USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 489 hydrogens (2 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 1 LEU N :NH3+ 168:sc= -0.0238 (180deg=-0.126) USER MOD Set 1.2: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.68 K(o=-1.7,f=-6!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.279 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= 1.14 (180deg=-0.622) USER MOD Single : A 24 MET CE :methyl -119:sc= -8.79! (180deg=-15.2!) USER MOD Single : A 26 MET CE :methyl 162:sc= -0.0174 (180deg=-0.203) USER MOD Single : A 27 MET CE :methyl 150:sc= 0 (180deg=-1.09) USER MOD Single : A 28 SER OG : rot 180:sc= -0.266 USER MOD Single : A 31 THR OG1 : rot -9:sc= 0.947 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= -0.529 K(o=-0.53,f=-3.6!) USER MOD Single : A 46 SER OG : rot -22:sc= 1.86 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.3) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 60 ASN : amide:sc= -8.13! C(o=-8.1!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 7.485 11.878 -0.247 1.00 0.00 N ATOM 2 CA LEU A 1 6.365 10.977 -0.454 1.00 0.00 C ATOM 3 C LEU A 1 6.872 9.670 -1.067 1.00 0.00 C ATOM 4 O LEU A 1 6.552 9.351 -2.211 1.00 0.00 O ATOM 5 CB LEU A 1 5.273 11.660 -1.279 1.00 0.00 C ATOM 6 CG LEU A 1 5.672 12.094 -2.691 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.975 11.234 -3.748 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.408 13.586 -2.901 1.00 0.00 C ATOM 0 H1 LEU A 1 7.129 12.830 -0.025 1.00 0.00 H new ATOM 0 H2 LEU A 1 8.067 11.533 0.543 1.00 0.00 H new ATOM 0 H3 LEU A 1 8.063 11.918 -1.111 1.00 0.00 H new ATOM 0 HA LEU A 1 5.901 10.723 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.424 10.980 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.929 12.539 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 1 6.745 11.937 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.276 11.564 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.257 10.190 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.895 11.335 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.700 13.868 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.347 13.791 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.988 14.163 -2.181 1.00 0.00 H new ATOM 20 N LYS A 2 7.655 8.948 -0.279 1.00 0.00 N ATOM 21 CA LYS A 2 8.211 7.684 -0.730 1.00 0.00 C ATOM 22 C LYS A 2 7.791 6.574 0.237 1.00 0.00 C ATOM 23 O LYS A 2 7.713 6.795 1.444 1.00 0.00 O ATOM 24 CB LYS A 2 9.725 7.799 -0.914 1.00 0.00 C ATOM 25 CG LYS A 2 10.073 8.885 -1.933 1.00 0.00 C ATOM 26 CD LYS A 2 11.325 9.654 -1.509 1.00 0.00 C ATOM 27 CE LYS A 2 10.975 11.081 -1.083 1.00 0.00 C ATOM 28 NZ LYS A 2 10.773 11.150 0.381 1.00 0.00 N ATOM 0 H LYS A 2 7.918 9.215 0.670 1.00 0.00 H new ATOM 0 HA LYS A 2 7.814 7.421 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.195 8.029 0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.128 6.842 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.234 8.432 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.235 9.575 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.813 9.134 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.036 9.681 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.774 11.761 -1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.071 11.409 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.536 12.125 0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.995 10.516 0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.645 10.857 0.866 1.00 0.00 H new ATOM 42 N CYS A 3 7.533 5.404 -0.331 1.00 0.00 N ATOM 43 CA CYS A 3 7.124 4.260 0.465 1.00 0.00 C ATOM 44 C CYS A 3 7.881 3.030 -0.039 1.00 0.00 C ATOM 45 O CYS A 3 8.363 3.013 -1.171 1.00 0.00 O ATOM 46 CB CYS A 3 5.609 4.055 0.424 1.00 0.00 C ATOM 47 SG CYS A 3 4.668 5.032 1.653 1.00 0.00 S ATOM 0 H CYS A 3 7.600 5.225 -1.333 1.00 0.00 H new ATOM 0 HA CYS A 3 7.372 4.434 1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.249 4.309 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.395 2.998 0.581 1.00 0.00 H new ATOM 52 N ASN A 4 7.962 2.029 0.826 1.00 0.00 N ATOM 53 CA ASN A 4 8.652 0.797 0.484 1.00 0.00 C ATOM 54 C ASN A 4 7.878 0.075 -0.621 1.00 0.00 C ATOM 55 O ASN A 4 6.681 0.302 -0.795 1.00 0.00 O ATOM 56 CB ASN A 4 8.740 -0.140 1.690 1.00 0.00 C ATOM 57 CG ASN A 4 8.987 0.648 2.979 1.00 0.00 C ATOM 58 OD1 ASN A 4 9.528 1.742 2.974 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.565 0.032 4.078 1.00 0.00 N ATOM 0 H ASN A 4 7.561 2.047 1.764 1.00 0.00 H new ATOM 0 HA ASN A 4 9.659 1.055 0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.816 -0.711 1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.545 -0.859 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.686 0.474 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.120 -0.883 4.011 1.00 0.00 H new ATOM 66 N LYS A 5 8.592 -0.781 -1.337 1.00 0.00 N ATOM 67 CA LYS A 5 7.985 -1.538 -2.420 1.00 0.00 C ATOM 68 C LYS A 5 7.580 -2.921 -1.905 1.00 0.00 C ATOM 69 O LYS A 5 7.594 -3.167 -0.700 1.00 0.00 O ATOM 70 CB LYS A 5 8.921 -1.582 -3.631 1.00 0.00 C ATOM 71 CG LYS A 5 9.067 -0.195 -4.261 1.00 0.00 C ATOM 72 CD LYS A 5 7.978 0.050 -5.307 1.00 0.00 C ATOM 73 CE LYS A 5 6.647 0.404 -4.640 1.00 0.00 C ATOM 74 NZ LYS A 5 5.936 1.441 -5.420 1.00 0.00 N ATOM 0 H LYS A 5 9.584 -0.967 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 5 7.075 -1.048 -2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.900 -1.952 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.532 -2.282 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.009 0.568 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.049 -0.104 -4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.282 0.859 -5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.854 -0.840 -5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.026 -0.488 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.825 0.762 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.035 1.669 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.524 2.297 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.749 1.086 -6.380 1.00 0.00 H new ATOM 88 N LEU A 6 7.230 -3.787 -2.844 1.00 0.00 N ATOM 89 CA LEU A 6 6.822 -5.139 -2.500 1.00 0.00 C ATOM 90 C LEU A 6 7.775 -5.702 -1.444 1.00 0.00 C ATOM 91 O LEU A 6 7.335 -6.250 -0.434 1.00 0.00 O ATOM 92 CB LEU A 6 6.719 -6.004 -3.759 1.00 0.00 C ATOM 93 CG LEU A 6 5.607 -7.054 -3.760 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.684 -6.872 -4.966 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.189 -8.468 -3.691 1.00 0.00 C ATOM 0 H LEU A 6 7.220 -3.579 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 6 5.825 -5.136 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.572 -5.347 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.672 -6.512 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 6 5.000 -6.912 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.902 -7.631 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.230 -5.882 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.262 -6.973 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.378 -9.196 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.832 -8.639 -4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.772 -8.577 -2.777 1.00 0.00 H new ATOM 107 N VAL A 7 9.063 -5.546 -1.713 1.00 0.00 N ATOM 108 CA VAL A 7 10.082 -6.033 -0.797 1.00 0.00 C ATOM 109 C VAL A 7 10.563 -4.878 0.082 1.00 0.00 C ATOM 110 O VAL A 7 11.231 -3.963 -0.398 1.00 0.00 O ATOM 111 CB VAL A 7 11.214 -6.699 -1.581 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.770 -7.907 -0.823 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.750 -7.098 -2.984 1.00 0.00 C ATOM 0 H VAL A 7 9.424 -5.090 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 7 9.670 -6.796 -0.136 1.00 0.00 H new ATOM 0 HB VAL A 7 12.019 -5.972 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.573 -8.362 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.158 -7.583 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.975 -8.637 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.574 -7.569 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.919 -7.799 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.426 -6.210 -3.526 1.00 0.00 H new ATOM 123 N PRO A 8 10.206 -4.957 1.356 1.00 0.00 N ATOM 124 CA PRO A 8 10.605 -3.898 2.338 1.00 0.00 C ATOM 125 C PRO A 8 12.121 -3.598 2.597 1.00 0.00 C ATOM 126 O PRO A 8 12.466 -2.914 3.559 1.00 0.00 O ATOM 127 CB PRO A 8 9.860 -4.338 3.618 1.00 0.00 C ATOM 128 CG PRO A 8 8.771 -5.307 3.157 1.00 0.00 C ATOM 129 CD PRO A 8 9.392 -6.036 1.968 1.00 0.00 C ATOM 0 HA PRO A 8 10.339 -2.925 1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.540 -4.820 4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.427 -3.480 4.132 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.496 -6.002 3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.863 -4.777 2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.002 -6.884 2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.637 -6.420 1.282 1.00 0.00 H new ATOM 137 N ILE A 9 12.956 -4.130 1.716 1.00 0.00 N ATOM 138 CA ILE A 9 14.391 -3.933 1.833 1.00 0.00 C ATOM 139 C ILE A 9 14.812 -2.744 0.966 1.00 0.00 C ATOM 140 O ILE A 9 15.958 -2.306 1.022 1.00 0.00 O ATOM 141 CB ILE A 9 15.137 -5.228 1.503 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.232 -5.437 -0.009 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.496 -6.425 2.209 1.00 0.00 C ATOM 144 CD1 ILE A 9 14.202 -6.462 -0.487 1.00 0.00 C ATOM 0 H ILE A 9 12.666 -4.697 0.919 1.00 0.00 H new ATOM 0 HA ILE A 9 14.659 -3.689 2.861 1.00 0.00 H new ATOM 0 HB ILE A 9 16.156 -5.140 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.071 -4.489 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.235 -5.775 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 9 15.045 -7.332 1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 9 14.526 -6.270 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.460 -6.526 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.291 -6.592 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.381 -7.416 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.199 -6.110 -0.246 1.00 0.00 H new ATOM 156 N ALA A 10 13.858 -2.257 0.185 1.00 0.00 N ATOM 157 CA ALA A 10 14.115 -1.127 -0.692 1.00 0.00 C ATOM 158 C ALA A 10 12.805 -0.378 -0.948 1.00 0.00 C ATOM 159 O ALA A 10 11.768 -0.996 -1.179 1.00 0.00 O ATOM 160 CB ALA A 10 14.766 -1.621 -1.984 1.00 0.00 C ATOM 0 H ALA A 10 12.907 -2.624 0.141 1.00 0.00 H new ATOM 0 HA ALA A 10 14.809 -0.428 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.959 -0.773 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.707 -2.120 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.098 -2.323 -2.483 1.00 0.00 H new ATOM 166 N TYR A 11 12.896 0.943 -0.898 1.00 0.00 N ATOM 167 CA TYR A 11 11.732 1.782 -1.122 1.00 0.00 C ATOM 168 C TYR A 11 11.980 2.771 -2.263 1.00 0.00 C ATOM 169 O TYR A 11 13.127 3.083 -2.580 1.00 0.00 O ATOM 170 CB TYR A 11 11.519 2.563 0.177 1.00 0.00 C ATOM 171 CG TYR A 11 12.656 3.529 0.515 1.00 0.00 C ATOM 172 CD1 TYR A 11 13.811 3.055 1.107 1.00 0.00 C ATOM 173 CD2 TYR A 11 12.528 4.873 0.231 1.00 0.00 C ATOM 174 CE1 TYR A 11 14.881 3.965 1.426 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.598 5.782 0.550 1.00 0.00 C ATOM 176 CZ TYR A 11 14.722 5.283 1.132 1.00 0.00 C ATOM 177 OH TYR A 11 15.733 6.142 1.433 1.00 0.00 O ATOM 0 H TYR A 11 13.758 1.453 -0.706 1.00 0.00 H new ATOM 0 HA TYR A 11 10.868 1.175 -1.392 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.588 3.125 0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.400 1.857 0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.911 2.003 1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.625 5.243 -0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 11 15.789 3.608 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.510 6.836 0.332 1.00 0.00 H new ATOM 0 HH TYR A 11 15.481 7.051 1.166 1.00 0.00 H new ATOM 187 N LYS A 12 10.886 3.238 -2.847 1.00 0.00 N ATOM 188 CA LYS A 12 10.971 4.185 -3.946 1.00 0.00 C ATOM 189 C LYS A 12 9.934 5.290 -3.741 1.00 0.00 C ATOM 190 O LYS A 12 9.328 5.389 -2.675 1.00 0.00 O ATOM 191 CB LYS A 12 10.840 3.461 -5.288 1.00 0.00 C ATOM 192 CG LYS A 12 12.044 2.550 -5.538 1.00 0.00 C ATOM 193 CD LYS A 12 13.070 3.235 -6.444 1.00 0.00 C ATOM 194 CE LYS A 12 14.370 3.515 -5.686 1.00 0.00 C ATOM 195 NZ LYS A 12 15.530 3.443 -6.603 1.00 0.00 N ATOM 0 H LYS A 12 9.936 2.978 -2.580 1.00 0.00 H new ATOM 0 HA LYS A 12 11.950 4.664 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.924 2.871 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.758 4.191 -6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.510 2.288 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.711 1.619 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.277 2.603 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.658 4.170 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.324 4.502 -5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.491 2.792 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.404 3.635 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.582 2.493 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.420 4.150 -7.358 1.00 0.00 H new ATOM 209 N THR A 13 9.761 6.096 -4.778 1.00 0.00 N ATOM 210 CA THR A 13 8.808 7.191 -4.726 1.00 0.00 C ATOM 211 C THR A 13 7.447 6.741 -5.259 1.00 0.00 C ATOM 212 O THR A 13 7.375 5.923 -6.176 1.00 0.00 O ATOM 213 CB THR A 13 9.402 8.372 -5.496 1.00 0.00 C ATOM 214 OG1 THR A 13 10.799 8.294 -5.228 1.00 0.00 O ATOM 215 CG2 THR A 13 8.984 9.722 -4.910 1.00 0.00 C ATOM 0 H THR A 13 10.266 6.012 -5.660 1.00 0.00 H new ATOM 0 HA THR A 13 8.629 7.510 -3.699 1.00 0.00 H new ATOM 0 HB THR A 13 9.092 8.318 -6.540 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.262 9.023 -5.691 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.433 10.526 -5.493 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.898 9.812 -4.942 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.323 9.791 -3.876 1.00 0.00 H new ATOM 223 N CYS A 14 6.400 7.292 -4.662 1.00 0.00 N ATOM 224 CA CYS A 14 5.046 6.956 -5.066 1.00 0.00 C ATOM 225 C CYS A 14 4.813 7.510 -6.473 1.00 0.00 C ATOM 226 O CYS A 14 5.024 8.697 -6.720 1.00 0.00 O ATOM 227 CB CYS A 14 4.011 7.481 -4.068 1.00 0.00 C ATOM 228 SG CYS A 14 4.244 6.902 -2.347 1.00 0.00 S ATOM 0 H CYS A 14 6.463 7.969 -3.902 1.00 0.00 H new ATOM 0 HA CYS A 14 4.926 5.873 -5.078 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.038 8.571 -4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.018 7.184 -4.405 1.00 0.00 H new ATOM 233 N PRO A 15 4.380 6.625 -7.359 1.00 0.00 N ATOM 234 CA PRO A 15 4.108 7.022 -8.777 1.00 0.00 C ATOM 235 C PRO A 15 3.254 8.300 -9.086 1.00 0.00 C ATOM 236 O PRO A 15 2.644 8.876 -8.186 1.00 0.00 O ATOM 237 CB PRO A 15 3.486 5.736 -9.367 1.00 0.00 C ATOM 238 CG PRO A 15 3.055 4.891 -8.166 1.00 0.00 C ATOM 239 CD PRO A 15 4.096 5.203 -7.093 1.00 0.00 C ATOM 0 HA PRO A 15 5.040 7.365 -9.225 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.634 5.971 -10.005 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.208 5.200 -9.983 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.051 5.154 -7.834 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.042 3.829 -8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.708 5.044 -6.087 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.986 4.582 -7.193 1.00 0.00 H new ATOM 247 N GLU A 16 3.253 8.680 -10.355 1.00 0.00 N ATOM 248 CA GLU A 16 2.505 9.847 -10.787 1.00 0.00 C ATOM 249 C GLU A 16 1.008 9.637 -10.547 1.00 0.00 C ATOM 250 O GLU A 16 0.478 8.560 -10.818 1.00 0.00 O ATOM 251 CB GLU A 16 2.785 10.166 -12.257 1.00 0.00 C ATOM 252 CG GLU A 16 4.224 10.651 -12.448 1.00 0.00 C ATOM 253 CD GLU A 16 4.291 12.179 -12.446 1.00 0.00 C ATOM 254 OE1 GLU A 16 4.045 12.761 -13.525 1.00 0.00 O ATOM 255 OE2 GLU A 16 4.588 12.733 -11.364 1.00 0.00 O ATOM 0 H GLU A 16 3.759 8.199 -11.099 1.00 0.00 H new ATOM 0 HA GLU A 16 2.832 10.702 -10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.613 9.278 -12.865 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.090 10.930 -12.606 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.854 10.255 -11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.619 10.267 -13.388 1.00 0.00 H new ATOM 262 N GLY A 17 0.370 10.682 -10.043 1.00 0.00 N ATOM 263 CA GLY A 17 -1.055 10.625 -9.763 1.00 0.00 C ATOM 264 C GLY A 17 -1.317 10.079 -8.358 1.00 0.00 C ATOM 265 O GLY A 17 -2.340 10.389 -7.749 1.00 0.00 O ATOM 0 H GLY A 17 0.813 11.574 -9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.488 11.621 -9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.549 9.993 -10.501 1.00 0.00 H new ATOM 269 N LYS A 18 -0.375 9.278 -7.884 1.00 0.00 N ATOM 270 CA LYS A 18 -0.491 8.686 -6.562 1.00 0.00 C ATOM 271 C LYS A 18 0.181 9.602 -5.537 1.00 0.00 C ATOM 272 O LYS A 18 1.130 10.313 -5.864 1.00 0.00 O ATOM 273 CB LYS A 18 0.057 7.258 -6.563 1.00 0.00 C ATOM 274 CG LYS A 18 -0.206 6.571 -7.906 1.00 0.00 C ATOM 275 CD LYS A 18 -1.680 6.689 -8.302 1.00 0.00 C ATOM 276 CE LYS A 18 -1.968 5.900 -9.580 1.00 0.00 C ATOM 277 NZ LYS A 18 -2.962 6.610 -10.415 1.00 0.00 N ATOM 0 H LYS A 18 0.473 9.025 -8.392 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.539 8.599 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.128 7.276 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.408 6.686 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.419 7.021 -8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.074 5.520 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.309 6.319 -7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.937 7.738 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.045 5.759 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.341 4.908 -9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.146 6.060 -11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.847 6.722 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.592 7.547 -10.673 1.00 0.00 H new ATOM 291 N ASN A 19 -0.336 9.554 -4.319 1.00 0.00 N ATOM 292 CA ASN A 19 0.203 10.370 -3.244 1.00 0.00 C ATOM 293 C ASN A 19 0.097 9.604 -1.925 1.00 0.00 C ATOM 294 O ASN A 19 1.016 9.636 -1.108 1.00 0.00 O ATOM 295 CB ASN A 19 -0.582 11.676 -3.098 1.00 0.00 C ATOM 296 CG ASN A 19 -0.116 12.461 -1.870 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.045 12.809 -1.728 1.00 0.00 O ATOM 298 ND2 ASN A 19 -1.082 12.718 -0.994 1.00 0.00 N ATOM 0 H ASN A 19 -1.123 8.963 -4.052 1.00 0.00 H new ATOM 0 HA ASN A 19 1.242 10.598 -3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.453 12.284 -3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.646 11.457 -3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.872 13.236 -0.141 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.033 12.397 -1.175 1.00 0.00 H new ATOM 305 N LEU A 20 -1.033 8.933 -1.756 1.00 0.00 N ATOM 306 CA LEU A 20 -1.272 8.159 -0.550 1.00 0.00 C ATOM 307 C LEU A 20 -0.644 6.773 -0.705 1.00 0.00 C ATOM 308 O LEU A 20 -0.501 6.274 -1.820 1.00 0.00 O ATOM 309 CB LEU A 20 -2.766 8.125 -0.222 1.00 0.00 C ATOM 310 CG LEU A 20 -3.297 9.290 0.616 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.820 9.225 0.744 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.609 9.339 1.983 1.00 0.00 C ATOM 0 H LEU A 20 -1.794 8.909 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.792 8.632 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.322 8.094 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.980 7.196 0.307 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.057 10.219 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.171 10.064 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.271 9.274 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.105 8.290 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.004 10.176 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.797 8.408 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.535 9.468 1.846 1.00 0.00 H new ATOM 324 N CYS A 21 -0.286 6.191 0.430 1.00 0.00 N ATOM 325 CA CYS A 21 0.324 4.871 0.433 1.00 0.00 C ATOM 326 C CYS A 21 -0.724 3.859 0.900 1.00 0.00 C ATOM 327 O CYS A 21 -1.543 4.162 1.767 1.00 0.00 O ATOM 328 CB CYS A 21 1.581 4.832 1.304 1.00 0.00 C ATOM 329 SG CYS A 21 3.106 5.411 0.475 1.00 0.00 S ATOM 0 H CYS A 21 -0.406 6.608 1.353 1.00 0.00 H new ATOM 0 HA CYS A 21 0.651 4.616 -0.575 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.411 5.444 2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.737 3.809 1.647 1.00 0.00 H new ATOM 334 N TYR A 22 -0.667 2.678 0.304 1.00 0.00 N ATOM 335 CA TYR A 22 -1.601 1.619 0.646 1.00 0.00 C ATOM 336 C TYR A 22 -0.876 0.283 0.819 1.00 0.00 C ATOM 337 O TYR A 22 0.225 0.098 0.302 1.00 0.00 O ATOM 338 CB TYR A 22 -2.569 1.511 -0.534 1.00 0.00 C ATOM 339 CG TYR A 22 -1.984 0.798 -1.755 1.00 0.00 C ATOM 340 CD1 TYR A 22 -1.803 -0.569 -1.735 1.00 0.00 C ATOM 341 CD2 TYR A 22 -1.638 1.524 -2.877 1.00 0.00 C ATOM 342 CE1 TYR A 22 -1.254 -1.240 -2.884 1.00 0.00 C ATOM 343 CE2 TYR A 22 -1.087 0.853 -4.026 1.00 0.00 C ATOM 344 CZ TYR A 22 -0.922 -0.496 -3.973 1.00 0.00 C ATOM 345 OH TYR A 22 -0.403 -1.130 -5.059 1.00 0.00 O ATOM 0 H TYR A 22 0.013 2.430 -0.415 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.109 1.845 1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.464 0.979 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.882 2.513 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.073 -1.136 -0.857 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.780 2.594 -2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.109 -2.310 -2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.811 1.409 -4.910 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.214 -0.474 -5.762 1.00 0.00 H new ATOM 355 N LYS A 23 -1.523 -0.615 1.548 1.00 0.00 N ATOM 356 CA LYS A 23 -0.954 -1.929 1.796 1.00 0.00 C ATOM 357 C LYS A 23 -2.077 -2.911 2.133 1.00 0.00 C ATOM 358 O LYS A 23 -2.734 -2.777 3.165 1.00 0.00 O ATOM 359 CB LYS A 23 0.136 -1.848 2.867 1.00 0.00 C ATOM 360 CG LYS A 23 -0.311 -0.969 4.038 1.00 0.00 C ATOM 361 CD LYS A 23 0.277 -1.473 5.357 1.00 0.00 C ATOM 362 CE LYS A 23 0.929 -0.331 6.138 1.00 0.00 C ATOM 363 NZ LYS A 23 2.276 -0.726 6.608 1.00 0.00 N ATOM 0 H LYS A 23 -2.436 -0.458 1.975 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.460 -2.305 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.371 -2.849 3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.050 -1.443 2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.003 0.060 3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.399 -0.964 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.509 -1.928 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.015 -2.250 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.003 0.554 5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.305 -0.062 6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.389 -0.456 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.389 -1.756 6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.998 -0.245 6.035 1.00 0.00 H new ATOM 377 N MET A 24 -2.263 -3.876 1.245 1.00 0.00 N ATOM 378 CA MET A 24 -3.296 -4.880 1.436 1.00 0.00 C ATOM 379 C MET A 24 -2.728 -6.130 2.113 1.00 0.00 C ATOM 380 O MET A 24 -1.699 -6.655 1.690 1.00 0.00 O ATOM 381 CB MET A 24 -3.894 -5.262 0.081 1.00 0.00 C ATOM 382 CG MET A 24 -4.885 -4.198 -0.399 1.00 0.00 C ATOM 383 SD MET A 24 -4.009 -2.868 -1.204 1.00 0.00 S ATOM 384 CE MET A 24 -4.330 -1.544 -0.050 1.00 0.00 C ATOM 0 H MET A 24 -1.716 -3.984 0.391 1.00 0.00 H new ATOM 0 HA MET A 24 -4.069 -4.460 2.079 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.097 -5.379 -0.653 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.398 -6.225 0.160 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.602 -4.642 -1.089 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.454 -3.811 0.447 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.876 -0.747 -0.554 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.925 -1.922 0.781 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.385 -1.154 0.328 1.00 0.00 H new ATOM 394 N PHE A 25 -3.422 -6.568 3.153 1.00 0.00 N ATOM 395 CA PHE A 25 -2.999 -7.745 3.892 1.00 0.00 C ATOM 396 C PHE A 25 -4.035 -8.865 3.778 1.00 0.00 C ATOM 397 O PHE A 25 -5.234 -8.621 3.900 1.00 0.00 O ATOM 398 CB PHE A 25 -2.873 -7.331 5.359 1.00 0.00 C ATOM 399 CG PHE A 25 -1.738 -6.342 5.630 1.00 0.00 C ATOM 400 CD1 PHE A 25 -0.847 -6.042 4.647 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.619 -5.763 6.855 1.00 0.00 C ATOM 402 CE1 PHE A 25 0.206 -5.123 4.899 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.565 -4.845 7.108 1.00 0.00 C ATOM 404 CZ PHE A 25 0.325 -4.545 6.124 1.00 0.00 C ATOM 0 H PHE A 25 -4.274 -6.129 3.501 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.056 -8.116 3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.814 -6.886 5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.717 -8.223 5.966 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.940 -6.503 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.326 -6.001 7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.912 -4.883 4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.470 -4.386 8.081 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.127 -3.847 6.316 1.00 0.00 H new ATOM 414 N MET A 26 -3.534 -10.070 3.544 1.00 0.00 N ATOM 415 CA MET A 26 -4.400 -11.229 3.413 1.00 0.00 C ATOM 416 C MET A 26 -4.930 -11.675 4.777 1.00 0.00 C ATOM 417 O MET A 26 -4.278 -11.466 5.799 1.00 0.00 O ATOM 418 CB MET A 26 -3.624 -12.377 2.766 1.00 0.00 C ATOM 419 CG MET A 26 -3.238 -12.034 1.325 1.00 0.00 C ATOM 420 SD MET A 26 -1.991 -13.170 0.741 1.00 0.00 S ATOM 421 CE MET A 26 -2.804 -13.798 -0.719 1.00 0.00 C ATOM 0 H MET A 26 -2.539 -10.268 3.442 1.00 0.00 H new ATOM 0 HA MET A 26 -5.249 -10.955 2.787 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.726 -12.587 3.347 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.230 -13.283 2.778 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.117 -12.084 0.682 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.863 -11.012 1.274 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.068 -14.265 -1.373 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.552 -14.536 -0.430 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.289 -12.977 -1.247 1.00 0.00 H new ATOM 431 N MET A 27 -6.108 -12.282 4.750 1.00 0.00 N ATOM 432 CA MET A 27 -6.732 -12.760 5.971 1.00 0.00 C ATOM 433 C MET A 27 -5.873 -13.833 6.644 1.00 0.00 C ATOM 434 O MET A 27 -5.842 -13.931 7.869 1.00 0.00 O ATOM 435 CB MET A 27 -8.112 -13.338 5.647 1.00 0.00 C ATOM 436 CG MET A 27 -9.180 -12.243 5.651 1.00 0.00 C ATOM 437 SD MET A 27 -9.699 -11.902 7.324 1.00 0.00 S ATOM 438 CE MET A 27 -11.178 -12.898 7.399 1.00 0.00 C ATOM 0 H MET A 27 -6.646 -12.453 3.901 1.00 0.00 H new ATOM 0 HA MET A 27 -6.832 -11.920 6.658 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.087 -13.823 4.671 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.370 -14.105 6.378 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.785 -11.337 5.192 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.036 -12.556 5.053 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.335 -13.240 8.422 1.00 0.00 H new ATOM 0 HE2 MET A 27 -12.034 -12.303 7.080 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.070 -13.760 6.741 1.00 0.00 H new ATOM 448 N SER A 28 -5.197 -14.611 5.810 1.00 0.00 N ATOM 449 CA SER A 28 -4.340 -15.673 6.308 1.00 0.00 C ATOM 450 C SER A 28 -3.139 -15.075 7.042 1.00 0.00 C ATOM 451 O SER A 28 -3.235 -14.732 8.220 1.00 0.00 O ATOM 452 CB SER A 28 -3.869 -16.579 5.170 1.00 0.00 C ATOM 453 OG SER A 28 -2.801 -17.432 5.574 1.00 0.00 O ATOM 0 H SER A 28 -5.226 -14.527 4.794 1.00 0.00 H new ATOM 0 HA SER A 28 -4.918 -16.281 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.704 -17.185 4.820 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.545 -15.966 4.329 1.00 0.00 H new ATOM 0 HG SER A 28 -2.530 -17.996 4.820 1.00 0.00 H new ATOM 459 N ASP A 29 -2.035 -14.968 6.317 1.00 0.00 N ATOM 460 CA ASP A 29 -0.816 -14.418 6.885 1.00 0.00 C ATOM 461 C ASP A 29 -0.952 -12.897 6.994 1.00 0.00 C ATOM 462 O ASP A 29 -0.445 -12.163 6.147 1.00 0.00 O ATOM 463 CB ASP A 29 0.392 -14.723 5.997 1.00 0.00 C ATOM 464 CG ASP A 29 1.736 -14.770 6.728 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.781 -14.257 7.866 1.00 0.00 O ATOM 466 OD2 ASP A 29 2.687 -15.318 6.130 1.00 0.00 O ATOM 0 H ASP A 29 -1.959 -15.253 5.341 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.665 -14.871 7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.229 -15.682 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.448 -13.968 5.213 1.00 0.00 H new ATOM 471 N LEU A 30 -1.637 -12.471 8.044 1.00 0.00 N ATOM 472 CA LEU A 30 -1.844 -11.051 8.275 1.00 0.00 C ATOM 473 C LEU A 30 -0.548 -10.428 8.799 1.00 0.00 C ATOM 474 O LEU A 30 -0.401 -9.207 8.808 1.00 0.00 O ATOM 475 CB LEU A 30 -3.048 -10.828 9.192 1.00 0.00 C ATOM 476 CG LEU A 30 -4.423 -11.081 8.568 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.453 -11.442 9.640 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.870 -9.886 7.724 1.00 0.00 C ATOM 0 H LEU A 30 -2.056 -13.083 8.744 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.085 -10.545 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.941 -11.475 10.062 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.019 -9.800 9.554 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.342 -11.937 7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.421 -11.617 9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.134 -12.345 10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.538 -10.622 10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.849 -10.092 7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.930 -8.998 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.149 -9.716 6.924 1.00 0.00 H new ATOM 490 N THR A 31 0.358 -11.297 9.224 1.00 0.00 N ATOM 491 CA THR A 31 1.636 -10.848 9.748 1.00 0.00 C ATOM 492 C THR A 31 2.645 -10.667 8.612 1.00 0.00 C ATOM 493 O THR A 31 3.799 -10.316 8.852 1.00 0.00 O ATOM 494 CB THR A 31 2.090 -11.852 10.810 1.00 0.00 C ATOM 495 OG1 THR A 31 3.390 -11.402 11.180 1.00 0.00 O ATOM 496 CG2 THR A 31 2.330 -13.248 10.231 1.00 0.00 C ATOM 0 H THR A 31 0.232 -12.309 9.216 1.00 0.00 H new ATOM 0 HA THR A 31 1.548 -9.870 10.221 1.00 0.00 H new ATOM 0 HB THR A 31 1.340 -11.910 11.599 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.674 -10.688 10.572 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.650 -13.921 11.026 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.407 -13.622 9.789 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.104 -13.196 9.465 1.00 0.00 H new ATOM 504 N ILE A 32 2.172 -10.914 7.399 1.00 0.00 N ATOM 505 CA ILE A 32 3.018 -10.782 6.226 1.00 0.00 C ATOM 506 C ILE A 32 2.172 -10.303 5.044 1.00 0.00 C ATOM 507 O ILE A 32 1.354 -11.056 4.516 1.00 0.00 O ATOM 508 CB ILE A 32 3.767 -12.089 5.956 1.00 0.00 C ATOM 509 CG1 ILE A 32 5.054 -12.162 6.781 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.035 -12.269 4.460 1.00 0.00 C ATOM 511 CD1 ILE A 32 6.033 -11.060 6.370 1.00 0.00 C ATOM 0 H ILE A 32 1.214 -11.205 7.204 1.00 0.00 H new ATOM 0 HA ILE A 32 3.788 -10.029 6.394 1.00 0.00 H new ATOM 0 HB ILE A 32 3.133 -12.918 6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.817 -12.066 7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.522 -13.137 6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.568 -13.205 4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.088 -12.292 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.640 -11.438 4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.939 -11.135 6.972 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.287 -11.174 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.571 -10.085 6.529 1.00 0.00 H new ATOM 523 N PRO A 33 2.398 -9.055 4.663 1.00 0.00 N ATOM 524 CA PRO A 33 1.645 -8.450 3.518 1.00 0.00 C ATOM 525 C PRO A 33 1.492 -9.238 2.171 1.00 0.00 C ATOM 526 O PRO A 33 2.122 -10.277 1.982 1.00 0.00 O ATOM 527 CB PRO A 33 2.360 -7.092 3.332 1.00 0.00 C ATOM 528 CG PRO A 33 2.971 -6.752 4.694 1.00 0.00 C ATOM 529 CD PRO A 33 3.369 -8.106 5.277 1.00 0.00 C ATOM 0 HA PRO A 33 0.588 -8.416 3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.130 -7.158 2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.658 -6.321 3.015 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.834 -6.094 4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.254 -6.238 5.335 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.397 -8.365 5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.299 -8.110 6.365 1.00 0.00 H new ATOM 537 N VAL A 34 0.655 -8.697 1.298 1.00 0.00 N ATOM 538 CA VAL A 34 0.415 -9.319 0.008 1.00 0.00 C ATOM 539 C VAL A 34 0.636 -8.287 -1.100 1.00 0.00 C ATOM 540 O VAL A 34 1.186 -8.609 -2.152 1.00 0.00 O ATOM 541 CB VAL A 34 -0.984 -9.939 -0.023 1.00 0.00 C ATOM 542 CG1 VAL A 34 -2.038 -8.935 0.450 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.319 -10.468 -1.419 1.00 0.00 C ATOM 0 H VAL A 34 0.135 -7.835 1.459 1.00 0.00 H new ATOM 0 HA VAL A 34 1.120 -10.133 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.992 -10.784 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.023 -9.400 0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.815 -8.627 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.028 -8.062 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.318 -10.903 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.284 -9.648 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.593 -11.230 -1.703 1.00 0.00 H new ATOM 553 N LYS A 35 0.197 -7.068 -0.826 1.00 0.00 N ATOM 554 CA LYS A 35 0.340 -5.987 -1.787 1.00 0.00 C ATOM 555 C LYS A 35 0.748 -4.709 -1.051 1.00 0.00 C ATOM 556 O LYS A 35 0.181 -4.380 -0.010 1.00 0.00 O ATOM 557 CB LYS A 35 -0.935 -5.838 -2.619 1.00 0.00 C ATOM 558 CG LYS A 35 -1.500 -7.206 -3.006 1.00 0.00 C ATOM 559 CD LYS A 35 -2.225 -7.139 -4.352 1.00 0.00 C ATOM 560 CE LYS A 35 -1.325 -7.638 -5.485 1.00 0.00 C ATOM 561 NZ LYS A 35 -2.137 -8.257 -6.556 1.00 0.00 N ATOM 0 H LYS A 35 -0.258 -6.804 0.048 1.00 0.00 H new ATOM 0 HA LYS A 35 1.133 -6.212 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.680 -5.280 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.721 -5.261 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.692 -7.935 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.189 -7.550 -2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.132 -7.742 -4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.533 -6.113 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.748 -6.808 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.610 -8.363 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.512 -8.590 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.669 -9.062 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.802 -7.554 -6.937 1.00 0.00 H new ATOM 575 N ARG A 36 1.727 -4.022 -1.622 1.00 0.00 N ATOM 576 CA ARG A 36 2.217 -2.787 -1.034 1.00 0.00 C ATOM 577 C ARG A 36 2.637 -1.807 -2.131 1.00 0.00 C ATOM 578 O ARG A 36 3.416 -2.158 -3.016 1.00 0.00 O ATOM 579 CB ARG A 36 3.408 -3.051 -0.112 1.00 0.00 C ATOM 580 CG ARG A 36 3.181 -4.307 0.732 1.00 0.00 C ATOM 581 CD ARG A 36 4.470 -4.735 1.437 1.00 0.00 C ATOM 582 NE ARG A 36 4.907 -3.678 2.378 1.00 0.00 N ATOM 583 CZ ARG A 36 4.259 -3.363 3.507 1.00 0.00 C ATOM 584 NH1 ARG A 36 3.140 -4.020 3.843 1.00 0.00 N ATOM 585 NH2 ARG A 36 4.727 -2.390 4.299 1.00 0.00 N ATOM 0 H ARG A 36 2.194 -4.298 -2.486 1.00 0.00 H new ATOM 0 HA ARG A 36 1.407 -2.355 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.314 -3.167 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.564 -2.193 0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.404 -4.116 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.824 -5.117 0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.307 -5.668 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.251 -4.924 0.701 1.00 0.00 H new ATOM 0 HE ARG A 36 5.755 -3.157 2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.782 -4.760 3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.646 -3.780 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.577 -1.888 4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.233 -2.150 5.159 1.00 0.00 H new ATOM 599 N GLY A 37 2.101 -0.598 -2.038 1.00 0.00 N ATOM 600 CA GLY A 37 2.412 0.434 -3.012 1.00 0.00 C ATOM 601 C GLY A 37 1.678 1.735 -2.683 1.00 0.00 C ATOM 602 O GLY A 37 1.025 1.839 -1.645 1.00 0.00 O ATOM 0 H GLY A 37 1.454 -0.311 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.487 0.612 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.131 0.095 -4.009 1.00 0.00 H new ATOM 606 N CYS A 38 1.809 2.696 -3.586 1.00 0.00 N ATOM 607 CA CYS A 38 1.166 3.986 -3.405 1.00 0.00 C ATOM 608 C CYS A 38 0.038 4.110 -4.432 1.00 0.00 C ATOM 609 O CYS A 38 0.067 3.456 -5.473 1.00 0.00 O ATOM 610 CB CYS A 38 2.167 5.139 -3.517 1.00 0.00 C ATOM 611 SG CYS A 38 3.730 4.889 -2.597 1.00 0.00 S ATOM 0 H CYS A 38 2.351 2.607 -4.445 1.00 0.00 H new ATOM 0 HA CYS A 38 0.750 4.048 -2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.402 5.297 -4.570 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.691 6.051 -3.157 1.00 0.00 H new ATOM 616 N ILE A 39 -0.929 4.952 -4.102 1.00 0.00 N ATOM 617 CA ILE A 39 -2.065 5.169 -4.982 1.00 0.00 C ATOM 618 C ILE A 39 -2.688 6.534 -4.678 1.00 0.00 C ATOM 619 O ILE A 39 -2.295 7.200 -3.721 1.00 0.00 O ATOM 620 CB ILE A 39 -3.053 4.006 -4.879 1.00 0.00 C ATOM 621 CG1 ILE A 39 -3.926 3.916 -6.133 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.890 4.109 -3.603 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.386 2.477 -6.378 1.00 0.00 C ATOM 0 H ILE A 39 -0.950 5.493 -3.237 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.741 5.191 -6.023 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.484 3.078 -4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.794 4.566 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.366 4.275 -6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.584 3.270 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.233 4.087 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.451 5.044 -3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.005 2.440 -7.275 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.516 1.834 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.966 2.130 -5.523 1.00 0.00 H new ATOM 635 N ASP A 40 -3.649 6.909 -5.509 1.00 0.00 N ATOM 636 CA ASP A 40 -4.330 8.181 -5.340 1.00 0.00 C ATOM 637 C ASP A 40 -5.519 7.997 -4.394 1.00 0.00 C ATOM 638 O ASP A 40 -5.728 8.804 -3.490 1.00 0.00 O ATOM 639 CB ASP A 40 -4.864 8.700 -6.676 1.00 0.00 C ATOM 640 CG ASP A 40 -5.332 10.157 -6.663 1.00 0.00 C ATOM 641 OD1 ASP A 40 -4.678 10.957 -5.960 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.334 10.438 -7.356 1.00 0.00 O ATOM 0 H ASP A 40 -3.972 6.354 -6.301 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.614 8.896 -4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.083 8.592 -7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.697 8.069 -6.987 1.00 0.00 H new ATOM 647 N VAL A 41 -6.266 6.930 -4.636 1.00 0.00 N ATOM 648 CA VAL A 41 -7.429 6.630 -3.818 1.00 0.00 C ATOM 649 C VAL A 41 -7.313 5.203 -3.280 1.00 0.00 C ATOM 650 O VAL A 41 -7.264 4.246 -4.053 1.00 0.00 O ATOM 651 CB VAL A 41 -8.710 6.865 -4.622 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.830 7.394 -3.724 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.455 7.811 -5.796 1.00 0.00 C ATOM 0 H VAL A 41 -6.089 6.263 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.475 7.299 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.031 5.906 -5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.729 7.553 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.039 6.669 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.521 8.338 -3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.381 7.961 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.098 8.770 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.703 7.378 -6.456 1.00 0.00 H new ATOM 663 N CYS A 42 -7.275 5.102 -1.959 1.00 0.00 N ATOM 664 CA CYS A 42 -7.167 3.808 -1.309 1.00 0.00 C ATOM 665 C CYS A 42 -8.431 3.006 -1.623 1.00 0.00 C ATOM 666 O CYS A 42 -9.533 3.553 -1.624 1.00 0.00 O ATOM 667 CB CYS A 42 -6.939 3.948 0.197 1.00 0.00 C ATOM 668 SG CYS A 42 -5.846 2.677 0.930 1.00 0.00 S ATOM 0 H CYS A 42 -7.317 5.897 -1.321 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.296 3.277 -1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.513 4.931 0.396 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.905 3.911 0.701 1.00 0.00 H new ATOM 673 N PRO A 43 -8.230 1.722 -1.880 1.00 0.00 N ATOM 674 CA PRO A 43 -9.375 0.812 -2.204 1.00 0.00 C ATOM 675 C PRO A 43 -10.328 0.309 -1.064 1.00 0.00 C ATOM 676 O PRO A 43 -10.049 0.510 0.117 1.00 0.00 O ATOM 677 CB PRO A 43 -8.674 -0.350 -2.945 1.00 0.00 C ATOM 678 CG PRO A 43 -7.207 0.066 -3.082 1.00 0.00 C ATOM 679 CD PRO A 43 -6.966 0.995 -1.893 1.00 0.00 C ATOM 0 HA PRO A 43 -10.117 1.377 -2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.766 -1.282 -2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.125 -0.519 -3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.544 -0.799 -3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.025 0.575 -4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.790 0.449 -0.966 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.109 1.652 -2.044 1.00 0.00 H new ATOM 687 N LYS A 44 -11.413 -0.325 -1.481 1.00 0.00 N ATOM 688 CA LYS A 44 -12.386 -0.845 -0.535 1.00 0.00 C ATOM 689 C LYS A 44 -11.835 -2.119 0.108 1.00 0.00 C ATOM 690 O LYS A 44 -11.160 -2.909 -0.551 1.00 0.00 O ATOM 691 CB LYS A 44 -13.744 -1.037 -1.214 1.00 0.00 C ATOM 692 CG LYS A 44 -14.205 0.255 -1.893 1.00 0.00 C ATOM 693 CD LYS A 44 -15.621 0.105 -2.452 1.00 0.00 C ATOM 694 CE LYS A 44 -15.590 -0.214 -3.947 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.778 1.018 -4.744 1.00 0.00 N ATOM 0 H LYS A 44 -11.640 -0.491 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.556 -0.129 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.676 -1.836 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.483 -1.348 -0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.178 1.076 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.517 0.512 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.144 -0.688 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.181 1.025 -2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.639 -0.680 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.373 -0.933 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.754 0.783 -5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.696 1.447 -4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.016 1.692 -4.527 1.00 0.00 H new ATOM 709 N ASN A 45 -12.141 -2.279 1.386 1.00 0.00 N ATOM 710 CA ASN A 45 -11.684 -3.443 2.126 1.00 0.00 C ATOM 711 C ASN A 45 -12.669 -4.595 1.914 1.00 0.00 C ATOM 712 O ASN A 45 -13.857 -4.367 1.692 1.00 0.00 O ATOM 713 CB ASN A 45 -11.614 -3.150 3.626 1.00 0.00 C ATOM 714 CG ASN A 45 -10.962 -1.792 3.890 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.758 -1.673 4.053 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.820 -0.778 3.923 1.00 0.00 N ATOM 0 H ASN A 45 -12.701 -1.621 1.929 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.690 -3.704 1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.618 -3.164 4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.046 -3.934 4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.483 0.170 4.093 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.815 -0.947 3.779 1.00 0.00 H new ATOM 723 N SER A 46 -12.139 -5.807 1.992 1.00 0.00 N ATOM 724 CA SER A 46 -12.957 -6.994 1.812 1.00 0.00 C ATOM 725 C SER A 46 -12.805 -7.922 3.019 1.00 0.00 C ATOM 726 O SER A 46 -11.959 -7.690 3.882 1.00 0.00 O ATOM 727 CB SER A 46 -12.581 -7.731 0.525 1.00 0.00 C ATOM 728 OG SER A 46 -11.205 -8.099 0.502 1.00 0.00 O ATOM 0 H SER A 46 -11.153 -5.992 2.177 1.00 0.00 H new ATOM 0 HA SER A 46 -13.998 -6.683 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.197 -8.625 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.801 -7.096 -0.333 1.00 0.00 H new ATOM 0 HG SER A 46 -10.703 -7.529 1.121 1.00 0.00 H new ATOM 734 N LEU A 47 -13.637 -8.953 3.040 1.00 0.00 N ATOM 735 CA LEU A 47 -13.606 -9.917 4.127 1.00 0.00 C ATOM 736 C LEU A 47 -12.530 -10.967 3.842 1.00 0.00 C ATOM 737 O LEU A 47 -12.406 -11.949 4.571 1.00 0.00 O ATOM 738 CB LEU A 47 -14.997 -10.509 4.358 1.00 0.00 C ATOM 739 CG LEU A 47 -16.055 -9.546 4.899 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.461 -10.127 4.736 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.757 -9.165 6.351 1.00 0.00 C ATOM 0 H LEU A 47 -14.336 -9.142 2.322 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.334 -9.428 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.357 -10.919 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.904 -11.343 5.054 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.016 -8.630 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.194 -9.422 5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.660 -10.307 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.532 -11.067 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.524 -8.480 6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.753 -10.063 6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.782 -8.681 6.407 1.00 0.00 H new ATOM 753 N LEU A 48 -11.779 -10.723 2.778 1.00 0.00 N ATOM 754 CA LEU A 48 -10.717 -11.636 2.386 1.00 0.00 C ATOM 755 C LEU A 48 -9.369 -10.923 2.506 1.00 0.00 C ATOM 756 O LEU A 48 -8.412 -11.483 3.038 1.00 0.00 O ATOM 757 CB LEU A 48 -10.990 -12.208 0.994 1.00 0.00 C ATOM 758 CG LEU A 48 -12.344 -12.892 0.802 1.00 0.00 C ATOM 759 CD1 LEU A 48 -13.009 -12.437 -0.498 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.205 -14.414 0.873 1.00 0.00 C ATOM 0 H LEU A 48 -11.884 -9.907 2.175 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.684 -12.495 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.908 -11.399 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.206 -12.927 0.759 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.998 -12.590 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.970 -12.939 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.164 -11.358 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.368 -12.689 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.183 -14.876 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.528 -14.754 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.806 -14.698 1.847 1.00 0.00 H new ATOM 772 N VAL A 49 -9.336 -9.698 2.003 1.00 0.00 N ATOM 773 CA VAL A 49 -8.121 -8.903 2.046 1.00 0.00 C ATOM 774 C VAL A 49 -8.446 -7.510 2.588 1.00 0.00 C ATOM 775 O VAL A 49 -9.384 -6.862 2.124 1.00 0.00 O ATOM 776 CB VAL A 49 -7.468 -8.868 0.663 1.00 0.00 C ATOM 777 CG1 VAL A 49 -7.004 -7.453 0.311 1.00 0.00 C ATOM 778 CG2 VAL A 49 -6.308 -9.862 0.579 1.00 0.00 C ATOM 0 H VAL A 49 -10.132 -9.236 1.563 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.395 -9.354 2.722 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.218 -9.166 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.543 -7.456 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.861 -6.779 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.277 -7.114 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.861 -9.817 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.556 -9.608 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.679 -10.870 0.765 1.00 0.00 H new ATOM 788 N LYS A 50 -7.654 -7.089 3.564 1.00 0.00 N ATOM 789 CA LYS A 50 -7.847 -5.785 4.174 1.00 0.00 C ATOM 790 C LYS A 50 -6.847 -4.794 3.577 1.00 0.00 C ATOM 791 O LYS A 50 -5.680 -5.130 3.374 1.00 0.00 O ATOM 792 CB LYS A 50 -7.772 -5.890 5.699 1.00 0.00 C ATOM 793 CG LYS A 50 -8.240 -4.593 6.362 1.00 0.00 C ATOM 794 CD LYS A 50 -9.433 -4.848 7.284 1.00 0.00 C ATOM 795 CE LYS A 50 -9.319 -4.027 8.569 1.00 0.00 C ATOM 796 NZ LYS A 50 -9.608 -4.870 9.751 1.00 0.00 N ATOM 0 H LYS A 50 -6.878 -7.628 3.947 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.844 -5.405 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.390 -6.721 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.748 -6.109 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.421 -4.157 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.516 -3.868 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.358 -4.593 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.487 -5.909 7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.317 -3.607 8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.014 -3.188 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.526 -4.297 10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.573 -5.251 9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.928 -5.656 9.791 1.00 0.00 H new ATOM 810 N TYR A 51 -7.338 -3.593 3.310 1.00 0.00 N ATOM 811 CA TYR A 51 -6.501 -2.550 2.740 1.00 0.00 C ATOM 812 C TYR A 51 -6.125 -1.510 3.796 1.00 0.00 C ATOM 813 O TYR A 51 -6.999 -0.897 4.408 1.00 0.00 O ATOM 814 CB TYR A 51 -7.346 -1.878 1.657 1.00 0.00 C ATOM 815 CG TYR A 51 -7.650 -2.777 0.457 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.405 -3.920 0.623 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.168 -2.445 -0.795 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.691 -4.766 -0.506 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.454 -3.291 -1.923 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.200 -4.410 -1.724 1.00 0.00 C ATOM 821 OH TYR A 51 -8.471 -5.209 -2.791 1.00 0.00 O ATOM 0 H TYR A 51 -8.306 -3.318 3.478 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.576 -2.972 2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.287 -1.547 2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.827 -0.986 1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.782 -4.180 1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.577 -1.551 -0.927 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.282 -5.663 -0.389 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.084 -3.042 -2.907 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.058 -4.831 -3.596 1.00 0.00 H new ATOM 831 N VAL A 52 -4.823 -1.342 3.978 1.00 0.00 N ATOM 832 CA VAL A 52 -4.320 -0.386 4.950 1.00 0.00 C ATOM 833 C VAL A 52 -3.724 0.816 4.215 1.00 0.00 C ATOM 834 O VAL A 52 -2.800 0.664 3.417 1.00 0.00 O ATOM 835 CB VAL A 52 -3.323 -1.069 5.888 1.00 0.00 C ATOM 836 CG1 VAL A 52 -2.346 -0.052 6.483 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.049 -1.842 6.990 1.00 0.00 C ATOM 0 H VAL A 52 -4.101 -1.852 3.469 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.131 -0.014 5.576 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.746 -1.784 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.648 -0.563 7.146 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.793 0.435 5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.900 0.698 7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.317 -2.318 7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.663 -1.155 7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.685 -2.605 6.541 1.00 0.00 H new ATOM 847 N CYS A 53 -4.276 1.983 4.510 1.00 0.00 N ATOM 848 CA CYS A 53 -3.810 3.210 3.887 1.00 0.00 C ATOM 849 C CYS A 53 -2.816 3.884 4.836 1.00 0.00 C ATOM 850 O CYS A 53 -2.798 3.591 6.031 1.00 0.00 O ATOM 851 CB CYS A 53 -4.971 4.138 3.524 1.00 0.00 C ATOM 852 SG CYS A 53 -6.401 3.307 2.740 1.00 0.00 S ATOM 0 H CYS A 53 -5.042 2.105 5.172 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.311 2.976 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.312 4.641 4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.603 4.911 2.849 1.00 0.00 H new ATOM 857 N CYS A 54 -2.014 4.773 4.269 1.00 0.00 N ATOM 858 CA CYS A 54 -1.021 5.491 5.051 1.00 0.00 C ATOM 859 C CYS A 54 -0.525 6.678 4.223 1.00 0.00 C ATOM 860 O CYS A 54 -0.292 6.548 3.022 1.00 0.00 O ATOM 861 CB CYS A 54 0.127 4.576 5.482 1.00 0.00 C ATOM 862 SG CYS A 54 0.878 3.596 4.131 1.00 0.00 S ATOM 0 H CYS A 54 -2.031 5.013 3.278 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.473 5.856 5.973 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.904 5.185 5.945 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.240 3.892 6.247 1.00 0.00 H new ATOM 867 N ASN A 55 -0.379 7.809 4.897 1.00 0.00 N ATOM 868 CA ASN A 55 0.086 9.018 4.239 1.00 0.00 C ATOM 869 C ASN A 55 1.524 9.309 4.670 1.00 0.00 C ATOM 870 O ASN A 55 2.085 10.345 4.317 1.00 0.00 O ATOM 871 CB ASN A 55 -0.776 10.222 4.627 1.00 0.00 C ATOM 872 CG ASN A 55 -1.252 10.111 6.076 1.00 0.00 C ATOM 873 OD1 ASN A 55 -2.434 10.028 6.365 1.00 0.00 O ATOM 874 ND2 ASN A 55 -0.267 10.117 6.971 1.00 0.00 N ATOM 0 H ASN A 55 -0.575 7.914 5.893 1.00 0.00 H new ATOM 0 HA ASN A 55 0.024 8.860 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.203 11.140 4.498 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.637 10.287 3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.482 10.050 7.966 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.702 10.189 6.662 1.00 0.00 H new ATOM 881 N THR A 56 2.081 8.375 5.428 1.00 0.00 N ATOM 882 CA THR A 56 3.444 8.517 5.911 1.00 0.00 C ATOM 883 C THR A 56 4.421 7.811 4.969 1.00 0.00 C ATOM 884 O THR A 56 4.019 6.956 4.180 1.00 0.00 O ATOM 885 CB THR A 56 3.494 7.988 7.347 1.00 0.00 C ATOM 886 OG1 THR A 56 2.987 6.660 7.245 1.00 0.00 O ATOM 887 CG2 THR A 56 2.499 8.698 8.267 1.00 0.00 C ATOM 0 H THR A 56 1.613 7.517 5.719 1.00 0.00 H new ATOM 0 HA THR A 56 3.752 9.562 5.923 1.00 0.00 H new ATOM 0 HB THR A 56 4.502 8.107 7.743 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.986 6.241 8.131 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.575 8.285 9.273 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.725 9.764 8.294 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.487 8.551 7.890 1.00 0.00 H new ATOM 895 N ASP A 57 5.684 8.193 5.083 1.00 0.00 N ATOM 896 CA ASP A 57 6.721 7.608 4.251 1.00 0.00 C ATOM 897 C ASP A 57 7.116 6.243 4.820 1.00 0.00 C ATOM 898 O ASP A 57 6.838 5.948 5.981 1.00 0.00 O ATOM 899 CB ASP A 57 7.971 8.489 4.226 1.00 0.00 C ATOM 900 CG ASP A 57 7.704 9.992 4.329 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.325 10.426 5.439 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.885 10.674 3.297 1.00 0.00 O ATOM 0 H ASP A 57 6.013 8.901 5.739 1.00 0.00 H new ATOM 0 HA ASP A 57 6.327 7.513 3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.622 8.194 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.516 8.294 3.302 1.00 0.00 H new ATOM 907 N ARG A 58 7.758 5.449 3.976 1.00 0.00 N ATOM 908 CA ARG A 58 8.194 4.123 4.381 1.00 0.00 C ATOM 909 C ARG A 58 7.144 3.472 5.284 1.00 0.00 C ATOM 910 O ARG A 58 7.487 2.781 6.242 1.00 0.00 O ATOM 911 CB ARG A 58 9.529 4.186 5.127 1.00 0.00 C ATOM 912 CG ARG A 58 10.657 4.626 4.192 1.00 0.00 C ATOM 913 CD ARG A 58 10.823 6.147 4.211 1.00 0.00 C ATOM 914 NE ARG A 58 12.215 6.509 3.861 1.00 0.00 N ATOM 915 CZ ARG A 58 12.693 7.761 3.879 1.00 0.00 C ATOM 916 NH1 ARG A 58 11.894 8.778 4.230 1.00 0.00 N ATOM 917 NH2 ARG A 58 13.969 7.995 3.545 1.00 0.00 N ATOM 0 H ARG A 58 7.987 5.698 3.014 1.00 0.00 H new ATOM 0 HA ARG A 58 8.323 3.526 3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.451 4.882 5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.761 3.208 5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.590 4.151 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.443 4.293 3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.131 6.605 3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.575 6.536 5.199 1.00 0.00 H new ATOM 0 HE ARG A 58 12.850 5.759 3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.922 8.599 4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.258 9.731 4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.576 7.221 3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.333 8.948 3.559 1.00 0.00 H new ATOM 931 N CYS A 59 5.886 3.716 4.947 1.00 0.00 N ATOM 932 CA CYS A 59 4.785 3.162 5.715 1.00 0.00 C ATOM 933 C CYS A 59 4.500 1.751 5.198 1.00 0.00 C ATOM 934 O CYS A 59 4.381 0.810 5.982 1.00 0.00 O ATOM 935 CB CYS A 59 3.543 4.054 5.649 1.00 0.00 C ATOM 936 SG CYS A 59 2.782 4.188 3.990 1.00 0.00 S ATOM 0 H CYS A 59 5.605 4.290 4.152 1.00 0.00 H new ATOM 0 HA CYS A 59 5.062 3.114 6.768 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.798 3.668 6.345 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.812 5.053 5.992 1.00 0.00 H new ATOM 941 N ASN A 60 4.400 1.646 3.881 1.00 0.00 N ATOM 942 CA ASN A 60 4.132 0.365 3.250 1.00 0.00 C ATOM 943 C ASN A 60 5.397 -0.125 2.542 1.00 0.00 C ATOM 944 O ASN A 60 6.000 0.611 1.762 1.00 0.00 O ATOM 945 CB ASN A 60 3.022 0.487 2.205 1.00 0.00 C ATOM 946 CG ASN A 60 3.498 1.288 0.990 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.291 2.485 0.883 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.147 0.561 0.084 1.00 0.00 N ATOM 0 H ASN A 60 4.500 2.428 3.233 1.00 0.00 H new ATOM 0 HA ASN A 60 3.821 -0.334 4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.705 -0.507 1.888 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.153 0.973 2.648 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.506 1.003 -0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.286 -0.438 0.236 1.00 0.00 H new TER 955 ASN A 60 HETATM 956 O HOH A 61 -0.892 -11.438 3.173 1.00 0.00 O