USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 699 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 Single : A 7 LYS NZ :NH3+ 149:sc= -0.226 (180deg=-0.962) USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= -1.01 (180deg=-1.72!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2.76 K(o=-2.8,f=-0.11) USER MOD Single : A 19 GLN : amide:sc= -0.0821 K(o=-0.082,f=-2.4!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 164:sc= -0.733 USER MOD Single : A 25 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.14) USER MOD Single : A 27 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.4) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -11:sc= 0.18 USER MOD Single : A 46 ASN : amide:sc= -6.91! C(o=-6.9!,f=-14!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -50:sc= -0.659 USER MOD Single : A 54 THR OG1 : rot 110:sc= -0.116 USER MOD Single : A 57 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-4.5!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 146:sc= 1.29 USER MOD Single : A 66 HIS : no HE2:sc= -12.6! C(o=-13!,f=-19!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.3) USER MOD Single : A 78 MET CE :methyl 144:sc= -2.84! (180deg=-4.37) USER MOD Single : A 79 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.99) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= -1.15! (180deg=-1.59!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -149:sc= -8.23! (180deg=-9.08!) USER MOD Single : A 92 SER OG : rot 31:sc= -4.42 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -9.56! C(o=-9.6!,f=-15!) USER MOD Single : A 105 SER OG : rot -4:sc= 0.633 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 11.939 -3.415 -2.898 1.00 0.00 N ATOM 78 CA LEU A 5 12.486 -3.960 -4.124 1.00 0.00 C ATOM 79 C LEU A 5 13.711 -3.160 -4.543 1.00 0.00 C ATOM 80 O LEU A 5 13.681 -1.931 -4.550 1.00 0.00 O ATOM 81 CB LEU A 5 11.421 -3.928 -5.216 1.00 0.00 C ATOM 82 CG LEU A 5 10.636 -5.237 -5.199 1.00 0.00 C ATOM 83 CD1 LEU A 5 9.410 -5.107 -6.098 1.00 0.00 C ATOM 84 CD2 LEU A 5 11.524 -6.368 -5.711 1.00 0.00 C ATOM 0 HA LEU A 5 12.789 -4.994 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.748 -3.086 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.888 -3.784 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 5 10.317 -5.457 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.849 -6.042 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.776 -4.299 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 5 9.728 -4.888 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.965 -7.303 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 5 11.842 -6.148 -6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.400 -6.461 -5.070 1.00 0.00 H new ATOM 96 N CYS A 6 14.792 -3.861 -4.895 1.00 0.00 N ATOM 97 CA CYS A 6 16.020 -3.216 -5.313 1.00 0.00 C ATOM 98 C CYS A 6 16.735 -4.085 -6.337 1.00 0.00 C ATOM 99 O CYS A 6 16.527 -5.296 -6.381 1.00 0.00 O ATOM 100 CB CYS A 6 16.907 -2.974 -4.095 1.00 0.00 C ATOM 101 SG CYS A 6 15.994 -2.528 -2.597 1.00 0.00 S ATOM 0 H CYS A 6 14.832 -4.880 -4.896 1.00 0.00 H new ATOM 0 HA CYS A 6 15.792 -2.256 -5.776 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.490 -3.874 -3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.616 -2.179 -4.327 1.00 0.00 H new ATOM 106 N LYS A 7 17.582 -3.465 -7.163 1.00 0.00 N ATOM 107 CA LYS A 7 18.321 -4.184 -8.180 1.00 0.00 C ATOM 108 C LYS A 7 19.425 -5.009 -7.532 1.00 0.00 C ATOM 109 O LYS A 7 20.122 -4.529 -6.641 1.00 0.00 O ATOM 110 CB LYS A 7 18.905 -3.192 -9.181 1.00 0.00 C ATOM 111 CG LYS A 7 17.777 -2.372 -9.800 1.00 0.00 C ATOM 112 CD LYS A 7 16.903 -3.278 -10.663 1.00 0.00 C ATOM 113 CE LYS A 7 16.232 -2.448 -11.755 1.00 0.00 C ATOM 114 NZ LYS A 7 17.232 -1.858 -12.658 1.00 0.00 N ATOM 0 H LYS A 7 17.767 -2.462 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 7 17.651 -4.862 -8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.617 -2.534 -8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.452 -3.724 -9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.177 -1.909 -9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.190 -1.564 -10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.508 -4.066 -11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.148 -3.767 -10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.547 -3.076 -12.325 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.635 -1.657 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.828 -1.768 -13.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.505 -0.918 -12.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.071 -2.471 -12.694 1.00 0.00 H new ATOM 128 N PHE A 8 19.583 -6.255 -7.984 1.00 0.00 N ATOM 129 CA PHE A 8 20.599 -7.138 -7.448 1.00 0.00 C ATOM 130 C PHE A 8 21.497 -7.634 -8.572 1.00 0.00 C ATOM 131 O PHE A 8 21.290 -8.725 -9.100 1.00 0.00 O ATOM 132 CB PHE A 8 19.929 -8.308 -6.733 1.00 0.00 C ATOM 133 CG PHE A 8 20.783 -8.922 -5.650 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.793 -9.831 -5.986 1.00 0.00 C ATOM 135 CD2 PHE A 8 20.566 -8.579 -4.310 1.00 0.00 C ATOM 136 CE1 PHE A 8 22.586 -10.399 -4.981 1.00 0.00 C ATOM 137 CE2 PHE A 8 21.360 -9.146 -3.305 1.00 0.00 C ATOM 138 CZ PHE A 8 22.369 -10.056 -3.641 1.00 0.00 C ATOM 0 H PHE A 8 19.014 -6.668 -8.723 1.00 0.00 H new ATOM 0 HA PHE A 8 21.216 -6.596 -6.731 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.991 -7.967 -6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.678 -9.075 -7.465 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.961 -10.094 -7.020 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.787 -7.877 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 8 23.365 -11.101 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 8 21.194 -8.881 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.981 -10.494 -2.866 1.00 0.00 H new ATOM 148 N CYS A 9 22.498 -6.830 -8.937 1.00 0.00 N ATOM 149 CA CYS A 9 23.422 -7.189 -9.994 1.00 0.00 C ATOM 150 C CYS A 9 24.851 -7.114 -9.475 1.00 0.00 C ATOM 151 O CYS A 9 25.165 -6.277 -8.632 1.00 0.00 O ATOM 152 CB CYS A 9 23.227 -6.250 -11.180 1.00 0.00 C ATOM 153 SG CYS A 9 21.770 -6.628 -12.186 1.00 0.00 S ATOM 0 H CYS A 9 22.683 -5.923 -8.508 1.00 0.00 H new ATOM 0 HA CYS A 9 23.228 -8.210 -10.322 1.00 0.00 H new ATOM 0 HB2 CYS A 9 23.146 -5.227 -10.811 1.00 0.00 H new ATOM 0 HB3 CYS A 9 24.114 -6.291 -11.813 1.00 0.00 H new ATOM 158 N ASP A 10 25.719 -7.993 -9.982 1.00 0.00 N ATOM 159 CA ASP A 10 27.107 -8.022 -9.568 1.00 0.00 C ATOM 160 C ASP A 10 27.831 -6.796 -10.106 1.00 0.00 C ATOM 161 O ASP A 10 27.308 -6.094 -10.969 1.00 0.00 O ATOM 162 CB ASP A 10 27.762 -9.303 -10.078 1.00 0.00 C ATOM 163 CG ASP A 10 26.763 -10.451 -10.103 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.979 -10.500 -11.076 1.00 0.00 O ATOM 165 OD2 ASP A 10 26.802 -11.259 -9.149 1.00 0.00 O ATOM 0 H ASP A 10 25.475 -8.693 -10.682 1.00 0.00 H new ATOM 0 HA ASP A 10 27.167 -8.007 -8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 10 28.159 -9.139 -11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.606 -9.564 -9.439 1.00 0.00 H new ATOM 170 N VAL A 11 29.036 -6.539 -9.593 1.00 0.00 N ATOM 171 CA VAL A 11 29.824 -5.401 -10.022 1.00 0.00 C ATOM 172 C VAL A 11 30.480 -5.705 -11.361 1.00 0.00 C ATOM 173 O VAL A 11 31.337 -6.582 -11.450 1.00 0.00 O ATOM 174 CB VAL A 11 30.876 -5.083 -8.964 1.00 0.00 C ATOM 175 CG1 VAL A 11 31.031 -6.276 -8.026 1.00 0.00 C ATOM 176 CG2 VAL A 11 32.210 -4.793 -9.645 1.00 0.00 C ATOM 0 H VAL A 11 29.482 -7.112 -8.877 1.00 0.00 H new ATOM 0 HA VAL A 11 29.178 -4.532 -10.145 1.00 0.00 H new ATOM 0 HB VAL A 11 30.564 -4.210 -8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.783 -6.049 -7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 11 30.078 -6.483 -7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 11 31.344 -7.150 -8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.962 -4.566 -8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.523 -5.666 -10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 11 32.099 -3.940 -10.315 1.00 0.00 H new ATOM 186 N LYS A 12 30.076 -4.977 -12.405 1.00 0.00 N ATOM 187 CA LYS A 12 30.627 -5.173 -13.731 1.00 0.00 C ATOM 188 C LYS A 12 30.922 -3.825 -14.374 1.00 0.00 C ATOM 189 O LYS A 12 30.402 -2.800 -13.940 1.00 0.00 O ATOM 190 CB LYS A 12 29.640 -5.971 -14.578 1.00 0.00 C ATOM 191 CG LYS A 12 28.243 -5.854 -13.975 1.00 0.00 C ATOM 192 CD LYS A 12 27.225 -6.486 -14.921 1.00 0.00 C ATOM 193 CE LYS A 12 25.814 -6.195 -14.418 1.00 0.00 C ATOM 194 NZ LYS A 12 25.293 -7.321 -13.628 1.00 0.00 N ATOM 0 H LYS A 12 29.367 -4.246 -12.348 1.00 0.00 H new ATOM 0 HA LYS A 12 31.561 -5.731 -13.661 1.00 0.00 H new ATOM 0 HB2 LYS A 12 29.638 -5.598 -15.602 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.943 -7.017 -14.620 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.211 -6.351 -13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.995 -4.806 -13.805 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.353 -6.089 -15.928 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.387 -7.562 -14.980 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.820 -5.291 -13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.154 -6.004 -15.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 24.262 -7.227 -13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 25.514 -8.215 -14.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.734 -7.318 -12.686 1.00 0.00 H new ATOM 208 N ALA A 13 31.762 -3.830 -15.412 1.00 0.00 N ATOM 209 CA ALA A 13 32.123 -2.612 -16.108 1.00 0.00 C ATOM 210 C ALA A 13 30.867 -1.836 -16.477 1.00 0.00 C ATOM 211 O ALA A 13 30.066 -2.296 -17.287 1.00 0.00 O ATOM 212 CB ALA A 13 32.930 -2.960 -17.356 1.00 0.00 C ATOM 0 H ALA A 13 32.202 -4.672 -15.783 1.00 0.00 H new ATOM 0 HA ALA A 13 32.735 -1.986 -15.459 1.00 0.00 H new ATOM 0 HB1 ALA A 13 33.202 -2.044 -17.880 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.835 -3.495 -17.067 1.00 0.00 H new ATOM 0 HB3 ALA A 13 32.330 -3.590 -18.013 1.00 0.00 H new ATOM 218 N THR A 14 30.695 -0.655 -15.878 1.00 0.00 N ATOM 219 CA THR A 14 29.539 0.174 -16.149 1.00 0.00 C ATOM 220 C THR A 14 29.944 1.368 -17.001 1.00 0.00 C ATOM 221 O THR A 14 31.128 1.671 -17.131 1.00 0.00 O ATOM 222 CB THR A 14 28.925 0.636 -14.830 1.00 0.00 C ATOM 223 OG1 THR A 14 27.823 1.474 -15.092 1.00 0.00 O ATOM 224 CG2 THR A 14 29.969 1.405 -14.025 1.00 0.00 C ATOM 0 H THR A 14 31.348 -0.259 -15.202 1.00 0.00 H new ATOM 0 HA THR A 14 28.796 -0.403 -16.700 1.00 0.00 H new ATOM 0 HB THR A 14 28.593 -0.232 -14.260 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.428 1.769 -14.245 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.531 1.735 -13.083 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.821 0.757 -13.822 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.301 2.273 -14.595 1.00 0.00 H new ATOM 232 N THR A 15 28.954 2.048 -17.584 1.00 0.00 N ATOM 233 CA THR A 15 29.213 3.204 -18.419 1.00 0.00 C ATOM 234 C THR A 15 28.558 4.437 -17.814 1.00 0.00 C ATOM 235 O THR A 15 28.347 5.433 -18.502 1.00 0.00 O ATOM 236 CB THR A 15 28.680 2.944 -19.825 1.00 0.00 C ATOM 237 OG1 THR A 15 27.289 2.722 -19.767 1.00 0.00 O ATOM 238 CG2 THR A 15 29.367 1.713 -20.410 1.00 0.00 C ATOM 0 H THR A 15 27.967 1.811 -17.488 1.00 0.00 H new ATOM 0 HA THR A 15 30.287 3.381 -18.478 1.00 0.00 H new ATOM 0 HB THR A 15 28.884 3.809 -20.456 1.00 0.00 H new ATOM 0 HG1 THR A 15 26.946 2.557 -20.670 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.987 1.527 -21.414 1.00 0.00 H new ATOM 0 HG22 THR A 15 30.443 1.884 -20.455 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.163 0.848 -19.779 1.00 0.00 H new ATOM 246 N CYS A 16 28.238 4.368 -16.520 1.00 0.00 N ATOM 247 CA CYS A 16 27.611 5.475 -15.826 1.00 0.00 C ATOM 248 C CYS A 16 28.674 6.460 -15.362 1.00 0.00 C ATOM 249 O CYS A 16 29.722 6.057 -14.862 1.00 0.00 O ATOM 250 CB CYS A 16 26.811 4.944 -14.640 1.00 0.00 C ATOM 251 SG CYS A 16 25.135 5.619 -14.522 1.00 0.00 S ATOM 0 H CYS A 16 28.407 3.549 -15.936 1.00 0.00 H new ATOM 0 HA CYS A 16 26.932 5.995 -16.501 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.750 3.858 -14.713 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.349 5.172 -13.720 1.00 0.00 H new ATOM 256 N SER A 17 28.402 7.757 -15.529 1.00 0.00 N ATOM 257 CA SER A 17 29.335 8.790 -15.126 1.00 0.00 C ATOM 258 C SER A 17 28.816 9.498 -13.882 1.00 0.00 C ATOM 259 O SER A 17 27.662 9.320 -13.499 1.00 0.00 O ATOM 260 CB SER A 17 29.523 9.780 -16.273 1.00 0.00 C ATOM 261 OG SER A 17 30.431 9.246 -17.210 1.00 0.00 O ATOM 0 H SER A 17 27.538 8.108 -15.943 1.00 0.00 H new ATOM 0 HA SER A 17 30.300 8.342 -14.888 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.566 9.983 -16.753 1.00 0.00 H new ATOM 0 HB3 SER A 17 29.895 10.730 -15.890 1.00 0.00 H new ATOM 0 HG SER A 17 30.551 9.880 -17.947 1.00 0.00 H new ATOM 267 N ASN A 18 29.674 10.303 -13.252 1.00 0.00 N ATOM 268 CA ASN A 18 29.298 11.034 -12.058 1.00 0.00 C ATOM 269 C ASN A 18 28.378 12.189 -12.425 1.00 0.00 C ATOM 270 O ASN A 18 28.760 13.352 -12.311 1.00 0.00 O ATOM 271 CB ASN A 18 30.555 11.545 -11.360 1.00 0.00 C ATOM 272 CG ASN A 18 31.585 12.021 -12.374 1.00 0.00 C ATOM 273 OD1 ASN A 18 31.399 13.056 -13.010 1.00 0.00 O ATOM 274 ND2 ASN A 18 32.674 11.263 -12.523 1.00 0.00 N ATOM 0 H ASN A 18 30.635 10.460 -13.556 1.00 0.00 H new ATOM 0 HA ASN A 18 28.762 10.373 -11.377 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.295 12.363 -10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 18 30.983 10.752 -10.746 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.398 11.535 -13.189 1.00 0.00 H new ATOM 0 HD22 ASN A 18 32.782 10.412 -11.971 1.00 0.00 H new ATOM 281 N GLN A 19 27.160 11.865 -12.865 1.00 0.00 N ATOM 282 CA GLN A 19 26.192 12.874 -13.246 1.00 0.00 C ATOM 283 C GLN A 19 25.137 13.014 -12.158 1.00 0.00 C ATOM 284 O GLN A 19 24.928 12.095 -11.369 1.00 0.00 O ATOM 285 CB GLN A 19 25.551 12.484 -14.575 1.00 0.00 C ATOM 286 CG GLN A 19 26.571 11.747 -15.437 1.00 0.00 C ATOM 287 CD GLN A 19 27.604 12.712 -16.001 1.00 0.00 C ATOM 288 OE1 GLN A 19 28.694 12.850 -15.450 1.00 0.00 O ATOM 289 NE2 GLN A 19 27.258 13.381 -17.103 1.00 0.00 N ATOM 0 H GLN A 19 26.828 10.906 -12.963 1.00 0.00 H new ATOM 0 HA GLN A 19 26.690 13.836 -13.366 1.00 0.00 H new ATOM 0 HB2 GLN A 19 24.682 11.850 -14.399 1.00 0.00 H new ATOM 0 HB3 GLN A 19 25.196 13.374 -15.094 1.00 0.00 H new ATOM 0 HG2 GLN A 19 27.069 10.981 -14.843 1.00 0.00 H new ATOM 0 HG3 GLN A 19 26.061 11.236 -16.254 1.00 0.00 H new ATOM 0 HE21 GLN A 19 26.341 13.232 -17.523 1.00 0.00 H new ATOM 0 HE22 GLN A 19 27.911 14.042 -17.525 1.00 0.00 H new ATOM 298 N ASP A 20 24.469 14.169 -12.119 1.00 0.00 N ATOM 299 CA ASP A 20 23.441 14.424 -11.130 1.00 0.00 C ATOM 300 C ASP A 20 22.557 13.194 -10.977 1.00 0.00 C ATOM 301 O ASP A 20 22.083 12.901 -9.882 1.00 0.00 O ATOM 302 CB ASP A 20 22.614 15.634 -11.557 1.00 0.00 C ATOM 303 CG ASP A 20 23.510 16.746 -12.085 1.00 0.00 C ATOM 304 OD1 ASP A 20 24.544 17.000 -11.430 1.00 0.00 O ATOM 305 OD2 ASP A 20 23.144 17.321 -13.133 1.00 0.00 O ATOM 0 H ASP A 20 24.629 14.940 -12.767 1.00 0.00 H new ATOM 0 HA ASP A 20 23.903 14.638 -10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 20 21.902 15.339 -12.327 1.00 0.00 H new ATOM 0 HB3 ASP A 20 22.034 16.000 -10.710 1.00 0.00 H new ATOM 310 N GLN A 21 22.337 12.474 -12.079 1.00 0.00 N ATOM 311 CA GLN A 21 21.513 11.282 -12.061 1.00 0.00 C ATOM 312 C GLN A 21 22.122 10.219 -12.964 1.00 0.00 C ATOM 313 O GLN A 21 22.448 10.492 -14.117 1.00 0.00 O ATOM 314 CB GLN A 21 20.101 11.636 -12.519 1.00 0.00 C ATOM 315 CG GLN A 21 19.171 10.452 -12.266 1.00 0.00 C ATOM 316 CD GLN A 21 17.899 10.575 -13.092 1.00 0.00 C ATOM 317 OE1 GLN A 21 17.886 10.227 -14.270 1.00 0.00 O ATOM 318 NE2 GLN A 21 16.828 11.073 -12.470 1.00 0.00 N ATOM 0 H GLN A 21 22.723 12.704 -12.995 1.00 0.00 H new ATOM 0 HA GLN A 21 21.464 10.884 -11.048 1.00 0.00 H new ATOM 0 HB2 GLN A 21 19.743 12.514 -11.982 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.104 11.889 -13.579 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.683 9.523 -12.515 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.918 10.403 -11.207 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.889 11.348 -11.490 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.948 11.179 -12.975 1.00 0.00 H new ATOM 327 N CYS A 22 22.274 9.002 -12.435 1.00 0.00 N ATOM 328 CA CYS A 22 22.841 7.904 -13.192 1.00 0.00 C ATOM 329 C CYS A 22 22.042 6.635 -12.935 1.00 0.00 C ATOM 330 O CYS A 22 21.278 6.563 -11.975 1.00 0.00 O ATOM 331 CB CYS A 22 24.302 7.714 -12.795 1.00 0.00 C ATOM 332 SG CYS A 22 25.452 7.724 -14.193 1.00 0.00 S ATOM 0 H CYS A 22 22.008 8.761 -11.480 1.00 0.00 H new ATOM 0 HA CYS A 22 22.795 8.129 -14.258 1.00 0.00 H new ATOM 0 HB2 CYS A 22 24.585 8.504 -12.100 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.403 6.769 -12.261 1.00 0.00 H new ATOM 337 N THR A 23 22.221 5.630 -13.796 1.00 0.00 N ATOM 338 CA THR A 23 21.517 4.372 -13.654 1.00 0.00 C ATOM 339 C THR A 23 22.503 3.259 -13.329 1.00 0.00 C ATOM 340 O THR A 23 23.689 3.368 -13.630 1.00 0.00 O ATOM 341 CB THR A 23 20.761 4.064 -14.943 1.00 0.00 C ATOM 342 OG1 THR A 23 19.877 5.124 -15.234 1.00 0.00 O ATOM 343 CG2 THR A 23 19.968 2.772 -14.773 1.00 0.00 C ATOM 0 H THR A 23 22.851 5.672 -14.597 1.00 0.00 H new ATOM 0 HA THR A 23 20.801 4.445 -12.836 1.00 0.00 H new ATOM 0 HB THR A 23 21.471 3.948 -15.761 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.392 4.928 -16.063 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.428 2.553 -15.694 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.651 1.953 -14.549 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.257 2.886 -13.954 1.00 0.00 H new ATOM 351 N SER A 24 22.007 2.185 -12.710 1.00 0.00 N ATOM 352 CA SER A 24 22.844 1.058 -12.349 1.00 0.00 C ATOM 353 C SER A 24 23.048 0.157 -13.559 1.00 0.00 C ATOM 354 O SER A 24 24.002 -0.616 -13.606 1.00 0.00 O ATOM 355 CB SER A 24 22.190 0.287 -11.205 1.00 0.00 C ATOM 356 OG SER A 24 20.982 -0.285 -11.654 1.00 0.00 O ATOM 0 H SER A 24 21.026 2.080 -12.451 1.00 0.00 H new ATOM 0 HA SER A 24 23.820 1.415 -12.019 1.00 0.00 H new ATOM 0 HB2 SER A 24 22.862 -0.492 -10.846 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.999 0.955 -10.365 1.00 0.00 H new ATOM 0 HG SER A 24 20.694 -0.977 -11.023 1.00 0.00 H new ATOM 362 N ASN A 25 22.149 0.261 -14.540 1.00 0.00 N ATOM 363 CA ASN A 25 22.236 -0.542 -15.743 1.00 0.00 C ATOM 364 C ASN A 25 21.843 -1.980 -15.437 1.00 0.00 C ATOM 365 O ASN A 25 21.823 -2.825 -16.329 1.00 0.00 O ATOM 366 CB ASN A 25 23.658 -0.476 -16.294 1.00 0.00 C ATOM 367 CG ASN A 25 23.690 -0.873 -17.763 1.00 0.00 C ATOM 368 OD1 ASN A 25 23.912 -2.038 -18.087 1.00 0.00 O ATOM 369 ND2 ASN A 25 23.465 0.097 -18.651 1.00 0.00 N ATOM 0 H ASN A 25 21.353 0.898 -14.516 1.00 0.00 H new ATOM 0 HA ASN A 25 21.549 -0.153 -16.494 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.051 0.534 -16.177 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.306 -1.138 -15.720 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.472 -0.113 -19.649 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.285 1.049 -18.332 1.00 0.00 H new ATOM 376 N CYS A 26 21.528 -2.255 -14.169 1.00 0.00 N ATOM 377 CA CYS A 26 21.137 -3.586 -13.750 1.00 0.00 C ATOM 378 C CYS A 26 19.795 -3.948 -14.372 1.00 0.00 C ATOM 379 O CYS A 26 19.072 -3.074 -14.846 1.00 0.00 O ATOM 380 CB CYS A 26 21.057 -3.636 -12.226 1.00 0.00 C ATOM 381 SG CYS A 26 20.589 -5.255 -11.567 1.00 0.00 S ATOM 0 H CYS A 26 21.539 -1.565 -13.418 1.00 0.00 H new ATOM 0 HA CYS A 26 21.879 -4.310 -14.086 1.00 0.00 H new ATOM 0 HB2 CYS A 26 22.025 -3.352 -11.812 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.335 -2.894 -11.886 1.00 0.00 H new ATOM 386 N ASN A 27 19.464 -5.241 -14.370 1.00 0.00 N ATOM 387 CA ASN A 27 18.214 -5.710 -14.933 1.00 0.00 C ATOM 388 C ASN A 27 17.661 -6.851 -14.091 1.00 0.00 C ATOM 389 O ASN A 27 17.104 -7.807 -14.625 1.00 0.00 O ATOM 390 CB ASN A 27 18.444 -6.162 -16.372 1.00 0.00 C ATOM 391 CG ASN A 27 17.455 -5.493 -17.316 1.00 0.00 C ATOM 392 OD1 ASN A 27 17.232 -4.287 -17.232 1.00 0.00 O ATOM 393 ND2 ASN A 27 16.862 -6.279 -18.218 1.00 0.00 N ATOM 0 H ASN A 27 20.053 -5.978 -13.981 1.00 0.00 H new ATOM 0 HA ASN A 27 17.485 -4.900 -14.931 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.463 -5.920 -16.675 1.00 0.00 H new ATOM 0 HB3 ASN A 27 18.340 -7.245 -16.438 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.191 -5.883 -18.877 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.080 -7.275 -18.248 1.00 0.00 H new ATOM 400 N ILE A 28 17.817 -6.747 -12.769 1.00 0.00 N ATOM 401 CA ILE A 28 17.334 -7.765 -11.858 1.00 0.00 C ATOM 402 C ILE A 28 16.523 -7.116 -10.745 1.00 0.00 C ATOM 403 O ILE A 28 16.822 -6.001 -10.325 1.00 0.00 O ATOM 404 CB ILE A 28 18.518 -8.538 -11.285 1.00 0.00 C ATOM 405 CG1 ILE A 28 19.252 -9.255 -12.415 1.00 0.00 C ATOM 406 CG2 ILE A 28 18.014 -9.564 -10.274 1.00 0.00 C ATOM 407 CD1 ILE A 28 20.238 -10.259 -11.824 1.00 0.00 C ATOM 0 H ILE A 28 18.278 -5.960 -12.312 1.00 0.00 H new ATOM 0 HA ILE A 28 16.688 -8.462 -12.393 1.00 0.00 H new ATOM 0 HB ILE A 28 19.200 -7.846 -10.791 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.538 -9.767 -13.060 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.781 -8.532 -13.036 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.859 -10.117 -9.864 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.489 -9.052 -9.467 1.00 0.00 H new ATOM 0 HG23 ILE A 28 17.333 -10.257 -10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.763 -10.772 -12.630 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.959 -9.735 -11.197 1.00 0.00 H new ATOM 0 HD13 ILE A 28 19.697 -10.989 -11.222 1.00 0.00 H new ATOM 419 N THR A 29 15.493 -7.819 -10.266 1.00 0.00 N ATOM 420 CA THR A 29 14.649 -7.306 -9.206 1.00 0.00 C ATOM 421 C THR A 29 14.659 -8.266 -8.025 1.00 0.00 C ATOM 422 O THR A 29 14.007 -9.307 -8.061 1.00 0.00 O ATOM 423 CB THR A 29 13.231 -7.113 -9.734 1.00 0.00 C ATOM 424 OG1 THR A 29 13.238 -6.144 -10.758 1.00 0.00 O ATOM 425 CG2 THR A 29 12.323 -6.648 -8.599 1.00 0.00 C ATOM 0 H THR A 29 15.231 -8.746 -10.602 1.00 0.00 H new ATOM 0 HA THR A 29 15.031 -6.343 -8.867 1.00 0.00 H new ATOM 0 HB THR A 29 12.860 -8.058 -10.131 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.327 -6.021 -11.098 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.310 -6.510 -8.977 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.316 -7.398 -7.808 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.693 -5.703 -8.201 1.00 0.00 H new ATOM 433 N SER A 30 15.403 -7.911 -6.974 1.00 0.00 N ATOM 434 CA SER A 30 15.493 -8.739 -5.789 1.00 0.00 C ATOM 435 C SER A 30 14.490 -8.262 -4.748 1.00 0.00 C ATOM 436 O SER A 30 14.404 -7.069 -4.465 1.00 0.00 O ATOM 437 CB SER A 30 16.915 -8.681 -5.236 1.00 0.00 C ATOM 438 OG SER A 30 17.262 -7.340 -4.973 1.00 0.00 O ATOM 0 H SER A 30 15.950 -7.051 -6.929 1.00 0.00 H new ATOM 0 HA SER A 30 15.258 -9.772 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.986 -9.272 -4.323 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.613 -9.115 -5.952 1.00 0.00 H new ATOM 0 HG SER A 30 16.586 -6.745 -5.360 1.00 0.00 H new ATOM 444 N ILE A 31 13.731 -9.200 -4.177 1.00 0.00 N ATOM 445 CA ILE A 31 12.740 -8.876 -3.170 1.00 0.00 C ATOM 446 C ILE A 31 13.415 -8.722 -1.814 1.00 0.00 C ATOM 447 O ILE A 31 14.266 -9.530 -1.448 1.00 0.00 O ATOM 448 CB ILE A 31 11.682 -9.975 -3.126 1.00 0.00 C ATOM 449 CG1 ILE A 31 11.160 -10.235 -4.536 1.00 0.00 C ATOM 450 CG2 ILE A 31 10.528 -9.534 -2.230 1.00 0.00 C ATOM 451 CD1 ILE A 31 10.276 -9.071 -4.975 1.00 0.00 C ATOM 0 H ILE A 31 13.791 -10.193 -4.402 1.00 0.00 H new ATOM 0 HA ILE A 31 12.255 -7.933 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 31 12.123 -10.889 -2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.994 -10.353 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.592 -11.165 -4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.772 -10.318 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.900 -9.348 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.087 -8.621 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.903 -9.257 -5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.435 -8.974 -4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.858 -8.149 -4.968 1.00 0.00 H new ATOM 463 N CYS A 32 13.034 -7.682 -1.069 1.00 0.00 N ATOM 464 CA CYS A 32 13.603 -7.428 0.239 1.00 0.00 C ATOM 465 C CYS A 32 12.487 -7.210 1.252 1.00 0.00 C ATOM 466 O CYS A 32 12.588 -6.339 2.112 1.00 0.00 O ATOM 467 CB CYS A 32 14.514 -6.206 0.168 1.00 0.00 C ATOM 468 SG CYS A 32 16.069 -6.499 -0.712 1.00 0.00 S ATOM 0 H CYS A 32 12.329 -7.004 -1.359 1.00 0.00 H new ATOM 0 HA CYS A 32 14.194 -8.287 0.557 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.978 -5.394 -0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.739 -5.873 1.181 1.00 0.00 H new ATOM 538 N GLU A 37 15.488 -4.985 4.717 1.00 0.00 N ATOM 539 CA GLU A 37 16.510 -4.837 3.701 1.00 0.00 C ATOM 540 C GLU A 37 16.334 -3.510 2.976 1.00 0.00 C ATOM 541 O GLU A 37 15.238 -2.957 2.945 1.00 0.00 O ATOM 542 CB GLU A 37 16.424 -6.004 2.721 1.00 0.00 C ATOM 543 CG GLU A 37 17.580 -6.967 2.973 1.00 0.00 C ATOM 544 CD GLU A 37 17.071 -8.294 3.519 1.00 0.00 C ATOM 545 OE1 GLU A 37 16.737 -8.322 4.723 1.00 0.00 O ATOM 546 OE2 GLU A 37 17.027 -9.256 2.721 1.00 0.00 O ATOM 0 HA GLU A 37 17.494 -4.843 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.473 -6.523 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.461 -5.635 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.127 -7.136 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.281 -6.523 3.680 1.00 0.00 H new ATOM 553 N VAL A 38 17.422 -3.001 2.392 1.00 0.00 N ATOM 554 CA VAL A 38 17.385 -1.744 1.672 1.00 0.00 C ATOM 555 C VAL A 38 18.142 -1.882 0.358 1.00 0.00 C ATOM 556 O VAL A 38 18.847 -2.866 0.146 1.00 0.00 O ATOM 557 CB VAL A 38 17.996 -0.645 2.536 1.00 0.00 C ATOM 558 CG1 VAL A 38 18.011 0.667 1.756 1.00 0.00 C ATOM 559 CG2 VAL A 38 17.164 -0.473 3.803 1.00 0.00 C ATOM 0 H VAL A 38 18.338 -3.449 2.409 1.00 0.00 H new ATOM 0 HA VAL A 38 16.352 -1.478 1.448 1.00 0.00 H new ATOM 0 HB VAL A 38 19.016 -0.920 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 38 18.447 1.452 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 38 18.605 0.545 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.991 0.942 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 38 17.600 0.312 4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 38 16.144 -0.199 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 38 17.153 -1.409 4.361 1.00 0.00 H new ATOM 569 N CYS A 39 17.993 -0.891 -0.525 1.00 0.00 N ATOM 570 CA CYS A 39 18.662 -0.906 -1.810 1.00 0.00 C ATOM 571 C CYS A 39 19.999 -0.186 -1.703 1.00 0.00 C ATOM 572 O CYS A 39 20.053 0.968 -1.286 1.00 0.00 O ATOM 573 CB CYS A 39 17.770 -0.239 -2.854 1.00 0.00 C ATOM 574 SG CYS A 39 16.013 -0.636 -2.681 1.00 0.00 S ATOM 0 H CYS A 39 17.411 -0.069 -0.364 1.00 0.00 H new ATOM 0 HA CYS A 39 18.850 -1.935 -2.116 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.896 0.842 -2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 39 18.104 -0.539 -3.847 1.00 0.00 H new ATOM 579 N ALA A 40 21.080 -0.872 -2.082 1.00 0.00 N ATOM 580 CA ALA A 40 22.408 -0.297 -2.026 1.00 0.00 C ATOM 581 C ALA A 40 23.070 -0.394 -3.393 1.00 0.00 C ATOM 582 O ALA A 40 23.186 -1.482 -3.954 1.00 0.00 O ATOM 583 CB ALA A 40 23.234 -1.029 -0.972 1.00 0.00 C ATOM 0 H ALA A 40 21.051 -1.830 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 40 22.342 0.756 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 40 24.234 -0.597 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.753 -0.929 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.306 -2.085 -1.234 1.00 0.00 H new ATOM 589 N ALA A 41 23.504 0.749 -3.930 1.00 0.00 N ATOM 590 CA ALA A 41 24.149 0.787 -5.227 1.00 0.00 C ATOM 591 C ALA A 41 25.440 1.589 -5.137 1.00 0.00 C ATOM 592 O ALA A 41 25.415 2.777 -4.824 1.00 0.00 O ATOM 593 CB ALA A 41 23.199 1.406 -6.249 1.00 0.00 C ATOM 0 H ALA A 41 23.416 1.659 -3.478 1.00 0.00 H new ATOM 0 HA ALA A 41 24.394 -0.226 -5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.683 1.435 -7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.291 0.806 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.943 2.420 -5.941 1.00 0.00 H new ATOM 599 N VAL A 42 26.571 0.934 -5.412 1.00 0.00 N ATOM 600 CA VAL A 42 27.864 1.586 -5.361 1.00 0.00 C ATOM 601 C VAL A 42 28.495 1.588 -6.746 1.00 0.00 C ATOM 602 O VAL A 42 28.644 0.537 -7.365 1.00 0.00 O ATOM 603 CB VAL A 42 28.759 0.861 -4.359 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.526 -0.643 -4.465 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.221 1.173 -4.666 1.00 0.00 C ATOM 0 H VAL A 42 26.608 -0.052 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 42 27.743 2.620 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 42 28.520 1.195 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.165 -1.161 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.482 -0.866 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.765 -0.978 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.861 0.656 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.460 0.839 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.387 2.248 -4.591 1.00 0.00 H new ATOM 615 N TRP A 43 28.867 2.775 -7.232 1.00 0.00 N ATOM 616 CA TRP A 43 29.480 2.903 -8.539 1.00 0.00 C ATOM 617 C TRP A 43 30.922 3.367 -8.391 1.00 0.00 C ATOM 618 O TRP A 43 31.179 4.450 -7.868 1.00 0.00 O ATOM 619 CB TRP A 43 28.678 3.890 -9.382 1.00 0.00 C ATOM 620 CG TRP A 43 29.373 4.376 -10.613 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.215 3.863 -11.853 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.336 5.465 -10.752 1.00 0.00 C ATOM 623 NE1 TRP A 43 30.009 4.555 -12.743 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.723 5.555 -12.116 1.00 0.00 C ATOM 625 CE3 TRP A 43 30.922 6.386 -9.865 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.640 6.505 -12.576 1.00 0.00 C ATOM 627 CZ3 TRP A 43 31.843 7.342 -10.316 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.203 7.405 -11.667 1.00 0.00 C ATOM 0 H TRP A 43 28.751 3.657 -6.733 1.00 0.00 H new ATOM 0 HA TRP A 43 29.481 1.935 -9.040 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.740 3.418 -9.674 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.422 4.750 -8.763 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.567 3.038 -12.108 1.00 0.00 H new ATOM 0 HE1 TRP A 43 30.062 4.353 -13.741 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.658 6.356 -8.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 31.910 6.543 -13.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.279 8.037 -9.614 1.00 0.00 H new ATOM 0 HH2 TRP A 43 32.912 8.146 -12.005 1.00 0.00 H new ATOM 639 N ARG A 44 31.865 2.544 -8.854 1.00 0.00 N ATOM 640 CA ARG A 44 33.274 2.870 -8.772 1.00 0.00 C ATOM 641 C ARG A 44 33.832 3.102 -10.169 1.00 0.00 C ATOM 642 O ARG A 44 33.322 2.553 -11.142 1.00 0.00 O ATOM 643 CB ARG A 44 34.018 1.736 -8.074 1.00 0.00 C ATOM 644 CG ARG A 44 33.021 0.860 -7.321 1.00 0.00 C ATOM 645 CD ARG A 44 33.775 -0.096 -6.401 1.00 0.00 C ATOM 646 NE ARG A 44 33.819 -1.444 -6.968 1.00 0.00 N ATOM 647 CZ ARG A 44 34.846 -1.888 -7.705 1.00 0.00 C ATOM 648 NH1 ARG A 44 35.892 -1.086 -7.949 1.00 0.00 N ATOM 649 NH2 ARG A 44 34.828 -3.134 -8.197 1.00 0.00 N ATOM 0 H ARG A 44 31.668 1.644 -9.291 1.00 0.00 H new ATOM 0 HA ARG A 44 33.407 3.784 -8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.562 1.139 -8.806 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.756 2.143 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 44 32.342 1.482 -6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.411 0.297 -8.027 1.00 0.00 H new ATOM 0 HD2 ARG A 44 34.790 0.270 -6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 44 33.291 -0.124 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 44 33.034 -2.072 -6.795 1.00 0.00 H new ATOM 0 HH11 ARG A 44 35.906 -0.138 -7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 44 36.674 -1.424 -8.510 1.00 0.00 H new ATOM 0 HH21 ARG A 44 34.032 -3.745 -8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 44 35.610 -3.472 -8.758 1.00 0.00 H new ATOM 663 N ARG A 45 34.884 3.918 -10.265 1.00 0.00 N ATOM 664 CA ARG A 45 35.506 4.219 -11.539 1.00 0.00 C ATOM 665 C ARG A 45 37.017 4.290 -11.372 1.00 0.00 C ATOM 666 O ARG A 45 37.535 5.236 -10.783 1.00 0.00 O ATOM 667 CB ARG A 45 34.958 5.540 -12.071 1.00 0.00 C ATOM 668 CG ARG A 45 34.950 6.576 -10.951 1.00 0.00 C ATOM 669 CD ARG A 45 35.182 7.964 -11.539 1.00 0.00 C ATOM 670 NE ARG A 45 34.582 8.999 -10.696 1.00 0.00 N ATOM 671 CZ ARG A 45 34.822 10.306 -10.870 1.00 0.00 C ATOM 672 NH1 ARG A 45 35.641 10.712 -11.850 1.00 0.00 N ATOM 673 NH2 ARG A 45 34.244 11.206 -10.064 1.00 0.00 N ATOM 0 H ARG A 45 35.319 4.380 -9.466 1.00 0.00 H new ATOM 0 HA ARG A 45 35.277 3.430 -12.256 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.570 5.892 -12.902 1.00 0.00 H new ATOM 0 HB3 ARG A 45 33.948 5.398 -12.457 1.00 0.00 H new ATOM 0 HG2 ARG A 45 33.997 6.548 -10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.726 6.344 -10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 45 36.252 8.146 -11.638 1.00 0.00 H new ATOM 0 HD3 ARG A 45 34.756 8.014 -12.541 1.00 0.00 H new ATOM 0 HE ARG A 45 33.955 8.714 -9.944 1.00 0.00 H new ATOM 0 HH11 ARG A 45 36.082 10.026 -12.463 1.00 0.00 H new ATOM 0 HH12 ARG A 45 35.824 11.707 -11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 45 33.621 10.897 -9.318 1.00 0.00 H new ATOM 0 HH22 ARG A 45 34.427 12.201 -10.196 1.00 0.00 H new ATOM 687 N ASN A 46 37.724 3.284 -11.893 1.00 0.00 N ATOM 688 CA ASN A 46 39.169 3.239 -11.799 1.00 0.00 C ATOM 689 C ASN A 46 39.785 3.455 -13.174 1.00 0.00 C ATOM 690 O ASN A 46 39.410 2.791 -14.138 1.00 0.00 O ATOM 691 CB ASN A 46 39.598 1.895 -11.220 1.00 0.00 C ATOM 692 CG ASN A 46 38.999 0.744 -12.015 1.00 0.00 C ATOM 693 OD1 ASN A 46 39.479 0.419 -13.099 1.00 0.00 O ATOM 694 ND2 ASN A 46 37.946 0.126 -11.474 1.00 0.00 N ATOM 0 H ASN A 46 37.309 2.492 -12.384 1.00 0.00 H new ATOM 0 HA ASN A 46 39.518 4.033 -11.139 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.685 1.821 -11.229 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.283 1.826 -10.179 1.00 0.00 H new ATOM 0 HD21 ASN A 46 37.504 -0.652 -11.964 1.00 0.00 H new ATOM 0 HD22 ASN A 46 37.583 0.432 -10.571 1.00 0.00 H new ATOM 701 N ASP A 47 40.736 4.388 -13.262 1.00 0.00 N ATOM 702 CA ASP A 47 41.399 4.688 -14.516 1.00 0.00 C ATOM 703 C ASP A 47 40.376 4.732 -15.642 1.00 0.00 C ATOM 704 O ASP A 47 39.697 5.739 -15.827 1.00 0.00 O ATOM 705 CB ASP A 47 42.463 3.630 -14.793 1.00 0.00 C ATOM 706 CG ASP A 47 43.463 3.551 -13.648 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.374 4.407 -13.630 1.00 0.00 O ATOM 708 OD2 ASP A 47 43.298 2.636 -12.812 1.00 0.00 O ATOM 0 H ASP A 47 41.059 4.946 -12.472 1.00 0.00 H new ATOM 0 HA ASP A 47 41.882 5.663 -14.453 1.00 0.00 H new ATOM 0 HB2 ASP A 47 41.988 2.659 -14.934 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.984 3.867 -15.720 1.00 0.00 H new ATOM 713 N GLU A 48 40.267 3.635 -16.395 1.00 0.00 N ATOM 714 CA GLU A 48 39.327 3.557 -17.496 1.00 0.00 C ATOM 715 C GLU A 48 38.409 2.357 -17.311 1.00 0.00 C ATOM 716 O GLU A 48 37.782 1.898 -18.263 1.00 0.00 O ATOM 717 CB GLU A 48 40.094 3.454 -18.811 1.00 0.00 C ATOM 718 CG GLU A 48 40.631 2.036 -18.977 1.00 0.00 C ATOM 719 CD GLU A 48 42.037 2.052 -19.558 1.00 0.00 C ATOM 720 OE1 GLU A 48 42.971 2.339 -18.778 1.00 0.00 O ATOM 721 OE2 GLU A 48 42.153 1.776 -20.772 1.00 0.00 O ATOM 0 H GLU A 48 40.823 2.791 -16.255 1.00 0.00 H new ATOM 0 HA GLU A 48 38.712 4.457 -17.517 1.00 0.00 H new ATOM 0 HB2 GLU A 48 39.441 3.707 -19.646 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.916 4.169 -18.822 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.638 1.530 -18.011 1.00 0.00 H new ATOM 0 HG3 GLU A 48 39.970 1.467 -19.630 1.00 0.00 H new ATOM 728 N ASN A 49 38.331 1.850 -16.079 1.00 0.00 N ATOM 729 CA ASN A 49 37.491 0.709 -15.776 1.00 0.00 C ATOM 730 C ASN A 49 36.506 1.068 -14.672 1.00 0.00 C ATOM 731 O ASN A 49 36.849 1.031 -13.493 1.00 0.00 O ATOM 732 CB ASN A 49 38.366 -0.468 -15.356 1.00 0.00 C ATOM 733 CG ASN A 49 38.232 -1.623 -16.339 1.00 0.00 C ATOM 734 OD1 ASN A 49 39.058 -1.777 -17.235 1.00 0.00 O ATOM 735 ND2 ASN A 49 37.187 -2.436 -16.167 1.00 0.00 N ATOM 0 H ASN A 49 38.844 2.219 -15.279 1.00 0.00 H new ATOM 0 HA ASN A 49 36.924 0.427 -16.663 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.407 -0.151 -15.301 1.00 0.00 H new ATOM 0 HB3 ASN A 49 38.081 -0.800 -14.358 1.00 0.00 H new ATOM 0 HD21 ASN A 49 37.048 -3.227 -16.795 1.00 0.00 H new ATOM 0 HD22 ASN A 49 36.528 -2.266 -15.407 1.00 0.00 H new ATOM 742 N VAL A 50 35.277 1.418 -15.060 1.00 0.00 N ATOM 743 CA VAL A 50 34.249 1.781 -14.106 1.00 0.00 C ATOM 744 C VAL A 50 33.346 0.585 -13.841 1.00 0.00 C ATOM 745 O VAL A 50 32.772 0.019 -14.768 1.00 0.00 O ATOM 746 CB VAL A 50 33.443 2.956 -14.652 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.250 3.223 -13.739 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.328 4.198 -14.708 1.00 0.00 C ATOM 0 H VAL A 50 34.978 1.455 -16.034 1.00 0.00 H new ATOM 0 HA VAL A 50 34.710 2.079 -13.164 1.00 0.00 H new ATOM 0 HB VAL A 50 33.087 2.717 -15.654 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.674 4.062 -14.129 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.617 2.336 -13.699 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.605 3.461 -12.736 1.00 0.00 H new ATOM 0 HG21 VAL A 50 33.753 5.038 -15.098 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.684 4.437 -13.706 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.180 4.008 -15.360 1.00 0.00 H new ATOM 758 N THR A 51 33.222 0.200 -12.568 1.00 0.00 N ATOM 759 CA THR A 51 32.390 -0.925 -12.192 1.00 0.00 C ATOM 760 C THR A 51 31.251 -0.452 -11.299 1.00 0.00 C ATOM 761 O THR A 51 31.451 0.386 -10.423 1.00 0.00 O ATOM 762 CB THR A 51 33.241 -1.969 -11.475 1.00 0.00 C ATOM 763 OG1 THR A 51 33.263 -1.689 -10.093 1.00 0.00 O ATOM 764 CG2 THR A 51 34.664 -1.929 -12.024 1.00 0.00 C ATOM 0 H THR A 51 33.691 0.657 -11.786 1.00 0.00 H new ATOM 0 HA THR A 51 31.959 -1.377 -13.086 1.00 0.00 H new ATOM 0 HB THR A 51 32.816 -2.959 -11.639 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.495 -0.747 -9.954 1.00 0.00 H new ATOM 0 HG21 THR A 51 35.273 -2.675 -11.512 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.648 -2.145 -13.092 1.00 0.00 H new ATOM 0 HG23 THR A 51 35.089 -0.939 -11.860 1.00 0.00 H new ATOM 772 N LEU A 52 30.052 -0.995 -11.524 1.00 0.00 N ATOM 773 CA LEU A 52 28.888 -0.629 -10.742 1.00 0.00 C ATOM 774 C LEU A 52 28.263 -1.876 -10.133 1.00 0.00 C ATOM 775 O LEU A 52 28.064 -2.874 -10.821 1.00 0.00 O ATOM 776 CB LEU A 52 27.885 0.098 -11.633 1.00 0.00 C ATOM 777 CG LEU A 52 26.940 0.924 -10.766 1.00 0.00 C ATOM 778 CD1 LEU A 52 26.034 1.766 -11.659 1.00 0.00 C ATOM 779 CD2 LEU A 52 26.088 -0.009 -9.911 1.00 0.00 C ATOM 0 H LEU A 52 29.870 -1.692 -12.246 1.00 0.00 H new ATOM 0 HA LEU A 52 29.184 0.038 -9.932 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.409 0.745 -12.336 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.318 -0.622 -12.223 1.00 0.00 H new ATOM 0 HG LEU A 52 27.522 1.580 -10.118 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.359 2.356 -11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.643 2.433 -12.269 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.452 1.111 -12.308 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.413 0.581 -9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 52 25.506 -0.666 -10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.735 -0.610 -9.272 1.00 0.00 H new ATOM 791 N GLU A 53 27.953 -1.816 -8.835 1.00 0.00 N ATOM 792 CA GLU A 53 27.351 -2.938 -8.143 1.00 0.00 C ATOM 793 C GLU A 53 26.008 -2.528 -7.556 1.00 0.00 C ATOM 794 O GLU A 53 25.869 -1.430 -7.022 1.00 0.00 O ATOM 795 CB GLU A 53 28.295 -3.423 -7.046 1.00 0.00 C ATOM 796 CG GLU A 53 28.099 -4.920 -6.831 1.00 0.00 C ATOM 797 CD GLU A 53 28.752 -5.373 -5.533 1.00 0.00 C ATOM 798 OE1 GLU A 53 28.952 -4.497 -4.663 1.00 0.00 O ATOM 799 OE2 GLU A 53 29.040 -6.585 -5.435 1.00 0.00 O ATOM 0 H GLU A 53 28.113 -0.997 -8.249 1.00 0.00 H new ATOM 0 HA GLU A 53 27.181 -3.753 -8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 53 29.329 -3.217 -7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 53 28.100 -2.883 -6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 53 27.034 -5.152 -6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 53 28.526 -5.471 -7.669 1.00 0.00 H new ATOM 806 N THR A 54 25.017 -3.416 -7.657 1.00 0.00 N ATOM 807 CA THR A 54 23.693 -3.141 -7.135 1.00 0.00 C ATOM 808 C THR A 54 23.153 -4.370 -6.418 1.00 0.00 C ATOM 809 O THR A 54 23.137 -5.463 -6.979 1.00 0.00 O ATOM 810 CB THR A 54 22.770 -2.734 -8.280 1.00 0.00 C ATOM 811 OG1 THR A 54 23.545 -2.356 -9.396 1.00 0.00 O ATOM 812 CG2 THR A 54 21.904 -1.556 -7.841 1.00 0.00 C ATOM 0 H THR A 54 25.115 -4.331 -8.098 1.00 0.00 H new ATOM 0 HA THR A 54 23.745 -2.322 -6.418 1.00 0.00 H new ATOM 0 HB THR A 54 22.131 -3.575 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.453 -3.030 -10.102 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.244 -1.265 -8.658 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.305 -1.846 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.543 -0.715 -7.573 1.00 0.00 H new ATOM 820 N ILE A 55 22.708 -4.186 -5.173 1.00 0.00 N ATOM 821 CA ILE A 55 22.168 -5.275 -4.384 1.00 0.00 C ATOM 822 C ILE A 55 21.496 -4.721 -3.135 1.00 0.00 C ATOM 823 O ILE A 55 21.591 -3.529 -2.854 1.00 0.00 O ATOM 824 CB ILE A 55 23.290 -6.240 -4.013 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.606 -5.475 -3.909 1.00 0.00 C ATOM 826 CG2 ILE A 55 23.411 -7.316 -5.088 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.435 -4.296 -2.955 1.00 0.00 C ATOM 0 H ILE A 55 22.715 -3.285 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 55 21.421 -5.816 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 55 23.065 -6.707 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.395 -6.135 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.911 -5.119 -4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.212 -8.006 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.471 -7.863 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.636 -6.849 -6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.375 -3.749 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.658 -3.632 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.150 -4.664 -1.969 1.00 0.00 H new ATOM 839 N CYS A 56 20.816 -5.592 -2.385 1.00 0.00 N ATOM 840 CA CYS A 56 20.133 -5.187 -1.172 1.00 0.00 C ATOM 841 C CYS A 56 21.093 -5.260 0.007 1.00 0.00 C ATOM 842 O CYS A 56 21.186 -6.289 0.672 1.00 0.00 O ATOM 843 CB CYS A 56 18.925 -6.091 -0.943 1.00 0.00 C ATOM 844 SG CYS A 56 17.393 -5.194 -0.587 1.00 0.00 S ATOM 0 H CYS A 56 20.729 -6.584 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 56 19.786 -4.158 -1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 56 18.775 -6.710 -1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 56 19.140 -6.765 -0.114 1.00 0.00 H new ATOM 849 N HIS A 57 21.808 -4.162 0.266 1.00 0.00 N ATOM 850 CA HIS A 57 22.755 -4.112 1.361 1.00 0.00 C ATOM 851 C HIS A 57 22.289 -3.107 2.406 1.00 0.00 C ATOM 852 O HIS A 57 21.795 -2.035 2.064 1.00 0.00 O ATOM 853 CB HIS A 57 24.132 -3.732 0.824 1.00 0.00 C ATOM 854 CG HIS A 57 25.023 -3.135 1.878 1.00 0.00 C ATOM 855 ND1 HIS A 57 25.938 -3.816 2.649 1.00 0.00 N ATOM 856 CD2 HIS A 57 25.069 -1.817 2.244 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.522 -2.918 3.463 1.00 0.00 C ATOM 858 NE2 HIS A 57 26.026 -1.687 3.254 1.00 0.00 N ATOM 0 H HIS A 57 21.742 -3.299 -0.274 1.00 0.00 H new ATOM 0 HA HIS A 57 22.819 -5.092 1.834 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.612 -4.618 0.408 1.00 0.00 H new ATOM 0 HB3 HIS A 57 24.015 -3.020 0.007 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.472 -1.020 1.827 1.00 0.00 H new ATOM 0 HE1 HIS A 57 27.287 -3.155 4.187 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.294 -0.829 3.736 1.00 0.00 H new ATOM 866 N ASP A 58 22.449 -3.457 3.684 1.00 0.00 N ATOM 867 CA ASP A 58 22.044 -2.588 4.771 1.00 0.00 C ATOM 868 C ASP A 58 23.048 -1.454 4.924 1.00 0.00 C ATOM 869 O ASP A 58 24.254 -1.690 4.952 1.00 0.00 O ATOM 870 CB ASP A 58 21.943 -3.399 6.059 1.00 0.00 C ATOM 871 CG ASP A 58 20.489 -3.651 6.430 1.00 0.00 C ATOM 872 OD1 ASP A 58 19.802 -4.310 5.620 1.00 0.00 O ATOM 873 OD2 ASP A 58 20.091 -3.179 7.517 1.00 0.00 O ATOM 0 H ASP A 58 22.859 -4.342 3.984 1.00 0.00 H new ATOM 0 HA ASP A 58 21.067 -2.156 4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.461 -4.350 5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.442 -2.867 6.869 1.00 0.00 H new ATOM 878 N PRO A 59 22.548 -0.220 5.024 1.00 0.00 N ATOM 879 CA PRO A 59 23.349 0.975 5.177 1.00 0.00 C ATOM 880 C PRO A 59 23.934 1.022 6.581 1.00 0.00 C ATOM 881 O PRO A 59 24.135 2.100 7.137 1.00 0.00 O ATOM 882 CB PRO A 59 22.377 2.130 4.950 1.00 0.00 C ATOM 883 CG PRO A 59 21.047 1.553 5.434 1.00 0.00 C ATOM 884 CD PRO A 59 21.136 0.093 4.996 1.00 0.00 C ATOM 0 HA PRO A 59 24.188 1.015 4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.663 3.017 5.516 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.333 2.422 3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.934 1.646 6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.196 2.061 4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.574 -0.556 5.668 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.721 -0.046 3.998 1.00 0.00 H new ATOM 892 N GLN A 60 24.205 -0.152 7.156 1.00 0.00 N ATOM 893 CA GLN A 60 24.761 -0.239 8.491 1.00 0.00 C ATOM 894 C GLN A 60 26.262 -0.483 8.411 1.00 0.00 C ATOM 895 O GLN A 60 27.044 0.231 9.034 1.00 0.00 O ATOM 896 CB GLN A 60 24.070 -1.363 9.257 1.00 0.00 C ATOM 897 CG GLN A 60 24.045 -1.027 10.745 1.00 0.00 C ATOM 898 CD GLN A 60 22.673 -1.307 11.341 1.00 0.00 C ATOM 899 OE1 GLN A 60 22.333 -2.458 11.606 1.00 0.00 O ATOM 900 NE2 GLN A 60 21.885 -0.251 11.552 1.00 0.00 N ATOM 0 H GLN A 60 24.044 -1.054 6.708 1.00 0.00 H new ATOM 0 HA GLN A 60 24.594 0.699 9.020 1.00 0.00 H new ATOM 0 HB2 GLN A 60 23.054 -1.498 8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.596 -2.304 9.095 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.800 -1.615 11.267 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.302 0.022 10.889 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.213 0.685 11.315 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.955 -0.380 11.950 1.00 0.00 H new ATOM 909 N LYS A 61 26.662 -1.498 7.641 1.00 0.00 N ATOM 910 CA LYS A 61 28.063 -1.830 7.483 1.00 0.00 C ATOM 911 C LYS A 61 28.665 -1.014 6.347 1.00 0.00 C ATOM 912 O LYS A 61 28.044 -0.851 5.300 1.00 0.00 O ATOM 913 CB LYS A 61 28.203 -3.324 7.208 1.00 0.00 C ATOM 914 CG LYS A 61 27.486 -4.112 8.302 1.00 0.00 C ATOM 915 CD LYS A 61 27.562 -5.603 7.989 1.00 0.00 C ATOM 916 CE LYS A 61 26.241 -6.269 8.361 1.00 0.00 C ATOM 917 NZ LYS A 61 25.619 -6.900 7.186 1.00 0.00 N ATOM 0 H LYS A 61 26.026 -2.101 7.119 1.00 0.00 H new ATOM 0 HA LYS A 61 28.602 -1.590 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.780 -3.567 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.257 -3.602 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.944 -3.909 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.445 -3.796 8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.771 -5.753 6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 61 28.381 -6.061 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 61 26.413 -7.019 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 61 25.562 -5.528 8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.722 -7.346 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 25.435 -6.178 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 26.260 -7.623 6.800 1.00 0.00 H new ATOM 931 N ARG A 62 29.879 -0.502 6.559 1.00 0.00 N ATOM 932 CA ARG A 62 30.558 0.294 5.556 1.00 0.00 C ATOM 933 C ARG A 62 31.098 -0.611 4.458 1.00 0.00 C ATOM 934 O ARG A 62 31.958 -1.453 4.712 1.00 0.00 O ATOM 935 CB ARG A 62 31.689 1.081 6.213 1.00 0.00 C ATOM 936 CG ARG A 62 32.141 0.360 7.479 1.00 0.00 C ATOM 937 CD ARG A 62 31.105 0.567 8.580 1.00 0.00 C ATOM 938 NE ARG A 62 31.681 1.290 9.714 1.00 0.00 N ATOM 939 CZ ARG A 62 32.448 0.698 10.639 1.00 0.00 C ATOM 940 NH1 ARG A 62 32.717 -0.612 10.548 1.00 0.00 N ATOM 941 NH2 ARG A 62 32.946 1.414 11.657 1.00 0.00 N ATOM 0 H ARG A 62 30.407 -0.630 7.422 1.00 0.00 H new ATOM 0 HA ARG A 62 29.856 0.997 5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.525 1.183 5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 62 31.352 2.089 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 62 32.267 -0.704 7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 62 33.110 0.741 7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 62 30.255 1.122 8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.727 -0.399 8.914 1.00 0.00 H new ATOM 0 HE ARG A 62 31.490 2.288 9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 62 32.338 -1.158 9.774 1.00 0.00 H new ATOM 0 HH12 ARG A 62 33.301 -1.063 11.252 1.00 0.00 H new ATOM 0 HH21 ARG A 62 32.741 2.411 11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 62 33.530 0.962 12.361 1.00 0.00 H new ATOM 955 N LEU A 63 30.592 -0.436 3.235 1.00 0.00 N ATOM 956 CA LEU A 63 31.025 -1.236 2.107 1.00 0.00 C ATOM 957 C LEU A 63 32.243 -0.594 1.456 1.00 0.00 C ATOM 958 O LEU A 63 32.305 0.625 1.315 1.00 0.00 O ATOM 959 CB LEU A 63 29.881 -1.362 1.105 1.00 0.00 C ATOM 960 CG LEU A 63 30.379 -2.079 -0.147 1.00 0.00 C ATOM 961 CD1 LEU A 63 30.259 -3.588 0.048 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.536 -1.652 -1.346 1.00 0.00 C ATOM 0 H LEU A 63 29.879 0.258 3.009 1.00 0.00 H new ATOM 0 HA LEU A 63 31.303 -2.233 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 63 29.053 -1.915 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.501 -0.374 0.845 1.00 0.00 H new ATOM 0 HG LEU A 63 31.422 -1.818 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 63 30.615 -4.100 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 63 30.860 -3.893 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 63 29.216 -3.850 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.891 -2.163 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.493 -1.913 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.622 -0.574 -1.486 1.00 0.00 H new ATOM 974 N TYR A 64 33.213 -1.420 1.058 1.00 0.00 N ATOM 975 CA TYR A 64 34.422 -0.930 0.427 1.00 0.00 C ATOM 976 C TYR A 64 35.027 0.185 1.268 1.00 0.00 C ATOM 977 O TYR A 64 35.754 1.031 0.753 1.00 0.00 O ATOM 978 CB TYR A 64 34.094 -0.431 -0.977 1.00 0.00 C ATOM 979 CG TYR A 64 33.402 -1.462 -1.837 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.995 -2.713 -2.043 1.00 0.00 C ATOM 981 CD2 TYR A 64 32.168 -1.166 -2.428 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.353 -3.669 -2.840 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.527 -2.121 -3.226 1.00 0.00 C ATOM 984 CZ TYR A 64 32.119 -3.372 -3.432 1.00 0.00 C ATOM 985 OH TYR A 64 31.495 -4.303 -4.209 1.00 0.00 O ATOM 0 H TYR A 64 33.176 -2.434 1.166 1.00 0.00 H new ATOM 0 HA TYR A 64 35.151 -1.737 0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.460 0.452 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 64 35.016 -0.120 -1.468 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.947 -2.941 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.710 -0.201 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 64 33.809 -4.635 -2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.575 -1.892 -3.683 1.00 0.00 H new ATOM 0 HH TYR A 64 30.524 -4.221 -4.102 1.00 0.00 H new ATOM 995 N GLY A 65 34.726 0.183 2.569 1.00 0.00 N ATOM 996 CA GLY A 65 35.243 1.194 3.471 1.00 0.00 C ATOM 997 C GLY A 65 34.461 2.490 3.314 1.00 0.00 C ATOM 998 O GLY A 65 34.932 3.556 3.704 1.00 0.00 O ATOM 0 H GLY A 65 34.126 -0.512 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.175 0.842 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.298 1.371 3.264 1.00 0.00 H new ATOM 1002 N HIS A 66 33.260 2.396 2.739 1.00 0.00 N ATOM 1003 CA HIS A 66 32.421 3.560 2.532 1.00 0.00 C ATOM 1004 C HIS A 66 31.119 3.407 3.306 1.00 0.00 C ATOM 1005 O HIS A 66 30.661 2.292 3.544 1.00 0.00 O ATOM 1006 CB HIS A 66 32.146 3.729 1.040 1.00 0.00 C ATOM 1007 CG HIS A 66 33.392 3.620 0.205 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.686 3.632 0.672 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.442 3.492 -1.157 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.498 3.513 -0.394 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.787 3.424 -1.531 1.00 0.00 N ATOM 0 H HIS A 66 32.853 1.520 2.411 1.00 0.00 H new ATOM 0 HA HIS A 66 32.933 4.450 2.898 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.431 2.972 0.718 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.682 4.700 0.868 1.00 0.00 H new ATOM 0 HD1 HIS A 66 34.976 3.716 1.646 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.593 3.451 -1.824 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.577 3.492 -0.343 1.00 0.00 H new ATOM 1019 N MET A 67 30.523 4.535 3.700 1.00 0.00 N ATOM 1020 CA MET A 67 29.280 4.520 4.445 1.00 0.00 C ATOM 1021 C MET A 67 28.209 5.287 3.683 1.00 0.00 C ATOM 1022 O MET A 67 28.401 6.452 3.340 1.00 0.00 O ATOM 1023 CB MET A 67 29.507 5.135 5.823 1.00 0.00 C ATOM 1024 CG MET A 67 30.522 6.270 5.713 1.00 0.00 C ATOM 1025 SD MET A 67 29.934 7.849 6.372 1.00 0.00 S ATOM 1026 CE MET A 67 30.879 7.888 7.916 1.00 0.00 C ATOM 0 H MET A 67 30.889 5.468 3.511 1.00 0.00 H new ATOM 0 HA MET A 67 28.941 3.492 4.570 1.00 0.00 H new ATOM 0 HB2 MET A 67 28.566 5.512 6.224 1.00 0.00 H new ATOM 0 HB3 MET A 67 29.868 4.376 6.517 1.00 0.00 H new ATOM 0 HG2 MET A 67 31.431 5.983 6.242 1.00 0.00 H new ATOM 0 HG3 MET A 67 30.791 6.403 4.665 1.00 0.00 H new ATOM 0 HE1 MET A 67 30.644 8.801 8.464 1.00 0.00 H new ATOM 0 HE2 MET A 67 30.618 7.022 8.524 1.00 0.00 H new ATOM 0 HE3 MET A 67 31.945 7.865 7.691 1.00 0.00 H new ATOM 1036 N LEU A 68 27.078 4.629 3.419 1.00 0.00 N ATOM 1037 CA LEU A 68 25.982 5.249 2.700 1.00 0.00 C ATOM 1038 C LEU A 68 25.362 6.347 3.552 1.00 0.00 C ATOM 1039 O LEU A 68 25.265 6.212 4.770 1.00 0.00 O ATOM 1040 CB LEU A 68 24.944 4.189 2.344 1.00 0.00 C ATOM 1041 CG LEU A 68 25.652 2.909 1.912 1.00 0.00 C ATOM 1042 CD1 LEU A 68 24.704 1.724 2.072 1.00 0.00 C ATOM 1043 CD2 LEU A 68 26.075 3.029 0.451 1.00 0.00 C ATOM 0 H LEU A 68 26.905 3.663 3.697 1.00 0.00 H new ATOM 0 HA LEU A 68 26.354 5.698 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.302 3.990 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.300 4.550 1.542 1.00 0.00 H new ATOM 0 HG LEU A 68 26.534 2.755 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.210 0.809 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.403 1.637 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.821 1.878 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.581 2.114 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.194 3.184 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.753 3.875 0.337 1.00 0.00 H new ATOM 1055 N ASP A 69 24.939 7.437 2.907 1.00 0.00 N ATOM 1056 CA ASP A 69 24.332 8.552 3.607 1.00 0.00 C ATOM 1057 C ASP A 69 23.112 9.039 2.838 1.00 0.00 C ATOM 1058 O ASP A 69 23.128 10.129 2.272 1.00 0.00 O ATOM 1059 CB ASP A 69 25.356 9.672 3.763 1.00 0.00 C ATOM 1060 CG ASP A 69 25.913 9.706 5.179 1.00 0.00 C ATOM 1061 OD1 ASP A 69 25.274 10.369 6.025 1.00 0.00 O ATOM 1062 OD2 ASP A 69 26.967 9.068 5.389 1.00 0.00 O ATOM 0 H ASP A 69 25.010 7.563 1.897 1.00 0.00 H new ATOM 0 HA ASP A 69 24.009 8.233 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 69 26.169 9.528 3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 69 24.892 10.630 3.527 1.00 0.00 H new ATOM 1067 N ASP A 70 22.053 8.226 2.818 1.00 0.00 N ATOM 1068 CA ASP A 70 20.833 8.578 2.119 1.00 0.00 C ATOM 1069 C ASP A 70 19.906 7.372 2.063 1.00 0.00 C ATOM 1070 O ASP A 70 19.053 7.283 1.183 1.00 0.00 O ATOM 1071 CB ASP A 70 21.176 9.062 0.713 1.00 0.00 C ATOM 1072 CG ASP A 70 20.911 10.554 0.572 1.00 0.00 C ATOM 1073 OD1 ASP A 70 20.895 11.229 1.623 1.00 0.00 O ATOM 1074 OD2 ASP A 70 20.728 10.991 -0.585 1.00 0.00 O ATOM 0 H ASP A 70 22.024 7.318 3.282 1.00 0.00 H new ATOM 0 HA ASP A 70 20.322 9.380 2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.224 8.853 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 70 20.584 8.513 -0.019 1.00 0.00 H new ATOM 1079 N SER A 71 20.074 6.443 3.007 1.00 0.00 N ATOM 1080 CA SER A 71 19.252 5.251 3.060 1.00 0.00 C ATOM 1081 C SER A 71 17.851 5.610 3.533 1.00 0.00 C ATOM 1082 O SER A 71 16.868 5.042 3.062 1.00 0.00 O ATOM 1083 CB SER A 71 19.895 4.232 3.998 1.00 0.00 C ATOM 1084 OG SER A 71 19.947 4.763 5.303 1.00 0.00 O ATOM 0 H SER A 71 20.777 6.502 3.744 1.00 0.00 H new ATOM 0 HA SER A 71 19.176 4.813 2.065 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.322 3.305 3.994 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.900 3.987 3.653 1.00 0.00 H new ATOM 0 HG SER A 71 20.358 4.109 5.906 1.00 0.00 H new ATOM 1090 N SER A 72 17.761 6.559 4.468 1.00 0.00 N ATOM 1091 CA SER A 72 16.483 6.990 4.997 1.00 0.00 C ATOM 1092 C SER A 72 15.843 7.994 4.048 1.00 0.00 C ATOM 1093 O SER A 72 14.639 8.233 4.112 1.00 0.00 O ATOM 1094 CB SER A 72 16.687 7.606 6.378 1.00 0.00 C ATOM 1095 OG SER A 72 17.433 8.797 6.256 1.00 0.00 O ATOM 0 H SER A 72 18.566 7.040 4.870 1.00 0.00 H new ATOM 0 HA SER A 72 15.816 6.133 5.090 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.723 7.814 6.841 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.208 6.903 7.028 1.00 0.00 H new ATOM 0 HG SER A 72 17.563 9.194 7.143 1.00 0.00 H new ATOM 1101 N SER A 73 16.653 8.581 3.164 1.00 0.00 N ATOM 1102 CA SER A 73 16.163 9.552 2.207 1.00 0.00 C ATOM 1103 C SER A 73 15.473 8.838 1.054 1.00 0.00 C ATOM 1104 O SER A 73 15.779 7.684 0.760 1.00 0.00 O ATOM 1105 CB SER A 73 17.328 10.398 1.700 1.00 0.00 C ATOM 1106 OG SER A 73 17.146 11.737 2.102 1.00 0.00 O ATOM 0 H SER A 73 17.654 8.394 3.098 1.00 0.00 H new ATOM 0 HA SER A 73 15.437 10.208 2.688 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.269 10.014 2.094 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.389 10.338 0.613 1.00 0.00 H new ATOM 0 HG SER A 73 17.895 12.280 1.778 1.00 0.00 H new ATOM 1112 N GLU A 74 14.537 9.528 0.397 1.00 0.00 N ATOM 1113 CA GLU A 74 13.812 8.957 -0.720 1.00 0.00 C ATOM 1114 C GLU A 74 14.669 9.008 -1.976 1.00 0.00 C ATOM 1115 O GLU A 74 14.369 8.341 -2.964 1.00 0.00 O ATOM 1116 CB GLU A 74 12.508 9.724 -0.923 1.00 0.00 C ATOM 1117 CG GLU A 74 11.369 8.737 -1.163 1.00 0.00 C ATOM 1118 CD GLU A 74 10.700 8.996 -2.505 1.00 0.00 C ATOM 1119 OE1 GLU A 74 9.900 9.955 -2.565 1.00 0.00 O ATOM 1120 OE2 GLU A 74 11.000 8.230 -3.446 1.00 0.00 O ATOM 0 H GLU A 74 14.269 10.485 0.627 1.00 0.00 H new ATOM 0 HA GLU A 74 13.577 7.914 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.294 10.337 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.601 10.402 -1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.754 7.718 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.634 8.823 -0.363 1.00 0.00 H new ATOM 1127 N GLN A 75 15.740 9.803 -1.936 1.00 0.00 N ATOM 1128 CA GLN A 75 16.635 9.938 -3.068 1.00 0.00 C ATOM 1129 C GLN A 75 18.036 9.490 -2.676 1.00 0.00 C ATOM 1130 O GLN A 75 18.614 10.012 -1.725 1.00 0.00 O ATOM 1131 CB GLN A 75 16.643 11.390 -3.537 1.00 0.00 C ATOM 1132 CG GLN A 75 16.904 11.439 -5.040 1.00 0.00 C ATOM 1133 CD GLN A 75 15.987 12.447 -5.717 1.00 0.00 C ATOM 1134 OE1 GLN A 75 15.705 13.506 -5.160 1.00 0.00 O ATOM 1135 NE2 GLN A 75 15.520 12.115 -6.923 1.00 0.00 N ATOM 0 H GLN A 75 16.002 10.362 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 75 16.290 9.306 -3.887 1.00 0.00 H new ATOM 0 HB2 GLN A 75 15.688 11.862 -3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 75 17.412 11.951 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 75 17.944 11.707 -5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 75 16.748 10.451 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.783 11.224 -7.344 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.900 12.752 -7.423 1.00 0.00 H new ATOM 1144 N CYS A 76 18.581 8.519 -3.413 1.00 0.00 N ATOM 1145 CA CYS A 76 19.908 8.006 -3.141 1.00 0.00 C ATOM 1146 C CYS A 76 20.949 8.886 -3.819 1.00 0.00 C ATOM 1147 O CYS A 76 20.857 9.151 -5.015 1.00 0.00 O ATOM 1148 CB CYS A 76 20.009 6.567 -3.640 1.00 0.00 C ATOM 1149 SG CYS A 76 21.214 5.560 -2.740 1.00 0.00 S ATOM 0 H CYS A 76 18.114 8.076 -4.204 1.00 0.00 H new ATOM 0 HA CYS A 76 20.094 8.018 -2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 76 19.029 6.097 -3.564 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.276 6.577 -4.697 1.00 0.00 H new ATOM 1154 N VAL A 77 21.942 9.340 -3.050 1.00 0.00 N ATOM 1155 CA VAL A 77 22.993 10.186 -3.577 1.00 0.00 C ATOM 1156 C VAL A 77 24.324 9.452 -3.517 1.00 0.00 C ATOM 1157 O VAL A 77 24.601 8.741 -2.553 1.00 0.00 O ATOM 1158 CB VAL A 77 23.053 11.482 -2.774 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.904 11.269 -1.526 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.672 12.583 -3.631 1.00 0.00 C ATOM 0 H VAL A 77 22.032 9.129 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 77 22.782 10.429 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 77 22.045 11.774 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.947 12.195 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.462 10.483 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.912 10.977 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.715 13.509 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.680 12.291 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.063 12.736 -4.522 1.00 0.00 H new ATOM 1170 N MET A 78 25.151 9.625 -4.551 1.00 0.00 N ATOM 1171 CA MET A 78 26.446 8.977 -4.609 1.00 0.00 C ATOM 1172 C MET A 78 27.431 9.708 -3.708 1.00 0.00 C ATOM 1173 O MET A 78 27.698 10.892 -3.904 1.00 0.00 O ATOM 1174 CB MET A 78 26.942 8.962 -6.051 1.00 0.00 C ATOM 1175 CG MET A 78 26.033 8.071 -6.893 1.00 0.00 C ATOM 1176 SD MET A 78 25.530 6.543 -6.065 1.00 0.00 S ATOM 1177 CE MET A 78 26.847 5.448 -6.652 1.00 0.00 C ATOM 0 H MET A 78 24.938 10.212 -5.358 1.00 0.00 H new ATOM 0 HA MET A 78 26.358 7.949 -4.258 1.00 0.00 H new ATOM 0 HB2 MET A 78 26.951 9.975 -6.454 1.00 0.00 H new ATOM 0 HB3 MET A 78 27.967 8.594 -6.090 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.141 8.635 -7.167 1.00 0.00 H new ATOM 0 HG3 MET A 78 26.547 7.818 -7.820 1.00 0.00 H new ATOM 0 HE1 MET A 78 27.116 4.747 -5.862 1.00 0.00 H new ATOM 0 HE2 MET A 78 26.499 4.895 -7.525 1.00 0.00 H new ATOM 0 HE3 MET A 78 27.720 6.042 -6.923 1.00 0.00 H new ATOM 1187 N LYS A 79 27.974 8.997 -2.716 1.00 0.00 N ATOM 1188 CA LYS A 79 28.926 9.580 -1.792 1.00 0.00 C ATOM 1189 C LYS A 79 30.344 9.238 -2.226 1.00 0.00 C ATOM 1190 O LYS A 79 30.645 8.085 -2.525 1.00 0.00 O ATOM 1191 CB LYS A 79 28.651 9.059 -0.384 1.00 0.00 C ATOM 1192 CG LYS A 79 27.859 10.102 0.398 1.00 0.00 C ATOM 1193 CD LYS A 79 28.825 11.040 1.117 1.00 0.00 C ATOM 1194 CE LYS A 79 28.038 12.154 1.802 1.00 0.00 C ATOM 1195 NZ LYS A 79 27.773 11.823 3.211 1.00 0.00 N ATOM 0 H LYS A 79 27.764 8.015 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 79 28.820 10.665 -1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.092 8.124 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.590 8.843 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 79 27.219 10.670 -0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 79 27.206 9.612 1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 79 29.407 10.485 1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 79 29.533 11.465 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 79 28.597 13.088 1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 79 27.095 12.313 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 26.796 12.087 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 27.902 10.801 3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 28.434 12.346 3.821 1.00 0.00 H new ATOM 1209 N GLU A 80 31.218 10.247 -2.259 1.00 0.00 N ATOM 1210 CA GLU A 80 32.597 10.048 -2.654 1.00 0.00 C ATOM 1211 C GLU A 80 33.441 9.697 -1.437 1.00 0.00 C ATOM 1212 O GLU A 80 33.619 10.519 -0.541 1.00 0.00 O ATOM 1213 CB GLU A 80 33.120 11.314 -3.327 1.00 0.00 C ATOM 1214 CG GLU A 80 33.168 12.449 -2.309 1.00 0.00 C ATOM 1215 CD GLU A 80 33.058 13.802 -2.997 1.00 0.00 C ATOM 1216 OE1 GLU A 80 32.007 14.032 -3.632 1.00 0.00 O ATOM 1217 OE2 GLU A 80 34.029 14.581 -2.876 1.00 0.00 O ATOM 0 H GLU A 80 30.985 11.209 -2.014 1.00 0.00 H new ATOM 0 HA GLU A 80 32.659 9.222 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.114 11.137 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.475 11.587 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.355 12.334 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.100 12.398 -1.745 1.00 0.00 H new ATOM 1224 N LYS A 81 33.962 8.468 -1.407 1.00 0.00 N ATOM 1225 CA LYS A 81 34.784 8.014 -0.302 1.00 0.00 C ATOM 1226 C LYS A 81 36.236 7.913 -0.745 1.00 0.00 C ATOM 1227 O LYS A 81 36.519 7.773 -1.933 1.00 0.00 O ATOM 1228 CB LYS A 81 34.273 6.663 0.188 1.00 0.00 C ATOM 1229 CG LYS A 81 32.945 6.855 0.915 1.00 0.00 C ATOM 1230 CD LYS A 81 31.803 6.842 -0.097 1.00 0.00 C ATOM 1231 CE LYS A 81 30.473 6.700 0.637 1.00 0.00 C ATOM 1232 NZ LYS A 81 30.414 7.599 1.800 1.00 0.00 N ATOM 0 H LYS A 81 33.824 7.774 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 81 34.725 8.730 0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.144 5.984 -0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 81 35.003 6.207 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.803 6.062 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 81 32.950 7.798 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 81 31.811 7.762 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 81 31.933 6.017 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 81 29.652 6.926 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.342 5.668 0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.436 7.650 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 31.032 7.234 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 30.732 8.549 1.521 1.00 0.00 H new ATOM 1246 N LYS A 82 37.160 7.984 0.217 1.00 0.00 N ATOM 1247 CA LYS A 82 38.576 7.901 -0.077 1.00 0.00 C ATOM 1248 C LYS A 82 38.867 6.633 -0.869 1.00 0.00 C ATOM 1249 O LYS A 82 38.895 5.540 -0.308 1.00 0.00 O ATOM 1250 CB LYS A 82 39.368 7.916 1.227 1.00 0.00 C ATOM 1251 CG LYS A 82 38.960 6.721 2.083 1.00 0.00 C ATOM 1252 CD LYS A 82 38.613 7.197 3.491 1.00 0.00 C ATOM 1253 CE LYS A 82 37.916 6.072 4.251 1.00 0.00 C ATOM 1254 NZ LYS A 82 38.006 6.282 5.704 1.00 0.00 N ATOM 0 H LYS A 82 36.942 8.099 1.207 1.00 0.00 H new ATOM 0 HA LYS A 82 38.876 8.759 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.437 7.878 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.182 8.844 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.103 6.216 1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 82 39.772 5.995 2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 82 39.518 7.500 4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 82 37.965 8.072 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 82 36.869 6.020 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 82 38.370 5.116 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 37.525 5.504 6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 39.006 6.308 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 37.552 7.184 5.953 1.00 0.00 H new ATOM 1268 N ASP A 83 39.084 6.783 -2.177 1.00 0.00 N ATOM 1269 CA ASP A 83 39.370 5.654 -3.039 1.00 0.00 C ATOM 1270 C ASP A 83 40.695 5.874 -3.754 1.00 0.00 C ATOM 1271 O ASP A 83 40.815 6.778 -4.579 1.00 0.00 O ATOM 1272 CB ASP A 83 38.235 5.482 -4.044 1.00 0.00 C ATOM 1273 CG ASP A 83 36.910 5.246 -3.333 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.873 4.320 -2.494 1.00 0.00 O ATOM 1275 OD2 ASP A 83 35.958 5.995 -3.642 1.00 0.00 O ATOM 0 H ASP A 83 39.065 7.683 -2.656 1.00 0.00 H new ATOM 0 HA ASP A 83 39.449 4.746 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.162 6.370 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.453 4.642 -4.704 1.00 0.00 H new ATOM 1280 N ASP A 84 41.693 5.046 -3.436 1.00 0.00 N ATOM 1281 CA ASP A 84 43.002 5.156 -4.048 1.00 0.00 C ATOM 1282 C ASP A 84 43.075 4.254 -5.272 1.00 0.00 C ATOM 1283 O ASP A 84 42.772 3.066 -5.190 1.00 0.00 O ATOM 1284 CB ASP A 84 44.072 4.774 -3.029 1.00 0.00 C ATOM 1285 CG ASP A 84 44.981 5.956 -2.726 1.00 0.00 C ATOM 1286 OD1 ASP A 84 44.426 7.035 -2.424 1.00 0.00 O ATOM 1287 OD2 ASP A 84 46.213 5.759 -2.801 1.00 0.00 O ATOM 0 H ASP A 84 41.610 4.292 -2.754 1.00 0.00 H new ATOM 0 HA ASP A 84 43.174 6.184 -4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.598 4.430 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 84 44.665 3.943 -3.412 1.00 0.00 H new ATOM 1292 N GLY A 85 43.480 4.822 -6.411 1.00 0.00 N ATOM 1293 CA GLY A 85 43.589 4.064 -7.641 1.00 0.00 C ATOM 1294 C GLY A 85 42.334 4.244 -8.485 1.00 0.00 C ATOM 1295 O GLY A 85 42.303 3.856 -9.650 1.00 0.00 O ATOM 0 H GLY A 85 43.736 5.806 -6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.463 4.393 -8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.734 3.008 -7.414 1.00 0.00 H new ATOM 1299 N GLY A 86 41.296 4.837 -7.890 1.00 0.00 N ATOM 1300 CA GLY A 86 40.047 5.064 -8.589 1.00 0.00 C ATOM 1301 C GLY A 86 39.015 5.664 -7.644 1.00 0.00 C ATOM 1302 O GLY A 86 39.280 5.834 -6.456 1.00 0.00 O ATOM 0 H GLY A 86 41.305 5.166 -6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.211 5.734 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.674 4.124 -8.996 1.00 0.00 H new ATOM 1306 N LEU A 87 37.834 5.985 -8.177 1.00 0.00 N ATOM 1307 CA LEU A 87 36.769 6.564 -7.383 1.00 0.00 C ATOM 1308 C LEU A 87 35.689 5.522 -7.129 1.00 0.00 C ATOM 1309 O LEU A 87 35.359 4.736 -8.014 1.00 0.00 O ATOM 1310 CB LEU A 87 36.191 7.773 -8.113 1.00 0.00 C ATOM 1311 CG LEU A 87 36.747 9.053 -7.496 1.00 0.00 C ATOM 1312 CD1 LEU A 87 36.540 9.022 -5.985 1.00 0.00 C ATOM 1313 CD2 LEU A 87 38.239 9.159 -7.803 1.00 0.00 C ATOM 0 H LEU A 87 37.599 5.850 -9.160 1.00 0.00 H new ATOM 0 HA LEU A 87 37.164 6.891 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.444 7.727 -9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.103 7.766 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 87 36.227 9.914 -7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 87 36.937 9.936 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 87 35.475 8.946 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 87 37.060 8.161 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 87 38.637 10.073 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 87 38.759 8.298 -7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.388 9.182 -8.883 1.00 0.00 H new ATOM 1325 N MET A 88 35.137 5.517 -5.913 1.00 0.00 N ATOM 1326 CA MET A 88 34.101 4.572 -5.549 1.00 0.00 C ATOM 1327 C MET A 88 32.982 5.289 -4.808 1.00 0.00 C ATOM 1328 O MET A 88 33.200 5.844 -3.734 1.00 0.00 O ATOM 1329 CB MET A 88 34.702 3.469 -4.683 1.00 0.00 C ATOM 1330 CG MET A 88 36.024 3.008 -5.289 1.00 0.00 C ATOM 1331 SD MET A 88 36.478 1.309 -4.860 1.00 0.00 S ATOM 1332 CE MET A 88 38.218 1.340 -5.356 1.00 0.00 C ATOM 0 H MET A 88 35.398 6.163 -5.168 1.00 0.00 H new ATOM 0 HA MET A 88 33.682 4.123 -6.450 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.863 3.835 -3.669 1.00 0.00 H new ATOM 0 HB3 MET A 88 34.010 2.630 -4.613 1.00 0.00 H new ATOM 0 HG2 MET A 88 35.964 3.094 -6.374 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.817 3.679 -4.959 1.00 0.00 H new ATOM 0 HE1 MET A 88 38.669 0.366 -5.163 1.00 0.00 H new ATOM 0 HE2 MET A 88 38.289 1.569 -6.419 1.00 0.00 H new ATOM 0 HE3 MET A 88 38.746 2.104 -4.784 1.00 0.00 H new ATOM 1342 N PHE A 89 31.779 5.276 -5.387 1.00 0.00 N ATOM 1343 CA PHE A 89 30.633 5.923 -4.780 1.00 0.00 C ATOM 1344 C PHE A 89 29.614 4.876 -4.353 1.00 0.00 C ATOM 1345 O PHE A 89 29.275 3.984 -5.127 1.00 0.00 O ATOM 1346 CB PHE A 89 30.018 6.903 -5.775 1.00 0.00 C ATOM 1347 CG PHE A 89 30.808 8.181 -5.930 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.085 8.149 -6.502 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.265 9.397 -5.498 1.00 0.00 C ATOM 1350 CE1 PHE A 89 32.819 9.332 -6.644 1.00 0.00 C ATOM 1351 CE2 PHE A 89 30.999 10.581 -5.639 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.276 10.548 -6.213 1.00 0.00 C ATOM 0 H PHE A 89 31.582 4.821 -6.278 1.00 0.00 H new ATOM 0 HA PHE A 89 30.949 6.474 -3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.935 6.417 -6.747 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.006 7.148 -5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.504 7.211 -6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.280 9.422 -5.056 1.00 0.00 H new ATOM 0 HE1 PHE A 89 33.804 9.307 -7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 89 30.581 11.519 -5.305 1.00 0.00 H new ATOM 0 HZ PHE A 89 32.842 11.461 -6.323 1.00 0.00 H new ATOM 1362 N MET A 90 29.126 4.986 -3.115 1.00 0.00 N ATOM 1363 CA MET A 90 28.152 4.049 -2.594 1.00 0.00 C ATOM 1364 C MET A 90 26.975 4.806 -1.993 1.00 0.00 C ATOM 1365 O MET A 90 27.164 5.755 -1.236 1.00 0.00 O ATOM 1366 CB MET A 90 28.814 3.161 -1.544 1.00 0.00 C ATOM 1367 CG MET A 90 29.568 4.031 -0.543 1.00 0.00 C ATOM 1368 SD MET A 90 29.111 3.730 1.182 1.00 0.00 S ATOM 1369 CE MET A 90 29.126 1.921 1.175 1.00 0.00 C ATOM 0 H MET A 90 29.396 5.720 -2.460 1.00 0.00 H new ATOM 0 HA MET A 90 27.779 3.420 -3.403 1.00 0.00 H new ATOM 0 HB2 MET A 90 28.060 2.565 -1.029 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.500 2.462 -2.023 1.00 0.00 H new ATOM 0 HG2 MET A 90 30.638 3.859 -0.660 1.00 0.00 H new ATOM 0 HG3 MET A 90 29.386 5.080 -0.779 1.00 0.00 H new ATOM 0 HE1 MET A 90 28.391 1.548 1.888 1.00 0.00 H new ATOM 0 HE2 MET A 90 28.879 1.559 0.177 1.00 0.00 H new ATOM 0 HE3 MET A 90 30.117 1.564 1.455 1.00 0.00 H new ATOM 1379 N CYS A 91 25.757 4.381 -2.335 1.00 0.00 N ATOM 1380 CA CYS A 91 24.556 5.017 -1.831 1.00 0.00 C ATOM 1381 C CYS A 91 23.492 3.963 -1.557 1.00 0.00 C ATOM 1382 O CYS A 91 23.473 2.916 -2.200 1.00 0.00 O ATOM 1383 CB CYS A 91 24.056 6.038 -2.849 1.00 0.00 C ATOM 1384 SG CYS A 91 22.861 5.371 -4.034 1.00 0.00 S ATOM 0 H CYS A 91 25.585 3.595 -2.962 1.00 0.00 H new ATOM 0 HA CYS A 91 24.777 5.534 -0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 91 23.598 6.872 -2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.910 6.439 -3.396 1.00 0.00 H new ATOM 1389 N SER A 92 22.606 4.242 -0.598 1.00 0.00 N ATOM 1390 CA SER A 92 21.546 3.319 -0.246 1.00 0.00 C ATOM 1391 C SER A 92 20.221 4.064 -0.156 1.00 0.00 C ATOM 1392 O SER A 92 20.197 5.292 -0.127 1.00 0.00 O ATOM 1393 CB SER A 92 21.879 2.645 1.081 1.00 0.00 C ATOM 1394 OG SER A 92 22.309 3.619 2.007 1.00 0.00 O ATOM 0 H SER A 92 22.609 5.105 -0.055 1.00 0.00 H new ATOM 0 HA SER A 92 21.457 2.552 -1.015 1.00 0.00 H new ATOM 0 HB2 SER A 92 21.003 2.123 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.658 1.896 0.936 1.00 0.00 H new ATOM 0 HG SER A 92 21.862 4.470 1.817 1.00 0.00 H new ATOM 1400 N CYS A 93 19.117 3.315 -0.110 1.00 0.00 N ATOM 1401 CA CYS A 93 17.796 3.904 -0.022 1.00 0.00 C ATOM 1402 C CYS A 93 16.752 2.806 0.124 1.00 0.00 C ATOM 1403 O CYS A 93 16.798 1.804 -0.584 1.00 0.00 O ATOM 1404 CB CYS A 93 17.529 4.742 -1.269 1.00 0.00 C ATOM 1405 SG CYS A 93 17.916 3.895 -2.821 1.00 0.00 S ATOM 0 H CYS A 93 19.121 2.295 -0.133 1.00 0.00 H new ATOM 0 HA CYS A 93 17.739 4.551 0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.479 5.036 -1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.116 5.659 -1.211 1.00 0.00 H new ATOM 1410 N THR A 94 15.807 2.998 1.048 1.00 0.00 N ATOM 1411 CA THR A 94 14.760 2.024 1.279 1.00 0.00 C ATOM 1412 C THR A 94 13.727 2.099 0.164 1.00 0.00 C ATOM 1413 O THR A 94 12.780 1.316 0.134 1.00 0.00 O ATOM 1414 CB THR A 94 14.111 2.288 2.635 1.00 0.00 C ATOM 1415 OG1 THR A 94 13.316 3.450 2.557 1.00 0.00 O ATOM 1416 CG2 THR A 94 15.196 2.483 3.689 1.00 0.00 C ATOM 0 H THR A 94 15.753 3.824 1.645 1.00 0.00 H new ATOM 0 HA THR A 94 15.187 1.021 1.283 1.00 0.00 H new ATOM 0 HB THR A 94 13.486 1.438 2.911 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.898 3.619 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.733 2.672 4.657 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.810 1.585 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.821 3.332 3.414 1.00 0.00 H new ATOM 1424 N GLY A 95 13.913 3.046 -0.758 1.00 0.00 N ATOM 1425 CA GLY A 95 12.998 3.217 -1.869 1.00 0.00 C ATOM 1426 C GLY A 95 13.065 2.013 -2.798 1.00 0.00 C ATOM 1427 O GLY A 95 13.760 1.040 -2.511 1.00 0.00 O ATOM 0 H GLY A 95 14.693 3.703 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.981 3.341 -1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.249 4.124 -2.419 1.00 0.00 H new ATOM 1431 N GLU A 96 12.337 2.080 -3.915 1.00 0.00 N ATOM 1432 CA GLU A 96 12.318 0.998 -4.879 1.00 0.00 C ATOM 1433 C GLU A 96 13.315 1.278 -5.994 1.00 0.00 C ATOM 1434 O GLU A 96 13.201 2.280 -6.697 1.00 0.00 O ATOM 1435 CB GLU A 96 10.908 0.843 -5.440 1.00 0.00 C ATOM 1436 CG GLU A 96 10.924 -0.166 -6.585 1.00 0.00 C ATOM 1437 CD GLU A 96 9.512 -0.617 -6.931 1.00 0.00 C ATOM 1438 OE1 GLU A 96 8.685 -0.660 -5.995 1.00 0.00 O ATOM 1439 OE2 GLU A 96 9.287 -0.910 -8.125 1.00 0.00 O ATOM 0 H GLU A 96 11.754 2.878 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 96 12.606 0.067 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.228 0.509 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.538 1.805 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.393 0.280 -7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.528 -1.029 -6.306 1.00 0.00 H new ATOM 1446 N GLU A 97 14.296 0.387 -6.155 1.00 0.00 N ATOM 1447 CA GLU A 97 15.305 0.542 -7.184 1.00 0.00 C ATOM 1448 C GLU A 97 15.999 1.889 -7.032 1.00 0.00 C ATOM 1449 O GLU A 97 16.927 2.200 -7.776 1.00 0.00 O ATOM 1450 CB GLU A 97 14.652 0.423 -8.558 1.00 0.00 C ATOM 1451 CG GLU A 97 14.083 -0.983 -8.730 1.00 0.00 C ATOM 1452 CD GLU A 97 13.070 -1.023 -9.865 1.00 0.00 C ATOM 1453 OE1 GLU A 97 13.512 -0.884 -11.026 1.00 0.00 O ATOM 1454 OE2 GLU A 97 11.872 -1.193 -9.550 1.00 0.00 O ATOM 0 H GLU A 97 14.406 -0.448 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 97 16.055 -0.243 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.859 1.163 -8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.383 0.629 -9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.892 -1.685 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.609 -1.304 -7.802 1.00 0.00 H new ATOM 1461 N CYS A 98 15.546 2.687 -6.063 1.00 0.00 N ATOM 1462 CA CYS A 98 16.123 3.994 -5.816 1.00 0.00 C ATOM 1463 C CYS A 98 17.641 3.902 -5.859 1.00 0.00 C ATOM 1464 O CYS A 98 18.312 4.852 -6.257 1.00 0.00 O ATOM 1465 CB CYS A 98 15.649 4.509 -4.460 1.00 0.00 C ATOM 1466 SG CYS A 98 15.872 3.329 -3.106 1.00 0.00 S ATOM 0 H CYS A 98 14.778 2.442 -5.438 1.00 0.00 H new ATOM 0 HA CYS A 98 15.800 4.692 -6.588 1.00 0.00 H new ATOM 0 HB2 CYS A 98 16.189 5.426 -4.222 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.593 4.770 -4.531 1.00 0.00 H new ATOM 1471 N ASN A 99 18.184 2.754 -5.446 1.00 0.00 N ATOM 1472 CA ASN A 99 19.618 2.547 -5.440 1.00 0.00 C ATOM 1473 C ASN A 99 20.134 2.449 -6.868 1.00 0.00 C ATOM 1474 O ASN A 99 21.143 3.060 -7.211 1.00 0.00 O ATOM 1475 CB ASN A 99 19.943 1.276 -4.659 1.00 0.00 C ATOM 1476 CG ASN A 99 19.566 0.037 -5.458 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.529 0.012 -6.116 1.00 0.00 O ATOM 1478 ND2 ASN A 99 20.413 -0.994 -5.400 1.00 0.00 N ATOM 0 H ASN A 99 17.643 1.957 -5.112 1.00 0.00 H new ATOM 0 HA ASN A 99 20.109 3.392 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 99 21.007 1.252 -4.423 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.406 1.280 -3.711 1.00 0.00 H new ATOM 0 HD21 ASN A 99 20.211 -1.850 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 99 21.262 -0.925 -4.839 1.00 0.00 H new ATOM 1485 N ASP A 100 19.436 1.675 -7.703 1.00 0.00 N ATOM 1486 CA ASP A 100 19.824 1.499 -9.088 1.00 0.00 C ATOM 1487 C ASP A 100 20.221 2.842 -9.686 1.00 0.00 C ATOM 1488 O ASP A 100 21.079 2.903 -10.564 1.00 0.00 O ATOM 1489 CB ASP A 100 18.666 0.881 -9.866 1.00 0.00 C ATOM 1490 CG ASP A 100 17.941 1.935 -10.691 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.545 2.390 -11.687 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.798 2.267 -10.310 1.00 0.00 O ATOM 0 H ASP A 100 18.597 1.162 -7.434 1.00 0.00 H new ATOM 0 HA ASP A 100 20.682 0.829 -9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.042 0.095 -10.522 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.967 0.411 -9.174 1.00 0.00 H new ATOM 1497 N VAL A 101 19.593 3.919 -9.208 1.00 0.00 N ATOM 1498 CA VAL A 101 19.882 5.252 -9.697 1.00 0.00 C ATOM 1499 C VAL A 101 20.919 5.915 -8.801 1.00 0.00 C ATOM 1500 O VAL A 101 20.616 6.293 -7.672 1.00 0.00 O ATOM 1501 CB VAL A 101 18.595 6.071 -9.732 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.605 6.984 -10.954 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.396 5.129 -9.810 1.00 0.00 C ATOM 0 H VAL A 101 18.880 3.884 -8.480 1.00 0.00 H new ATOM 0 HA VAL A 101 20.287 5.194 -10.707 1.00 0.00 H new ATOM 0 HB VAL A 101 18.525 6.676 -8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.686 7.569 -10.979 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.461 7.656 -10.899 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.675 6.380 -11.859 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.476 5.713 -9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.467 4.524 -10.714 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.388 4.477 -8.937 1.00 0.00 H new ATOM 1513 N LEU A 102 22.146 6.055 -9.308 1.00 0.00 N ATOM 1514 CA LEU A 102 23.220 6.671 -8.554 1.00 0.00 C ATOM 1515 C LEU A 102 23.320 8.147 -8.910 1.00 0.00 C ATOM 1516 O LEU A 102 23.731 8.495 -10.015 1.00 0.00 O ATOM 1517 CB LEU A 102 24.531 5.951 -8.857 1.00 0.00 C ATOM 1518 CG LEU A 102 24.403 5.197 -10.178 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.790 4.989 -10.781 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.748 3.842 -9.928 1.00 0.00 C ATOM 0 H LEU A 102 22.413 5.746 -10.243 1.00 0.00 H new ATOM 0 HA LEU A 102 23.014 6.589 -7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.348 6.670 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.772 5.257 -8.052 1.00 0.00 H new ATOM 0 HG LEU A 102 23.789 5.775 -10.869 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.700 4.451 -11.724 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.258 5.957 -10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.404 4.411 -10.091 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.656 3.303 -10.871 1.00 0.00 H new ATOM 0 HD22 LEU A 102 24.361 3.263 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.758 3.990 -9.497 1.00 0.00 H new ATOM 1532 N ILE A 103 22.944 9.016 -7.969 1.00 0.00 N ATOM 1533 CA ILE A 103 22.995 10.448 -8.184 1.00 0.00 C ATOM 1534 C ILE A 103 24.374 10.976 -7.817 1.00 0.00 C ATOM 1535 O ILE A 103 24.866 10.723 -6.719 1.00 0.00 O ATOM 1536 CB ILE A 103 21.915 11.126 -7.345 1.00 0.00 C ATOM 1537 CG1 ILE A 103 20.586 11.085 -8.095 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.308 12.578 -7.087 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.904 9.742 -7.847 1.00 0.00 C ATOM 0 H ILE A 103 22.600 8.742 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 103 22.812 10.669 -9.236 1.00 0.00 H new ATOM 0 HB ILE A 103 21.812 10.602 -6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 103 19.942 11.899 -7.761 1.00 0.00 H new ATOM 0 HG13 ILE A 103 20.754 11.228 -9.162 1.00 0.00 H new ATOM 0 HG21 ILE A 103 21.537 13.063 -6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.257 12.608 -6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 103 22.411 13.101 -8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.955 9.712 -8.382 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.547 8.936 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.723 9.618 -6.779 1.00 0.00 H new ATOM 1551 N PHE A 104 24.999 11.711 -8.739 1.00 0.00 N ATOM 1552 CA PHE A 104 26.317 12.269 -8.506 1.00 0.00 C ATOM 1553 C PHE A 104 26.244 13.789 -8.519 1.00 0.00 C ATOM 1554 O PHE A 104 25.936 14.390 -9.546 1.00 0.00 O ATOM 1555 CB PHE A 104 27.278 11.764 -9.579 1.00 0.00 C ATOM 1556 CG PHE A 104 27.335 10.258 -9.677 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.293 9.557 -10.296 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.431 9.564 -9.151 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.347 8.161 -10.388 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.485 8.168 -9.244 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.443 7.467 -9.862 1.00 0.00 C ATOM 0 H PHE A 104 24.606 11.930 -9.654 1.00 0.00 H new ATOM 0 HA PHE A 104 26.683 11.952 -7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 104 26.979 12.172 -10.544 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.277 12.144 -9.368 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.448 10.093 -10.702 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.235 10.105 -8.674 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.543 7.620 -10.865 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.331 7.632 -8.839 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.485 6.390 -9.933 1.00 0.00 H new ATOM 1571 N SER A 105 26.528 14.411 -7.372 1.00 0.00 N ATOM 1572 CA SER A 105 26.495 15.855 -7.258 1.00 0.00 C ATOM 1573 C SER A 105 27.739 16.345 -6.531 1.00 0.00 C ATOM 1574 O SER A 105 28.067 15.852 -5.454 1.00 0.00 O ATOM 1575 CB SER A 105 25.232 16.276 -6.513 1.00 0.00 C ATOM 1576 OG SER A 105 25.439 16.142 -5.124 1.00 0.00 O ATOM 0 H SER A 105 26.783 13.927 -6.511 1.00 0.00 H new ATOM 0 HA SER A 105 26.481 16.302 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 105 24.981 17.308 -6.756 1.00 0.00 H new ATOM 0 HB3 SER A 105 24.389 15.660 -6.827 1.00 0.00 H new ATOM 0 HG SER A 105 26.322 15.749 -4.961 1.00 0.00 H new ATOM 1582 N ALA A 106 28.433 17.319 -7.124 1.00 0.00 N ATOM 1583 CA ALA A 106 29.635 17.871 -6.532 1.00 0.00 C ATOM 1584 C ALA A 106 29.301 18.525 -5.200 1.00 0.00 C ATOM 1585 O ALA A 106 29.658 18.006 -4.144 1.00 0.00 O ATOM 1586 CB ALA A 106 30.255 18.883 -7.492 1.00 0.00 C ATOM 0 H ALA A 106 28.175 17.738 -8.018 1.00 0.00 H new ATOM 0 HA ALA A 106 30.355 17.073 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 106 31.159 19.299 -7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 106 30.506 18.388 -8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 106 29.543 19.686 -7.684 1.00 0.00 H new