USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 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 10 THR OG1 : rot 65:sc= 0.386 USER MOD Set 1.2: A 79 SER OG : rot 120:sc= -0.0425 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 177:sc= 0.772 (180deg=0.766) USER MOD Set 2.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 1 GLY N :NH3+ -143:sc= 0.626 (180deg=0) USER MOD Set 3.2: A 3 THR OG1 : rot 180:sc= 0.693 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= 1.14 K(o=1.1,f=-7.8!) USER MOD Single : A 20 SER OG : rot -66:sc= 1.17 USER MOD Single : A 27 GLN : amide:sc= 0.993 K(o=0.99,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.0707 X(o=0.071,f=-0.0028) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 33 THR OG1 : rot 95:sc= 0.635 USER MOD Single : A 35 HIS : no HE2:sc= 1.95 K(o=2,f=-10!) USER MOD Single : A 37 SER OG : rot 61:sc= 0.289 USER MOD Single : A 39 GLN : amide:sc= 1.11 K(o=1.1,f=-0.88) USER MOD Single : A 41 GLN : amide:sc= 2.18 K(o=2.2,f=-7.5!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 1.14 K(o=1.1,f=-0.62) USER MOD Single : A 50 GLN : amide:sc=-0.00821 X(o=-0.0082,f=-0.0082) USER MOD Single : A 51 GLN : amide:sc= -0.742 X(o=-0.74,f=-0.72) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00797 USER MOD Single : A 55 HIS : no HE2:sc= 0.478 K(o=0.48,f=-3!) USER MOD Single : A 57 GLN : amide:sc= 1.15 K(o=1.2,f=-0.021) USER MOD Single : A 61 THR OG1 : rot -65:sc= 0.721 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0286 K(o=-0.029,f=-4.7!) USER MOD Single : A 69 LYS NZ :NH3+ -140:sc= 0.00259 (180deg=-0.33) USER MOD Single : A 71 HIS : no HE2:sc= 0.934 K(o=0.93,f=-3.5!) USER MOD Single : A 73 HIS : no HE2:sc= 0.373 K(o=0.37,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.165 -18.174 -26.072 1.00 10.00 N ATOM 2 CA GLY A 1 5.504 -17.238 -25.176 1.00 10.00 C ATOM 3 C GLY A 1 5.694 -17.712 -23.742 1.00 10.00 C ATOM 4 O GLY A 1 6.609 -17.262 -23.057 1.00 10.00 O ATOM 0 H1 GLY A 1 6.596 -17.653 -26.862 1.00 10.00 H new ATOM 0 H2 GLY A 1 6.905 -18.688 -25.553 1.00 10.00 H new ATOM 0 H3 GLY A 1 5.468 -18.851 -26.443 1.00 10.00 H new ATOM 0 HA2 GLY A 1 5.920 -16.238 -25.301 1.00 10.00 H new ATOM 0 HA3 GLY A 1 4.442 -17.173 -25.414 1.00 10.00 H new ATOM 8 N VAL A 2 4.874 -18.678 -23.314 1.00 10.00 N ATOM 9 CA VAL A 2 4.971 -19.291 -21.989 1.00 10.00 C ATOM 10 C VAL A 2 6.386 -19.825 -21.725 1.00 10.00 C ATOM 11 O VAL A 2 6.823 -19.902 -20.580 1.00 10.00 O ATOM 12 CB VAL A 2 3.903 -20.387 -21.823 1.00 10.00 C ATOM 13 CG1 VAL A 2 2.494 -19.783 -21.871 1.00 10.00 C ATOM 14 CG2 VAL A 2 4.023 -21.510 -22.863 1.00 10.00 C ATOM 0 H VAL A 2 4.118 -19.058 -23.884 1.00 10.00 H new ATOM 0 HA VAL A 2 4.778 -18.524 -21.240 1.00 10.00 H new ATOM 0 HB VAL A 2 4.079 -20.835 -20.845 1.00 10.00 H new ATOM 0 HG11 VAL A 2 1.754 -20.575 -21.752 1.00 10.00 H new ATOM 0 HG12 VAL A 2 2.382 -19.057 -21.066 1.00 10.00 H new ATOM 0 HG13 VAL A 2 2.343 -19.287 -22.830 1.00 10.00 H new ATOM 0 HG21 VAL A 2 3.242 -22.250 -22.691 1.00 10.00 H new ATOM 0 HG22 VAL A 2 3.913 -21.092 -23.864 1.00 10.00 H new ATOM 0 HG23 VAL A 2 5.000 -21.986 -22.774 1.00 10.00 H new ATOM 24 N THR A 3 7.099 -20.171 -22.797 1.00 10.00 N ATOM 25 CA THR A 3 8.472 -20.632 -22.811 1.00 10.00 C ATOM 26 C THR A 3 9.431 -19.506 -22.408 1.00 10.00 C ATOM 27 O THR A 3 10.377 -19.727 -21.658 1.00 10.00 O ATOM 28 CB THR A 3 8.747 -21.079 -24.254 1.00 10.00 C ATOM 29 OG1 THR A 3 8.110 -20.175 -25.153 1.00 10.00 O ATOM 30 CG2 THR A 3 8.174 -22.477 -24.500 1.00 10.00 C ATOM 0 H THR A 3 6.700 -20.131 -23.735 1.00 10.00 H new ATOM 0 HA THR A 3 8.625 -21.444 -22.100 1.00 10.00 H new ATOM 0 HB THR A 3 9.825 -21.092 -24.414 1.00 10.00 H new ATOM 0 HG1 THR A 3 8.284 -20.455 -26.076 1.00 10.00 H new ATOM 0 HG21 THR A 3 8.378 -22.778 -25.528 1.00 10.00 H new ATOM 0 HG22 THR A 3 8.639 -23.186 -23.815 1.00 10.00 H new ATOM 0 HG23 THR A 3 7.097 -22.463 -24.333 1.00 10.00 H new ATOM 38 N LYS A 4 9.188 -18.299 -22.925 1.00 10.00 N ATOM 39 CA LYS A 4 10.003 -17.117 -22.681 1.00 10.00 C ATOM 40 C LYS A 4 9.660 -16.502 -21.325 1.00 10.00 C ATOM 41 O LYS A 4 10.539 -16.018 -20.615 1.00 10.00 O ATOM 42 CB LYS A 4 9.783 -16.106 -23.814 1.00 10.00 C ATOM 43 CG LYS A 4 10.171 -16.701 -25.178 1.00 10.00 C ATOM 44 CD LYS A 4 10.088 -15.667 -26.308 1.00 10.00 C ATOM 45 CE LYS A 4 8.644 -15.247 -26.604 1.00 10.00 C ATOM 46 NZ LYS A 4 8.575 -14.340 -27.763 1.00 10.00 N ATOM 0 H LYS A 4 8.396 -18.117 -23.541 1.00 10.00 H new ATOM 0 HA LYS A 4 11.055 -17.400 -22.660 1.00 10.00 H new ATOM 0 HB2 LYS A 4 8.737 -15.800 -23.833 1.00 10.00 H new ATOM 0 HB3 LYS A 4 10.374 -15.210 -23.624 1.00 10.00 H new ATOM 0 HG2 LYS A 4 11.185 -17.097 -25.124 1.00 10.00 H new ATOM 0 HG3 LYS A 4 9.513 -17.540 -25.407 1.00 10.00 H new ATOM 0 HD2 LYS A 4 10.672 -14.787 -26.037 1.00 10.00 H new ATOM 0 HD3 LYS A 4 10.536 -16.081 -27.211 1.00 10.00 H new ATOM 0 HE2 LYS A 4 8.038 -16.132 -26.796 1.00 10.00 H new ATOM 0 HE3 LYS A 4 8.220 -14.755 -25.729 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 7.585 -14.074 -27.937 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 9.134 -13.485 -27.568 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 8.958 -14.820 -28.603 1.00 10.00 H new ATOM 60 N GLU A 5 8.374 -16.512 -20.968 1.00 10.00 N ATOM 61 CA GLU A 5 7.869 -15.977 -19.713 1.00 10.00 C ATOM 62 C GLU A 5 8.271 -16.898 -18.556 1.00 10.00 C ATOM 63 O GLU A 5 7.415 -17.559 -17.969 1.00 10.00 O ATOM 64 CB GLU A 5 6.343 -15.836 -19.811 1.00 10.00 C ATOM 65 CG GLU A 5 5.919 -14.820 -20.881 1.00 10.00 C ATOM 66 CD GLU A 5 4.415 -14.883 -21.124 1.00 10.00 C ATOM 67 OE1 GLU A 5 3.689 -14.187 -20.382 1.00 10.00 O ATOM 68 OE2 GLU A 5 4.017 -15.638 -22.039 1.00 10.00 O ATOM 0 H GLU A 5 7.642 -16.903 -21.561 1.00 10.00 H new ATOM 0 HA GLU A 5 8.300 -14.994 -19.521 1.00 10.00 H new ATOM 0 HB2 GLU A 5 5.905 -16.807 -20.041 1.00 10.00 H new ATOM 0 HB3 GLU A 5 5.946 -15.528 -18.844 1.00 10.00 H new ATOM 0 HG2 GLU A 5 6.199 -13.815 -20.565 1.00 10.00 H new ATOM 0 HG3 GLU A 5 6.451 -15.022 -21.811 1.00 10.00 H new ATOM 75 N ILE A 6 9.568 -16.952 -18.237 1.00 10.00 N ATOM 76 CA ILE A 6 10.156 -17.787 -17.193 1.00 10.00 C ATOM 77 C ILE A 6 9.728 -17.356 -15.781 1.00 10.00 C ATOM 78 O ILE A 6 10.531 -16.921 -14.957 1.00 10.00 O ATOM 79 CB ILE A 6 11.687 -17.868 -17.362 1.00 10.00 C ATOM 80 CG1 ILE A 6 12.350 -16.480 -17.464 1.00 10.00 C ATOM 81 CG2 ILE A 6 12.023 -18.720 -18.596 1.00 10.00 C ATOM 82 CD1 ILE A 6 13.856 -16.539 -17.191 1.00 10.00 C ATOM 0 H ILE A 6 10.265 -16.388 -18.723 1.00 10.00 H new ATOM 0 HA ILE A 6 9.763 -18.797 -17.312 1.00 10.00 H new ATOM 0 HB ILE A 6 12.093 -18.338 -16.466 1.00 10.00 H new ATOM 0 HG12 ILE A 6 12.178 -16.069 -18.459 1.00 10.00 H new ATOM 0 HG13 ILE A 6 11.880 -15.801 -16.753 1.00 10.00 H new ATOM 0 HG21 ILE A 6 13.105 -18.777 -18.715 1.00 10.00 H new ATOM 0 HG22 ILE A 6 11.619 -19.724 -18.466 1.00 10.00 H new ATOM 0 HG23 ILE A 6 11.584 -18.264 -19.483 1.00 10.00 H new ATOM 0 HD11 ILE A 6 14.280 -15.538 -17.274 1.00 10.00 H new ATOM 0 HD12 ILE A 6 14.029 -16.924 -16.186 1.00 10.00 H new ATOM 0 HD13 ILE A 6 14.332 -17.196 -17.918 1.00 10.00 H new ATOM 94 N ARG A 7 8.439 -17.509 -15.488 1.00 10.00 N ATOM 95 CA ARG A 7 7.803 -17.201 -14.218 1.00 10.00 C ATOM 96 C ARG A 7 8.161 -18.257 -13.165 1.00 10.00 C ATOM 97 O ARG A 7 7.287 -18.932 -12.628 1.00 10.00 O ATOM 98 CB ARG A 7 6.288 -17.065 -14.460 1.00 10.00 C ATOM 99 CG ARG A 7 5.629 -18.342 -15.019 1.00 10.00 C ATOM 100 CD ARG A 7 4.478 -18.003 -15.974 1.00 10.00 C ATOM 101 NE ARG A 7 3.909 -19.221 -16.570 1.00 10.00 N ATOM 102 CZ ARG A 7 4.422 -19.891 -17.613 1.00 10.00 C ATOM 103 NH1 ARG A 7 5.535 -19.466 -18.223 1.00 10.00 N ATOM 104 NH2 ARG A 7 3.812 -21.000 -18.043 1.00 10.00 N ATOM 0 H ARG A 7 7.776 -17.872 -16.173 1.00 10.00 H new ATOM 0 HA ARG A 7 8.167 -16.255 -13.817 1.00 10.00 H new ATOM 0 HB2 ARG A 7 5.802 -16.798 -13.521 1.00 10.00 H new ATOM 0 HB3 ARG A 7 6.113 -16.243 -15.155 1.00 10.00 H new ATOM 0 HG2 ARG A 7 6.375 -18.939 -15.543 1.00 10.00 H new ATOM 0 HG3 ARG A 7 5.254 -18.951 -14.196 1.00 10.00 H new ATOM 0 HD2 ARG A 7 3.701 -17.461 -15.434 1.00 10.00 H new ATOM 0 HD3 ARG A 7 4.838 -17.342 -16.763 1.00 10.00 H new ATOM 0 HE ARG A 7 3.052 -19.587 -16.155 1.00 10.00 H new ATOM 0 HH11 ARG A 7 6.005 -18.622 -17.896 1.00 10.00 H new ATOM 0 HH12 ARG A 7 5.913 -19.986 -19.015 1.00 10.00 H new ATOM 0 HH21 ARG A 7 2.965 -21.329 -17.579 1.00 10.00 H new ATOM 0 HH22 ARG A 7 4.193 -21.517 -18.835 1.00 10.00 H new ATOM 118 N ILE A 8 9.456 -18.409 -12.870 1.00 10.00 N ATOM 119 CA ILE A 8 9.933 -19.378 -11.890 1.00 10.00 C ATOM 120 C ILE A 8 9.232 -19.103 -10.549 1.00 10.00 C ATOM 121 O ILE A 8 9.366 -17.985 -10.039 1.00 10.00 O ATOM 122 CB ILE A 8 11.467 -19.293 -11.744 1.00 10.00 C ATOM 123 CG1 ILE A 8 12.225 -19.415 -13.081 1.00 10.00 C ATOM 124 CG2 ILE A 8 11.974 -20.353 -10.754 1.00 10.00 C ATOM 125 CD1 ILE A 8 11.836 -20.628 -13.933 1.00 10.00 C ATOM 0 H ILE A 8 10.199 -17.862 -13.306 1.00 10.00 H new ATOM 0 HA ILE A 8 9.695 -20.389 -12.221 1.00 10.00 H new ATOM 0 HB ILE A 8 11.676 -18.295 -11.359 1.00 10.00 H new ATOM 0 HG12 ILE A 8 12.053 -18.510 -13.663 1.00 10.00 H new ATOM 0 HG13 ILE A 8 13.294 -19.463 -12.873 1.00 10.00 H new ATOM 0 HG21 ILE A 8 13.058 -20.278 -10.664 1.00 10.00 H new ATOM 0 HG22 ILE A 8 11.516 -20.188 -9.779 1.00 10.00 H new ATOM 0 HG23 ILE A 8 11.708 -21.346 -11.116 1.00 10.00 H new ATOM 0 HD11 ILE A 8 12.421 -20.629 -14.853 1.00 10.00 H new ATOM 0 HD12 ILE A 8 12.035 -21.543 -13.375 1.00 10.00 H new ATOM 0 HD13 ILE A 8 10.775 -20.576 -14.178 1.00 10.00 H new ATOM 137 N PRO A 9 8.492 -20.068 -9.972 1.00 10.00 N ATOM 138 CA PRO A 9 7.760 -19.886 -8.724 1.00 10.00 C ATOM 139 C PRO A 9 8.735 -19.779 -7.550 1.00 10.00 C ATOM 140 O PRO A 9 8.901 -20.700 -6.752 1.00 10.00 O ATOM 141 CB PRO A 9 6.814 -21.088 -8.627 1.00 10.00 C ATOM 142 CG PRO A 9 7.575 -22.184 -9.368 1.00 10.00 C ATOM 143 CD PRO A 9 8.275 -21.413 -10.488 1.00 10.00 C ATOM 0 HA PRO A 9 7.184 -18.961 -8.696 1.00 10.00 H new ATOM 0 HB2 PRO A 9 6.616 -21.364 -7.591 1.00 10.00 H new ATOM 0 HB3 PRO A 9 5.850 -20.881 -9.091 1.00 10.00 H new ATOM 0 HG2 PRO A 9 8.289 -22.691 -8.718 1.00 10.00 H new ATOM 0 HG3 PRO A 9 6.904 -22.948 -9.761 1.00 10.00 H new ATOM 0 HD2 PRO A 9 9.220 -21.886 -10.756 1.00 10.00 H new ATOM 0 HD3 PRO A 9 7.662 -21.391 -11.389 1.00 10.00 H new ATOM 151 N THR A 10 9.390 -18.626 -7.450 1.00 10.00 N ATOM 152 CA THR A 10 10.385 -18.308 -6.443 1.00 10.00 C ATOM 153 C THR A 10 9.654 -17.929 -5.152 1.00 10.00 C ATOM 154 O THR A 10 9.713 -16.789 -4.691 1.00 10.00 O ATOM 155 CB THR A 10 11.282 -17.192 -7.006 1.00 10.00 C ATOM 156 OG1 THR A 10 11.654 -17.497 -8.343 1.00 10.00 O ATOM 157 CG2 THR A 10 12.566 -17.032 -6.188 1.00 10.00 C ATOM 0 H THR A 10 9.231 -17.856 -8.100 1.00 10.00 H new ATOM 0 HA THR A 10 11.033 -19.150 -6.201 1.00 10.00 H new ATOM 0 HB THR A 10 10.708 -16.266 -6.961 1.00 10.00 H new ATOM 0 HG1 THR A 10 10.856 -17.499 -8.912 1.00 10.00 H new ATOM 0 HG21 THR A 10 13.173 -16.235 -6.616 1.00 10.00 H new ATOM 0 HG22 THR A 10 12.312 -16.781 -5.158 1.00 10.00 H new ATOM 0 HG23 THR A 10 13.128 -17.966 -6.206 1.00 10.00 H new ATOM 165 N LEU A 11 8.908 -18.889 -4.601 1.00 10.00 N ATOM 166 CA LEU A 11 8.078 -18.684 -3.426 1.00 10.00 C ATOM 167 C LEU A 11 8.904 -18.710 -2.144 1.00 10.00 C ATOM 168 O LEU A 11 9.537 -19.718 -1.835 1.00 10.00 O ATOM 169 CB LEU A 11 6.961 -19.732 -3.370 1.00 10.00 C ATOM 170 CG LEU A 11 6.118 -19.798 -4.652 1.00 10.00 C ATOM 171 CD1 LEU A 11 4.895 -20.683 -4.403 1.00 10.00 C ATOM 172 CD2 LEU A 11 5.672 -18.415 -5.141 1.00 10.00 C ATOM 0 H LEU A 11 8.867 -19.840 -4.968 1.00 10.00 H new ATOM 0 HA LEU A 11 7.627 -17.695 -3.506 1.00 10.00 H new ATOM 0 HB2 LEU A 11 7.402 -20.711 -3.184 1.00 10.00 H new ATOM 0 HB3 LEU A 11 6.308 -19.510 -2.526 1.00 10.00 H new ATOM 0 HG LEU A 11 6.744 -20.222 -5.437 1.00 10.00 H new ATOM 0 HD11 LEU A 11 4.292 -20.734 -5.310 1.00 10.00 H new ATOM 0 HD12 LEU A 11 5.222 -21.686 -4.127 1.00 10.00 H new ATOM 0 HD13 LEU A 11 4.299 -20.261 -3.594 1.00 10.00 H new ATOM 0 HD21 LEU A 11 5.080 -18.524 -6.050 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.069 -17.934 -4.371 1.00 10.00 H new ATOM 0 HD23 LEU A 11 6.549 -17.803 -5.351 1.00 10.00 H new ATOM 184 N GLU A 12 8.864 -17.615 -1.383 1.00 10.00 N ATOM 185 CA GLU A 12 9.531 -17.492 -0.095 1.00 10.00 C ATOM 186 C GLU A 12 8.469 -17.560 1.002 1.00 10.00 C ATOM 187 O GLU A 12 7.460 -16.859 0.920 1.00 10.00 O ATOM 188 CB GLU A 12 10.297 -16.171 -0.012 1.00 10.00 C ATOM 189 CG GLU A 12 11.410 -16.084 -1.063 1.00 10.00 C ATOM 190 CD GLU A 12 12.272 -14.844 -0.853 1.00 10.00 C ATOM 191 OE1 GLU A 12 11.686 -13.794 -0.510 1.00 10.00 O ATOM 192 OE2 GLU A 12 13.503 -14.958 -1.041 1.00 10.00 O ATOM 0 H GLU A 12 8.355 -16.774 -1.655 1.00 10.00 H new ATOM 0 HA GLU A 12 10.250 -18.302 0.029 1.00 10.00 H new ATOM 0 HB2 GLU A 12 9.604 -15.341 -0.149 1.00 10.00 H new ATOM 0 HB3 GLU A 12 10.729 -16.065 0.983 1.00 10.00 H new ATOM 0 HG2 GLU A 12 12.034 -16.977 -1.011 1.00 10.00 H new ATOM 0 HG3 GLU A 12 10.971 -16.060 -2.060 1.00 10.00 H new ATOM 199 N GLU A 13 8.708 -18.399 2.015 1.00 10.00 N ATOM 200 CA GLU A 13 7.823 -18.597 3.155 1.00 10.00 C ATOM 201 C GLU A 13 7.576 -17.257 3.856 1.00 10.00 C ATOM 202 O GLU A 13 8.530 -16.591 4.261 1.00 10.00 O ATOM 203 CB GLU A 13 8.486 -19.592 4.123 1.00 10.00 C ATOM 204 CG GLU A 13 7.522 -20.131 5.190 1.00 10.00 C ATOM 205 CD GLU A 13 6.654 -21.255 4.631 1.00 10.00 C ATOM 206 OE1 GLU A 13 5.579 -20.934 4.082 1.00 10.00 O ATOM 207 OE2 GLU A 13 7.089 -22.420 4.748 1.00 10.00 O ATOM 0 H GLU A 13 9.549 -18.974 2.061 1.00 10.00 H new ATOM 0 HA GLU A 13 6.864 -18.994 2.823 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.891 -20.428 3.553 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.327 -19.104 4.616 1.00 10.00 H new ATOM 0 HG2 GLU A 13 8.090 -20.497 6.045 1.00 10.00 H new ATOM 0 HG3 GLU A 13 6.887 -19.323 5.552 1.00 10.00 H new ATOM 214 N CYS A 14 6.315 -16.857 4.027 1.00 10.00 N ATOM 215 CA CYS A 14 6.018 -15.606 4.701 1.00 10.00 C ATOM 216 C CYS A 14 6.136 -15.802 6.215 1.00 10.00 C ATOM 217 O CYS A 14 5.153 -16.091 6.902 1.00 10.00 O ATOM 218 CB CYS A 14 4.645 -15.082 4.292 1.00 10.00 C ATOM 219 SG CYS A 14 4.325 -13.400 4.882 1.00 10.00 S ATOM 0 H CYS A 14 5.497 -17.378 3.710 1.00 10.00 H new ATOM 0 HA CYS A 14 6.742 -14.849 4.401 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.564 -15.101 3.205 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.877 -15.750 4.681 1.00 10.00 H new ATOM 224 N ASP A 15 7.355 -15.629 6.730 1.00 10.00 N ATOM 225 CA ASP A 15 7.702 -15.732 8.146 1.00 10.00 C ATOM 226 C ASP A 15 6.731 -14.934 9.023 1.00 10.00 C ATOM 227 O ASP A 15 6.379 -15.369 10.121 1.00 10.00 O ATOM 228 CB ASP A 15 9.149 -15.269 8.371 1.00 10.00 C ATOM 229 CG ASP A 15 9.319 -13.760 8.201 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.943 -13.263 7.117 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.796 -13.127 9.168 1.00 10.00 O ATOM 0 H ASP A 15 8.160 -15.404 6.146 1.00 10.00 H new ATOM 0 HA ASP A 15 7.619 -16.779 8.439 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.466 -15.555 9.374 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.805 -15.786 7.670 1.00 10.00 H new ATOM 236 N VAL A 16 6.281 -13.782 8.517 1.00 10.00 N ATOM 237 CA VAL A 16 5.326 -12.903 9.177 1.00 10.00 C ATOM 238 C VAL A 16 4.107 -13.704 9.655 1.00 10.00 C ATOM 239 O VAL A 16 3.741 -13.619 10.824 1.00 10.00 O ATOM 240 CB VAL A 16 4.941 -11.750 8.229 1.00 10.00 C ATOM 241 CG1 VAL A 16 3.969 -10.779 8.901 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.173 -10.958 7.772 1.00 10.00 C ATOM 0 H VAL A 16 6.584 -13.430 7.609 1.00 10.00 H new ATOM 0 HA VAL A 16 5.781 -12.461 10.064 1.00 10.00 H new ATOM 0 HB VAL A 16 4.464 -12.211 7.364 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.717 -9.978 8.207 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.061 -11.311 9.185 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.435 -10.355 9.791 1.00 10.00 H new ATOM 0 HG21 VAL A 16 5.862 -10.154 7.105 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.676 -10.534 8.641 1.00 10.00 H new ATOM 0 HG23 VAL A 16 6.857 -11.622 7.244 1.00 10.00 H new ATOM 252 N CYS A 17 3.513 -14.525 8.782 1.00 10.00 N ATOM 253 CA CYS A 17 2.394 -15.398 9.145 1.00 10.00 C ATOM 254 C CYS A 17 2.874 -16.826 9.393 1.00 10.00 C ATOM 255 O CYS A 17 2.089 -17.776 9.364 1.00 10.00 O ATOM 256 CB CYS A 17 1.310 -15.364 8.077 1.00 10.00 C ATOM 257 SG CYS A 17 1.836 -15.736 6.410 1.00 10.00 S ATOM 0 H CYS A 17 3.795 -14.602 7.805 1.00 10.00 H new ATOM 0 HA CYS A 17 1.962 -15.024 10.073 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.530 -16.073 8.357 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.856 -14.373 8.080 1.00 10.00 H new ATOM 262 N HIS A 18 4.172 -16.989 9.640 1.00 10.00 N ATOM 263 CA HIS A 18 4.792 -18.250 9.981 1.00 10.00 C ATOM 264 C HIS A 18 4.498 -19.281 8.889 1.00 10.00 C ATOM 265 O HIS A 18 4.317 -20.464 9.164 1.00 10.00 O ATOM 266 CB HIS A 18 4.317 -18.658 11.387 1.00 10.00 C ATOM 267 CG HIS A 18 4.099 -17.496 12.343 1.00 10.00 C ATOM 268 ND1 HIS A 18 4.805 -16.309 12.366 1.00 10.00 N ATOM 269 CD2 HIS A 18 3.006 -17.331 13.156 1.00 10.00 C ATOM 270 CE1 HIS A 18 4.157 -15.467 13.190 1.00 10.00 C ATOM 271 NE2 HIS A 18 3.048 -16.039 13.693 1.00 10.00 N ATOM 0 H HIS A 18 4.836 -16.216 9.605 1.00 10.00 H new ATOM 0 HA HIS A 18 5.878 -18.172 10.023 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.385 -19.215 11.294 1.00 10.00 H new ATOM 0 HB3 HIS A 18 5.051 -19.336 11.822 1.00 10.00 H new ATOM 0 HD1 HIS A 18 5.662 -16.108 11.851 1.00 10.00 H new ATOM 0 HD2 HIS A 18 2.244 -18.071 13.349 1.00 10.00 H new ATOM 0 HE1 HIS A 18 4.484 -14.463 13.418 1.00 10.00 H new ATOM 279 N GLY A 19 4.428 -18.813 7.638 1.00 10.00 N ATOM 280 CA GLY A 19 4.149 -19.651 6.487 1.00 10.00 C ATOM 281 C GLY A 19 2.702 -20.136 6.373 1.00 10.00 C ATOM 282 O GLY A 19 2.382 -20.823 5.404 1.00 10.00 O ATOM 0 H GLY A 19 4.566 -17.830 7.403 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.402 -19.097 5.583 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.806 -20.520 6.522 1.00 10.00 H new ATOM 286 N SER A 20 1.815 -19.809 7.325 1.00 10.00 N ATOM 287 CA SER A 20 0.440 -20.290 7.268 1.00 10.00 C ATOM 288 C SER A 20 -0.361 -19.510 6.229 1.00 10.00 C ATOM 289 O SER A 20 -0.796 -20.058 5.219 1.00 10.00 O ATOM 290 CB SER A 20 -0.221 -20.229 8.652 1.00 10.00 C ATOM 291 OG SER A 20 -0.363 -18.901 9.134 1.00 10.00 O ATOM 0 H SER A 20 2.028 -19.221 8.131 1.00 10.00 H new ATOM 0 HA SER A 20 0.455 -21.335 6.959 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.203 -20.700 8.602 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.374 -20.806 9.360 1.00 10.00 H new ATOM 0 HG SER A 20 0.523 -18.516 9.297 1.00 10.00 H new ATOM 297 N GLY A 21 -0.576 -18.227 6.520 1.00 10.00 N ATOM 298 CA GLY A 21 -1.351 -17.311 5.706 1.00 10.00 C ATOM 299 C GLY A 21 -2.135 -16.316 6.561 1.00 10.00 C ATOM 300 O GLY A 21 -2.480 -15.244 6.073 1.00 10.00 O ATOM 0 H GLY A 21 -0.199 -17.789 7.360 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.685 -16.768 5.035 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.042 -17.876 5.080 1.00 10.00 H new ATOM 304 N ALA A 22 -2.414 -16.632 7.832 1.00 10.00 N ATOM 305 CA ALA A 22 -3.157 -15.728 8.705 1.00 10.00 C ATOM 306 C ALA A 22 -2.188 -14.793 9.438 1.00 10.00 C ATOM 307 O ALA A 22 -1.055 -15.181 9.700 1.00 10.00 O ATOM 308 CB ALA A 22 -4.024 -16.530 9.669 1.00 10.00 C ATOM 0 H ALA A 22 -2.134 -17.508 8.274 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.823 -15.105 8.108 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -4.575 -15.848 10.317 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.728 -17.141 9.103 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -3.390 -17.175 10.277 1.00 10.00 H new ATOM 314 N LYS A 23 -2.602 -13.556 9.732 1.00 10.00 N ATOM 315 CA LYS A 23 -1.740 -12.546 10.351 1.00 10.00 C ATOM 316 C LYS A 23 -0.986 -13.062 11.601 1.00 10.00 C ATOM 317 O LYS A 23 -1.456 -13.998 12.250 1.00 10.00 O ATOM 318 CB LYS A 23 -2.547 -11.248 10.556 1.00 10.00 C ATOM 319 CG LYS A 23 -3.664 -11.328 11.603 1.00 10.00 C ATOM 320 CD LYS A 23 -3.246 -11.280 13.081 1.00 10.00 C ATOM 321 CE LYS A 23 -2.410 -10.064 13.486 1.00 10.00 C ATOM 322 NZ LYS A 23 -1.998 -10.168 14.896 1.00 10.00 N ATOM 0 H LYS A 23 -3.549 -13.227 9.546 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.921 -12.309 9.672 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.858 -10.453 10.844 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.987 -10.959 9.601 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.357 -10.507 11.421 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -4.216 -12.253 11.438 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.145 -11.303 13.697 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.679 -12.182 13.311 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.529 -9.992 12.848 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.988 -9.152 13.336 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -1.390 -9.361 15.140 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.841 -10.163 15.505 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.472 -11.054 15.040 1.00 10.00 H new ATOM 336 N PRO A 24 0.183 -12.474 11.939 1.00 10.00 N ATOM 337 CA PRO A 24 1.042 -12.872 13.050 1.00 10.00 C ATOM 338 C PRO A 24 0.324 -13.395 14.296 1.00 10.00 C ATOM 339 O PRO A 24 -0.577 -12.736 14.822 1.00 10.00 O ATOM 340 CB PRO A 24 1.865 -11.629 13.383 1.00 10.00 C ATOM 341 CG PRO A 24 2.076 -10.992 12.014 1.00 10.00 C ATOM 342 CD PRO A 24 0.806 -11.356 11.239 1.00 10.00 C ATOM 0 HA PRO A 24 1.639 -13.729 12.738 1.00 10.00 H new ATOM 0 HB2 PRO A 24 1.335 -10.962 14.063 1.00 10.00 H new ATOM 0 HB3 PRO A 24 2.811 -11.885 13.861 1.00 10.00 H new ATOM 0 HG2 PRO A 24 2.201 -9.912 12.091 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.968 -11.383 11.525 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.127 -10.505 11.191 1.00 10.00 H new ATOM 0 HD3 PRO A 24 1.047 -11.630 10.212 1.00 10.00 H new ATOM 350 N GLY A 25 0.734 -14.574 14.782 1.00 10.00 N ATOM 351 CA GLY A 25 0.185 -15.193 15.981 1.00 10.00 C ATOM 352 C GLY A 25 -1.208 -15.792 15.765 1.00 10.00 C ATOM 353 O GLY A 25 -1.452 -16.947 16.126 1.00 10.00 O ATOM 0 H GLY A 25 1.468 -15.128 14.341 1.00 10.00 H new ATOM 0 HA2 GLY A 25 0.862 -15.977 16.320 1.00 10.00 H new ATOM 0 HA3 GLY A 25 0.135 -14.449 16.776 1.00 10.00 H new ATOM 357 N THR A 26 -2.122 -15.017 15.175 1.00 10.00 N ATOM 358 CA THR A 26 -3.493 -15.422 14.902 1.00 10.00 C ATOM 359 C THR A 26 -3.511 -16.377 13.709 1.00 10.00 C ATOM 360 O THR A 26 -3.993 -16.054 12.629 1.00 10.00 O ATOM 361 CB THR A 26 -4.391 -14.193 14.696 1.00 10.00 C ATOM 362 OG1 THR A 26 -4.100 -13.209 15.673 1.00 10.00 O ATOM 363 CG2 THR A 26 -5.870 -14.568 14.832 1.00 10.00 C ATOM 0 H THR A 26 -1.918 -14.066 14.868 1.00 10.00 H new ATOM 0 HA THR A 26 -3.901 -15.957 15.760 1.00 10.00 H new ATOM 0 HB THR A 26 -4.198 -13.808 13.694 1.00 10.00 H new ATOM 0 HG1 THR A 26 -4.676 -12.429 15.533 1.00 10.00 H new ATOM 0 HG21 THR A 26 -6.486 -13.681 14.682 1.00 10.00 H new ATOM 0 HG22 THR A 26 -6.126 -15.318 14.083 1.00 10.00 H new ATOM 0 HG23 THR A 26 -6.053 -14.972 15.828 1.00 10.00 H new ATOM 371 N GLN A 27 -2.973 -17.572 13.939 1.00 10.00 N ATOM 372 CA GLN A 27 -2.873 -18.662 12.987 1.00 10.00 C ATOM 373 C GLN A 27 -4.269 -19.053 12.474 1.00 10.00 C ATOM 374 O GLN A 27 -5.266 -18.780 13.146 1.00 10.00 O ATOM 375 CB GLN A 27 -2.155 -19.814 13.710 1.00 10.00 C ATOM 376 CG GLN A 27 -2.908 -20.301 14.963 1.00 10.00 C ATOM 377 CD GLN A 27 -1.944 -20.713 16.069 1.00 10.00 C ATOM 378 OE1 GLN A 27 -1.790 -21.894 16.359 1.00 10.00 O ATOM 379 NE2 GLN A 27 -1.281 -19.746 16.701 1.00 10.00 N ATOM 0 H GLN A 27 -2.575 -17.814 14.846 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.303 -18.381 12.101 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -2.032 -20.648 13.020 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -1.155 -19.488 13.997 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -3.563 -19.509 15.326 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -3.545 -21.146 14.701 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -1.428 -18.771 16.439 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -0.626 -19.980 17.447 1.00 10.00 H new ATOM 388 N PRO A 28 -4.367 -19.674 11.287 1.00 10.00 N ATOM 389 CA PRO A 28 -5.646 -20.063 10.718 1.00 10.00 C ATOM 390 C PRO A 28 -6.322 -21.138 11.565 1.00 10.00 C ATOM 391 O PRO A 28 -5.762 -21.611 12.554 1.00 10.00 O ATOM 392 CB PRO A 28 -5.326 -20.576 9.317 1.00 10.00 C ATOM 393 CG PRO A 28 -3.897 -21.091 9.451 1.00 10.00 C ATOM 394 CD PRO A 28 -3.281 -20.066 10.401 1.00 10.00 C ATOM 0 HA PRO A 28 -6.346 -19.228 10.687 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -6.012 -21.366 9.012 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -5.400 -19.784 8.572 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -3.863 -22.100 9.861 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -3.381 -21.120 8.491 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.450 -20.496 10.961 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.888 -19.208 9.855 1.00 10.00 H new ATOM 402 N GLN A 29 -7.538 -21.530 11.183 1.00 10.00 N ATOM 403 CA GLN A 29 -8.286 -22.557 11.905 1.00 10.00 C ATOM 404 C GLN A 29 -8.423 -23.795 11.020 1.00 10.00 C ATOM 405 O GLN A 29 -8.664 -23.672 9.824 1.00 10.00 O ATOM 406 CB GLN A 29 -9.637 -21.991 12.355 1.00 10.00 C ATOM 407 CG GLN A 29 -9.496 -20.721 13.213 1.00 10.00 C ATOM 408 CD GLN A 29 -8.900 -20.977 14.597 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.627 -21.003 15.584 1.00 10.00 O ATOM 410 NE2 GLN A 29 -7.586 -21.155 14.707 1.00 10.00 N ATOM 0 H GLN A 29 -8.027 -21.149 10.373 1.00 10.00 H new ATOM 0 HA GLN A 29 -7.754 -22.860 12.807 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.242 -21.765 11.477 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.173 -22.751 12.924 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -8.868 -20.004 12.684 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -10.477 -20.261 13.329 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -6.997 -21.130 13.875 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.168 -21.316 15.623 1.00 10.00 H new ATOM 419 N THR A 30 -8.230 -24.990 11.579 1.00 10.00 N ATOM 420 CA THR A 30 -8.298 -26.241 10.843 1.00 10.00 C ATOM 421 C THR A 30 -9.623 -26.368 10.091 1.00 10.00 C ATOM 422 O THR A 30 -10.679 -26.319 10.719 1.00 10.00 O ATOM 423 CB THR A 30 -8.165 -27.383 11.858 1.00 10.00 C ATOM 424 OG1 THR A 30 -7.181 -27.038 12.816 1.00 10.00 O ATOM 425 CG2 THR A 30 -7.783 -28.693 11.170 1.00 10.00 C ATOM 0 H THR A 30 -8.020 -25.112 12.570 1.00 10.00 H new ATOM 0 HA THR A 30 -7.497 -26.277 10.104 1.00 10.00 H new ATOM 0 HB THR A 30 -9.128 -27.530 12.347 1.00 10.00 H new ATOM 0 HG1 THR A 30 -7.092 -27.763 13.469 1.00 10.00 H new ATOM 0 HG21 THR A 30 -7.696 -29.484 11.915 1.00 10.00 H new ATOM 0 HG22 THR A 30 -8.552 -28.961 10.445 1.00 10.00 H new ATOM 0 HG23 THR A 30 -6.828 -28.570 10.658 1.00 10.00 H new ATOM 433 N CYS A 31 -9.595 -26.563 8.768 1.00 10.00 N ATOM 434 CA CYS A 31 -10.837 -26.761 8.035 1.00 10.00 C ATOM 435 C CYS A 31 -11.407 -28.129 8.430 1.00 10.00 C ATOM 436 O CYS A 31 -10.740 -29.139 8.203 1.00 10.00 O ATOM 437 CB CYS A 31 -10.591 -26.715 6.530 1.00 10.00 C ATOM 438 SG CYS A 31 -12.129 -26.883 5.585 1.00 10.00 S ATOM 0 H CYS A 31 -8.748 -26.587 8.201 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.541 -25.966 8.282 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -10.107 -25.773 6.270 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -9.904 -27.514 6.250 1.00 10.00 H new ATOM 443 N PRO A 32 -12.613 -28.208 9.010 1.00 10.00 N ATOM 444 CA PRO A 32 -13.166 -29.477 9.445 1.00 10.00 C ATOM 445 C PRO A 32 -13.538 -30.362 8.253 1.00 10.00 C ATOM 446 O PRO A 32 -13.346 -31.575 8.308 1.00 10.00 O ATOM 447 CB PRO A 32 -14.364 -29.112 10.322 1.00 10.00 C ATOM 448 CG PRO A 32 -14.833 -27.774 9.749 1.00 10.00 C ATOM 449 CD PRO A 32 -13.523 -27.113 9.318 1.00 10.00 C ATOM 0 HA PRO A 32 -12.447 -30.073 10.007 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -15.147 -29.868 10.267 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -14.081 -29.022 11.371 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.513 -27.910 8.908 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.361 -27.178 10.493 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.675 -26.473 8.449 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.123 -26.482 10.112 1.00 10.00 H new ATOM 457 N THR A 33 -14.055 -29.767 7.173 1.00 10.00 N ATOM 458 CA THR A 33 -14.494 -30.451 5.964 1.00 10.00 C ATOM 459 C THR A 33 -13.463 -31.469 5.454 1.00 10.00 C ATOM 460 O THR A 33 -13.808 -32.619 5.195 1.00 10.00 O ATOM 461 CB THR A 33 -14.831 -29.381 4.912 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.231 -28.186 5.562 1.00 10.00 O ATOM 463 CG2 THR A 33 -15.951 -29.838 3.976 1.00 10.00 C ATOM 0 H THR A 33 -14.182 -28.756 7.121 1.00 10.00 H new ATOM 0 HA THR A 33 -15.382 -31.043 6.183 1.00 10.00 H new ATOM 0 HB THR A 33 -13.935 -29.210 4.315 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.461 -27.586 5.647 1.00 10.00 H new ATOM 0 HG21 THR A 33 -16.159 -29.054 3.248 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.643 -30.745 3.455 1.00 10.00 H new ATOM 0 HG23 THR A 33 -16.850 -30.041 4.557 1.00 10.00 H new ATOM 471 N CYS A 34 -12.196 -31.053 5.341 1.00 10.00 N ATOM 472 CA CYS A 34 -11.093 -31.919 4.921 1.00 10.00 C ATOM 473 C CYS A 34 -10.291 -32.431 6.119 1.00 10.00 C ATOM 474 O CYS A 34 -9.205 -32.973 5.936 1.00 10.00 O ATOM 475 CB CYS A 34 -10.178 -31.212 3.911 1.00 10.00 C ATOM 476 SG CYS A 34 -9.796 -29.471 4.198 1.00 10.00 S ATOM 0 H CYS A 34 -11.907 -30.095 5.541 1.00 10.00 H new ATOM 0 HA CYS A 34 -11.535 -32.783 4.425 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -9.236 -31.760 3.871 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -10.638 -31.296 2.926 1.00 10.00 H new ATOM 481 N HIS A 35 -10.792 -32.259 7.346 1.00 10.00 N ATOM 482 CA HIS A 35 -10.110 -32.689 8.563 1.00 10.00 C ATOM 483 C HIS A 35 -8.674 -32.148 8.558 1.00 10.00 C ATOM 484 O HIS A 35 -7.712 -32.886 8.767 1.00 10.00 O ATOM 485 CB HIS A 35 -10.140 -34.225 8.682 1.00 10.00 C ATOM 486 CG HIS A 35 -11.448 -34.896 8.323 1.00 10.00 C ATOM 487 ND1 HIS A 35 -12.693 -34.311 8.242 1.00 10.00 N ATOM 488 CD2 HIS A 35 -11.576 -36.189 7.890 1.00 10.00 C ATOM 489 CE1 HIS A 35 -13.544 -35.233 7.764 1.00 10.00 C ATOM 490 NE2 HIS A 35 -12.912 -36.397 7.536 1.00 10.00 N ATOM 0 H HIS A 35 -11.692 -31.812 7.520 1.00 10.00 H new ATOM 0 HA HIS A 35 -10.626 -32.287 9.435 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -9.358 -34.634 8.042 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -9.886 -34.495 9.707 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -12.926 -33.352 8.499 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -10.783 -36.920 7.832 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -14.596 -35.062 7.587 1.00 10.00 H new ATOM 498 N GLY A 36 -8.526 -30.859 8.237 1.00 10.00 N ATOM 499 CA GLY A 36 -7.240 -30.181 8.124 1.00 10.00 C ATOM 500 C GLY A 36 -6.317 -30.735 7.031 1.00 10.00 C ATOM 501 O GLY A 36 -5.227 -30.207 6.836 1.00 10.00 O ATOM 0 H GLY A 36 -9.319 -30.247 8.045 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -7.418 -29.124 7.929 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -6.725 -30.246 9.083 1.00 10.00 H new ATOM 505 N SER A 37 -6.724 -31.791 6.321 1.00 10.00 N ATOM 506 CA SER A 37 -5.912 -32.486 5.336 1.00 10.00 C ATOM 507 C SER A 37 -6.061 -31.925 3.919 1.00 10.00 C ATOM 508 O SER A 37 -5.617 -32.559 2.966 1.00 10.00 O ATOM 509 CB SER A 37 -6.249 -33.979 5.407 1.00 10.00 C ATOM 510 OG SER A 37 -6.191 -34.430 6.753 1.00 10.00 O ATOM 0 H SER A 37 -7.656 -32.192 6.424 1.00 10.00 H new ATOM 0 HA SER A 37 -4.861 -32.330 5.578 1.00 10.00 H new ATOM 0 HB2 SER A 37 -7.244 -34.155 4.999 1.00 10.00 H new ATOM 0 HB3 SER A 37 -5.549 -34.547 4.795 1.00 10.00 H new ATOM 0 HG SER A 37 -6.850 -33.943 7.290 1.00 10.00 H new ATOM 516 N GLY A 38 -6.691 -30.758 3.749 1.00 10.00 N ATOM 517 CA GLY A 38 -6.812 -30.084 2.457 1.00 10.00 C ATOM 518 C GLY A 38 -7.762 -30.726 1.439 1.00 10.00 C ATOM 519 O GLY A 38 -8.289 -30.023 0.579 1.00 10.00 O ATOM 0 H GLY A 38 -7.135 -30.251 4.515 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.143 -29.061 2.635 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -5.820 -30.025 2.009 1.00 10.00 H new ATOM 523 N GLN A 39 -7.989 -32.037 1.515 1.00 10.00 N ATOM 524 CA GLN A 39 -8.823 -32.788 0.592 1.00 10.00 C ATOM 525 C GLN A 39 -10.062 -33.326 1.294 1.00 10.00 C ATOM 526 O GLN A 39 -9.968 -33.884 2.387 1.00 10.00 O ATOM 527 CB GLN A 39 -8.007 -33.911 -0.077 1.00 10.00 C ATOM 528 CG GLN A 39 -7.276 -34.883 0.873 1.00 10.00 C ATOM 529 CD GLN A 39 -7.930 -36.261 0.993 1.00 10.00 C ATOM 530 OE1 GLN A 39 -7.454 -37.234 0.420 1.00 10.00 O ATOM 531 NE2 GLN A 39 -9.013 -36.382 1.752 1.00 10.00 N ATOM 0 H GLN A 39 -7.582 -32.620 2.246 1.00 10.00 H new ATOM 0 HA GLN A 39 -9.167 -32.116 -0.195 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.678 -34.491 -0.710 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.267 -33.452 -0.733 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -6.251 -35.010 0.525 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -7.223 -34.432 1.864 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -9.399 -35.564 2.224 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -9.459 -37.293 1.863 1.00 10.00 H new ATOM 540 N VAL A 40 -11.211 -33.201 0.636 1.00 10.00 N ATOM 541 CA VAL A 40 -12.464 -33.800 1.060 1.00 10.00 C ATOM 542 C VAL A 40 -12.481 -35.196 0.454 1.00 10.00 C ATOM 543 O VAL A 40 -11.773 -35.435 -0.524 1.00 10.00 O ATOM 544 CB VAL A 40 -13.667 -32.995 0.547 1.00 10.00 C ATOM 545 CG1 VAL A 40 -13.900 -31.795 1.455 1.00 10.00 C ATOM 546 CG2 VAL A 40 -13.508 -32.531 -0.906 1.00 10.00 C ATOM 0 H VAL A 40 -11.294 -32.666 -0.228 1.00 10.00 H new ATOM 0 HA VAL A 40 -12.537 -33.821 2.147 1.00 10.00 H new ATOM 0 HB VAL A 40 -14.530 -33.661 0.567 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -14.754 -31.224 1.091 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.100 -32.140 2.469 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -13.013 -31.161 1.455 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -14.392 -31.968 -1.207 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -12.627 -31.895 -0.991 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -13.393 -33.399 -1.555 1.00 10.00 H new ATOM 556 N GLN A 41 -13.280 -36.105 1.017 1.00 10.00 N ATOM 557 CA GLN A 41 -13.380 -37.469 0.532 1.00 10.00 C ATOM 558 C GLN A 41 -14.845 -37.888 0.468 1.00 10.00 C ATOM 559 O GLN A 41 -15.518 -37.993 1.492 1.00 10.00 O ATOM 560 CB GLN A 41 -12.516 -38.380 1.405 1.00 10.00 C ATOM 561 CG GLN A 41 -12.196 -39.704 0.700 1.00 10.00 C ATOM 562 CD GLN A 41 -11.253 -40.572 1.531 1.00 10.00 C ATOM 563 OE1 GLN A 41 -10.968 -40.275 2.690 1.00 10.00 O ATOM 564 NE2 GLN A 41 -10.756 -41.654 0.944 1.00 10.00 N ATOM 0 H GLN A 41 -13.874 -35.908 1.823 1.00 10.00 H new ATOM 0 HA GLN A 41 -12.995 -37.551 -0.485 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -11.587 -37.868 1.657 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -13.033 -38.583 2.343 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -13.121 -40.249 0.511 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -11.743 -39.500 -0.270 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -11.011 -41.874 -0.019 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -10.119 -42.265 1.456 1.00 10.00 H new ATOM 573 N MET A 42 -15.340 -38.131 -0.746 1.00 10.00 N ATOM 574 CA MET A 42 -16.708 -38.570 -0.976 1.00 10.00 C ATOM 575 C MET A 42 -16.774 -40.062 -0.632 1.00 10.00 C ATOM 576 O MET A 42 -16.767 -40.923 -1.509 1.00 10.00 O ATOM 577 CB MET A 42 -17.130 -38.237 -2.418 1.00 10.00 C ATOM 578 CG MET A 42 -18.654 -38.099 -2.540 1.00 10.00 C ATOM 579 SD MET A 42 -19.628 -39.546 -2.061 1.00 10.00 S ATOM 580 CE MET A 42 -21.290 -38.850 -2.134 1.00 10.00 C ATOM 0 H MET A 42 -14.795 -38.026 -1.602 1.00 10.00 H new ATOM 0 HA MET A 42 -17.423 -38.048 -0.340 1.00 10.00 H new ATOM 0 HB2 MET A 42 -16.653 -37.309 -2.733 1.00 10.00 H new ATOM 0 HB3 MET A 42 -16.779 -39.020 -3.091 1.00 10.00 H new ATOM 0 HG2 MET A 42 -18.972 -37.255 -1.928 1.00 10.00 H new ATOM 0 HG3 MET A 42 -18.894 -37.852 -3.574 1.00 10.00 H new ATOM 0 HE1 MET A 42 -22.017 -39.616 -1.865 1.00 10.00 H new ATOM 0 HE2 MET A 42 -21.366 -38.016 -1.436 1.00 10.00 H new ATOM 0 HE3 MET A 42 -21.492 -38.497 -3.145 1.00 10.00 H new ATOM 590 N ARG A 43 -16.784 -40.363 0.667 1.00 10.00 N ATOM 591 CA ARG A 43 -16.761 -41.712 1.225 1.00 10.00 C ATOM 592 C ARG A 43 -18.048 -42.503 0.961 1.00 10.00 C ATOM 593 O ARG A 43 -18.724 -42.922 1.899 1.00 10.00 O ATOM 594 CB ARG A 43 -16.427 -41.634 2.724 1.00 10.00 C ATOM 595 CG ARG A 43 -14.977 -41.175 2.920 1.00 10.00 C ATOM 596 CD ARG A 43 -14.682 -40.777 4.365 1.00 10.00 C ATOM 597 NE ARG A 43 -13.298 -40.295 4.461 1.00 10.00 N ATOM 598 CZ ARG A 43 -12.861 -39.266 5.198 1.00 10.00 C ATOM 599 NH1 ARG A 43 -13.637 -38.694 6.124 1.00 10.00 N ATOM 600 NH2 ARG A 43 -11.625 -38.814 4.971 1.00 10.00 N ATOM 0 H ARG A 43 -16.809 -39.642 1.388 1.00 10.00 H new ATOM 0 HA ARG A 43 -15.981 -42.273 0.711 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -17.106 -40.940 3.220 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -16.573 -42.609 3.188 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -14.302 -41.977 2.622 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -14.775 -40.328 2.264 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -15.374 -39.999 4.689 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -14.829 -41.630 5.027 1.00 10.00 H new ATOM 0 HE ARG A 43 -12.599 -40.794 3.911 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -14.583 -39.040 6.281 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -13.283 -37.911 6.674 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -11.046 -39.251 4.254 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -11.260 -38.032 5.514 1.00 10.00 H new ATOM 614 N GLN A 44 -18.369 -42.775 -0.307 1.00 10.00 N ATOM 615 CA GLN A 44 -19.522 -43.586 -0.693 1.00 10.00 C ATOM 616 C GLN A 44 -19.219 -45.078 -0.486 1.00 10.00 C ATOM 617 O GLN A 44 -19.382 -45.885 -1.400 1.00 10.00 O ATOM 618 CB GLN A 44 -19.925 -43.278 -2.144 1.00 10.00 C ATOM 619 CG GLN A 44 -18.750 -43.401 -3.131 1.00 10.00 C ATOM 620 CD GLN A 44 -19.105 -44.232 -4.358 1.00 10.00 C ATOM 621 OE1 GLN A 44 -19.133 -43.735 -5.479 1.00 10.00 O ATOM 622 NE2 GLN A 44 -19.363 -45.517 -4.154 1.00 10.00 N ATOM 0 H GLN A 44 -17.828 -42.433 -1.102 1.00 10.00 H new ATOM 0 HA GLN A 44 -20.369 -43.334 -0.055 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -20.720 -43.959 -2.447 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -20.333 -42.268 -2.196 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -18.440 -42.405 -3.448 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -17.899 -43.854 -2.623 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -19.331 -45.900 -3.209 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -19.593 -46.122 -4.942 1.00 10.00 H new ATOM 631 N GLY A 45 -18.776 -45.452 0.716 1.00 10.00 N ATOM 632 CA GLY A 45 -18.450 -46.822 1.081 1.00 10.00 C ATOM 633 C GLY A 45 -17.215 -47.367 0.358 1.00 10.00 C ATOM 634 O GLY A 45 -16.194 -47.620 0.991 1.00 10.00 O ATOM 0 H GLY A 45 -18.632 -44.790 1.478 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -18.284 -46.874 2.157 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -19.304 -47.462 0.859 1.00 10.00 H new ATOM 638 N PHE A 46 -17.319 -47.575 -0.958 1.00 10.00 N ATOM 639 CA PHE A 46 -16.280 -48.161 -1.794 1.00 10.00 C ATOM 640 C PHE A 46 -15.431 -47.100 -2.499 1.00 10.00 C ATOM 641 O PHE A 46 -14.267 -46.923 -2.143 1.00 10.00 O ATOM 642 CB PHE A 46 -16.878 -49.207 -2.751 1.00 10.00 C ATOM 643 CG PHE A 46 -18.143 -48.820 -3.503 1.00 10.00 C ATOM 644 CD1 PHE A 46 -19.391 -48.860 -2.847 1.00 10.00 C ATOM 645 CD2 PHE A 46 -18.104 -48.627 -4.897 1.00 10.00 C ATOM 646 CE1 PHE A 46 -20.578 -48.637 -3.564 1.00 10.00 C ATOM 647 CE2 PHE A 46 -19.296 -48.455 -5.622 1.00 10.00 C ATOM 648 CZ PHE A 46 -20.533 -48.444 -4.956 1.00 10.00 C ATOM 0 H PHE A 46 -18.159 -47.330 -1.483 1.00 10.00 H new ATOM 0 HA PHE A 46 -15.582 -48.691 -1.146 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -16.116 -49.468 -3.485 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -17.089 -50.109 -2.176 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -19.434 -49.063 -1.787 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -17.155 -48.611 -5.411 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -21.525 -48.614 -3.046 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -19.261 -48.331 -6.694 1.00 10.00 H new ATOM 0 HZ PHE A 46 -21.446 -48.288 -5.511 1.00 10.00 H new ATOM 658 N PHE A 47 -15.968 -46.392 -3.499 1.00 10.00 N ATOM 659 CA PHE A 47 -15.181 -45.397 -4.229 1.00 10.00 C ATOM 660 C PHE A 47 -15.030 -44.113 -3.412 1.00 10.00 C ATOM 661 O PHE A 47 -15.579 -43.074 -3.772 1.00 10.00 O ATOM 662 CB PHE A 47 -15.775 -45.108 -5.616 1.00 10.00 C ATOM 663 CG PHE A 47 -16.005 -46.299 -6.529 1.00 10.00 C ATOM 664 CD1 PHE A 47 -15.043 -47.324 -6.638 1.00 10.00 C ATOM 665 CD2 PHE A 47 -17.123 -46.303 -7.385 1.00 10.00 C ATOM 666 CE1 PHE A 47 -15.225 -48.368 -7.561 1.00 10.00 C ATOM 667 CE2 PHE A 47 -17.286 -47.330 -8.330 1.00 10.00 C ATOM 668 CZ PHE A 47 -16.348 -48.374 -8.406 1.00 10.00 C ATOM 0 H PHE A 47 -16.932 -46.489 -3.817 1.00 10.00 H new ATOM 0 HA PHE A 47 -14.187 -45.816 -4.386 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -16.729 -44.599 -5.477 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -15.113 -44.410 -6.129 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -14.164 -47.307 -6.011 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -17.857 -45.514 -7.315 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -14.501 -49.167 -7.621 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -18.134 -47.317 -8.999 1.00 10.00 H new ATOM 0 HZ PHE A 47 -16.490 -49.179 -9.112 1.00 10.00 H new ATOM 678 N ALA A 48 -14.272 -44.180 -2.317 1.00 10.00 N ATOM 679 CA ALA A 48 -14.007 -43.053 -1.435 1.00 10.00 C ATOM 680 C ALA A 48 -13.021 -42.077 -2.087 1.00 10.00 C ATOM 681 O ALA A 48 -11.907 -41.892 -1.597 1.00 10.00 O ATOM 682 CB ALA A 48 -13.499 -43.588 -0.092 1.00 10.00 C ATOM 0 H ALA A 48 -13.817 -45.041 -2.015 1.00 10.00 H new ATOM 0 HA ALA A 48 -14.923 -42.490 -1.256 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.296 -42.753 0.579 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -14.256 -44.235 0.352 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -12.583 -44.157 -0.250 1.00 10.00 H new ATOM 688 N VAL A 49 -13.417 -41.465 -3.204 1.00 10.00 N ATOM 689 CA VAL A 49 -12.565 -40.560 -3.962 1.00 10.00 C ATOM 690 C VAL A 49 -12.419 -39.195 -3.298 1.00 10.00 C ATOM 691 O VAL A 49 -13.373 -38.631 -2.757 1.00 10.00 O ATOM 692 CB VAL A 49 -13.018 -40.436 -5.423 1.00 10.00 C ATOM 693 CG1 VAL A 49 -12.678 -41.743 -6.135 1.00 10.00 C ATOM 694 CG2 VAL A 49 -14.504 -40.083 -5.585 1.00 10.00 C ATOM 0 H VAL A 49 -14.346 -41.587 -3.608 1.00 10.00 H new ATOM 0 HA VAL A 49 -11.572 -41.009 -3.967 1.00 10.00 H new ATOM 0 HB VAL A 49 -12.485 -39.598 -5.873 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -12.990 -41.681 -7.177 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -11.603 -41.914 -6.088 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -13.198 -42.568 -5.649 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -14.748 -40.013 -6.645 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -15.115 -40.858 -5.123 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -14.705 -39.127 -5.102 1.00 10.00 H new ATOM 704 N GLN A 50 -11.196 -38.666 -3.358 1.00 10.00 N ATOM 705 CA GLN A 50 -10.854 -37.389 -2.771 1.00 10.00 C ATOM 706 C GLN A 50 -11.021 -36.250 -3.773 1.00 10.00 C ATOM 707 O GLN A 50 -10.887 -36.471 -4.975 1.00 10.00 O ATOM 708 CB GLN A 50 -9.437 -37.450 -2.189 1.00 10.00 C ATOM 709 CG GLN A 50 -8.352 -37.052 -3.198 1.00 10.00 C ATOM 710 CD GLN A 50 -6.950 -37.176 -2.610 1.00 10.00 C ATOM 711 OE1 GLN A 50 -6.289 -36.175 -2.357 1.00 10.00 O ATOM 712 NE2 GLN A 50 -6.479 -38.403 -2.401 1.00 10.00 N ATOM 0 H GLN A 50 -10.413 -39.125 -3.823 1.00 10.00 H new ATOM 0 HA GLN A 50 -11.545 -37.178 -1.955 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -9.378 -36.791 -1.323 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -9.240 -38.461 -1.834 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -8.431 -37.684 -4.083 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -8.519 -36.025 -3.523 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -7.055 -39.215 -2.622 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -5.542 -38.531 -2.019 1.00 10.00 H new ATOM 721 N GLN A 51 -11.255 -35.034 -3.277 1.00 10.00 N ATOM 722 CA GLN A 51 -11.298 -33.826 -4.091 1.00 10.00 C ATOM 723 C GLN A 51 -10.655 -32.705 -3.273 1.00 10.00 C ATOM 724 O GLN A 51 -10.690 -32.752 -2.045 1.00 10.00 O ATOM 725 CB GLN A 51 -12.723 -33.436 -4.528 1.00 10.00 C ATOM 726 CG GLN A 51 -13.730 -34.584 -4.725 1.00 10.00 C ATOM 727 CD GLN A 51 -14.529 -34.858 -3.452 1.00 10.00 C ATOM 728 OE1 GLN A 51 -15.340 -34.033 -3.050 1.00 10.00 O ATOM 729 NE2 GLN A 51 -14.354 -36.003 -2.799 1.00 10.00 N ATOM 0 H GLN A 51 -11.422 -34.862 -2.286 1.00 10.00 H new ATOM 0 HA GLN A 51 -10.754 -34.006 -5.018 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -13.130 -32.751 -3.784 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -12.651 -32.883 -5.465 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -14.413 -34.334 -5.537 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -13.198 -35.488 -5.023 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -13.677 -36.686 -3.139 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -14.897 -36.199 -1.958 1.00 10.00 H new ATOM 738 N THR A 52 -10.063 -31.700 -3.918 1.00 10.00 N ATOM 739 CA THR A 52 -9.460 -30.574 -3.218 1.00 10.00 C ATOM 740 C THR A 52 -10.562 -29.788 -2.502 1.00 10.00 C ATOM 741 O THR A 52 -11.576 -29.475 -3.121 1.00 10.00 O ATOM 742 CB THR A 52 -8.769 -29.686 -4.261 1.00 10.00 C ATOM 743 OG1 THR A 52 -8.042 -30.504 -5.156 1.00 10.00 O ATOM 744 CG2 THR A 52 -7.830 -28.671 -3.607 1.00 10.00 C ATOM 0 H THR A 52 -9.990 -31.646 -4.934 1.00 10.00 H new ATOM 0 HA THR A 52 -8.733 -30.914 -2.481 1.00 10.00 H new ATOM 0 HB THR A 52 -9.536 -29.127 -4.798 1.00 10.00 H new ATOM 0 HG1 THR A 52 -7.599 -29.943 -5.826 1.00 10.00 H new ATOM 0 HG21 THR A 52 -7.360 -28.061 -4.378 1.00 10.00 H new ATOM 0 HG22 THR A 52 -8.399 -28.030 -2.934 1.00 10.00 H new ATOM 0 HG23 THR A 52 -7.061 -29.198 -3.042 1.00 10.00 H new ATOM 752 N CYS A 53 -10.391 -29.450 -1.220 1.00 10.00 N ATOM 753 CA CYS A 53 -11.401 -28.686 -0.504 1.00 10.00 C ATOM 754 C CYS A 53 -11.429 -27.247 -1.033 1.00 10.00 C ATOM 755 O CYS A 53 -10.428 -26.543 -0.890 1.00 10.00 O ATOM 756 CB CYS A 53 -11.088 -28.680 0.990 1.00 10.00 C ATOM 757 SG CYS A 53 -12.358 -27.856 1.976 1.00 10.00 S ATOM 0 H CYS A 53 -9.569 -29.693 -0.667 1.00 10.00 H new ATOM 0 HA CYS A 53 -12.376 -29.148 -0.661 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -10.977 -29.708 1.336 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -10.131 -28.184 1.153 1.00 10.00 H new ATOM 762 N PRO A 54 -12.539 -26.772 -1.622 1.00 10.00 N ATOM 763 CA PRO A 54 -12.606 -25.420 -2.149 1.00 10.00 C ATOM 764 C PRO A 54 -12.616 -24.389 -1.018 1.00 10.00 C ATOM 765 O PRO A 54 -11.988 -23.339 -1.145 1.00 10.00 O ATOM 766 CB PRO A 54 -13.879 -25.380 -2.995 1.00 10.00 C ATOM 767 CG PRO A 54 -14.786 -26.415 -2.330 1.00 10.00 C ATOM 768 CD PRO A 54 -13.798 -27.474 -1.837 1.00 10.00 C ATOM 0 HA PRO A 54 -11.734 -25.166 -2.752 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -14.332 -24.389 -2.991 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -13.677 -25.634 -4.036 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -15.357 -25.982 -1.508 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -15.506 -26.832 -3.034 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -14.149 -27.938 -0.915 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -13.681 -28.271 -2.571 1.00 10.00 H new ATOM 776 N HIS A 55 -13.315 -24.690 0.085 1.00 10.00 N ATOM 777 CA HIS A 55 -13.471 -23.823 1.252 1.00 10.00 C ATOM 778 C HIS A 55 -12.163 -23.149 1.685 1.00 10.00 C ATOM 779 O HIS A 55 -12.185 -21.995 2.110 1.00 10.00 O ATOM 780 CB HIS A 55 -14.077 -24.632 2.409 1.00 10.00 C ATOM 781 CG HIS A 55 -14.579 -23.807 3.570 1.00 10.00 C ATOM 782 ND1 HIS A 55 -14.302 -22.480 3.821 1.00 10.00 N ATOM 783 CD2 HIS A 55 -15.406 -24.248 4.567 1.00 10.00 C ATOM 784 CE1 HIS A 55 -14.964 -22.132 4.937 1.00 10.00 C ATOM 785 NE2 HIS A 55 -15.646 -23.178 5.432 1.00 10.00 N ATOM 0 H HIS A 55 -13.804 -25.579 0.189 1.00 10.00 H new ATOM 0 HA HIS A 55 -14.144 -23.013 0.970 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -14.903 -25.228 2.022 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -13.325 -25.330 2.777 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -13.703 -21.873 3.261 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -15.803 -25.247 4.667 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -14.950 -21.146 5.376 1.00 10.00 H new ATOM 793 N CYS A 56 -11.044 -23.872 1.588 1.00 10.00 N ATOM 794 CA CYS A 56 -9.718 -23.381 1.943 1.00 10.00 C ATOM 795 C CYS A 56 -8.730 -23.594 0.791 1.00 10.00 C ATOM 796 O CYS A 56 -7.529 -23.699 1.029 1.00 10.00 O ATOM 797 CB CYS A 56 -9.254 -24.063 3.234 1.00 10.00 C ATOM 798 SG CYS A 56 -9.419 -25.863 3.268 1.00 10.00 S ATOM 0 H CYS A 56 -11.039 -24.835 1.253 1.00 10.00 H new ATOM 0 HA CYS A 56 -9.762 -22.307 2.121 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -8.208 -23.809 3.403 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.821 -23.648 4.067 1.00 10.00 H new ATOM 803 N GLN A 57 -9.223 -23.659 -0.451 1.00 10.00 N ATOM 804 CA GLN A 57 -8.421 -23.841 -1.658 1.00 10.00 C ATOM 805 C GLN A 57 -7.310 -24.886 -1.465 1.00 10.00 C ATOM 806 O GLN A 57 -6.152 -24.646 -1.797 1.00 10.00 O ATOM 807 CB GLN A 57 -7.855 -22.482 -2.108 1.00 10.00 C ATOM 808 CG GLN A 57 -8.939 -21.441 -2.422 1.00 10.00 C ATOM 809 CD GLN A 57 -9.724 -21.793 -3.682 1.00 10.00 C ATOM 810 OE1 GLN A 57 -9.264 -21.548 -4.792 1.00 10.00 O ATOM 811 NE2 GLN A 57 -10.913 -22.371 -3.537 1.00 10.00 N ATOM 0 H GLN A 57 -10.221 -23.584 -0.646 1.00 10.00 H new ATOM 0 HA GLN A 57 -9.066 -24.232 -2.445 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -7.203 -22.092 -1.326 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -7.237 -22.630 -2.994 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -9.624 -21.366 -1.578 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -8.476 -20.462 -2.545 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -11.275 -22.565 -2.603 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -11.463 -22.620 -4.359 1.00 10.00 H new ATOM 820 N GLY A 58 -7.659 -26.052 -0.918 1.00 10.00 N ATOM 821 CA GLY A 58 -6.716 -27.141 -0.700 1.00 10.00 C ATOM 822 C GLY A 58 -5.714 -26.930 0.441 1.00 10.00 C ATOM 823 O GLY A 58 -5.003 -27.868 0.790 1.00 10.00 O ATOM 0 H GLY A 58 -8.609 -26.264 -0.614 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -7.280 -28.052 -0.500 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -6.160 -27.306 -1.623 1.00 10.00 H new ATOM 827 N ARG A 59 -5.631 -25.738 1.040 1.00 10.00 N ATOM 828 CA ARG A 59 -4.665 -25.441 2.096 1.00 10.00 C ATOM 829 C ARG A 59 -5.034 -26.059 3.451 1.00 10.00 C ATOM 830 O ARG A 59 -4.249 -25.984 4.394 1.00 10.00 O ATOM 831 CB ARG A 59 -4.482 -23.922 2.229 1.00 10.00 C ATOM 832 CG ARG A 59 -4.025 -23.296 0.903 1.00 10.00 C ATOM 833 CD ARG A 59 -3.635 -21.818 1.062 1.00 10.00 C ATOM 834 NE ARG A 59 -2.647 -21.604 2.129 1.00 10.00 N ATOM 835 CZ ARG A 59 -1.390 -22.068 2.145 1.00 10.00 C ATOM 836 NH1 ARG A 59 -0.867 -22.664 1.068 1.00 10.00 N ATOM 837 NH2 ARG A 59 -0.654 -21.931 3.251 1.00 10.00 N ATOM 0 H ARG A 59 -6.235 -24.951 0.803 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.723 -25.902 1.798 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -5.421 -23.467 2.544 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.748 -23.709 3.006 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -3.174 -23.855 0.514 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -4.825 -23.382 0.168 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -3.231 -21.450 0.119 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -4.528 -21.232 1.277 1.00 10.00 H new ATOM 0 HE ARG A 59 -2.946 -21.051 2.932 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -1.426 -22.770 0.222 1.00 10.00 H new ATOM 0 HH12 ARG A 59 0.091 -23.013 1.093 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -1.050 -21.476 4.074 1.00 10.00 H new ATOM 0 HH22 ARG A 59 0.304 -22.281 3.273 1.00 10.00 H new ATOM 851 N GLY A 60 -6.237 -26.625 3.585 1.00 10.00 N ATOM 852 CA GLY A 60 -6.714 -27.243 4.822 1.00 10.00 C ATOM 853 C GLY A 60 -6.873 -26.274 5.999 1.00 10.00 C ATOM 854 O GLY A 60 -7.257 -26.694 7.091 1.00 10.00 O ATOM 0 H GLY A 60 -6.916 -26.666 2.825 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.675 -27.719 4.628 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -6.020 -28.033 5.110 1.00 10.00 H new ATOM 858 N THR A 61 -6.576 -24.989 5.793 1.00 10.00 N ATOM 859 CA THR A 61 -6.562 -23.965 6.812 1.00 10.00 C ATOM 860 C THR A 61 -7.497 -22.819 6.434 1.00 10.00 C ATOM 861 O THR A 61 -7.425 -22.266 5.339 1.00 10.00 O ATOM 862 CB THR A 61 -5.111 -23.481 6.972 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.406 -23.543 5.744 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.370 -24.328 8.007 1.00 10.00 C ATOM 0 H THR A 61 -6.330 -24.630 4.870 1.00 10.00 H new ATOM 0 HA THR A 61 -6.921 -24.364 7.761 1.00 10.00 H new ATOM 0 HB THR A 61 -5.155 -22.444 7.306 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.313 -24.478 5.467 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.345 -23.969 8.105 1.00 10.00 H new ATOM 0 HG22 THR A 61 -4.875 -24.250 8.970 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.360 -25.369 7.685 1.00 10.00 H new ATOM 872 N LEU A 62 -8.363 -22.450 7.373 1.00 10.00 N ATOM 873 CA LEU A 62 -9.292 -21.348 7.255 1.00 10.00 C ATOM 874 C LEU A 62 -8.514 -20.103 7.658 1.00 10.00 C ATOM 875 O LEU A 62 -8.197 -19.922 8.841 1.00 10.00 O ATOM 876 CB LEU A 62 -10.501 -21.553 8.177 1.00 10.00 C ATOM 877 CG LEU A 62 -11.313 -22.820 7.865 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.373 -23.005 8.955 1.00 10.00 C ATOM 879 CD2 LEU A 62 -12.001 -22.717 6.499 1.00 10.00 C ATOM 0 H LEU A 62 -8.434 -22.933 8.268 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.683 -21.265 6.241 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.155 -21.600 9.209 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -11.156 -20.685 8.100 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.635 -23.673 7.839 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -12.957 -23.901 8.746 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -11.884 -23.108 9.924 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.033 -22.138 8.972 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -12.567 -23.628 6.307 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -12.677 -21.862 6.496 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.248 -22.587 5.721 1.00 10.00 H new ATOM 891 N ILE A 63 -8.186 -19.278 6.663 1.00 10.00 N ATOM 892 CA ILE A 63 -7.433 -18.046 6.822 1.00 10.00 C ATOM 893 C ILE A 63 -8.335 -17.002 7.491 1.00 10.00 C ATOM 894 O ILE A 63 -8.833 -16.084 6.844 1.00 10.00 O ATOM 895 CB ILE A 63 -6.876 -17.588 5.458 1.00 10.00 C ATOM 896 CG1 ILE A 63 -6.141 -18.691 4.672 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.943 -16.389 5.654 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.917 -19.273 5.382 1.00 10.00 C ATOM 0 H ILE A 63 -8.449 -19.460 5.694 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.568 -18.196 7.468 1.00 10.00 H new ATOM 0 HB ILE A 63 -7.743 -17.313 4.858 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -6.842 -19.499 4.464 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.828 -18.286 3.710 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -5.553 -16.070 4.688 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.496 -15.568 6.111 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.115 -16.674 6.303 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -4.464 -20.041 4.755 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -4.192 -18.480 5.566 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -5.222 -19.713 6.332 1.00 10.00 H new ATOM 910 N LYS A 64 -8.555 -17.181 8.796 1.00 10.00 N ATOM 911 CA LYS A 64 -9.391 -16.349 9.654 1.00 10.00 C ATOM 912 C LYS A 64 -9.236 -14.852 9.352 1.00 10.00 C ATOM 913 O LYS A 64 -10.225 -14.142 9.188 1.00 10.00 O ATOM 914 CB LYS A 64 -9.030 -16.678 11.111 1.00 10.00 C ATOM 915 CG LYS A 64 -9.905 -15.941 12.132 1.00 10.00 C ATOM 916 CD LYS A 64 -9.516 -16.384 13.547 1.00 10.00 C ATOM 917 CE LYS A 64 -10.334 -15.627 14.597 1.00 10.00 C ATOM 918 NZ LYS A 64 -9.968 -16.045 15.962 1.00 10.00 N ATOM 0 H LYS A 64 -8.129 -17.954 9.307 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.442 -16.569 9.465 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -9.126 -17.752 11.268 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -7.985 -16.422 11.286 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -9.776 -14.864 12.028 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -10.958 -16.156 11.948 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -9.680 -17.456 13.655 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -8.453 -16.206 13.710 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -10.170 -14.555 14.486 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -11.397 -15.806 14.432 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -10.538 -15.515 16.652 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -10.148 -17.063 16.073 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -8.959 -15.852 16.126 1.00 10.00 H new ATOM 932 N ASP A 65 -7.990 -14.377 9.309 1.00 10.00 N ATOM 933 CA ASP A 65 -7.612 -12.991 9.059 1.00 10.00 C ATOM 934 C ASP A 65 -6.330 -13.005 8.209 1.00 10.00 C ATOM 935 O ASP A 65 -5.254 -13.256 8.749 1.00 10.00 O ATOM 936 CB ASP A 65 -7.478 -12.204 10.377 1.00 10.00 C ATOM 937 CG ASP A 65 -6.704 -12.868 11.518 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.256 -14.025 11.365 1.00 10.00 O ATOM 939 OD2 ASP A 65 -6.579 -12.184 12.555 1.00 10.00 O ATOM 0 H ASP A 65 -7.180 -14.980 9.455 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.388 -12.464 8.503 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.997 -11.252 10.153 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -8.481 -11.978 10.738 1.00 10.00 H new ATOM 944 N PRO A 66 -6.427 -12.806 6.881 1.00 10.00 N ATOM 945 CA PRO A 66 -5.309 -12.974 5.961 1.00 10.00 C ATOM 946 C PRO A 66 -4.164 -11.974 6.105 1.00 10.00 C ATOM 947 O PRO A 66 -4.361 -10.776 6.293 1.00 10.00 O ATOM 948 CB PRO A 66 -5.909 -12.924 4.550 1.00 10.00 C ATOM 949 CG PRO A 66 -7.181 -12.104 4.736 1.00 10.00 C ATOM 950 CD PRO A 66 -7.642 -12.504 6.137 1.00 10.00 C ATOM 0 HA PRO A 66 -4.826 -13.924 6.191 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.228 -12.454 3.840 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.126 -13.922 4.170 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.986 -11.034 4.665 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -7.930 -12.343 3.981 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.201 -11.697 6.611 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.303 -13.370 6.099 1.00 10.00 H new ATOM 958 N CYS A 67 -2.948 -12.498 5.943 1.00 10.00 N ATOM 959 CA CYS A 67 -1.709 -11.751 5.933 1.00 10.00 C ATOM 960 C CYS A 67 -1.583 -11.078 4.564 1.00 10.00 C ATOM 961 O CYS A 67 -1.101 -11.681 3.599 1.00 10.00 O ATOM 962 CB CYS A 67 -0.560 -12.723 6.208 1.00 10.00 C ATOM 963 SG CYS A 67 1.099 -11.994 6.276 1.00 10.00 S ATOM 0 H CYS A 67 -2.804 -13.499 5.810 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.684 -10.978 6.701 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.754 -13.225 7.156 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.567 -13.490 5.434 1.00 10.00 H new ATOM 968 N ASN A 68 -2.044 -9.827 4.491 1.00 10.00 N ATOM 969 CA ASN A 68 -2.029 -8.975 3.304 1.00 10.00 C ATOM 970 C ASN A 68 -0.721 -9.090 2.515 1.00 10.00 C ATOM 971 O ASN A 68 -0.759 -9.230 1.293 1.00 10.00 O ATOM 972 CB ASN A 68 -2.331 -7.514 3.681 1.00 10.00 C ATOM 973 CG ASN A 68 -1.243 -6.854 4.531 1.00 10.00 C ATOM 974 OD1 ASN A 68 -0.530 -7.519 5.278 1.00 10.00 O ATOM 975 ND2 ASN A 68 -1.098 -5.537 4.426 1.00 10.00 N ATOM 0 H ASN A 68 -2.457 -9.360 5.298 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.819 -9.330 2.642 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -2.466 -6.934 2.768 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -3.275 -7.477 4.225 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -0.383 -5.058 4.973 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.702 -5.006 3.799 1.00 10.00 H new ATOM 982 N LYS A 69 0.419 -9.054 3.213 1.00 10.00 N ATOM 983 CA LYS A 69 1.769 -9.168 2.666 1.00 10.00 C ATOM 984 C LYS A 69 1.887 -10.271 1.608 1.00 10.00 C ATOM 985 O LYS A 69 2.588 -10.096 0.615 1.00 10.00 O ATOM 986 CB LYS A 69 2.751 -9.411 3.822 1.00 10.00 C ATOM 987 CG LYS A 69 4.211 -9.460 3.351 1.00 10.00 C ATOM 988 CD LYS A 69 5.141 -9.575 4.563 1.00 10.00 C ATOM 989 CE LYS A 69 6.614 -9.700 4.156 1.00 10.00 C ATOM 990 NZ LYS A 69 6.894 -10.979 3.478 1.00 10.00 N ATOM 0 H LYS A 69 0.422 -8.939 4.226 1.00 10.00 H new ATOM 0 HA LYS A 69 2.011 -8.235 2.157 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.638 -8.620 4.563 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.500 -10.349 4.317 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.360 -10.309 2.684 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.450 -8.562 2.781 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.015 -8.699 5.199 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.855 -10.444 5.156 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.879 -8.874 3.496 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.243 -9.614 5.042 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 7.812 -11.349 3.799 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.146 -11.664 3.706 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.923 -10.828 2.449 1.00 10.00 H new ATOM 1004 N CYS A 70 1.211 -11.404 1.824 1.00 10.00 N ATOM 1005 CA CYS A 70 1.223 -12.549 0.918 1.00 10.00 C ATOM 1006 C CYS A 70 -0.199 -12.907 0.482 1.00 10.00 C ATOM 1007 O CYS A 70 -0.470 -14.051 0.121 1.00 10.00 O ATOM 1008 CB CYS A 70 1.875 -13.725 1.640 1.00 10.00 C ATOM 1009 SG CYS A 70 1.079 -14.130 3.207 1.00 10.00 S ATOM 0 H CYS A 70 0.630 -11.550 2.650 1.00 10.00 H new ATOM 0 HA CYS A 70 1.790 -12.304 0.020 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.850 -14.600 0.991 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.924 -13.494 1.823 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.112 -11.935 0.549 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.519 -12.077 0.204 1.00 10.00 C ATOM 1016 C HIS A 71 -3.119 -13.351 0.814 1.00 10.00 C ATOM 1017 O HIS A 71 -3.920 -14.035 0.183 1.00 10.00 O ATOM 1018 CB HIS A 71 -2.692 -12.021 -1.322 1.00 10.00 C ATOM 1019 CG HIS A 71 -2.122 -10.791 -1.993 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -1.561 -9.688 -1.381 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -2.065 -10.579 -3.345 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -1.173 -8.840 -2.348 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -1.461 -9.337 -3.562 1.00 10.00 N ATOM 0 H HIS A 71 -0.877 -10.992 0.858 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.074 -11.243 0.634 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.222 -12.903 -1.757 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -3.756 -12.081 -1.553 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -1.459 -9.543 -0.376 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -2.424 -11.253 -4.109 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -0.694 -7.888 -2.173 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.730 -13.679 2.050 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.240 -14.851 2.742 1.00 10.00 C ATOM 1033 C GLY A 72 -2.706 -16.203 2.247 1.00 10.00 C ATOM 1034 O GLY A 72 -3.059 -17.223 2.831 1.00 10.00 O ATOM 0 H GLY A 72 -2.056 -13.138 2.591 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -3.005 -14.755 3.802 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.327 -14.857 2.655 1.00 10.00 H new ATOM 1038 N HIS A 73 -1.866 -16.257 1.204 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.348 -17.521 0.686 1.00 10.00 C ATOM 1040 C HIS A 73 -0.296 -18.132 1.617 1.00 10.00 C ATOM 1041 O HIS A 73 -0.121 -19.348 1.666 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.767 -17.279 -0.708 1.00 10.00 C ATOM 1043 CG HIS A 73 -0.423 -18.536 -1.464 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -0.470 -19.830 -0.992 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -0.024 -18.585 -2.768 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -0.103 -20.640 -2.001 1.00 10.00 C ATOM 1047 NE2 HIS A 73 0.184 -19.927 -3.103 1.00 10.00 N ATOM 0 H HIS A 73 -1.532 -15.433 0.704 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.166 -18.239 0.628 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -1.484 -16.702 -1.292 1.00 10.00 H new ATOM 0 HB3 HIS A 73 0.131 -16.669 -0.613 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -0.734 -20.120 -0.051 1.00 10.00 H new ATOM 0 HD2 HIS A 73 0.108 -17.738 -3.425 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -0.047 -21.716 -1.934 1.00 10.00 H new ATOM 1055 N GLY A 74 0.428 -17.276 2.332 1.00 10.00 N ATOM 1056 CA GLY A 74 1.467 -17.654 3.278 1.00 10.00 C ATOM 1057 C GLY A 74 2.875 -17.672 2.682 1.00 10.00 C ATOM 1058 O GLY A 74 3.823 -18.069 3.359 1.00 10.00 O ATOM 0 H GLY A 74 0.301 -16.266 2.265 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.448 -16.960 4.119 1.00 10.00 H new ATOM 0 HA3 GLY A 74 1.239 -18.643 3.676 1.00 10.00 H new ATOM 1062 N ARG A 75 3.041 -17.200 1.445 1.00 10.00 N ATOM 1063 CA ARG A 75 4.334 -17.124 0.786 1.00 10.00 C ATOM 1064 C ARG A 75 4.318 -15.987 -0.225 1.00 10.00 C ATOM 1065 O ARG A 75 3.258 -15.675 -0.766 1.00 10.00 O ATOM 1066 CB ARG A 75 4.680 -18.464 0.126 1.00 10.00 C ATOM 1067 CG ARG A 75 3.635 -18.914 -0.912 1.00 10.00 C ATOM 1068 CD ARG A 75 3.263 -20.392 -0.748 1.00 10.00 C ATOM 1069 NE ARG A 75 2.424 -20.581 0.445 1.00 10.00 N ATOM 1070 CZ ARG A 75 2.828 -20.967 1.664 1.00 10.00 C ATOM 1071 NH1 ARG A 75 4.050 -21.467 1.871 1.00 10.00 N ATOM 1072 NH2 ARG A 75 1.987 -20.809 2.684 1.00 10.00 N ATOM 0 H ARG A 75 2.270 -16.858 0.872 1.00 10.00 H new ATOM 0 HA ARG A 75 5.110 -16.918 1.524 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.653 -18.383 -0.359 1.00 10.00 H new ATOM 0 HB3 ARG A 75 4.770 -19.229 0.897 1.00 10.00 H new ATOM 0 HG2 ARG A 75 2.739 -18.301 -0.813 1.00 10.00 H new ATOM 0 HG3 ARG A 75 4.026 -18.748 -1.916 1.00 10.00 H new ATOM 0 HD2 ARG A 75 2.731 -20.740 -1.633 1.00 10.00 H new ATOM 0 HD3 ARG A 75 4.168 -20.994 -0.663 1.00 10.00 H new ATOM 0 HE ARG A 75 1.427 -20.399 0.333 1.00 10.00 H new ATOM 0 HH11 ARG A 75 4.701 -21.563 1.091 1.00 10.00 H new ATOM 0 HH12 ARG A 75 4.332 -21.753 2.809 1.00 10.00 H new ATOM 0 HH21 ARG A 75 1.064 -20.404 2.526 1.00 10.00 H new ATOM 0 HH22 ARG A 75 2.265 -21.093 3.623 1.00 10.00 H new ATOM 1086 N VAL A 76 5.478 -15.378 -0.472 1.00 10.00 N ATOM 1087 CA VAL A 76 5.624 -14.280 -1.421 1.00 10.00 C ATOM 1088 C VAL A 76 6.435 -14.763 -2.621 1.00 10.00 C ATOM 1089 O VAL A 76 7.474 -15.401 -2.449 1.00 10.00 O ATOM 1090 CB VAL A 76 6.230 -13.034 -0.744 1.00 10.00 C ATOM 1091 CG1 VAL A 76 5.292 -12.513 0.352 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.621 -13.265 -0.138 1.00 10.00 C ATOM 0 H VAL A 76 6.351 -15.638 -0.012 1.00 10.00 H new ATOM 0 HA VAL A 76 4.644 -13.969 -1.782 1.00 10.00 H new ATOM 0 HB VAL A 76 6.347 -12.299 -1.540 1.00 10.00 H new ATOM 0 HG11 VAL A 76 5.733 -11.633 0.821 1.00 10.00 H new ATOM 0 HG12 VAL A 76 4.331 -12.246 -0.088 1.00 10.00 H new ATOM 0 HG13 VAL A 76 5.144 -13.289 1.103 1.00 10.00 H new ATOM 0 HG21 VAL A 76 7.977 -12.341 0.318 1.00 10.00 H new ATOM 0 HG22 VAL A 76 7.562 -14.046 0.621 1.00 10.00 H new ATOM 0 HG23 VAL A 76 8.313 -13.572 -0.922 1.00 10.00 H new ATOM 1102 N GLU A 77 5.952 -14.482 -3.835 1.00 10.00 N ATOM 1103 CA GLU A 77 6.614 -14.871 -5.069 1.00 10.00 C ATOM 1104 C GLU A 77 7.672 -13.828 -5.421 1.00 10.00 C ATOM 1105 O GLU A 77 7.353 -12.767 -5.955 1.00 10.00 O ATOM 1106 CB GLU A 77 5.579 -15.050 -6.190 1.00 10.00 C ATOM 1107 CG GLU A 77 6.258 -15.489 -7.494 1.00 10.00 C ATOM 1108 CD GLU A 77 5.252 -16.011 -8.513 1.00 10.00 C ATOM 1109 OE1 GLU A 77 4.674 -15.165 -9.229 1.00 10.00 O ATOM 1110 OE2 GLU A 77 5.075 -17.248 -8.550 1.00 10.00 O ATOM 0 H GLU A 77 5.081 -13.972 -3.983 1.00 10.00 H new ATOM 0 HA GLU A 77 7.116 -15.830 -4.941 1.00 10.00 H new ATOM 0 HB2 GLU A 77 4.839 -15.793 -5.892 1.00 10.00 H new ATOM 0 HB3 GLU A 77 5.044 -14.114 -6.350 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.803 -14.647 -7.921 1.00 10.00 H new ATOM 0 HG3 GLU A 77 6.991 -16.266 -7.277 1.00 10.00 H new ATOM 1117 N ARG A 78 8.938 -14.134 -5.144 1.00 10.00 N ATOM 1118 CA ARG A 78 10.056 -13.255 -5.445 1.00 10.00 C ATOM 1119 C ARG A 78 10.415 -13.388 -6.931 1.00 10.00 C ATOM 1120 O ARG A 78 11.522 -13.785 -7.284 1.00 10.00 O ATOM 1121 CB ARG A 78 11.207 -13.616 -4.498 1.00 10.00 C ATOM 1122 CG ARG A 78 12.386 -12.635 -4.578 1.00 10.00 C ATOM 1123 CD ARG A 78 13.385 -12.959 -3.467 1.00 10.00 C ATOM 1124 NE ARG A 78 14.612 -12.165 -3.577 1.00 10.00 N ATOM 1125 CZ ARG A 78 15.644 -12.276 -2.729 1.00 10.00 C ATOM 1126 NH1 ARG A 78 15.599 -13.149 -1.715 1.00 10.00 N ATOM 1127 NH2 ARG A 78 16.724 -11.508 -2.904 1.00 10.00 N ATOM 0 H ARG A 78 9.215 -15.009 -4.700 1.00 10.00 H new ATOM 0 HA ARG A 78 9.812 -12.205 -5.282 1.00 10.00 H new ATOM 0 HB2 ARG A 78 10.833 -13.641 -3.475 1.00 10.00 H new ATOM 0 HB3 ARG A 78 11.561 -14.620 -4.733 1.00 10.00 H new ATOM 0 HG2 ARG A 78 12.870 -12.708 -5.552 1.00 10.00 H new ATOM 0 HG3 ARG A 78 12.030 -11.610 -4.476 1.00 10.00 H new ATOM 0 HD2 ARG A 78 12.921 -12.775 -2.498 1.00 10.00 H new ATOM 0 HD3 ARG A 78 13.636 -14.019 -3.504 1.00 10.00 H new ATOM 0 HE ARG A 78 14.684 -11.492 -4.340 1.00 10.00 H new ATOM 0 HH11 ARG A 78 14.775 -13.736 -1.583 1.00 10.00 H new ATOM 0 HH12 ARG A 78 16.389 -13.227 -1.074 1.00 10.00 H new ATOM 0 HH21 ARG A 78 16.758 -10.844 -3.678 1.00 10.00 H new ATOM 0 HH22 ARG A 78 17.514 -11.586 -2.264 1.00 10.00 H new ATOM 1141 N SER A 79 9.466 -13.062 -7.810 1.00 10.00 N ATOM 1142 CA SER A 79 9.614 -13.125 -9.258 1.00 10.00 C ATOM 1143 C SER A 79 8.358 -12.543 -9.902 1.00 10.00 C ATOM 1144 O SER A 79 7.543 -11.921 -9.222 1.00 10.00 O ATOM 1145 CB SER A 79 9.860 -14.568 -9.728 1.00 10.00 C ATOM 1146 OG SER A 79 8.847 -15.426 -9.241 1.00 10.00 O ATOM 0 H SER A 79 8.544 -12.736 -7.520 1.00 10.00 H new ATOM 0 HA SER A 79 10.483 -12.541 -9.561 1.00 10.00 H new ATOM 0 HB2 SER A 79 9.882 -14.603 -10.817 1.00 10.00 H new ATOM 0 HB3 SER A 79 10.834 -14.910 -9.378 1.00 10.00 H new ATOM 0 HG SER A 79 8.380 -15.841 -9.995 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 2.091 -13.790 5.227 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -10.929 -27.526 3.742 1.00 10.00 ZN