USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 488 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 22 TYR OH : rot -112:sc= 0.987 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0.756 USER MOD Single : A 1 ARG N :NH3+ -146:sc= 0.556 (180deg=0.066) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.55! C(o=-1.6!,f=-6.2!) USER MOD Single : A 5 LYS NZ :NH3+ -117:sc= -0.672 (180deg=-4.27!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.84! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.731 K(o=-0.73,f=0.16) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 163:sc= -0.114 (180deg=-0.633) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.74 K(o=-2.7,f=-3.6!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.58) USER MOD Single : A 46 SER OG : rot 180:sc= -0.458 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.017) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.658 USER MOD Single : A 60 ASN : amide:sc= -9.83! C(o=-9.8!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -10.220 -8.022 6.750 1.00 0.00 N ATOM 2 CA ARG A 1 -10.696 -6.656 6.394 1.00 0.00 C ATOM 3 C ARG A 1 -10.234 -6.307 4.978 1.00 0.00 C ATOM 4 O ARG A 1 -9.950 -7.175 4.176 1.00 0.00 O ATOM 5 CB ARG A 1 -10.123 -5.645 7.388 1.00 0.00 C ATOM 6 CG ARG A 1 -11.268 -4.942 8.120 1.00 0.00 C ATOM 7 CD ARG A 1 -11.137 -5.194 9.621 1.00 0.00 C ATOM 8 NE ARG A 1 -9.707 -5.064 10.021 1.00 0.00 N ATOM 9 CZ ARG A 1 -9.356 -5.253 11.263 1.00 0.00 C ATOM 10 NH1 ARG A 1 -10.181 -4.950 12.228 1.00 0.00 N ATOM 11 NH2 ARG A 1 -8.180 -5.747 11.543 1.00 0.00 N ATOM 0 H1 ARG A 1 -10.923 -8.487 7.359 1.00 0.00 H new ATOM 0 H2 ARG A 1 -10.089 -8.581 5.883 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.315 -7.953 7.257 1.00 0.00 H new ATOM 0 HA ARG A 1 -11.785 -6.626 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -9.476 -6.151 8.104 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -9.508 -4.913 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -11.243 -3.872 7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -12.228 -5.313 7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -11.748 -4.481 10.175 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.506 -6.190 9.868 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.002 -4.827 9.323 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -11.100 -4.565 12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.906 -5.098 13.199 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -7.535 -5.986 10.790 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -7.907 -5.894 12.515 1.00 0.00 H new ATOM 27 N LYS A 2 -10.163 -5.043 4.661 1.00 0.00 N ATOM 28 CA LYS A 2 -9.728 -4.642 3.294 1.00 0.00 C ATOM 29 C LYS A 2 -8.782 -3.441 3.390 1.00 0.00 C ATOM 30 O LYS A 2 -8.307 -3.101 4.455 1.00 0.00 O ATOM 31 CB LYS A 2 -10.961 -4.257 2.475 1.00 0.00 C ATOM 32 CG LYS A 2 -11.551 -5.509 1.818 1.00 0.00 C ATOM 33 CD LYS A 2 -12.381 -6.285 2.842 1.00 0.00 C ATOM 34 CE LYS A 2 -13.844 -6.311 2.397 1.00 0.00 C ATOM 35 NZ LYS A 2 -14.706 -5.774 3.488 1.00 0.00 N ATOM 0 H LYS A 2 -10.387 -4.271 5.289 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.208 -5.471 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.705 -3.786 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.690 -3.527 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.174 -5.227 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.751 -6.140 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.001 -7.302 2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.296 -5.818 3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.971 -5.716 1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.142 -7.330 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.701 -5.792 3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.593 -6.360 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.427 -4.795 3.701 1.00 0.00 H new ATOM 49 N CYS A 3 -8.514 -2.786 2.291 1.00 0.00 N ATOM 50 CA CYS A 3 -7.614 -1.602 2.331 1.00 0.00 C ATOM 51 C CYS A 3 -8.381 -0.427 1.737 1.00 0.00 C ATOM 52 O CYS A 3 -8.198 -0.075 0.594 1.00 0.00 O ATOM 53 CB CYS A 3 -6.340 -1.867 1.508 1.00 0.00 C ATOM 54 SG CYS A 3 -6.291 -3.597 0.958 1.00 0.00 S ATOM 0 H CYS A 3 -8.881 -3.022 1.369 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.311 -1.390 3.356 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.313 -1.203 0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.458 -1.645 2.109 1.00 0.00 H new ATOM 59 N ASN A 4 -9.267 0.151 2.505 1.00 0.00 N ATOM 60 CA ASN A 4 -10.103 1.282 2.000 1.00 0.00 C ATOM 61 C ASN A 4 -9.328 2.600 2.007 1.00 0.00 C ATOM 62 O ASN A 4 -9.870 3.637 2.334 1.00 0.00 O ATOM 63 CB ASN A 4 -11.314 1.437 2.909 1.00 0.00 C ATOM 64 CG ASN A 4 -11.916 0.062 3.204 1.00 0.00 C ATOM 65 OD1 ASN A 4 -11.448 -0.939 2.701 1.00 0.00 O ATOM 66 ND2 ASN A 4 -12.942 -0.029 4.006 1.00 0.00 N ATOM 0 H ASN A 4 -9.450 -0.115 3.473 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.398 1.056 0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.023 1.924 3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.058 2.076 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.350 -0.941 4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.335 0.812 4.429 1.00 0.00 H new ATOM 73 N LYS A 5 -8.080 2.583 1.649 1.00 0.00 N ATOM 74 CA LYS A 5 -7.309 3.854 1.640 1.00 0.00 C ATOM 75 C LYS A 5 -6.179 3.785 0.612 1.00 0.00 C ATOM 76 O LYS A 5 -6.007 4.683 -0.187 1.00 0.00 O ATOM 77 CB LYS A 5 -6.730 4.103 3.031 1.00 0.00 C ATOM 78 CG LYS A 5 -7.781 4.815 3.881 1.00 0.00 C ATOM 79 CD LYS A 5 -8.448 3.809 4.819 1.00 0.00 C ATOM 80 CE LYS A 5 -8.371 4.322 6.258 1.00 0.00 C ATOM 81 NZ LYS A 5 -6.945 4.383 6.687 1.00 0.00 N ATOM 0 H LYS A 5 -7.562 1.752 1.364 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.975 4.673 1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.445 3.159 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.827 4.709 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.316 5.614 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.529 5.280 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.489 3.661 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.955 2.840 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.826 5.310 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.934 3.664 6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.793 3.729 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.331 4.112 5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.714 5.351 6.987 1.00 0.00 H new ATOM 95 N LEU A 6 -5.400 2.739 0.622 1.00 0.00 N ATOM 96 CA LEU A 6 -4.283 2.653 -0.359 1.00 0.00 C ATOM 97 C LEU A 6 -3.527 3.986 -0.339 1.00 0.00 C ATOM 98 O LEU A 6 -2.764 4.260 0.568 1.00 0.00 O ATOM 99 CB LEU A 6 -4.850 2.381 -1.756 1.00 0.00 C ATOM 100 CG LEU A 6 -5.592 1.043 -1.753 1.00 0.00 C ATOM 101 CD1 LEU A 6 -7.097 1.296 -1.858 1.00 0.00 C ATOM 102 CD2 LEU A 6 -5.132 0.204 -2.947 1.00 0.00 C ATOM 0 H LEU A 6 -5.487 1.948 1.260 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.604 1.841 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.527 3.184 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.044 2.361 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.376 0.509 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.627 0.344 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.425 1.896 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.313 1.829 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.660 -0.750 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.349 0.738 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.059 0.025 -2.874 1.00 0.00 H new ATOM 114 N VAL A 7 -3.757 4.835 -1.301 1.00 0.00 N ATOM 115 CA VAL A 7 -3.081 6.164 -1.301 1.00 0.00 C ATOM 116 C VAL A 7 -3.910 7.069 -0.366 1.00 0.00 C ATOM 117 O VAL A 7 -4.758 6.565 0.341 1.00 0.00 O ATOM 118 CB VAL A 7 -3.021 6.721 -2.742 1.00 0.00 C ATOM 119 CG1 VAL A 7 -1.615 7.257 -3.026 1.00 0.00 C ATOM 120 CG2 VAL A 7 -3.313 5.610 -3.758 1.00 0.00 C ATOM 0 H VAL A 7 -4.384 4.667 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.051 6.104 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.764 7.513 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.574 7.649 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.380 8.053 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.890 6.451 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.267 6.019 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.572 4.817 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.308 5.203 -3.576 1.00 0.00 H new ATOM 130 N PRO A 8 -3.664 8.358 -0.350 1.00 0.00 N ATOM 131 CA PRO A 8 -4.415 9.262 0.538 1.00 0.00 C ATOM 132 C PRO A 8 -5.814 9.533 -0.024 1.00 0.00 C ATOM 133 O PRO A 8 -6.717 9.910 0.695 1.00 0.00 O ATOM 134 CB PRO A 8 -3.563 10.532 0.569 1.00 0.00 C ATOM 135 CG PRO A 8 -2.686 10.502 -0.704 1.00 0.00 C ATOM 136 CD PRO A 8 -2.652 9.037 -1.183 1.00 0.00 C ATOM 0 HA PRO A 8 -4.576 8.849 1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.193 11.422 0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.944 10.563 1.466 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.100 11.152 -1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.680 10.863 -0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.892 8.959 -2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.664 8.597 -1.047 1.00 0.00 H new ATOM 144 N LEU A 9 -6.002 9.348 -1.303 1.00 0.00 N ATOM 145 CA LEU A 9 -7.340 9.601 -1.899 1.00 0.00 C ATOM 146 C LEU A 9 -7.854 8.335 -2.602 1.00 0.00 C ATOM 147 O LEU A 9 -8.613 8.410 -3.548 1.00 0.00 O ATOM 148 CB LEU A 9 -7.210 10.747 -2.904 1.00 0.00 C ATOM 149 CG LEU A 9 -6.629 10.229 -4.221 1.00 0.00 C ATOM 150 CD1 LEU A 9 -7.712 10.235 -5.300 1.00 0.00 C ATOM 151 CD2 LEU A 9 -5.472 11.130 -4.658 1.00 0.00 C ATOM 0 H LEU A 9 -5.286 9.033 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.052 9.869 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.186 11.198 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.567 11.527 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.266 9.211 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.295 9.865 -6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.536 9.592 -4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.078 11.252 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.058 10.761 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.836 12.148 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.697 11.124 -3.892 1.00 0.00 H new ATOM 163 N PHE A 10 -7.445 7.173 -2.159 1.00 0.00 N ATOM 164 CA PHE A 10 -7.917 5.920 -2.824 1.00 0.00 C ATOM 165 C PHE A 10 -8.527 4.959 -1.799 1.00 0.00 C ATOM 166 O PHE A 10 -8.420 5.150 -0.604 1.00 0.00 O ATOM 167 CB PHE A 10 -6.734 5.225 -3.495 1.00 0.00 C ATOM 168 CG PHE A 10 -6.401 5.914 -4.797 1.00 0.00 C ATOM 169 CD1 PHE A 10 -5.665 7.104 -4.792 1.00 0.00 C ATOM 170 CD2 PHE A 10 -6.826 5.357 -6.008 1.00 0.00 C ATOM 171 CE1 PHE A 10 -5.355 7.740 -6.000 1.00 0.00 C ATOM 172 CE2 PHE A 10 -6.516 5.991 -7.216 1.00 0.00 C ATOM 173 CZ PHE A 10 -5.782 7.183 -7.213 1.00 0.00 C ATOM 0 H PHE A 10 -6.810 7.038 -1.372 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.674 6.187 -3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.868 5.242 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.974 4.178 -3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.336 7.532 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.393 4.438 -6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.787 8.659 -5.997 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.843 5.561 -8.151 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.545 7.673 -8.146 1.00 0.00 H new ATOM 183 N TYR A 11 -9.158 3.918 -2.274 1.00 0.00 N ATOM 184 CA TYR A 11 -9.778 2.910 -1.365 1.00 0.00 C ATOM 185 C TYR A 11 -10.002 1.615 -2.159 1.00 0.00 C ATOM 186 O TYR A 11 -10.244 1.651 -3.350 1.00 0.00 O ATOM 187 CB TYR A 11 -11.123 3.438 -0.862 1.00 0.00 C ATOM 188 CG TYR A 11 -12.094 3.525 -2.016 1.00 0.00 C ATOM 189 CD1 TYR A 11 -12.041 4.612 -2.895 1.00 0.00 C ATOM 190 CD2 TYR A 11 -13.047 2.516 -2.206 1.00 0.00 C ATOM 191 CE1 TYR A 11 -12.942 4.693 -3.964 1.00 0.00 C ATOM 192 CE2 TYR A 11 -13.947 2.597 -3.276 1.00 0.00 C ATOM 193 CZ TYR A 11 -13.894 3.686 -4.154 1.00 0.00 C ATOM 194 OH TYR A 11 -14.781 3.766 -5.209 1.00 0.00 O ATOM 0 H TYR A 11 -9.272 3.721 -3.268 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.126 2.720 -0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.518 2.779 -0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.993 4.420 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.305 5.389 -2.749 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.088 1.676 -1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -12.902 5.533 -4.642 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.682 1.819 -3.424 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.374 2.986 -5.198 1.00 0.00 H new ATOM 204 N LYS A 12 -9.931 0.470 -1.527 1.00 0.00 N ATOM 205 CA LYS A 12 -10.147 -0.800 -2.277 1.00 0.00 C ATOM 206 C LYS A 12 -10.563 -1.910 -1.313 1.00 0.00 C ATOM 207 O LYS A 12 -10.228 -1.900 -0.140 1.00 0.00 O ATOM 208 CB LYS A 12 -8.859 -1.216 -2.988 1.00 0.00 C ATOM 209 CG LYS A 12 -8.735 -0.466 -4.316 1.00 0.00 C ATOM 210 CD LYS A 12 -9.998 -0.693 -5.151 1.00 0.00 C ATOM 211 CE LYS A 12 -9.604 -1.071 -6.580 1.00 0.00 C ATOM 212 NZ LYS A 12 -10.646 -1.964 -7.163 1.00 0.00 N ATOM 0 H LYS A 12 -9.734 0.362 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.934 -0.639 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.998 -1.000 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.862 -2.291 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.594 0.599 -4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.858 -0.814 -4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.602 -1.484 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.609 0.209 -5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.497 -0.173 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.637 -1.574 -6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.379 -2.221 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.727 -2.826 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.560 -1.469 -7.175 1.00 0.00 H new ATOM 226 N THR A 13 -11.285 -2.875 -1.810 1.00 0.00 N ATOM 227 CA THR A 13 -11.729 -3.999 -0.945 1.00 0.00 C ATOM 228 C THR A 13 -11.204 -5.318 -1.514 1.00 0.00 C ATOM 229 O THR A 13 -11.714 -5.831 -2.489 1.00 0.00 O ATOM 230 CB THR A 13 -13.260 -4.031 -0.897 1.00 0.00 C ATOM 231 OG1 THR A 13 -13.697 -5.343 -0.568 1.00 0.00 O ATOM 232 CG2 THR A 13 -13.823 -3.630 -2.261 1.00 0.00 C ATOM 0 H THR A 13 -11.587 -2.932 -2.783 1.00 0.00 H new ATOM 0 HA THR A 13 -11.339 -3.860 0.063 1.00 0.00 H new ATOM 0 HB THR A 13 -13.614 -3.331 -0.140 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.676 -5.363 -0.536 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.912 -3.653 -2.226 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.489 -2.623 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.470 -4.328 -3.020 1.00 0.00 H new ATOM 240 N CYS A 14 -10.188 -5.871 -0.911 1.00 0.00 N ATOM 241 CA CYS A 14 -9.631 -7.156 -1.419 1.00 0.00 C ATOM 242 C CYS A 14 -10.626 -8.286 -1.141 1.00 0.00 C ATOM 243 O CYS A 14 -11.523 -8.136 -0.335 1.00 0.00 O ATOM 244 CB CYS A 14 -8.309 -7.455 -0.713 1.00 0.00 C ATOM 245 SG CYS A 14 -6.955 -7.370 -1.912 1.00 0.00 S ATOM 0 H CYS A 14 -9.720 -5.489 -0.089 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.458 -7.078 -2.492 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.143 -6.738 0.091 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.343 -8.444 -0.256 1.00 0.00 H new ATOM 250 N PRO A 15 -10.433 -9.387 -1.821 1.00 0.00 N ATOM 251 CA PRO A 15 -11.296 -10.571 -1.676 1.00 0.00 C ATOM 252 C PRO A 15 -10.923 -11.347 -0.410 1.00 0.00 C ATOM 253 O PRO A 15 -10.224 -10.851 0.451 1.00 0.00 O ATOM 254 CB PRO A 15 -10.988 -11.393 -2.929 1.00 0.00 C ATOM 255 CG PRO A 15 -9.589 -10.939 -3.417 1.00 0.00 C ATOM 256 CD PRO A 15 -9.337 -9.552 -2.797 1.00 0.00 C ATOM 0 HA PRO A 15 -12.354 -10.325 -1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.994 -12.460 -2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.741 -11.225 -3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.821 -11.648 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.555 -10.889 -4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.362 -9.504 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.356 -8.768 -3.554 1.00 0.00 H new ATOM 264 N ALA A 16 -11.381 -12.563 -0.292 1.00 0.00 N ATOM 265 CA ALA A 16 -11.047 -13.368 0.915 1.00 0.00 C ATOM 266 C ALA A 16 -9.945 -14.369 0.566 1.00 0.00 C ATOM 267 O ALA A 16 -9.784 -15.383 1.217 1.00 0.00 O ATOM 268 CB ALA A 16 -12.292 -14.122 1.387 1.00 0.00 C ATOM 0 H ALA A 16 -11.971 -13.033 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.702 -12.708 1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.047 -14.711 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.078 -13.408 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.639 -14.784 0.594 1.00 0.00 H new ATOM 274 N GLY A 17 -9.185 -14.094 -0.459 1.00 0.00 N ATOM 275 CA GLY A 17 -8.095 -15.032 -0.850 1.00 0.00 C ATOM 276 C GLY A 17 -6.739 -14.338 -0.700 1.00 0.00 C ATOM 277 O GLY A 17 -5.699 -14.940 -0.883 1.00 0.00 O ATOM 0 H GLY A 17 -9.272 -13.261 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.129 -15.925 -0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.235 -15.359 -1.880 1.00 0.00 H new ATOM 281 N LYS A 18 -6.738 -13.075 -0.366 1.00 0.00 N ATOM 282 CA LYS A 18 -5.445 -12.351 -0.205 1.00 0.00 C ATOM 283 C LYS A 18 -4.990 -12.438 1.253 1.00 0.00 C ATOM 284 O LYS A 18 -5.505 -13.221 2.028 1.00 0.00 O ATOM 285 CB LYS A 18 -5.631 -10.884 -0.599 1.00 0.00 C ATOM 286 CG LYS A 18 -5.174 -10.685 -2.045 1.00 0.00 C ATOM 287 CD LYS A 18 -6.171 -11.353 -2.994 1.00 0.00 C ATOM 288 CE LYS A 18 -5.417 -12.257 -3.970 1.00 0.00 C ATOM 289 NZ LYS A 18 -5.160 -11.516 -5.237 1.00 0.00 N ATOM 0 H LYS A 18 -7.574 -12.515 -0.198 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.690 -12.805 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.677 -10.598 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.056 -10.241 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.099 -9.621 -2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.181 -11.112 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.895 -11.937 -2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.732 -10.596 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.475 -12.581 -3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.999 -13.156 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.647 -12.131 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.065 -11.228 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.588 -10.671 -5.035 1.00 0.00 H new ATOM 303 N ASN A 19 -4.025 -11.646 1.638 1.00 0.00 N ATOM 304 CA ASN A 19 -3.545 -11.696 3.048 1.00 0.00 C ATOM 305 C ASN A 19 -3.607 -10.300 3.670 1.00 0.00 C ATOM 306 O ASN A 19 -4.479 -10.009 4.465 1.00 0.00 O ATOM 307 CB ASN A 19 -2.104 -12.211 3.080 1.00 0.00 C ATOM 308 CG ASN A 19 -2.105 -13.709 3.393 1.00 0.00 C ATOM 309 OD1 ASN A 19 -1.775 -14.517 2.547 1.00 0.00 O ATOM 310 ND2 ASN A 19 -2.464 -14.117 4.579 1.00 0.00 N ATOM 0 H ASN A 19 -3.551 -10.970 1.040 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.184 -12.369 3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.620 -12.029 2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.530 -11.671 3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.468 -15.114 4.796 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.741 -13.439 5.289 1.00 0.00 H new ATOM 317 N LEU A 20 -2.693 -9.429 3.327 1.00 0.00 N ATOM 318 CA LEU A 20 -2.724 -8.062 3.925 1.00 0.00 C ATOM 319 C LEU A 20 -2.766 -6.996 2.822 1.00 0.00 C ATOM 320 O LEU A 20 -3.328 -7.206 1.764 1.00 0.00 O ATOM 321 CB LEU A 20 -1.487 -7.859 4.807 1.00 0.00 C ATOM 322 CG LEU A 20 -0.226 -7.875 3.945 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.425 -6.490 3.950 1.00 0.00 C ATOM 324 CD2 LEU A 20 0.759 -8.895 4.515 1.00 0.00 C ATOM 0 H LEU A 20 -1.935 -9.602 2.667 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.622 -7.962 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.561 -6.911 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.433 -8.645 5.560 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.492 -8.145 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.324 -6.508 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.275 -5.757 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.691 -6.217 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.661 -8.911 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.018 -8.619 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.301 -9.884 4.512 1.00 0.00 H new ATOM 336 N CYS A 21 -2.186 -5.850 3.067 1.00 0.00 N ATOM 337 CA CYS A 21 -2.204 -4.761 2.043 1.00 0.00 C ATOM 338 C CYS A 21 -1.053 -3.795 2.342 1.00 0.00 C ATOM 339 O CYS A 21 -0.757 -3.518 3.486 1.00 0.00 O ATOM 340 CB CYS A 21 -3.539 -4.012 2.139 1.00 0.00 C ATOM 341 SG CYS A 21 -4.345 -3.941 0.520 1.00 0.00 S ATOM 0 H CYS A 21 -1.699 -5.620 3.933 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.090 -5.176 1.041 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.192 -4.511 2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.370 -3.002 2.512 1.00 0.00 H new ATOM 346 N TYR A 22 -0.395 -3.284 1.337 1.00 0.00 N ATOM 347 CA TYR A 22 0.738 -2.351 1.606 1.00 0.00 C ATOM 348 C TYR A 22 0.714 -1.180 0.630 1.00 0.00 C ATOM 349 O TYR A 22 -0.100 -1.114 -0.268 1.00 0.00 O ATOM 350 CB TYR A 22 2.069 -3.097 1.459 1.00 0.00 C ATOM 351 CG TYR A 22 2.450 -3.223 -0.001 1.00 0.00 C ATOM 352 CD1 TYR A 22 1.607 -3.895 -0.894 1.00 0.00 C ATOM 353 CD2 TYR A 22 3.649 -2.667 -0.459 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.963 -4.011 -2.243 1.00 0.00 C ATOM 355 CE2 TYR A 22 4.006 -2.781 -1.807 1.00 0.00 C ATOM 356 CZ TYR A 22 3.163 -3.453 -2.699 1.00 0.00 C ATOM 357 OH TYR A 22 3.516 -3.567 -4.028 1.00 0.00 O ATOM 0 H TYR A 22 -0.589 -3.469 0.353 1.00 0.00 H new ATOM 0 HA TYR A 22 0.635 -1.970 2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.852 -2.566 2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.988 -4.088 1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.681 -4.325 -0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.300 -2.149 0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.312 -4.530 -2.931 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.932 -2.350 -2.159 1.00 0.00 H new ATOM 0 HH TYR A 22 4.299 -4.151 -4.110 1.00 0.00 H new ATOM 367 N LYS A 23 1.618 -0.261 0.802 1.00 0.00 N ATOM 368 CA LYS A 23 1.675 0.909 -0.111 1.00 0.00 C ATOM 369 C LYS A 23 3.041 0.936 -0.797 1.00 0.00 C ATOM 370 O LYS A 23 4.069 1.086 -0.159 1.00 0.00 O ATOM 371 CB LYS A 23 1.472 2.215 0.676 1.00 0.00 C ATOM 372 CG LYS A 23 0.905 1.915 2.068 1.00 0.00 C ATOM 373 CD LYS A 23 0.768 3.218 2.858 1.00 0.00 C ATOM 374 CE LYS A 23 0.057 2.940 4.184 1.00 0.00 C ATOM 375 NZ LYS A 23 0.684 3.747 5.267 1.00 0.00 N ATOM 0 H LYS A 23 2.323 -0.270 1.539 1.00 0.00 H new ATOM 0 HA LYS A 23 0.882 0.823 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.421 2.743 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.793 2.873 0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.066 1.428 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.561 1.224 2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.752 3.648 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.205 3.950 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.001 3.187 4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.119 1.879 4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.199 3.556 6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.688 3.491 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.603 4.758 5.038 1.00 0.00 H new ATOM 389 N MET A 24 3.060 0.798 -2.094 1.00 0.00 N ATOM 390 CA MET A 24 4.352 0.834 -2.827 1.00 0.00 C ATOM 391 C MET A 24 4.706 2.297 -3.076 1.00 0.00 C ATOM 392 O MET A 24 4.055 2.972 -3.849 1.00 0.00 O ATOM 393 CB MET A 24 4.209 0.101 -4.164 1.00 0.00 C ATOM 394 CG MET A 24 5.459 0.337 -5.012 1.00 0.00 C ATOM 395 SD MET A 24 4.985 1.092 -6.588 1.00 0.00 S ATOM 396 CE MET A 24 6.376 2.242 -6.715 1.00 0.00 C ATOM 0 H MET A 24 2.234 0.662 -2.677 1.00 0.00 H new ATOM 0 HA MET A 24 5.134 0.346 -2.246 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.069 -0.966 -3.992 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.325 0.457 -4.693 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.155 0.986 -4.480 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.975 -0.607 -5.189 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.285 2.823 -7.633 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.371 2.915 -5.858 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.311 1.682 -6.731 1.00 0.00 H new ATOM 406 N PHE A 25 5.713 2.797 -2.410 1.00 0.00 N ATOM 407 CA PHE A 25 6.093 4.227 -2.591 1.00 0.00 C ATOM 408 C PHE A 25 7.441 4.316 -3.310 1.00 0.00 C ATOM 409 O PHE A 25 7.948 3.339 -3.821 1.00 0.00 O ATOM 410 CB PHE A 25 6.215 4.897 -1.219 1.00 0.00 C ATOM 411 CG PHE A 25 4.855 5.046 -0.568 1.00 0.00 C ATOM 412 CD1 PHE A 25 3.690 4.641 -1.235 1.00 0.00 C ATOM 413 CD2 PHE A 25 4.765 5.584 0.721 1.00 0.00 C ATOM 414 CE1 PHE A 25 2.442 4.776 -0.612 1.00 0.00 C ATOM 415 CE2 PHE A 25 3.518 5.716 1.344 1.00 0.00 C ATOM 416 CZ PHE A 25 2.357 5.313 0.677 1.00 0.00 C ATOM 0 H PHE A 25 6.289 2.276 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 25 5.329 4.729 -3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.867 4.305 -0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.680 5.877 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.755 4.225 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.660 5.898 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.545 4.465 -1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.453 6.129 2.340 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.395 5.416 1.157 1.00 0.00 H new ATOM 426 N MET A 26 8.027 5.483 -3.348 1.00 0.00 N ATOM 427 CA MET A 26 9.344 5.633 -4.029 1.00 0.00 C ATOM 428 C MET A 26 10.221 6.604 -3.235 1.00 0.00 C ATOM 429 O MET A 26 9.734 7.399 -2.456 1.00 0.00 O ATOM 430 CB MET A 26 9.130 6.178 -5.443 1.00 0.00 C ATOM 431 CG MET A 26 8.294 5.184 -6.252 1.00 0.00 C ATOM 432 SD MET A 26 8.819 5.225 -7.983 1.00 0.00 S ATOM 433 CE MET A 26 10.060 3.913 -7.875 1.00 0.00 C ATOM 0 H MET A 26 7.651 6.337 -2.937 1.00 0.00 H new ATOM 0 HA MET A 26 9.836 4.662 -4.086 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.625 7.143 -5.400 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.091 6.342 -5.930 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.413 4.179 -5.848 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.236 5.435 -6.175 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.302 3.558 -8.877 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.961 4.302 -7.401 1.00 0.00 H new ATOM 0 HE3 MET A 26 9.666 3.087 -7.283 1.00 0.00 H new ATOM 443 N VAL A 27 11.511 6.548 -3.426 1.00 0.00 N ATOM 444 CA VAL A 27 12.414 7.469 -2.680 1.00 0.00 C ATOM 445 C VAL A 27 12.710 8.702 -3.537 1.00 0.00 C ATOM 446 O VAL A 27 12.892 9.791 -3.030 1.00 0.00 O ATOM 447 CB VAL A 27 13.722 6.747 -2.353 1.00 0.00 C ATOM 448 CG1 VAL A 27 14.751 7.759 -1.846 1.00 0.00 C ATOM 449 CG2 VAL A 27 13.467 5.696 -1.269 1.00 0.00 C ATOM 0 H VAL A 27 11.978 5.905 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 27 11.930 7.780 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 27 14.102 6.260 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.683 7.244 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.933 8.509 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.371 8.246 -0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.399 5.181 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.087 6.184 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.733 4.974 -1.628 1.00 0.00 H new ATOM 459 N SER A 28 12.758 8.540 -4.831 1.00 0.00 N ATOM 460 CA SER A 28 13.040 9.705 -5.717 1.00 0.00 C ATOM 461 C SER A 28 11.721 10.251 -6.269 1.00 0.00 C ATOM 462 O SER A 28 11.694 10.956 -7.258 1.00 0.00 O ATOM 463 CB SER A 28 13.935 9.262 -6.874 1.00 0.00 C ATOM 464 OG SER A 28 15.087 8.613 -6.353 1.00 0.00 O ATOM 0 H SER A 28 12.614 7.652 -5.313 1.00 0.00 H new ATOM 0 HA SER A 28 13.547 10.484 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.390 8.587 -7.533 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.228 10.124 -7.473 1.00 0.00 H new ATOM 0 HG SER A 28 15.663 8.326 -7.092 1.00 0.00 H new ATOM 470 N ASN A 29 10.626 9.928 -5.635 1.00 0.00 N ATOM 471 CA ASN A 29 9.307 10.425 -6.120 1.00 0.00 C ATOM 472 C ASN A 29 9.234 11.944 -5.938 1.00 0.00 C ATOM 473 O ASN A 29 10.186 12.577 -5.525 1.00 0.00 O ATOM 474 CB ASN A 29 8.187 9.762 -5.315 1.00 0.00 C ATOM 475 CG ASN A 29 7.186 9.111 -6.271 1.00 0.00 C ATOM 476 OD1 ASN A 29 5.995 9.328 -6.163 1.00 0.00 O ATOM 477 ND2 ASN A 29 7.621 8.315 -7.210 1.00 0.00 N ATOM 0 H ASN A 29 10.588 9.341 -4.802 1.00 0.00 H new ATOM 0 HA ASN A 29 9.192 10.180 -7.176 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.603 9.012 -4.642 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.684 10.503 -4.694 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.961 7.876 -7.852 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.620 8.132 -7.301 1.00 0.00 H new ATOM 484 N LEU A 30 8.110 12.532 -6.243 1.00 0.00 N ATOM 485 CA LEU A 30 7.973 14.008 -6.089 1.00 0.00 C ATOM 486 C LEU A 30 7.355 14.327 -4.724 1.00 0.00 C ATOM 487 O LEU A 30 7.215 15.474 -4.350 1.00 0.00 O ATOM 488 CB LEU A 30 7.068 14.554 -7.196 1.00 0.00 C ATOM 489 CG LEU A 30 5.642 14.041 -6.992 1.00 0.00 C ATOM 490 CD1 LEU A 30 4.675 15.225 -6.940 1.00 0.00 C ATOM 491 CD2 LEU A 30 5.259 13.123 -8.154 1.00 0.00 C ATOM 0 H LEU A 30 7.280 12.054 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 30 8.957 14.472 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.078 15.644 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.441 14.243 -8.172 1.00 0.00 H new ATOM 0 HG LEU A 30 5.588 13.486 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.659 14.859 -6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.946 15.880 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.730 15.781 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.243 12.757 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.314 13.679 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.947 12.278 -8.192 1.00 0.00 H new ATOM 503 N THR A 31 6.983 13.322 -3.977 1.00 0.00 N ATOM 504 CA THR A 31 6.374 13.575 -2.640 1.00 0.00 C ATOM 505 C THR A 31 6.834 12.497 -1.656 1.00 0.00 C ATOM 506 O THR A 31 7.583 12.762 -0.737 1.00 0.00 O ATOM 507 CB THR A 31 4.849 13.535 -2.761 1.00 0.00 C ATOM 508 OG1 THR A 31 4.470 12.450 -3.595 1.00 0.00 O ATOM 509 CG2 THR A 31 4.347 14.847 -3.368 1.00 0.00 C ATOM 0 H THR A 31 7.074 12.339 -4.234 1.00 0.00 H new ATOM 0 HA THR A 31 6.687 14.554 -2.278 1.00 0.00 H new ATOM 0 HB THR A 31 4.410 13.404 -1.772 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.493 12.422 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.261 14.816 -3.453 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.637 15.679 -2.727 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.785 14.981 -4.357 1.00 0.00 H new ATOM 517 N VAL A 32 6.389 11.285 -1.844 1.00 0.00 N ATOM 518 CA VAL A 32 6.788 10.180 -0.929 1.00 0.00 C ATOM 519 C VAL A 32 5.860 8.981 -1.167 1.00 0.00 C ATOM 520 O VAL A 32 6.322 7.893 -1.436 1.00 0.00 O ATOM 521 CB VAL A 32 6.713 10.667 0.535 1.00 0.00 C ATOM 522 CG1 VAL A 32 6.111 9.591 1.450 1.00 0.00 C ATOM 523 CG2 VAL A 32 8.125 10.996 1.026 1.00 0.00 C ATOM 0 H VAL A 32 5.760 11.011 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 32 7.815 9.872 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 32 6.075 11.550 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.072 9.964 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.103 9.349 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.730 8.695 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.080 11.341 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.748 10.103 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.554 11.779 0.401 1.00 0.00 H new ATOM 533 N PRO A 33 4.577 9.218 -1.066 1.00 0.00 N ATOM 534 CA PRO A 33 3.563 8.169 -1.271 1.00 0.00 C ATOM 535 C PRO A 33 3.385 7.893 -2.766 1.00 0.00 C ATOM 536 O PRO A 33 3.809 8.666 -3.602 1.00 0.00 O ATOM 537 CB PRO A 33 2.293 8.772 -0.662 1.00 0.00 C ATOM 538 CG PRO A 33 2.499 10.306 -0.656 1.00 0.00 C ATOM 539 CD PRO A 33 4.018 10.547 -0.742 1.00 0.00 C ATOM 0 HA PRO A 33 3.828 7.214 -0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.414 8.500 -1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.131 8.398 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.985 10.769 -1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.087 10.749 0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.262 11.280 -1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.415 10.928 0.199 1.00 0.00 H new ATOM 547 N VAL A 34 2.761 6.800 -3.113 1.00 0.00 N ATOM 548 CA VAL A 34 2.566 6.488 -4.554 1.00 0.00 C ATOM 549 C VAL A 34 1.314 5.625 -4.742 1.00 0.00 C ATOM 550 O VAL A 34 0.334 6.065 -5.310 1.00 0.00 O ATOM 551 CB VAL A 34 3.788 5.747 -5.093 1.00 0.00 C ATOM 552 CG1 VAL A 34 3.486 5.214 -6.495 1.00 0.00 C ATOM 553 CG2 VAL A 34 4.980 6.706 -5.158 1.00 0.00 C ATOM 0 H VAL A 34 2.380 6.113 -2.462 1.00 0.00 H new ATOM 0 HA VAL A 34 2.439 7.421 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 34 4.027 4.914 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.358 4.685 -6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.638 4.530 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.246 6.046 -7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.852 6.177 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.741 7.540 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.197 7.085 -4.159 1.00 0.00 H new ATOM 563 N LYS A 35 1.327 4.398 -4.280 1.00 0.00 N ATOM 564 CA LYS A 35 0.117 3.538 -4.459 1.00 0.00 C ATOM 565 C LYS A 35 0.089 2.425 -3.405 1.00 0.00 C ATOM 566 O LYS A 35 0.945 2.343 -2.548 1.00 0.00 O ATOM 567 CB LYS A 35 0.139 2.914 -5.857 1.00 0.00 C ATOM 568 CG LYS A 35 1.284 1.904 -5.950 1.00 0.00 C ATOM 569 CD LYS A 35 0.710 0.492 -6.095 1.00 0.00 C ATOM 570 CE LYS A 35 0.479 0.182 -7.575 1.00 0.00 C ATOM 571 NZ LYS A 35 -0.889 -0.383 -7.759 1.00 0.00 N ATOM 0 H LYS A 35 2.110 3.961 -3.794 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.774 4.155 -4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.812 2.421 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.264 3.691 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.921 2.138 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.909 1.964 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.396 -0.237 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.228 0.411 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.592 1.089 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.227 -0.527 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.045 -0.593 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.981 -1.258 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.596 0.308 -7.436 1.00 0.00 H new ATOM 585 N ARG A 36 -0.902 1.569 -3.465 1.00 0.00 N ATOM 586 CA ARG A 36 -1.003 0.455 -2.474 1.00 0.00 C ATOM 587 C ARG A 36 -1.859 -0.672 -3.068 1.00 0.00 C ATOM 588 O ARG A 36 -2.794 -0.435 -3.808 1.00 0.00 O ATOM 589 CB ARG A 36 -1.636 0.990 -1.172 1.00 0.00 C ATOM 590 CG ARG A 36 -2.456 -0.106 -0.465 1.00 0.00 C ATOM 591 CD ARG A 36 -2.287 0.000 1.056 1.00 0.00 C ATOM 592 NE ARG A 36 -2.181 1.429 1.469 1.00 0.00 N ATOM 593 CZ ARG A 36 -2.350 1.760 2.719 1.00 0.00 C ATOM 594 NH1 ARG A 36 -1.761 1.073 3.660 1.00 0.00 N ATOM 595 NH2 ARG A 36 -3.106 2.778 3.027 1.00 0.00 N ATOM 0 H ARG A 36 -1.647 1.595 -4.161 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.012 0.061 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.853 1.351 -0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.279 1.841 -1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.509 -0.009 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.132 -1.089 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.135 -0.468 1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.394 -0.542 1.368 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.976 2.147 0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.169 0.278 3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.892 1.331 4.638 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.564 3.314 2.290 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.239 3.037 4.004 1.00 0.00 H new ATOM 609 N GLY A 37 -1.547 -1.895 -2.735 1.00 0.00 N ATOM 610 CA GLY A 37 -2.337 -3.046 -3.262 1.00 0.00 C ATOM 611 C GLY A 37 -2.422 -4.128 -2.182 1.00 0.00 C ATOM 612 O GLY A 37 -2.089 -3.896 -1.037 1.00 0.00 O ATOM 0 H GLY A 37 -0.775 -2.148 -2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.337 -2.718 -3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.866 -3.446 -4.160 1.00 0.00 H new ATOM 616 N CYS A 38 -2.859 -5.307 -2.529 1.00 0.00 N ATOM 617 CA CYS A 38 -2.953 -6.391 -1.509 1.00 0.00 C ATOM 618 C CYS A 38 -1.570 -7.010 -1.300 1.00 0.00 C ATOM 619 O CYS A 38 -0.594 -6.570 -1.876 1.00 0.00 O ATOM 620 CB CYS A 38 -3.932 -7.464 -1.987 1.00 0.00 C ATOM 621 SG CYS A 38 -5.289 -7.609 -0.797 1.00 0.00 S ATOM 0 H CYS A 38 -3.154 -5.567 -3.470 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.311 -5.975 -0.567 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.322 -7.204 -2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.419 -8.420 -2.090 1.00 0.00 H new ATOM 626 N ILE A 39 -1.468 -8.021 -0.478 1.00 0.00 N ATOM 627 CA ILE A 39 -0.135 -8.645 -0.242 1.00 0.00 C ATOM 628 C ILE A 39 -0.304 -10.084 0.257 1.00 0.00 C ATOM 629 O ILE A 39 -1.328 -10.460 0.793 1.00 0.00 O ATOM 630 CB ILE A 39 0.626 -7.811 0.808 1.00 0.00 C ATOM 631 CG1 ILE A 39 1.599 -6.874 0.104 1.00 0.00 C ATOM 632 CG2 ILE A 39 1.424 -8.708 1.764 1.00 0.00 C ATOM 633 CD1 ILE A 39 2.486 -6.209 1.157 1.00 0.00 C ATOM 0 H ILE A 39 -2.244 -8.438 0.036 1.00 0.00 H new ATOM 0 HA ILE A 39 0.427 -8.668 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.109 -7.247 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.209 -7.429 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.054 -6.119 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.949 -8.089 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.743 -9.381 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.148 -9.292 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.189 -5.535 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.865 -5.644 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.038 -6.974 1.703 1.00 0.00 H new ATOM 645 N ASP A 40 0.729 -10.869 0.107 1.00 0.00 N ATOM 646 CA ASP A 40 0.698 -12.277 0.586 1.00 0.00 C ATOM 647 C ASP A 40 1.721 -12.417 1.716 1.00 0.00 C ATOM 648 O ASP A 40 1.578 -13.228 2.610 1.00 0.00 O ATOM 649 CB ASP A 40 1.066 -13.220 -0.562 1.00 0.00 C ATOM 650 CG ASP A 40 0.324 -14.548 -0.390 1.00 0.00 C ATOM 651 OD1 ASP A 40 -0.040 -14.858 0.733 1.00 0.00 O ATOM 652 OD2 ASP A 40 0.134 -15.231 -1.382 1.00 0.00 O ATOM 0 H ASP A 40 1.605 -10.588 -0.334 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.299 -12.533 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.804 -12.766 -1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.142 -13.392 -0.575 1.00 0.00 H new ATOM 657 N VAL A 41 2.753 -11.612 1.679 1.00 0.00 N ATOM 658 CA VAL A 41 3.797 -11.660 2.741 1.00 0.00 C ATOM 659 C VAL A 41 4.538 -10.320 2.763 1.00 0.00 C ATOM 660 O VAL A 41 4.604 -9.624 1.769 1.00 0.00 O ATOM 661 CB VAL A 41 4.788 -12.787 2.439 1.00 0.00 C ATOM 662 CG1 VAL A 41 4.261 -14.099 3.020 1.00 0.00 C ATOM 663 CG2 VAL A 41 4.952 -12.930 0.924 1.00 0.00 C ATOM 0 H VAL A 41 2.916 -10.918 0.950 1.00 0.00 H new ATOM 0 HA VAL A 41 3.332 -11.845 3.709 1.00 0.00 H new ATOM 0 HB VAL A 41 5.753 -12.552 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.967 -14.902 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.144 -13.998 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.296 -14.334 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.658 -13.732 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.987 -13.165 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.328 -11.995 0.509 1.00 0.00 H new ATOM 673 N CYS A 42 5.087 -9.943 3.886 1.00 0.00 N ATOM 674 CA CYS A 42 5.811 -8.639 3.958 1.00 0.00 C ATOM 675 C CYS A 42 7.314 -8.886 4.135 1.00 0.00 C ATOM 676 O CYS A 42 7.774 -9.121 5.235 1.00 0.00 O ATOM 677 CB CYS A 42 5.287 -7.831 5.147 1.00 0.00 C ATOM 678 SG CYS A 42 6.203 -6.275 5.271 1.00 0.00 S ATOM 0 H CYS A 42 5.066 -10.478 4.754 1.00 0.00 H new ATOM 0 HA CYS A 42 5.644 -8.085 3.034 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.223 -7.630 5.023 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.398 -8.405 6.067 1.00 0.00 H new ATOM 683 N PRO A 43 8.038 -8.819 3.045 1.00 0.00 N ATOM 684 CA PRO A 43 9.497 -9.023 3.047 1.00 0.00 C ATOM 685 C PRO A 43 10.213 -7.760 3.541 1.00 0.00 C ATOM 686 O PRO A 43 9.632 -6.930 4.213 1.00 0.00 O ATOM 687 CB PRO A 43 9.823 -9.296 1.575 1.00 0.00 C ATOM 688 CG PRO A 43 8.666 -8.683 0.751 1.00 0.00 C ATOM 689 CD PRO A 43 7.470 -8.536 1.711 1.00 0.00 C ATOM 0 HA PRO A 43 9.817 -9.830 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.777 -8.847 1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.908 -10.366 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.954 -7.715 0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.409 -9.324 -0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.043 -7.534 1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.671 -9.235 1.462 1.00 0.00 H new ATOM 697 N LYS A 44 11.468 -7.608 3.214 1.00 0.00 N ATOM 698 CA LYS A 44 12.217 -6.400 3.665 1.00 0.00 C ATOM 699 C LYS A 44 11.894 -5.225 2.742 1.00 0.00 C ATOM 700 O LYS A 44 11.146 -5.354 1.793 1.00 0.00 O ATOM 701 CB LYS A 44 13.719 -6.685 3.619 1.00 0.00 C ATOM 702 CG LYS A 44 14.410 -5.982 4.788 1.00 0.00 C ATOM 703 CD LYS A 44 15.199 -7.007 5.605 1.00 0.00 C ATOM 704 CE LYS A 44 16.033 -6.285 6.666 1.00 0.00 C ATOM 705 NZ LYS A 44 17.481 -6.531 6.412 1.00 0.00 N ATOM 0 H LYS A 44 12.007 -8.268 2.654 1.00 0.00 H new ATOM 0 HA LYS A 44 11.924 -6.152 4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.897 -7.759 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.137 -6.337 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.078 -5.206 4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.670 -5.490 5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.516 -7.711 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.849 -7.587 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.825 -5.215 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.762 -6.640 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.048 -6.041 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.673 -7.552 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.734 -6.172 5.469 1.00 0.00 H new ATOM 719 N ASN A 45 12.455 -4.076 3.009 1.00 0.00 N ATOM 720 CA ASN A 45 12.182 -2.893 2.145 1.00 0.00 C ATOM 721 C ASN A 45 13.307 -2.739 1.119 1.00 0.00 C ATOM 722 O ASN A 45 14.351 -3.353 1.231 1.00 0.00 O ATOM 723 CB ASN A 45 12.100 -1.630 3.007 1.00 0.00 C ATOM 724 CG ASN A 45 13.169 -1.683 4.100 1.00 0.00 C ATOM 725 OD1 ASN A 45 14.337 -1.484 3.833 1.00 0.00 O ATOM 726 ND2 ASN A 45 12.815 -1.943 5.328 1.00 0.00 N ATOM 0 H ASN A 45 13.091 -3.906 3.789 1.00 0.00 H new ATOM 0 HA ASN A 45 11.234 -3.037 1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.243 -0.745 2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.110 -1.548 3.456 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.519 -1.979 6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.834 -2.110 5.551 1.00 0.00 H new ATOM 733 N SER A 46 13.104 -1.926 0.118 1.00 0.00 N ATOM 734 CA SER A 46 14.161 -1.735 -0.914 1.00 0.00 C ATOM 735 C SER A 46 14.576 -0.264 -0.955 1.00 0.00 C ATOM 736 O SER A 46 14.013 0.571 -0.272 1.00 0.00 O ATOM 737 CB SER A 46 13.614 -2.147 -2.281 1.00 0.00 C ATOM 738 OG SER A 46 14.515 -1.722 -3.295 1.00 0.00 O ATOM 0 H SER A 46 12.251 -1.386 -0.029 1.00 0.00 H new ATOM 0 HA SER A 46 15.027 -2.349 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.485 -3.229 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.632 -1.702 -2.442 1.00 0.00 H new ATOM 0 HG SER A 46 14.168 -1.986 -4.173 1.00 0.00 H new ATOM 744 N ALA A 47 15.559 0.064 -1.749 1.00 0.00 N ATOM 745 CA ALA A 47 16.010 1.481 -1.832 1.00 0.00 C ATOM 746 C ALA A 47 15.398 2.142 -3.070 1.00 0.00 C ATOM 747 O ALA A 47 15.800 3.214 -3.476 1.00 0.00 O ATOM 748 CB ALA A 47 17.537 1.525 -1.933 1.00 0.00 C ATOM 0 H ALA A 47 16.069 -0.589 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 47 15.688 2.017 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.868 2.562 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.974 1.056 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.858 0.989 -2.826 1.00 0.00 H new ATOM 754 N LEU A 48 14.430 1.509 -3.676 1.00 0.00 N ATOM 755 CA LEU A 48 13.795 2.102 -4.886 1.00 0.00 C ATOM 756 C LEU A 48 12.301 2.313 -4.632 1.00 0.00 C ATOM 757 O LEU A 48 11.644 3.066 -5.322 1.00 0.00 O ATOM 758 CB LEU A 48 13.982 1.158 -6.076 1.00 0.00 C ATOM 759 CG LEU A 48 15.343 0.469 -5.970 1.00 0.00 C ATOM 760 CD1 LEU A 48 15.575 -0.397 -7.210 1.00 0.00 C ATOM 761 CD2 LEU A 48 16.445 1.527 -5.876 1.00 0.00 C ATOM 0 H LEU A 48 14.052 0.607 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 48 14.263 3.061 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.186 0.414 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.916 1.716 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 48 15.363 -0.158 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.545 -0.888 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.791 -1.151 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.554 0.230 -8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.415 1.036 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.424 2.154 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.281 2.145 -4.993 1.00 0.00 H new ATOM 773 N VAL A 49 11.760 1.653 -3.644 1.00 0.00 N ATOM 774 CA VAL A 49 10.309 1.815 -3.345 1.00 0.00 C ATOM 775 C VAL A 49 10.078 1.584 -1.849 1.00 0.00 C ATOM 776 O VAL A 49 10.689 0.726 -1.241 1.00 0.00 O ATOM 777 CB VAL A 49 9.500 0.803 -4.177 1.00 0.00 C ATOM 778 CG1 VAL A 49 10.325 -0.467 -4.381 1.00 0.00 C ATOM 779 CG2 VAL A 49 8.189 0.444 -3.463 1.00 0.00 C ATOM 0 H VAL A 49 12.260 1.009 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 49 9.982 2.822 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 49 9.266 1.254 -5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.751 -1.183 -4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.248 -0.221 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.565 -0.904 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.631 -0.272 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.413 0.004 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.592 1.345 -3.324 1.00 0.00 H new ATOM 789 N LYS A 50 9.197 2.339 -1.256 1.00 0.00 N ATOM 790 CA LYS A 50 8.923 2.158 0.196 1.00 0.00 C ATOM 791 C LYS A 50 7.784 1.154 0.368 1.00 0.00 C ATOM 792 O LYS A 50 6.630 1.462 0.146 1.00 0.00 O ATOM 793 CB LYS A 50 8.525 3.497 0.813 1.00 0.00 C ATOM 794 CG LYS A 50 9.482 3.846 1.953 1.00 0.00 C ATOM 795 CD LYS A 50 9.740 5.354 1.954 1.00 0.00 C ATOM 796 CE LYS A 50 11.172 5.630 2.412 1.00 0.00 C ATOM 797 NZ LYS A 50 11.445 7.093 2.334 1.00 0.00 N ATOM 0 H LYS A 50 8.655 3.073 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 50 9.818 1.786 0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.548 4.279 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.502 3.446 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.056 3.538 2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.421 3.305 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.582 5.761 0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.033 5.853 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.313 5.277 3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.877 5.084 1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.419 7.281 2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.327 7.416 1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.780 7.604 2.949 1.00 0.00 H new ATOM 811 N TYR A 51 8.105 -0.046 0.758 1.00 0.00 N ATOM 812 CA TYR A 51 7.053 -1.084 0.945 1.00 0.00 C ATOM 813 C TYR A 51 6.404 -0.906 2.317 1.00 0.00 C ATOM 814 O TYR A 51 6.988 -1.231 3.332 1.00 0.00 O ATOM 815 CB TYR A 51 7.694 -2.471 0.871 1.00 0.00 C ATOM 816 CG TYR A 51 7.156 -3.223 -0.322 1.00 0.00 C ATOM 817 CD1 TYR A 51 7.400 -2.751 -1.617 1.00 0.00 C ATOM 818 CD2 TYR A 51 6.418 -4.399 -0.134 1.00 0.00 C ATOM 819 CE1 TYR A 51 6.906 -3.453 -2.723 1.00 0.00 C ATOM 820 CE2 TYR A 51 5.925 -5.101 -1.239 1.00 0.00 C ATOM 821 CZ TYR A 51 6.169 -4.628 -2.535 1.00 0.00 C ATOM 822 OH TYR A 51 5.682 -5.320 -3.625 1.00 0.00 O ATOM 0 H TYR A 51 9.056 -0.355 0.957 1.00 0.00 H new ATOM 0 HA TYR A 51 6.298 -0.983 0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.777 -2.377 0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.486 -3.026 1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.969 -1.845 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.230 -4.764 0.865 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.094 -3.088 -3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.356 -6.008 -1.093 1.00 0.00 H new ATOM 0 HH TYR A 51 5.194 -6.112 -3.318 1.00 0.00 H new ATOM 832 N VAL A 52 5.200 -0.404 2.365 1.00 0.00 N ATOM 833 CA VAL A 52 4.534 -0.229 3.690 1.00 0.00 C ATOM 834 C VAL A 52 3.466 -1.312 3.865 1.00 0.00 C ATOM 835 O VAL A 52 2.305 -1.105 3.575 1.00 0.00 O ATOM 836 CB VAL A 52 3.887 1.163 3.788 1.00 0.00 C ATOM 837 CG1 VAL A 52 4.715 2.045 4.723 1.00 0.00 C ATOM 838 CG2 VAL A 52 3.827 1.819 2.408 1.00 0.00 C ATOM 0 H VAL A 52 4.653 -0.110 1.556 1.00 0.00 H new ATOM 0 HA VAL A 52 5.281 -0.318 4.479 1.00 0.00 H new ATOM 0 HB VAL A 52 2.875 1.052 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.257 3.032 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.752 1.591 5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.727 2.142 4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.367 2.803 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.837 1.923 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.235 1.198 1.736 1.00 0.00 H new ATOM 848 N CYS A 53 3.854 -2.473 4.331 1.00 0.00 N ATOM 849 CA CYS A 53 2.866 -3.576 4.519 1.00 0.00 C ATOM 850 C CYS A 53 2.107 -3.380 5.832 1.00 0.00 C ATOM 851 O CYS A 53 2.648 -2.911 6.813 1.00 0.00 O ATOM 852 CB CYS A 53 3.596 -4.922 4.544 1.00 0.00 C ATOM 853 SG CYS A 53 4.823 -4.926 5.874 1.00 0.00 S ATOM 0 H CYS A 53 4.814 -2.703 4.589 1.00 0.00 H new ATOM 0 HA CYS A 53 2.157 -3.563 3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.881 -5.731 4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.084 -5.100 3.586 1.00 0.00 H new ATOM 858 N CYS A 54 0.852 -3.743 5.856 1.00 0.00 N ATOM 859 CA CYS A 54 0.053 -3.586 7.102 1.00 0.00 C ATOM 860 C CYS A 54 -1.184 -4.468 7.037 1.00 0.00 C ATOM 861 O CYS A 54 -1.559 -4.968 5.990 1.00 0.00 O ATOM 862 CB CYS A 54 -0.405 -2.135 7.267 1.00 0.00 C ATOM 863 SG CYS A 54 -1.387 -1.634 5.831 1.00 0.00 S ATOM 0 H CYS A 54 0.347 -4.142 5.065 1.00 0.00 H new ATOM 0 HA CYS A 54 0.682 -3.873 7.945 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.996 -2.032 8.177 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.460 -1.481 7.373 1.00 0.00 H new ATOM 868 N ASN A 55 -1.835 -4.629 8.150 1.00 0.00 N ATOM 869 CA ASN A 55 -3.078 -5.439 8.193 1.00 0.00 C ATOM 870 C ASN A 55 -4.099 -4.681 9.036 1.00 0.00 C ATOM 871 O ASN A 55 -5.013 -5.254 9.595 1.00 0.00 O ATOM 872 CB ASN A 55 -2.820 -6.821 8.811 1.00 0.00 C ATOM 873 CG ASN A 55 -1.330 -7.005 9.092 1.00 0.00 C ATOM 874 OD1 ASN A 55 -0.828 -6.579 10.113 1.00 0.00 O ATOM 875 ND2 ASN A 55 -0.600 -7.631 8.213 1.00 0.00 N ATOM 0 H ASN A 55 -1.554 -4.228 9.045 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.446 -5.595 7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.387 -6.925 9.736 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.169 -7.601 8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.397 -7.765 8.381 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.026 -7.987 7.357 1.00 0.00 H new ATOM 882 N THR A 56 -3.944 -3.385 9.130 1.00 0.00 N ATOM 883 CA THR A 56 -4.901 -2.574 9.935 1.00 0.00 C ATOM 884 C THR A 56 -6.186 -2.358 9.128 1.00 0.00 C ATOM 885 O THR A 56 -6.424 -3.022 8.140 1.00 0.00 O ATOM 886 CB THR A 56 -4.263 -1.220 10.262 1.00 0.00 C ATOM 887 OG1 THR A 56 -3.552 -0.747 9.126 1.00 0.00 O ATOM 888 CG2 THR A 56 -3.302 -1.378 11.440 1.00 0.00 C ATOM 0 H THR A 56 -3.196 -2.855 8.683 1.00 0.00 H new ATOM 0 HA THR A 56 -5.140 -3.096 10.862 1.00 0.00 H new ATOM 0 HB THR A 56 -5.042 -0.505 10.527 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.144 0.120 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.849 -0.414 11.672 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.850 -1.740 12.310 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.521 -2.093 11.179 1.00 0.00 H new ATOM 896 N ASP A 57 -7.022 -1.446 9.547 1.00 0.00 N ATOM 897 CA ASP A 57 -8.297 -1.201 8.810 1.00 0.00 C ATOM 898 C ASP A 57 -8.006 -0.716 7.384 1.00 0.00 C ATOM 899 O ASP A 57 -8.894 -0.626 6.559 1.00 0.00 O ATOM 900 CB ASP A 57 -9.112 -0.139 9.550 1.00 0.00 C ATOM 901 CG ASP A 57 -10.102 -0.822 10.497 1.00 0.00 C ATOM 902 OD1 ASP A 57 -9.763 -1.867 11.024 1.00 0.00 O ATOM 903 OD2 ASP A 57 -11.183 -0.285 10.677 1.00 0.00 O ATOM 0 H ASP A 57 -6.877 -0.859 10.369 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.860 -2.133 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.448 0.517 10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.648 0.486 8.836 1.00 0.00 H new ATOM 908 N ARG A 58 -6.774 -0.404 7.080 1.00 0.00 N ATOM 909 CA ARG A 58 -6.446 0.071 5.706 1.00 0.00 C ATOM 910 C ARG A 58 -5.687 -1.027 4.959 1.00 0.00 C ATOM 911 O ARG A 58 -4.975 -0.770 4.010 1.00 0.00 O ATOM 912 CB ARG A 58 -5.575 1.327 5.795 1.00 0.00 C ATOM 913 CG ARG A 58 -4.243 0.979 6.461 1.00 0.00 C ATOM 914 CD ARG A 58 -3.637 2.239 7.083 1.00 0.00 C ATOM 915 NE ARG A 58 -4.138 2.395 8.478 1.00 0.00 N ATOM 916 CZ ARG A 58 -4.119 3.568 9.052 1.00 0.00 C ATOM 917 NH1 ARG A 58 -3.476 4.557 8.495 1.00 0.00 N ATOM 918 NH2 ARG A 58 -4.741 3.749 10.185 1.00 0.00 N ATOM 0 H ARG A 58 -5.983 -0.458 7.722 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.366 0.306 5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.400 1.732 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.089 2.099 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.396 0.220 7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.557 0.557 5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.549 2.171 7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.903 3.114 6.490 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.496 1.585 8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.988 4.414 7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.461 5.473 8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.241 2.975 10.621 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.727 4.665 10.634 1.00 0.00 H new ATOM 932 N CYS A 59 -5.844 -2.254 5.377 1.00 0.00 N ATOM 933 CA CYS A 59 -5.143 -3.375 4.691 1.00 0.00 C ATOM 934 C CYS A 59 -5.851 -4.697 5.007 1.00 0.00 C ATOM 935 O CYS A 59 -6.562 -5.241 4.186 1.00 0.00 O ATOM 936 CB CYS A 59 -3.682 -3.473 5.152 1.00 0.00 C ATOM 937 SG CYS A 59 -3.286 -2.141 6.313 1.00 0.00 S ATOM 0 H CYS A 59 -6.429 -2.528 6.166 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.164 -3.182 3.618 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.509 -4.439 5.627 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.019 -3.419 4.289 1.00 0.00 H new ATOM 942 N ASN A 60 -5.657 -5.224 6.188 1.00 0.00 N ATOM 943 CA ASN A 60 -6.315 -6.514 6.546 1.00 0.00 C ATOM 944 C ASN A 60 -7.191 -6.306 7.789 1.00 0.00 C ATOM 945 O ASN A 60 -7.744 -7.281 8.270 1.00 0.00 O ATOM 946 CB ASN A 60 -5.227 -7.589 6.793 1.00 0.00 C ATOM 947 CG ASN A 60 -5.358 -8.218 8.188 1.00 0.00 C ATOM 948 OD1 ASN A 60 -5.398 -7.519 9.182 1.00 0.00 O ATOM 949 ND2 ASN A 60 -5.426 -9.517 8.300 1.00 0.00 N ATOM 950 OXT ASN A 60 -7.292 -5.176 8.235 1.00 0.00 O ATOM 0 H ASN A 60 -5.072 -4.817 6.918 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.954 -6.856 5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.305 -8.367 6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.240 -7.139 6.688 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.513 -9.946 9.222 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.392 -10.103 7.466 1.00 0.00 H new TER 957 ASN A 60