24.088 10.003 -30.732 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -25.536 11.691 -32.053 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -25.980 11.395 -30.384 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -24.858 13.434 -29.639 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -24.119 13.672 -31.210 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -26.729 13.557 -31.989 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -26.961 14.150 -30.356 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -25.086 15.884 -30.910 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -25.315 15.419 -32.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -26.664 17.318 -32.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -27.655 15.993 -32.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -27.433 16.445 -30.773 1.00 0.00 H new ATOM 80 N LYS A 6 -22.755 10.261 -32.801 1.00 0.00 N ATOM 81 CA LYS A 6 -22.061 10.397 -34.068 1.00 0.00 C ATOM 82 C LYS A 6 -20.561 10.547 -33.830 1.00 0.00 C ATOM 83 O LYS A 6 -20.085 11.655 -33.588 1.00 0.00 O ATOM 84 CB LYS A 6 -22.608 11.606 -34.827 1.00 0.00 C ATOM 85 CG LYS A 6 -22.410 11.395 -36.325 1.00 0.00 C ATOM 86 CD LYS A 6 -22.175 12.743 -37.002 1.00 0.00 C ATOM 87 CE LYS A 6 -22.045 12.538 -38.510 1.00 0.00 C ATOM 88 NZ LYS A 6 -21.169 11.393 -38.811 1.00 0.00 N ATOM 0 H LYS A 6 -23.082 9.316 -32.601 1.00 0.00 H new ATOM 0 HA LYS A 6 -22.226 9.502 -34.667 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -23.666 11.741 -34.604 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -22.096 12.513 -34.505 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -21.561 10.735 -36.501 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -23.286 10.909 -36.754 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -23.002 13.420 -36.786 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -21.271 13.208 -36.608 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -23.031 12.371 -38.945 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -21.642 13.440 -38.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -20.822 11.469 -39.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.361 11.392 -38.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.704 10.508 -38.701 1.00 0.00 H new ATOM 102 N ASP A 7 -19.803 9.499 -34.183 1.00 0.00 N ATOM 103 CA ASP A 7 -18.372 9.499 -33.934 1.00 0.00 C ATOM 104 C ASP A 7 -18.106 9.765 -32.457 1.00 0.00 C ATOM 105 O ASP A 7 -16.966 10.025 -32.077 1.00 0.00 O ATOM 106 CB ASP A 7 -17.708 10.569 -34.803 1.00 0.00 C ATOM 107 CG ASP A 7 -16.990 9.933 -35.986 1.00 0.00 C ATOM 108 OD1 ASP A 7 -17.686 9.653 -36.986 1.00 0.00 O ATOM 109 OD2 ASP A 7 -15.782 9.653 -35.830 1.00 0.00 O ATOM 0 H ASP A 7 -20.159 8.657 -34.635 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.953 8.526 -34.190 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.460 11.271 -35.163 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.998 11.141 -34.205 1.00 0.00 H new ATOM 114 N GLU A 8 -19.122 9.544 -31.618 1.00 0.00 N ATOM 115 CA GLU A 8 -18.937 9.600 -30.178 1.00 0.00 C ATOM 116 C GLU A 8 -18.344 8.284 -29.684 1.00 0.00 C ATOM 117 O GLU A 8 -17.927 7.456 -30.493 1.00 0.00 O ATOM 118 CB GLU A 8 -20.278 9.878 -29.503 1.00 0.00 C ATOM 119 CG GLU A 8 -20.135 11.076 -28.565 1.00 0.00 C ATOM 120 CD GLU A 8 -19.878 12.353 -29.356 1.00 0.00 C ATOM 121 OE1 GLU A 8 -19.430 12.219 -30.515 1.00 0.00 O ATOM 122 OE2 GLU A 8 -20.237 13.427 -28.827 1.00 0.00 O ATOM 0 H GLU A 8 -20.073 9.326 -31.916 1.00 0.00 H new ATOM 0 HA GLU A 8 -18.246 10.405 -29.926 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -21.041 10.080 -30.255 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -20.605 9.001 -28.944 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -21.041 11.188 -27.969 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -19.315 10.903 -27.868 1.00 0.00 H new ATOM 129 N LEU A 9 -18.046 8.225 -28.382 1.00 0.00 N ATOM 130 CA LEU A 9 -17.441 7.046 -27.791 1.00 0.00 C ATOM 131 C LEU A 9 -18.437 6.374 -26.853 1.00 0.00 C ATOM 132 O LEU A 9 -19.322 7.041 -26.318 1.00 0.00 O ATOM 133 CB LEU A 9 -16.176 7.451 -27.036 1.00 0.00 C ATOM 134 CG LEU A 9 -16.493 8.618 -26.105 1.00 0.00 C ATOM 135 CD1 LEU A 9 -15.858 8.367 -24.740 1.00 0.00 C ATOM 136 CD2 LEU A 9 -15.932 9.908 -26.697 1.00 0.00 C ATOM 0 H LEU A 9 -18.217 8.985 -27.724 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.171 6.337 -28.573 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.796 6.606 -26.462 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.394 7.735 -27.740 1.00 0.00 H new ATOM 0 HG LEU A 9 -17.573 8.709 -25.992 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.084 9.200 -24.075 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.258 7.446 -24.317 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.778 8.275 -24.853 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.158 10.742 -26.032 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.852 9.817 -26.810 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.385 10.088 -27.672 1.00 0.00 H new ATOM 148 N CYS A 10 -18.386 5.041 -26.785 1.00 0.00 N ATOM 149 CA CYS A 10 -19.404 4.281 -26.076 1.00 0.00 C ATOM 150 C CYS A 10 -19.215 4.461 -24.575 1.00 0.00 C ATOM 151 O CYS A 10 -18.096 4.660 -24.108 1.00 0.00 O ATOM 152 CB CYS A 10 -19.321 2.808 -26.481 1.00 0.00 C ATOM 153 SG CYS A 10 -18.756 1.690 -25.164 1.00 0.00 S ATOM 0 H CYS A 10 -17.653 4.474 -27.211 1.00 0.00 H new ATOM 0 HA CYS A 10 -20.397 4.645 -26.340 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -20.305 2.482 -26.819 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.645 2.716 -27.332 1.00 0.00 H new ATOM 0 HG CYS A 10 -19.576 0.686 -25.065 1.00 0.00 H new ATOM 158 N ILE A 11 -20.306 4.329 -23.817 1.00 0.00 N ATOM 159 CA ILE A 11 -20.240 4.380 -22.368 1.00 0.00 C ATOM 160 C ILE A 11 -21.425 3.625 -21.777 1.00 0.00 C ATOM 161 O ILE A 11 -22.500 4.203 -21.621 1.00 0.00 O ATOM 162 CB ILE A 11 -20.244 5.836 -21.912 1.00 0.00 C ATOM 163 CG1 ILE A 11 -18.979 6.534 -22.398 1.00 0.00 C ATOM 164 CG2 ILE A 11 -20.320 5.901 -20.391 1.00 0.00 C ATOM 165 CD1 ILE A 11 -18.929 7.951 -21.831 1.00 0.00 C ATOM 0 H ILE A 11 -21.244 4.186 -24.191 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.321 3.908 -22.021 1.00 0.00 H new ATOM 0 HB ILE A 11 -21.113 6.340 -22.334 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -18.098 5.974 -22.084 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -18.964 6.566 -23.487 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -20.323 6.943 -20.071 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -21.235 5.415 -20.051 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.457 5.392 -19.961 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -18.024 8.450 -22.178 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -19.803 8.509 -22.167 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.924 7.907 -20.742 1.00 0.00 H new ATOM 177 N PRO A 12 -21.192 2.395 -21.309 1.00 0.00 N ATOM 178 CA PRO A 12 -22.328 1.509 -20.996 1.00 0.00 C ATOM 179 C PRO A 12 -22.711 1.643 -19.538 1.00 0.00 C ATOM 180 O PRO A 12 -23.256 0.706 -18.951 1.00 0.00 O ATOM 181 CB PRO A 12 -21.871 0.080 -21.329 1.00 0.00 C ATOM 182 CG PRO A 12 -20.408 0.165 -21.790 1.00 0.00 C ATOM 183 CD PRO A 12 -20.005 1.646 -21.752 1.00 0.00 C ATOM 0 HA PRO A 12 -23.213 1.770 -21.576 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -21.962 -0.566 -20.456 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -22.496 -0.351 -22.111 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.764 -0.426 -21.138 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.298 -0.238 -22.797 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.171 1.803 -21.068 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -19.679 1.984 -22.736 1.00 0.00 H new ATOM 191 N TYR A 13 -22.512 2.833 -18.964 1.00 0.00 N ATOM 192 CA TYR A 13 -22.978 3.120 -17.619 1.00 0.00 C ATOM 193 C TYR A 13 -24.390 3.691 -17.676 1.00 0.00 C ATOM 194 O TYR A 13 -24.649 4.759 -17.124 1.00 0.00 O ATOM 195 CB TYR A 13 -22.017 4.111 -16.955 1.00 0.00 C ATOM 196 CG TYR A 13 -20.562 3.744 -17.146 1.00 0.00 C ATOM 197 CD1 TYR A 13 -20.205 2.414 -17.399 1.00 0.00 C ATOM 198 CD2 TYR A 13 -19.574 4.733 -17.069 1.00 0.00 C ATOM 199 CE1 TYR A 13 -18.858 2.072 -17.576 1.00 0.00 C ATOM 200 CE2 TYR A 13 -18.227 4.392 -17.246 1.00 0.00 C ATOM 201 CZ TYR A 13 -17.869 3.062 -17.500 1.00 0.00 C ATOM 202 OH TYR A 13 -16.558 2.730 -17.672 1.00 0.00 O ATOM 0 H TYR A 13 -22.030 3.609 -19.417 1.00 0.00 H new ATOM 0 HA TYR A 13 -23.002 2.204 -17.029 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -22.191 5.106 -17.364 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -22.236 4.161 -15.888 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -20.968 1.652 -17.458 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -19.850 5.759 -16.873 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -18.582 1.046 -17.771 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -17.465 5.155 -17.187 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.003 3.534 -17.589 1.00 0.00 H new ATOM 212 N TYR A 14 -25.261 3.047 -18.459 1.00 0.00 N ATOM 213 CA TYR A 14 -26.590 3.572 -18.711 1.00 0.00 C ATOM 214 C TYR A 14 -26.488 4.977 -19.292 1.00 0.00 C ATOM 215 O TYR A 14 -27.121 5.905 -18.793 1.00 0.00 O ATOM 216 CB TYR A 14 -27.383 3.587 -17.399 1.00 0.00 C ATOM 217 CG TYR A 14 -28.880 3.621 -17.612 1.00 0.00 C ATOM 218 CD1 TYR A 14 -29.472 2.766 -18.550 1.00 0.00 C ATOM 219 CD2 TYR A 14 -29.672 4.507 -16.871 1.00 0.00 C ATOM 220 CE1 TYR A 14 -30.859 2.797 -18.748 1.00 0.00 C ATOM 221 CE2 TYR A 14 -31.059 4.538 -17.069 1.00 0.00 C ATOM 222 CZ TYR A 14 -31.652 3.683 -18.007 1.00 0.00 C ATOM 223 OH TYR A 14 -33.001 3.714 -18.200 1.00 0.00 O ATOM 0 H TYR A 14 -25.062 2.162 -18.925 1.00 0.00 H new ATOM 0 HA TYR A 14 -27.107 2.938 -19.431 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -27.125 2.704 -16.815 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -27.086 4.456 -16.811 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -28.860 2.083 -19.120 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -29.214 5.166 -16.148 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -31.316 2.138 -19.471 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -31.671 5.221 -16.498 1.00 0.00 H new ATOM 0 HH TYR A 14 -33.401 4.383 -17.606 1.00 0.00 H new ATOM 233 N LEU A 15 -25.669 5.132 -20.334 1.00 0.00 N ATOM 234 CA LEU A 15 -25.549 6.404 -21.026 1.00 0.00 C ATOM 235 C LEU A 15 -26.221 6.309 -22.390 1.00 0.00 C ATOM 236 O LEU A 15 -25.906 5.416 -23.174 1.00 0.00 O ATOM 237 CB LEU A 15 -24.070 6.758 -21.176 1.00 0.00 C ATOM 238 CG LEU A 15 -23.921 8.272 -21.296 1.00 0.00 C ATOM 239 CD1 LEU A 15 -22.457 8.657 -21.101 1.00 0.00 C ATOM 240 CD2 LEU A 15 -24.385 8.721 -22.678 1.00 0.00 C ATOM 0 H LEU A 15 -25.082 4.389 -20.713 1.00 0.00 H new ATOM 0 HA LEU A 15 -26.042 7.188 -20.452 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -23.508 6.393 -20.316 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -23.655 6.270 -22.058 1.00 0.00 H new ATOM 0 HG LEU A 15 -24.529 8.758 -20.533 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -22.351 9.738 -21.187 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -22.125 8.337 -20.113 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -21.848 8.171 -21.863 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -24.279 9.802 -22.764 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -23.778 8.235 -23.441 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -25.431 8.447 -22.818 1.00 0.00 H new ATOM 252 N ASP A 16 -27.230 7.153 -22.619 1.00 0.00 N ATOM 253 CA ASP A 16 -28.015 7.092 -23.838 1.00 0.00 C ATOM 254 C ASP A 16 -27.545 8.170 -24.808 1.00 0.00 C ATOM 255 O ASP A 16 -27.748 9.356 -24.558 1.00 0.00 O ATOM 256 CB ASP A 16 -29.494 7.282 -23.496 1.00 0.00 C ATOM 257 CG ASP A 16 -30.247 5.962 -23.609 1.00 0.00 C ATOM 258 OD1 ASP A 16 -29.917 5.203 -24.547 1.00 0.00 O ATOM 259 OD2 ASP A 16 -31.221 5.800 -22.843 1.00 0.00 O ATOM 0 H ASP A 16 -27.517 7.886 -21.970 1.00 0.00 H new ATOM 0 HA ASP A 16 -27.884 6.120 -24.314 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -29.591 7.676 -22.484 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -29.936 8.017 -24.168 1.00 0.00 H new ATOM 264 N CYS A 17 -27.012 7.748 -25.957 1.00 0.00 N ATOM 265 CA CYS A 17 -26.658 8.675 -27.017 1.00 0.00 C ATOM 266 C CYS A 17 -27.914 9.351 -27.552 1.00 0.00 C ATOM 267 O CYS A 17 -29.025 8.981 -27.181 1.00 0.00 O ATOM 268 CB CYS A 17 -25.938 7.911 -28.133 1.00 0.00 C ATOM 269 SG CYS A 17 -26.163 8.637 -29.782 1.00 0.00 S ATOM 0 H CYS A 17 -26.819 6.769 -26.170 1.00 0.00 H new ATOM 0 HA CYS A 17 -25.993 9.446 -26.628 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -24.873 7.873 -27.905 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -26.298 6.882 -28.147 1.00 0.00 H new ATOM 0 HG CYS A 17 -27.092 7.988 -30.419 1.00 0.00 H new ATOM 274 N CYS A 18 -27.727 10.434 -28.311 1.00 0.00 N ATOM 275 CA CYS A 18 -28.842 11.154 -28.899 1.00 0.00 C ATOM 276 C CYS A 18 -29.058 10.684 -30.332 1.00 0.00 C ATOM 277 O CYS A 18 -28.113 10.650 -31.118 1.00 0.00 O ATOM 278 CB CYS A 18 -28.541 12.656 -28.865 1.00 0.00 C ATOM 279 SG CYS A 18 -28.834 13.430 -27.249 1.00 0.00 S ATOM 0 H CYS A 18 -26.811 10.826 -28.528 1.00 0.00 H new ATOM 0 HA CYS A 18 -29.752 10.960 -28.331 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -27.501 12.814 -29.149 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -29.156 13.157 -29.613 1.00 0.00 H new ATOM 0 HG CYS A 18 -27.936 14.346 -27.037 1.00 0.00 H new ATOM 284 N GLU A 19 -30.241 10.126 -30.603 1.00 0.00 N ATOM 285 CA GLU A 19 -30.566 9.640 -31.932 1.00 0.00 C ATOM 286 C GLU A 19 -30.549 10.803 -32.918 1.00 0.00 C ATOM 287 O GLU A 19 -30.872 11.928 -32.535 1.00 0.00 O ATOM 288 CB GLU A 19 -31.942 8.976 -31.903 1.00 0.00 C ATOM 289 CG GLU A 19 -33.018 10.042 -31.702 1.00 0.00 C ATOM 290 CD GLU A 19 -34.408 9.417 -31.717 1.00 0.00 C ATOM 291 OE1 GLU A 19 -34.828 8.998 -32.816 1.00 0.00 O ATOM 292 OE2 GLU A 19 -35.011 9.350 -30.624 1.00 0.00 O ATOM 0 H GLU A 19 -30.984 10.003 -29.915 1.00 0.00 H new ATOM 0 HA GLU A 19 -29.828 8.904 -32.251 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -32.118 8.438 -32.835 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -31.987 8.243 -31.098 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -32.855 10.555 -30.754 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -32.944 10.793 -32.488 1.00 0.00 H new ATOM 299 N PRO A 20 -29.926 10.598 -34.076 1.00 0.00 N ATOM 300 CA PRO A 20 -29.632 9.245 -34.562 1.00 0.00 C ATOM 301 C PRO A 20 -28.277 8.808 -34.037 1.00 0.00 C ATOM 302 O PRO A 20 -27.617 9.540 -33.302 1.00 0.00 O ATOM 303 CB PRO A 20 -29.648 9.317 -36.098 1.00 0.00 C ATOM 304 CG PRO A 20 -29.882 10.788 -36.477 1.00 0.00 C ATOM 305 CD PRO A 20 -29.950 11.585 -35.162 1.00 0.00 C ATOM 0 HA PRO A 20 -30.364 8.515 -34.217 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -28.705 8.958 -36.511 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -30.436 8.684 -36.505 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -29.075 11.156 -37.110 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -30.807 10.898 -37.043 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -29.108 12.272 -35.081 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -30.858 12.187 -35.119 1.00 0.00 H new ATOM 313 N LEU A 21 -27.903 7.562 -34.339 1.00 0.00 N ATOM 314 CA LEU A 21 -26.666 6.984 -33.857 1.00 0.00 C ATOM 315 C LEU A 21 -26.767 6.707 -32.359 1.00 0.00 C ATOM 316 O LEU A 21 -27.662 7.238 -31.701 1.00 0.00 O ATOM 317 CB LEU A 21 -25.501 7.924 -34.158 1.00 0.00 C ATOM 318 CG LEU A 21 -25.566 8.361 -35.619 1.00 0.00 C ATOM 319 CD1 LEU A 21 -25.418 9.878 -35.703 1.00 0.00 C ATOM 320 CD2 LEU A 21 -24.437 7.694 -36.400 1.00 0.00 C ATOM 0 H LEU A 21 -28.455 6.934 -34.924 1.00 0.00 H new ATOM 0 HA LEU A 21 -26.487 6.038 -34.369 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -25.544 8.795 -33.504 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -24.554 7.422 -33.959 1.00 0.00 H new ATOM 0 HG LEU A 21 -26.525 8.066 -36.045 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -25.464 10.191 -36.746 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -26.225 10.354 -35.145 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.459 10.174 -35.278 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -24.483 8.006 -37.443 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -23.477 7.988 -35.975 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -24.543 6.611 -36.340 1.00 0.00 H new ATOM 332 N GLU A 22 -26.048 5.677 -31.901 1.00 0.00 N ATOM 333 CA GLU A 22 -26.227 5.158 -30.556 1.00 0.00 C ATOM 334 C GLU A 22 -24.882 5.122 -29.838 1.00 0.00 C ATOM 335 O GLU A 22 -24.103 6.069 -29.962 1.00 0.00 O ATOM 336 CB GLU A 22 -26.842 3.762 -30.636 1.00 0.00 C ATOM 337 CG GLU A 22 -27.910 3.616 -29.554 1.00 0.00 C ATOM 338 CD GLU A 22 -28.560 2.240 -29.617 1.00 0.00 C ATOM 339 OE1 GLU A 22 -27.832 1.285 -29.965 1.00 0.00 O ATOM 340 OE2 GLU A 22 -29.782 2.179 -29.361 1.00 0.00 O ATOM 0 H GLU A 22 -25.338 5.191 -32.448 1.00 0.00 H new ATOM 0 HA GLU A 22 -26.898 5.804 -29.991 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -27.282 3.602 -31.620 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -26.070 3.004 -30.505 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -27.462 3.767 -28.572 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -28.669 4.388 -29.680 1.00 0.00 H new ATOM 347 N CYS A 23 -24.717 4.158 -28.927 1.00 0.00 N ATOM 348 CA CYS A 23 -23.604 4.190 -27.988 1.00 0.00 C ATOM 349 C CYS A 23 -23.344 2.785 -27.457 1.00 0.00 C ATOM 350 O CYS A 23 -24.218 2.217 -26.800 1.00 0.00 O ATOM 351 CB CYS A 23 -23.961 5.147 -26.846 1.00 0.00 C ATOM 352 SG CYS A 23 -22.603 5.459 -25.683 1.00 0.00 S ATOM 0 H CYS A 23 -25.337 3.355 -28.824 1.00 0.00 H new ATOM 0 HA CYS A 23 -22.697 4.540 -28.481 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -24.285 6.097 -27.271 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -24.808 4.738 -26.296 1.00 0.00 H new ATOM 0 HG CYS A 23 -23.004 6.280 -24.758 1.00 0.00 H new ATOM 357 N LYS A 24 -22.289 2.142 -27.965 1.00 0.00 N ATOM 358 CA LYS A 24 -22.060 0.732 -27.700 1.00 0.00 C ATOM 359 C LYS A 24 -20.646 0.344 -28.115 1.00 0.00 C ATOM 360 O LYS A 24 -20.031 1.040 -28.922 1.00 0.00 O ATOM 361 CB LYS A 24 -23.092 -0.097 -28.464 1.00 0.00 C ATOM 362 CG LYS A 24 -23.658 -1.175 -27.544 1.00 0.00 C ATOM 363 CD LYS A 24 -24.851 -1.846 -28.218 1.00 0.00 C ATOM 364 CE LYS A 24 -25.655 -2.620 -27.174 1.00 0.00 C ATOM 365 NZ LYS A 24 -27.047 -2.806 -27.616 1.00 0.00 N ATOM 0 H LYS A 24 -21.586 2.580 -28.560 1.00 0.00 H new ATOM 0 HA LYS A 24 -22.166 0.538 -26.633 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -23.895 0.545 -28.826 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -22.631 -0.555 -29.339 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -22.890 -1.915 -27.319 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -23.964 -0.734 -26.595 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -25.482 -1.096 -28.696 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -24.508 -2.521 -29.002 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -25.192 -3.591 -26.999 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -25.639 -2.083 -26.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -27.574 -3.334 -26.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -27.493 -1.877 -27.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -27.059 -3.338 -28.509 1.00 0.00 H new ATOM 379 N LYS A 25 -20.242 -0.880 -27.762 1.00 0.00 N ATOM 380 CA LYS A 25 -18.981 -1.432 -28.224 1.00 0.00 C ATOM 381 C LYS A 25 -19.104 -1.835 -29.690 1.00 0.00 C ATOM 382 O LYS A 25 -19.823 -2.784 -30.004 1.00 0.00 O ATOM 383 CB LYS A 25 -18.616 -2.641 -27.364 1.00 0.00 C ATOM 384 CG LYS A 25 -18.323 -2.182 -25.938 1.00 0.00 C ATOM 385 CD LYS A 25 -19.069 -3.077 -24.952 1.00 0.00 C ATOM 386 CE LYS A 25 -18.144 -3.435 -23.790 1.00 0.00 C ATOM 387 NZ LYS A 25 -18.268 -2.453 -22.699 1.00 0.00 N ATOM 0 H LYS A 25 -20.777 -1.503 -27.156 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.194 -0.683 -28.135 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.434 -3.361 -27.365 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.745 -3.147 -27.781 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -17.251 -2.224 -25.744 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.630 -1.144 -25.808 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.957 -2.566 -24.580 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.409 -3.983 -25.453 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.388 -4.430 -23.419 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.112 -3.469 -24.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.631 -2.716 -21.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.012 -1.509 -23.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -19.249 -2.440 -22.354 1.00 0.00 H new ATOM 401 N VAL A 26 -18.251 -1.258 -30.540 1.00 0.00 N ATOM 402 CA VAL A 26 -18.133 -1.702 -31.919 1.00 0.00 C ATOM 403 C VAL A 26 -17.249 -2.944 -31.980 1.00 0.00 C ATOM 404 O VAL A 26 -17.501 -3.834 -32.791 1.00 0.00 O ATOM 405 CB VAL A 26 -17.544 -0.575 -32.765 1.00 0.00 C ATOM 406 CG1 VAL A 26 -17.782 -0.870 -34.243 1.00 0.00 C ATOM 407 CG2 VAL A 26 -18.218 0.744 -32.395 1.00 0.00 C ATOM 0 H VAL A 26 -17.635 -0.484 -30.292 1.00 0.00 H new ATOM 0 HA VAL A 26 -19.116 -1.957 -32.314 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.473 -0.502 -32.577 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -17.362 -0.066 -34.847 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.302 -1.812 -34.508 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -18.853 -0.943 -34.431 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -17.798 1.549 -32.998 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -19.289 0.670 -32.583 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -18.048 0.956 -31.339 1.00 0.00 H new ATOM 417 N ASN A 27 -16.376 -3.098 -30.980 1.00 0.00 N ATOM 418 CA ASN A 27 -15.625 -4.329 -30.808 1.00 0.00 C ATOM 419 C ASN A 27 -15.244 -4.494 -29.342 1.00 0.00 C ATOM 420 O ASN A 27 -15.747 -3.770 -28.486 1.00 0.00 O ATOM 421 CB ASN A 27 -14.378 -4.287 -31.692 1.00 0.00 C ATOM 422 CG ASN A 27 -14.208 -5.600 -32.447 1.00 0.00 C ATOM 423 OD1 ASN A 27 -13.094 -6.106 -32.569 1.00 0.00 O ATOM 424 ND2 ASN A 27 -15.300 -6.098 -33.031 1.00 0.00 N ATOM 0 H ASN A 27 -16.177 -2.382 -30.282 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.235 -5.182 -31.104 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.456 -3.462 -32.400 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.497 -4.098 -31.078 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.232 -6.935 -33.609 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -16.202 -5.641 -32.899 1.00 0.00 H new ATOM 431 N TRP A 28 -14.386 -5.475 -29.054 1.00 0.00 N ATOM 432 CA TRP A 28 -14.023 -5.791 -27.685 1.00 0.00 C ATOM 433 C TRP A 28 -12.894 -4.877 -27.224 1.00 0.00 C ATOM 434 O TRP A 28 -12.872 -4.463 -26.066 1.00 0.00 O ATOM 435 CB TRP A 28 -13.593 -7.261 -27.603 1.00 0.00 C ATOM 436 CG TRP A 28 -14.715 -8.245 -27.739 1.00 0.00 C ATOM 437 CD1 TRP A 28 -15.979 -7.951 -28.091 1.00 0.00 C ATOM 438 CD2 TRP A 28 -14.681 -9.692 -27.527 1.00 0.00 C ATOM 439 NE1 TRP A 28 -16.674 -9.124 -28.314 1.00 0.00 N ATOM 440 CE2 TRP A 28 -15.932 -10.228 -27.937 1.00 0.00 C ATOM 441 CE3 TRP A 28 -13.720 -10.602 -27.061 1.00 0.00 C ATOM 442 CZ2 TRP A 28 -16.210 -11.599 -27.875 1.00 0.00 C ATOM 443 CZ3 TRP A 28 -13.982 -11.977 -27.000 1.00 0.00 C ATOM 444 CH2 TRP A 28 -15.228 -12.480 -27.400 1.00 0.00 C ATOM 0 H TRP A 28 -13.933 -6.060 -29.756 1.00 0.00 H new ATOM 0 HA TRP A 28 -14.881 -5.634 -27.031 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -12.859 -7.456 -28.385 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -13.094 -7.428 -26.648 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -16.387 -6.955 -28.185 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -17.614 -9.170 -28.707 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.756 -10.234 -26.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -17.172 -11.975 -28.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -13.220 -12.653 -26.643 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.430 -13.539 -27.343 1.00 0.00 H new ATOM 455 N TRP A 29 -12.057 -4.442 -28.169 1.00 0.00 N ATOM 456 CA TRP A 29 -11.056 -3.428 -27.889 1.00 0.00 C ATOM 457 C TRP A 29 -11.537 -2.075 -28.402 1.00 0.00 C ATOM 458 O TRP A 29 -10.724 -1.286 -28.884 1.00 0.00 O ATOM 459 CB TRP A 29 -9.738 -3.821 -28.567 1.00 0.00 C ATOM 460 CG TRP A 29 -8.964 -4.888 -27.852 1.00 0.00 C ATOM 461 CD1 TRP A 29 -9.076 -6.211 -28.065 1.00 0.00 C ATOM 462 CD2 TRP A 29 -7.951 -4.731 -26.809 1.00 0.00 C ATOM 463 NE1 TRP A 29 -8.364 -6.890 -27.097 1.00 0.00 N ATOM 464 CE2 TRP A 29 -7.613 -6.023 -26.323 1.00 0.00 C ATOM 465 CE3 TRP A 29 -7.307 -3.637 -26.210 1.00 0.00 C ATOM 466 CZ2 TRP A 29 -6.674 -6.213 -25.302 1.00 0.00 C ATOM 467 CZ3 TRP A 29 -6.371 -3.811 -25.182 1.00 0.00 C ATOM 468 CH2 TRP A 29 -6.047 -5.098 -24.728 1.00 0.00 C ATOM 0 H TRP A 29 -12.058 -4.780 -29.131 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.895 -3.354 -26.814 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -9.953 -4.163 -29.580 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.111 -2.934 -28.656 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -9.635 -6.670 -28.867 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.388 -7.902 -26.969 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.538 -2.638 -26.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.435 -7.209 -24.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.896 -2.949 -24.737 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.319 -5.229 -23.941 1.00 0.00 H new ATOM 479 N ASP A 30 -12.860 -1.920 -28.521 1.00 0.00 N ATOM 480 CA ASP A 30 -13.426 -0.779 -29.220 1.00 0.00 C ATOM 481 C ASP A 30 -14.589 -0.203 -28.421 1.00 0.00 C ATOM 482 O ASP A 30 -15.336 -0.950 -27.791 1.00 0.00 O ATOM 483 CB ASP A 30 -13.886 -1.213 -30.611 1.00 0.00 C ATOM 484 CG ASP A 30 -13.313 -0.294 -31.684 1.00 0.00 C ATOM 485 OD1 ASP A 30 -12.964 0.850 -31.323 1.00 0.00 O ATOM 486 OD2 ASP A 30 -13.286 -0.738 -32.852 1.00 0.00 O ATOM 0 H ASP A 30 -13.549 -2.570 -28.142 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.668 -0.003 -29.327 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.571 -2.239 -30.799 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.975 -1.200 -30.659 1.00 0.00 H new ATOM 491 N HIS A 31 -14.875 1.083 -28.641 1.00 0.00 N ATOM 492 CA HIS A 31 -16.026 1.729 -28.037 1.00 0.00 C ATOM 493 C HIS A 31 -16.366 2.993 -28.822 1.00 0.00 C ATOM 494 O HIS A 31 -15.454 3.739 -29.183 1.00 0.00 O ATOM 495 CB HIS A 31 -15.702 2.070 -26.581 1.00 0.00 C ATOM 496 CG HIS A 31 -15.163 0.885 -25.819 1.00 0.00 C ATOM 497 ND1 HIS A 31 -13.827 0.522 -25.886 1.00 0.00 N ATOM 498 CD2 HIS A 31 -15.802 -0.165 -25.199 1.00 0.00 C ATOM 499 CE1 HIS A 31 -13.742 -0.764 -25.510 1.00 0.00 C ATOM 500 NE2 HIS A 31 -14.890 -1.201 -24.985 1.00 0.00 N ATOM 0 H HIS A 31 -14.317 1.694 -29.238 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.887 1.061 -28.060 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -14.972 2.879 -26.554 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -16.602 2.437 -26.088 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -16.846 -0.185 -24.921 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.855 -1.370 -25.619 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -15.063 -2.096 -24.528 1.00 0.00 H new ATOM 508 N LYS A 32 -17.607 3.075 -29.312 1.00 0.00 N ATOM 509 CA LYS A 32 -17.973 4.100 -30.274 1.00 0.00 C ATOM 510 C LYS A 32 -19.491 4.166 -30.416 1.00 0.00 C ATOM 511 O LYS A 32 -20.158 3.141 -30.270 1.00 0.00 O ATOM 512 CB LYS A 32 -17.319 3.785 -31.619 1.00 0.00 C ATOM 513 CG LYS A 32 -16.233 4.816 -31.910 1.00 0.00 C ATOM 514 CD LYS A 32 -15.531 4.460 -33.218 1.00 0.00 C ATOM 515 CE LYS A 32 -14.870 5.711 -33.796 1.00 0.00 C ATOM 516 NZ LYS A 32 -15.884 6.669 -34.268 1.00 0.00 N ATOM 0 H LYS A 32 -18.366 2.444 -29.055 1.00 0.00 H new ATOM 0 HA LYS A 32 -17.621 5.071 -29.926 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.889 2.783 -31.601 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -18.068 3.796 -32.411 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.671 5.812 -31.979 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.512 4.841 -31.093 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.782 3.687 -33.043 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -16.249 4.053 -33.930 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.245 6.181 -33.037 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.214 5.433 -34.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.482 7.253 -35.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.710 6.150 -34.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.177 7.281 -33.480 1.00 0.00 H new ATOM 530 N CYS A 33 -19.983 5.280 -30.969 1.00 0.00 N ATOM 531 CA CYS A 33 -21.365 5.356 -31.416 1.00 0.00 C ATOM 532 C CYS A 33 -21.595 4.342 -32.530 1.00 0.00 C ATOM 533 O CYS A 33 -20.645 3.750 -33.038 1.00 0.00 O ATOM 534 CB CYS A 33 -21.662 6.775 -31.906 1.00 0.00 C ATOM 535 SG CYS A 33 -22.165 7.921 -30.592 1.00 0.00 S ATOM 0 H CYS A 33 -19.443 6.133 -31.114 1.00 0.00 H new ATOM 0 HA CYS A 33 -22.037 5.123 -30.590 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -20.774 7.171 -32.399 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -22.451 6.731 -32.657 1.00 0.00 H new ATOM 0 HG CYS A 33 -23.211 7.449 -29.982 1.00 0.00 H new ATOM 540 N ILE A 34 -22.852 4.198 -32.955 1.00 0.00 N ATOM 541 CA ILE A 34 -23.203 3.228 -33.976 1.00 0.00 C ATOM 542 C ILE A 34 -24.166 3.855 -34.979 1.00 0.00 C ATOM 543 O ILE A 34 -24.604 4.988 -34.787 1.00 0.00 O ATOM 544 CB ILE A 34 -23.829 2.003 -33.314 1.00 0.00 C ATOM 545 CG1 ILE A 34 -23.006 1.598 -32.097 1.00 0.00 C ATOM 546 CG2 ILE A 34 -23.883 0.850 -34.310 1.00 0.00 C ATOM 547 CD1 ILE A 34 -23.422 2.441 -30.894 1.00 0.00 C ATOM 0 H ILE A 34 -23.639 4.744 -32.604 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.307 2.918 -34.513 1.00 0.00 H new ATOM 0 HB ILE A 34 -24.842 2.246 -32.995 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.154 0.540 -31.881 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -21.944 1.736 -32.301 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -24.330 -0.022 -33.833 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -24.484 1.141 -35.171 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -22.873 0.605 -34.639 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.833 2.150 -30.025 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -23.251 3.495 -31.112 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -24.480 2.280 -30.685 1.00 0.00 H new ATOM 559 N GLY A 35 -24.294 3.224 -36.149 1.00 0.00 N ATOM 560 CA GLY A 35 -25.121 3.752 -37.216 1.00 0.00 C ATOM 561 C GLY A 35 -24.401 4.898 -37.914 1.00 0.00 C ATOM 562 O GLY A 35 -25.104 5.857 -38.300 1.00 0.00 O ATOM 563 OXT GLY A 35 -23.174 4.762 -38.109 1.00 0.00 O ATOM 0 H GLY A 35 -23.830 2.344 -36.374 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -25.350 2.964 -37.934 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -26.071 4.101 -36.812 1.00 0.00 H new TER 567 GLY A 35