USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 459 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 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 29 ASN : amide:sc= -0.422 K(o=-0.42,f=-3.3!) USER MOD Set 2.1: A 11 ASN : amide:sc= -3.9! C(o=-6.4!,f=-9!) USER MOD Set 2.2: A 64 HIS : no HE2:sc= -2.47 K(o=-6.4,f=-8.4!) USER MOD Single : A 1 VAL N :NH3+ -175:sc= 0.161 (180deg=0.111) USER MOD Single : A 5 TYR OH : rot -171:sc= -0.896 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000881) USER MOD Single : A 9 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.5!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 27 THR OG1 : rot -137:sc= 0.651 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0733 K(o=-0.073,f=-5.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -5.51! C(o=-5.5!,f=-3.9!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0246 USER MOD Single : A 54 ASN : amide:sc= -0.781 K(o=-0.78,f=-3.3!) USER MOD Single : A 62 LYS NZ :NH3+ 143:sc= -0.326 (180deg=-1.63!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.913 -12.965 -5.434 1.00 0.00 N ATOM 2 CA VAL A 1 -1.162 -11.881 -4.738 1.00 0.00 C ATOM 3 C VAL A 1 -1.290 -10.660 -5.680 1.00 0.00 C ATOM 4 O VAL A 1 -1.680 -10.874 -6.811 1.00 0.00 O ATOM 5 CB VAL A 1 0.352 -12.261 -4.585 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.549 -13.492 -3.736 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.021 -12.501 -5.920 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.950 -13.808 -4.825 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.880 -12.642 -5.637 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.433 -13.203 -6.325 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.550 -11.696 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 1 0.812 -11.402 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.613 -13.715 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.143 -13.316 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.034 -14.336 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.068 -12.761 -5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.519 -13.319 -6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.960 -11.597 -6.525 1.00 0.00 H new ATOM 19 N ARG A 2 -0.999 -9.449 -5.270 1.00 0.00 N ATOM 20 CA ARG A 2 -1.112 -8.279 -6.205 1.00 0.00 C ATOM 21 C ARG A 2 -0.080 -7.212 -5.864 1.00 0.00 C ATOM 22 O ARG A 2 0.656 -7.324 -4.903 1.00 0.00 O ATOM 23 CB ARG A 2 -2.550 -7.665 -6.144 1.00 0.00 C ATOM 24 CG ARG A 2 -2.979 -7.324 -4.709 1.00 0.00 C ATOM 25 CD ARG A 2 -3.535 -8.578 -4.035 1.00 0.00 C ATOM 26 NE ARG A 2 -4.240 -8.218 -2.770 1.00 0.00 N ATOM 27 CZ ARG A 2 -5.392 -8.738 -2.449 1.00 0.00 C ATOM 28 NH1 ARG A 2 -5.712 -9.921 -2.880 1.00 0.00 N ATOM 29 NH2 ARG A 2 -6.177 -8.046 -1.697 1.00 0.00 N ATOM 0 H ARG A 2 -0.687 -9.217 -4.327 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.922 -8.638 -7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.583 -6.763 -6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.262 -8.369 -6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.129 -6.941 -4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.734 -6.538 -4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.223 -9.087 -4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.724 -9.274 -3.822 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.808 -7.545 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.062 -10.442 -3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.613 -10.329 -2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.890 -7.123 -1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.086 -8.422 -1.426 1.00 0.00 H new ATOM 43 N ASP A 3 -0.064 -6.209 -6.679 1.00 0.00 N ATOM 44 CA ASP A 3 0.861 -5.072 -6.493 1.00 0.00 C ATOM 45 C ASP A 3 -0.271 -4.053 -6.408 1.00 0.00 C ATOM 46 O ASP A 3 -1.122 -4.003 -7.287 1.00 0.00 O ATOM 47 CB ASP A 3 1.755 -4.995 -7.738 1.00 0.00 C ATOM 48 CG ASP A 3 2.350 -6.402 -7.895 1.00 0.00 C ATOM 49 OD1 ASP A 3 3.374 -6.639 -7.283 1.00 0.00 O ATOM 50 OD2 ASP A 3 1.738 -7.184 -8.605 1.00 0.00 O ATOM 0 H ASP A 3 -0.673 -6.127 -7.493 1.00 0.00 H new ATOM 0 HA ASP A 3 1.586 -5.025 -5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.180 -4.710 -8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.539 -4.248 -7.614 1.00 0.00 H new ATOM 55 N ALA A 4 -0.242 -3.293 -5.345 1.00 0.00 N ATOM 56 CA ALA A 4 -1.280 -2.257 -5.086 1.00 0.00 C ATOM 57 C ALA A 4 -0.851 -1.428 -3.865 1.00 0.00 C ATOM 58 O ALA A 4 0.211 -1.630 -3.290 1.00 0.00 O ATOM 59 CB ALA A 4 -2.588 -2.944 -4.774 1.00 0.00 C ATOM 0 H ALA A 4 0.480 -3.351 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.396 -1.613 -5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.356 -2.195 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.886 -3.561 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.467 -3.573 -3.892 1.00 0.00 H new ATOM 65 N TYR A 5 -1.724 -0.513 -3.498 1.00 0.00 N ATOM 66 CA TYR A 5 -1.484 0.378 -2.328 1.00 0.00 C ATOM 67 C TYR A 5 -2.066 -0.507 -1.258 1.00 0.00 C ATOM 68 O TYR A 5 -3.193 -0.943 -1.398 1.00 0.00 O ATOM 69 CB TYR A 5 -2.307 1.615 -2.459 1.00 0.00 C ATOM 70 CG TYR A 5 -1.906 2.339 -3.730 1.00 0.00 C ATOM 71 CD1 TYR A 5 -0.618 2.804 -3.868 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.812 2.530 -4.748 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.235 3.456 -5.009 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.426 3.182 -5.894 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.137 3.644 -6.025 1.00 0.00 C ATOM 76 OH TYR A 5 -0.742 4.285 -7.173 1.00 0.00 O ATOM 0 H TYR A 5 -2.610 -0.349 -3.976 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.457 0.711 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.367 1.361 -2.488 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.157 2.261 -1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.095 2.654 -3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.824 2.168 -4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.776 3.822 -5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.136 3.332 -6.694 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.526 4.465 -7.733 1.00 0.00 H new ATOM 86 N ILE A 6 -1.331 -0.730 -0.216 1.00 0.00 N ATOM 87 CA ILE A 6 -1.902 -1.613 0.842 1.00 0.00 C ATOM 88 C ILE A 6 -2.889 -0.814 1.669 1.00 0.00 C ATOM 89 O ILE A 6 -2.746 0.381 1.854 1.00 0.00 O ATOM 90 CB ILE A 6 -0.735 -2.169 1.710 1.00 0.00 C ATOM 91 CG1 ILE A 6 -1.262 -2.975 2.933 1.00 0.00 C ATOM 92 CG2 ILE A 6 0.205 -1.087 2.182 1.00 0.00 C ATOM 93 CD1 ILE A 6 -0.980 -4.448 2.795 1.00 0.00 C ATOM 0 H ILE A 6 -0.396 -0.360 -0.046 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.435 -2.458 0.405 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.175 -2.839 1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.796 -2.599 3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.336 -2.818 3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.999 -1.531 2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.641 -0.582 1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.345 -0.365 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.363 -4.975 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.468 -4.829 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.096 -4.607 2.718 1.00 0.00 H new ATOM 105 N ALA A 7 -3.874 -1.515 2.158 1.00 0.00 N ATOM 106 CA ALA A 7 -4.921 -0.834 2.990 1.00 0.00 C ATOM 107 C ALA A 7 -4.456 -0.521 4.424 1.00 0.00 C ATOM 108 O ALA A 7 -3.352 -0.852 4.805 1.00 0.00 O ATOM 109 CB ALA A 7 -6.147 -1.706 3.076 1.00 0.00 C ATOM 0 H ALA A 7 -4.004 -2.518 2.023 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.134 0.113 2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.905 -1.209 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.539 -1.882 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.884 -2.659 3.535 1.00 0.00 H new ATOM 115 N LYS A 8 -5.318 0.113 5.177 1.00 0.00 N ATOM 116 CA LYS A 8 -4.986 0.469 6.585 1.00 0.00 C ATOM 117 C LYS A 8 -6.120 -0.025 7.492 1.00 0.00 C ATOM 118 O LYS A 8 -5.974 -0.950 8.266 1.00 0.00 O ATOM 119 CB LYS A 8 -4.820 1.986 6.604 1.00 0.00 C ATOM 120 CG LYS A 8 -3.637 2.469 7.472 1.00 0.00 C ATOM 121 CD LYS A 8 -3.949 2.504 8.989 1.00 0.00 C ATOM 122 CE LYS A 8 -3.880 3.980 9.483 1.00 0.00 C ATOM 123 NZ LYS A 8 -5.026 4.765 8.923 1.00 0.00 N ATOM 0 H LYS A 8 -6.247 0.401 4.871 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.070 0.005 6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.679 2.340 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.740 2.439 6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.782 1.815 7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.344 3.467 7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.938 2.088 9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.234 1.889 9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.907 4.009 10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.936 4.431 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.980 5.744 9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.972 4.765 7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.923 4.332 9.223 1.00 0.00 H new ATOM 137 N ASN A 9 -7.240 0.630 7.361 1.00 0.00 N ATOM 138 CA ASN A 9 -8.441 0.268 8.173 1.00 0.00 C ATOM 139 C ASN A 9 -9.730 0.345 7.322 1.00 0.00 C ATOM 140 O ASN A 9 -10.437 -0.635 7.224 1.00 0.00 O ATOM 141 CB ASN A 9 -8.485 1.236 9.387 1.00 0.00 C ATOM 142 CG ASN A 9 -9.270 0.619 10.557 1.00 0.00 C ATOM 143 OD1 ASN A 9 -10.365 1.034 10.858 1.00 0.00 O ATOM 144 ND2 ASN A 9 -8.757 -0.364 11.244 1.00 0.00 N ATOM 0 H ASN A 9 -7.378 1.410 6.719 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.376 -0.762 8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.470 1.468 9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.948 2.177 9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.278 -0.770 12.021 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.834 -0.727 11.004 1.00 0.00 H new ATOM 151 N TYR A 10 -10.013 1.478 6.713 1.00 0.00 N ATOM 152 CA TYR A 10 -11.249 1.636 5.881 1.00 0.00 C ATOM 153 C TYR A 10 -11.001 2.169 4.448 1.00 0.00 C ATOM 154 O TYR A 10 -11.389 3.248 4.021 1.00 0.00 O ATOM 155 CB TYR A 10 -12.231 2.564 6.646 1.00 0.00 C ATOM 156 CG TYR A 10 -13.148 1.754 7.610 1.00 0.00 C ATOM 157 CD1 TYR A 10 -12.686 1.254 8.810 1.00 0.00 C ATOM 158 CD2 TYR A 10 -14.468 1.511 7.271 1.00 0.00 C ATOM 159 CE1 TYR A 10 -13.514 0.529 9.649 1.00 0.00 C ATOM 160 CE2 TYR A 10 -15.298 0.784 8.112 1.00 0.00 C ATOM 161 CZ TYR A 10 -14.828 0.287 9.308 1.00 0.00 C ATOM 162 OH TYR A 10 -15.654 -0.433 10.151 1.00 0.00 O ATOM 0 H TYR A 10 -9.427 2.312 6.760 1.00 0.00 H new ATOM 0 HA TYR A 10 -11.669 0.641 5.735 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.667 3.303 7.214 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -12.846 3.112 5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -11.661 1.431 9.100 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.857 1.893 6.339 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -13.126 0.148 10.582 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.324 0.606 7.826 1.00 0.00 H new ATOM 0 HH TYR A 10 -16.546 -0.506 9.752 1.00 0.00 H new ATOM 172 N ASN A 11 -10.312 1.324 3.726 1.00 0.00 N ATOM 173 CA ASN A 11 -9.964 1.626 2.287 1.00 0.00 C ATOM 174 C ASN A 11 -9.015 2.825 2.209 1.00 0.00 C ATOM 175 O ASN A 11 -9.106 3.674 1.339 1.00 0.00 O ATOM 176 CB ASN A 11 -11.303 1.880 1.586 1.00 0.00 C ATOM 177 CG ASN A 11 -11.482 1.372 0.185 1.00 0.00 C ATOM 178 OD1 ASN A 11 -12.584 1.443 -0.306 1.00 0.00 O ATOM 179 ND2 ASN A 11 -10.503 0.872 -0.490 1.00 0.00 N ATOM 0 H ASN A 11 -9.968 0.426 4.067 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.434 0.807 1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.089 1.441 2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.472 2.957 1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.658 0.536 -1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.574 0.813 -0.073 1.00 0.00 H new ATOM 186 N CYS A 12 -8.118 2.811 3.155 1.00 0.00 N ATOM 187 CA CYS A 12 -7.069 3.853 3.321 1.00 0.00 C ATOM 188 C CYS A 12 -5.732 3.125 3.297 1.00 0.00 C ATOM 189 O CYS A 12 -5.734 1.914 3.332 1.00 0.00 O ATOM 190 CB CYS A 12 -7.343 4.515 4.642 1.00 0.00 C ATOM 191 SG CYS A 12 -8.958 5.314 4.723 1.00 0.00 S ATOM 0 H CYS A 12 -8.070 2.075 3.859 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.059 4.617 2.543 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.275 3.770 5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.569 5.257 4.835 1.00 0.00 H new ATOM 196 N VAL A 13 -4.648 3.845 3.257 1.00 0.00 N ATOM 197 CA VAL A 13 -3.286 3.217 3.211 1.00 0.00 C ATOM 198 C VAL A 13 -2.345 3.753 4.303 1.00 0.00 C ATOM 199 O VAL A 13 -2.782 4.424 5.217 1.00 0.00 O ATOM 200 CB VAL A 13 -2.716 3.512 1.801 1.00 0.00 C ATOM 201 CG1 VAL A 13 -3.659 3.011 0.739 1.00 0.00 C ATOM 202 CG2 VAL A 13 -2.660 5.006 1.615 1.00 0.00 C ATOM 0 H VAL A 13 -4.642 4.865 3.254 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.367 2.147 3.400 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.740 3.034 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.245 3.226 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.793 1.935 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.623 3.509 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.261 5.235 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.663 5.422 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.015 5.444 2.377 1.00 0.00 H new ATOM 212 N TYR A 14 -1.087 3.432 4.145 1.00 0.00 N ATOM 213 CA TYR A 14 0.005 3.839 5.055 1.00 0.00 C ATOM 214 C TYR A 14 0.662 4.981 4.288 1.00 0.00 C ATOM 215 O TYR A 14 1.449 4.763 3.383 1.00 0.00 O ATOM 216 CB TYR A 14 0.939 2.668 5.218 1.00 0.00 C ATOM 217 CG TYR A 14 0.278 1.687 6.208 1.00 0.00 C ATOM 218 CD1 TYR A 14 0.383 1.876 7.576 1.00 0.00 C ATOM 219 CD2 TYR A 14 -0.456 0.612 5.744 1.00 0.00 C ATOM 220 CE1 TYR A 14 -0.238 1.005 8.454 1.00 0.00 C ATOM 221 CE2 TYR A 14 -1.073 -0.251 6.622 1.00 0.00 C ATOM 222 CZ TYR A 14 -0.970 -0.063 7.976 1.00 0.00 C ATOM 223 OH TYR A 14 -1.598 -0.937 8.838 1.00 0.00 O ATOM 0 H TYR A 14 -0.762 2.864 3.363 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.304 4.140 6.056 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.118 2.183 4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.907 2.998 5.594 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.953 2.709 7.960 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.547 0.447 4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.149 1.162 9.519 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.644 -1.084 6.240 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.067 -1.626 8.322 1.00 0.00 H new ATOM 233 N GLU A 15 0.307 6.178 4.664 1.00 0.00 N ATOM 234 CA GLU A 15 0.903 7.336 3.959 1.00 0.00 C ATOM 235 C GLU A 15 2.361 7.456 4.457 1.00 0.00 C ATOM 236 O GLU A 15 2.677 8.191 5.373 1.00 0.00 O ATOM 237 CB GLU A 15 0.047 8.579 4.300 1.00 0.00 C ATOM 238 CG GLU A 15 0.117 9.605 3.127 1.00 0.00 C ATOM 239 CD GLU A 15 -1.274 9.828 2.474 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.176 10.130 3.239 1.00 0.00 O ATOM 241 OE2 GLU A 15 -1.381 9.691 1.260 1.00 0.00 O ATOM 0 H GLU A 15 -0.353 6.398 5.410 1.00 0.00 H new ATOM 0 HA GLU A 15 0.916 7.231 2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.987 8.283 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.407 9.039 5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.501 10.555 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.820 9.249 2.374 1.00 0.00 H new ATOM 248 N CYS A 16 3.204 6.686 3.819 1.00 0.00 N ATOM 249 CA CYS A 16 4.659 6.650 4.153 1.00 0.00 C ATOM 250 C CYS A 16 5.497 7.482 3.186 1.00 0.00 C ATOM 251 O CYS A 16 5.129 7.679 2.048 1.00 0.00 O ATOM 252 CB CYS A 16 5.082 5.185 4.111 1.00 0.00 C ATOM 253 SG CYS A 16 4.804 4.242 2.594 1.00 0.00 S ATOM 0 H CYS A 16 2.935 6.062 3.058 1.00 0.00 H new ATOM 0 HA CYS A 16 4.824 7.086 5.138 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.148 5.143 4.335 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.565 4.669 4.920 1.00 0.00 H new ATOM 258 N PHE A 17 6.612 7.939 3.700 1.00 0.00 N ATOM 259 CA PHE A 17 7.581 8.781 2.921 1.00 0.00 C ATOM 260 C PHE A 17 8.974 8.137 3.017 1.00 0.00 C ATOM 261 O PHE A 17 9.974 8.769 2.735 1.00 0.00 O ATOM 262 CB PHE A 17 7.619 10.200 3.524 1.00 0.00 C ATOM 263 CG PHE A 17 6.913 11.280 2.681 1.00 0.00 C ATOM 264 CD1 PHE A 17 7.463 11.704 1.482 1.00 0.00 C ATOM 265 CD2 PHE A 17 5.732 11.859 3.117 1.00 0.00 C ATOM 266 CE1 PHE A 17 6.840 12.690 0.735 1.00 0.00 C ATOM 267 CE2 PHE A 17 5.114 12.843 2.370 1.00 0.00 C ATOM 268 CZ PHE A 17 5.667 13.260 1.178 1.00 0.00 C ATOM 0 H PHE A 17 6.902 7.758 4.661 1.00 0.00 H new ATOM 0 HA PHE A 17 7.275 8.845 1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.159 10.172 4.512 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.660 10.492 3.665 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.383 11.263 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.291 11.538 4.049 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.276 13.013 -0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.194 13.287 2.721 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.183 14.029 0.595 1.00 0.00 H new ATOM 278 N ARG A 18 9.009 6.894 3.420 1.00 0.00 N ATOM 279 CA ARG A 18 10.329 6.191 3.550 1.00 0.00 C ATOM 280 C ARG A 18 10.261 4.784 3.024 1.00 0.00 C ATOM 281 O ARG A 18 9.932 3.886 3.780 1.00 0.00 O ATOM 282 CB ARG A 18 10.789 6.087 5.022 1.00 0.00 C ATOM 283 CG ARG A 18 10.618 7.413 5.742 1.00 0.00 C ATOM 284 CD ARG A 18 11.594 8.517 5.237 1.00 0.00 C ATOM 285 NE ARG A 18 12.955 8.304 5.851 1.00 0.00 N ATOM 286 CZ ARG A 18 14.055 8.803 5.346 1.00 0.00 C ATOM 287 NH1 ARG A 18 14.034 9.372 4.173 1.00 0.00 N ATOM 288 NH2 ARG A 18 15.138 8.702 6.059 1.00 0.00 N ATOM 0 H ARG A 18 8.191 6.335 3.664 1.00 0.00 H new ATOM 0 HA ARG A 18 11.032 6.791 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.213 5.315 5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.835 5.782 5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.592 7.758 5.614 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.773 7.261 6.810 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.665 8.485 4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.214 9.503 5.503 1.00 0.00 H new ATOM 0 HE ARG A 18 13.022 7.744 6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.161 9.428 3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.891 9.761 3.779 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.107 8.248 6.972 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.018 9.077 5.705 1.00 0.00 H new ATOM 302 N ASP A 19 10.571 4.630 1.769 1.00 0.00 N ATOM 303 CA ASP A 19 10.555 3.293 1.110 1.00 0.00 C ATOM 304 C ASP A 19 10.766 2.154 2.109 1.00 0.00 C ATOM 305 O ASP A 19 10.041 1.186 2.169 1.00 0.00 O ATOM 306 CB ASP A 19 11.650 3.269 0.057 1.00 0.00 C ATOM 307 CG ASP A 19 11.181 2.435 -1.149 1.00 0.00 C ATOM 308 OD1 ASP A 19 10.039 2.648 -1.515 1.00 0.00 O ATOM 309 OD2 ASP A 19 11.972 1.651 -1.648 1.00 0.00 O ATOM 0 H ASP A 19 10.843 5.397 1.154 1.00 0.00 H new ATOM 0 HA ASP A 19 9.576 3.139 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.888 4.285 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.562 2.843 0.475 1.00 0.00 H new ATOM 314 N SER A 20 11.796 2.335 2.892 1.00 0.00 N ATOM 315 CA SER A 20 12.188 1.341 3.948 1.00 0.00 C ATOM 316 C SER A 20 10.949 0.819 4.698 1.00 0.00 C ATOM 317 O SER A 20 10.665 -0.363 4.703 1.00 0.00 O ATOM 318 CB SER A 20 13.166 2.033 4.951 1.00 0.00 C ATOM 319 OG SER A 20 13.620 1.024 5.845 1.00 0.00 O ATOM 0 H SER A 20 12.403 3.154 2.846 1.00 0.00 H new ATOM 0 HA SER A 20 12.677 0.490 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.004 2.487 4.423 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.661 2.832 5.494 1.00 0.00 H new ATOM 0 HG SER A 20 14.241 1.417 6.494 1.00 0.00 H new ATOM 325 N TYR A 21 10.258 1.760 5.299 1.00 0.00 N ATOM 326 CA TYR A 21 9.025 1.471 6.089 1.00 0.00 C ATOM 327 C TYR A 21 8.224 0.455 5.308 1.00 0.00 C ATOM 328 O TYR A 21 7.781 -0.542 5.837 1.00 0.00 O ATOM 329 CB TYR A 21 8.221 2.769 6.265 1.00 0.00 C ATOM 330 CG TYR A 21 7.094 2.548 7.285 1.00 0.00 C ATOM 331 CD1 TYR A 21 7.353 2.650 8.639 1.00 0.00 C ATOM 332 CD2 TYR A 21 5.815 2.245 6.861 1.00 0.00 C ATOM 333 CE1 TYR A 21 6.346 2.452 9.556 1.00 0.00 C ATOM 334 CE2 TYR A 21 4.808 2.047 7.779 1.00 0.00 C ATOM 335 CZ TYR A 21 5.069 2.152 9.130 1.00 0.00 C ATOM 336 OH TYR A 21 4.052 1.968 10.042 1.00 0.00 O ATOM 0 H TYR A 21 10.510 2.748 5.271 1.00 0.00 H new ATOM 0 HA TYR A 21 9.266 1.082 7.078 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.877 3.571 6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.802 3.081 5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.351 2.886 8.979 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.604 2.163 5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.556 2.532 10.612 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.810 1.809 7.441 1.00 0.00 H new ATOM 0 HH TYR A 21 3.219 1.765 9.567 1.00 0.00 H new ATOM 346 N CYS A 22 8.088 0.744 4.046 1.00 0.00 N ATOM 347 CA CYS A 22 7.310 -0.199 3.213 1.00 0.00 C ATOM 348 C CYS A 22 8.011 -1.534 3.112 1.00 0.00 C ATOM 349 O CYS A 22 7.406 -2.562 3.343 1.00 0.00 O ATOM 350 CB CYS A 22 7.118 0.310 1.809 1.00 0.00 C ATOM 351 SG CYS A 22 5.431 -0.089 1.326 1.00 0.00 S ATOM 0 H CYS A 22 8.468 1.563 3.571 1.00 0.00 H new ATOM 0 HA CYS A 22 6.342 -0.302 3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.287 1.386 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.833 -0.155 1.130 1.00 0.00 H new ATOM 356 N ASN A 23 9.266 -1.478 2.759 1.00 0.00 N ATOM 357 CA ASN A 23 10.099 -2.722 2.618 1.00 0.00 C ATOM 358 C ASN A 23 9.940 -3.651 3.846 1.00 0.00 C ATOM 359 O ASN A 23 10.241 -4.829 3.781 1.00 0.00 O ATOM 360 CB ASN A 23 11.592 -2.379 2.484 1.00 0.00 C ATOM 361 CG ASN A 23 12.304 -3.695 2.189 1.00 0.00 C ATOM 362 OD1 ASN A 23 12.191 -4.280 1.135 1.00 0.00 O ATOM 363 ND2 ASN A 23 13.047 -4.202 3.111 1.00 0.00 N ATOM 0 H ASN A 23 9.764 -0.611 2.557 1.00 0.00 H new ATOM 0 HA ASN A 23 9.746 -3.228 1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.756 -1.659 1.682 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.972 -1.927 3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.531 -5.085 2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.152 -3.720 4.004 1.00 0.00 H new ATOM 370 N ASP A 24 9.494 -3.084 4.936 1.00 0.00 N ATOM 371 CA ASP A 24 9.273 -3.825 6.204 1.00 0.00 C ATOM 372 C ASP A 24 7.766 -4.160 6.288 1.00 0.00 C ATOM 373 O ASP A 24 7.321 -5.277 6.477 1.00 0.00 O ATOM 374 CB ASP A 24 9.728 -2.898 7.332 1.00 0.00 C ATOM 375 CG ASP A 24 10.863 -3.563 8.108 1.00 0.00 C ATOM 376 OD1 ASP A 24 10.538 -4.496 8.819 1.00 0.00 O ATOM 377 OD2 ASP A 24 11.984 -3.114 7.942 1.00 0.00 O ATOM 0 H ASP A 24 9.265 -2.092 4.996 1.00 0.00 H new ATOM 0 HA ASP A 24 9.829 -4.760 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.062 -1.945 6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.894 -2.683 7.999 1.00 0.00 H new ATOM 382 N LEU A 25 6.995 -3.129 6.144 1.00 0.00 N ATOM 383 CA LEU A 25 5.505 -3.200 6.183 1.00 0.00 C ATOM 384 C LEU A 25 4.868 -4.259 5.265 1.00 0.00 C ATOM 385 O LEU A 25 4.113 -5.111 5.695 1.00 0.00 O ATOM 386 CB LEU A 25 4.984 -1.808 5.795 1.00 0.00 C ATOM 387 CG LEU A 25 3.434 -1.757 5.697 1.00 0.00 C ATOM 388 CD1 LEU A 25 2.858 -1.728 7.086 1.00 0.00 C ATOM 389 CD2 LEU A 25 3.015 -0.501 4.977 1.00 0.00 C ATOM 0 H LEU A 25 7.353 -2.186 5.992 1.00 0.00 H new ATOM 0 HA LEU A 25 5.222 -3.506 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.322 -1.079 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.415 -1.517 4.837 1.00 0.00 H new ATOM 0 HG LEU A 25 3.075 -2.631 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.770 -1.692 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.163 -2.625 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.223 -0.846 7.613 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.928 -0.466 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.372 0.370 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.442 -0.497 3.974 1.00 0.00 H new ATOM 401 N CYS A 26 5.196 -4.161 4.011 1.00 0.00 N ATOM 402 CA CYS A 26 4.644 -5.106 2.993 1.00 0.00 C ATOM 403 C CYS A 26 5.001 -6.552 3.249 1.00 0.00 C ATOM 404 O CYS A 26 4.181 -7.454 3.329 1.00 0.00 O ATOM 405 CB CYS A 26 5.162 -4.627 1.651 1.00 0.00 C ATOM 406 SG CYS A 26 4.471 -3.037 1.157 1.00 0.00 S ATOM 0 H CYS A 26 5.833 -3.457 3.638 1.00 0.00 H new ATOM 0 HA CYS A 26 3.555 -5.096 3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.248 -4.547 1.694 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.927 -5.371 0.890 1.00 0.00 H new ATOM 411 N THR A 27 6.274 -6.714 3.387 1.00 0.00 N ATOM 412 CA THR A 27 6.867 -8.033 3.638 1.00 0.00 C ATOM 413 C THR A 27 6.175 -8.554 4.898 1.00 0.00 C ATOM 414 O THR A 27 5.735 -9.685 4.903 1.00 0.00 O ATOM 415 CB THR A 27 8.365 -7.745 3.725 1.00 0.00 C ATOM 416 OG1 THR A 27 8.432 -6.681 4.660 1.00 0.00 O ATOM 417 CG2 THR A 27 8.829 -7.111 2.431 1.00 0.00 C ATOM 0 H THR A 27 6.952 -5.953 3.333 1.00 0.00 H new ATOM 0 HA THR A 27 6.737 -8.817 2.892 1.00 0.00 H new ATOM 0 HB THR A 27 8.939 -8.643 3.956 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.068 -6.007 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.898 -6.904 2.490 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.636 -7.792 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.288 -6.179 2.268 1.00 0.00 H new ATOM 425 N LYS A 28 6.072 -7.756 5.934 1.00 0.00 N ATOM 426 CA LYS A 28 5.386 -8.207 7.196 1.00 0.00 C ATOM 427 C LYS A 28 4.018 -8.897 6.951 1.00 0.00 C ATOM 428 O LYS A 28 3.632 -9.775 7.698 1.00 0.00 O ATOM 429 CB LYS A 28 5.191 -6.984 8.115 1.00 0.00 C ATOM 430 CG LYS A 28 4.632 -7.386 9.539 1.00 0.00 C ATOM 431 CD LYS A 28 3.094 -7.219 9.630 1.00 0.00 C ATOM 432 CE LYS A 28 2.746 -5.715 9.659 1.00 0.00 C ATOM 433 NZ LYS A 28 1.289 -5.516 9.408 1.00 0.00 N ATOM 0 H LYS A 28 6.435 -6.803 5.963 1.00 0.00 H new ATOM 0 HA LYS A 28 6.026 -8.958 7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.143 -6.466 8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.503 -6.283 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.897 -8.421 9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.109 -6.771 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.613 -7.699 8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.716 -7.709 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.017 -5.291 10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.328 -5.186 8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.069 -4.500 9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.041 -5.904 8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.740 -6.005 10.143 1.00 0.00 H new ATOM 447 N ASN A 29 3.312 -8.495 5.925 1.00 0.00 N ATOM 448 CA ASN A 29 1.969 -9.119 5.625 1.00 0.00 C ATOM 449 C ASN A 29 2.118 -10.351 4.719 1.00 0.00 C ATOM 450 O ASN A 29 1.214 -11.156 4.580 1.00 0.00 O ATOM 451 CB ASN A 29 1.082 -8.063 4.934 1.00 0.00 C ATOM 452 CG ASN A 29 -0.173 -7.803 5.761 1.00 0.00 C ATOM 453 OD1 ASN A 29 -1.254 -7.658 5.245 1.00 0.00 O ATOM 454 ND2 ASN A 29 -0.110 -7.716 7.056 1.00 0.00 N ATOM 0 H ASN A 29 3.600 -7.762 5.277 1.00 0.00 H new ATOM 0 HA ASN A 29 1.512 -9.448 6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.641 -7.136 4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.804 -8.407 3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.955 -7.531 7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.785 -7.832 7.532 1.00 0.00 H new ATOM 461 N GLY A 30 3.283 -10.423 4.135 1.00 0.00 N ATOM 462 CA GLY A 30 3.654 -11.541 3.218 1.00 0.00 C ATOM 463 C GLY A 30 3.883 -11.060 1.790 1.00 0.00 C ATOM 464 O GLY A 30 3.716 -11.831 0.862 1.00 0.00 O ATOM 0 H GLY A 30 4.019 -9.728 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.558 -12.026 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.864 -12.292 3.225 1.00 0.00 H new ATOM 468 N ALA A 31 4.256 -9.819 1.624 1.00 0.00 N ATOM 469 CA ALA A 31 4.491 -9.325 0.234 1.00 0.00 C ATOM 470 C ALA A 31 5.890 -9.797 -0.169 1.00 0.00 C ATOM 471 O ALA A 31 6.731 -10.044 0.679 1.00 0.00 O ATOM 472 CB ALA A 31 4.451 -7.820 0.217 1.00 0.00 C ATOM 0 H ALA A 31 4.406 -9.139 2.370 1.00 0.00 H new ATOM 0 HA ALA A 31 3.730 -9.701 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.623 -7.463 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.475 -7.478 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.226 -7.428 0.875 1.00 0.00 H new ATOM 478 N SER A 32 6.099 -9.883 -1.456 1.00 0.00 N ATOM 479 CA SER A 32 7.441 -10.342 -1.921 1.00 0.00 C ATOM 480 C SER A 32 8.368 -9.133 -1.736 1.00 0.00 C ATOM 481 O SER A 32 9.512 -9.307 -1.355 1.00 0.00 O ATOM 482 CB SER A 32 7.333 -10.783 -3.390 1.00 0.00 C ATOM 483 OG SER A 32 8.295 -11.826 -3.513 1.00 0.00 O ATOM 0 H SER A 32 5.422 -9.663 -2.186 1.00 0.00 H new ATOM 0 HA SER A 32 7.828 -11.198 -1.367 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.330 -11.137 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.549 -9.959 -4.070 1.00 0.00 H new ATOM 0 HG SER A 32 8.290 -12.169 -4.431 1.00 0.00 H new ATOM 489 N SER A 33 7.881 -7.949 -2.020 1.00 0.00 N ATOM 490 CA SER A 33 8.788 -6.755 -1.822 1.00 0.00 C ATOM 491 C SER A 33 7.937 -5.558 -1.350 1.00 0.00 C ATOM 492 O SER A 33 6.727 -5.661 -1.438 1.00 0.00 O ATOM 493 CB SER A 33 9.490 -6.446 -3.157 1.00 0.00 C ATOM 494 OG SER A 33 10.653 -5.736 -2.747 1.00 0.00 O ATOM 0 H SER A 33 6.941 -7.753 -2.365 1.00 0.00 H new ATOM 0 HA SER A 33 9.547 -6.959 -1.067 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.743 -7.356 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.861 -5.846 -3.815 1.00 0.00 H new ATOM 0 HG SER A 33 11.181 -5.490 -3.535 1.00 0.00 H new ATOM 500 N GLY A 34 8.533 -4.485 -0.880 1.00 0.00 N ATOM 501 CA GLY A 34 7.740 -3.292 -0.411 1.00 0.00 C ATOM 502 C GLY A 34 8.394 -1.964 -0.822 1.00 0.00 C ATOM 503 O GLY A 34 9.601 -1.854 -0.749 1.00 0.00 O ATOM 0 H GLY A 34 9.544 -4.381 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.732 -3.342 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.642 -3.327 0.674 1.00 0.00 H new ATOM 507 N TYR A 35 7.611 -1.003 -1.250 1.00 0.00 N ATOM 508 CA TYR A 35 8.129 0.345 -1.672 1.00 0.00 C ATOM 509 C TYR A 35 7.003 1.323 -1.347 1.00 0.00 C ATOM 510 O TYR A 35 5.884 0.889 -1.207 1.00 0.00 O ATOM 511 CB TYR A 35 8.427 0.231 -3.180 1.00 0.00 C ATOM 512 CG TYR A 35 8.843 1.511 -3.915 1.00 0.00 C ATOM 513 CD1 TYR A 35 7.911 2.481 -4.199 1.00 0.00 C ATOM 514 CD2 TYR A 35 10.154 1.700 -4.307 1.00 0.00 C ATOM 515 CE1 TYR A 35 8.269 3.630 -4.870 1.00 0.00 C ATOM 516 CE2 TYR A 35 10.512 2.847 -4.977 1.00 0.00 C ATOM 517 CZ TYR A 35 9.573 3.812 -5.260 1.00 0.00 C ATOM 518 OH TYR A 35 9.975 4.949 -5.925 1.00 0.00 O ATOM 0 H TYR A 35 6.598 -1.098 -1.328 1.00 0.00 H new ATOM 0 HA TYR A 35 9.039 0.682 -1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.219 -0.506 -3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.538 -0.165 -3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.885 2.341 -3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.897 0.948 -4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.527 4.384 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.538 2.991 -5.283 1.00 0.00 H new ATOM 0 HH TYR A 35 10.935 4.894 -6.116 1.00 0.00 H new ATOM 528 N CYS A 36 7.254 2.594 -1.238 1.00 0.00 N ATOM 529 CA CYS A 36 6.126 3.532 -0.923 1.00 0.00 C ATOM 530 C CYS A 36 5.860 4.228 -2.256 1.00 0.00 C ATOM 531 O CYS A 36 6.789 4.739 -2.847 1.00 0.00 O ATOM 532 CB CYS A 36 6.587 4.518 0.147 1.00 0.00 C ATOM 533 SG CYS A 36 6.637 3.863 1.830 1.00 0.00 S ATOM 0 H CYS A 36 8.171 3.026 -1.349 1.00 0.00 H new ATOM 0 HA CYS A 36 5.231 3.047 -0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.583 4.875 -0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.924 5.383 0.131 1.00 0.00 H new ATOM 538 N GLN A 37 4.632 4.247 -2.698 1.00 0.00 N ATOM 539 CA GLN A 37 4.313 4.893 -4.002 1.00 0.00 C ATOM 540 C GLN A 37 3.204 5.909 -3.861 1.00 0.00 C ATOM 541 O GLN A 37 2.453 5.893 -2.907 1.00 0.00 O ATOM 542 CB GLN A 37 3.913 3.774 -4.958 1.00 0.00 C ATOM 543 CG GLN A 37 3.839 4.148 -6.447 1.00 0.00 C ATOM 544 CD GLN A 37 5.150 4.816 -6.813 1.00 0.00 C ATOM 545 OE1 GLN A 37 5.279 6.014 -6.679 1.00 0.00 O ATOM 546 NE2 GLN A 37 6.152 4.122 -7.257 1.00 0.00 N ATOM 0 H GLN A 37 3.833 3.841 -2.210 1.00 0.00 H new ATOM 0 HA GLN A 37 5.177 5.440 -4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.625 2.956 -4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.939 3.393 -4.651 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.677 3.260 -7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.001 4.820 -6.633 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.061 3.113 -7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.031 4.585 -7.487 1.00 0.00 H new ATOM 555 N TRP A 38 3.103 6.771 -4.825 1.00 0.00 N ATOM 556 CA TRP A 38 2.035 7.807 -4.775 1.00 0.00 C ATOM 557 C TRP A 38 1.426 7.916 -6.167 1.00 0.00 C ATOM 558 O TRP A 38 2.060 7.549 -7.136 1.00 0.00 O ATOM 559 CB TRP A 38 2.690 9.154 -4.270 1.00 0.00 C ATOM 560 CG TRP A 38 4.139 9.316 -4.740 1.00 0.00 C ATOM 561 CD1 TRP A 38 4.607 9.057 -5.993 1.00 0.00 C ATOM 562 CD2 TRP A 38 5.188 9.745 -3.971 1.00 0.00 C ATOM 563 NE1 TRP A 38 5.892 9.337 -5.917 1.00 0.00 N ATOM 564 CE2 TRP A 38 6.343 9.757 -4.752 1.00 0.00 C ATOM 565 CE3 TRP A 38 5.260 10.137 -2.638 1.00 0.00 C ATOM 566 CZ2 TRP A 38 7.573 10.160 -4.198 1.00 0.00 C ATOM 567 CZ3 TRP A 38 6.477 10.536 -2.081 1.00 0.00 C ATOM 568 CH2 TRP A 38 7.638 10.551 -2.856 1.00 0.00 C ATOM 0 H TRP A 38 3.709 6.807 -5.644 1.00 0.00 H new ATOM 0 HA TRP A 38 1.230 7.556 -4.084 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.099 9.997 -4.628 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.660 9.183 -3.181 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.053 8.704 -6.850 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.509 9.234 -6.722 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.368 10.133 -2.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.465 10.167 -4.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.520 10.835 -1.044 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.578 10.862 -2.424 1.00 0.00 H new ATOM 579 N ALA A 39 0.212 8.398 -6.217 1.00 0.00 N ATOM 580 CA ALA A 39 -0.507 8.557 -7.503 1.00 0.00 C ATOM 581 C ALA A 39 -1.164 9.937 -7.566 1.00 0.00 C ATOM 582 O ALA A 39 -0.791 10.786 -8.351 1.00 0.00 O ATOM 583 CB ALA A 39 -1.526 7.448 -7.600 1.00 0.00 C ATOM 0 H ALA A 39 -0.319 8.693 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 39 0.179 8.491 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.073 7.538 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.019 6.484 -7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.223 7.520 -6.765 1.00 0.00 H new ATOM 589 N GLY A 40 -2.142 10.097 -6.716 1.00 0.00 N ATOM 590 CA GLY A 40 -2.888 11.400 -6.643 1.00 0.00 C ATOM 591 C GLY A 40 -4.380 11.235 -6.367 1.00 0.00 C ATOM 592 O GLY A 40 -4.942 11.973 -5.585 1.00 0.00 O ATOM 0 H GLY A 40 -2.463 9.382 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.448 12.017 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.758 11.937 -7.583 1.00 0.00 H new ATOM 596 N LYS A 41 -5.005 10.275 -6.999 1.00 0.00 N ATOM 597 CA LYS A 41 -6.474 10.083 -6.758 1.00 0.00 C ATOM 598 C LYS A 41 -6.714 9.694 -5.293 1.00 0.00 C ATOM 599 O LYS A 41 -7.679 10.136 -4.690 1.00 0.00 O ATOM 600 CB LYS A 41 -7.002 8.985 -7.742 1.00 0.00 C ATOM 601 CG LYS A 41 -8.431 9.407 -8.223 1.00 0.00 C ATOM 602 CD LYS A 41 -8.797 8.696 -9.566 1.00 0.00 C ATOM 603 CE LYS A 41 -9.732 9.606 -10.441 1.00 0.00 C ATOM 604 NZ LYS A 41 -9.035 10.025 -11.701 1.00 0.00 N ATOM 0 H LYS A 41 -4.576 9.626 -7.659 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.018 11.009 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.329 8.882 -8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.039 8.015 -7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.166 9.153 -7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.470 10.488 -8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.887 8.463 -10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.295 7.749 -9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.646 9.066 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.026 10.488 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.669 10.626 -12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.175 10.559 -11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.776 9.181 -12.252 1.00 0.00 H new ATOM 618 N TYR A 42 -5.825 8.877 -4.777 1.00 0.00 N ATOM 619 CA TYR A 42 -5.944 8.431 -3.353 1.00 0.00 C ATOM 620 C TYR A 42 -4.773 9.026 -2.519 1.00 0.00 C ATOM 621 O TYR A 42 -4.761 8.875 -1.308 1.00 0.00 O ATOM 622 CB TYR A 42 -5.896 6.862 -3.241 1.00 0.00 C ATOM 623 CG TYR A 42 -6.452 6.116 -4.446 1.00 0.00 C ATOM 624 CD1 TYR A 42 -7.618 6.492 -5.082 1.00 0.00 C ATOM 625 CD2 TYR A 42 -5.748 5.022 -4.917 1.00 0.00 C ATOM 626 CE1 TYR A 42 -8.061 5.781 -6.174 1.00 0.00 C ATOM 627 CE2 TYR A 42 -6.196 4.316 -6.006 1.00 0.00 C ATOM 628 CZ TYR A 42 -7.352 4.695 -6.639 1.00 0.00 C ATOM 629 OH TYR A 42 -7.804 3.999 -7.746 1.00 0.00 O ATOM 0 H TYR A 42 -5.022 8.500 -5.281 1.00 0.00 H new ATOM 0 HA TYR A 42 -6.902 8.783 -2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -4.862 6.555 -3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.454 6.558 -2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.181 7.341 -4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.836 4.720 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.973 6.077 -6.671 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.639 3.463 -6.364 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.188 3.262 -7.943 1.00 0.00 H new ATOM 639 N GLY A 43 -3.832 9.661 -3.183 1.00 0.00 N ATOM 640 CA GLY A 43 -2.664 10.277 -2.475 1.00 0.00 C ATOM 641 C GLY A 43 -1.389 9.456 -2.608 1.00 0.00 C ATOM 642 O GLY A 43 -0.988 9.079 -3.697 1.00 0.00 O ATOM 0 H GLY A 43 -3.825 9.779 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.490 11.276 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.906 10.393 -1.419 1.00 0.00 H new ATOM 646 N ASN A 44 -0.818 9.204 -1.464 1.00 0.00 N ATOM 647 CA ASN A 44 0.437 8.421 -1.355 1.00 0.00 C ATOM 648 C ASN A 44 0.009 7.111 -0.723 1.00 0.00 C ATOM 649 O ASN A 44 -1.143 6.963 -0.341 1.00 0.00 O ATOM 650 CB ASN A 44 1.417 9.184 -0.447 1.00 0.00 C ATOM 651 CG ASN A 44 2.631 8.320 -0.091 1.00 0.00 C ATOM 652 OD1 ASN A 44 3.647 8.418 -0.737 1.00 0.00 O ATOM 653 ND2 ASN A 44 2.591 7.466 0.895 1.00 0.00 N ATOM 0 H ASN A 44 -1.187 9.523 -0.568 1.00 0.00 H new ATOM 0 HA ASN A 44 0.939 8.258 -2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.749 10.093 -0.949 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.907 9.492 0.466 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.409 6.895 1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.742 7.369 1.452 1.00 0.00 H new ATOM 660 N ALA A 45 0.925 6.191 -0.638 1.00 0.00 N ATOM 661 CA ALA A 45 0.611 4.887 -0.030 1.00 0.00 C ATOM 662 C ALA A 45 1.862 4.043 -0.075 1.00 0.00 C ATOM 663 O ALA A 45 2.896 4.393 -0.611 1.00 0.00 O ATOM 664 CB ALA A 45 -0.451 4.185 -0.841 1.00 0.00 C ATOM 0 H ALA A 45 1.884 6.294 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 45 0.258 5.031 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.679 3.221 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.353 4.796 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.089 4.030 -1.857 1.00 0.00 H new ATOM 670 N CYS A 46 1.698 2.907 0.507 1.00 0.00 N ATOM 671 CA CYS A 46 2.818 1.969 0.531 1.00 0.00 C ATOM 672 C CYS A 46 2.331 1.059 -0.588 1.00 0.00 C ATOM 673 O CYS A 46 1.189 0.634 -0.619 1.00 0.00 O ATOM 674 CB CYS A 46 2.866 1.273 1.835 1.00 0.00 C ATOM 675 SG CYS A 46 4.482 1.127 2.621 1.00 0.00 S ATOM 0 H CYS A 46 0.842 2.592 0.963 1.00 0.00 H new ATOM 0 HA CYS A 46 3.822 2.375 0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.200 1.794 2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.463 0.270 1.699 1.00 0.00 H new ATOM 680 N TRP A 47 3.256 0.811 -1.451 1.00 0.00 N ATOM 681 CA TRP A 47 3.115 -0.028 -2.665 1.00 0.00 C ATOM 682 C TRP A 47 3.737 -1.354 -2.274 1.00 0.00 C ATOM 683 O TRP A 47 4.942 -1.486 -2.134 1.00 0.00 O ATOM 684 CB TRP A 47 3.894 0.677 -3.801 1.00 0.00 C ATOM 685 CG TRP A 47 3.532 0.253 -5.224 1.00 0.00 C ATOM 686 CD1 TRP A 47 4.419 -0.186 -6.170 1.00 0.00 C ATOM 687 CD2 TRP A 47 2.289 0.261 -5.773 1.00 0.00 C ATOM 688 NE1 TRP A 47 3.660 -0.420 -7.224 1.00 0.00 N ATOM 689 CE2 TRP A 47 2.376 -0.182 -7.088 1.00 0.00 C ATOM 690 CE3 TRP A 47 1.062 0.621 -5.254 1.00 0.00 C ATOM 691 CZ2 TRP A 47 1.228 -0.266 -7.890 1.00 0.00 C ATOM 692 CZ3 TRP A 47 -0.084 0.544 -6.041 1.00 0.00 C ATOM 693 CH2 TRP A 47 -0.010 0.101 -7.359 1.00 0.00 C ATOM 0 H TRP A 47 4.196 1.194 -1.353 1.00 0.00 H new ATOM 0 HA TRP A 47 2.093 -0.177 -3.012 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.735 1.752 -3.712 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.959 0.499 -3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.488 -0.311 -6.076 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.051 -0.768 -8.100 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.990 0.964 -4.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.301 -0.612 -8.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.039 0.830 -5.625 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.902 0.042 -7.965 1.00 0.00 H new ATOM 704 N CYS A 48 2.877 -2.316 -2.114 1.00 0.00 N ATOM 705 CA CYS A 48 3.392 -3.655 -1.729 1.00 0.00 C ATOM 706 C CYS A 48 3.352 -4.437 -3.019 1.00 0.00 C ATOM 707 O CYS A 48 2.433 -4.243 -3.802 1.00 0.00 O ATOM 708 CB CYS A 48 2.480 -4.261 -0.676 1.00 0.00 C ATOM 709 SG CYS A 48 2.505 -3.442 0.934 1.00 0.00 S ATOM 0 H CYS A 48 1.866 -2.239 -2.229 1.00 0.00 H new ATOM 0 HA CYS A 48 4.392 -3.639 -1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.458 -4.250 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.757 -5.306 -0.538 1.00 0.00 H new ATOM 714 N TYR A 49 4.350 -5.277 -3.148 1.00 0.00 N ATOM 715 CA TYR A 49 4.499 -6.128 -4.361 1.00 0.00 C ATOM 716 C TYR A 49 4.146 -7.540 -3.976 1.00 0.00 C ATOM 717 O TYR A 49 4.652 -8.059 -2.994 1.00 0.00 O ATOM 718 CB TYR A 49 5.941 -6.153 -4.850 1.00 0.00 C ATOM 719 CG TYR A 49 6.540 -4.768 -5.120 1.00 0.00 C ATOM 720 CD1 TYR A 49 6.935 -3.938 -4.089 1.00 0.00 C ATOM 721 CD2 TYR A 49 6.698 -4.333 -6.417 1.00 0.00 C ATOM 722 CE1 TYR A 49 7.480 -2.705 -4.334 1.00 0.00 C ATOM 723 CE2 TYR A 49 7.243 -3.092 -6.667 1.00 0.00 C ATOM 724 CZ TYR A 49 7.637 -2.274 -5.632 1.00 0.00 C ATOM 725 OH TYR A 49 8.178 -1.043 -5.959 1.00 0.00 O ATOM 0 H TYR A 49 5.080 -5.408 -2.448 1.00 0.00 H new ATOM 0 HA TYR A 49 3.858 -5.727 -5.146 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.555 -6.663 -4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.992 -6.743 -5.765 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.812 -4.268 -3.068 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.395 -4.965 -7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.785 -2.074 -3.512 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.362 -2.757 -7.687 1.00 0.00 H new ATOM 0 HH TYR A 49 8.197 -0.943 -6.934 1.00 0.00 H new ATOM 735 N ALA A 50 3.307 -8.121 -4.787 1.00 0.00 N ATOM 736 CA ALA A 50 2.834 -9.520 -4.561 1.00 0.00 C ATOM 737 C ALA A 50 2.331 -9.648 -3.125 1.00 0.00 C ATOM 738 O ALA A 50 2.640 -10.566 -2.389 1.00 0.00 O ATOM 739 CB ALA A 50 3.960 -10.500 -4.814 1.00 0.00 C ATOM 0 H ALA A 50 2.919 -7.675 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 50 2.022 -9.748 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.603 -11.516 -4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.303 -10.402 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.786 -10.289 -4.135 1.00 0.00 H new ATOM 745 N LEU A 51 1.537 -8.675 -2.784 1.00 0.00 N ATOM 746 CA LEU A 51 0.916 -8.596 -1.455 1.00 0.00 C ATOM 747 C LEU A 51 -0.062 -9.783 -1.628 1.00 0.00 C ATOM 748 O LEU A 51 -0.731 -9.812 -2.641 1.00 0.00 O ATOM 749 CB LEU A 51 0.318 -7.180 -1.424 1.00 0.00 C ATOM 750 CG LEU A 51 -0.828 -6.948 -0.445 1.00 0.00 C ATOM 751 CD1 LEU A 51 -2.023 -7.698 -0.969 1.00 0.00 C ATOM 752 CD2 LEU A 51 -0.435 -7.384 0.947 1.00 0.00 C ATOM 0 H LEU A 51 1.290 -7.905 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 51 1.475 -8.690 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.117 -6.477 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.034 -6.936 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.073 -5.889 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.867 -7.556 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.283 -7.322 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.786 -8.760 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.266 -7.210 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.187 -8.445 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.432 -6.811 1.277 1.00 0.00 H new ATOM 764 N PRO A 52 -0.112 -10.725 -0.710 1.00 0.00 N ATOM 765 CA PRO A 52 -1.135 -11.798 -0.634 1.00 0.00 C ATOM 766 C PRO A 52 -2.527 -11.572 -1.231 1.00 0.00 C ATOM 767 O PRO A 52 -2.920 -10.543 -1.736 1.00 0.00 O ATOM 768 CB PRO A 52 -1.224 -12.145 0.853 1.00 0.00 C ATOM 769 CG PRO A 52 0.101 -11.677 1.484 1.00 0.00 C ATOM 770 CD PRO A 52 0.859 -10.863 0.399 1.00 0.00 C ATOM 0 HA PRO A 52 -0.790 -12.596 -1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.074 -11.647 1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.366 -13.216 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.087 -11.063 2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.695 -12.530 1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.169 -9.889 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.762 -11.380 0.074 1.00 0.00 H new ATOM 778 N ASP A 53 -3.262 -12.623 -1.122 1.00 0.00 N ATOM 779 CA ASP A 53 -4.644 -12.617 -1.636 1.00 0.00 C ATOM 780 C ASP A 53 -5.644 -12.186 -0.565 1.00 0.00 C ATOM 781 O ASP A 53 -6.672 -11.614 -0.881 1.00 0.00 O ATOM 782 CB ASP A 53 -4.883 -14.030 -2.173 1.00 0.00 C ATOM 783 CG ASP A 53 -3.943 -14.151 -3.396 1.00 0.00 C ATOM 784 OD1 ASP A 53 -2.750 -14.352 -3.222 1.00 0.00 O ATOM 785 OD2 ASP A 53 -4.427 -14.011 -4.505 1.00 0.00 O ATOM 0 H ASP A 53 -2.963 -13.499 -0.694 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.788 -11.884 -2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.652 -14.784 -1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.925 -14.174 -2.459 1.00 0.00 H new ATOM 790 N ASN A 54 -5.277 -12.464 0.657 1.00 0.00 N ATOM 791 CA ASN A 54 -6.111 -12.136 1.864 1.00 0.00 C ATOM 792 C ASN A 54 -5.922 -10.717 2.439 1.00 0.00 C ATOM 793 O ASN A 54 -6.419 -10.433 3.511 1.00 0.00 O ATOM 794 CB ASN A 54 -5.775 -13.174 2.962 1.00 0.00 C ATOM 795 CG ASN A 54 -4.303 -13.012 3.377 1.00 0.00 C ATOM 796 OD1 ASN A 54 -3.897 -11.994 3.890 1.00 0.00 O ATOM 797 ND2 ASN A 54 -3.441 -13.963 3.186 1.00 0.00 N ATOM 0 H ASN A 54 -4.396 -12.925 0.882 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.151 -12.172 1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.426 -13.033 3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.952 -14.184 2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.469 -13.833 3.465 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.736 -14.840 2.757 1.00 0.00 H new ATOM 804 N VAL A 55 -5.232 -9.851 1.747 1.00 0.00 N ATOM 805 CA VAL A 55 -5.032 -8.467 2.288 1.00 0.00 C ATOM 806 C VAL A 55 -5.780 -7.425 1.426 1.00 0.00 C ATOM 807 O VAL A 55 -5.229 -6.912 0.467 1.00 0.00 O ATOM 808 CB VAL A 55 -3.508 -8.162 2.316 1.00 0.00 C ATOM 809 CG1 VAL A 55 -3.308 -6.927 3.159 1.00 0.00 C ATOM 810 CG2 VAL A 55 -2.771 -9.305 2.971 1.00 0.00 C ATOM 0 H VAL A 55 -4.801 -10.034 0.841 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.439 -8.408 3.297 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.134 -8.022 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.246 -6.683 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.855 -6.093 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.678 -7.111 4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.703 -9.087 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.132 -9.433 3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.945 -10.221 2.407 1.00 0.00 H new ATOM 820 N PRO A 56 -7.025 -7.137 1.759 1.00 0.00 N ATOM 821 CA PRO A 56 -7.822 -6.141 0.995 1.00 0.00 C ATOM 822 C PRO A 56 -7.045 -4.805 0.942 1.00 0.00 C ATOM 823 O PRO A 56 -6.994 -4.091 1.920 1.00 0.00 O ATOM 824 CB PRO A 56 -9.180 -6.037 1.724 1.00 0.00 C ATOM 825 CG PRO A 56 -9.066 -6.888 3.024 1.00 0.00 C ATOM 826 CD PRO A 56 -7.773 -7.730 2.914 1.00 0.00 C ATOM 0 HA PRO A 56 -7.996 -6.426 -0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.411 -4.999 1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.987 -6.406 1.091 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.031 -6.244 3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.936 -7.534 3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.188 -7.678 3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.000 -8.782 2.740 1.00 0.00 H new ATOM 834 N ILE A 57 -6.468 -4.527 -0.197 1.00 0.00 N ATOM 835 CA ILE A 57 -5.681 -3.278 -0.419 1.00 0.00 C ATOM 836 C ILE A 57 -6.589 -2.042 -0.565 1.00 0.00 C ATOM 837 O ILE A 57 -7.778 -2.075 -0.302 1.00 0.00 O ATOM 838 CB ILE A 57 -4.754 -3.523 -1.687 1.00 0.00 C ATOM 839 CG1 ILE A 57 -5.561 -3.545 -2.983 1.00 0.00 C ATOM 840 CG2 ILE A 57 -3.856 -4.728 -1.503 1.00 0.00 C ATOM 841 CD1 ILE A 57 -6.589 -4.646 -3.023 1.00 0.00 C ATOM 0 H ILE A 57 -6.512 -5.138 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.059 -3.058 0.449 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.081 -2.671 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.061 -2.585 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.880 -3.662 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.239 -4.861 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.215 -4.575 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.467 -5.617 -1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.128 -4.606 -3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.092 -5.611 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.292 -4.518 -2.200 1.00 0.00 H new ATOM 853 N ARG A 58 -5.989 -0.969 -0.996 1.00 0.00 N ATOM 854 CA ARG A 58 -6.760 0.288 -1.149 1.00 0.00 C ATOM 855 C ARG A 58 -6.936 0.945 -2.521 1.00 0.00 C ATOM 856 O ARG A 58 -6.027 1.579 -3.029 1.00 0.00 O ATOM 857 CB ARG A 58 -6.092 1.211 -0.153 1.00 0.00 C ATOM 858 CG ARG A 58 -6.750 2.574 -0.003 1.00 0.00 C ATOM 859 CD ARG A 58 -6.226 3.534 -1.095 1.00 0.00 C ATOM 860 NE ARG A 58 -6.284 4.954 -0.569 1.00 0.00 N ATOM 861 CZ ARG A 58 -5.229 5.746 -0.505 1.00 0.00 C ATOM 862 NH1 ARG A 58 -4.115 5.430 -1.118 1.00 0.00 N ATOM 863 NH2 ARG A 58 -5.333 6.852 0.182 1.00 0.00 N ATOM 0 H ARG A 58 -5.002 -0.911 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.811 0.051 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.077 0.722 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.054 1.356 -0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.833 2.476 -0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.538 2.983 0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.203 3.274 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.828 3.442 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.182 5.316 -0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.055 4.563 -1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.308 6.051 -1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.210 7.082 0.649 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.537 7.486 0.252 1.00 0.00 H new ATOM 877 N VAL A 59 -8.115 0.752 -3.062 1.00 0.00 N ATOM 878 CA VAL A 59 -8.488 1.328 -4.398 1.00 0.00 C ATOM 879 C VAL A 59 -9.954 1.869 -4.458 1.00 0.00 C ATOM 880 O VAL A 59 -10.758 1.382 -5.225 1.00 0.00 O ATOM 881 CB VAL A 59 -8.262 0.230 -5.449 1.00 0.00 C ATOM 882 CG1 VAL A 59 -6.767 0.061 -5.622 1.00 0.00 C ATOM 883 CG2 VAL A 59 -8.929 -1.043 -4.981 1.00 0.00 C ATOM 0 H VAL A 59 -8.855 0.205 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.861 2.198 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.699 0.492 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.572 -0.714 -6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.331 1.002 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.321 -0.227 -4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.774 -1.828 -5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.497 -1.351 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.998 -0.869 -4.855 1.00 0.00 H new ATOM 893 N PRO A 60 -10.283 2.847 -3.649 1.00 0.00 N ATOM 894 CA PRO A 60 -11.588 3.554 -3.682 1.00 0.00 C ATOM 895 C PRO A 60 -11.467 4.940 -4.315 1.00 0.00 C ATOM 896 O PRO A 60 -10.398 5.378 -4.699 1.00 0.00 O ATOM 897 CB PRO A 60 -11.948 3.600 -2.265 1.00 0.00 C ATOM 898 CG PRO A 60 -10.556 4.020 -1.628 1.00 0.00 C ATOM 899 CD PRO A 60 -9.459 3.400 -2.549 1.00 0.00 C ATOM 0 HA PRO A 60 -12.344 3.063 -4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.734 4.327 -2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.300 2.637 -1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.459 5.105 -1.581 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.465 3.648 -0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.749 4.147 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.882 2.628 -2.039 1.00 0.00 H new ATOM 907 N GLY A 61 -12.584 5.611 -4.389 1.00 0.00 N ATOM 908 CA GLY A 61 -12.597 6.985 -4.979 1.00 0.00 C ATOM 909 C GLY A 61 -11.680 7.847 -4.115 1.00 0.00 C ATOM 910 O GLY A 61 -10.964 8.719 -4.575 1.00 0.00 O ATOM 0 H GLY A 61 -13.490 5.269 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.248 6.965 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.609 7.390 -4.992 1.00 0.00 H new ATOM 914 N LYS A 62 -11.763 7.547 -2.846 1.00 0.00 N ATOM 915 CA LYS A 62 -10.958 8.241 -1.814 1.00 0.00 C ATOM 916 C LYS A 62 -10.974 7.351 -0.574 1.00 0.00 C ATOM 917 O LYS A 62 -11.793 6.457 -0.473 1.00 0.00 O ATOM 918 CB LYS A 62 -11.585 9.624 -1.494 1.00 0.00 C ATOM 919 CG LYS A 62 -10.450 10.661 -1.554 1.00 0.00 C ATOM 920 CD LYS A 62 -11.041 12.081 -1.540 1.00 0.00 C ATOM 921 CE LYS A 62 -10.054 13.041 -2.219 1.00 0.00 C ATOM 922 NZ LYS A 62 -9.838 12.579 -3.630 1.00 0.00 N ATOM 0 H LYS A 62 -12.379 6.823 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.938 8.412 -2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.367 9.868 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.049 9.618 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.778 10.528 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.857 10.513 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.998 12.095 -2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.231 12.399 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.446 14.058 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.109 13.059 -1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.745 13.405 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.970 12.008 -3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.649 12.003 -3.935 1.00 0.00 H new ATOM 936 N CYS A 63 -10.080 7.621 0.336 1.00 0.00 N ATOM 937 CA CYS A 63 -10.001 6.822 1.600 1.00 0.00 C ATOM 938 C CYS A 63 -11.229 7.266 2.402 1.00 0.00 C ATOM 939 O CYS A 63 -11.800 8.310 2.131 1.00 0.00 O ATOM 940 CB CYS A 63 -8.673 7.186 2.290 1.00 0.00 C ATOM 941 SG CYS A 63 -8.569 7.190 4.096 1.00 0.00 S ATOM 0 H CYS A 63 -9.391 8.369 0.260 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.009 5.740 1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.915 6.494 1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.390 8.181 1.946 1.00 0.00 H new ATOM 946 N HIS A 64 -11.621 6.471 3.358 1.00 0.00 N ATOM 947 CA HIS A 64 -12.809 6.845 4.170 1.00 0.00 C ATOM 948 C HIS A 64 -12.920 5.875 5.351 1.00 0.00 C ATOM 949 O HIS A 64 -12.068 6.009 6.208 1.00 0.00 O ATOM 950 CB HIS A 64 -14.051 6.792 3.244 1.00 0.00 C ATOM 951 CG HIS A 64 -13.989 5.523 2.381 1.00 0.00 C ATOM 952 ND1 HIS A 64 -13.988 4.306 2.839 1.00 0.00 N ATOM 953 CD2 HIS A 64 -13.923 5.394 1.007 1.00 0.00 C ATOM 954 CE1 HIS A 64 -13.930 3.439 1.879 1.00 0.00 C ATOM 955 NE2 HIS A 64 -13.891 4.106 0.768 1.00 0.00 N ATOM 956 OXT HIS A 64 -13.822 5.052 5.349 1.00 0.00 O ATOM 0 H HIS A 64 -11.175 5.589 3.609 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.727 7.852 4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -14.963 6.796 3.840 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.082 7.677 2.608 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -14.028 4.065 3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.902 6.191 0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -13.917 2.364 1.984 1.00 0.00 H new TER 965 HIS A 64