USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 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 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= -1.07 (180deg=-1.89) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.06! C(o=-2.1!,f=-3.7!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -156:sc= -3.97 (180deg=-4.83!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -160:sc= -0.344 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -0.975 (180deg=-1.49) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.28) USER MOD Single : A 53 THR OG1 : rot 89:sc= 0.539 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0459 USER MOD Single : A 57 SER OG : rot 160:sc= -0.0463 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -1.27! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -159:sc= -0.259 (180deg=-1.31!) USER MOD Single : A 76 HIS : no HE2:sc= -4.9! C(o=-4.9!,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 26 N VAL A 3 1.644 13.267 -1.017 1.00 0.00 N ATOM 27 CA VAL A 3 0.943 12.435 0.000 1.00 0.00 C ATOM 28 C VAL A 3 0.639 11.038 -0.551 1.00 0.00 C ATOM 29 O VAL A 3 0.235 10.171 0.193 1.00 0.00 O ATOM 30 CB VAL A 3 -0.387 13.129 0.382 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.163 14.637 0.495 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.478 12.861 -0.669 1.00 0.00 C ATOM 0 HA VAL A 3 1.587 12.331 0.873 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.718 12.723 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.100 15.125 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.584 14.837 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.187 15.026 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.400 13.362 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.153 13.243 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.656 11.788 -0.744 1.00 0.00 H new ATOM 42 N TYR A 4 0.770 10.792 -1.837 1.00 0.00 N ATOM 43 CA TYR A 4 0.400 9.425 -2.329 1.00 0.00 C ATOM 44 C TYR A 4 1.479 8.413 -1.922 1.00 0.00 C ATOM 45 O TYR A 4 1.189 7.356 -1.399 1.00 0.00 O ATOM 46 CB TYR A 4 0.191 9.423 -3.849 1.00 0.00 C ATOM 47 CG TYR A 4 -1.225 9.816 -4.199 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.293 9.022 -3.771 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.470 10.954 -4.980 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.601 9.364 -4.117 1.00 0.00 C ATOM 51 CE2 TYR A 4 -2.781 11.294 -5.329 1.00 0.00 C ATOM 52 CZ TYR A 4 -3.847 10.497 -4.898 1.00 0.00 C ATOM 53 OH TYR A 4 -5.141 10.831 -5.242 1.00 0.00 O ATOM 0 H TYR A 4 1.103 11.450 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.544 9.134 -1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.891 10.115 -4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.407 8.432 -4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.106 8.143 -3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.646 11.568 -5.312 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.425 8.752 -3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.970 12.171 -5.931 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.135 11.646 -5.786 1.00 0.00 H new ATOM 63 N CYS A 5 2.722 8.742 -2.144 1.00 0.00 N ATOM 64 CA CYS A 5 3.818 7.814 -1.753 1.00 0.00 C ATOM 65 C CYS A 5 3.666 7.479 -0.265 1.00 0.00 C ATOM 66 O CYS A 5 3.893 6.362 0.157 1.00 0.00 O ATOM 67 CB CYS A 5 5.177 8.479 -1.992 1.00 0.00 C ATOM 68 SG CYS A 5 5.526 8.504 -3.761 1.00 0.00 S ATOM 0 H CYS A 5 3.025 9.613 -2.579 1.00 0.00 H new ATOM 0 HA CYS A 5 3.762 6.905 -2.351 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.172 9.495 -1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.959 7.934 -1.463 1.00 0.00 H new ATOM 73 N GLU A 6 3.299 8.441 0.534 1.00 0.00 N ATOM 74 CA GLU A 6 3.150 8.186 1.995 1.00 0.00 C ATOM 75 C GLU A 6 2.051 7.146 2.259 1.00 0.00 C ATOM 76 O GLU A 6 2.219 6.261 3.074 1.00 0.00 O ATOM 77 CB GLU A 6 2.801 9.499 2.704 1.00 0.00 C ATOM 78 CG GLU A 6 2.507 9.224 4.181 1.00 0.00 C ATOM 79 CD GLU A 6 2.521 10.541 4.959 1.00 0.00 C ATOM 80 OE1 GLU A 6 2.035 11.525 4.427 1.00 0.00 O ATOM 81 OE2 GLU A 6 3.019 10.543 6.073 1.00 0.00 O ATOM 0 H GLU A 6 3.095 9.396 0.238 1.00 0.00 H new ATOM 0 HA GLU A 6 4.091 7.794 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.627 10.204 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.935 9.960 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.537 8.738 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.251 8.540 4.590 1.00 0.00 H new ATOM 88 N VAL A 7 0.922 7.248 1.609 1.00 0.00 N ATOM 89 CA VAL A 7 -0.168 6.261 1.880 1.00 0.00 C ATOM 90 C VAL A 7 0.163 4.881 1.295 1.00 0.00 C ATOM 91 O VAL A 7 -0.072 3.869 1.926 1.00 0.00 O ATOM 92 CB VAL A 7 -1.506 6.761 1.322 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.609 5.748 1.663 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.844 8.133 1.930 1.00 0.00 C ATOM 0 H VAL A 7 0.707 7.961 0.912 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.252 6.159 2.962 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.434 6.864 0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.562 6.101 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.367 4.783 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.683 5.641 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.795 8.484 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.917 8.043 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.059 8.846 1.677 1.00 0.00 H new ATOM 104 N CYS A 8 0.693 4.813 0.099 1.00 0.00 N ATOM 105 CA CYS A 8 1.016 3.484 -0.501 1.00 0.00 C ATOM 106 C CYS A 8 2.019 2.747 0.372 1.00 0.00 C ATOM 107 O CYS A 8 1.986 1.537 0.478 1.00 0.00 O ATOM 108 CB CYS A 8 1.584 3.694 -1.903 1.00 0.00 C ATOM 109 SG CYS A 8 3.305 4.218 -1.837 1.00 0.00 S ATOM 0 H CYS A 8 0.915 5.619 -0.486 1.00 0.00 H new ATOM 0 HA CYS A 8 0.110 2.881 -0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.505 2.768 -2.473 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.993 4.444 -2.429 1.00 0.00 H new ATOM 114 N GLU A 9 2.898 3.451 1.024 1.00 0.00 N ATOM 115 CA GLU A 9 3.870 2.763 1.907 1.00 0.00 C ATOM 116 C GLU A 9 3.172 2.430 3.223 1.00 0.00 C ATOM 117 O GLU A 9 3.508 1.463 3.876 1.00 0.00 O ATOM 118 CB GLU A 9 5.058 3.686 2.183 1.00 0.00 C ATOM 119 CG GLU A 9 5.882 3.858 0.908 1.00 0.00 C ATOM 120 CD GLU A 9 6.611 2.552 0.590 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.566 2.244 1.285 1.00 0.00 O ATOM 122 OE2 GLU A 9 6.203 1.879 -0.342 1.00 0.00 O ATOM 0 H GLU A 9 2.984 4.467 0.983 1.00 0.00 H new ATOM 0 HA GLU A 9 4.230 1.853 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.704 4.656 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.679 3.269 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.233 4.136 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.602 4.667 1.034 1.00 0.00 H new ATOM 129 N PHE A 10 2.192 3.201 3.624 1.00 0.00 N ATOM 130 CA PHE A 10 1.492 2.877 4.893 1.00 0.00 C ATOM 131 C PHE A 10 0.651 1.603 4.705 1.00 0.00 C ATOM 132 O PHE A 10 0.703 0.697 5.513 1.00 0.00 O ATOM 133 CB PHE A 10 0.588 4.039 5.307 1.00 0.00 C ATOM 134 CG PHE A 10 -0.060 3.701 6.626 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.651 3.879 7.818 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.363 3.193 6.655 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.059 3.549 9.042 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.958 2.863 7.880 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.246 3.041 9.073 1.00 0.00 C ATOM 0 H PHE A 10 1.854 4.028 3.132 1.00 0.00 H new ATOM 0 HA PHE A 10 2.232 2.711 5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.169 4.957 5.396 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.173 4.216 4.547 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.657 4.271 7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.910 3.055 5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.608 3.686 9.962 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.964 2.472 7.904 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.704 2.786 10.018 1.00 0.00 H new ATOM 149 N LEU A 11 -0.112 1.510 3.638 1.00 0.00 N ATOM 150 CA LEU A 11 -0.925 0.272 3.419 1.00 0.00 C ATOM 151 C LEU A 11 0.020 -0.920 3.272 1.00 0.00 C ATOM 152 O LEU A 11 -0.210 -1.970 3.841 1.00 0.00 O ATOM 153 CB LEU A 11 -1.776 0.379 2.138 1.00 0.00 C ATOM 154 CG LEU A 11 -2.666 1.630 2.178 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.207 1.916 0.775 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.847 1.409 3.130 1.00 0.00 C ATOM 0 H LEU A 11 -0.205 2.228 2.920 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.591 0.145 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.124 0.419 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.396 -0.511 2.033 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.071 2.473 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.839 2.804 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.375 2.084 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.793 1.064 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.471 2.303 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.439 0.561 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.473 1.206 4.133 1.00 0.00 H new ATOM 168 N VAL A 12 1.079 -0.785 2.519 1.00 0.00 N ATOM 169 CA VAL A 12 2.018 -1.925 2.350 1.00 0.00 C ATOM 170 C VAL A 12 2.573 -2.335 3.727 1.00 0.00 C ATOM 171 O VAL A 12 2.578 -3.496 4.077 1.00 0.00 O ATOM 172 CB VAL A 12 3.160 -1.474 1.421 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.376 -2.391 1.566 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.677 -1.515 -0.033 1.00 0.00 C ATOM 0 H VAL A 12 1.332 0.065 2.015 1.00 0.00 H new ATOM 0 HA VAL A 12 1.509 -2.784 1.912 1.00 0.00 H new ATOM 0 HB VAL A 12 3.449 -0.460 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.169 -2.052 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.731 -2.364 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.095 -3.412 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.483 -1.196 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.379 -2.532 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.825 -0.846 -0.152 1.00 0.00 H new ATOM 184 N LYS A 13 3.033 -1.388 4.512 1.00 0.00 N ATOM 185 CA LYS A 13 3.583 -1.733 5.861 1.00 0.00 C ATOM 186 C LYS A 13 2.500 -2.443 6.677 1.00 0.00 C ATOM 187 O LYS A 13 2.752 -3.422 7.352 1.00 0.00 O ATOM 188 CB LYS A 13 4.029 -0.447 6.578 1.00 0.00 C ATOM 189 CG LYS A 13 4.276 -0.724 8.075 1.00 0.00 C ATOM 190 CD LYS A 13 5.312 0.261 8.630 1.00 0.00 C ATOM 191 CE LYS A 13 4.869 1.696 8.337 1.00 0.00 C ATOM 192 NZ LYS A 13 3.411 1.832 8.608 1.00 0.00 N ATOM 0 H LYS A 13 3.051 -0.396 4.277 1.00 0.00 H new ATOM 0 HA LYS A 13 4.443 -2.393 5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.939 -0.063 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.266 0.323 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.342 -0.631 8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.627 -1.747 8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.425 0.117 9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.286 0.072 8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.431 2.395 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.082 1.948 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.195 2.818 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.874 1.565 7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.145 1.208 9.396 1.00 0.00 H new ATOM 206 N GLU A 14 1.303 -1.937 6.637 1.00 0.00 N ATOM 207 CA GLU A 14 0.200 -2.554 7.426 1.00 0.00 C ATOM 208 C GLU A 14 -0.174 -3.901 6.810 1.00 0.00 C ATOM 209 O GLU A 14 -0.468 -4.845 7.511 1.00 0.00 O ATOM 210 CB GLU A 14 -1.022 -1.600 7.414 1.00 0.00 C ATOM 211 CG GLU A 14 -1.176 -0.903 8.774 1.00 0.00 C ATOM 212 CD GLU A 14 0.022 0.017 9.017 1.00 0.00 C ATOM 213 OE1 GLU A 14 0.339 0.791 8.130 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.603 -0.068 10.088 1.00 0.00 O ATOM 0 H GLU A 14 1.037 -1.118 6.090 1.00 0.00 H new ATOM 0 HA GLU A 14 0.520 -2.716 8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.900 -0.854 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.927 -2.162 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.101 -0.326 8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.244 -1.646 9.569 1.00 0.00 H new ATOM 221 N VAL A 15 -0.184 -4.004 5.514 1.00 0.00 N ATOM 222 CA VAL A 15 -0.565 -5.297 4.896 1.00 0.00 C ATOM 223 C VAL A 15 0.490 -6.364 5.208 1.00 0.00 C ATOM 224 O VAL A 15 0.158 -7.482 5.536 1.00 0.00 O ATOM 225 CB VAL A 15 -0.723 -5.122 3.373 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.624 -6.481 2.668 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.090 -4.500 3.068 1.00 0.00 C ATOM 0 H VAL A 15 0.053 -3.256 4.862 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.518 -5.624 5.312 1.00 0.00 H new ATOM 0 HB VAL A 15 0.073 -4.471 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.737 -6.342 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.348 -6.929 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.412 -7.139 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.201 -4.376 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.879 -5.153 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.164 -3.527 3.554 1.00 0.00 H new ATOM 237 N THR A 16 1.753 -6.066 5.082 1.00 0.00 N ATOM 238 CA THR A 16 2.741 -7.141 5.350 1.00 0.00 C ATOM 239 C THR A 16 2.614 -7.614 6.791 1.00 0.00 C ATOM 240 O THR A 16 2.705 -8.793 7.072 1.00 0.00 O ATOM 241 CB THR A 16 4.182 -6.706 5.097 1.00 0.00 C ATOM 242 OG1 THR A 16 4.681 -6.039 6.247 1.00 0.00 O ATOM 243 CG2 THR A 16 4.290 -5.777 3.876 1.00 0.00 C ATOM 0 H THR A 16 2.132 -5.158 4.815 1.00 0.00 H new ATOM 0 HA THR A 16 2.515 -7.950 4.655 1.00 0.00 H new ATOM 0 HB THR A 16 4.773 -7.598 4.891 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.607 -5.760 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.331 -5.489 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.929 -6.298 2.989 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.687 -4.885 4.043 1.00 0.00 H new ATOM 251 N LYS A 17 2.384 -6.721 7.712 1.00 0.00 N ATOM 252 CA LYS A 17 2.235 -7.169 9.116 1.00 0.00 C ATOM 253 C LYS A 17 1.043 -8.119 9.159 1.00 0.00 C ATOM 254 O LYS A 17 1.017 -9.088 9.893 1.00 0.00 O ATOM 255 CB LYS A 17 1.979 -5.962 10.031 1.00 0.00 C ATOM 256 CG LYS A 17 1.887 -6.432 11.503 1.00 0.00 C ATOM 257 CD LYS A 17 0.989 -5.502 12.326 1.00 0.00 C ATOM 258 CE LYS A 17 0.719 -6.148 13.690 1.00 0.00 C ATOM 259 NZ LYS A 17 -0.281 -5.334 14.436 1.00 0.00 N ATOM 0 H LYS A 17 2.295 -5.717 7.554 1.00 0.00 H new ATOM 0 HA LYS A 17 3.141 -7.666 9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.783 -5.234 9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.055 -5.463 9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.494 -7.448 11.539 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.884 -6.461 11.941 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.470 -4.533 12.457 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.050 -5.324 11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.349 -7.165 13.556 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.645 -6.218 14.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.464 -5.772 15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.089 -4.372 14.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.167 -5.289 13.893 1.00 0.00 H new ATOM 273 N LEU A 18 0.055 -7.835 8.357 1.00 0.00 N ATOM 274 CA LEU A 18 -1.157 -8.692 8.306 1.00 0.00 C ATOM 275 C LEU A 18 -0.787 -10.000 7.597 1.00 0.00 C ATOM 276 O LEU A 18 -1.212 -11.071 7.982 1.00 0.00 O ATOM 277 CB LEU A 18 -2.270 -7.933 7.556 1.00 0.00 C ATOM 278 CG LEU A 18 -2.854 -6.708 8.369 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.382 -6.767 8.386 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.387 -6.649 9.840 1.00 0.00 C ATOM 0 H LEU A 18 0.038 -7.033 7.727 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.523 -8.928 9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.877 -7.574 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.080 -8.625 7.325 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.480 -5.823 7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.773 -5.919 8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.759 -6.729 7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.705 -7.695 8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.831 -5.781 10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.699 -7.556 10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.301 -6.568 9.874 1.00 0.00 H new ATOM 292 N ILE A 19 0.041 -9.917 6.587 1.00 0.00 N ATOM 293 CA ILE A 19 0.488 -11.149 5.878 1.00 0.00 C ATOM 294 C ILE A 19 1.381 -11.911 6.850 1.00 0.00 C ATOM 295 O ILE A 19 1.449 -13.124 6.842 1.00 0.00 O ATOM 296 CB ILE A 19 1.287 -10.771 4.614 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.342 -10.092 3.604 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.889 -12.032 3.983 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.121 -9.630 2.364 1.00 0.00 C ATOM 0 H ILE A 19 0.427 -9.045 6.223 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.363 -11.755 5.567 1.00 0.00 H new ATOM 0 HB ILE A 19 2.092 -10.088 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.444 -10.787 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.147 -9.238 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.452 -11.759 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.555 -12.515 4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.089 -12.720 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.437 -9.153 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.890 -8.918 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.589 -10.491 1.887 1.00 0.00 H new ATOM 311 N ASP A 20 2.070 -11.186 7.687 1.00 0.00 N ATOM 312 CA ASP A 20 2.974 -11.825 8.676 1.00 0.00 C ATOM 313 C ASP A 20 2.168 -12.406 9.840 1.00 0.00 C ATOM 314 O ASP A 20 2.626 -13.307 10.515 1.00 0.00 O ATOM 315 CB ASP A 20 3.952 -10.779 9.213 1.00 0.00 C ATOM 316 CG ASP A 20 4.755 -10.186 8.053 1.00 0.00 C ATOM 317 OD1 ASP A 20 4.397 -10.446 6.917 1.00 0.00 O ATOM 318 OD2 ASP A 20 5.716 -9.483 8.322 1.00 0.00 O ATOM 0 H ASP A 20 2.043 -10.167 7.726 1.00 0.00 H new ATOM 0 HA ASP A 20 3.519 -12.632 8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.408 -9.990 9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.625 -11.234 9.940 1.00 0.00 H new ATOM 323 N ASN A 21 0.975 -11.901 10.105 1.00 0.00 N ATOM 324 CA ASN A 21 0.183 -12.453 11.258 1.00 0.00 C ATOM 325 C ASN A 21 -0.651 -13.652 10.781 1.00 0.00 C ATOM 326 O ASN A 21 -1.314 -14.292 11.570 1.00 0.00 O ATOM 327 CB ASN A 21 -0.703 -11.376 11.886 1.00 0.00 C ATOM 328 CG ASN A 21 -1.413 -11.949 13.114 1.00 0.00 C ATOM 329 OD1 ASN A 21 -2.357 -12.703 12.987 1.00 0.00 O ATOM 330 ND2 ASN A 21 -0.997 -11.620 14.306 1.00 0.00 N ATOM 0 H ASN A 21 0.527 -11.148 9.584 1.00 0.00 H new ATOM 0 HA ASN A 21 0.873 -12.790 12.031 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.099 -10.515 12.171 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.436 -11.025 11.160 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.464 -11.996 15.131 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.204 -10.987 14.413 1.00 0.00 H new ATOM 337 N ASN A 22 -0.562 -13.997 9.516 1.00 0.00 N ATOM 338 CA ASN A 22 -1.281 -15.215 8.988 1.00 0.00 C ATOM 339 C ASN A 22 -2.767 -14.957 8.680 1.00 0.00 C ATOM 340 O ASN A 22 -3.596 -15.809 8.929 1.00 0.00 O ATOM 341 CB ASN A 22 -1.179 -16.359 10.024 1.00 0.00 C ATOM 342 CG ASN A 22 -1.191 -17.718 9.314 1.00 0.00 C ATOM 343 OD1 ASN A 22 -2.159 -18.450 9.391 1.00 0.00 O ATOM 344 ND2 ASN A 22 -0.147 -18.088 8.622 1.00 0.00 N ATOM 0 H ASN A 22 -0.020 -13.487 8.819 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.796 -15.484 8.049 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.263 -16.252 10.606 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.011 -16.300 10.726 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.144 -18.990 8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.665 -17.475 8.557 1.00 0.00 H new ATOM 351 N LYS A 23 -3.127 -13.826 8.135 1.00 0.00 N ATOM 352 CA LYS A 23 -4.576 -13.587 7.818 1.00 0.00 C ATOM 353 C LYS A 23 -4.817 -13.962 6.348 1.00 0.00 C ATOM 354 O LYS A 23 -3.932 -13.878 5.520 1.00 0.00 O ATOM 355 CB LYS A 23 -4.917 -12.116 8.064 1.00 0.00 C ATOM 356 CG LYS A 23 -4.214 -11.602 9.361 1.00 0.00 C ATOM 357 CD LYS A 23 -5.197 -10.848 10.280 1.00 0.00 C ATOM 358 CE LYS A 23 -4.499 -10.527 11.604 1.00 0.00 C ATOM 359 NZ LYS A 23 -3.358 -9.603 11.355 1.00 0.00 N ATOM 0 H LYS A 23 -2.494 -13.063 7.896 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.215 -14.197 8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.602 -11.516 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.997 -11.997 8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.784 -12.446 9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.389 -10.943 9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.532 -9.929 9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.084 -11.455 10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.205 -10.071 12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.142 -11.445 12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.660 -9.699 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.910 -9.841 10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.705 -8.623 11.323 1.00 0.00 H new ATOM 373 N THR A 24 -6.019 -14.378 6.023 1.00 0.00 N ATOM 374 CA THR A 24 -6.337 -14.764 4.614 1.00 0.00 C ATOM 375 C THR A 24 -6.571 -13.519 3.752 1.00 0.00 C ATOM 376 O THR A 24 -6.872 -12.455 4.251 1.00 0.00 O ATOM 377 CB THR A 24 -7.609 -15.627 4.581 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.745 -14.789 4.414 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.748 -16.405 5.886 1.00 0.00 C ATOM 0 H THR A 24 -6.796 -14.466 6.678 1.00 0.00 H new ATOM 0 HA THR A 24 -5.491 -15.326 4.219 1.00 0.00 H new ATOM 0 HB THR A 24 -7.540 -16.329 3.750 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.556 -15.338 4.391 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.652 -17.013 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.880 -17.052 6.018 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.811 -15.707 6.721 1.00 0.00 H new ATOM 387 N GLU A 25 -6.464 -13.660 2.459 1.00 0.00 N ATOM 388 CA GLU A 25 -6.708 -12.490 1.562 1.00 0.00 C ATOM 389 C GLU A 25 -8.081 -11.902 1.912 1.00 0.00 C ATOM 390 O GLU A 25 -8.248 -10.704 2.017 1.00 0.00 O ATOM 391 CB GLU A 25 -6.685 -12.946 0.099 1.00 0.00 C ATOM 392 CG GLU A 25 -6.471 -11.736 -0.814 1.00 0.00 C ATOM 393 CD GLU A 25 -6.811 -12.116 -2.257 1.00 0.00 C ATOM 394 OE1 GLU A 25 -7.899 -12.620 -2.475 1.00 0.00 O ATOM 395 OE2 GLU A 25 -5.975 -11.895 -3.118 1.00 0.00 O ATOM 0 H GLU A 25 -6.220 -14.529 1.985 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.933 -11.736 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.888 -13.674 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.622 -13.442 -0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.098 -10.906 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.437 -11.398 -0.750 1.00 0.00 H new ATOM 402 N LYS A 26 -9.065 -12.744 2.083 1.00 0.00 N ATOM 403 CA LYS A 26 -10.439 -12.261 2.413 1.00 0.00 C ATOM 404 C LYS A 26 -10.413 -11.370 3.668 1.00 0.00 C ATOM 405 O LYS A 26 -11.194 -10.449 3.795 1.00 0.00 O ATOM 406 CB LYS A 26 -11.366 -13.488 2.628 1.00 0.00 C ATOM 407 CG LYS A 26 -12.609 -13.404 1.721 1.00 0.00 C ATOM 408 CD LYS A 26 -13.528 -12.255 2.177 1.00 0.00 C ATOM 409 CE LYS A 26 -14.465 -12.733 3.294 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.421 -11.643 3.638 1.00 0.00 N ATOM 0 H LYS A 26 -8.975 -13.757 2.007 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.822 -11.659 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.817 -14.405 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.675 -13.537 3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.303 -13.245 0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.154 -14.348 1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.926 -11.418 2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.114 -11.892 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.009 -13.621 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.886 -13.015 4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.057 -11.965 4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.893 -10.807 3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.981 -11.394 2.798 1.00 0.00 H new ATOM 424 N GLU A 27 -9.537 -11.635 4.594 1.00 0.00 N ATOM 425 CA GLU A 27 -9.492 -10.796 5.827 1.00 0.00 C ATOM 426 C GLU A 27 -8.832 -9.442 5.525 1.00 0.00 C ATOM 427 O GLU A 27 -9.204 -8.428 6.083 1.00 0.00 O ATOM 428 CB GLU A 27 -8.683 -11.508 6.914 1.00 0.00 C ATOM 429 CG GLU A 27 -9.490 -12.663 7.507 1.00 0.00 C ATOM 430 CD GLU A 27 -8.586 -13.503 8.411 1.00 0.00 C ATOM 431 OE1 GLU A 27 -7.502 -13.850 7.973 1.00 0.00 O ATOM 432 OE2 GLU A 27 -8.994 -13.783 9.525 1.00 0.00 O ATOM 0 H GLU A 27 -8.853 -12.391 4.554 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.514 -10.635 6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.750 -11.885 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.416 -10.801 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.335 -12.276 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.901 -13.282 6.709 1.00 0.00 H new ATOM 439 N ILE A 28 -7.851 -9.412 4.668 1.00 0.00 N ATOM 440 CA ILE A 28 -7.170 -8.119 4.361 1.00 0.00 C ATOM 441 C ILE A 28 -8.148 -7.191 3.652 1.00 0.00 C ATOM 442 O ILE A 28 -8.206 -6.009 3.930 1.00 0.00 O ATOM 443 CB ILE A 28 -5.942 -8.428 3.492 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.259 -9.681 4.094 1.00 0.00 C ATOM 445 CG2 ILE A 28 -4.993 -7.224 3.473 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.740 -9.705 3.882 1.00 0.00 C ATOM 0 H ILE A 28 -7.490 -10.224 4.167 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.841 -7.615 5.270 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.228 -8.623 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.470 -9.723 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.695 -10.574 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.126 -7.454 2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.512 -6.358 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.665 -7.003 4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.325 -10.609 4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.521 -9.694 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.293 -8.830 4.353 1.00 0.00 H new ATOM 458 N LEU A 29 -8.928 -7.709 2.756 1.00 0.00 N ATOM 459 CA LEU A 29 -9.912 -6.851 2.051 1.00 0.00 C ATOM 460 C LEU A 29 -11.036 -6.475 3.027 1.00 0.00 C ATOM 461 O LEU A 29 -11.660 -5.441 2.912 1.00 0.00 O ATOM 462 CB LEU A 29 -10.467 -7.629 0.859 1.00 0.00 C ATOM 463 CG LEU A 29 -9.297 -8.197 0.041 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.849 -9.016 -1.129 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.435 -7.044 -0.502 1.00 0.00 C ATOM 0 H LEU A 29 -8.928 -8.691 2.479 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.442 -5.935 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.112 -8.437 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.080 -6.977 0.236 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.684 -8.834 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.022 -9.421 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.457 -9.835 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.462 -8.376 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.606 -7.451 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.044 -6.404 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.043 -6.459 0.330 1.00 0.00 H new ATOM 477 N ASP A 30 -11.280 -7.310 4.000 1.00 0.00 N ATOM 478 CA ASP A 30 -12.338 -7.003 5.009 1.00 0.00 C ATOM 479 C ASP A 30 -11.850 -5.845 5.891 1.00 0.00 C ATOM 480 O ASP A 30 -12.586 -4.924 6.188 1.00 0.00 O ATOM 481 CB ASP A 30 -12.598 -8.237 5.876 1.00 0.00 C ATOM 482 CG ASP A 30 -13.754 -7.951 6.836 1.00 0.00 C ATOM 483 OD1 ASP A 30 -13.562 -7.163 7.747 1.00 0.00 O ATOM 484 OD2 ASP A 30 -14.814 -8.525 6.644 1.00 0.00 O ATOM 0 H ASP A 30 -10.792 -8.194 4.141 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.264 -6.724 4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.838 -9.093 5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.700 -8.496 6.438 1.00 0.00 H new ATOM 489 N ALA A 31 -10.622 -5.897 6.332 1.00 0.00 N ATOM 490 CA ALA A 31 -10.086 -4.818 7.216 1.00 0.00 C ATOM 491 C ALA A 31 -9.934 -3.504 6.437 1.00 0.00 C ATOM 492 O ALA A 31 -9.966 -2.435 7.012 1.00 0.00 O ATOM 493 CB ALA A 31 -8.722 -5.253 7.758 1.00 0.00 C ATOM 0 H ALA A 31 -9.962 -6.644 6.117 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.783 -4.652 8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.322 -4.472 8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.834 -6.175 8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.037 -5.422 6.927 1.00 0.00 H new ATOM 499 N PHE A 32 -9.785 -3.561 5.144 1.00 0.00 N ATOM 500 CA PHE A 32 -9.652 -2.305 4.344 1.00 0.00 C ATOM 501 C PHE A 32 -10.786 -1.343 4.703 1.00 0.00 C ATOM 502 O PHE A 32 -10.748 -0.178 4.365 1.00 0.00 O ATOM 503 CB PHE A 32 -9.741 -2.692 2.857 1.00 0.00 C ATOM 504 CG PHE A 32 -8.383 -3.092 2.283 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.291 -3.456 3.106 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.218 -3.071 0.893 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.060 -3.784 2.525 1.00 0.00 C ATOM 508 CE2 PHE A 32 -6.986 -3.409 0.322 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.909 -3.761 1.138 1.00 0.00 C ATOM 0 H PHE A 32 -9.749 -4.424 4.602 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.703 -1.811 4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.441 -3.519 2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.141 -1.853 2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.407 -3.481 4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.046 -2.792 0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.224 -4.056 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.868 -3.398 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.958 -4.016 0.695 1.00 0.00 H new ATOM 519 N ASP A 33 -11.802 -1.816 5.361 1.00 0.00 N ATOM 520 CA ASP A 33 -12.938 -0.918 5.705 1.00 0.00 C ATOM 521 C ASP A 33 -12.621 -0.119 6.978 1.00 0.00 C ATOM 522 O ASP A 33 -13.247 0.890 7.243 1.00 0.00 O ATOM 523 CB ASP A 33 -14.203 -1.769 5.900 1.00 0.00 C ATOM 524 CG ASP A 33 -15.293 -0.954 6.609 1.00 0.00 C ATOM 525 OD1 ASP A 33 -15.898 -0.120 5.957 1.00 0.00 O ATOM 526 OD2 ASP A 33 -15.501 -1.181 7.789 1.00 0.00 O ATOM 0 H ASP A 33 -11.897 -2.782 5.676 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.102 -0.207 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.569 -2.114 4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.965 -2.657 6.486 1.00 0.00 H new ATOM 531 N LYS A 34 -11.648 -0.538 7.760 1.00 0.00 N ATOM 532 CA LYS A 34 -11.286 0.223 9.004 1.00 0.00 C ATOM 533 C LYS A 34 -9.784 0.545 8.995 1.00 0.00 C ATOM 534 O LYS A 34 -9.238 0.995 9.982 1.00 0.00 O ATOM 535 CB LYS A 34 -11.595 -0.624 10.243 1.00 0.00 C ATOM 536 CG LYS A 34 -12.999 -1.225 10.131 1.00 0.00 C ATOM 537 CD LYS A 34 -13.482 -1.668 11.514 1.00 0.00 C ATOM 538 CE LYS A 34 -12.575 -2.784 12.037 1.00 0.00 C ATOM 539 NZ LYS A 34 -13.221 -3.442 13.208 1.00 0.00 N ATOM 0 H LYS A 34 -11.089 -1.374 7.590 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.867 1.145 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.857 -1.420 10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.524 -0.009 11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.687 -0.490 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.988 -2.076 9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.471 -0.823 12.203 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.512 -2.019 11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.391 -3.516 11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.606 -2.375 12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.605 -4.201 13.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.375 -2.740 13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.135 -3.845 12.919 1.00 0.00 H new ATOM 553 N MET A 35 -9.103 0.310 7.898 1.00 0.00 N ATOM 554 CA MET A 35 -7.634 0.601 7.855 1.00 0.00 C ATOM 555 C MET A 35 -7.411 2.092 7.551 1.00 0.00 C ATOM 556 O MET A 35 -6.608 2.728 8.205 1.00 0.00 O ATOM 557 CB MET A 35 -6.965 -0.294 6.786 1.00 0.00 C ATOM 558 CG MET A 35 -5.757 -1.034 7.365 1.00 0.00 C ATOM 559 SD MET A 35 -4.753 -1.698 6.007 1.00 0.00 S ATOM 560 CE MET A 35 -5.118 -3.455 6.259 1.00 0.00 C ATOM 0 H MET A 35 -9.497 -0.068 7.037 1.00 0.00 H new ATOM 0 HA MET A 35 -7.181 0.380 8.822 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.689 -1.015 6.406 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.650 0.318 5.941 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.160 -0.357 7.976 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.089 -1.843 8.016 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.588 -4.047 5.513 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.795 -3.754 7.256 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.191 -3.622 6.160 1.00 0.00 H new ATOM 570 N CYS A 36 -8.092 2.685 6.596 1.00 0.00 N ATOM 571 CA CYS A 36 -7.834 4.134 6.372 1.00 0.00 C ATOM 572 C CYS A 36 -8.244 4.848 7.657 1.00 0.00 C ATOM 573 O CYS A 36 -8.091 6.045 7.792 1.00 0.00 O ATOM 574 CB CYS A 36 -8.630 4.681 5.180 1.00 0.00 C ATOM 575 SG CYS A 36 -8.239 3.756 3.665 1.00 0.00 S ATOM 0 H CYS A 36 -8.785 2.247 5.989 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.782 4.297 6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.698 4.613 5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.400 5.737 5.037 1.00 0.00 H new ATOM 580 N SER A 37 -8.778 4.121 8.599 1.00 0.00 N ATOM 581 CA SER A 37 -9.215 4.760 9.876 1.00 0.00 C ATOM 582 C SER A 37 -8.016 5.007 10.809 1.00 0.00 C ATOM 583 O SER A 37 -8.142 5.701 11.799 1.00 0.00 O ATOM 584 CB SER A 37 -10.221 3.848 10.579 1.00 0.00 C ATOM 585 OG SER A 37 -11.129 3.324 9.619 1.00 0.00 O ATOM 0 H SER A 37 -8.931 3.114 8.542 1.00 0.00 H new ATOM 0 HA SER A 37 -9.675 5.720 9.642 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.701 3.035 11.086 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.763 4.405 11.343 1.00 0.00 H new ATOM 0 HG SER A 37 -11.940 3.012 10.072 1.00 0.00 H new ATOM 591 N LYS A 38 -6.862 4.446 10.530 1.00 0.00 N ATOM 592 CA LYS A 38 -5.687 4.667 11.443 1.00 0.00 C ATOM 593 C LYS A 38 -4.865 5.888 10.984 1.00 0.00 C ATOM 594 O LYS A 38 -3.727 6.062 11.376 1.00 0.00 O ATOM 595 CB LYS A 38 -4.805 3.404 11.478 1.00 0.00 C ATOM 596 CG LYS A 38 -5.679 2.151 11.390 1.00 0.00 C ATOM 597 CD LYS A 38 -6.742 2.178 12.492 1.00 0.00 C ATOM 598 CE LYS A 38 -7.327 0.775 12.676 1.00 0.00 C ATOM 599 NZ LYS A 38 -8.352 0.803 13.757 1.00 0.00 N ATOM 0 H LYS A 38 -6.681 3.852 9.721 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.057 4.866 12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.097 3.422 10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.220 3.385 12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.158 2.099 10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.061 1.259 11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.302 2.525 13.427 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.533 2.881 12.231 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.775 0.431 11.744 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.536 0.069 12.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.750 -0.150 13.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.911 1.114 14.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.112 1.464 13.498 1.00 0.00 H new ATOM 613 N LEU A 39 -5.445 6.747 10.175 1.00 0.00 N ATOM 614 CA LEU A 39 -4.729 7.986 9.696 1.00 0.00 C ATOM 615 C LEU A 39 -5.600 9.209 10.063 1.00 0.00 C ATOM 616 O LEU A 39 -6.809 9.117 9.975 1.00 0.00 O ATOM 617 CB LEU A 39 -4.570 7.915 8.170 1.00 0.00 C ATOM 618 CG LEU A 39 -3.809 6.640 7.775 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.747 6.541 6.250 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.375 6.671 8.337 1.00 0.00 C ATOM 0 H LEU A 39 -6.396 6.644 9.820 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.745 8.066 10.158 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.551 7.924 7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.033 8.793 7.812 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.332 5.777 8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.208 5.637 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.759 6.502 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.230 7.413 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.851 5.760 8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.846 7.536 7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.412 6.738 9.424 1.00 0.00 H new ATOM 632 N PRO A 40 -5.000 10.326 10.465 1.00 0.00 N ATOM 633 CA PRO A 40 -5.787 11.526 10.829 1.00 0.00 C ATOM 634 C PRO A 40 -6.936 11.727 9.817 1.00 0.00 C ATOM 635 O PRO A 40 -6.900 11.208 8.719 1.00 0.00 O ATOM 636 CB PRO A 40 -4.750 12.674 10.827 1.00 0.00 C ATOM 637 CG PRO A 40 -3.339 12.014 10.829 1.00 0.00 C ATOM 638 CD PRO A 40 -3.534 10.503 10.589 1.00 0.00 C ATOM 0 HA PRO A 40 -6.279 11.460 11.799 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.878 13.308 9.949 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.879 13.311 11.702 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.712 12.448 10.051 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.835 12.189 11.779 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.018 10.176 9.686 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.133 9.916 11.415 1.00 0.00 H new ATOM 646 N LYS A 41 -7.972 12.447 10.191 1.00 0.00 N ATOM 647 CA LYS A 41 -9.128 12.636 9.261 1.00 0.00 C ATOM 648 C LYS A 41 -8.725 13.392 7.996 1.00 0.00 C ATOM 649 O LYS A 41 -9.405 13.338 6.990 1.00 0.00 O ATOM 650 CB LYS A 41 -10.271 13.372 9.958 1.00 0.00 C ATOM 651 CG LYS A 41 -11.480 13.451 9.009 1.00 0.00 C ATOM 652 CD LYS A 41 -12.766 13.793 9.796 1.00 0.00 C ATOM 653 CE LYS A 41 -13.497 12.508 10.211 1.00 0.00 C ATOM 654 NZ LYS A 41 -12.641 11.717 11.139 1.00 0.00 N ATOM 0 H LYS A 41 -8.064 12.908 11.096 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.465 11.642 8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.548 12.852 10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.952 14.375 10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.302 14.209 8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.606 12.500 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.514 14.378 10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.422 14.410 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.441 12.756 10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.738 11.915 9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.207 10.961 11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.851 11.296 10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.266 12.341 11.882 1.00 0.00 H new ATOM 668 N SER A 42 -7.686 14.175 8.062 1.00 0.00 N ATOM 669 CA SER A 42 -7.320 15.022 6.892 1.00 0.00 C ATOM 670 C SER A 42 -6.684 14.228 5.758 1.00 0.00 C ATOM 671 O SER A 42 -6.400 14.733 4.691 1.00 0.00 O ATOM 672 CB SER A 42 -6.368 16.129 7.339 1.00 0.00 C ATOM 673 OG SER A 42 -5.155 15.548 7.798 1.00 0.00 O ATOM 0 H SER A 42 -7.075 14.266 8.873 1.00 0.00 H new ATOM 0 HA SER A 42 -8.246 15.446 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.168 16.809 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.825 16.719 8.133 1.00 0.00 H new ATOM 0 HG SER A 42 -4.541 16.256 8.084 1.00 0.00 H new ATOM 679 N LEU A 43 -6.418 12.982 6.033 1.00 0.00 N ATOM 680 CA LEU A 43 -5.747 12.076 5.059 1.00 0.00 C ATOM 681 C LEU A 43 -6.744 10.978 4.679 1.00 0.00 C ATOM 682 O LEU A 43 -6.489 10.155 3.821 1.00 0.00 O ATOM 683 CB LEU A 43 -4.527 11.475 5.811 1.00 0.00 C ATOM 684 CG LEU A 43 -3.204 11.782 5.112 1.00 0.00 C ATOM 685 CD1 LEU A 43 -3.082 13.283 4.737 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.034 11.383 6.029 1.00 0.00 C ATOM 0 H LEU A 43 -6.646 12.540 6.923 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.423 12.583 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.499 11.870 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.650 10.395 5.893 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.173 11.205 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.127 13.458 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.895 13.557 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.139 13.890 5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.090 11.602 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.092 11.947 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.090 10.317 6.247 1.00 0.00 H new ATOM 698 N SER A 44 -7.862 10.970 5.333 1.00 0.00 N ATOM 699 CA SER A 44 -8.920 9.945 5.067 1.00 0.00 C ATOM 700 C SER A 44 -9.001 9.621 3.567 1.00 0.00 C ATOM 701 O SER A 44 -8.874 8.493 3.130 1.00 0.00 O ATOM 702 CB SER A 44 -10.270 10.496 5.526 1.00 0.00 C ATOM 703 OG SER A 44 -11.298 9.576 5.179 1.00 0.00 O ATOM 0 H SER A 44 -8.101 11.644 6.060 1.00 0.00 H new ATOM 0 HA SER A 44 -8.670 9.034 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.261 10.659 6.604 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.459 11.463 5.059 1.00 0.00 H new ATOM 0 HG SER A 44 -12.164 9.927 5.474 1.00 0.00 H new ATOM 709 N GLU A 45 -9.381 10.626 2.826 1.00 0.00 N ATOM 710 CA GLU A 45 -9.702 10.524 1.369 1.00 0.00 C ATOM 711 C GLU A 45 -8.676 9.912 0.415 1.00 0.00 C ATOM 712 O GLU A 45 -8.970 8.991 -0.322 1.00 0.00 O ATOM 713 CB GLU A 45 -9.954 11.948 0.867 1.00 0.00 C ATOM 714 CG GLU A 45 -11.123 12.572 1.636 1.00 0.00 C ATOM 715 CD GLU A 45 -12.425 11.869 1.248 1.00 0.00 C ATOM 716 OE1 GLU A 45 -12.957 12.184 0.197 1.00 0.00 O ATOM 717 OE2 GLU A 45 -12.869 11.025 2.011 1.00 0.00 O ATOM 0 H GLU A 45 -9.488 11.571 3.195 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.541 9.828 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.057 12.553 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.176 11.933 -0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.955 12.482 2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.192 13.637 1.412 1.00 0.00 H new ATOM 724 N GLU A 46 -7.483 10.413 0.424 1.00 0.00 N ATOM 725 CA GLU A 46 -6.440 9.865 -0.478 1.00 0.00 C ATOM 726 C GLU A 46 -6.289 8.366 -0.238 1.00 0.00 C ATOM 727 O GLU A 46 -5.821 7.643 -1.088 1.00 0.00 O ATOM 728 CB GLU A 46 -5.113 10.576 -0.204 1.00 0.00 C ATOM 729 CG GLU A 46 -5.340 12.100 -0.154 1.00 0.00 C ATOM 730 CD GLU A 46 -5.765 12.524 1.256 1.00 0.00 C ATOM 731 OE1 GLU A 46 -6.149 11.657 2.023 1.00 0.00 O ATOM 732 OE2 GLU A 46 -5.698 13.708 1.543 1.00 0.00 O ATOM 0 H GLU A 46 -7.180 11.183 1.020 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.729 10.028 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.692 10.230 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.391 10.332 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.426 12.621 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.107 12.385 -0.874 1.00 0.00 H new ATOM 739 N CYS A 47 -6.702 7.882 0.893 1.00 0.00 N ATOM 740 CA CYS A 47 -6.596 6.418 1.148 1.00 0.00 C ATOM 741 C CYS A 47 -7.765 5.727 0.451 1.00 0.00 C ATOM 742 O CYS A 47 -7.607 4.688 -0.159 1.00 0.00 O ATOM 743 CB CYS A 47 -6.643 6.174 2.659 1.00 0.00 C ATOM 744 SG CYS A 47 -6.422 4.413 3.042 1.00 0.00 S ATOM 0 H CYS A 47 -7.107 8.430 1.652 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.659 6.018 0.760 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.863 6.757 3.149 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.597 6.519 3.057 1.00 0.00 H new ATOM 749 N GLN A 48 -8.937 6.285 0.528 1.00 0.00 N ATOM 750 CA GLN A 48 -10.097 5.636 -0.139 1.00 0.00 C ATOM 751 C GLN A 48 -9.787 5.421 -1.624 1.00 0.00 C ATOM 752 O GLN A 48 -10.029 4.363 -2.170 1.00 0.00 O ATOM 753 CB GLN A 48 -11.336 6.524 0.004 1.00 0.00 C ATOM 754 CG GLN A 48 -12.577 5.741 -0.429 1.00 0.00 C ATOM 755 CD GLN A 48 -12.891 4.665 0.613 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.548 4.931 1.600 1.00 0.00 O ATOM 757 NE2 GLN A 48 -12.446 3.451 0.434 1.00 0.00 N ATOM 0 H GLN A 48 -9.142 7.155 1.019 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.288 4.671 0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.443 6.854 1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.227 7.420 -0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.426 6.416 -0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -12.408 5.281 -1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -11.894 3.227 -0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.650 2.726 1.122 1.00 0.00 H new ATOM 766 N GLU A 49 -9.267 6.421 -2.286 1.00 0.00 N ATOM 767 CA GLU A 49 -8.958 6.283 -3.740 1.00 0.00 C ATOM 768 C GLU A 49 -7.841 5.257 -3.959 1.00 0.00 C ATOM 769 O GLU A 49 -7.914 4.449 -4.864 1.00 0.00 O ATOM 770 CB GLU A 49 -8.517 7.640 -4.295 1.00 0.00 C ATOM 771 CG GLU A 49 -9.726 8.571 -4.389 1.00 0.00 C ATOM 772 CD GLU A 49 -9.249 9.996 -4.675 1.00 0.00 C ATOM 773 OE1 GLU A 49 -8.654 10.202 -5.720 1.00 0.00 O ATOM 774 OE2 GLU A 49 -9.485 10.857 -3.843 1.00 0.00 O ATOM 0 H GLU A 49 -9.042 7.330 -1.881 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.854 5.941 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.756 8.079 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.065 7.513 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.397 8.235 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.292 8.545 -3.458 1.00 0.00 H new ATOM 781 N VAL A 50 -6.809 5.266 -3.158 1.00 0.00 N ATOM 782 CA VAL A 50 -5.724 4.270 -3.375 1.00 0.00 C ATOM 783 C VAL A 50 -6.250 2.882 -3.050 1.00 0.00 C ATOM 784 O VAL A 50 -6.072 1.945 -3.803 1.00 0.00 O ATOM 785 CB VAL A 50 -4.509 4.556 -2.482 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.380 3.586 -2.835 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.025 6.006 -2.687 1.00 0.00 C ATOM 0 H VAL A 50 -6.672 5.908 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.410 4.334 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.796 4.424 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.516 3.787 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.717 2.562 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.102 3.717 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.163 6.196 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.743 6.151 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.827 6.697 -2.429 1.00 0.00 H new ATOM 797 N VAL A 51 -6.869 2.729 -1.914 1.00 0.00 N ATOM 798 CA VAL A 51 -7.370 1.391 -1.526 1.00 0.00 C ATOM 799 C VAL A 51 -8.392 0.900 -2.558 1.00 0.00 C ATOM 800 O VAL A 51 -8.315 -0.203 -3.057 1.00 0.00 O ATOM 801 CB VAL A 51 -7.934 1.465 -0.104 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.449 0.103 0.331 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.822 1.901 0.852 1.00 0.00 C ATOM 0 H VAL A 51 -7.048 3.474 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.563 0.659 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.755 2.181 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.847 0.171 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.238 -0.222 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.632 -0.619 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.216 1.956 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.008 1.177 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.449 2.881 0.554 1.00 0.00 H new ATOM 813 N ASP A 52 -9.382 1.711 -2.834 1.00 0.00 N ATOM 814 CA ASP A 52 -10.467 1.312 -3.779 1.00 0.00 C ATOM 815 C ASP A 52 -9.938 1.080 -5.194 1.00 0.00 C ATOM 816 O ASP A 52 -10.329 0.145 -5.866 1.00 0.00 O ATOM 817 CB ASP A 52 -11.523 2.422 -3.815 1.00 0.00 C ATOM 818 CG ASP A 52 -12.652 2.021 -4.768 1.00 0.00 C ATOM 819 OD1 ASP A 52 -13.118 0.899 -4.663 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.031 2.844 -5.584 1.00 0.00 O ATOM 0 H ASP A 52 -9.485 2.646 -2.438 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.896 0.374 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.921 2.593 -2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.071 3.358 -4.143 1.00 0.00 H new ATOM 825 N THR A 53 -9.074 1.934 -5.664 1.00 0.00 N ATOM 826 CA THR A 53 -8.545 1.779 -7.044 1.00 0.00 C ATOM 827 C THR A 53 -7.373 0.805 -7.077 1.00 0.00 C ATOM 828 O THR A 53 -7.257 0.017 -7.994 1.00 0.00 O ATOM 829 CB THR A 53 -8.073 3.145 -7.553 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.116 4.095 -7.389 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.701 3.043 -9.032 1.00 0.00 C ATOM 0 H THR A 53 -8.711 2.736 -5.149 1.00 0.00 H new ATOM 0 HA THR A 53 -9.340 1.386 -7.678 1.00 0.00 H new ATOM 0 HB THR A 53 -7.199 3.462 -6.984 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.046 4.508 -6.503 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.366 4.016 -9.391 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.900 2.315 -9.156 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.572 2.725 -9.605 1.00 0.00 H new ATOM 839 N TYR A 54 -6.484 0.867 -6.117 1.00 0.00 N ATOM 840 CA TYR A 54 -5.295 -0.046 -6.138 1.00 0.00 C ATOM 841 C TYR A 54 -5.340 -1.098 -5.025 1.00 0.00 C ATOM 842 O TYR A 54 -4.330 -1.490 -4.482 1.00 0.00 O ATOM 843 CB TYR A 54 -4.030 0.791 -6.001 1.00 0.00 C ATOM 844 CG TYR A 54 -3.892 1.681 -7.217 1.00 0.00 C ATOM 845 CD1 TYR A 54 -3.545 1.134 -8.458 1.00 0.00 C ATOM 846 CD2 TYR A 54 -4.125 3.053 -7.104 1.00 0.00 C ATOM 847 CE1 TYR A 54 -3.430 1.965 -9.580 1.00 0.00 C ATOM 848 CE2 TYR A 54 -4.015 3.883 -8.218 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.665 3.342 -9.461 1.00 0.00 C ATOM 850 OH TYR A 54 -3.555 4.161 -10.566 1.00 0.00 O ATOM 0 H TYR A 54 -6.528 1.506 -5.323 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.304 -0.585 -7.086 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.075 1.396 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.158 0.143 -5.908 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.366 0.073 -8.550 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.392 3.474 -6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.160 1.544 -10.537 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.200 4.943 -8.123 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.752 5.086 -10.309 1.00 0.00 H new ATOM 860 N GLY A 55 -6.518 -1.520 -4.650 1.00 0.00 N ATOM 861 CA GLY A 55 -6.650 -2.501 -3.535 1.00 0.00 C ATOM 862 C GLY A 55 -6.387 -3.930 -4.005 1.00 0.00 C ATOM 863 O GLY A 55 -5.580 -4.632 -3.431 1.00 0.00 O ATOM 0 H GLY A 55 -7.399 -1.225 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.950 -2.245 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.652 -2.436 -3.110 1.00 0.00 H new ATOM 867 N SER A 56 -7.072 -4.389 -5.015 1.00 0.00 N ATOM 868 CA SER A 56 -6.844 -5.790 -5.454 1.00 0.00 C ATOM 869 C SER A 56 -5.457 -5.927 -6.072 1.00 0.00 C ATOM 870 O SER A 56 -4.865 -6.988 -6.071 1.00 0.00 O ATOM 871 CB SER A 56 -7.908 -6.208 -6.473 1.00 0.00 C ATOM 872 OG SER A 56 -9.070 -5.409 -6.294 1.00 0.00 O ATOM 0 H SER A 56 -7.767 -3.865 -5.546 1.00 0.00 H new ATOM 0 HA SER A 56 -6.913 -6.442 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.524 -6.090 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.155 -7.262 -6.347 1.00 0.00 H new ATOM 0 HG SER A 56 -9.752 -5.673 -6.946 1.00 0.00 H new ATOM 878 N SER A 57 -4.968 -4.871 -6.668 1.00 0.00 N ATOM 879 CA SER A 57 -3.657 -4.970 -7.362 1.00 0.00 C ATOM 880 C SER A 57 -2.509 -4.999 -6.359 1.00 0.00 C ATOM 881 O SER A 57 -1.665 -5.866 -6.416 1.00 0.00 O ATOM 882 CB SER A 57 -3.481 -3.815 -8.347 1.00 0.00 C ATOM 883 OG SER A 57 -3.463 -2.586 -7.631 1.00 0.00 O ATOM 0 H SER A 57 -5.416 -3.955 -6.703 1.00 0.00 H new ATOM 0 HA SER A 57 -3.641 -5.906 -7.921 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.553 -3.937 -8.906 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.294 -3.814 -9.073 1.00 0.00 H new ATOM 0 HG SER A 57 -3.041 -1.893 -8.181 1.00 0.00 H new ATOM 889 N ILE A 58 -2.489 -4.112 -5.400 1.00 0.00 N ATOM 890 CA ILE A 58 -1.402 -4.169 -4.382 1.00 0.00 C ATOM 891 C ILE A 58 -1.382 -5.578 -3.806 1.00 0.00 C ATOM 892 O ILE A 58 -0.358 -6.219 -3.677 1.00 0.00 O ATOM 893 CB ILE A 58 -1.695 -3.167 -3.253 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.486 -1.735 -3.773 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.740 -3.432 -2.077 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.970 -0.714 -2.732 1.00 0.00 C ATOM 0 H ILE A 58 -3.168 -3.361 -5.278 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.443 -3.920 -4.836 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.726 -3.284 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.431 -1.570 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.030 -1.597 -4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.945 -2.723 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.888 -4.448 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.291 -3.313 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.816 0.295 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.031 -0.870 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.407 -0.842 -1.807 1.00 0.00 H new ATOM 908 N LEU A 59 -2.543 -6.038 -3.454 1.00 0.00 N ATOM 909 CA LEU A 59 -2.704 -7.389 -2.866 1.00 0.00 C ATOM 910 C LEU A 59 -2.222 -8.458 -3.848 1.00 0.00 C ATOM 911 O LEU A 59 -1.853 -9.536 -3.433 1.00 0.00 O ATOM 912 CB LEU A 59 -4.208 -7.611 -2.560 1.00 0.00 C ATOM 913 CG LEU A 59 -4.501 -7.695 -1.059 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.769 -8.894 -0.431 1.00 0.00 C ATOM 915 CD2 LEU A 59 -4.084 -6.391 -0.365 1.00 0.00 C ATOM 0 H LEU A 59 -3.414 -5.517 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.112 -7.464 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.787 -6.795 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.541 -8.530 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.573 -7.838 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.989 -8.937 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.104 -9.815 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.695 -8.780 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.297 -6.462 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.017 -6.226 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.642 -5.557 -0.791 1.00 0.00 H new ATOM 927 N SER A 60 -2.259 -8.224 -5.135 1.00 0.00 N ATOM 928 CA SER A 60 -1.840 -9.317 -6.066 1.00 0.00 C ATOM 929 C SER A 60 -0.318 -9.332 -6.225 1.00 0.00 C ATOM 930 O SER A 60 0.299 -10.367 -6.379 1.00 0.00 O ATOM 931 CB SER A 60 -2.498 -9.090 -7.418 1.00 0.00 C ATOM 932 OG SER A 60 -1.851 -9.887 -8.401 1.00 0.00 O ATOM 0 H SER A 60 -2.552 -7.351 -5.573 1.00 0.00 H new ATOM 0 HA SER A 60 -2.151 -10.278 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.556 -9.346 -7.367 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.437 -8.037 -7.691 1.00 0.00 H new ATOM 0 HG SER A 60 -2.276 -9.742 -9.272 1.00 0.00 H new ATOM 938 N ILE A 61 0.280 -8.171 -6.203 1.00 0.00 N ATOM 939 CA ILE A 61 1.756 -8.067 -6.369 1.00 0.00 C ATOM 940 C ILE A 61 2.487 -8.592 -5.133 1.00 0.00 C ATOM 941 O ILE A 61 3.446 -9.332 -5.228 1.00 0.00 O ATOM 942 CB ILE A 61 2.129 -6.594 -6.593 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.196 -5.989 -7.689 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.613 -6.503 -6.989 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.961 -5.060 -8.645 1.00 0.00 C ATOM 0 H ILE A 61 -0.199 -7.280 -6.075 1.00 0.00 H new ATOM 0 HA ILE A 61 2.055 -8.671 -7.226 1.00 0.00 H new ATOM 0 HB ILE A 61 1.989 -6.018 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.735 -6.796 -8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.389 -5.434 -7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.883 -5.459 -7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.229 -6.919 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.780 -7.066 -7.907 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.274 -4.661 -9.392 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.400 -4.238 -8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.752 -5.621 -9.143 1.00 0.00 H new ATOM 957 N LEU A 62 2.053 -8.183 -3.970 1.00 0.00 N ATOM 958 CA LEU A 62 2.725 -8.616 -2.719 1.00 0.00 C ATOM 959 C LEU A 62 2.777 -10.147 -2.674 1.00 0.00 C ATOM 960 O LEU A 62 3.732 -10.734 -2.205 1.00 0.00 O ATOM 961 CB LEU A 62 1.923 -8.053 -1.524 1.00 0.00 C ATOM 962 CG LEU A 62 2.726 -6.953 -0.807 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.781 -6.093 0.042 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.795 -7.603 0.082 1.00 0.00 C ATOM 0 H LEU A 62 1.255 -7.562 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 62 3.748 -8.242 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.973 -7.649 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.689 -8.856 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 62 3.214 -6.315 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.353 -5.315 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.032 -5.632 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.286 -6.720 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.366 -6.827 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.313 -8.243 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.466 -8.201 -0.534 1.00 0.00 H new ATOM 976 N LEU A 63 1.754 -10.791 -3.154 1.00 0.00 N ATOM 977 CA LEU A 63 1.736 -12.276 -3.139 1.00 0.00 C ATOM 978 C LEU A 63 2.702 -12.827 -4.186 1.00 0.00 C ATOM 979 O LEU A 63 3.061 -13.988 -4.157 1.00 0.00 O ATOM 980 CB LEU A 63 0.313 -12.775 -3.396 1.00 0.00 C ATOM 981 CG LEU A 63 -0.621 -12.219 -2.315 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.055 -12.668 -2.608 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.187 -12.725 -0.926 1.00 0.00 C ATOM 0 H LEU A 63 0.927 -10.351 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 63 2.060 -12.631 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.024 -12.457 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.290 -13.865 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.570 -11.130 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.723 -12.275 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.362 -12.292 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.103 -13.757 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.858 -12.323 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.227 -13.814 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.832 -12.396 -0.721 1.00 0.00 H new ATOM 995 N GLU A 64 3.143 -12.009 -5.108 1.00 0.00 N ATOM 996 CA GLU A 64 4.096 -12.505 -6.140 1.00 0.00 C ATOM 997 C GLU A 64 5.515 -12.395 -5.576 1.00 0.00 C ATOM 998 O GLU A 64 6.483 -12.243 -6.296 1.00 0.00 O ATOM 999 CB GLU A 64 3.961 -11.683 -7.427 1.00 0.00 C ATOM 1000 CG GLU A 64 2.745 -12.161 -8.226 1.00 0.00 C ATOM 1001 CD GLU A 64 3.024 -13.550 -8.802 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.641 -13.622 -9.853 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.616 -14.519 -8.184 1.00 0.00 O ATOM 0 H GLU A 64 2.885 -11.026 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 64 3.876 -13.544 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.855 -10.626 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.864 -11.782 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.865 -12.192 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.527 -11.459 -9.031 1.00 0.00 H new ATOM 1010 N GLU A 65 5.627 -12.523 -4.282 1.00 0.00 N ATOM 1011 CA GLU A 65 6.965 -12.491 -3.623 1.00 0.00 C ATOM 1012 C GLU A 65 7.801 -11.290 -4.078 1.00 0.00 C ATOM 1013 O GLU A 65 9.015 -11.344 -4.120 1.00 0.00 O ATOM 1014 CB GLU A 65 7.716 -13.759 -4.035 1.00 0.00 C ATOM 1015 CG GLU A 65 7.025 -14.983 -3.429 1.00 0.00 C ATOM 1016 CD GLU A 65 7.711 -16.256 -3.929 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.903 -16.391 -3.704 1.00 0.00 O ATOM 1018 OE2 GLU A 65 7.033 -17.075 -4.527 1.00 0.00 O ATOM 0 H GLU A 65 4.840 -12.650 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 65 6.816 -12.420 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.740 -13.843 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.751 -13.708 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.069 -14.937 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.971 -14.993 -3.705 1.00 0.00 H new ATOM 1025 N VAL A 66 7.160 -10.194 -4.391 1.00 0.00 N ATOM 1026 CA VAL A 66 7.904 -8.962 -4.814 1.00 0.00 C ATOM 1027 C VAL A 66 8.168 -8.104 -3.562 1.00 0.00 C ATOM 1028 O VAL A 66 7.365 -8.058 -2.652 1.00 0.00 O ATOM 1029 CB VAL A 66 7.038 -8.193 -5.841 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.296 -6.682 -5.763 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.372 -8.677 -7.259 1.00 0.00 C ATOM 0 H VAL A 66 6.145 -10.095 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 66 8.857 -9.213 -5.279 1.00 0.00 H new ATOM 0 HB VAL A 66 5.990 -8.384 -5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.674 -6.168 -6.496 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.052 -6.322 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.346 -6.481 -5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.762 -8.135 -7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.427 -8.496 -7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.165 -9.744 -7.337 1.00 0.00 H new ATOM 1041 N SER A 67 9.290 -7.426 -3.512 1.00 0.00 N ATOM 1042 CA SER A 67 9.601 -6.576 -2.321 1.00 0.00 C ATOM 1043 C SER A 67 8.430 -5.597 -2.072 1.00 0.00 C ATOM 1044 O SER A 67 7.767 -5.205 -3.012 1.00 0.00 O ATOM 1045 CB SER A 67 10.896 -5.790 -2.578 1.00 0.00 C ATOM 1046 OG SER A 67 11.763 -6.574 -3.387 1.00 0.00 O ATOM 0 H SER A 67 10.002 -7.425 -4.243 1.00 0.00 H new ATOM 0 HA SER A 67 9.735 -7.207 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.671 -4.846 -3.074 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.382 -5.546 -1.633 1.00 0.00 H new ATOM 0 HG SER A 67 12.591 -6.077 -3.556 1.00 0.00 H new ATOM 1052 N PRO A 68 8.190 -5.225 -0.824 1.00 0.00 N ATOM 1053 CA PRO A 68 7.085 -4.297 -0.496 1.00 0.00 C ATOM 1054 C PRO A 68 7.313 -2.894 -1.098 1.00 0.00 C ATOM 1055 O PRO A 68 6.385 -2.238 -1.522 1.00 0.00 O ATOM 1056 CB PRO A 68 7.089 -4.216 1.052 1.00 0.00 C ATOM 1057 CG PRO A 68 8.375 -4.928 1.551 1.00 0.00 C ATOM 1058 CD PRO A 68 8.971 -5.689 0.351 1.00 0.00 C ATOM 0 HA PRO A 68 6.138 -4.650 -0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.073 -3.177 1.382 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.201 -4.695 1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.090 -4.203 1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.143 -5.615 2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.032 -5.469 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.882 -6.767 0.484 1.00 0.00 H new ATOM 1066 N GLU A 69 8.525 -2.413 -1.092 1.00 0.00 N ATOM 1067 CA GLU A 69 8.791 -1.036 -1.614 1.00 0.00 C ATOM 1068 C GLU A 69 8.765 -1.015 -3.150 1.00 0.00 C ATOM 1069 O GLU A 69 8.568 0.021 -3.773 1.00 0.00 O ATOM 1070 CB GLU A 69 10.163 -0.586 -1.095 1.00 0.00 C ATOM 1071 CG GLU A 69 10.656 0.643 -1.868 1.00 0.00 C ATOM 1072 CD GLU A 69 11.750 1.356 -1.068 1.00 0.00 C ATOM 1073 OE1 GLU A 69 12.653 0.680 -0.604 1.00 0.00 O ATOM 1074 OE2 GLU A 69 11.665 2.566 -0.933 1.00 0.00 O ATOM 0 H GLU A 69 9.346 -2.912 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 69 8.014 -0.355 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.097 -0.352 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.881 -1.399 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.043 0.341 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.826 1.324 -2.053 1.00 0.00 H new ATOM 1081 N LEU A 70 8.937 -2.142 -3.776 1.00 0.00 N ATOM 1082 CA LEU A 70 8.903 -2.145 -5.262 1.00 0.00 C ATOM 1083 C LEU A 70 7.456 -1.895 -5.699 1.00 0.00 C ATOM 1084 O LEU A 70 7.179 -1.603 -6.846 1.00 0.00 O ATOM 1085 CB LEU A 70 9.444 -3.476 -5.807 1.00 0.00 C ATOM 1086 CG LEU A 70 10.972 -3.525 -5.663 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.469 -4.960 -5.901 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.658 -2.577 -6.667 1.00 0.00 C ATOM 0 H LEU A 70 9.097 -3.047 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 70 9.542 -1.359 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.993 -4.309 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.166 -3.588 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 70 11.227 -3.203 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.554 -4.991 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.016 -5.628 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.191 -5.280 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.739 -2.634 -6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.395 -2.871 -7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.325 -1.555 -6.488 1.00 0.00 H new ATOM 1100 N VAL A 71 6.527 -2.037 -4.785 1.00 0.00 N ATOM 1101 CA VAL A 71 5.091 -1.838 -5.139 1.00 0.00 C ATOM 1102 C VAL A 71 4.824 -0.375 -5.522 1.00 0.00 C ATOM 1103 O VAL A 71 4.297 -0.107 -6.579 1.00 0.00 O ATOM 1104 CB VAL A 71 4.188 -2.266 -3.957 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.780 -1.633 -4.053 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.058 -3.792 -3.946 1.00 0.00 C ATOM 0 H VAL A 71 6.703 -2.282 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 71 4.856 -2.461 -6.002 1.00 0.00 H new ATOM 0 HB VAL A 71 4.652 -1.916 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.177 -1.958 -3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.868 -0.547 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.302 -1.948 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.423 -4.097 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.614 -4.126 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.045 -4.240 -3.832 1.00 0.00 H new ATOM 1116 N CYS A 72 5.135 0.576 -4.689 1.00 0.00 N ATOM 1117 CA CYS A 72 4.816 1.980 -5.075 1.00 0.00 C ATOM 1118 C CYS A 72 5.646 2.397 -6.303 1.00 0.00 C ATOM 1119 O CYS A 72 5.238 3.235 -7.083 1.00 0.00 O ATOM 1120 CB CYS A 72 5.097 2.922 -3.885 1.00 0.00 C ATOM 1121 SG CYS A 72 3.820 4.194 -3.789 1.00 0.00 S ATOM 0 H CYS A 72 5.584 0.451 -3.782 1.00 0.00 H new ATOM 0 HA CYS A 72 3.760 2.049 -5.337 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.123 2.351 -2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.076 3.386 -4.002 1.00 0.00 H new ATOM 1126 N SER A 73 6.803 1.807 -6.483 1.00 0.00 N ATOM 1127 CA SER A 73 7.638 2.169 -7.674 1.00 0.00 C ATOM 1128 C SER A 73 7.084 1.516 -8.958 1.00 0.00 C ATOM 1129 O SER A 73 7.077 2.127 -10.008 1.00 0.00 O ATOM 1130 CB SER A 73 9.086 1.733 -7.449 1.00 0.00 C ATOM 1131 OG SER A 73 9.941 2.494 -8.292 1.00 0.00 O ATOM 0 H SER A 73 7.202 1.099 -5.866 1.00 0.00 H new ATOM 0 HA SER A 73 7.603 3.251 -7.799 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.363 1.877 -6.405 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.196 0.670 -7.664 1.00 0.00 H new ATOM 0 HG SER A 73 10.871 2.218 -8.150 1.00 0.00 H new ATOM 1137 N MET A 74 6.618 0.294 -8.898 1.00 0.00 N ATOM 1138 CA MET A 74 6.071 -0.361 -10.136 1.00 0.00 C ATOM 1139 C MET A 74 4.706 0.249 -10.510 1.00 0.00 C ATOM 1140 O MET A 74 4.420 0.455 -11.673 1.00 0.00 O ATOM 1141 CB MET A 74 5.902 -1.890 -9.892 1.00 0.00 C ATOM 1142 CG MET A 74 7.085 -2.689 -10.472 1.00 0.00 C ATOM 1143 SD MET A 74 6.614 -4.432 -10.663 1.00 0.00 S ATOM 1144 CE MET A 74 5.761 -4.659 -9.080 1.00 0.00 C ATOM 0 H MET A 74 6.590 -0.279 -8.054 1.00 0.00 H new ATOM 0 HA MET A 74 6.771 -0.194 -10.955 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.822 -2.082 -8.822 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.973 -2.232 -10.348 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.378 -2.274 -11.436 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.950 -2.606 -9.813 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.724 -5.721 -8.836 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.299 -4.125 -8.297 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.746 -4.268 -9.154 1.00 0.00 H new ATOM 1154 N LEU A 75 3.854 0.526 -9.560 1.00 0.00 N ATOM 1155 CA LEU A 75 2.523 1.101 -9.921 1.00 0.00 C ATOM 1156 C LEU A 75 2.677 2.563 -10.361 1.00 0.00 C ATOM 1157 O LEU A 75 1.728 3.321 -10.348 1.00 0.00 O ATOM 1158 CB LEU A 75 1.567 1.024 -8.719 1.00 0.00 C ATOM 1159 CG LEU A 75 1.469 -0.421 -8.190 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.340 -0.512 -7.159 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.181 -1.398 -9.340 1.00 0.00 C ATOM 0 H LEU A 75 4.016 0.382 -8.563 1.00 0.00 H new ATOM 0 HA LEU A 75 2.109 0.521 -10.746 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.919 1.684 -7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.578 1.377 -9.012 1.00 0.00 H new ATOM 0 HG LEU A 75 2.419 -0.688 -7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.270 -1.533 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.549 0.165 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.604 -0.232 -7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.115 -2.413 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.238 -1.131 -9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.986 -1.344 -10.073 1.00 0.00 H new ATOM 1173 N HIS A 76 3.871 2.964 -10.725 1.00 0.00 N ATOM 1174 CA HIS A 76 4.108 4.381 -11.154 1.00 0.00 C ATOM 1175 C HIS A 76 3.403 5.334 -10.186 1.00 0.00 C ATOM 1176 O HIS A 76 3.006 6.420 -10.561 1.00 0.00 O ATOM 1177 CB HIS A 76 3.591 4.602 -12.585 1.00 0.00 C ATOM 1178 CG HIS A 76 2.120 4.310 -12.665 1.00 0.00 C ATOM 1179 ND1 HIS A 76 1.163 5.191 -12.188 1.00 0.00 N ATOM 1180 CD2 HIS A 76 1.425 3.236 -13.164 1.00 0.00 C ATOM 1181 CE1 HIS A 76 -0.044 4.637 -12.408 1.00 0.00 C ATOM 1182 NE2 HIS A 76 0.058 3.445 -13.001 1.00 0.00 N ATOM 0 H HIS A 76 4.698 2.367 -10.744 1.00 0.00 H new ATOM 0 HA HIS A 76 5.179 4.581 -11.140 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.780 5.631 -12.891 1.00 0.00 H new ATOM 0 HB3 HIS A 76 4.134 3.958 -13.277 1.00 0.00 H new ATOM 0 HD1 HIS A 76 1.341 6.095 -11.750 1.00 0.00 H new ATOM 0 HD2 HIS A 76 1.871 2.362 -13.615 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.981 5.100 -12.138 1.00 0.00 H new ATOM 1190 N LEU A 77 3.230 4.949 -8.953 1.00 0.00 N ATOM 1191 CA LEU A 77 2.538 5.843 -7.978 1.00 0.00 C ATOM 1192 C LEU A 77 3.586 6.743 -7.304 1.00 0.00 C ATOM 1193 O LEU A 77 3.255 7.746 -6.702 1.00 0.00 O ATOM 1194 CB LEU A 77 1.778 4.957 -6.953 1.00 0.00 C ATOM 1195 CG LEU A 77 0.260 5.260 -6.951 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.323 5.262 -8.390 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.481 4.224 -6.076 1.00 0.00 C ATOM 0 H LEU A 77 3.538 4.053 -8.576 1.00 0.00 H new ATOM 0 HA LEU A 77 1.812 6.489 -8.471 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.939 3.905 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.184 5.124 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 77 0.115 6.257 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.391 5.478 -8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.179 6.025 -8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.168 4.285 -8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.549 4.443 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.314 3.224 -6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.103 4.274 -5.055 1.00 0.00 H new ATOM 1209 N CYS A 78 4.846 6.407 -7.433 1.00 0.00 N ATOM 1210 CA CYS A 78 5.936 7.251 -6.841 1.00 0.00 C ATOM 1211 C CYS A 78 6.950 7.545 -7.949 1.00 0.00 C ATOM 1212 O CYS A 78 7.943 6.858 -8.087 1.00 0.00 O ATOM 1213 CB CYS A 78 6.637 6.497 -5.713 1.00 0.00 C ATOM 1214 SG CYS A 78 5.613 6.549 -4.233 1.00 0.00 S ATOM 0 H CYS A 78 5.171 5.576 -7.928 1.00 0.00 H new ATOM 0 HA CYS A 78 5.515 8.171 -6.436 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.817 5.463 -6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.610 6.945 -5.511 1.00 0.00 H new