USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 428 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 6 LYS NZ :NH3+ -119:sc= 0.823 (180deg=0) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -1.77 K(o=-0.95,f=-15!) USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0.331 USER MOD Set 2.2: A 50 THR OG1 : rot 13:sc= 0.15 USER MOD Set 3.1: A 31 GLN : amide:sc= -0.469 K(o=0.16,f=-1.3!) USER MOD Set 3.2: A 33 TYR OH : rot -49:sc= 0.627 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -85:sc= 1.46 USER MOD Single : A 16 TYR OH : rot 144:sc= -4.35! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -42:sc= 1.29 USER MOD Single : A 34 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.26) USER MOD Single : A 35 ASN : amide:sc= -7.7! C(o=-7.7!,f=-20!) USER MOD Single : A 38 MET CE :methyl -147:sc= -0.372 (180deg=-2.02!) USER MOD Single : A 41 HIS : no HE2:sc= 0.325 K(o=0.33,f=-1.7) USER MOD Single : A 43 ASN : amide:sc= -5.56! C(o=-5.6!,f=-6.6!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc=-0.00626 (180deg=-0.172) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 -14.618 -8.113 5.074 1.00 0.00 N ATOM 42 CA MET A 4 -15.733 -7.179 4.753 1.00 0.00 C ATOM 43 C MET A 4 -15.632 -5.956 5.667 1.00 0.00 C ATOM 44 O MET A 4 -16.038 -4.867 5.313 1.00 0.00 O ATOM 45 CB MET A 4 -17.073 -7.881 4.979 1.00 0.00 C ATOM 46 CG MET A 4 -17.168 -9.101 4.058 1.00 0.00 C ATOM 47 SD MET A 4 -18.840 -9.791 4.140 1.00 0.00 S ATOM 48 CE MET A 4 -18.603 -11.101 2.915 1.00 0.00 C ATOM 0 HA MET A 4 -15.666 -6.868 3.711 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.164 -8.190 6.020 1.00 0.00 H new ATOM 0 HB3 MET A 4 -17.895 -7.194 4.777 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.931 -8.816 3.033 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.438 -9.853 4.357 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.528 -11.666 2.803 1.00 0.00 H new ATOM 0 HE2 MET A 4 -18.330 -10.658 1.957 1.00 0.00 H new ATOM 0 HE3 MET A 4 -17.808 -11.769 3.246 1.00 0.00 H new ATOM 58 N CYS A 5 -15.088 -6.129 6.841 1.00 0.00 N ATOM 59 CA CYS A 5 -14.952 -4.980 7.776 1.00 0.00 C ATOM 60 C CYS A 5 -13.604 -4.295 7.522 1.00 0.00 C ATOM 61 O CYS A 5 -13.366 -3.193 7.976 1.00 0.00 O ATOM 62 CB CYS A 5 -15.063 -5.495 9.230 1.00 0.00 C ATOM 63 SG CYS A 5 -13.989 -4.553 10.356 1.00 0.00 S ATOM 0 H CYS A 5 -14.732 -7.018 7.192 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.745 -4.250 7.614 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -16.097 -5.421 9.565 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -14.792 -6.550 9.265 1.00 0.00 H new ATOM 68 N LYS A 6 -12.725 -4.929 6.793 1.00 0.00 N ATOM 69 CA LYS A 6 -11.409 -4.292 6.510 1.00 0.00 C ATOM 70 C LYS A 6 -11.661 -2.849 6.084 1.00 0.00 C ATOM 71 O LYS A 6 -10.843 -1.972 6.280 1.00 0.00 O ATOM 72 CB LYS A 6 -10.702 -5.051 5.386 1.00 0.00 C ATOM 73 CG LYS A 6 -9.958 -6.247 5.981 1.00 0.00 C ATOM 74 CD LYS A 6 -9.007 -6.832 4.936 1.00 0.00 C ATOM 75 CE LYS A 6 -8.442 -8.159 5.447 1.00 0.00 C ATOM 76 NZ LYS A 6 -7.241 -7.893 6.288 1.00 0.00 N ATOM 0 H LYS A 6 -12.861 -5.854 6.384 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.777 -4.316 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.428 -5.390 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.004 -4.393 4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.398 -5.937 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.670 -7.006 6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.535 -6.987 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.196 -6.132 4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.197 -8.689 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.177 -8.802 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.411 -8.353 5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.077 -6.868 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.395 -8.273 7.244 1.00 0.00 H new ATOM 90 N ASP A 7 -12.809 -2.601 5.521 1.00 0.00 N ATOM 91 CA ASP A 7 -13.162 -1.221 5.095 1.00 0.00 C ATOM 92 C ASP A 7 -14.410 -0.795 5.864 1.00 0.00 C ATOM 93 O ASP A 7 -15.302 -0.163 5.333 1.00 0.00 O ATOM 94 CB ASP A 7 -13.450 -1.202 3.592 1.00 0.00 C ATOM 95 CG ASP A 7 -14.556 -2.210 3.272 1.00 0.00 C ATOM 96 OD1 ASP A 7 -14.986 -2.899 4.183 1.00 0.00 O ATOM 97 OD2 ASP A 7 -14.955 -2.276 2.120 1.00 0.00 O ATOM 0 H ASP A 7 -13.525 -3.304 5.336 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.338 -0.538 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.753 -0.202 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.546 -1.448 3.035 1.00 0.00 H new ATOM 102 N TYR A 8 -14.479 -1.156 7.116 1.00 0.00 N ATOM 103 CA TYR A 8 -15.665 -0.801 7.942 1.00 0.00 C ATOM 104 C TYR A 8 -15.558 0.651 8.406 1.00 0.00 C ATOM 105 O TYR A 8 -14.485 1.217 8.474 1.00 0.00 O ATOM 106 CB TYR A 8 -15.710 -1.716 9.168 1.00 0.00 C ATOM 107 CG TYR A 8 -17.144 -2.008 9.535 1.00 0.00 C ATOM 108 CD1 TYR A 8 -17.927 -1.023 10.147 1.00 0.00 C ATOM 109 CD2 TYR A 8 -17.688 -3.269 9.269 1.00 0.00 C ATOM 110 CE1 TYR A 8 -19.255 -1.299 10.491 1.00 0.00 C ATOM 111 CE2 TYR A 8 -19.014 -3.547 9.612 1.00 0.00 C ATOM 112 CZ TYR A 8 -19.800 -2.562 10.223 1.00 0.00 C ATOM 113 OH TYR A 8 -21.110 -2.835 10.562 1.00 0.00 O ATOM 0 H TYR A 8 -13.758 -1.686 7.605 1.00 0.00 H new ATOM 0 HA TYR A 8 -16.570 -0.924 7.348 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -15.182 -2.646 8.959 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.200 -1.242 10.006 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -17.507 -0.050 10.354 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.082 -4.029 8.798 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -19.860 -0.539 10.963 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -19.432 -4.521 9.406 1.00 0.00 H new ATOM 0 HH TYR A 8 -21.153 -3.122 11.498 1.00 0.00 H new ATOM 123 N ARG A 9 -16.666 1.254 8.735 1.00 0.00 N ATOM 124 CA ARG A 9 -16.637 2.666 9.206 1.00 0.00 C ATOM 125 C ARG A 9 -17.795 2.892 10.176 1.00 0.00 C ATOM 126 O ARG A 9 -18.952 2.809 9.812 1.00 0.00 O ATOM 127 CB ARG A 9 -16.773 3.612 8.015 1.00 0.00 C ATOM 128 CG ARG A 9 -15.382 3.954 7.482 1.00 0.00 C ATOM 129 CD ARG A 9 -15.472 5.190 6.588 1.00 0.00 C ATOM 130 NE ARG A 9 -14.467 5.088 5.495 1.00 0.00 N ATOM 131 CZ ARG A 9 -14.586 5.829 4.427 1.00 0.00 C ATOM 132 NH1 ARG A 9 -13.779 6.837 4.239 1.00 0.00 N ATOM 133 NH2 ARG A 9 -15.513 5.562 3.547 1.00 0.00 N ATOM 0 H ARG A 9 -17.592 0.829 8.698 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.691 2.864 9.710 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -17.371 3.146 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.294 4.521 8.315 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.698 4.140 8.310 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.979 3.112 6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.474 5.275 6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.295 6.091 7.176 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.685 4.439 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.055 7.046 4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.872 7.416 3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.144 4.774 3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.606 6.141 2.712 1.00 0.00 H new ATOM 147 N VAL A 10 -17.492 3.171 11.411 1.00 0.00 N ATOM 148 CA VAL A 10 -18.571 3.395 12.412 1.00 0.00 C ATOM 149 C VAL A 10 -18.399 4.776 13.049 1.00 0.00 C ATOM 150 O VAL A 10 -17.298 5.259 13.218 1.00 0.00 O ATOM 151 CB VAL A 10 -18.486 2.316 13.493 1.00 0.00 C ATOM 152 CG1 VAL A 10 -19.420 2.671 14.651 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.906 0.970 12.899 1.00 0.00 C ATOM 0 H VAL A 10 -16.542 3.254 11.772 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.543 3.344 11.921 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.462 2.253 13.861 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -19.357 1.900 15.419 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -19.125 3.631 15.075 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -20.445 2.735 14.285 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.846 0.199 13.667 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.930 1.038 12.532 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.241 0.713 12.074 1.00 0.00 H new ATOM 163 N LEU A 11 -19.482 5.415 13.397 1.00 0.00 N ATOM 164 CA LEU A 11 -19.385 6.765 14.020 1.00 0.00 C ATOM 165 C LEU A 11 -20.045 6.735 15.400 1.00 0.00 C ATOM 166 O LEU A 11 -20.659 5.759 15.781 1.00 0.00 O ATOM 167 CB LEU A 11 -20.102 7.784 13.132 1.00 0.00 C ATOM 168 CG LEU A 11 -19.067 8.591 12.344 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.938 8.015 10.934 1.00 0.00 C ATOM 170 CD2 LEU A 11 -19.515 10.051 12.257 1.00 0.00 C ATOM 0 H LEU A 11 -20.431 5.060 13.277 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.337 7.047 14.125 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.779 7.273 12.447 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.710 8.451 13.743 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.103 8.536 12.850 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.201 8.589 10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.618 6.975 10.994 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.902 8.070 10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.778 10.625 11.696 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.479 10.106 11.752 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.608 10.464 13.262 1.00 0.00 H new ATOM 182 N PRO A 12 -19.916 7.833 16.158 1.00 0.00 N ATOM 183 CA PRO A 12 -20.502 7.943 17.501 1.00 0.00 C ATOM 184 C PRO A 12 -22.032 7.941 17.450 1.00 0.00 C ATOM 185 O PRO A 12 -22.695 7.612 18.415 1.00 0.00 O ATOM 186 CB PRO A 12 -19.991 9.296 18.001 1.00 0.00 C ATOM 187 CG PRO A 12 -19.707 10.064 16.756 1.00 0.00 C ATOM 188 CD PRO A 12 -19.193 9.057 15.771 1.00 0.00 C ATOM 0 HA PRO A 12 -20.226 7.107 18.143 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -20.735 9.799 18.618 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.095 9.182 18.612 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.607 10.553 16.383 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.970 10.847 16.937 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.409 9.348 14.743 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -18.113 8.931 15.846 1.00 0.00 H new ATOM 196 N ARG A 13 -22.595 8.301 16.331 1.00 0.00 N ATOM 197 CA ARG A 13 -24.081 8.317 16.214 1.00 0.00 C ATOM 198 C ARG A 13 -24.543 7.069 15.459 1.00 0.00 C ATOM 199 O ARG A 13 -25.654 6.607 15.624 1.00 0.00 O ATOM 200 CB ARG A 13 -24.519 9.567 15.449 1.00 0.00 C ATOM 201 CG ARG A 13 -24.189 10.811 16.277 1.00 0.00 C ATOM 202 CD ARG A 13 -24.627 12.064 15.516 1.00 0.00 C ATOM 203 NE ARG A 13 -24.139 13.275 16.234 1.00 0.00 N ATOM 204 CZ ARG A 13 -24.961 13.970 16.973 1.00 0.00 C ATOM 205 NH1 ARG A 13 -24.762 14.065 18.259 1.00 0.00 N ATOM 206 NH2 ARG A 13 -25.982 14.570 16.424 1.00 0.00 N ATOM 0 H ARG A 13 -22.091 8.585 15.491 1.00 0.00 H new ATOM 0 HA ARG A 13 -24.525 8.327 17.209 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -24.012 9.613 14.485 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.589 9.526 15.245 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -24.695 10.763 17.241 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -23.119 10.852 16.480 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.229 12.044 14.501 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.713 12.091 15.432 1.00 0.00 H new ATOM 0 HE ARG A 13 -23.164 13.561 16.148 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -23.964 13.596 18.688 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -25.405 14.608 18.836 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -26.137 14.496 15.419 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -26.625 15.113 17.000 1.00 0.00 H new ATOM 220 N ILE A 14 -23.696 6.519 14.631 1.00 0.00 N ATOM 221 CA ILE A 14 -24.085 5.301 13.866 1.00 0.00 C ATOM 222 C ILE A 14 -23.771 4.056 14.698 1.00 0.00 C ATOM 223 O ILE A 14 -24.586 3.164 14.831 1.00 0.00 O ATOM 224 CB ILE A 14 -23.299 5.249 12.554 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.683 6.444 11.679 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.628 3.950 11.815 1.00 0.00 C ATOM 227 CD1 ILE A 14 -22.660 6.600 10.551 1.00 0.00 C ATOM 0 H ILE A 14 -22.752 6.861 14.452 1.00 0.00 H new ATOM 0 HA ILE A 14 -25.153 5.334 13.648 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.231 5.286 12.769 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.680 6.298 11.263 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.718 7.352 12.280 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.069 3.912 10.880 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.354 3.098 12.437 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.696 3.914 11.601 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -22.933 7.451 9.927 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -21.671 6.765 10.977 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -22.647 5.695 9.944 1.00 0.00 H new ATOM 239 N GLY A 15 -22.594 3.987 15.259 1.00 0.00 N ATOM 240 CA GLY A 15 -22.228 2.798 16.080 1.00 0.00 C ATOM 241 C GLY A 15 -22.069 1.580 15.168 1.00 0.00 C ATOM 242 O GLY A 15 -22.101 1.689 13.959 1.00 0.00 O ATOM 0 H GLY A 15 -21.871 4.702 15.184 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.299 2.986 16.619 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.998 2.608 16.828 1.00 0.00 H new ATOM 246 N TYR A 16 -21.899 0.418 15.738 1.00 0.00 N ATOM 247 CA TYR A 16 -21.740 -0.805 14.901 1.00 0.00 C ATOM 248 C TYR A 16 -23.097 -1.492 14.738 1.00 0.00 C ATOM 249 O TYR A 16 -23.956 -1.401 15.592 1.00 0.00 O ATOM 250 CB TYR A 16 -20.761 -1.763 15.580 1.00 0.00 C ATOM 251 CG TYR A 16 -19.975 -2.507 14.529 1.00 0.00 C ATOM 252 CD1 TYR A 16 -20.611 -3.451 13.714 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.607 -2.251 14.369 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.879 -4.141 12.740 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.876 -2.942 13.396 1.00 0.00 C ATOM 256 CZ TYR A 16 -18.513 -3.886 12.581 1.00 0.00 C ATOM 257 OH TYR A 16 -17.792 -4.569 11.622 1.00 0.00 O ATOM 0 H TYR A 16 -21.863 0.263 16.746 1.00 0.00 H new ATOM 0 HA TYR A 16 -21.354 -0.527 13.920 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -20.085 -1.208 16.230 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -21.303 -2.468 16.211 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.666 -3.647 13.836 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -18.117 -1.521 14.996 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.369 -4.870 12.112 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.821 -2.747 13.274 1.00 0.00 H new ATOM 0 HH TYR A 16 -17.117 -3.974 11.235 1.00 0.00 H new ATOM 267 N LEU A 17 -23.298 -2.177 13.646 1.00 0.00 N ATOM 268 CA LEU A 17 -24.602 -2.866 13.428 1.00 0.00 C ATOM 269 C LEU A 17 -24.391 -4.383 13.441 1.00 0.00 C ATOM 270 O LEU A 17 -23.871 -4.955 12.504 1.00 0.00 O ATOM 271 CB LEU A 17 -25.180 -2.441 12.077 1.00 0.00 C ATOM 272 CG LEU A 17 -26.486 -3.193 11.818 1.00 0.00 C ATOM 273 CD1 LEU A 17 -27.602 -2.588 12.671 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.856 -3.076 10.338 1.00 0.00 C ATOM 0 H LEU A 17 -22.616 -2.290 12.896 1.00 0.00 H new ATOM 0 HA LEU A 17 -25.295 -2.592 14.224 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -25.360 -1.366 12.069 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.464 -2.650 11.282 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.358 -4.243 12.080 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -28.533 -3.124 12.486 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -27.339 -2.670 13.726 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -27.731 -1.538 12.410 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -27.787 -3.612 10.152 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.984 -2.025 10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.061 -3.507 9.729 1.00 0.00 H new ATOM 286 N CYS A 18 -24.797 -5.038 14.495 1.00 0.00 N ATOM 287 CA CYS A 18 -24.624 -6.518 14.565 1.00 0.00 C ATOM 288 C CYS A 18 -25.980 -7.176 14.826 1.00 0.00 C ATOM 289 O CYS A 18 -26.877 -6.572 15.380 1.00 0.00 O ATOM 290 CB CYS A 18 -23.662 -6.870 15.702 1.00 0.00 C ATOM 291 SG CYS A 18 -22.121 -5.946 15.497 1.00 0.00 S ATOM 0 H CYS A 18 -25.240 -4.613 15.310 1.00 0.00 H new ATOM 0 HA CYS A 18 -24.217 -6.880 13.621 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -24.116 -6.631 16.664 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.459 -7.941 15.702 1.00 0.00 H new ATOM 296 N PRO A 19 -26.126 -8.445 14.418 1.00 0.00 N ATOM 297 CA PRO A 19 -27.369 -9.198 14.607 1.00 0.00 C ATOM 298 C PRO A 19 -27.573 -9.585 16.075 1.00 0.00 C ATOM 299 O PRO A 19 -26.694 -9.417 16.896 1.00 0.00 O ATOM 300 CB PRO A 19 -27.162 -10.451 13.757 1.00 0.00 C ATOM 301 CG PRO A 19 -25.680 -10.618 13.678 1.00 0.00 C ATOM 302 CD PRO A 19 -25.086 -9.238 13.742 1.00 0.00 C ATOM 0 HA PRO A 19 -28.249 -8.620 14.324 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.634 -11.321 14.213 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.600 -10.334 12.766 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -25.316 -11.235 14.500 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -25.396 -11.119 12.753 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -24.150 -9.230 14.300 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.868 -8.849 12.748 1.00 0.00 H new ATOM 310 N LYS A 20 -28.726 -10.096 16.411 1.00 0.00 N ATOM 311 CA LYS A 20 -28.976 -10.488 17.828 1.00 0.00 C ATOM 312 C LYS A 20 -28.483 -11.916 18.057 1.00 0.00 C ATOM 313 O LYS A 20 -28.009 -12.257 19.123 1.00 0.00 O ATOM 314 CB LYS A 20 -30.476 -10.413 18.121 1.00 0.00 C ATOM 315 CG LYS A 20 -30.704 -10.489 19.633 1.00 0.00 C ATOM 316 CD LYS A 20 -32.197 -10.337 19.931 1.00 0.00 C ATOM 317 CE LYS A 20 -32.421 -10.385 21.444 1.00 0.00 C ATOM 318 NZ LYS A 20 -32.161 -9.039 22.028 1.00 0.00 N ATOM 0 H LYS A 20 -29.502 -10.259 15.770 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.442 -9.809 18.492 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.889 -9.485 17.726 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.996 -11.231 17.622 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.340 -11.441 20.019 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.140 -9.704 20.137 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.565 -9.394 19.528 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.759 -11.133 19.444 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -33.443 -10.696 21.661 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -31.760 -11.124 21.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -32.313 -9.071 23.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -31.179 -8.759 21.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -32.809 -8.345 21.604 1.00 0.00 H new ATOM 332 N ASP A 21 -28.590 -12.753 17.065 1.00 0.00 N ATOM 333 CA ASP A 21 -28.127 -14.161 17.223 1.00 0.00 C ATOM 334 C ASP A 21 -26.673 -14.167 17.698 1.00 0.00 C ATOM 335 O ASP A 21 -25.834 -13.463 17.172 1.00 0.00 O ATOM 336 CB ASP A 21 -28.224 -14.881 15.879 1.00 0.00 C ATOM 337 CG ASP A 21 -29.614 -14.655 15.279 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.499 -14.256 16.018 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.769 -14.884 14.090 1.00 0.00 O ATOM 0 H ASP A 21 -28.978 -12.524 16.150 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.753 -14.671 17.956 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.458 -14.509 15.199 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -28.042 -15.948 16.012 1.00 0.00 H new ATOM 344 N LEU A 22 -26.366 -14.957 18.690 1.00 0.00 N ATOM 345 CA LEU A 22 -24.966 -15.005 19.196 1.00 0.00 C ATOM 346 C LEU A 22 -24.203 -16.118 18.476 1.00 0.00 C ATOM 347 O LEU A 22 -24.486 -17.288 18.641 1.00 0.00 O ATOM 348 CB LEU A 22 -24.974 -15.284 20.700 1.00 0.00 C ATOM 349 CG LEU A 22 -23.534 -15.427 21.199 1.00 0.00 C ATOM 350 CD1 LEU A 22 -22.756 -14.149 20.884 1.00 0.00 C ATOM 351 CD2 LEU A 22 -23.539 -15.661 22.711 1.00 0.00 C ATOM 0 H LEU A 22 -27.024 -15.571 19.171 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.479 -14.048 19.008 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.475 -14.473 21.229 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -25.535 -16.195 20.909 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.060 -16.273 20.702 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -21.731 -14.250 21.239 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.752 -13.982 19.807 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.230 -13.303 21.381 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.514 -15.763 23.067 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.013 -14.815 23.209 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.093 -16.572 22.936 1.00 0.00 H new ATOM 363 N LYS A 23 -23.234 -15.761 17.679 1.00 0.00 N ATOM 364 CA LYS A 23 -22.450 -16.795 16.947 1.00 0.00 C ATOM 365 C LYS A 23 -20.983 -16.705 17.369 1.00 0.00 C ATOM 366 O LYS A 23 -20.253 -15.842 16.924 1.00 0.00 O ATOM 367 CB LYS A 23 -22.569 -16.554 15.442 1.00 0.00 C ATOM 368 CG LYS A 23 -23.702 -17.409 14.879 1.00 0.00 C ATOM 369 CD LYS A 23 -23.214 -18.848 14.700 1.00 0.00 C ATOM 370 CE LYS A 23 -24.106 -19.563 13.682 1.00 0.00 C ATOM 371 NZ LYS A 23 -24.406 -20.939 14.168 1.00 0.00 N ATOM 0 H LYS A 23 -22.951 -14.797 17.503 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.837 -17.786 17.183 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.762 -15.499 15.246 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.630 -16.803 14.947 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.559 -17.385 15.552 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.036 -17.005 13.923 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.178 -18.853 14.360 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.239 -19.374 15.655 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -25.032 -19.006 13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.608 -19.608 12.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -25.012 -21.427 13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -23.518 -21.468 14.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.898 -20.885 15.083 1.00 0.00 H new ATOM 385 N PRO A 24 -20.548 -17.615 18.250 1.00 0.00 N ATOM 386 CA PRO A 24 -19.167 -17.642 18.752 1.00 0.00 C ATOM 387 C PRO A 24 -18.161 -17.959 17.646 1.00 0.00 C ATOM 388 O PRO A 24 -18.195 -19.013 17.047 1.00 0.00 O ATOM 389 CB PRO A 24 -19.186 -18.768 19.787 1.00 0.00 C ATOM 390 CG PRO A 24 -20.320 -19.636 19.365 1.00 0.00 C ATOM 391 CD PRO A 24 -21.362 -18.701 18.824 1.00 0.00 C ATOM 0 HA PRO A 24 -18.861 -16.678 19.157 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.245 -19.318 19.794 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.336 -18.380 20.795 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.004 -20.353 18.607 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.708 -20.211 20.206 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -21.987 -19.181 18.071 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.028 -18.339 19.607 1.00 0.00 H new ATOM 399 N VAL A 25 -17.264 -17.053 17.370 1.00 0.00 N ATOM 400 CA VAL A 25 -16.255 -17.309 16.303 1.00 0.00 C ATOM 401 C VAL A 25 -14.862 -17.393 16.925 1.00 0.00 C ATOM 402 O VAL A 25 -14.607 -16.844 17.979 1.00 0.00 O ATOM 403 CB VAL A 25 -16.266 -16.165 15.288 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.690 -15.924 14.791 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.734 -14.893 15.953 1.00 0.00 C ATOM 0 H VAL A 25 -17.186 -16.149 17.835 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.502 -18.247 15.805 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.633 -16.429 14.441 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.690 -15.108 14.068 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.068 -16.829 14.316 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.330 -15.663 15.634 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.741 -14.076 15.232 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.367 -14.634 16.801 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.715 -15.063 16.300 1.00 0.00 H new ATOM 415 N CYS A 26 -13.954 -18.062 16.272 1.00 0.00 N ATOM 416 CA CYS A 26 -12.571 -18.165 16.815 1.00 0.00 C ATOM 417 C CYS A 26 -11.705 -17.091 16.155 1.00 0.00 C ATOM 418 O CYS A 26 -11.746 -16.904 14.957 1.00 0.00 O ATOM 419 CB CYS A 26 -11.996 -19.551 16.509 1.00 0.00 C ATOM 420 SG CYS A 26 -10.305 -19.656 17.143 1.00 0.00 S ATOM 0 H CYS A 26 -14.109 -18.542 15.386 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.585 -18.020 17.895 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.616 -20.323 16.966 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.004 -19.731 15.434 1.00 0.00 H new ATOM 425 N GLY A 27 -10.930 -16.377 16.921 1.00 0.00 N ATOM 426 CA GLY A 27 -10.074 -15.311 16.327 1.00 0.00 C ATOM 427 C GLY A 27 -8.706 -15.891 15.963 1.00 0.00 C ATOM 428 O GLY A 27 -8.120 -16.643 16.715 1.00 0.00 O ATOM 0 H GLY A 27 -10.851 -16.484 17.932 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.553 -14.899 15.439 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.955 -14.490 17.034 1.00 0.00 H new ATOM 432 N ASP A 28 -8.193 -15.544 14.814 1.00 0.00 N ATOM 433 CA ASP A 28 -6.861 -16.073 14.403 1.00 0.00 C ATOM 434 C ASP A 28 -5.781 -15.519 15.336 1.00 0.00 C ATOM 435 O ASP A 28 -4.642 -15.940 15.300 1.00 0.00 O ATOM 436 CB ASP A 28 -6.562 -15.644 12.964 1.00 0.00 C ATOM 437 CG ASP A 28 -6.623 -14.119 12.862 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.799 -13.483 13.888 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.494 -13.613 11.759 1.00 0.00 O ATOM 0 H ASP A 28 -8.638 -14.918 14.143 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.869 -17.161 14.463 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.576 -16.000 12.665 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.284 -16.094 12.282 1.00 0.00 H new ATOM 444 N ASP A 29 -6.128 -14.581 16.173 1.00 0.00 N ATOM 445 CA ASP A 29 -5.121 -14.005 17.107 1.00 0.00 C ATOM 446 C ASP A 29 -5.046 -14.868 18.369 1.00 0.00 C ATOM 447 O ASP A 29 -4.410 -14.509 19.340 1.00 0.00 O ATOM 448 CB ASP A 29 -5.533 -12.582 17.487 1.00 0.00 C ATOM 449 CG ASP A 29 -6.899 -12.615 18.176 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.439 -13.699 18.328 1.00 0.00 O ATOM 451 OD2 ASP A 29 -7.382 -11.557 18.541 1.00 0.00 O ATOM 0 H ASP A 29 -7.066 -14.188 16.250 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.145 -13.983 16.622 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.789 -12.141 18.151 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.577 -11.955 16.597 1.00 0.00 H new ATOM 456 N GLY A 30 -5.690 -16.003 18.363 1.00 0.00 N ATOM 457 CA GLY A 30 -5.656 -16.885 19.562 1.00 0.00 C ATOM 458 C GLY A 30 -6.758 -16.463 20.535 1.00 0.00 C ATOM 459 O GLY A 30 -6.729 -16.791 21.704 1.00 0.00 O ATOM 0 H GLY A 30 -6.238 -16.357 17.579 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.796 -17.925 19.266 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.682 -16.820 20.048 1.00 0.00 H new ATOM 463 N GLN A 31 -7.734 -15.736 20.060 1.00 0.00 N ATOM 464 CA GLN A 31 -8.837 -15.292 20.958 1.00 0.00 C ATOM 465 C GLN A 31 -10.181 -15.712 20.358 1.00 0.00 C ATOM 466 O GLN A 31 -10.244 -16.249 19.271 1.00 0.00 O ATOM 467 CB GLN A 31 -8.797 -13.770 21.102 1.00 0.00 C ATOM 468 CG GLN A 31 -7.745 -13.384 22.144 1.00 0.00 C ATOM 469 CD GLN A 31 -7.495 -11.877 22.084 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.180 -11.163 21.378 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.535 -11.358 22.799 1.00 0.00 N ATOM 0 H GLN A 31 -7.814 -15.431 19.090 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.715 -15.752 21.938 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.561 -13.309 20.143 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.776 -13.397 21.402 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.084 -13.668 23.140 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.817 -13.925 21.957 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.960 -11.957 23.392 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.360 -10.354 22.765 1.00 0.00 H new ATOM 480 N THR A 32 -11.256 -15.470 21.057 1.00 0.00 N ATOM 481 CA THR A 32 -12.593 -15.856 20.526 1.00 0.00 C ATOM 482 C THR A 32 -13.580 -14.708 20.748 1.00 0.00 C ATOM 483 O THR A 32 -13.583 -14.071 21.782 1.00 0.00 O ATOM 484 CB THR A 32 -13.090 -17.106 21.254 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.082 -18.105 21.219 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.353 -17.630 20.568 1.00 0.00 C ATOM 0 H THR A 32 -11.266 -15.022 21.973 1.00 0.00 H new ATOM 0 HA THR A 32 -12.514 -16.066 19.459 1.00 0.00 H new ATOM 0 HB THR A 32 -13.319 -16.856 22.290 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.673 -18.126 20.329 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.706 -18.521 21.087 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.127 -16.863 20.596 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.127 -17.880 19.531 1.00 0.00 H new ATOM 494 N TYR A 33 -14.419 -14.443 19.785 1.00 0.00 N ATOM 495 CA TYR A 33 -15.409 -13.339 19.939 1.00 0.00 C ATOM 496 C TYR A 33 -16.818 -13.928 19.991 1.00 0.00 C ATOM 497 O TYR A 33 -17.194 -14.738 19.167 1.00 0.00 O ATOM 498 CB TYR A 33 -15.289 -12.382 18.753 1.00 0.00 C ATOM 499 CG TYR A 33 -13.855 -11.923 18.631 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.945 -12.666 17.870 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.435 -10.758 19.285 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.615 -12.242 17.762 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.105 -10.335 19.177 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.195 -11.077 18.415 1.00 0.00 C ATOM 505 OH TYR A 33 -9.883 -10.662 18.311 1.00 0.00 O ATOM 0 H TYR A 33 -14.462 -14.943 18.897 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.213 -12.793 20.862 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.604 -12.879 17.835 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.947 -11.525 18.893 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.268 -13.565 17.367 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.137 -10.186 19.873 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.912 -12.814 17.174 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.781 -9.437 19.681 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.286 -11.415 18.503 1.00 0.00 H new ATOM 515 N ASN A 34 -17.597 -13.535 20.959 1.00 0.00 N ATOM 516 CA ASN A 34 -18.976 -14.080 21.069 1.00 0.00 C ATOM 517 C ASN A 34 -19.701 -13.924 19.729 1.00 0.00 C ATOM 518 O ASN A 34 -19.798 -14.855 18.959 1.00 0.00 O ATOM 519 CB ASN A 34 -19.736 -13.339 22.174 1.00 0.00 C ATOM 520 CG ASN A 34 -18.812 -13.140 23.377 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.214 -14.081 23.859 1.00 0.00 O ATOM 522 ND2 ASN A 34 -18.672 -11.947 23.883 1.00 0.00 N ATOM 0 H ASN A 34 -17.338 -12.860 21.678 1.00 0.00 H new ATOM 0 HA ASN A 34 -18.929 -15.139 21.322 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.086 -12.374 21.806 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.618 -13.907 22.469 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.059 -11.802 24.685 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.175 -11.158 23.477 1.00 0.00 H new ATOM 529 N ASN A 35 -20.212 -12.761 19.443 1.00 0.00 N ATOM 530 CA ASN A 35 -20.927 -12.557 18.150 1.00 0.00 C ATOM 531 C ASN A 35 -19.908 -12.281 17.041 1.00 0.00 C ATOM 532 O ASN A 35 -18.886 -11.664 17.269 1.00 0.00 O ATOM 533 CB ASN A 35 -21.886 -11.370 18.294 1.00 0.00 C ATOM 534 CG ASN A 35 -22.518 -11.036 16.942 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.828 -10.723 15.993 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.817 -11.089 16.816 1.00 0.00 N ATOM 0 H ASN A 35 -20.167 -11.941 20.048 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.495 -13.451 17.891 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.664 -11.608 19.019 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.348 -10.503 18.677 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.252 -10.867 15.920 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.396 -11.352 17.613 1.00 0.00 H new ATOM 543 N PRO A 36 -20.194 -12.743 15.813 1.00 0.00 N ATOM 544 CA PRO A 36 -19.303 -12.540 14.662 1.00 0.00 C ATOM 545 C PRO A 36 -19.157 -11.057 14.319 1.00 0.00 C ATOM 546 O PRO A 36 -18.061 -10.544 14.202 1.00 0.00 O ATOM 547 CB PRO A 36 -20.006 -13.292 13.529 1.00 0.00 C ATOM 548 CG PRO A 36 -21.436 -13.327 13.948 1.00 0.00 C ATOM 549 CD PRO A 36 -21.403 -13.495 15.438 1.00 0.00 C ATOM 0 HA PRO A 36 -18.290 -12.896 14.851 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.883 -12.780 12.574 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.602 -14.297 13.407 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.952 -12.409 13.666 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.967 -14.150 13.470 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.297 -13.090 15.913 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.335 -14.544 15.727 1.00 0.00 H new ATOM 557 N CYS A 37 -20.248 -10.354 14.178 1.00 0.00 N ATOM 558 CA CYS A 37 -20.149 -8.903 13.868 1.00 0.00 C ATOM 559 C CYS A 37 -19.427 -8.221 15.028 1.00 0.00 C ATOM 560 O CYS A 37 -18.761 -7.217 14.863 1.00 0.00 O ATOM 561 CB CYS A 37 -21.553 -8.313 13.709 1.00 0.00 C ATOM 562 SG CYS A 37 -21.452 -6.507 13.677 1.00 0.00 S ATOM 0 H CYS A 37 -21.196 -10.720 14.264 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.600 -8.748 12.939 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -22.010 -8.678 12.789 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -22.190 -8.637 14.532 1.00 0.00 H new ATOM 567 N MET A 38 -19.547 -8.777 16.202 1.00 0.00 N ATOM 568 CA MET A 38 -18.865 -8.193 17.389 1.00 0.00 C ATOM 569 C MET A 38 -17.352 -8.380 17.240 1.00 0.00 C ATOM 570 O MET A 38 -16.573 -7.858 18.013 1.00 0.00 O ATOM 571 CB MET A 38 -19.346 -8.912 18.651 1.00 0.00 C ATOM 572 CG MET A 38 -20.581 -8.197 19.206 1.00 0.00 C ATOM 573 SD MET A 38 -20.116 -6.544 19.778 1.00 0.00 S ATOM 574 CE MET A 38 -18.954 -7.068 21.064 1.00 0.00 C ATOM 0 H MET A 38 -20.093 -9.618 16.390 1.00 0.00 H new ATOM 0 HA MET A 38 -19.097 -7.131 17.465 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.586 -9.950 18.422 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.553 -8.926 19.399 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.349 -8.124 18.436 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.008 -8.771 20.028 1.00 0.00 H new ATOM 0 HE1 MET A 38 -18.985 -6.360 21.892 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.231 -8.059 21.423 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.946 -7.101 20.652 1.00 0.00 H new ATOM 584 N LEU A 39 -16.931 -9.118 16.247 1.00 0.00 N ATOM 585 CA LEU A 39 -15.473 -9.337 16.042 1.00 0.00 C ATOM 586 C LEU A 39 -14.854 -8.057 15.486 1.00 0.00 C ATOM 587 O LEU A 39 -13.982 -7.464 16.090 1.00 0.00 O ATOM 588 CB LEU A 39 -15.273 -10.482 15.045 1.00 0.00 C ATOM 589 CG LEU A 39 -13.825 -10.495 14.553 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.889 -10.770 15.731 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.656 -11.591 13.500 1.00 0.00 C ATOM 0 H LEU A 39 -17.537 -9.579 15.568 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.995 -9.593 16.988 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.514 -11.434 15.518 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.952 -10.364 14.201 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.581 -9.528 14.114 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.857 -10.779 15.381 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.010 -9.989 16.482 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.132 -11.737 16.171 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.624 -11.602 13.148 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.900 -12.558 13.939 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.323 -11.395 12.661 1.00 0.00 H new ATOM 603 N CYS A 40 -15.308 -7.619 14.346 1.00 0.00 N ATOM 604 CA CYS A 40 -14.751 -6.366 13.766 1.00 0.00 C ATOM 605 C CYS A 40 -14.840 -5.265 14.822 1.00 0.00 C ATOM 606 O CYS A 40 -14.083 -4.317 14.813 1.00 0.00 O ATOM 607 CB CYS A 40 -15.557 -5.969 12.527 1.00 0.00 C ATOM 608 SG CYS A 40 -15.101 -4.292 12.021 1.00 0.00 S ATOM 0 H CYS A 40 -16.036 -8.071 13.793 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.712 -6.516 13.472 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.364 -6.670 11.715 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.624 -6.017 12.744 1.00 0.00 H new ATOM 613 N HIS A 41 -15.755 -5.398 15.745 1.00 0.00 N ATOM 614 CA HIS A 41 -15.889 -4.375 16.816 1.00 0.00 C ATOM 615 C HIS A 41 -14.621 -4.396 17.667 1.00 0.00 C ATOM 616 O HIS A 41 -13.901 -3.421 17.752 1.00 0.00 O ATOM 617 CB HIS A 41 -17.096 -4.709 17.692 1.00 0.00 C ATOM 618 CG HIS A 41 -17.552 -3.473 18.417 1.00 0.00 C ATOM 619 ND1 HIS A 41 -18.031 -2.357 17.747 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.607 -3.159 19.753 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.351 -1.435 18.673 1.00 0.00 C ATOM 622 NE2 HIS A 41 -18.112 -1.873 19.912 1.00 0.00 N ATOM 0 H HIS A 41 -16.415 -6.173 15.801 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.029 -3.388 16.376 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.906 -5.102 17.078 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.833 -5.487 18.409 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -18.124 -2.254 16.736 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.304 -3.812 20.558 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.752 -0.459 18.443 1.00 0.00 H new ATOM 630 N GLU A 42 -14.333 -5.509 18.282 1.00 0.00 N ATOM 631 CA GLU A 42 -13.100 -5.598 19.109 1.00 0.00 C ATOM 632 C GLU A 42 -11.897 -5.332 18.207 1.00 0.00 C ATOM 633 O GLU A 42 -10.833 -4.958 18.660 1.00 0.00 O ATOM 634 CB GLU A 42 -12.987 -7.000 19.712 1.00 0.00 C ATOM 635 CG GLU A 42 -14.065 -7.182 20.781 1.00 0.00 C ATOM 636 CD GLU A 42 -13.781 -8.455 21.581 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.656 -8.924 21.530 1.00 0.00 O ATOM 638 OE2 GLU A 42 -14.694 -8.939 22.230 1.00 0.00 O ATOM 0 H GLU A 42 -14.897 -6.358 18.247 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.135 -4.866 19.916 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.102 -7.753 18.933 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.998 -7.141 20.149 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.082 -6.318 21.446 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.048 -7.245 20.314 1.00 0.00 H new ATOM 645 N ASN A 43 -12.068 -5.517 16.927 1.00 0.00 N ATOM 646 CA ASN A 43 -10.950 -5.270 15.977 1.00 0.00 C ATOM 647 C ASN A 43 -10.820 -3.766 15.748 1.00 0.00 C ATOM 648 O ASN A 43 -9.757 -3.262 15.444 1.00 0.00 O ATOM 649 CB ASN A 43 -11.245 -5.969 14.649 1.00 0.00 C ATOM 650 CG ASN A 43 -11.200 -7.485 14.852 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.646 -7.964 15.822 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.762 -8.266 13.971 1.00 0.00 N ATOM 0 H ASN A 43 -12.939 -5.830 16.498 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.020 -5.662 16.388 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.225 -5.670 14.278 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.514 -5.670 13.898 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.736 -9.278 14.096 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.227 -7.865 13.157 1.00 0.00 H new ATOM 659 N LEU A 44 -11.894 -3.042 15.898 1.00 0.00 N ATOM 660 CA LEU A 44 -11.832 -1.568 15.702 1.00 0.00 C ATOM 661 C LEU A 44 -11.004 -0.957 16.832 1.00 0.00 C ATOM 662 O LEU A 44 -10.264 -0.013 16.637 1.00 0.00 O ATOM 663 CB LEU A 44 -13.248 -0.990 15.735 1.00 0.00 C ATOM 664 CG LEU A 44 -13.246 0.409 15.115 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.377 1.343 15.959 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.686 0.335 13.693 1.00 0.00 C ATOM 0 H LEU A 44 -12.813 -3.408 16.148 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.373 -1.339 14.740 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.930 -1.640 15.187 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.609 -0.943 16.763 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.265 0.794 15.085 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.377 2.339 15.516 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.777 1.396 16.971 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.357 0.960 15.992 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.684 1.331 13.250 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.667 -0.051 13.723 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.307 -0.328 13.091 1.00 0.00 H new ATOM 678 N ILE A 45 -11.122 -1.497 18.014 1.00 0.00 N ATOM 679 CA ILE A 45 -10.342 -0.961 19.166 1.00 0.00 C ATOM 680 C ILE A 45 -8.895 -1.448 19.063 1.00 0.00 C ATOM 681 O ILE A 45 -7.962 -0.708 19.302 1.00 0.00 O ATOM 682 CB ILE A 45 -10.952 -1.455 20.483 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.456 -1.689 20.305 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.725 -0.403 21.572 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.114 -1.861 21.676 1.00 0.00 C ATOM 0 H ILE A 45 -11.727 -2.289 18.232 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.369 0.128 19.145 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.476 -2.392 20.772 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.905 -0.848 19.778 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.627 -2.576 19.695 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.158 -0.751 22.510 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.655 -0.241 21.704 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.200 0.533 21.278 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.184 -2.027 21.548 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.672 -2.717 22.187 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.955 -0.962 22.271 1.00 0.00 H new ATOM 697 N ARG A 46 -8.703 -2.689 18.707 1.00 0.00 N ATOM 698 CA ARG A 46 -7.317 -3.224 18.586 1.00 0.00 C ATOM 699 C ARG A 46 -6.722 -2.788 17.247 1.00 0.00 C ATOM 700 O ARG A 46 -5.547 -2.500 17.141 1.00 0.00 O ATOM 701 CB ARG A 46 -7.353 -4.753 18.657 1.00 0.00 C ATOM 702 CG ARG A 46 -7.797 -5.188 20.056 1.00 0.00 C ATOM 703 CD ARG A 46 -7.671 -6.708 20.179 1.00 0.00 C ATOM 704 NE ARG A 46 -8.354 -7.164 21.422 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.699 -7.196 22.550 1.00 0.00 C ATOM 706 NH1 ARG A 46 -7.486 -8.336 23.149 1.00 0.00 N ATOM 707 NH2 ARG A 46 -7.255 -6.089 23.079 1.00 0.00 N ATOM 0 H ARG A 46 -9.446 -3.355 18.495 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.703 -2.838 19.400 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.039 -5.147 17.907 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.368 -5.162 18.433 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.184 -4.699 20.813 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.828 -4.882 20.234 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.115 -7.192 19.309 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.620 -6.996 20.202 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.332 -7.451 21.391 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.832 -9.202 22.735 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.974 -8.361 24.031 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.420 -5.198 22.611 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.743 -6.115 23.961 1.00 0.00 H new ATOM 721 N GLN A 47 -7.528 -2.737 16.224 1.00 0.00 N ATOM 722 CA GLN A 47 -7.020 -2.317 14.887 1.00 0.00 C ATOM 723 C GLN A 47 -5.918 -3.274 14.431 1.00 0.00 C ATOM 724 O GLN A 47 -4.965 -2.878 13.790 1.00 0.00 O ATOM 725 CB GLN A 47 -6.459 -0.897 14.977 1.00 0.00 C ATOM 726 CG GLN A 47 -7.579 0.071 15.367 1.00 0.00 C ATOM 727 CD GLN A 47 -7.068 1.509 15.272 1.00 0.00 C ATOM 728 OE1 GLN A 47 -6.979 2.065 14.195 1.00 0.00 O ATOM 729 NE2 GLN A 47 -6.725 2.141 16.361 1.00 0.00 N ATOM 0 H GLN A 47 -8.521 -2.969 16.256 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.838 -2.340 14.167 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.657 -0.858 15.714 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.027 -0.604 14.020 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.437 -0.065 14.709 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.919 -0.139 16.381 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.799 1.676 17.266 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.383 3.100 16.308 1.00 0.00 H new ATOM 738 N THR A 48 -6.040 -4.533 14.752 1.00 0.00 N ATOM 739 CA THR A 48 -5.000 -5.512 14.331 1.00 0.00 C ATOM 740 C THR A 48 -5.517 -6.323 13.141 1.00 0.00 C ATOM 741 O THR A 48 -4.932 -7.313 12.750 1.00 0.00 O ATOM 742 CB THR A 48 -4.685 -6.457 15.493 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.806 -7.294 15.738 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.371 -5.639 16.747 1.00 0.00 C ATOM 0 H THR A 48 -6.815 -4.925 15.287 1.00 0.00 H new ATOM 0 HA THR A 48 -4.095 -4.978 14.043 1.00 0.00 H new ATOM 0 HB THR A 48 -3.822 -7.072 15.238 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.605 -7.901 16.481 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.147 -6.313 17.574 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.510 -4.998 16.557 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.232 -5.023 17.004 1.00 0.00 H new ATOM 752 N ASN A 49 -6.610 -5.910 12.561 1.00 0.00 N ATOM 753 CA ASN A 49 -7.164 -6.657 11.396 1.00 0.00 C ATOM 754 C ASN A 49 -7.314 -8.134 11.762 1.00 0.00 C ATOM 755 O ASN A 49 -6.810 -9.006 11.081 1.00 0.00 O ATOM 756 CB ASN A 49 -6.213 -6.521 10.205 1.00 0.00 C ATOM 757 CG ASN A 49 -6.022 -5.042 9.868 1.00 0.00 C ATOM 758 OD1 ASN A 49 -6.844 -4.215 10.213 1.00 0.00 O ATOM 759 ND2 ASN A 49 -4.964 -4.670 9.202 1.00 0.00 N ATOM 0 H ASN A 49 -7.144 -5.088 12.843 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.139 -6.247 11.132 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.252 -6.978 10.440 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.616 -7.052 9.342 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.827 -3.686 8.971 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.274 -5.363 8.912 1.00 0.00 H new ATOM 766 N THR A 50 -8.004 -8.425 12.831 1.00 0.00 N ATOM 767 CA THR A 50 -8.183 -9.848 13.235 1.00 0.00 C ATOM 768 C THR A 50 -9.286 -10.484 12.390 1.00 0.00 C ATOM 769 O THR A 50 -10.323 -9.896 12.158 1.00 0.00 O ATOM 770 CB THR A 50 -8.578 -9.919 14.712 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.619 -9.219 15.493 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.636 -11.383 15.159 1.00 0.00 C ATOM 0 H THR A 50 -8.451 -7.740 13.441 1.00 0.00 H new ATOM 0 HA THR A 50 -7.247 -10.384 13.082 1.00 0.00 H new ATOM 0 HB THR A 50 -9.558 -9.462 14.847 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.043 -8.688 14.905 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.917 -11.431 16.211 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.374 -11.917 14.561 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.658 -11.844 15.024 1.00 0.00 H new ATOM 780 N HIS A 51 -9.073 -11.687 11.938 1.00 0.00 N ATOM 781 CA HIS A 51 -10.111 -12.368 11.118 1.00 0.00 C ATOM 782 C HIS A 51 -10.616 -13.595 11.876 1.00 0.00 C ATOM 783 O HIS A 51 -10.061 -13.981 12.886 1.00 0.00 O ATOM 784 CB HIS A 51 -9.502 -12.805 9.784 1.00 0.00 C ATOM 785 CG HIS A 51 -8.797 -11.640 9.146 1.00 0.00 C ATOM 786 ND1 HIS A 51 -7.455 -11.377 9.368 1.00 0.00 N ATOM 787 CD2 HIS A 51 -9.235 -10.659 8.291 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.134 -10.278 8.660 1.00 0.00 C ATOM 789 NE2 HIS A 51 -8.183 -9.801 7.985 1.00 0.00 N ATOM 0 H HIS A 51 -8.224 -12.228 12.101 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.939 -11.685 10.928 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.801 -13.624 9.944 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.283 -13.178 9.121 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.825 -11.918 9.960 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -10.243 -10.567 7.913 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.149 -9.836 8.640 1.00 0.00 H new ATOM 797 N ILE A 52 -11.661 -14.213 11.402 1.00 0.00 N ATOM 798 CA ILE A 52 -12.186 -15.415 12.107 1.00 0.00 C ATOM 799 C ILE A 52 -11.332 -16.628 11.742 1.00 0.00 C ATOM 800 O ILE A 52 -11.137 -16.939 10.583 1.00 0.00 O ATOM 801 CB ILE A 52 -13.634 -15.667 11.691 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.470 -14.418 11.977 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.182 -16.850 12.491 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.943 -14.717 11.703 1.00 0.00 C ATOM 0 H ILE A 52 -12.172 -13.940 10.562 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.146 -15.249 13.184 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.681 -15.893 10.626 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.338 -14.108 13.014 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.133 -13.591 11.352 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.216 -17.038 12.201 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.581 -17.736 12.287 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.140 -16.620 13.556 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.539 -13.827 11.907 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.068 -15.006 10.659 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.275 -15.531 12.347 1.00 0.00 H new ATOM 816 N ARG A 53 -10.820 -17.310 12.724 1.00 0.00 N ATOM 817 CA ARG A 53 -9.974 -18.504 12.449 1.00 0.00 C ATOM 818 C ARG A 53 -10.869 -19.712 12.181 1.00 0.00 C ATOM 819 O ARG A 53 -10.608 -20.510 11.302 1.00 0.00 O ATOM 820 CB ARG A 53 -9.090 -18.783 13.666 1.00 0.00 C ATOM 821 CG ARG A 53 -8.306 -20.074 13.443 1.00 0.00 C ATOM 822 CD ARG A 53 -7.429 -20.358 14.665 1.00 0.00 C ATOM 823 NE ARG A 53 -6.540 -21.518 14.377 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.229 -22.355 15.329 1.00 0.00 C ATOM 825 NH1 ARG A 53 -7.168 -23.019 15.947 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.980 -22.528 15.662 1.00 0.00 N ATOM 0 H ARG A 53 -10.951 -17.092 13.712 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.349 -18.318 11.576 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.404 -17.952 13.828 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.704 -18.869 14.562 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.992 -20.904 13.274 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.687 -19.986 12.550 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.832 -19.480 14.910 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.053 -20.571 15.533 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.174 -21.658 13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.145 -22.884 15.686 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.925 -23.673 16.691 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.247 -22.009 15.179 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.736 -23.182 16.406 1.00 0.00 H new ATOM 840 N SER A 54 -11.923 -19.851 12.932 1.00 0.00 N ATOM 841 CA SER A 54 -12.840 -21.005 12.727 1.00 0.00 C ATOM 842 C SER A 54 -14.206 -20.675 13.326 1.00 0.00 C ATOM 843 O SER A 54 -14.314 -19.924 14.275 1.00 0.00 O ATOM 844 CB SER A 54 -12.265 -22.244 13.415 1.00 0.00 C ATOM 845 OG SER A 54 -12.614 -23.402 12.672 1.00 0.00 O ATOM 0 H SER A 54 -12.190 -19.213 13.682 1.00 0.00 H new ATOM 0 HA SER A 54 -12.947 -21.202 11.660 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.181 -22.161 13.491 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.651 -22.321 14.431 1.00 0.00 H new ATOM 0 HG SER A 54 -12.244 -24.196 13.111 1.00 0.00 H new ATOM 851 N THR A 55 -15.252 -21.229 12.780 1.00 0.00 N ATOM 852 CA THR A 55 -16.610 -20.941 13.321 1.00 0.00 C ATOM 853 C THR A 55 -16.761 -21.593 14.696 1.00 0.00 C ATOM 854 O THR A 55 -16.329 -22.706 14.921 1.00 0.00 O ATOM 855 CB THR A 55 -17.668 -21.501 12.368 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.640 -22.921 12.413 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.375 -21.028 10.944 1.00 0.00 C ATOM 0 H THR A 55 -15.226 -21.867 11.985 1.00 0.00 H new ATOM 0 HA THR A 55 -16.743 -19.863 13.416 1.00 0.00 H new ATOM 0 HB THR A 55 -18.654 -21.147 12.670 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.318 -23.281 11.804 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.129 -21.427 10.266 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.397 -19.939 10.911 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.390 -21.380 10.639 1.00 0.00 H new ATOM 865 N GLY A 56 -17.373 -20.903 15.620 1.00 0.00 N ATOM 866 CA GLY A 56 -17.554 -21.473 16.985 1.00 0.00 C ATOM 867 C GLY A 56 -16.389 -21.045 17.873 1.00 0.00 C ATOM 868 O GLY A 56 -15.354 -20.615 17.400 1.00 0.00 O ATOM 0 H GLY A 56 -17.756 -19.967 15.488 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.496 -21.130 17.412 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.605 -22.561 16.933 1.00 0.00 H new ATOM 872 N LYS A 57 -16.551 -21.160 19.158 1.00 0.00 N ATOM 873 CA LYS A 57 -15.458 -20.765 20.088 1.00 0.00 C ATOM 874 C LYS A 57 -14.155 -21.433 19.648 1.00 0.00 C ATOM 875 O LYS A 57 -14.156 -22.520 19.106 1.00 0.00 O ATOM 876 CB LYS A 57 -15.807 -21.216 21.509 1.00 0.00 C ATOM 877 CG LYS A 57 -14.800 -20.622 22.496 1.00 0.00 C ATOM 878 CD LYS A 57 -14.988 -21.273 23.868 1.00 0.00 C ATOM 879 CE LYS A 57 -14.152 -20.523 24.907 1.00 0.00 C ATOM 880 NZ LYS A 57 -14.820 -19.235 25.248 1.00 0.00 N ATOM 0 H LYS A 57 -17.396 -21.512 19.608 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.338 -19.682 20.071 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.816 -20.895 21.766 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.793 -22.304 21.570 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.783 -20.787 22.139 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.940 -19.544 22.571 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.041 -21.254 24.150 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.687 -22.320 23.830 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.035 -21.132 25.803 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.152 -20.334 24.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.416 -18.857 26.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.672 -18.552 24.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.839 -19.396 25.376 1.00 0.00 H new ATOM 894 N CYS A 58 -13.041 -20.793 19.877 1.00 0.00 N ATOM 895 CA CYS A 58 -11.740 -21.394 19.470 1.00 0.00 C ATOM 896 C CYS A 58 -11.638 -22.816 20.026 1.00 0.00 C ATOM 897 O CYS A 58 -10.960 -23.661 19.477 1.00 0.00 O ATOM 898 CB CYS A 58 -10.593 -20.548 20.022 1.00 0.00 C ATOM 899 SG CYS A 58 -10.450 -19.023 19.057 1.00 0.00 S ATOM 0 H CYS A 58 -12.976 -19.880 20.328 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.679 -21.424 18.382 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.773 -20.312 21.071 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.659 -21.108 19.977 1.00 0.00 H new