USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 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 1 MET CE :methyl 162:sc= -1.15 (180deg=-1.57) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.868 K(o=-0.87,f=-2.5!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.579 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0422) USER MOD Single : A 30 SER OG : rot 48:sc= 1.28 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 33:sc= 0.5 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 62 THR OG1 : rot -159:sc= -6.58! USER MOD Single : A 66 ASN : amide:sc= -4.81! C(o=-4.8!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.186 9.362 0.447 1.00 0.00 N ATOM 2 CA MET A 1 11.781 9.833 0.273 1.00 0.00 C ATOM 3 C MET A 1 11.208 9.313 -1.048 1.00 0.00 C ATOM 4 O MET A 1 11.021 10.057 -1.990 1.00 0.00 O ATOM 5 CB MET A 1 11.874 11.360 0.252 1.00 0.00 C ATOM 6 CG MET A 1 10.507 11.950 -0.098 1.00 0.00 C ATOM 7 SD MET A 1 10.181 13.385 0.957 1.00 0.00 S ATOM 8 CE MET A 1 8.375 13.281 0.927 1.00 0.00 C ATOM 0 H1 MET A 1 13.564 9.721 1.347 1.00 0.00 H new ATOM 0 H2 MET A 1 13.205 8.322 0.454 1.00 0.00 H new ATOM 0 H3 MET A 1 13.770 9.714 -0.339 1.00 0.00 H new ATOM 0 HA MET A 1 11.125 9.475 1.067 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.203 11.728 1.224 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.618 11.680 -0.478 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.484 12.244 -1.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.729 11.199 0.040 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.963 13.861 1.753 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.003 13.680 -0.017 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.069 12.240 1.026 1.00 0.00 H new ATOM 20 N LYS A 2 10.929 8.040 -1.125 1.00 0.00 N ATOM 21 CA LYS A 2 10.369 7.475 -2.389 1.00 0.00 C ATOM 22 C LYS A 2 9.247 6.482 -2.074 1.00 0.00 C ATOM 23 O LYS A 2 8.776 6.399 -0.960 1.00 0.00 O ATOM 24 CB LYS A 2 11.546 6.760 -3.056 1.00 0.00 C ATOM 25 CG LYS A 2 12.558 7.794 -3.551 1.00 0.00 C ATOM 26 CD LYS A 2 13.943 7.150 -3.640 1.00 0.00 C ATOM 27 CE LYS A 2 14.946 8.170 -4.184 1.00 0.00 C ATOM 28 NZ LYS A 2 16.223 7.416 -4.324 1.00 0.00 N ATOM 0 H LYS A 2 11.064 7.367 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 2 9.940 8.244 -3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.021 6.081 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.192 6.154 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.258 8.173 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.585 8.647 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.258 6.803 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.908 6.276 -4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.619 8.574 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.059 9.015 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.961 8.049 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.513 7.050 -3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.087 6.622 -4.982 1.00 0.00 H new ATOM 42 N CYS A 3 8.817 5.723 -3.043 1.00 0.00 N ATOM 43 CA CYS A 3 7.729 4.733 -2.785 1.00 0.00 C ATOM 44 C CYS A 3 7.883 3.529 -3.719 1.00 0.00 C ATOM 45 O CYS A 3 7.746 3.640 -4.920 1.00 0.00 O ATOM 46 CB CYS A 3 6.425 5.480 -3.070 1.00 0.00 C ATOM 47 SG CYS A 3 5.942 6.435 -1.606 1.00 0.00 S ATOM 0 H CYS A 3 9.169 5.743 -4.000 1.00 0.00 H new ATOM 0 HA CYS A 3 7.754 4.349 -1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.553 6.144 -3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.638 4.773 -3.332 1.00 0.00 H new ATOM 52 N LYS A 4 8.179 2.382 -3.172 1.00 0.00 N ATOM 53 CA LYS A 4 8.356 1.168 -4.020 1.00 0.00 C ATOM 54 C LYS A 4 7.019 0.449 -4.227 1.00 0.00 C ATOM 55 O LYS A 4 6.281 0.208 -3.293 1.00 0.00 O ATOM 56 CB LYS A 4 9.322 0.279 -3.237 1.00 0.00 C ATOM 57 CG LYS A 4 8.691 -0.104 -1.898 1.00 0.00 C ATOM 58 CD LYS A 4 9.740 0.003 -0.789 1.00 0.00 C ATOM 59 CE LYS A 4 10.787 -1.099 -0.968 1.00 0.00 C ATOM 60 NZ LYS A 4 12.091 -0.382 -1.037 1.00 0.00 N ATOM 0 H LYS A 4 8.306 2.232 -2.171 1.00 0.00 H new ATOM 0 HA LYS A 4 8.733 1.416 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.554 -0.618 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.263 0.804 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.848 0.552 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.300 -1.120 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.218 0.982 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.263 -0.089 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.767 -1.802 -0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.604 -1.674 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.860 -1.071 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.083 0.275 -1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.241 0.151 -0.157 1.00 0.00 H new ATOM 74 N ILE A 5 6.710 0.095 -5.446 1.00 0.00 N ATOM 75 CA ILE A 5 5.430 -0.619 -5.717 1.00 0.00 C ATOM 76 C ILE A 5 5.709 -2.100 -5.993 1.00 0.00 C ATOM 77 O ILE A 5 6.296 -2.452 -6.997 1.00 0.00 O ATOM 78 CB ILE A 5 4.849 0.058 -6.958 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.557 1.528 -6.645 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.553 -0.644 -7.368 1.00 0.00 C ATOM 81 CD1 ILE A 5 4.517 2.329 -7.946 1.00 0.00 C ATOM 0 H ILE A 5 7.290 0.270 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 5 4.742 -0.572 -4.873 1.00 0.00 H new ATOM 0 HB ILE A 5 5.567 -0.006 -7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.605 1.617 -6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.324 1.929 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.141 -0.159 -8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.761 -1.690 -7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.832 -0.583 -6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.309 3.375 -7.723 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.479 2.250 -8.452 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.734 1.933 -8.593 1.00 0.00 H new ATOM 93 N CYS A 6 5.299 -2.967 -5.109 1.00 0.00 N ATOM 94 CA CYS A 6 5.549 -4.421 -5.320 1.00 0.00 C ATOM 95 C CYS A 6 4.298 -5.233 -4.970 1.00 0.00 C ATOM 96 O CYS A 6 3.209 -4.706 -4.873 1.00 0.00 O ATOM 97 CB CYS A 6 6.690 -4.766 -4.364 1.00 0.00 C ATOM 98 SG CYS A 6 8.275 -4.561 -5.213 1.00 0.00 S ATOM 0 H CYS A 6 4.802 -2.732 -4.250 1.00 0.00 H new ATOM 0 HA CYS A 6 5.796 -4.650 -6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.650 -4.121 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.585 -5.792 -4.011 1.00 0.00 H new ATOM 103 N ASN A 7 4.452 -6.516 -4.777 1.00 0.00 N ATOM 104 CA ASN A 7 3.277 -7.366 -4.430 1.00 0.00 C ATOM 105 C ASN A 7 3.271 -7.660 -2.927 1.00 0.00 C ATOM 106 O ASN A 7 4.125 -7.205 -2.193 1.00 0.00 O ATOM 107 CB ASN A 7 3.473 -8.654 -5.231 1.00 0.00 C ATOM 108 CG ASN A 7 2.171 -9.458 -5.235 1.00 0.00 C ATOM 109 OD1 ASN A 7 1.983 -10.335 -4.415 1.00 0.00 O ATOM 110 ND2 ASN A 7 1.259 -9.196 -6.132 1.00 0.00 N ATOM 0 H ASN A 7 5.341 -7.012 -4.845 1.00 0.00 H new ATOM 0 HA ASN A 7 2.328 -6.883 -4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.769 -8.417 -6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.277 -9.247 -4.795 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.388 -9.727 -6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.417 -8.460 -6.820 1.00 0.00 H new ATOM 117 N PHE A 8 2.314 -8.416 -2.462 1.00 0.00 N ATOM 118 CA PHE A 8 2.257 -8.732 -1.005 1.00 0.00 C ATOM 119 C PHE A 8 3.544 -9.432 -0.558 1.00 0.00 C ATOM 120 O PHE A 8 3.715 -10.619 -0.755 1.00 0.00 O ATOM 121 CB PHE A 8 1.057 -9.667 -0.848 1.00 0.00 C ATOM 122 CG PHE A 8 1.073 -10.276 0.534 1.00 0.00 C ATOM 123 CD1 PHE A 8 0.831 -9.473 1.655 1.00 0.00 C ATOM 124 CD2 PHE A 8 1.331 -11.642 0.694 1.00 0.00 C ATOM 125 CE1 PHE A 8 0.846 -10.037 2.936 1.00 0.00 C ATOM 126 CE2 PHE A 8 1.347 -12.207 1.975 1.00 0.00 C ATOM 127 CZ PHE A 8 1.105 -11.403 3.096 1.00 0.00 C ATOM 0 H PHE A 8 1.571 -8.828 -3.026 1.00 0.00 H new ATOM 0 HA PHE A 8 2.159 -7.834 -0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.130 -9.116 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.092 -10.452 -1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.633 -8.419 1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.518 -12.261 -0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.658 -9.418 3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.546 -13.261 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.118 -11.838 4.085 1.00 0.00 H new ATOM 137 N ASP A 9 4.447 -8.701 0.043 1.00 0.00 N ATOM 138 CA ASP A 9 5.737 -9.301 0.522 1.00 0.00 C ATOM 139 C ASP A 9 6.699 -9.564 -0.647 1.00 0.00 C ATOM 140 O ASP A 9 7.886 -9.331 -0.540 1.00 0.00 O ATOM 141 CB ASP A 9 5.351 -10.617 1.202 1.00 0.00 C ATOM 142 CG ASP A 9 6.344 -10.922 2.324 1.00 0.00 C ATOM 143 OD1 ASP A 9 6.363 -10.179 3.291 1.00 0.00 O ATOM 144 OD2 ASP A 9 7.070 -11.894 2.197 1.00 0.00 O ATOM 0 H ASP A 9 4.348 -7.702 0.226 1.00 0.00 H new ATOM 0 HA ASP A 9 6.256 -8.626 1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.341 -10.548 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.349 -11.428 0.474 1.00 0.00 H new ATOM 149 N THR A 10 6.208 -10.048 -1.756 1.00 0.00 N ATOM 150 CA THR A 10 7.111 -10.320 -2.911 1.00 0.00 C ATOM 151 C THR A 10 7.236 -9.075 -3.792 1.00 0.00 C ATOM 152 O THR A 10 6.327 -8.275 -3.887 1.00 0.00 O ATOM 153 CB THR A 10 6.435 -11.454 -3.681 1.00 0.00 C ATOM 154 OG1 THR A 10 5.048 -11.174 -3.813 1.00 0.00 O ATOM 155 CG2 THR A 10 6.624 -12.770 -2.926 1.00 0.00 C ATOM 0 H THR A 10 5.224 -10.266 -1.912 1.00 0.00 H new ATOM 0 HA THR A 10 8.119 -10.585 -2.593 1.00 0.00 H new ATOM 0 HB THR A 10 6.884 -11.540 -4.671 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.613 -11.900 -4.308 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.141 -13.578 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.688 -12.983 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.177 -12.688 -1.935 1.00 0.00 H new ATOM 163 N CYS A 11 8.357 -8.907 -4.440 1.00 0.00 N ATOM 164 CA CYS A 11 8.541 -7.716 -5.318 1.00 0.00 C ATOM 165 C CYS A 11 8.594 -8.152 -6.786 1.00 0.00 C ATOM 166 O CYS A 11 9.580 -7.953 -7.467 1.00 0.00 O ATOM 167 CB CYS A 11 9.878 -7.111 -4.890 1.00 0.00 C ATOM 168 SG CYS A 11 9.591 -5.542 -4.034 1.00 0.00 S ATOM 0 H CYS A 11 9.153 -9.543 -4.399 1.00 0.00 H new ATOM 0 HA CYS A 11 7.724 -7.001 -5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.408 -7.802 -4.235 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.511 -6.950 -5.762 1.00 0.00 H new ATOM 173 N ARG A 12 7.541 -8.749 -7.275 1.00 0.00 N ATOM 174 CA ARG A 12 7.533 -9.201 -8.697 1.00 0.00 C ATOM 175 C ARG A 12 7.462 -7.997 -9.639 1.00 0.00 C ATOM 176 O ARG A 12 7.720 -8.106 -10.821 1.00 0.00 O ATOM 177 CB ARG A 12 6.277 -10.063 -8.831 1.00 0.00 C ATOM 178 CG ARG A 12 6.449 -11.345 -8.014 1.00 0.00 C ATOM 179 CD ARG A 12 5.436 -12.391 -8.487 1.00 0.00 C ATOM 180 NE ARG A 12 4.576 -12.656 -7.301 1.00 0.00 N ATOM 181 CZ ARG A 12 3.674 -13.599 -7.347 1.00 0.00 C ATOM 182 NH1 ARG A 12 2.738 -13.563 -8.254 1.00 0.00 N ATOM 183 NH2 ARG A 12 3.711 -14.579 -6.485 1.00 0.00 N ATOM 0 H ARG A 12 6.687 -8.943 -6.753 1.00 0.00 H new ATOM 0 HA ARG A 12 8.436 -9.752 -8.959 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.405 -9.511 -8.481 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.101 -10.307 -9.879 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.463 -11.728 -8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.304 -11.136 -6.954 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.848 -12.020 -9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.935 -13.300 -8.824 1.00 0.00 H new ATOM 0 HE ARG A 12 4.691 -12.101 -6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.710 -12.798 -8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.034 -14.300 -8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.444 -14.608 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.007 -15.316 -6.520 1.00 0.00 H new ATOM 197 N ALA A 13 7.115 -6.852 -9.125 1.00 0.00 N ATOM 198 CA ALA A 13 7.029 -5.641 -9.992 1.00 0.00 C ATOM 199 C ALA A 13 8.287 -4.784 -9.825 1.00 0.00 C ATOM 200 O ALA A 13 9.070 -4.630 -10.741 1.00 0.00 O ATOM 201 CB ALA A 13 5.794 -4.886 -9.499 1.00 0.00 C ATOM 0 H ALA A 13 6.887 -6.700 -8.143 1.00 0.00 H new ATOM 0 HA ALA A 13 6.954 -5.893 -11.050 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.662 -3.979 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.914 -5.520 -9.606 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.925 -4.620 -8.450 1.00 0.00 H new ATOM 207 N GLY A 14 8.486 -4.228 -8.662 1.00 0.00 N ATOM 208 CA GLY A 14 9.693 -3.384 -8.438 1.00 0.00 C ATOM 209 C GLY A 14 9.474 -2.003 -9.059 1.00 0.00 C ATOM 210 O GLY A 14 10.376 -1.417 -9.626 1.00 0.00 O ATOM 0 H GLY A 14 7.866 -4.321 -7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.889 -3.287 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.569 -3.859 -8.881 1.00 0.00 H new ATOM 214 N GLU A 15 8.285 -1.475 -8.953 1.00 0.00 N ATOM 215 CA GLU A 15 8.014 -0.129 -9.537 1.00 0.00 C ATOM 216 C GLU A 15 8.119 0.945 -8.451 1.00 0.00 C ATOM 217 O GLU A 15 7.133 1.361 -7.878 1.00 0.00 O ATOM 218 CB GLU A 15 6.584 -0.210 -10.074 1.00 0.00 C ATOM 219 CG GLU A 15 6.618 -0.493 -11.577 1.00 0.00 C ATOM 220 CD GLU A 15 6.500 -1.999 -11.816 1.00 0.00 C ATOM 221 OE1 GLU A 15 5.405 -2.517 -11.679 1.00 0.00 O ATOM 222 OE2 GLU A 15 7.508 -2.609 -12.134 1.00 0.00 O ATOM 0 H GLU A 15 7.491 -1.916 -8.489 1.00 0.00 H new ATOM 0 HA GLU A 15 8.727 0.135 -10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.034 -0.997 -9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.058 0.725 -9.881 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.801 0.030 -12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.546 -0.117 -12.008 1.00 0.00 H new ATOM 229 N LEU A 16 9.308 1.397 -8.160 1.00 0.00 N ATOM 230 CA LEU A 16 9.465 2.439 -7.107 1.00 0.00 C ATOM 231 C LEU A 16 9.687 3.813 -7.741 1.00 0.00 C ATOM 232 O LEU A 16 10.358 3.948 -8.745 1.00 0.00 O ATOM 233 CB LEU A 16 10.694 2.014 -6.303 1.00 0.00 C ATOM 234 CG LEU A 16 11.100 3.142 -5.355 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.701 2.547 -4.079 1.00 0.00 C ATOM 236 CD2 LEU A 16 12.141 4.032 -6.040 1.00 0.00 C ATOM 0 H LEU A 16 10.174 1.091 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 16 8.577 2.522 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.475 1.109 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.518 1.777 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 16 10.222 3.736 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.990 3.352 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.962 1.911 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.579 1.953 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.432 4.837 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.018 3.437 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.715 4.456 -6.949 1.00 0.00 H new ATOM 248 N LYS A 17 9.132 4.835 -7.151 1.00 0.00 N ATOM 249 CA LYS A 17 9.305 6.202 -7.699 1.00 0.00 C ATOM 250 C LYS A 17 9.273 7.213 -6.554 1.00 0.00 C ATOM 251 O LYS A 17 9.819 6.979 -5.492 1.00 0.00 O ATOM 252 CB LYS A 17 8.116 6.409 -8.639 1.00 0.00 C ATOM 253 CG LYS A 17 8.558 7.240 -9.846 1.00 0.00 C ATOM 254 CD LYS A 17 7.415 7.316 -10.860 1.00 0.00 C ATOM 255 CE LYS A 17 7.835 8.201 -12.037 1.00 0.00 C ATOM 256 NZ LYS A 17 7.519 7.400 -13.253 1.00 0.00 N ATOM 0 H LYS A 17 8.563 4.778 -6.307 1.00 0.00 H new ATOM 0 HA LYS A 17 10.253 6.331 -8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.728 5.445 -8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.306 6.915 -8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.842 8.243 -9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.438 6.791 -10.307 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.162 6.317 -11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.521 7.722 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.291 9.146 -12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.896 8.444 -11.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.779 7.941 -14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.056 6.510 -13.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.501 7.190 -13.275 1.00 0.00 H new ATOM 270 N VAL A 18 8.643 8.334 -6.756 1.00 0.00 N ATOM 271 CA VAL A 18 8.584 9.355 -5.678 1.00 0.00 C ATOM 272 C VAL A 18 7.130 9.634 -5.287 1.00 0.00 C ATOM 273 O VAL A 18 6.214 9.005 -5.778 1.00 0.00 O ATOM 274 CB VAL A 18 9.224 10.587 -6.301 1.00 0.00 C ATOM 275 CG1 VAL A 18 10.684 10.280 -6.639 1.00 0.00 C ATOM 276 CG2 VAL A 18 8.469 10.949 -7.582 1.00 0.00 C ATOM 0 H VAL A 18 8.166 8.587 -7.622 1.00 0.00 H new ATOM 0 HA VAL A 18 9.091 9.039 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 18 9.180 11.422 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.147 11.160 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.219 10.011 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.727 9.450 -7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.922 11.831 -8.034 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.520 10.115 -8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.426 11.159 -7.343 1.00 0.00 H new ATOM 286 N CYS A 19 6.914 10.572 -4.406 1.00 0.00 N ATOM 287 CA CYS A 19 5.521 10.890 -3.982 1.00 0.00 C ATOM 288 C CYS A 19 5.537 11.940 -2.868 1.00 0.00 C ATOM 289 O CYS A 19 6.520 12.622 -2.657 1.00 0.00 O ATOM 290 CB CYS A 19 4.952 9.568 -3.465 1.00 0.00 C ATOM 291 SG CYS A 19 3.712 8.947 -4.628 1.00 0.00 S ATOM 0 H CYS A 19 7.642 11.132 -3.962 1.00 0.00 H new ATOM 0 HA CYS A 19 4.923 11.299 -4.797 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.752 8.837 -3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.504 9.713 -2.482 1.00 0.00 H new ATOM 296 N ALA A 20 4.454 12.074 -2.150 1.00 0.00 N ATOM 297 CA ALA A 20 4.408 13.078 -1.048 1.00 0.00 C ATOM 298 C ALA A 20 4.931 14.432 -1.539 1.00 0.00 C ATOM 299 O ALA A 20 5.526 15.183 -0.794 1.00 0.00 O ATOM 300 CB ALA A 20 5.323 12.513 0.039 1.00 0.00 C ATOM 0 H ALA A 20 3.600 11.532 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 20 3.394 13.244 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.344 13.196 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.947 11.542 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.331 12.397 -0.358 1.00 0.00 H new ATOM 306 N SER A 21 4.713 14.747 -2.788 1.00 0.00 N ATOM 307 CA SER A 21 5.199 16.054 -3.321 1.00 0.00 C ATOM 308 C SER A 21 4.926 17.171 -2.310 1.00 0.00 C ATOM 309 O SER A 21 5.622 18.166 -2.267 1.00 0.00 O ATOM 310 CB SER A 21 4.395 16.282 -4.600 1.00 0.00 C ATOM 311 OG SER A 21 3.216 17.013 -4.290 1.00 0.00 O ATOM 0 H SER A 21 4.221 14.158 -3.461 1.00 0.00 H new ATOM 0 HA SER A 21 6.273 16.051 -3.509 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.995 16.829 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.135 15.326 -5.055 1.00 0.00 H new ATOM 0 HG SER A 21 2.699 17.162 -5.109 1.00 0.00 H new ATOM 317 N GLY A 22 3.920 17.013 -1.495 1.00 0.00 N ATOM 318 CA GLY A 22 3.604 18.063 -0.486 1.00 0.00 C ATOM 319 C GLY A 22 2.749 17.458 0.628 1.00 0.00 C ATOM 320 O GLY A 22 3.254 17.024 1.645 1.00 0.00 O ATOM 0 H GLY A 22 3.302 16.201 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.525 18.472 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.073 18.889 -0.959 1.00 0.00 H new ATOM 324 N GLU A 23 1.458 17.423 0.446 1.00 0.00 N ATOM 325 CA GLU A 23 0.570 16.845 1.495 1.00 0.00 C ATOM 326 C GLU A 23 0.130 15.434 1.092 1.00 0.00 C ATOM 327 O GLU A 23 -0.789 14.874 1.658 1.00 0.00 O ATOM 328 CB GLU A 23 -0.634 17.784 1.556 1.00 0.00 C ATOM 329 CG GLU A 23 -0.150 19.221 1.770 1.00 0.00 C ATOM 330 CD GLU A 23 -0.136 19.537 3.267 1.00 0.00 C ATOM 331 OE1 GLU A 23 -0.173 18.603 4.051 1.00 0.00 O ATOM 332 OE2 GLU A 23 -0.088 20.708 3.604 1.00 0.00 O ATOM 0 H GLU A 23 0.978 17.770 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 23 1.069 16.761 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.209 17.716 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.299 17.488 2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.849 19.346 1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.804 19.918 1.246 1.00 0.00 H new ATOM 339 N LYS A 24 0.779 14.857 0.118 1.00 0.00 N ATOM 340 CA LYS A 24 0.399 13.484 -0.323 1.00 0.00 C ATOM 341 C LYS A 24 1.077 12.435 0.565 1.00 0.00 C ATOM 342 O LYS A 24 2.211 12.591 0.970 1.00 0.00 O ATOM 343 CB LYS A 24 0.903 13.381 -1.763 1.00 0.00 C ATOM 344 CG LYS A 24 0.616 11.980 -2.307 1.00 0.00 C ATOM 345 CD LYS A 24 0.259 12.073 -3.792 1.00 0.00 C ATOM 346 CE LYS A 24 1.535 12.258 -4.615 1.00 0.00 C ATOM 347 NZ LYS A 24 1.398 13.604 -5.237 1.00 0.00 N ATOM 0 H LYS A 24 1.556 15.277 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.674 13.308 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.414 14.131 -2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.973 13.585 -1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.488 11.340 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.204 11.524 -1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.262 11.170 -4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.420 12.909 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.423 12.202 -3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.633 11.481 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.236 13.805 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.548 13.625 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.314 14.324 -4.491 1.00 0.00 H new ATOM 361 N TYR A 25 0.387 11.372 0.872 1.00 0.00 N ATOM 362 CA TYR A 25 0.989 10.315 1.738 1.00 0.00 C ATOM 363 C TYR A 25 1.024 8.976 0.996 1.00 0.00 C ATOM 364 O TYR A 25 0.100 8.624 0.291 1.00 0.00 O ATOM 365 CB TYR A 25 0.060 10.225 2.948 1.00 0.00 C ATOM 366 CG TYR A 25 0.871 10.303 4.218 1.00 0.00 C ATOM 367 CD1 TYR A 25 1.805 11.331 4.390 1.00 0.00 C ATOM 368 CD2 TYR A 25 0.686 9.348 5.226 1.00 0.00 C ATOM 369 CE1 TYR A 25 2.555 11.405 5.570 1.00 0.00 C ATOM 370 CE2 TYR A 25 1.437 9.423 6.405 1.00 0.00 C ATOM 371 CZ TYR A 25 2.371 10.450 6.577 1.00 0.00 C ATOM 372 OH TYR A 25 3.109 10.523 7.741 1.00 0.00 O ATOM 0 H TYR A 25 -0.567 11.188 0.562 1.00 0.00 H new ATOM 0 HA TYR A 25 2.015 10.549 2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.669 11.035 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.501 9.291 2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.947 12.067 3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.035 8.555 5.094 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.275 12.199 5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.295 8.687 7.183 1.00 0.00 H new ATOM 0 HH TYR A 25 2.857 9.785 8.335 1.00 0.00 H new ATOM 382 N CYS A 26 2.076 8.219 1.159 1.00 0.00 N ATOM 383 CA CYS A 26 2.153 6.899 0.470 1.00 0.00 C ATOM 384 C CYS A 26 1.420 5.847 1.309 1.00 0.00 C ATOM 385 O CYS A 26 1.839 5.509 2.399 1.00 0.00 O ATOM 386 CB CYS A 26 3.646 6.577 0.374 1.00 0.00 C ATOM 387 SG CYS A 26 4.018 5.911 -1.270 1.00 0.00 S ATOM 0 H CYS A 26 2.882 8.457 1.737 1.00 0.00 H new ATOM 0 HA CYS A 26 1.689 6.911 -0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.235 7.476 0.555 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.923 5.854 1.142 1.00 0.00 H new ATOM 392 N PHE A 27 0.322 5.340 0.819 1.00 0.00 N ATOM 393 CA PHE A 27 -0.438 4.324 1.603 1.00 0.00 C ATOM 394 C PHE A 27 -0.393 2.960 0.910 1.00 0.00 C ATOM 395 O PHE A 27 -0.098 2.854 -0.264 1.00 0.00 O ATOM 396 CB PHE A 27 -1.873 4.855 1.652 1.00 0.00 C ATOM 397 CG PHE A 27 -2.537 4.654 0.311 1.00 0.00 C ATOM 398 CD1 PHE A 27 -2.409 5.627 -0.688 1.00 0.00 C ATOM 399 CD2 PHE A 27 -3.283 3.495 0.065 1.00 0.00 C ATOM 400 CE1 PHE A 27 -3.024 5.440 -1.932 1.00 0.00 C ATOM 401 CE2 PHE A 27 -3.900 3.308 -1.179 1.00 0.00 C ATOM 402 CZ PHE A 27 -3.770 4.280 -2.177 1.00 0.00 C ATOM 0 H PHE A 27 -0.081 5.583 -0.086 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.019 4.180 2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.436 4.337 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.870 5.913 1.912 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.835 6.522 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.383 2.744 0.835 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.923 6.190 -2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.476 2.414 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.245 4.136 -3.136 1.00 0.00 H new ATOM 412 N LYS A 28 -0.690 1.916 1.634 1.00 0.00 N ATOM 413 CA LYS A 28 -0.675 0.554 1.030 1.00 0.00 C ATOM 414 C LYS A 28 -1.907 -0.229 1.489 1.00 0.00 C ATOM 415 O LYS A 28 -2.062 -0.532 2.657 1.00 0.00 O ATOM 416 CB LYS A 28 0.605 -0.101 1.554 1.00 0.00 C ATOM 417 CG LYS A 28 0.741 0.167 3.054 1.00 0.00 C ATOM 418 CD LYS A 28 2.083 -0.376 3.550 1.00 0.00 C ATOM 419 CE LYS A 28 2.711 0.621 4.526 1.00 0.00 C ATOM 420 NZ LYS A 28 3.316 1.674 3.665 1.00 0.00 N ATOM 0 H LYS A 28 -0.943 1.948 2.622 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.697 0.581 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.579 -1.175 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.471 0.294 1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.675 1.237 3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.078 -0.308 3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.938 -1.339 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.752 -0.545 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.962 1.042 5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.464 0.141 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.348 1.675 3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.089 1.480 2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.934 2.603 3.933 1.00 0.00 H new ATOM 434 N GLU A 29 -2.788 -0.556 0.583 1.00 0.00 N ATOM 435 CA GLU A 29 -4.009 -1.316 0.975 1.00 0.00 C ATOM 436 C GLU A 29 -3.841 -2.799 0.636 1.00 0.00 C ATOM 437 O GLU A 29 -2.855 -3.203 0.053 1.00 0.00 O ATOM 438 CB GLU A 29 -5.141 -0.703 0.151 1.00 0.00 C ATOM 439 CG GLU A 29 -5.673 0.543 0.864 1.00 0.00 C ATOM 440 CD GLU A 29 -7.202 0.550 0.810 1.00 0.00 C ATOM 441 OE1 GLU A 29 -7.739 1.086 -0.146 1.00 0.00 O ATOM 442 OE2 GLU A 29 -7.809 0.020 1.725 1.00 0.00 O ATOM 0 H GLU A 29 -2.715 -0.330 -0.409 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.206 -1.255 2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.780 -0.440 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.943 -1.429 0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.335 0.554 1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.278 1.442 0.391 1.00 0.00 H new ATOM 449 N SER A 30 -4.793 -3.612 1.001 1.00 0.00 N ATOM 450 CA SER A 30 -4.684 -5.068 0.699 1.00 0.00 C ATOM 451 C SER A 30 -6.070 -5.713 0.684 1.00 0.00 C ATOM 452 O SER A 30 -6.986 -5.259 1.340 1.00 0.00 O ATOM 453 CB SER A 30 -3.837 -5.642 1.833 1.00 0.00 C ATOM 454 OG SER A 30 -3.906 -7.062 1.797 1.00 0.00 O ATOM 0 H SER A 30 -5.641 -3.332 1.495 1.00 0.00 H new ATOM 0 HA SER A 30 -4.240 -5.255 -0.279 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.803 -5.314 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.196 -5.273 2.794 1.00 0.00 H new ATOM 0 HG SER A 30 -3.746 -7.374 0.882 1.00 0.00 H new ATOM 460 N TRP A 31 -6.228 -6.773 -0.059 1.00 0.00 N ATOM 461 CA TRP A 31 -7.553 -7.452 -0.117 1.00 0.00 C ATOM 462 C TRP A 31 -7.463 -8.838 0.525 1.00 0.00 C ATOM 463 O TRP A 31 -6.741 -9.700 0.066 1.00 0.00 O ATOM 464 CB TRP A 31 -7.872 -7.571 -1.607 1.00 0.00 C ATOM 465 CG TRP A 31 -8.148 -6.213 -2.167 1.00 0.00 C ATOM 466 CD1 TRP A 31 -7.555 -5.688 -3.264 1.00 0.00 C ATOM 467 CD2 TRP A 31 -9.076 -5.199 -1.680 1.00 0.00 C ATOM 468 NE1 TRP A 31 -8.058 -4.419 -3.481 1.00 0.00 N ATOM 469 CE2 TRP A 31 -8.999 -4.072 -2.531 1.00 0.00 C ATOM 470 CE3 TRP A 31 -9.967 -5.149 -0.592 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -9.777 -2.935 -2.312 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -10.753 -4.007 -0.369 1.00 0.00 C ATOM 473 CH2 TRP A 31 -10.658 -2.902 -1.228 1.00 0.00 C ATOM 0 H TRP A 31 -5.497 -7.199 -0.629 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.324 -6.901 0.422 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.035 -8.030 -2.133 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.736 -8.219 -1.754 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.810 -6.180 -3.871 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.770 -3.813 -4.249 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -10.047 -5.994 0.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -9.699 -2.086 -2.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -11.434 -3.979 0.468 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -11.265 -2.027 -1.052 1.00 0.00 H new ATOM 484 N ARG A 32 -8.189 -9.057 1.586 1.00 0.00 N ATOM 485 CA ARG A 32 -8.144 -10.387 2.258 1.00 0.00 C ATOM 486 C ARG A 32 -9.369 -11.219 1.872 1.00 0.00 C ATOM 487 O ARG A 32 -10.487 -10.894 2.222 1.00 0.00 O ATOM 488 CB ARG A 32 -8.156 -10.074 3.755 1.00 0.00 C ATOM 489 CG ARG A 32 -7.081 -10.904 4.457 1.00 0.00 C ATOM 490 CD ARG A 32 -7.596 -12.329 4.673 1.00 0.00 C ATOM 491 NE ARG A 32 -6.779 -12.868 5.795 1.00 0.00 N ATOM 492 CZ ARG A 32 -6.944 -14.102 6.187 1.00 0.00 C ATOM 493 NH1 ARG A 32 -8.028 -14.751 5.864 1.00 0.00 N ATOM 494 NH2 ARG A 32 -6.022 -14.686 6.903 1.00 0.00 N ATOM 0 H ARG A 32 -8.811 -8.373 2.017 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.267 -10.966 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.974 -9.012 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.136 -10.297 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.171 -10.922 3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.823 -10.450 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.657 -12.332 4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.477 -12.932 3.773 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.091 -12.273 6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.748 -14.294 5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.156 -15.715 6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.174 -14.178 7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.149 -15.650 7.210 1.00 0.00 H new ATOM 508 N GLU A 33 -9.168 -12.291 1.156 1.00 0.00 N ATOM 509 CA GLU A 33 -10.322 -13.144 0.750 1.00 0.00 C ATOM 510 C GLU A 33 -10.086 -14.591 1.188 1.00 0.00 C ATOM 511 O GLU A 33 -9.271 -14.864 2.047 1.00 0.00 O ATOM 512 CB GLU A 33 -10.372 -13.046 -0.775 1.00 0.00 C ATOM 513 CG GLU A 33 -10.860 -11.654 -1.183 1.00 0.00 C ATOM 514 CD GLU A 33 -9.672 -10.813 -1.656 1.00 0.00 C ATOM 515 OE1 GLU A 33 -8.666 -10.804 -0.967 1.00 0.00 O ATOM 516 OE2 GLU A 33 -9.790 -10.194 -2.700 1.00 0.00 O ATOM 0 H GLU A 33 -8.255 -12.614 0.834 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.257 -12.821 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.384 -13.234 -1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.039 -13.809 -1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.601 -11.736 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.350 -11.168 -0.340 1.00 0.00 H new ATOM 523 N ALA A 34 -10.793 -15.521 0.607 1.00 0.00 N ATOM 524 CA ALA A 34 -10.606 -16.949 0.994 1.00 0.00 C ATOM 525 C ALA A 34 -9.854 -17.704 -0.105 1.00 0.00 C ATOM 526 O ALA A 34 -9.731 -18.913 -0.068 1.00 0.00 O ATOM 527 CB ALA A 34 -12.021 -17.504 1.152 1.00 0.00 C ATOM 0 H ALA A 34 -11.491 -15.355 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.021 -17.055 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.970 -18.555 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.548 -16.944 1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.556 -17.410 0.207 1.00 0.00 H new ATOM 533 N ARG A 35 -9.350 -17.002 -1.083 1.00 0.00 N ATOM 534 CA ARG A 35 -8.607 -17.683 -2.182 1.00 0.00 C ATOM 535 C ARG A 35 -7.256 -16.999 -2.415 1.00 0.00 C ATOM 536 O ARG A 35 -6.541 -17.319 -3.344 1.00 0.00 O ATOM 537 CB ARG A 35 -9.501 -17.536 -3.414 1.00 0.00 C ATOM 538 CG ARG A 35 -10.478 -18.712 -3.480 1.00 0.00 C ATOM 539 CD ARG A 35 -9.798 -19.903 -4.160 1.00 0.00 C ATOM 540 NE ARG A 35 -10.913 -20.707 -4.731 1.00 0.00 N ATOM 541 CZ ARG A 35 -10.732 -21.382 -5.834 1.00 0.00 C ATOM 542 NH1 ARG A 35 -10.395 -20.760 -6.930 1.00 0.00 N ATOM 543 NH2 ARG A 35 -10.889 -22.677 -5.839 1.00 0.00 N ATOM 0 H ARG A 35 -9.420 -15.988 -1.169 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.397 -18.727 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.050 -16.596 -3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.891 -17.505 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.800 -18.988 -2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.372 -18.425 -4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.110 -19.573 -4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.216 -20.486 -3.446 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.818 -20.731 -4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.273 -19.747 -6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.253 -21.286 -7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.153 -23.162 -4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.748 -23.205 -6.700 1.00 0.00 H new ATOM 557 N GLY A 36 -6.902 -16.061 -1.579 1.00 0.00 N ATOM 558 CA GLY A 36 -5.599 -15.360 -1.756 1.00 0.00 C ATOM 559 C GLY A 36 -5.753 -13.885 -1.382 1.00 0.00 C ATOM 560 O GLY A 36 -6.814 -13.308 -1.518 1.00 0.00 O ATOM 0 H GLY A 36 -7.458 -15.750 -0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.837 -15.826 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.264 -15.450 -2.789 1.00 0.00 H new ATOM 564 N THR A 37 -4.704 -13.270 -0.908 1.00 0.00 N ATOM 565 CA THR A 37 -4.790 -11.832 -0.525 1.00 0.00 C ATOM 566 C THR A 37 -4.045 -10.967 -1.544 1.00 0.00 C ATOM 567 O THR A 37 -3.127 -11.417 -2.202 1.00 0.00 O ATOM 568 CB THR A 37 -4.117 -11.747 0.846 1.00 0.00 C ATOM 569 OG1 THR A 37 -4.599 -12.796 1.675 1.00 0.00 O ATOM 570 CG2 THR A 37 -4.436 -10.396 1.490 1.00 0.00 C ATOM 0 H THR A 37 -3.790 -13.702 -0.769 1.00 0.00 H new ATOM 0 HA THR A 37 -5.819 -11.473 -0.497 1.00 0.00 H new ATOM 0 HB THR A 37 -3.038 -11.844 0.728 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.167 -12.744 2.553 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.956 -10.336 2.467 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.065 -9.593 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.515 -10.295 1.609 1.00 0.00 H new ATOM 578 N ARG A 38 -4.431 -9.728 -1.681 1.00 0.00 N ATOM 579 CA ARG A 38 -3.742 -8.836 -2.658 1.00 0.00 C ATOM 580 C ARG A 38 -3.279 -7.550 -1.969 1.00 0.00 C ATOM 581 O ARG A 38 -3.680 -7.247 -0.863 1.00 0.00 O ATOM 582 CB ARG A 38 -4.798 -8.524 -3.719 1.00 0.00 C ATOM 583 CG ARG A 38 -4.505 -9.331 -4.986 1.00 0.00 C ATOM 584 CD ARG A 38 -4.495 -8.395 -6.196 1.00 0.00 C ATOM 585 NE ARG A 38 -5.907 -7.947 -6.347 1.00 0.00 N ATOM 586 CZ ARG A 38 -6.579 -8.258 -7.422 1.00 0.00 C ATOM 587 NH1 ARG A 38 -6.903 -9.500 -7.653 1.00 0.00 N ATOM 588 NH2 ARG A 38 -6.926 -7.326 -8.267 1.00 0.00 N ATOM 0 H ARG A 38 -5.193 -9.295 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.855 -9.302 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.791 -8.768 -3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.796 -7.458 -3.946 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.543 -9.835 -4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.260 -10.106 -5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.827 -7.549 -6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.146 -8.910 -7.091 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.349 -7.397 -5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.631 -10.229 -6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.428 -9.742 -8.493 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.672 -6.355 -8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.451 -7.569 -9.107 1.00 0.00 H new ATOM 602 N ILE A 39 -2.437 -6.791 -2.615 1.00 0.00 N ATOM 603 CA ILE A 39 -1.950 -5.524 -1.997 1.00 0.00 C ATOM 604 C ILE A 39 -1.933 -4.400 -3.039 1.00 0.00 C ATOM 605 O ILE A 39 -1.632 -4.619 -4.195 1.00 0.00 O ATOM 606 CB ILE A 39 -0.532 -5.838 -1.514 1.00 0.00 C ATOM 607 CG1 ILE A 39 -0.080 -4.759 -0.527 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.426 -5.868 -2.707 1.00 0.00 C ATOM 609 CD1 ILE A 39 1.409 -4.935 -0.225 1.00 0.00 C ATOM 0 H ILE A 39 -2.065 -6.993 -3.543 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.590 -5.187 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.526 -6.811 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.263 -3.769 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.659 -4.828 0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.434 -6.092 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.106 -6.636 -3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.421 -4.897 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.731 -4.167 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.578 -5.920 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.981 -4.844 -1.149 1.00 0.00 H new ATOM 621 N GLU A 40 -2.256 -3.201 -2.638 1.00 0.00 N ATOM 622 CA GLU A 40 -2.260 -2.070 -3.608 1.00 0.00 C ATOM 623 C GLU A 40 -1.392 -0.920 -3.086 1.00 0.00 C ATOM 624 O GLU A 40 -1.428 -0.584 -1.919 1.00 0.00 O ATOM 625 CB GLU A 40 -3.722 -1.634 -3.706 1.00 0.00 C ATOM 626 CG GLU A 40 -4.435 -2.469 -4.772 1.00 0.00 C ATOM 627 CD GLU A 40 -5.853 -1.936 -4.976 1.00 0.00 C ATOM 628 OE1 GLU A 40 -5.992 -0.910 -5.623 1.00 0.00 O ATOM 629 OE2 GLU A 40 -6.777 -2.559 -4.482 1.00 0.00 O ATOM 0 H GLU A 40 -2.517 -2.956 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.855 -2.359 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.215 -1.759 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.780 -0.575 -3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.882 -2.429 -5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.469 -3.515 -4.467 1.00 0.00 H new ATOM 636 N ARG A 41 -0.615 -0.317 -3.943 1.00 0.00 N ATOM 637 CA ARG A 41 0.253 0.811 -3.497 1.00 0.00 C ATOM 638 C ARG A 41 -0.243 2.128 -4.099 1.00 0.00 C ATOM 639 O ARG A 41 -1.245 2.170 -4.785 1.00 0.00 O ATOM 640 CB ARG A 41 1.646 0.470 -4.025 1.00 0.00 C ATOM 641 CG ARG A 41 1.994 -0.973 -3.653 1.00 0.00 C ATOM 642 CD ARG A 41 1.961 -1.846 -4.909 1.00 0.00 C ATOM 643 NE ARG A 41 0.874 -2.835 -4.664 1.00 0.00 N ATOM 644 CZ ARG A 41 0.378 -3.520 -5.659 1.00 0.00 C ATOM 645 NH1 ARG A 41 -0.233 -2.906 -6.634 1.00 0.00 N ATOM 646 NH2 ARG A 41 0.496 -4.820 -5.680 1.00 0.00 N ATOM 0 H ARG A 41 -0.543 -0.556 -4.932 1.00 0.00 H new ATOM 0 HA ARG A 41 0.247 0.935 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.677 0.595 -5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.383 1.153 -3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.982 -1.013 -3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.285 -1.351 -2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.759 -1.250 -5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.918 -2.343 -5.069 1.00 0.00 H new ATOM 0 HE ARG A 41 0.517 -2.977 -3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.324 -1.890 -6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.620 -3.442 -7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.976 -5.301 -4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.108 -5.355 -6.457 1.00 0.00 H new ATOM 660 N GLY A 42 0.450 3.205 -3.849 1.00 0.00 N ATOM 661 CA GLY A 42 0.016 4.516 -4.408 1.00 0.00 C ATOM 662 C GLY A 42 0.130 5.595 -3.329 1.00 0.00 C ATOM 663 O GLY A 42 0.481 5.321 -2.199 1.00 0.00 O ATOM 0 H GLY A 42 1.297 3.234 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.633 4.779 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.012 4.449 -4.763 1.00 0.00 H new ATOM 667 N CYS A 43 -0.164 6.820 -3.670 1.00 0.00 N ATOM 668 CA CYS A 43 -0.072 7.916 -2.663 1.00 0.00 C ATOM 669 C CYS A 43 -1.377 8.717 -2.627 1.00 0.00 C ATOM 670 O CYS A 43 -1.826 9.233 -3.632 1.00 0.00 O ATOM 671 CB CYS A 43 1.083 8.797 -3.139 1.00 0.00 C ATOM 672 SG CYS A 43 2.525 7.763 -3.500 1.00 0.00 S ATOM 0 H CYS A 43 -0.464 7.109 -4.601 1.00 0.00 H new ATOM 0 HA CYS A 43 0.093 7.535 -1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.788 9.351 -4.030 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.332 9.532 -2.374 1.00 0.00 H new ATOM 677 N ALA A 44 -1.988 8.824 -1.479 1.00 0.00 N ATOM 678 CA ALA A 44 -3.262 9.594 -1.381 1.00 0.00 C ATOM 679 C ALA A 44 -3.344 10.312 -0.031 1.00 0.00 C ATOM 680 O ALA A 44 -2.355 10.471 0.658 1.00 0.00 O ATOM 681 CB ALA A 44 -4.369 8.546 -1.498 1.00 0.00 C ATOM 0 H ALA A 44 -1.661 8.412 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.342 10.359 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.341 9.035 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.283 8.031 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.273 7.823 -0.688 1.00 0.00 H new ATOM 687 N ALA A 45 -4.513 10.745 0.352 1.00 0.00 N ATOM 688 CA ALA A 45 -4.657 11.451 1.657 1.00 0.00 C ATOM 689 C ALA A 45 -5.827 10.866 2.453 1.00 0.00 C ATOM 690 O ALA A 45 -6.102 11.274 3.564 1.00 0.00 O ATOM 691 CB ALA A 45 -4.937 12.909 1.288 1.00 0.00 C ATOM 0 H ALA A 45 -5.376 10.641 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.769 11.349 2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.056 13.498 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.104 13.304 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.851 12.966 0.697 1.00 0.00 H new ATOM 697 N THR A 46 -6.518 9.909 1.894 1.00 0.00 N ATOM 698 CA THR A 46 -7.668 9.298 2.621 1.00 0.00 C ATOM 699 C THR A 46 -7.262 7.946 3.210 1.00 0.00 C ATOM 700 O THR A 46 -6.784 7.072 2.514 1.00 0.00 O ATOM 701 CB THR A 46 -8.754 9.116 1.558 1.00 0.00 C ATOM 702 OG1 THR A 46 -8.273 8.256 0.535 1.00 0.00 O ATOM 703 CG2 THR A 46 -9.115 10.475 0.956 1.00 0.00 C ATOM 0 H THR A 46 -6.336 9.524 0.967 1.00 0.00 H new ATOM 0 HA THR A 46 -8.009 9.916 3.452 1.00 0.00 H new ATOM 0 HB THR A 46 -9.641 8.677 2.016 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.660 7.597 0.923 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.888 10.344 0.199 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.484 11.134 1.742 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.230 10.917 0.498 1.00 0.00 H new ATOM 711 N CYS A 47 -7.445 7.767 4.490 1.00 0.00 N ATOM 712 CA CYS A 47 -7.067 6.472 5.122 1.00 0.00 C ATOM 713 C CYS A 47 -8.316 5.740 5.620 1.00 0.00 C ATOM 714 O CYS A 47 -8.706 5.882 6.763 1.00 0.00 O ATOM 715 CB CYS A 47 -6.167 6.858 6.295 1.00 0.00 C ATOM 716 SG CYS A 47 -4.607 7.523 5.663 1.00 0.00 S ATOM 0 H CYS A 47 -7.840 8.461 5.125 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.566 5.801 4.425 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.664 7.599 6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.976 5.988 6.923 1.00 0.00 H new ATOM 721 N PRO A 48 -8.902 4.977 4.738 1.00 0.00 N ATOM 722 CA PRO A 48 -10.122 4.208 5.084 1.00 0.00 C ATOM 723 C PRO A 48 -9.769 3.028 5.995 1.00 0.00 C ATOM 724 O PRO A 48 -8.645 2.886 6.433 1.00 0.00 O ATOM 725 CB PRO A 48 -10.632 3.718 3.733 1.00 0.00 C ATOM 726 CG PRO A 48 -9.425 3.693 2.848 1.00 0.00 C ATOM 727 CD PRO A 48 -8.487 4.762 3.348 1.00 0.00 C ATOM 0 HA PRO A 48 -10.862 4.798 5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.081 2.728 3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.399 4.383 3.336 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.945 2.715 2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.704 3.879 1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.447 4.441 3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.573 5.676 2.760 1.00 0.00 H new ATOM 735 N LYS A 49 -10.720 2.184 6.282 1.00 0.00 N ATOM 736 CA LYS A 49 -10.438 1.014 7.164 1.00 0.00 C ATOM 737 C LYS A 49 -11.000 -0.266 6.541 1.00 0.00 C ATOM 738 O LYS A 49 -11.377 -0.292 5.386 1.00 0.00 O ATOM 739 CB LYS A 49 -11.151 1.331 8.479 1.00 0.00 C ATOM 740 CG LYS A 49 -10.124 1.750 9.531 1.00 0.00 C ATOM 741 CD LYS A 49 -10.562 3.066 10.179 1.00 0.00 C ATOM 742 CE LYS A 49 -11.833 2.834 10.998 1.00 0.00 C ATOM 743 NZ LYS A 49 -11.921 4.008 11.909 1.00 0.00 N ATOM 0 H LYS A 49 -11.680 2.252 5.945 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.370 0.852 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.878 2.129 8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.704 0.458 8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.028 0.973 10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.143 1.868 9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.768 3.450 10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.743 3.819 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.711 2.766 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.777 1.901 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.769 3.922 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.075 4.043 12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.980 4.881 11.346 1.00 0.00 H new ATOM 757 N GLY A 50 -11.060 -1.330 7.295 1.00 0.00 N ATOM 758 CA GLY A 50 -11.599 -2.606 6.743 1.00 0.00 C ATOM 759 C GLY A 50 -12.389 -3.340 7.827 1.00 0.00 C ATOM 760 O GLY A 50 -12.986 -2.731 8.693 1.00 0.00 O ATOM 0 H GLY A 50 -10.759 -1.371 8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.241 -2.401 5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.782 -3.233 6.386 1.00 0.00 H new ATOM 764 N SER A 51 -12.400 -4.644 7.786 1.00 0.00 N ATOM 765 CA SER A 51 -13.153 -5.417 8.815 1.00 0.00 C ATOM 766 C SER A 51 -12.220 -6.401 9.526 1.00 0.00 C ATOM 767 O SER A 51 -11.023 -6.397 9.319 1.00 0.00 O ATOM 768 CB SER A 51 -14.231 -6.167 8.034 1.00 0.00 C ATOM 769 OG SER A 51 -15.335 -6.428 8.891 1.00 0.00 O ATOM 0 H SER A 51 -11.920 -5.208 7.085 1.00 0.00 H new ATOM 0 HA SER A 51 -13.580 -4.774 9.585 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.553 -5.576 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 51 -13.830 -7.102 7.644 1.00 0.00 H new ATOM 0 HG SER A 51 -16.030 -6.908 8.393 1.00 0.00 H new ATOM 775 N VAL A 52 -12.759 -7.244 10.363 1.00 0.00 N ATOM 776 CA VAL A 52 -11.903 -8.227 11.087 1.00 0.00 C ATOM 777 C VAL A 52 -11.015 -8.988 10.097 1.00 0.00 C ATOM 778 O VAL A 52 -10.007 -9.558 10.465 1.00 0.00 O ATOM 779 CB VAL A 52 -12.884 -9.180 11.770 1.00 0.00 C ATOM 780 CG1 VAL A 52 -13.520 -8.480 12.973 1.00 0.00 C ATOM 781 CG2 VAL A 52 -13.978 -9.582 10.779 1.00 0.00 C ATOM 0 H VAL A 52 -13.755 -7.295 10.577 1.00 0.00 H new ATOM 0 HA VAL A 52 -11.238 -7.745 11.803 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.352 -10.070 12.106 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.220 -9.159 13.461 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.742 -8.192 13.680 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.052 -7.590 12.637 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.678 -10.262 11.265 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.510 -8.692 10.444 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.526 -10.079 9.921 1.00 0.00 H new ATOM 791 N TYR A 53 -11.381 -9.001 8.844 1.00 0.00 N ATOM 792 CA TYR A 53 -10.556 -9.724 7.834 1.00 0.00 C ATOM 793 C TYR A 53 -11.126 -9.503 6.430 1.00 0.00 C ATOM 794 O TYR A 53 -11.602 -10.418 5.790 1.00 0.00 O ATOM 795 CB TYR A 53 -10.653 -11.199 8.226 1.00 0.00 C ATOM 796 CG TYR A 53 -9.363 -11.633 8.880 1.00 0.00 C ATOM 797 CD1 TYR A 53 -8.136 -11.314 8.286 1.00 0.00 C ATOM 798 CD2 TYR A 53 -9.394 -12.353 10.081 1.00 0.00 C ATOM 799 CE1 TYR A 53 -6.940 -11.715 8.892 1.00 0.00 C ATOM 800 CE2 TYR A 53 -8.197 -12.754 10.686 1.00 0.00 C ATOM 801 CZ TYR A 53 -6.970 -12.436 10.092 1.00 0.00 C ATOM 802 OH TYR A 53 -5.791 -12.832 10.689 1.00 0.00 O ATOM 0 H TYR A 53 -12.215 -8.543 8.476 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.524 -9.374 7.816 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -11.488 -11.350 8.910 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.849 -11.808 7.344 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -8.112 -10.758 7.360 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.340 -12.599 10.540 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.994 -11.468 8.434 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.220 -13.309 11.612 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.990 -13.321 11.515 1.00 0.00 H new ATOM 812 N GLY A 54 -11.082 -8.291 5.947 1.00 0.00 N ATOM 813 CA GLY A 54 -11.621 -8.010 4.585 1.00 0.00 C ATOM 814 C GLY A 54 -10.548 -7.318 3.743 1.00 0.00 C ATOM 815 O GLY A 54 -10.229 -7.748 2.651 1.00 0.00 O ATOM 0 H GLY A 54 -10.696 -7.483 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.931 -8.939 4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.506 -7.378 4.656 1.00 0.00 H new ATOM 819 N LEU A 55 -9.988 -6.250 4.239 1.00 0.00 N ATOM 820 CA LEU A 55 -8.936 -5.531 3.466 1.00 0.00 C ATOM 821 C LEU A 55 -8.044 -4.722 4.411 1.00 0.00 C ATOM 822 O LEU A 55 -8.430 -4.396 5.516 1.00 0.00 O ATOM 823 CB LEU A 55 -9.703 -4.600 2.524 1.00 0.00 C ATOM 824 CG LEU A 55 -10.396 -3.507 3.339 1.00 0.00 C ATOM 825 CD1 LEU A 55 -10.007 -2.135 2.789 1.00 0.00 C ATOM 826 CD2 LEU A 55 -11.912 -3.685 3.240 1.00 0.00 C ATOM 0 H LEU A 55 -10.213 -5.843 5.147 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.284 -6.215 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.020 -4.152 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.440 -5.167 1.956 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.087 -3.580 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.501 -1.357 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.927 -2.008 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.315 -2.060 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.408 -2.907 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.220 -3.612 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.190 -4.663 3.632 1.00 0.00 H new ATOM 838 N TYR A 56 -6.855 -4.397 3.985 1.00 0.00 N ATOM 839 CA TYR A 56 -5.938 -3.611 4.860 1.00 0.00 C ATOM 840 C TYR A 56 -5.655 -2.243 4.230 1.00 0.00 C ATOM 841 O TYR A 56 -5.834 -2.048 3.045 1.00 0.00 O ATOM 842 CB TYR A 56 -4.658 -4.442 4.938 1.00 0.00 C ATOM 843 CG TYR A 56 -4.062 -4.326 6.321 1.00 0.00 C ATOM 844 CD1 TYR A 56 -4.592 -5.077 7.376 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.981 -3.468 6.546 1.00 0.00 C ATOM 846 CE1 TYR A 56 -4.039 -4.971 8.658 1.00 0.00 C ATOM 847 CE2 TYR A 56 -2.427 -3.360 7.828 1.00 0.00 C ATOM 848 CZ TYR A 56 -2.957 -4.112 8.884 1.00 0.00 C ATOM 849 OH TYR A 56 -2.411 -4.006 10.148 1.00 0.00 O ATOM 0 H TYR A 56 -6.478 -4.641 3.069 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.363 -3.425 5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.876 -5.486 4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.942 -4.096 4.192 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.428 -5.738 7.201 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.573 -2.888 5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.447 -5.552 9.472 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.592 -2.698 8.002 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.667 -3.368 10.131 1.00 0.00 H new ATOM 859 N VAL A 57 -5.216 -1.297 5.013 1.00 0.00 N ATOM 860 CA VAL A 57 -4.922 0.055 4.454 1.00 0.00 C ATOM 861 C VAL A 57 -4.023 0.842 5.412 1.00 0.00 C ATOM 862 O VAL A 57 -4.437 1.239 6.484 1.00 0.00 O ATOM 863 CB VAL A 57 -6.286 0.732 4.317 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.968 0.794 5.685 1.00 0.00 C ATOM 865 CG2 VAL A 57 -6.097 2.150 3.778 1.00 0.00 C ATOM 0 H VAL A 57 -5.048 -1.400 6.014 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.396 0.002 3.501 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.907 0.159 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.940 1.277 5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.103 -0.217 6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.348 1.366 6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.069 2.634 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.475 2.721 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.613 2.107 2.802 1.00 0.00 H new ATOM 875 N LEU A 58 -2.795 1.071 5.033 1.00 0.00 N ATOM 876 CA LEU A 58 -1.868 1.832 5.922 1.00 0.00 C ATOM 877 C LEU A 58 -1.367 3.091 5.209 1.00 0.00 C ATOM 878 O LEU A 58 -1.103 3.081 4.024 1.00 0.00 O ATOM 879 CB LEU A 58 -0.708 0.872 6.195 1.00 0.00 C ATOM 880 CG LEU A 58 -0.266 1.004 7.653 1.00 0.00 C ATOM 881 CD1 LEU A 58 -0.058 -0.388 8.251 1.00 0.00 C ATOM 882 CD2 LEU A 58 1.049 1.786 7.717 1.00 0.00 C ATOM 0 H LEU A 58 -2.393 0.765 4.147 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.352 2.160 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.015 -0.153 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.126 1.095 5.530 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.033 1.532 8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.257 -0.294 9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.992 -0.947 8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.710 -0.916 7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.366 1.881 8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.815 1.256 7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.903 2.778 7.290 1.00 0.00 H new ATOM 894 N CYS A 59 -1.235 4.178 5.921 1.00 0.00 N ATOM 895 CA CYS A 59 -0.749 5.434 5.277 1.00 0.00 C ATOM 896 C CYS A 59 0.643 5.796 5.802 1.00 0.00 C ATOM 897 O CYS A 59 0.958 5.581 6.956 1.00 0.00 O ATOM 898 CB CYS A 59 -1.762 6.506 5.678 1.00 0.00 C ATOM 899 SG CYS A 59 -3.442 5.894 5.396 1.00 0.00 S ATOM 0 H CYS A 59 -1.442 4.251 6.917 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.666 5.333 4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.632 6.769 6.728 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.593 7.414 5.099 1.00 0.00 H new ATOM 904 N CYS A 60 1.478 6.348 4.964 1.00 0.00 N ATOM 905 CA CYS A 60 2.846 6.728 5.418 1.00 0.00 C ATOM 906 C CYS A 60 3.444 7.775 4.476 1.00 0.00 C ATOM 907 O CYS A 60 2.740 8.462 3.762 1.00 0.00 O ATOM 908 CB CYS A 60 3.667 5.441 5.353 1.00 0.00 C ATOM 909 SG CYS A 60 4.101 4.906 7.027 1.00 0.00 S ATOM 0 H CYS A 60 1.272 6.552 3.986 1.00 0.00 H new ATOM 0 HA CYS A 60 2.835 7.158 6.420 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.098 4.661 4.848 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.572 5.605 4.768 1.00 0.00 H new ATOM 914 N THR A 61 4.743 7.892 4.464 1.00 0.00 N ATOM 915 CA THR A 61 5.395 8.880 3.572 1.00 0.00 C ATOM 916 C THR A 61 6.763 8.359 3.126 1.00 0.00 C ATOM 917 O THR A 61 7.229 7.337 3.588 1.00 0.00 O ATOM 918 CB THR A 61 5.546 10.146 4.416 1.00 0.00 C ATOM 919 OG1 THR A 61 6.029 11.203 3.599 1.00 0.00 O ATOM 920 CG2 THR A 61 6.533 9.889 5.556 1.00 0.00 C ATOM 0 H THR A 61 5.381 7.341 5.038 1.00 0.00 H new ATOM 0 HA THR A 61 4.816 9.068 2.668 1.00 0.00 H new ATOM 0 HB THR A 61 4.577 10.421 4.833 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.125 12.016 4.138 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.639 10.793 6.156 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.162 9.078 6.183 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.503 9.612 5.142 1.00 0.00 H new ATOM 928 N THR A 62 7.407 9.053 2.231 1.00 0.00 N ATOM 929 CA THR A 62 8.746 8.601 1.755 1.00 0.00 C ATOM 930 C THR A 62 8.744 7.090 1.489 1.00 0.00 C ATOM 931 O THR A 62 7.705 6.468 1.387 1.00 0.00 O ATOM 932 CB THR A 62 9.707 8.950 2.891 1.00 0.00 C ATOM 933 OG1 THR A 62 9.127 8.571 4.131 1.00 0.00 O ATOM 934 CG2 THR A 62 9.974 10.456 2.890 1.00 0.00 C ATOM 0 H THR A 62 7.065 9.915 1.807 1.00 0.00 H new ATOM 0 HA THR A 62 9.031 9.079 0.818 1.00 0.00 H new ATOM 0 HB THR A 62 10.647 8.417 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.556 9.068 4.858 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.659 10.705 3.700 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.418 10.746 1.938 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.035 10.992 3.031 1.00 0.00 H new ATOM 942 N ASP A 63 9.905 6.502 1.361 1.00 0.00 N ATOM 943 CA ASP A 63 9.987 5.035 1.082 1.00 0.00 C ATOM 944 C ASP A 63 9.130 4.233 2.067 1.00 0.00 C ATOM 945 O ASP A 63 9.473 4.084 3.221 1.00 0.00 O ATOM 946 CB ASP A 63 11.464 4.683 1.257 1.00 0.00 C ATOM 947 CG ASP A 63 11.739 3.309 0.648 1.00 0.00 C ATOM 948 OD1 ASP A 63 11.011 2.384 0.969 1.00 0.00 O ATOM 949 OD2 ASP A 63 12.675 3.203 -0.129 1.00 0.00 O ATOM 0 H ASP A 63 10.805 6.976 1.438 1.00 0.00 H new ATOM 0 HA ASP A 63 9.615 4.795 0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.087 5.437 0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.725 4.682 2.315 1.00 0.00 H new ATOM 954 N ASP A 64 8.025 3.704 1.606 1.00 0.00 N ATOM 955 CA ASP A 64 7.133 2.891 2.498 1.00 0.00 C ATOM 956 C ASP A 64 6.707 3.684 3.745 1.00 0.00 C ATOM 957 O ASP A 64 5.578 4.110 3.850 1.00 0.00 O ATOM 958 CB ASP A 64 7.977 1.681 2.900 1.00 0.00 C ATOM 959 CG ASP A 64 7.660 0.508 1.972 1.00 0.00 C ATOM 960 OD1 ASP A 64 6.723 0.626 1.198 1.00 0.00 O ATOM 961 OD2 ASP A 64 8.357 -0.491 2.049 1.00 0.00 O ATOM 0 H ASP A 64 7.698 3.799 0.645 1.00 0.00 H new ATOM 0 HA ASP A 64 6.211 2.609 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.037 1.928 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.769 1.407 3.934 1.00 0.00 H new ATOM 966 N CYS A 65 7.597 3.892 4.685 1.00 0.00 N ATOM 967 CA CYS A 65 7.230 4.664 5.907 1.00 0.00 C ATOM 968 C CYS A 65 8.445 5.468 6.380 1.00 0.00 C ATOM 969 O CYS A 65 8.538 5.857 7.527 1.00 0.00 O ATOM 970 CB CYS A 65 6.841 3.613 6.947 1.00 0.00 C ATOM 971 SG CYS A 65 5.097 3.170 6.743 1.00 0.00 S ATOM 0 H CYS A 65 8.561 3.559 4.656 1.00 0.00 H new ATOM 0 HA CYS A 65 6.417 5.369 5.731 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.467 2.728 6.835 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.013 4.000 7.951 1.00 0.00 H new ATOM 976 N ASN A 66 9.376 5.711 5.496 1.00 0.00 N ATOM 977 CA ASN A 66 10.597 6.484 5.871 1.00 0.00 C ATOM 978 C ASN A 66 10.235 7.633 6.816 1.00 0.00 C ATOM 979 O ASN A 66 10.296 7.428 8.017 1.00 0.00 O ATOM 980 CB ASN A 66 11.134 7.027 4.545 1.00 0.00 C ATOM 981 CG ASN A 66 12.455 6.338 4.199 1.00 0.00 C ATOM 982 OD1 ASN A 66 13.094 5.758 5.055 1.00 0.00 O ATOM 983 ND2 ASN A 66 12.894 6.380 2.970 1.00 0.00 N ATOM 984 OXT ASN A 66 9.907 8.700 6.322 1.00 0.00 O ATOM 0 H ASN A 66 9.343 5.405 4.523 1.00 0.00 H new ATOM 0 HA ASN A 66 11.331 5.871 6.393 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.406 6.858 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.283 8.104 4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.774 5.926 2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.357 6.867 2.253 1.00 0.00 H new