USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 ASN : amide:sc= -1.68! C(o=-7.6!,f=-13!) USER MOD Set 1.2: A 97 GLN : amide:sc= -5.92! C(o=-7.6!,f=-13!) USER MOD Set 2.1: A 13 HIS : no HE2:sc= 0.0734 K(o=-0.34,f=-2.5) USER MOD Set 2.2: A 104 CYS SG : rot 180:sc= -0.416 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -154:sc= -0.969 USER MOD Single : A 64 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.6!) USER MOD Single : A 65 THR OG1 : rot -83:sc= 0.764 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 159:sc= 0 (180deg=-0.705) USER MOD Single : A 73 GLN : amide:sc= -12.6! C(o=-13!,f=-23!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 170:sc= -1.03 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.06 K(o=-0.06,f=-1.5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.445 K(o=-0.44,f=-3.5) USER MOD Single : A 111 MET CE :methyl -136:sc= -4.05 (180deg=-8.44!) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.918 -14.212 4.096 1.00 0.00 N ATOM 84 CA TYR A 9 -8.579 -14.750 2.790 1.00 0.00 C ATOM 85 C TYR A 9 -8.089 -16.196 2.904 1.00 0.00 C ATOM 86 O TYR A 9 -7.972 -16.731 4.005 1.00 0.00 O ATOM 87 CB TYR A 9 -7.441 -13.879 2.257 1.00 0.00 C ATOM 88 CG TYR A 9 -7.908 -12.697 1.405 1.00 0.00 C ATOM 89 CD1 TYR A 9 -8.830 -12.895 0.398 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.407 -11.434 1.645 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.270 -11.784 -0.405 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.847 -10.321 0.842 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.757 -10.551 -0.143 1.00 0.00 C ATOM 94 OH TYR A 9 -9.172 -9.501 -0.900 1.00 0.00 O ATOM 0 HA TYR A 9 -9.450 -14.745 2.135 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.862 -13.500 3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.770 -14.499 1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.222 -13.884 0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.686 -11.280 2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.990 -11.926 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.463 -9.327 1.018 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.723 -8.683 -0.599 1.00 0.00 H new ATOM 104 N ILE A 10 -7.815 -16.786 1.750 1.00 0.00 N ATOM 105 CA ILE A 10 -7.341 -18.159 1.705 1.00 0.00 C ATOM 106 C ILE A 10 -5.820 -18.174 1.880 1.00 0.00 C ATOM 107 O ILE A 10 -5.243 -19.199 2.236 1.00 0.00 O ATOM 108 CB ILE A 10 -7.820 -18.850 0.427 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.540 -17.984 -0.803 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.296 -19.236 0.533 1.00 0.00 C ATOM 111 CD1 ILE A 10 -7.136 -18.846 -2.000 1.00 0.00 C ATOM 0 H ILE A 10 -7.912 -16.338 0.839 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.763 -18.735 2.528 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.254 -19.774 0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.428 -17.402 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.745 -17.273 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.611 -19.725 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.434 -19.918 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.896 -18.340 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.943 -18.206 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.234 -19.408 -1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.943 -19.540 -2.238 1.00 0.00 H new ATOM 123 N PHE A 11 -5.216 -17.024 1.622 1.00 0.00 N ATOM 124 CA PHE A 11 -3.774 -16.892 1.746 1.00 0.00 C ATOM 125 C PHE A 11 -3.400 -16.146 3.028 1.00 0.00 C ATOM 126 O PHE A 11 -4.234 -15.460 3.618 1.00 0.00 O ATOM 127 CB PHE A 11 -3.293 -16.081 0.540 1.00 0.00 C ATOM 128 CG PHE A 11 -4.078 -14.789 0.307 1.00 0.00 C ATOM 129 CD1 PHE A 11 -3.726 -13.652 0.964 1.00 0.00 C ATOM 130 CD2 PHE A 11 -5.126 -14.778 -0.560 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.454 -12.452 0.747 1.00 0.00 C ATOM 132 CE2 PHE A 11 -5.854 -13.577 -0.777 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.503 -12.440 -0.119 1.00 0.00 C ATOM 0 H PHE A 11 -5.698 -16.175 1.328 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.312 -17.879 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.240 -15.835 0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.361 -16.702 -0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.893 -13.661 1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.405 -15.681 -1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.175 -11.549 1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.687 -13.567 -1.465 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.057 -11.528 -0.284 1.00 0.00 H new ATOM 143 N PRO A 12 -2.112 -16.310 3.434 1.00 0.00 N ATOM 144 CA PRO A 12 -1.617 -15.659 4.636 1.00 0.00 C ATOM 145 C PRO A 12 -1.389 -14.166 4.397 1.00 0.00 C ATOM 146 O PRO A 12 -0.600 -13.784 3.535 1.00 0.00 O ATOM 147 CB PRO A 12 -0.342 -16.406 4.990 1.00 0.00 C ATOM 148 CG PRO A 12 0.079 -17.135 3.724 1.00 0.00 C ATOM 149 CD PRO A 12 -1.097 -17.114 2.761 1.00 0.00 C ATOM 0 HA PRO A 12 -2.329 -15.700 5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.435 -15.717 5.321 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.514 -17.108 5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.948 -16.652 3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.367 -18.161 3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.816 -16.677 1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.460 -18.121 2.558 1.00 0.00 H new ATOM 157 N HIS A 13 -2.096 -13.360 5.176 1.00 0.00 N ATOM 158 CA HIS A 13 -1.981 -11.916 5.060 1.00 0.00 C ATOM 159 C HIS A 13 -1.906 -11.293 6.456 1.00 0.00 C ATOM 160 O HIS A 13 -1.817 -12.007 7.455 1.00 0.00 O ATOM 161 CB HIS A 13 -3.123 -11.346 4.217 1.00 0.00 C ATOM 162 CG HIS A 13 -4.355 -10.990 5.014 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.837 -9.695 5.112 1.00 0.00 N ATOM 164 CD2 HIS A 13 -5.200 -11.771 5.747 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.922 -9.710 5.873 1.00 0.00 C ATOM 166 NE2 HIS A 13 -6.145 -10.997 6.266 1.00 0.00 N ATOM 0 H HIS A 13 -2.751 -13.680 5.890 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.059 -11.662 4.537 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.769 -10.455 3.698 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.395 -12.074 3.452 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.427 -8.871 4.673 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.114 -12.839 5.882 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.524 -8.853 6.136 1.00 0.00 H new ATOM 174 N ALA A 14 -1.944 -9.970 6.482 1.00 0.00 N ATOM 175 CA ALA A 14 -1.881 -9.243 7.737 1.00 0.00 C ATOM 176 C ALA A 14 -2.083 -7.750 7.470 1.00 0.00 C ATOM 177 O ALA A 14 -1.376 -7.161 6.654 1.00 0.00 O ATOM 178 CB ALA A 14 -0.551 -9.536 8.431 1.00 0.00 C ATOM 0 H ALA A 14 -2.018 -9.382 5.652 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.677 -9.568 8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.504 -8.990 9.373 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.471 -10.605 8.627 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.272 -9.222 7.788 1.00 0.00 H new ATOM 184 N ARG A 15 -3.053 -7.181 8.171 1.00 0.00 N ATOM 185 CA ARG A 15 -3.356 -5.769 8.019 1.00 0.00 C ATOM 186 C ARG A 15 -2.572 -4.944 9.042 1.00 0.00 C ATOM 187 O ARG A 15 -3.074 -4.655 10.128 1.00 0.00 O ATOM 188 CB ARG A 15 -4.852 -5.504 8.200 1.00 0.00 C ATOM 189 CG ARG A 15 -5.550 -5.352 6.846 1.00 0.00 C ATOM 190 CD ARG A 15 -6.830 -4.526 6.979 1.00 0.00 C ATOM 191 NE ARG A 15 -7.577 -4.542 5.702 1.00 0.00 N ATOM 192 CZ ARG A 15 -8.680 -3.818 5.468 1.00 0.00 C ATOM 193 NH1 ARG A 15 -9.171 -3.015 6.422 1.00 0.00 N ATOM 194 NH2 ARG A 15 -9.293 -3.896 4.279 1.00 0.00 N ATOM 0 H ARG A 15 -3.639 -7.673 8.846 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.066 -5.475 7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.305 -6.324 8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.996 -4.599 8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.875 -4.872 6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.788 -6.336 6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.451 -4.929 7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.584 -3.500 7.253 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.231 -5.142 4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.705 -2.954 7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.011 -2.464 6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.920 -4.507 3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.133 -3.345 4.101 1.00 0.00 H new ATOM 208 N ILE A 16 -1.355 -4.588 8.660 1.00 0.00 N ATOM 209 CA ILE A 16 -0.496 -3.802 9.531 1.00 0.00 C ATOM 210 C ILE A 16 -0.804 -2.316 9.336 1.00 0.00 C ATOM 211 O ILE A 16 -1.155 -1.890 8.237 1.00 0.00 O ATOM 212 CB ILE A 16 0.973 -4.162 9.301 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.276 -5.576 9.800 1.00 0.00 C ATOM 214 CG2 ILE A 16 1.897 -3.121 9.936 1.00 0.00 C ATOM 215 CD1 ILE A 16 2.631 -6.063 9.280 1.00 0.00 C ATOM 0 H ILE A 16 -0.942 -4.829 7.759 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.697 -4.035 10.577 1.00 0.00 H new ATOM 0 HB ILE A 16 1.163 -4.152 8.228 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.275 -5.589 10.890 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.491 -6.257 9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.936 -3.400 9.758 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.703 -2.144 9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.712 -3.076 11.009 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.822 -7.071 9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.621 -6.072 8.190 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.417 -5.394 9.630 1.00 0.00 H new ATOM 227 N LYS A 17 -0.659 -1.569 10.421 1.00 0.00 N ATOM 228 CA LYS A 17 -0.917 -0.139 10.383 1.00 0.00 C ATOM 229 C LYS A 17 0.399 0.606 10.151 1.00 0.00 C ATOM 230 O LYS A 17 1.476 0.053 10.367 1.00 0.00 O ATOM 231 CB LYS A 17 -1.660 0.305 11.645 1.00 0.00 C ATOM 232 CG LYS A 17 -0.756 0.212 12.875 1.00 0.00 C ATOM 233 CD LYS A 17 -1.257 1.127 13.995 1.00 0.00 C ATOM 234 CE LYS A 17 -1.300 0.385 15.332 1.00 0.00 C ATOM 235 NZ LYS A 17 -2.700 0.145 15.748 1.00 0.00 N ATOM 0 H LYS A 17 -0.367 -1.926 11.331 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.575 0.107 9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.010 1.330 11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.542 -0.318 11.790 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.723 -0.818 13.230 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.263 0.488 12.603 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.605 1.996 14.078 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.252 1.498 13.749 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.773 -0.565 15.244 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.783 0.967 16.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.710 -0.360 16.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.192 1.055 15.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.183 -0.430 15.028 1.00 0.00 H new ATOM 249 N ILE A 18 0.268 1.850 9.713 1.00 0.00 N ATOM 250 CA ILE A 18 1.434 2.676 9.449 1.00 0.00 C ATOM 251 C ILE A 18 1.387 3.917 10.344 1.00 0.00 C ATOM 252 O ILE A 18 0.486 4.746 10.214 1.00 0.00 O ATOM 253 CB ILE A 18 1.536 2.998 7.957 1.00 0.00 C ATOM 254 CG1 ILE A 18 1.336 1.738 7.111 1.00 0.00 C ATOM 255 CG2 ILE A 18 2.857 3.700 7.636 1.00 0.00 C ATOM 256 CD1 ILE A 18 2.526 0.788 7.253 1.00 0.00 C ATOM 0 H ILE A 18 -0.627 2.305 9.535 1.00 0.00 H new ATOM 0 HA ILE A 18 2.348 2.136 9.698 1.00 0.00 H new ATOM 0 HB ILE A 18 0.734 3.690 7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.422 1.230 7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.210 2.015 6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.904 3.917 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.920 4.631 8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.689 3.052 7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.358 -0.099 6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.435 1.291 6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.634 0.494 8.297 1.00 0.00 H new ATOM 268 N THR A 19 2.367 4.007 11.230 1.00 0.00 N ATOM 269 CA THR A 19 2.449 5.133 12.145 1.00 0.00 C ATOM 270 C THR A 19 3.687 5.979 11.839 1.00 0.00 C ATOM 271 O THR A 19 4.799 5.458 11.776 1.00 0.00 O ATOM 272 CB THR A 19 2.426 4.584 13.573 1.00 0.00 C ATOM 273 OG1 THR A 19 2.640 3.184 13.411 1.00 0.00 O ATOM 274 CG2 THR A 19 1.039 4.676 14.213 1.00 0.00 C ATOM 0 H THR A 19 3.112 3.318 11.334 1.00 0.00 H new ATOM 0 HA THR A 19 1.598 5.803 12.025 1.00 0.00 H new ATOM 0 HB THR A 19 3.145 5.130 14.183 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.642 2.750 14.289 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.078 4.273 15.225 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.723 5.719 14.249 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.326 4.102 13.621 1.00 0.00 H new ATOM 449 N LEU A 32 5.020 9.698 5.554 1.00 0.00 N ATOM 450 CA LEU A 32 4.914 8.295 5.194 1.00 0.00 C ATOM 451 C LEU A 32 5.927 7.978 4.092 1.00 0.00 C ATOM 452 O LEU A 32 5.781 8.437 2.960 1.00 0.00 O ATOM 453 CB LEU A 32 3.471 7.944 4.823 1.00 0.00 C ATOM 454 CG LEU A 32 2.658 7.222 5.900 1.00 0.00 C ATOM 455 CD1 LEU A 32 2.239 8.187 7.009 1.00 0.00 C ATOM 456 CD2 LEU A 32 1.459 6.496 5.287 1.00 0.00 C ATOM 0 HA LEU A 32 5.162 7.663 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.951 8.865 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.488 7.320 3.929 1.00 0.00 H new ATOM 0 HG LEU A 32 3.293 6.464 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.663 7.649 7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.127 8.617 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.628 8.984 6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.898 5.991 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.813 7.218 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.810 5.761 4.563 1.00 0.00 H new ATOM 468 N GLY A 33 6.930 7.195 4.462 1.00 0.00 N ATOM 469 CA GLY A 33 7.967 6.813 3.518 1.00 0.00 C ATOM 470 C GLY A 33 7.693 5.424 2.937 1.00 0.00 C ATOM 471 O GLY A 33 8.233 4.429 3.417 1.00 0.00 O ATOM 0 H GLY A 33 7.047 6.815 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.018 7.545 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.937 6.819 4.015 1.00 0.00 H new ATOM 475 N ILE A 34 6.854 5.401 1.912 1.00 0.00 N ATOM 476 CA ILE A 34 6.502 4.151 1.260 1.00 0.00 C ATOM 477 C ILE A 34 6.315 4.398 -0.238 1.00 0.00 C ATOM 478 O ILE A 34 5.633 5.342 -0.635 1.00 0.00 O ATOM 479 CB ILE A 34 5.284 3.519 1.936 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.068 2.085 1.449 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.037 4.384 1.741 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.439 1.222 2.544 1.00 0.00 C ATOM 0 H ILE A 34 6.407 6.228 1.517 1.00 0.00 H new ATOM 0 HA ILE A 34 7.308 3.425 1.366 1.00 0.00 H new ATOM 0 HB ILE A 34 5.477 3.469 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.424 2.089 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.021 1.653 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.186 3.911 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.206 5.369 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.830 4.489 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.296 0.208 2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.097 1.200 3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.475 1.642 2.830 1.00 0.00 H new ATOM 494 N ARG A 35 6.930 3.531 -1.029 1.00 0.00 N ATOM 495 CA ARG A 35 6.841 3.643 -2.475 1.00 0.00 C ATOM 496 C ARG A 35 6.151 2.409 -3.060 1.00 0.00 C ATOM 497 O ARG A 35 6.749 1.336 -3.136 1.00 0.00 O ATOM 498 CB ARG A 35 8.227 3.790 -3.104 1.00 0.00 C ATOM 499 CG ARG A 35 8.866 5.124 -2.715 1.00 0.00 C ATOM 500 CD ARG A 35 9.982 5.504 -3.693 1.00 0.00 C ATOM 501 NE ARG A 35 9.548 6.639 -4.538 1.00 0.00 N ATOM 502 CZ ARG A 35 10.382 7.391 -5.270 1.00 0.00 C ATOM 503 NH1 ARG A 35 11.697 7.134 -5.264 1.00 0.00 N ATOM 504 NH2 ARG A 35 9.900 8.400 -6.009 1.00 0.00 N ATOM 0 H ARG A 35 7.492 2.748 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 35 6.256 4.534 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.866 2.968 -2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.147 3.724 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.106 5.905 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.270 5.057 -1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.883 5.773 -3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.235 4.649 -4.320 1.00 0.00 H new ATOM 0 HE ARG A 35 8.553 6.863 -4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.064 6.366 -4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.331 7.707 -5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.899 8.595 -6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.534 8.972 -6.566 1.00 0.00 H new ATOM 518 N ILE A 36 4.902 2.601 -3.460 1.00 0.00 N ATOM 519 CA ILE A 36 4.126 1.517 -4.036 1.00 0.00 C ATOM 520 C ILE A 36 3.854 1.818 -5.511 1.00 0.00 C ATOM 521 O ILE A 36 3.440 2.923 -5.858 1.00 0.00 O ATOM 522 CB ILE A 36 2.858 1.270 -3.216 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.185 0.562 -1.900 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.815 0.508 -4.035 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.956 0.496 -0.992 1.00 0.00 C ATOM 0 H ILE A 36 4.409 3.492 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 36 4.689 0.585 -3.998 1.00 0.00 H new ATOM 0 HB ILE A 36 2.422 2.236 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.544 -0.446 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.991 1.090 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.924 0.346 -3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.552 1.089 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.225 -0.454 -4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.216 -0.012 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.614 1.507 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.161 -0.054 -1.496 1.00 0.00 H new ATOM 537 N VAL A 37 4.099 0.814 -6.342 1.00 0.00 N ATOM 538 CA VAL A 37 3.887 0.958 -7.772 1.00 0.00 C ATOM 539 C VAL A 37 2.647 0.159 -8.182 1.00 0.00 C ATOM 540 O VAL A 37 2.565 -1.041 -7.923 1.00 0.00 O ATOM 541 CB VAL A 37 5.146 0.540 -8.533 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.811 0.146 -9.973 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.201 1.647 -8.499 1.00 0.00 C ATOM 0 H VAL A 37 4.442 -0.102 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 37 3.701 2.001 -8.027 1.00 0.00 H new ATOM 0 HB VAL A 37 5.563 -0.335 -8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.724 -0.147 -10.492 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.112 -0.690 -9.968 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.358 0.994 -10.486 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.086 1.323 -9.047 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.798 2.548 -8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.473 1.859 -7.465 1.00 0.00 H new ATOM 553 N GLY A 38 1.715 0.857 -8.814 1.00 0.00 N ATOM 554 CA GLY A 38 0.485 0.228 -9.262 1.00 0.00 C ATOM 555 C GLY A 38 0.530 -0.057 -10.764 1.00 0.00 C ATOM 556 O GLY A 38 1.202 0.649 -11.514 1.00 0.00 O ATOM 0 H GLY A 38 1.787 1.852 -9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.329 -0.703 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.362 0.876 -9.036 1.00 0.00 H new ATOM 560 N GLY A 39 -0.196 -1.093 -11.160 1.00 0.00 N ATOM 561 CA GLY A 39 -0.247 -1.480 -12.560 1.00 0.00 C ATOM 562 C GLY A 39 0.711 -2.638 -12.844 1.00 0.00 C ATOM 563 O GLY A 39 0.926 -3.001 -14.000 1.00 0.00 O ATOM 0 H GLY A 39 -0.754 -1.676 -10.536 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.264 -1.771 -12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.013 -0.627 -13.187 1.00 0.00 H new ATOM 567 N LYS A 40 1.260 -3.186 -11.771 1.00 0.00 N ATOM 568 CA LYS A 40 2.190 -4.297 -11.890 1.00 0.00 C ATOM 569 C LYS A 40 1.409 -5.612 -11.894 1.00 0.00 C ATOM 570 O LYS A 40 0.483 -5.791 -11.105 1.00 0.00 O ATOM 571 CB LYS A 40 3.259 -4.220 -10.799 1.00 0.00 C ATOM 572 CG LYS A 40 4.551 -4.907 -11.248 1.00 0.00 C ATOM 573 CD LYS A 40 5.299 -4.053 -12.274 1.00 0.00 C ATOM 574 CE LYS A 40 6.812 -4.228 -12.135 1.00 0.00 C ATOM 575 NZ LYS A 40 7.494 -3.858 -13.396 1.00 0.00 N ATOM 0 H LYS A 40 1.079 -2.882 -10.814 1.00 0.00 H new ATOM 0 HA LYS A 40 2.729 -4.243 -12.836 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.463 -3.177 -10.557 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.889 -4.692 -9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.191 -5.087 -10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.318 -5.880 -11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.988 -4.332 -13.281 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.037 -3.004 -12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.182 -3.608 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.043 -5.262 -11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.521 -3.982 -13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.153 -4.467 -14.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.288 -2.864 -13.623 1.00 0.00 H new ATOM 589 N GLU A 41 1.810 -6.500 -12.793 1.00 0.00 N ATOM 590 CA GLU A 41 1.160 -7.793 -12.910 1.00 0.00 C ATOM 591 C GLU A 41 1.551 -8.692 -11.736 1.00 0.00 C ATOM 592 O GLU A 41 2.735 -8.907 -11.481 1.00 0.00 O ATOM 593 CB GLU A 41 1.498 -8.458 -14.246 1.00 0.00 C ATOM 594 CG GLU A 41 0.286 -9.201 -14.811 1.00 0.00 C ATOM 595 CD GLU A 41 0.525 -9.615 -16.265 1.00 0.00 C ATOM 596 OE1 GLU A 41 1.143 -10.684 -16.456 1.00 0.00 O ATOM 597 OE2 GLU A 41 0.084 -8.852 -17.152 1.00 0.00 O ATOM 0 H GLU A 41 2.578 -6.348 -13.447 1.00 0.00 H new ATOM 0 HA GLU A 41 0.081 -7.639 -12.881 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.831 -7.703 -14.958 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.325 -9.155 -14.110 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.082 -10.085 -14.206 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.596 -8.564 -14.751 1.00 0.00 H new ATOM 604 N ILE A 42 0.533 -9.194 -11.051 1.00 0.00 N ATOM 605 CA ILE A 42 0.756 -10.065 -9.910 1.00 0.00 C ATOM 606 C ILE A 42 1.117 -11.467 -10.406 1.00 0.00 C ATOM 607 O ILE A 42 0.486 -11.987 -11.324 1.00 0.00 O ATOM 608 CB ILE A 42 -0.453 -10.038 -8.972 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.852 -8.600 -8.635 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.189 -10.870 -7.716 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.356 -8.497 -8.371 1.00 0.00 C ATOM 0 H ILE A 42 -0.448 -9.014 -11.265 1.00 0.00 H new ATOM 0 HA ILE A 42 1.599 -9.709 -9.318 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.298 -10.494 -9.488 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.301 -8.262 -7.757 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.577 -7.940 -9.458 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.063 -10.835 -7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.011 -11.903 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.674 -10.466 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.614 -7.465 -8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.904 -8.813 -9.259 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.623 -9.140 -7.532 1.00 0.00 H new ATOM 623 N PRO A 43 2.160 -12.053 -9.761 1.00 0.00 N ATOM 624 CA PRO A 43 2.614 -13.384 -10.127 1.00 0.00 C ATOM 625 C PRO A 43 1.649 -14.454 -9.611 1.00 0.00 C ATOM 626 O PRO A 43 2.002 -15.247 -8.741 1.00 0.00 O ATOM 627 CB PRO A 43 4.006 -13.504 -9.529 1.00 0.00 C ATOM 628 CG PRO A 43 4.096 -12.424 -8.463 1.00 0.00 C ATOM 629 CD PRO A 43 2.933 -11.468 -8.669 1.00 0.00 C ATOM 0 HA PRO A 43 2.644 -13.535 -11.206 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.162 -14.493 -9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.772 -13.365 -10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.055 -12.866 -7.467 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.045 -11.893 -8.537 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.332 -11.375 -7.764 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.283 -10.468 -8.923 1.00 0.00 H new ATOM 637 N GLY A 44 0.448 -14.441 -10.171 1.00 0.00 N ATOM 638 CA GLY A 44 -0.572 -15.399 -9.779 1.00 0.00 C ATOM 639 C GLY A 44 -1.870 -14.690 -9.390 1.00 0.00 C ATOM 640 O GLY A 44 -2.155 -14.515 -8.206 1.00 0.00 O ATOM 0 H GLY A 44 0.158 -13.782 -10.893 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.763 -16.089 -10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.213 -15.994 -8.940 1.00 0.00 H new ATOM 644 N HIS A 45 -2.624 -14.302 -10.408 1.00 0.00 N ATOM 645 CA HIS A 45 -3.885 -13.615 -10.188 1.00 0.00 C ATOM 646 C HIS A 45 -4.649 -13.506 -11.509 1.00 0.00 C ATOM 647 O HIS A 45 -5.215 -12.459 -11.818 1.00 0.00 O ATOM 648 CB HIS A 45 -3.655 -12.257 -9.522 1.00 0.00 C ATOM 649 CG HIS A 45 -4.565 -11.987 -8.346 1.00 0.00 C ATOM 650 ND1 HIS A 45 -5.548 -11.013 -8.369 1.00 0.00 N ATOM 651 CD2 HIS A 45 -4.630 -12.573 -7.117 1.00 0.00 C ATOM 652 CE1 HIS A 45 -6.170 -11.022 -7.198 1.00 0.00 C ATOM 653 NE2 HIS A 45 -5.599 -11.988 -6.424 1.00 0.00 N ATOM 0 H HIS A 45 -2.385 -14.451 -11.388 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.502 -14.192 -9.499 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.619 -12.199 -9.188 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.795 -11.471 -10.264 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.758 -10.394 -9.152 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.000 -13.377 -6.767 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.986 -10.377 -6.908 1.00 0.00 H new ATOM 661 N SER A 46 -4.640 -14.603 -12.252 1.00 0.00 N ATOM 662 CA SER A 46 -5.324 -14.644 -13.533 1.00 0.00 C ATOM 663 C SER A 46 -5.018 -13.377 -14.332 1.00 0.00 C ATOM 664 O SER A 46 -5.927 -12.632 -14.694 1.00 0.00 O ATOM 665 CB SER A 46 -6.835 -14.802 -13.345 1.00 0.00 C ATOM 666 OG SER A 46 -7.361 -15.874 -14.121 1.00 0.00 O ATOM 0 H SER A 46 -4.170 -15.470 -11.991 1.00 0.00 H new ATOM 0 HA SER A 46 -4.961 -15.510 -14.087 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.053 -14.977 -12.291 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.334 -13.874 -13.624 1.00 0.00 H new ATOM 0 HG SER A 46 -8.327 -15.943 -13.972 1.00 0.00 H new ATOM 672 N GLY A 47 -3.734 -13.169 -14.582 1.00 0.00 N ATOM 673 CA GLY A 47 -3.295 -12.004 -15.331 1.00 0.00 C ATOM 674 C GLY A 47 -4.020 -10.742 -14.855 1.00 0.00 C ATOM 675 O GLY A 47 -4.822 -10.168 -15.590 1.00 0.00 O ATOM 0 H GLY A 47 -2.983 -13.788 -14.279 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.219 -11.876 -15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.484 -12.158 -16.393 1.00 0.00 H new ATOM 679 N GLU A 48 -3.710 -10.348 -13.628 1.00 0.00 N ATOM 680 CA GLU A 48 -4.320 -9.166 -13.046 1.00 0.00 C ATOM 681 C GLU A 48 -3.243 -8.232 -12.489 1.00 0.00 C ATOM 682 O GLU A 48 -2.253 -8.690 -11.920 1.00 0.00 O ATOM 683 CB GLU A 48 -5.330 -9.547 -11.962 1.00 0.00 C ATOM 684 CG GLU A 48 -6.153 -8.332 -11.527 1.00 0.00 C ATOM 685 CD GLU A 48 -7.310 -8.079 -12.495 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.032 -8.032 -13.712 1.00 0.00 O ATOM 687 OE2 GLU A 48 -8.447 -7.938 -11.995 1.00 0.00 O ATOM 0 H GLU A 48 -3.044 -10.827 -13.022 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.861 -8.637 -13.830 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.995 -10.325 -12.337 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.806 -9.962 -11.101 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.543 -8.494 -10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.512 -7.451 -11.482 1.00 0.00 H new ATOM 694 N ILE A 49 -3.473 -6.939 -12.671 1.00 0.00 N ATOM 695 CA ILE A 49 -2.535 -5.938 -12.193 1.00 0.00 C ATOM 696 C ILE A 49 -2.859 -5.595 -10.738 1.00 0.00 C ATOM 697 O ILE A 49 -3.846 -6.082 -10.186 1.00 0.00 O ATOM 698 CB ILE A 49 -2.527 -4.724 -13.123 1.00 0.00 C ATOM 699 CG1 ILE A 49 -3.950 -4.227 -13.389 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.777 -5.033 -14.421 1.00 0.00 C ATOM 701 CD1 ILE A 49 -3.940 -2.786 -13.903 1.00 0.00 C ATOM 0 H ILE A 49 -4.295 -6.562 -13.143 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.518 -6.330 -12.210 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.991 -3.916 -12.625 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.434 -4.874 -14.120 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.537 -4.286 -12.472 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.786 -4.153 -15.065 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.747 -5.303 -14.190 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.264 -5.863 -14.934 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.963 -2.457 -14.084 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.477 -2.138 -13.159 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.373 -2.735 -14.832 1.00 0.00 H new ATOM 713 N GLY A 50 -2.012 -4.759 -10.157 1.00 0.00 N ATOM 714 CA GLY A 50 -2.196 -4.345 -8.776 1.00 0.00 C ATOM 715 C GLY A 50 -1.061 -3.423 -8.324 1.00 0.00 C ATOM 716 O GLY A 50 -0.378 -2.822 -9.152 1.00 0.00 O ATOM 0 H GLY A 50 -1.196 -4.356 -10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.151 -3.830 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.235 -5.223 -8.131 1.00 0.00 H new ATOM 720 N ALA A 51 -0.897 -3.339 -7.012 1.00 0.00 N ATOM 721 CA ALA A 51 0.143 -2.501 -6.440 1.00 0.00 C ATOM 722 C ALA A 51 1.014 -3.342 -5.505 1.00 0.00 C ATOM 723 O ALA A 51 0.530 -4.285 -4.882 1.00 0.00 O ATOM 724 CB ALA A 51 -0.499 -1.309 -5.726 1.00 0.00 C ATOM 0 H ALA A 51 -1.467 -3.838 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 51 0.790 -2.103 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.280 -0.679 -5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.082 -0.728 -6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.153 -1.670 -4.932 1.00 0.00 H new ATOM 730 N TYR A 52 2.284 -2.969 -5.437 1.00 0.00 N ATOM 731 CA TYR A 52 3.226 -3.677 -4.588 1.00 0.00 C ATOM 732 C TYR A 52 4.354 -2.751 -4.130 1.00 0.00 C ATOM 733 O TYR A 52 4.736 -1.828 -4.849 1.00 0.00 O ATOM 734 CB TYR A 52 3.818 -4.792 -5.455 1.00 0.00 C ATOM 735 CG TYR A 52 4.944 -4.328 -6.383 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.646 -3.856 -7.645 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.255 -4.381 -5.956 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.705 -3.420 -8.517 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.314 -3.945 -6.830 1.00 0.00 C ATOM 740 CZ TYR A 52 6.986 -3.486 -8.067 1.00 0.00 C ATOM 741 OH TYR A 52 7.987 -3.074 -8.892 1.00 0.00 O ATOM 0 H TYR A 52 2.682 -2.186 -5.956 1.00 0.00 H new ATOM 0 HA TYR A 52 2.728 -4.059 -3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.198 -5.580 -4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.023 -5.231 -6.057 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.619 -3.814 -7.978 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.487 -4.749 -4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.487 -3.048 -9.507 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.345 -3.982 -6.510 1.00 0.00 H new ATOM 0 HH TYR A 52 8.849 -3.177 -8.437 1.00 0.00 H new ATOM 751 N ILE A 53 4.856 -3.028 -2.936 1.00 0.00 N ATOM 752 CA ILE A 53 5.933 -2.231 -2.373 1.00 0.00 C ATOM 753 C ILE A 53 7.126 -2.244 -3.331 1.00 0.00 C ATOM 754 O ILE A 53 7.743 -3.286 -3.546 1.00 0.00 O ATOM 755 CB ILE A 53 6.274 -2.711 -0.960 1.00 0.00 C ATOM 756 CG1 ILE A 53 5.075 -2.549 -0.023 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.520 -2.003 -0.426 1.00 0.00 C ATOM 758 CD1 ILE A 53 5.449 -2.919 1.414 1.00 0.00 C ATOM 0 H ILE A 53 4.537 -3.794 -2.342 1.00 0.00 H new ATOM 0 HA ILE A 53 5.621 -1.192 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 53 6.505 -3.775 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.719 -1.519 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.255 -3.181 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.740 -2.362 0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.366 -2.213 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.343 -0.928 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.580 -2.795 2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.781 -3.957 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.253 -2.269 1.760 1.00 0.00 H new ATOM 770 N ALA A 54 7.415 -1.074 -3.881 1.00 0.00 N ATOM 771 CA ALA A 54 8.523 -0.937 -4.810 1.00 0.00 C ATOM 772 C ALA A 54 9.794 -0.586 -4.035 1.00 0.00 C ATOM 773 O ALA A 54 10.811 -1.268 -4.160 1.00 0.00 O ATOM 774 CB ALA A 54 8.177 0.114 -5.867 1.00 0.00 C ATOM 0 H ALA A 54 6.901 -0.212 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 54 8.704 -1.877 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.009 0.217 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.284 -0.196 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.991 1.072 -5.381 1.00 0.00 H new ATOM 780 N LYS A 55 9.696 0.476 -3.249 1.00 0.00 N ATOM 781 CA LYS A 55 10.825 0.926 -2.454 1.00 0.00 C ATOM 782 C LYS A 55 10.349 1.243 -1.034 1.00 0.00 C ATOM 783 O LYS A 55 9.237 1.733 -0.844 1.00 0.00 O ATOM 784 CB LYS A 55 11.533 2.096 -3.140 1.00 0.00 C ATOM 785 CG LYS A 55 12.442 2.839 -2.159 1.00 0.00 C ATOM 786 CD LYS A 55 13.773 2.107 -1.983 1.00 0.00 C ATOM 787 CE LYS A 55 14.835 3.034 -1.387 1.00 0.00 C ATOM 788 NZ LYS A 55 15.533 2.367 -0.265 1.00 0.00 N ATOM 0 H LYS A 55 8.851 1.038 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 55 11.572 0.136 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.123 1.727 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.793 2.784 -3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.624 3.851 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.943 2.931 -1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.634 1.243 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.114 1.729 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.555 3.314 -2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.368 3.955 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.250 3.009 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.845 2.121 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.995 1.501 -0.609 1.00 0.00 H new ATOM 802 N ILE A 56 11.214 0.950 -0.075 1.00 0.00 N ATOM 803 CA ILE A 56 10.896 1.197 1.322 1.00 0.00 C ATOM 804 C ILE A 56 11.917 2.175 1.907 1.00 0.00 C ATOM 805 O ILE A 56 13.069 1.811 2.139 1.00 0.00 O ATOM 806 CB ILE A 56 10.796 -0.121 2.090 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.512 -0.871 1.728 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.919 0.112 3.598 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.090 -1.812 2.859 1.00 0.00 C ATOM 0 H ILE A 56 12.135 0.544 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 56 9.916 1.666 1.413 1.00 0.00 H new ATOM 0 HB ILE A 56 11.632 -0.754 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.714 -0.157 1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.666 -1.443 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.845 -0.842 4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.882 0.572 3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.118 0.772 3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.175 -2.333 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.881 -2.540 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.913 -1.234 3.766 1.00 0.00 H new ATOM 821 N LEU A 57 11.458 3.398 2.131 1.00 0.00 N ATOM 822 CA LEU A 57 12.317 4.430 2.685 1.00 0.00 C ATOM 823 C LEU A 57 13.188 3.825 3.787 1.00 0.00 C ATOM 824 O LEU A 57 12.787 2.865 4.444 1.00 0.00 O ATOM 825 CB LEU A 57 11.484 5.629 3.146 1.00 0.00 C ATOM 826 CG LEU A 57 11.035 6.596 2.049 1.00 0.00 C ATOM 827 CD1 LEU A 57 12.130 7.618 1.738 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.588 5.836 0.798 1.00 0.00 C ATOM 0 H LEU A 57 10.502 3.697 1.939 1.00 0.00 H new ATOM 0 HA LEU A 57 12.992 4.815 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.597 5.255 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.064 6.188 3.880 1.00 0.00 H new ATOM 0 HG LEU A 57 10.171 7.151 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.785 8.293 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.359 8.191 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.027 7.099 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.274 6.547 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.417 5.239 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.754 5.181 1.049 1.00 0.00 H new ATOM 840 N PRO A 58 14.395 4.427 3.961 1.00 0.00 N ATOM 841 CA PRO A 58 15.327 3.957 4.973 1.00 0.00 C ATOM 842 C PRO A 58 14.875 4.381 6.372 1.00 0.00 C ATOM 843 O PRO A 58 15.096 5.519 6.782 1.00 0.00 O ATOM 844 CB PRO A 58 16.669 4.550 4.577 1.00 0.00 C ATOM 845 CG PRO A 58 16.355 5.699 3.633 1.00 0.00 C ATOM 846 CD PRO A 58 14.903 5.566 3.201 1.00 0.00 C ATOM 0 HA PRO A 58 15.386 2.870 5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 58 17.214 4.902 5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.297 3.804 4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.519 6.656 4.129 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.015 5.672 2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.339 6.473 3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.823 5.394 2.128 1.00 0.00 H new ATOM 854 N GLY A 59 14.251 3.441 7.067 1.00 0.00 N ATOM 855 CA GLY A 59 13.766 3.704 8.412 1.00 0.00 C ATOM 856 C GLY A 59 12.650 4.751 8.399 1.00 0.00 C ATOM 857 O GLY A 59 12.651 5.673 9.213 1.00 0.00 O ATOM 0 H GLY A 59 14.070 2.497 6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.397 2.780 8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.588 4.052 9.037 1.00 0.00 H new ATOM 861 N GLY A 60 11.727 4.573 7.465 1.00 0.00 N ATOM 862 CA GLY A 60 10.608 5.491 7.336 1.00 0.00 C ATOM 863 C GLY A 60 9.419 5.031 8.182 1.00 0.00 C ATOM 864 O GLY A 60 9.602 4.441 9.246 1.00 0.00 O ATOM 0 H GLY A 60 11.731 3.807 6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.915 6.490 7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.309 5.560 6.290 1.00 0.00 H new ATOM 868 N SER A 61 8.229 5.318 7.678 1.00 0.00 N ATOM 869 CA SER A 61 7.010 4.941 8.374 1.00 0.00 C ATOM 870 C SER A 61 6.690 3.469 8.108 1.00 0.00 C ATOM 871 O SER A 61 6.202 2.766 8.992 1.00 0.00 O ATOM 872 CB SER A 61 5.837 5.825 7.948 1.00 0.00 C ATOM 873 OG SER A 61 6.171 7.210 7.980 1.00 0.00 O ATOM 0 H SER A 61 8.082 5.808 6.795 1.00 0.00 H new ATOM 0 HA SER A 61 7.168 5.084 9.443 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.524 5.551 6.940 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.988 5.642 8.606 1.00 0.00 H new ATOM 0 HG SER A 61 5.357 7.740 8.113 1.00 0.00 H new ATOM 879 N ALA A 62 6.978 3.045 6.887 1.00 0.00 N ATOM 880 CA ALA A 62 6.727 1.669 6.493 1.00 0.00 C ATOM 881 C ALA A 62 7.809 0.766 7.091 1.00 0.00 C ATOM 882 O ALA A 62 7.503 -0.174 7.822 1.00 0.00 O ATOM 883 CB ALA A 62 6.670 1.576 4.967 1.00 0.00 C ATOM 0 H ALA A 62 7.383 3.630 6.157 1.00 0.00 H new ATOM 0 HA ALA A 62 5.765 1.330 6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.482 0.544 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.868 2.212 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.620 1.906 4.547 1.00 0.00 H new ATOM 889 N GLU A 63 9.052 1.085 6.759 1.00 0.00 N ATOM 890 CA GLU A 63 10.180 0.315 7.254 1.00 0.00 C ATOM 891 C GLU A 63 10.100 0.177 8.775 1.00 0.00 C ATOM 892 O GLU A 63 10.643 -0.769 9.345 1.00 0.00 O ATOM 893 CB GLU A 63 11.505 0.951 6.829 1.00 0.00 C ATOM 894 CG GLU A 63 12.679 0.012 7.115 1.00 0.00 C ATOM 895 CD GLU A 63 13.034 -0.815 5.878 1.00 0.00 C ATOM 896 OE1 GLU A 63 12.386 -1.867 5.693 1.00 0.00 O ATOM 897 OE2 GLU A 63 13.947 -0.376 5.145 1.00 0.00 O ATOM 0 H GLU A 63 9.302 1.866 6.153 1.00 0.00 H new ATOM 0 HA GLU A 63 10.137 -0.682 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.475 1.188 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.649 1.891 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.546 0.593 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.425 -0.653 7.941 1.00 0.00 H new ATOM 904 N GLN A 64 9.421 1.134 9.390 1.00 0.00 N ATOM 905 CA GLN A 64 9.265 1.130 10.835 1.00 0.00 C ATOM 906 C GLN A 64 8.608 -0.173 11.294 1.00 0.00 C ATOM 907 O GLN A 64 9.183 -0.916 12.088 1.00 0.00 O ATOM 908 CB GLN A 64 8.459 2.344 11.302 1.00 0.00 C ATOM 909 CG GLN A 64 9.370 3.394 11.942 1.00 0.00 C ATOM 910 CD GLN A 64 9.036 3.580 13.423 1.00 0.00 C ATOM 911 OE1 GLN A 64 7.928 3.338 13.871 1.00 0.00 O ATOM 912 NE2 GLN A 64 10.054 4.023 14.155 1.00 0.00 N ATOM 0 H GLN A 64 8.973 1.917 8.915 1.00 0.00 H new ATOM 0 HA GLN A 64 10.254 1.195 11.288 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.932 2.783 10.455 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.702 2.028 12.020 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.411 3.090 11.836 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.260 4.344 11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.956 4.206 13.716 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.932 4.180 15.155 1.00 0.00 H new ATOM 921 N THR A 65 7.413 -0.412 10.774 1.00 0.00 N ATOM 922 CA THR A 65 6.672 -1.613 11.121 1.00 0.00 C ATOM 923 C THR A 65 7.608 -2.823 11.168 1.00 0.00 C ATOM 924 O THR A 65 7.732 -3.477 12.202 1.00 0.00 O ATOM 925 CB THR A 65 5.527 -1.768 10.118 1.00 0.00 C ATOM 926 OG1 THR A 65 6.183 -1.901 8.860 1.00 0.00 O ATOM 927 CG2 THR A 65 4.697 -0.491 9.973 1.00 0.00 C ATOM 0 H THR A 65 6.939 0.206 10.115 1.00 0.00 H new ATOM 0 HA THR A 65 6.241 -1.537 12.119 1.00 0.00 H new ATOM 0 HB THR A 65 4.879 -2.587 10.431 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.406 -1.013 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.899 -0.656 9.250 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.264 -0.227 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.337 0.321 9.628 1.00 0.00 H new ATOM 935 N GLY A 66 8.243 -3.082 10.034 1.00 0.00 N ATOM 936 CA GLY A 66 9.165 -4.201 9.932 1.00 0.00 C ATOM 937 C GLY A 66 8.608 -5.287 9.008 1.00 0.00 C ATOM 938 O GLY A 66 9.286 -5.721 8.078 1.00 0.00 O ATOM 0 H GLY A 66 8.137 -2.537 9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.125 -3.852 9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.347 -4.619 10.922 1.00 0.00 H new ATOM 942 N LYS A 67 7.382 -5.693 9.297 1.00 0.00 N ATOM 943 CA LYS A 67 6.727 -6.719 8.505 1.00 0.00 C ATOM 944 C LYS A 67 6.676 -6.273 7.042 1.00 0.00 C ATOM 945 O LYS A 67 6.692 -7.104 6.135 1.00 0.00 O ATOM 946 CB LYS A 67 5.355 -7.057 9.092 1.00 0.00 C ATOM 947 CG LYS A 67 5.364 -8.440 9.748 1.00 0.00 C ATOM 948 CD LYS A 67 4.613 -8.420 11.081 1.00 0.00 C ATOM 949 CE LYS A 67 3.362 -9.298 11.019 1.00 0.00 C ATOM 950 NZ LYS A 67 2.343 -8.815 11.977 1.00 0.00 N ATOM 0 H LYS A 67 6.824 -5.330 10.070 1.00 0.00 H new ATOM 0 HA LYS A 67 7.299 -7.646 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.075 -6.303 9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.602 -7.029 8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.904 -9.167 9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.392 -8.762 9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.269 -8.771 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.331 -7.397 11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.953 -9.288 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.624 -10.331 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.500 -9.422 11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.731 -8.847 12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.081 -7.837 11.741 1.00 0.00 H new ATOM 964 N LEU A 68 6.615 -4.962 6.859 1.00 0.00 N ATOM 965 CA LEU A 68 6.562 -4.396 5.522 1.00 0.00 C ATOM 966 C LEU A 68 7.942 -4.507 4.870 1.00 0.00 C ATOM 967 O LEU A 68 8.938 -4.066 5.440 1.00 0.00 O ATOM 968 CB LEU A 68 6.017 -2.967 5.567 1.00 0.00 C ATOM 969 CG LEU A 68 4.495 -2.831 5.633 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.859 -3.103 4.268 1.00 0.00 C ATOM 971 CD2 LEU A 68 3.911 -3.730 6.726 1.00 0.00 C ATOM 0 H LEU A 68 6.601 -4.276 7.614 1.00 0.00 H new ATOM 0 HA LEU A 68 5.868 -4.959 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.445 -2.463 6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.371 -2.436 4.683 1.00 0.00 H new ATOM 0 HG LEU A 68 4.256 -1.801 5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.777 -2.999 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.242 -2.388 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.105 -4.115 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.827 -3.614 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.160 -4.770 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.329 -3.447 7.692 1.00 0.00 H new ATOM 983 N MET A 69 7.955 -5.099 3.685 1.00 0.00 N ATOM 984 CA MET A 69 9.197 -5.274 2.950 1.00 0.00 C ATOM 985 C MET A 69 8.941 -5.303 1.441 1.00 0.00 C ATOM 986 O MET A 69 7.859 -5.686 0.998 1.00 0.00 O ATOM 987 CB MET A 69 9.865 -6.581 3.379 1.00 0.00 C ATOM 988 CG MET A 69 10.741 -7.144 2.258 1.00 0.00 C ATOM 989 SD MET A 69 11.865 -8.364 2.915 1.00 0.00 S ATOM 990 CE MET A 69 11.175 -9.843 2.190 1.00 0.00 C ATOM 0 H MET A 69 7.126 -5.464 3.215 1.00 0.00 H new ATOM 0 HA MET A 69 9.851 -4.431 3.173 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.472 -6.408 4.268 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.102 -7.311 3.651 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.115 -7.593 1.487 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.302 -6.338 1.784 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.762 -10.708 2.500 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.144 -9.965 2.524 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.197 -9.760 1.103 1.00 0.00 H new ATOM 1000 N GLU A 70 9.954 -4.891 0.694 1.00 0.00 N ATOM 1001 CA GLU A 70 9.853 -4.865 -0.756 1.00 0.00 C ATOM 1002 C GLU A 70 9.467 -6.247 -1.286 1.00 0.00 C ATOM 1003 O GLU A 70 9.793 -7.263 -0.675 1.00 0.00 O ATOM 1004 CB GLU A 70 11.159 -4.379 -1.388 1.00 0.00 C ATOM 1005 CG GLU A 70 11.607 -3.053 -0.770 1.00 0.00 C ATOM 1006 CD GLU A 70 13.055 -3.138 -0.280 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.297 -3.955 0.635 1.00 0.00 O ATOM 1008 OE2 GLU A 70 13.885 -2.384 -0.831 1.00 0.00 O ATOM 0 H GLU A 70 10.849 -4.572 1.065 1.00 0.00 H new ATOM 0 HA GLU A 70 9.070 -4.160 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.936 -5.130 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.024 -4.256 -2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.515 -2.255 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.952 -2.796 0.062 1.00 0.00 H new ATOM 1015 N GLY A 71 8.780 -6.240 -2.419 1.00 0.00 N ATOM 1016 CA GLY A 71 8.348 -7.482 -3.039 1.00 0.00 C ATOM 1017 C GLY A 71 7.001 -7.937 -2.473 1.00 0.00 C ATOM 1018 O GLY A 71 6.423 -8.914 -2.946 1.00 0.00 O ATOM 0 H GLY A 71 8.512 -5.395 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.266 -7.345 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.097 -8.256 -2.872 1.00 0.00 H new ATOM 1022 N MET A 72 6.540 -7.206 -1.468 1.00 0.00 N ATOM 1023 CA MET A 72 5.273 -7.523 -0.832 1.00 0.00 C ATOM 1024 C MET A 72 4.102 -6.938 -1.624 1.00 0.00 C ATOM 1025 O MET A 72 4.066 -5.738 -1.893 1.00 0.00 O ATOM 1026 CB MET A 72 5.259 -6.957 0.589 1.00 0.00 C ATOM 1027 CG MET A 72 6.118 -7.809 1.526 1.00 0.00 C ATOM 1028 SD MET A 72 5.173 -9.200 2.126 1.00 0.00 S ATOM 1029 CE MET A 72 5.023 -8.752 3.848 1.00 0.00 C ATOM 0 H MET A 72 7.022 -6.395 -1.079 1.00 0.00 H new ATOM 0 HA MET A 72 5.164 -8.607 -0.802 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.631 -5.932 0.580 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.235 -6.921 0.960 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.005 -8.161 0.999 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.464 -7.205 2.365 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.179 -9.282 4.290 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.937 -9.023 4.376 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.861 -7.677 3.932 1.00 0.00 H new ATOM 1039 N GLN A 73 3.171 -7.814 -1.977 1.00 0.00 N ATOM 1040 CA GLN A 73 2.003 -7.401 -2.734 1.00 0.00 C ATOM 1041 C GLN A 73 1.082 -6.543 -1.862 1.00 0.00 C ATOM 1042 O GLN A 73 0.989 -6.756 -0.655 1.00 0.00 O ATOM 1043 CB GLN A 73 1.255 -8.612 -3.294 1.00 0.00 C ATOM 1044 CG GLN A 73 0.205 -8.182 -4.321 1.00 0.00 C ATOM 1045 CD GLN A 73 -1.053 -7.651 -3.632 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -1.188 -7.682 -2.420 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -1.963 -7.162 -4.470 1.00 0.00 N ATOM 0 H GLN A 73 3.203 -8.808 -1.752 1.00 0.00 H new ATOM 0 HA GLN A 73 2.337 -6.799 -3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.963 -9.298 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.773 -9.154 -2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.621 -7.411 -4.970 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.054 -9.028 -4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.786 -7.167 -5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.838 -6.782 -4.108 1.00 0.00 H new ATOM 1056 N VAL A 74 0.427 -5.590 -2.508 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.483 -4.700 -1.807 1.00 0.00 C ATOM 1058 C VAL A 74 -1.906 -4.923 -2.321 1.00 0.00 C ATOM 1059 O VAL A 74 -2.222 -4.573 -3.458 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.014 -3.250 -1.957 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.012 -2.283 -1.318 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.385 -3.063 -1.366 1.00 0.00 C ATOM 0 H VAL A 74 0.508 -5.415 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.485 -4.920 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 74 0.039 -3.023 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.655 -1.260 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.982 -2.388 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.110 -2.510 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.695 -2.025 -1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.369 -3.317 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.089 -3.713 -1.885 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.727 -5.504 -1.459 1.00 0.00 N ATOM 1073 CA LEU A 75 -4.109 -5.779 -1.812 1.00 0.00 C ATOM 1074 C LEU A 75 -4.942 -4.509 -1.623 1.00 0.00 C ATOM 1075 O LEU A 75 -5.585 -4.039 -2.559 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.635 -6.981 -1.023 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.748 -8.227 -1.032 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -4.168 -9.206 0.067 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.738 -8.885 -2.413 1.00 0.00 C ATOM 0 H LEU A 75 -2.462 -5.792 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.185 -6.058 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.786 -6.674 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.613 -7.252 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.725 -7.919 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.522 -10.083 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.080 -8.721 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.202 -9.512 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.100 -9.768 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.752 -9.177 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.355 -8.179 -3.150 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.901 -3.989 -0.405 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.643 -2.782 -0.081 1.00 0.00 C ATOM 1093 C GLU A 76 -4.793 -1.853 0.788 1.00 0.00 C ATOM 1094 O GLU A 76 -3.940 -2.314 1.545 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.966 -3.121 0.611 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.781 -4.113 -0.222 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.855 -4.791 0.632 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -8.490 -5.268 1.730 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -10.015 -4.820 0.168 1.00 0.00 O ATOM 0 H GLU A 76 -4.366 -4.381 0.369 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.879 -2.263 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.768 -3.544 1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.544 -2.210 0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.250 -3.593 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.119 -4.867 -0.647 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.054 -0.561 0.648 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.323 0.436 1.410 1.00 0.00 C ATOM 1108 C TRP A 77 -5.342 1.360 2.079 1.00 0.00 C ATOM 1109 O TRP A 77 -5.975 2.178 1.413 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.330 1.187 0.521 1.00 0.00 C ATOM 1111 CG TRP A 77 -2.746 2.446 1.165 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.267 3.680 1.185 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.499 2.543 1.885 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.452 4.562 1.864 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.341 3.850 2.302 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.536 1.561 2.174 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.233 4.292 3.033 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.567 2.020 2.905 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.740 3.331 3.333 1.00 0.00 C ATOM 0 H TRP A 77 -5.761 -0.183 0.018 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.720 -0.037 2.185 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.514 0.514 0.257 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.828 1.464 -0.408 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.207 3.950 0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.632 5.554 2.017 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.638 0.534 1.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.134 5.320 3.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.337 1.305 3.154 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.621 3.607 3.894 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.470 1.199 3.388 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.402 2.008 4.155 1.00 0.00 C ATOM 1132 C ASN A 78 -7.834 1.606 3.798 1.00 0.00 C ATOM 1133 O ASN A 78 -8.747 2.429 3.857 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.234 3.495 3.833 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.803 4.280 5.074 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -5.880 3.807 6.197 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.346 5.501 4.811 1.00 0.00 N ATOM 0 H ASN A 78 -4.943 0.520 3.937 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.200 1.843 5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.492 3.618 3.044 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.173 3.897 3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.033 6.103 5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.308 5.835 3.848 1.00 0.00 H new ATOM 1144 N GLY A 79 -7.986 0.341 3.434 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.291 -0.180 3.068 1.00 0.00 C ATOM 1146 C GLY A 79 -9.471 -0.189 1.548 1.00 0.00 C ATOM 1147 O GLY A 79 -9.913 -1.186 0.977 1.00 0.00 O ATOM 0 H GLY A 79 -7.226 -0.338 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.405 -1.192 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.071 0.428 3.527 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.120 0.933 0.937 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.237 1.067 -0.506 1.00 0.00 C ATOM 1153 C ILE A 80 -8.289 0.076 -1.184 1.00 0.00 C ATOM 1154 O ILE A 80 -7.099 0.041 -0.877 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.015 2.520 -0.928 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -9.976 3.457 -0.195 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.114 2.670 -2.448 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.308 4.073 1.037 1.00 0.00 C ATOM 0 H ILE A 80 -8.755 1.757 1.414 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.246 0.816 -0.832 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.004 2.809 -0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.303 4.248 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.867 2.906 0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.952 3.713 -2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.357 2.048 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.103 2.357 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.013 4.735 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.004 3.280 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.431 4.643 0.729 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.866 -0.724 -2.119 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.086 -1.713 -2.844 1.00 0.00 C ATOM 1172 C PRO A 81 -7.209 -1.047 -3.906 1.00 0.00 C ATOM 1173 O PRO A 81 -7.527 0.039 -4.388 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.110 -2.669 -3.433 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.435 -1.925 -3.409 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.273 -0.711 -2.510 1.00 0.00 C ATOM 0 HA PRO A 81 -7.385 -2.248 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.840 -2.953 -4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.167 -3.588 -2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.719 -1.619 -4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.229 -2.572 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.529 0.208 -3.036 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.926 -0.773 -1.640 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.122 -1.726 -4.241 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.196 -1.215 -5.237 1.00 0.00 C ATOM 1186 C LEU A 82 -5.089 -2.215 -6.390 1.00 0.00 C ATOM 1187 O LEU A 82 -4.030 -2.353 -7.000 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.851 -0.873 -4.594 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.894 0.138 -3.445 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.518 0.285 -2.792 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.451 1.482 -3.919 1.00 0.00 C ATOM 0 H LEU A 82 -5.862 -2.627 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.569 -0.281 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.403 -1.795 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.189 -0.485 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.573 -0.241 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.576 1.009 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.198 -0.679 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.798 0.630 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.471 2.182 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.817 1.880 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.463 1.343 -4.300 1.00 0.00 H new ATOM 1203 N THR A 83 -6.201 -2.886 -6.653 1.00 0.00 N ATOM 1204 CA THR A 83 -6.246 -3.869 -7.722 1.00 0.00 C ATOM 1205 C THR A 83 -7.093 -3.353 -8.886 1.00 0.00 C ATOM 1206 O THR A 83 -8.131 -2.728 -8.675 1.00 0.00 O ATOM 1207 CB THR A 83 -6.761 -5.184 -7.133 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.944 -5.393 -5.984 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.456 -6.386 -8.029 1.00 0.00 C ATOM 0 H THR A 83 -7.077 -2.768 -6.144 1.00 0.00 H new ATOM 0 HA THR A 83 -5.254 -4.047 -8.137 1.00 0.00 H new ATOM 0 HB THR A 83 -7.837 -5.113 -6.974 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.211 -6.225 -5.540 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.843 -7.293 -7.565 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.930 -6.245 -9.000 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.378 -6.477 -8.161 1.00 0.00 H new ATOM 1217 N SER A 84 -6.618 -3.634 -10.091 1.00 0.00 N ATOM 1218 CA SER A 84 -7.319 -3.205 -11.290 1.00 0.00 C ATOM 1219 C SER A 84 -7.266 -1.681 -11.411 1.00 0.00 C ATOM 1220 O SER A 84 -8.196 -1.063 -11.926 1.00 0.00 O ATOM 1221 CB SER A 84 -8.772 -3.687 -11.281 1.00 0.00 C ATOM 1222 OG SER A 84 -9.299 -3.818 -12.598 1.00 0.00 O ATOM 0 H SER A 84 -5.757 -4.153 -10.263 1.00 0.00 H new ATOM 0 HA SER A 84 -6.823 -3.649 -12.153 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.832 -4.648 -10.769 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.383 -2.985 -10.714 1.00 0.00 H new ATOM 0 HG SER A 84 -10.227 -4.129 -12.550 1.00 0.00 H new ATOM 1228 N LYS A 85 -6.168 -1.118 -10.926 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.982 0.322 -10.973 1.00 0.00 C ATOM 1230 C LYS A 85 -4.712 0.641 -11.764 1.00 0.00 C ATOM 1231 O LYS A 85 -4.189 -0.213 -12.477 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.991 0.909 -9.560 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.196 0.403 -8.764 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.375 1.371 -8.878 1.00 0.00 C ATOM 1235 CE LYS A 85 -9.269 1.296 -7.639 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.587 0.718 -7.984 1.00 0.00 N ATOM 0 H LYS A 85 -5.399 -1.634 -10.499 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.812 0.798 -11.496 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.070 0.638 -9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.018 1.997 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.491 -0.580 -9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.920 0.283 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.004 2.388 -9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.959 1.134 -9.767 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.788 0.688 -6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.401 2.293 -7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.181 0.675 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.051 1.314 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.457 -0.241 -8.364 1.00 0.00 H new ATOM 1250 N THR A 86 -4.253 1.875 -11.610 1.00 0.00 N ATOM 1251 CA THR A 86 -3.054 2.319 -12.301 1.00 0.00 C ATOM 1252 C THR A 86 -2.106 3.021 -11.328 1.00 0.00 C ATOM 1253 O THR A 86 -2.536 3.525 -10.292 1.00 0.00 O ATOM 1254 CB THR A 86 -3.484 3.202 -13.475 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.223 4.255 -12.864 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.503 2.512 -14.385 1.00 0.00 C ATOM 0 H THR A 86 -4.690 2.581 -11.017 1.00 0.00 H new ATOM 0 HA THR A 86 -2.492 1.474 -12.700 1.00 0.00 H new ATOM 0 HB THR A 86 -2.607 3.482 -14.059 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.402 4.956 -13.525 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.774 3.182 -15.201 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.067 1.600 -14.793 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.394 2.262 -13.809 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.833 3.033 -11.696 1.00 0.00 N ATOM 1265 CA TYR A 87 0.179 3.665 -10.867 1.00 0.00 C ATOM 1266 C TYR A 87 -0.354 4.954 -10.239 1.00 0.00 C ATOM 1267 O TYR A 87 -0.449 5.061 -9.017 1.00 0.00 O ATOM 1268 CB TYR A 87 1.337 4.009 -11.806 1.00 0.00 C ATOM 1269 CG TYR A 87 2.579 4.546 -11.091 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.545 5.786 -10.487 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.732 3.790 -11.051 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.715 6.291 -9.814 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.902 4.295 -10.378 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.835 5.521 -9.793 1.00 0.00 C ATOM 1275 OH TYR A 87 5.939 5.997 -9.157 1.00 0.00 O ATOM 0 H TYR A 87 -0.480 2.615 -12.557 1.00 0.00 H new ATOM 0 HA TYR A 87 0.481 3.002 -10.056 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.612 3.117 -12.369 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.997 4.751 -12.529 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.642 6.378 -10.519 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.758 2.819 -11.524 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.702 7.260 -9.337 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.811 3.713 -10.339 1.00 0.00 H new ATOM 0 HH TYR A 87 6.663 5.339 -9.222 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.685 5.903 -11.104 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.206 7.181 -10.649 1.00 0.00 C ATOM 1287 C GLU A 88 -2.319 6.966 -9.622 1.00 0.00 C ATOM 1288 O GLU A 88 -2.143 7.257 -8.441 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.701 8.021 -11.827 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.655 9.060 -12.239 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.002 10.440 -11.675 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -1.774 11.152 -12.354 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -0.488 10.750 -10.579 1.00 0.00 O ATOM 0 H GLU A 88 -0.602 5.812 -12.117 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.397 7.731 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.926 7.371 -12.673 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.630 8.523 -11.555 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.328 8.754 -11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.597 9.112 -13.326 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.440 6.458 -10.111 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.583 6.201 -9.250 1.00 0.00 C ATOM 1302 C GLU A 89 -4.117 5.658 -7.898 1.00 0.00 C ATOM 1303 O GLU A 89 -4.257 6.326 -6.874 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.567 5.238 -9.918 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.237 5.891 -11.128 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.608 5.267 -11.398 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -7.716 4.035 -11.217 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.516 6.036 -11.781 1.00 0.00 O ATOM 0 H GLU A 89 -3.582 6.217 -11.092 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.105 7.143 -9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.042 4.336 -10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.326 4.931 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.348 6.961 -10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.602 5.776 -12.006 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.571 4.451 -7.937 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.083 3.811 -6.727 1.00 0.00 C ATOM 1317 C VAL A 90 -2.385 4.851 -5.850 1.00 0.00 C ATOM 1318 O VAL A 90 -2.825 5.125 -4.735 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.180 2.629 -7.088 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.531 2.033 -5.837 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.957 1.563 -7.864 1.00 0.00 C ATOM 0 H VAL A 90 -3.456 3.900 -8.787 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.913 3.404 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.384 3.000 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.895 1.195 -6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.928 2.794 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.307 1.684 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.293 0.734 -8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.783 1.198 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.350 1.996 -8.784 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.306 5.403 -6.388 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.542 6.407 -5.668 1.00 0.00 C ATOM 1333 C GLN A 91 -1.482 7.350 -4.915 1.00 0.00 C ATOM 1334 O GLN A 91 -1.439 7.423 -3.687 1.00 0.00 O ATOM 1335 CB GLN A 91 0.370 7.187 -6.618 1.00 0.00 C ATOM 1336 CG GLN A 91 1.818 7.173 -6.123 1.00 0.00 C ATOM 1337 CD GLN A 91 2.541 8.464 -6.506 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.997 9.341 -7.158 1.00 0.00 O ATOM 1339 NE2 GLN A 91 3.795 8.533 -6.068 1.00 0.00 N ATOM 0 H GLN A 91 -0.944 5.174 -7.313 1.00 0.00 H new ATOM 0 HA GLN A 91 0.093 5.900 -4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.319 6.752 -7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.020 8.216 -6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.835 7.050 -5.040 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.343 6.318 -6.549 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.189 7.763 -5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.362 9.356 -6.273 1.00 0.00 H new ATOM 1348 N SER A 92 -2.308 8.047 -5.680 1.00 0.00 N ATOM 1349 CA SER A 92 -3.257 8.982 -5.099 1.00 0.00 C ATOM 1350 C SER A 92 -3.889 8.374 -3.845 1.00 0.00 C ATOM 1351 O SER A 92 -3.857 8.979 -2.774 1.00 0.00 O ATOM 1352 CB SER A 92 -4.341 9.364 -6.109 1.00 0.00 C ATOM 1353 OG SER A 92 -4.509 10.776 -6.203 1.00 0.00 O ATOM 0 H SER A 92 -2.340 7.983 -6.698 1.00 0.00 H new ATOM 0 HA SER A 92 -2.720 9.889 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.081 8.964 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.286 8.905 -5.818 1.00 0.00 H new ATOM 0 HG SER A 92 -5.208 10.979 -6.859 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.451 7.187 -4.020 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.089 6.492 -2.916 1.00 0.00 C ATOM 1361 C ILE A 93 -4.133 6.451 -1.722 1.00 0.00 C ATOM 1362 O ILE A 93 -4.557 6.591 -0.577 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.574 5.111 -3.361 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.885 5.217 -4.144 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.695 4.161 -2.168 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.199 3.906 -4.867 1.00 0.00 C ATOM 0 H ILE A 93 -4.478 6.689 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.980 7.030 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.829 4.688 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.700 5.466 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.816 6.028 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.042 3.187 -2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.722 4.052 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.408 4.567 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.135 4.008 -5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.394 3.673 -5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.292 3.101 -4.138 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.858 6.258 -2.031 1.00 0.00 N ATOM 1379 CA ILE A 94 -1.838 6.198 -0.999 1.00 0.00 C ATOM 1380 C ILE A 94 -1.457 7.619 -0.581 1.00 0.00 C ATOM 1381 O ILE A 94 -1.632 7.998 0.577 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.650 5.356 -1.468 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.080 4.349 -2.536 1.00 0.00 C ATOM 1384 CG2 ILE A 94 0.042 4.676 -0.285 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.195 3.101 -2.501 1.00 0.00 C ATOM 0 H ILE A 94 -2.509 6.141 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.224 5.697 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 94 0.080 6.022 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.120 4.066 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.023 4.812 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.883 4.084 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.404 5.434 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.667 4.025 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.522 2.401 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.841 3.384 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.273 2.627 -1.523 1.00 0.00 H new ATOM 1397 N SER A 95 -0.943 8.368 -1.545 1.00 0.00 N ATOM 1398 CA SER A 95 -0.536 9.740 -1.291 1.00 0.00 C ATOM 1399 C SER A 95 -1.514 10.405 -0.320 1.00 0.00 C ATOM 1400 O SER A 95 -1.098 11.047 0.643 1.00 0.00 O ATOM 1401 CB SER A 95 -0.453 10.540 -2.592 1.00 0.00 C ATOM 1402 OG SER A 95 0.880 10.612 -3.091 1.00 0.00 O ATOM 0 H SER A 95 -0.799 8.051 -2.504 1.00 0.00 H new ATOM 0 HA SER A 95 0.457 9.724 -0.842 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.096 10.080 -3.342 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.831 11.548 -2.422 1.00 0.00 H new ATOM 0 HG SER A 95 0.890 11.129 -3.923 1.00 0.00 H new ATOM 1408 N GLN A 96 -2.795 10.229 -0.609 1.00 0.00 N ATOM 1409 CA GLN A 96 -3.835 10.804 0.227 1.00 0.00 C ATOM 1410 C GLN A 96 -3.856 10.121 1.595 1.00 0.00 C ATOM 1411 O GLN A 96 -4.190 8.942 1.700 1.00 0.00 O ATOM 1412 CB GLN A 96 -5.202 10.707 -0.454 1.00 0.00 C ATOM 1413 CG GLN A 96 -5.472 11.940 -1.319 1.00 0.00 C ATOM 1414 CD GLN A 96 -6.590 11.668 -2.328 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -6.840 10.542 -2.728 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -7.246 12.758 -2.716 1.00 0.00 N ATOM 0 H GLN A 96 -3.136 9.697 -1.410 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.612 11.861 0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.242 9.809 -1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.982 10.610 0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.748 12.781 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.562 12.225 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.985 13.670 -2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.010 12.682 -3.388 1.00 0.00 H new ATOM 1425 N GLN A 97 -3.494 10.891 2.611 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.466 10.374 3.969 1.00 0.00 C ATOM 1427 C GLN A 97 -3.037 11.471 4.946 1.00 0.00 C ATOM 1428 O GLN A 97 -2.256 12.354 4.590 1.00 0.00 O ATOM 1429 CB GLN A 97 -2.545 9.156 4.074 1.00 0.00 C ATOM 1430 CG GLN A 97 -2.466 8.651 5.516 1.00 0.00 C ATOM 1431 CD GLN A 97 -3.861 8.351 6.068 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -4.743 7.875 5.373 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -4.010 8.653 7.355 1.00 0.00 N ATOM 0 H GLN A 97 -3.218 11.869 2.521 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.473 10.051 4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.913 8.360 3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.547 9.418 3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.853 7.750 5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.977 9.398 6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.230 9.049 7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.904 8.488 7.817 1.00 0.00 H new ATOM 1442 N SER A 98 -3.564 11.380 6.158 1.00 0.00 N ATOM 1443 CA SER A 98 -3.246 12.354 7.188 1.00 0.00 C ATOM 1444 C SER A 98 -3.713 11.843 8.552 1.00 0.00 C ATOM 1445 O SER A 98 -4.771 12.241 9.039 1.00 0.00 O ATOM 1446 CB SER A 98 -3.886 13.709 6.881 1.00 0.00 C ATOM 1447 OG SER A 98 -2.929 14.766 6.894 1.00 0.00 O ATOM 0 H SER A 98 -4.210 10.646 6.450 1.00 0.00 H new ATOM 0 HA SER A 98 -2.165 12.490 7.209 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.369 13.669 5.905 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.666 13.916 7.614 1.00 0.00 H new ATOM 0 HG SER A 98 -3.376 15.614 6.692 1.00 0.00 H new ATOM 1453 N GLY A 99 -2.901 10.970 9.131 1.00 0.00 N ATOM 1454 CA GLY A 99 -3.218 10.402 10.430 1.00 0.00 C ATOM 1455 C GLY A 99 -3.032 8.882 10.424 1.00 0.00 C ATOM 1456 O GLY A 99 -3.932 8.141 10.817 1.00 0.00 O ATOM 0 H GLY A 99 -2.025 10.643 8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.578 10.847 11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.247 10.645 10.696 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.859 8.465 9.972 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.544 7.047 9.910 1.00 0.00 C ATOM 1462 C GLU A 100 -2.535 6.323 8.997 1.00 0.00 C ATOM 1463 O GLU A 100 -3.712 6.679 8.944 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.531 6.426 11.307 1.00 0.00 C ATOM 1465 CG GLU A 100 -0.443 7.059 12.178 1.00 0.00 C ATOM 1466 CD GLU A 100 -0.971 8.302 12.897 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -1.759 8.116 13.849 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -0.574 9.411 12.478 1.00 0.00 O ATOM 0 H GLU A 100 -1.116 9.083 9.645 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.544 6.935 9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.504 6.562 11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.361 5.352 11.230 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.090 6.333 12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.413 7.328 11.559 1.00 0.00 H new ATOM 1475 N ALA A 101 -2.024 5.318 8.301 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.850 4.540 7.393 1.00 0.00 C ATOM 1477 C ALA A 101 -2.556 3.052 7.590 1.00 0.00 C ATOM 1478 O ALA A 101 -1.568 2.691 8.228 1.00 0.00 O ATOM 1479 CB ALA A 101 -2.601 4.999 5.954 1.00 0.00 C ATOM 0 H ALA A 101 -1.048 5.024 8.348 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.907 4.698 7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.221 4.415 5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.854 6.055 5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.550 4.854 5.703 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.430 2.229 7.031 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.276 0.788 7.137 1.00 0.00 C ATOM 1487 C GLU A 102 -2.893 0.194 5.780 1.00 0.00 C ATOM 1488 O GLU A 102 -3.465 0.560 4.755 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.550 0.139 7.680 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.294 -0.518 9.038 1.00 0.00 C ATOM 1491 CD GLU A 102 -5.610 -0.811 9.763 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -6.283 0.173 10.137 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -5.912 -2.013 9.925 1.00 0.00 O ATOM 0 H GLU A 102 -4.248 2.533 6.503 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.472 0.579 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.333 0.891 7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.912 -0.608 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.738 -1.445 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.675 0.136 9.651 1.00 0.00 H new ATOM 1500 N ILE A 103 -1.929 -0.714 5.818 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.463 -1.363 4.604 1.00 0.00 C ATOM 1502 C ILE A 103 -1.705 -2.870 4.712 1.00 0.00 C ATOM 1503 O ILE A 103 -1.353 -3.488 5.715 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.006 -0.992 4.323 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.509 -1.703 3.070 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.875 -1.269 5.543 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.819 -1.078 2.585 1.00 0.00 C ATOM 0 H ILE A 103 -1.458 -1.016 6.671 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.029 -1.010 3.742 1.00 0.00 H new ATOM 0 HB ILE A 103 0.042 0.079 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.664 -2.760 3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.240 -1.645 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.906 -0.997 5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.521 -0.679 6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.826 -2.329 5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.164 -1.602 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.655 -0.027 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.573 -1.160 3.368 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.302 -3.418 3.663 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.594 -4.840 3.628 1.00 0.00 C ATOM 1521 C CYS A 104 -1.622 -5.506 2.651 1.00 0.00 C ATOM 1522 O CYS A 104 -1.657 -5.234 1.453 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.053 -5.110 3.253 1.00 0.00 C ATOM 1524 SG CYS A 104 -4.326 -6.907 3.049 1.00 0.00 S ATOM 0 H CYS A 104 -2.591 -2.902 2.832 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.458 -5.266 4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.714 -4.719 4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.302 -4.589 2.328 1.00 0.00 H new ATOM 0 HG CYS A 104 -5.568 -7.124 2.733 1.00 0.00 H new ATOM 1530 N VAL A 105 -0.777 -6.365 3.202 1.00 0.00 N ATOM 1531 CA VAL A 105 0.203 -7.071 2.395 1.00 0.00 C ATOM 1532 C VAL A 105 -0.133 -8.564 2.381 1.00 0.00 C ATOM 1533 O VAL A 105 -0.852 -9.050 3.253 1.00 0.00 O ATOM 1534 CB VAL A 105 1.614 -6.781 2.912 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.963 -5.301 2.751 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.766 -7.226 4.367 1.00 0.00 C ATOM 0 H VAL A 105 -0.751 -6.588 4.197 1.00 0.00 H new ATOM 0 HA VAL A 105 0.171 -6.721 1.363 1.00 0.00 H new ATOM 0 HB VAL A 105 2.317 -7.357 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.971 -5.122 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.914 -5.028 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.253 -4.696 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.778 -7.009 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.049 -6.689 4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.580 -8.297 4.441 1.00 0.00 H new ATOM 1546 N ARG A 106 0.402 -9.250 1.382 1.00 0.00 N ATOM 1547 CA ARG A 106 0.167 -10.677 1.244 1.00 0.00 C ATOM 1548 C ARG A 106 1.450 -11.457 1.540 1.00 0.00 C ATOM 1549 O ARG A 106 2.363 -11.491 0.717 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.318 -11.022 -0.165 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.708 -12.498 -0.265 1.00 0.00 C ATOM 1552 CD ARG A 106 -1.228 -12.834 -1.665 1.00 0.00 C ATOM 1553 NE ARG A 106 -2.616 -12.347 -1.820 1.00 0.00 N ATOM 1554 CZ ARG A 106 -3.396 -12.624 -2.874 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -2.928 -13.385 -3.872 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -4.644 -12.139 -2.929 1.00 0.00 N ATOM 0 H ARG A 106 0.998 -8.844 0.660 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.606 -10.957 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.174 -10.398 -0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.467 -10.800 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.155 -13.122 -0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.474 -12.727 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.587 -12.377 -2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.192 -13.911 -1.826 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.004 -11.764 -1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.978 -13.754 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.522 -13.596 -4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.000 -11.559 -2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.238 -12.349 -3.731 1.00 0.00 H new ATOM 1570 N LEU A 107 1.477 -12.065 2.717 1.00 0.00 N ATOM 1571 CA LEU A 107 2.633 -12.843 3.132 1.00 0.00 C ATOM 1572 C LEU A 107 3.157 -13.645 1.939 1.00 0.00 C ATOM 1573 O LEU A 107 4.215 -13.334 1.394 1.00 0.00 O ATOM 1574 CB LEU A 107 2.290 -13.703 4.349 1.00 0.00 C ATOM 1575 CG LEU A 107 1.544 -12.996 5.483 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.466 -13.884 6.726 1.00 0.00 C ATOM 1577 CD2 LEU A 107 2.174 -11.635 5.788 1.00 0.00 C ATOM 0 H LEU A 107 0.717 -12.035 3.397 1.00 0.00 H new ATOM 0 HA LEU A 107 3.441 -12.185 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.686 -14.546 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.216 -14.114 4.751 1.00 0.00 H new ATOM 0 HG LEU A 107 0.521 -12.811 5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.931 -13.357 7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.938 -14.806 6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.474 -14.123 7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.625 -11.153 6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.213 -11.774 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.133 -11.007 4.898 1.00 0.00 H new ATOM 1589 N ASP A 108 2.391 -14.661 1.568 1.00 0.00 N ATOM 1590 CA ASP A 108 2.765 -15.510 0.449 1.00 0.00 C ATOM 1591 C ASP A 108 2.597 -14.730 -0.856 1.00 0.00 C ATOM 1592 O ASP A 108 2.386 -13.519 -0.836 1.00 0.00 O ATOM 1593 CB ASP A 108 1.873 -16.751 0.378 1.00 0.00 C ATOM 1594 CG ASP A 108 2.578 -18.028 -0.085 1.00 0.00 C ATOM 1595 OD1 ASP A 108 3.484 -18.474 0.650 1.00 0.00 O ATOM 1596 OD2 ASP A 108 2.193 -18.528 -1.164 1.00 0.00 O ATOM 0 H ASP A 108 1.514 -14.915 2.022 1.00 0.00 H new ATOM 0 HA ASP A 108 3.801 -15.818 0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.443 -16.928 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.044 -16.546 -0.299 1.00 0.00 H new ATOM 1601 N LEU A 109 2.696 -15.458 -1.959 1.00 0.00 N ATOM 1602 CA LEU A 109 2.557 -14.849 -3.271 1.00 0.00 C ATOM 1603 C LEU A 109 3.710 -13.870 -3.499 1.00 0.00 C ATOM 1604 O LEU A 109 4.715 -14.221 -4.115 1.00 0.00 O ATOM 1605 CB LEU A 109 1.173 -14.216 -3.424 1.00 0.00 C ATOM 1606 CG LEU A 109 0.956 -13.375 -4.683 1.00 0.00 C ATOM 1607 CD1 LEU A 109 1.133 -11.884 -4.385 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.867 -13.843 -5.820 1.00 0.00 C ATOM 0 H LEU A 109 2.871 -16.463 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 109 2.623 -15.607 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.428 -15.011 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.985 -13.587 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.073 -13.518 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.973 -11.309 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.410 -11.575 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.142 -11.704 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.692 -13.228 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.909 -13.750 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.650 -14.885 -6.055 1.00 0.00 H new ATOM 1620 N ASN A 110 3.527 -12.660 -2.989 1.00 0.00 N ATOM 1621 CA ASN A 110 4.539 -11.627 -3.129 1.00 0.00 C ATOM 1622 C ASN A 110 4.754 -11.328 -4.614 1.00 0.00 C ATOM 1623 O ASN A 110 4.706 -12.232 -5.446 1.00 0.00 O ATOM 1624 CB ASN A 110 5.876 -12.083 -2.541 1.00 0.00 C ATOM 1625 CG ASN A 110 5.672 -12.791 -1.200 1.00 0.00 C ATOM 1626 OD1 ASN A 110 5.418 -13.982 -1.130 1.00 0.00 O ATOM 1627 ND2 ASN A 110 5.795 -11.994 -0.143 1.00 0.00 N ATOM 0 H ASN A 110 2.692 -12.372 -2.478 1.00 0.00 H new ATOM 0 HA ASN A 110 4.193 -10.741 -2.596 1.00 0.00 H new ATOM 0 HB2 ASN A 110 6.374 -12.756 -3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 110 6.531 -11.222 -2.406 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.675 -12.371 0.797 1.00 0.00 H new ATOM 0 HD22 ASN A 110 6.009 -11.005 -0.272 1.00 0.00 H new ATOM 1634 N MET A 111 4.985 -10.056 -4.901 1.00 0.00 N ATOM 1635 CA MET A 111 5.208 -9.625 -6.271 1.00 0.00 C ATOM 1636 C MET A 111 6.702 -9.486 -6.567 1.00 0.00 C ATOM 1637 O MET A 111 7.279 -8.416 -6.381 1.00 0.00 O ATOM 1638 CB MET A 111 4.514 -8.282 -6.504 1.00 0.00 C ATOM 1639 CG MET A 111 3.063 -8.483 -6.943 1.00 0.00 C ATOM 1640 SD MET A 111 2.727 -7.516 -8.405 1.00 0.00 S ATOM 1641 CE MET A 111 1.451 -6.438 -7.777 1.00 0.00 C ATOM 0 H MET A 111 5.023 -9.309 -4.208 1.00 0.00 H new ATOM 0 HA MET A 111 4.793 -10.379 -6.940 1.00 0.00 H new ATOM 0 HB2 MET A 111 4.542 -7.691 -5.589 1.00 0.00 H new ATOM 0 HB3 MET A 111 5.053 -7.717 -7.265 1.00 0.00 H new ATOM 0 HG2 MET A 111 2.878 -9.538 -7.145 1.00 0.00 H new ATOM 0 HG3 MET A 111 2.387 -8.189 -6.140 1.00 0.00 H new ATOM 0 HE1 MET A 111 0.646 -6.363 -8.508 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.058 -6.844 -6.845 1.00 0.00 H new ATOM 0 HE3 MET A 111 1.869 -5.448 -7.594 1.00 0.00 H new