USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 281 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -108:sc= -2.39! (180deg=-2.89!) USER MOD Single : A 4 ASN : amide:sc= -0.115! C(o=-0.11!,f=-8.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= -0.152 (180deg=-0.503) USER MOD Single : A 29 MET CE :methyl -140:sc= -0.485 (180deg=-2.03!) USER MOD Single : A 30 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.435 9.211 2.860 1.00 0.00 N ATOM 2 CA VAL A 1 -2.869 7.807 3.113 1.00 0.00 C ATOM 3 C VAL A 1 -1.805 6.835 2.610 1.00 0.00 C ATOM 4 O VAL A 1 -2.103 5.774 2.098 1.00 0.00 O ATOM 5 CB VAL A 1 -4.168 7.648 2.323 1.00 0.00 C ATOM 6 CG1 VAL A 1 -5.204 8.649 2.837 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.898 7.918 0.841 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.176 9.662 3.761 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.613 9.211 2.223 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.214 9.741 2.419 1.00 0.00 H new ATOM 0 HA VAL A 1 -3.013 7.598 4.173 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.547 6.634 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -6.130 8.536 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -5.397 8.463 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.824 9.663 2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.823 7.805 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.520 8.933 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.158 7.208 0.471 1.00 0.00 H new ATOM 19 N PHE A 2 -0.564 7.198 2.755 1.00 0.00 N ATOM 20 CA PHE A 2 0.541 6.311 2.290 1.00 0.00 C ATOM 21 C PHE A 2 1.287 5.728 3.493 1.00 0.00 C ATOM 22 O PHE A 2 1.399 6.354 4.528 1.00 0.00 O ATOM 23 CB PHE A 2 1.465 7.223 1.481 1.00 0.00 C ATOM 24 CG PHE A 2 1.058 7.201 0.026 1.00 0.00 C ATOM 25 CD1 PHE A 2 -0.297 7.177 -0.325 1.00 0.00 C ATOM 26 CD2 PHE A 2 2.038 7.208 -0.973 1.00 0.00 C ATOM 27 CE1 PHE A 2 -0.672 7.159 -1.674 1.00 0.00 C ATOM 28 CE2 PHE A 2 1.664 7.190 -2.322 1.00 0.00 C ATOM 29 CZ PHE A 2 0.309 7.165 -2.672 1.00 0.00 C ATOM 0 H PHE A 2 -0.263 8.076 3.178 1.00 0.00 H new ATOM 0 HA PHE A 2 0.177 5.470 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.415 8.241 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.499 6.893 1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.054 7.172 0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.084 7.227 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.718 7.141 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.421 7.195 -3.092 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.020 7.150 -3.713 1.00 0.00 H new ATOM 39 N ILE A 3 1.803 4.535 3.367 1.00 0.00 N ATOM 40 CA ILE A 3 2.545 3.924 4.509 1.00 0.00 C ATOM 41 C ILE A 3 3.918 3.435 4.041 1.00 0.00 C ATOM 42 O ILE A 3 4.066 2.915 2.953 1.00 0.00 O ATOM 43 CB ILE A 3 1.679 2.753 4.975 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.274 1.899 3.772 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.421 3.293 5.659 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.365 0.418 4.144 1.00 0.00 C ATOM 0 H ILE A 3 1.744 3.959 2.527 1.00 0.00 H new ATOM 0 HA ILE A 3 2.720 4.636 5.316 1.00 0.00 H new ATOM 0 HB ILE A 3 2.246 2.142 5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.258 2.146 3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.926 2.113 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.198 2.460 5.992 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.706 3.900 6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.142 3.905 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.076 -0.191 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.388 0.177 4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.695 0.211 4.978 1.00 0.00 H new ATOM 58 N ASN A 4 4.925 3.606 4.853 1.00 0.00 N ATOM 59 CA ASN A 4 6.289 3.158 4.452 1.00 0.00 C ATOM 60 C ASN A 4 6.632 1.824 5.118 1.00 0.00 C ATOM 61 O ASN A 4 7.499 1.750 5.965 1.00 0.00 O ATOM 62 CB ASN A 4 7.229 4.257 4.949 1.00 0.00 C ATOM 63 CG ASN A 4 7.052 4.441 6.458 1.00 0.00 C ATOM 64 OD1 ASN A 4 6.063 4.017 7.022 1.00 0.00 O ATOM 65 ND2 ASN A 4 7.977 5.059 7.139 1.00 0.00 N ATOM 0 H ASN A 4 4.863 4.036 5.776 1.00 0.00 H new ATOM 0 HA ASN A 4 6.369 3.004 3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.263 3.995 4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.017 5.192 4.431 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.870 5.186 8.145 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.807 5.415 6.665 1.00 0.00 H new ATOM 72 N ALA A 5 5.966 0.769 4.739 1.00 0.00 N ATOM 73 CA ALA A 5 6.267 -0.557 5.351 1.00 0.00 C ATOM 74 C ALA A 5 7.406 -1.236 4.586 1.00 0.00 C ATOM 75 O ALA A 5 7.688 -2.403 4.776 1.00 0.00 O ATOM 76 CB ALA A 5 4.973 -1.360 5.215 1.00 0.00 C ATOM 0 H ALA A 5 5.229 0.766 4.034 1.00 0.00 H new ATOM 0 HA ALA A 5 6.584 -0.474 6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.114 -2.352 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.169 -0.847 5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.712 -1.454 4.161 1.00 0.00 H new ATOM 82 N LYS A 6 8.063 -0.511 3.721 1.00 0.00 N ATOM 83 CA LYS A 6 9.187 -1.108 2.941 1.00 0.00 C ATOM 84 C LYS A 6 8.736 -2.418 2.293 1.00 0.00 C ATOM 85 O LYS A 6 9.275 -3.473 2.563 1.00 0.00 O ATOM 86 CB LYS A 6 10.295 -1.381 3.959 1.00 0.00 C ATOM 87 CG LYS A 6 10.475 -0.176 4.888 1.00 0.00 C ATOM 88 CD LYS A 6 10.549 -0.665 6.336 1.00 0.00 C ATOM 89 CE LYS A 6 9.922 0.378 7.265 1.00 0.00 C ATOM 90 NZ LYS A 6 9.958 -0.241 8.621 1.00 0.00 N ATOM 0 H LYS A 6 7.870 0.470 3.520 1.00 0.00 H new ATOM 0 HA LYS A 6 9.524 -0.446 2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.049 -2.267 4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.230 -1.591 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.384 0.367 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.644 0.519 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.026 -1.616 6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.587 -0.840 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.482 1.313 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.900 0.611 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.544 0.416 9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.411 -1.126 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.943 -0.445 8.883 1.00 0.00 H new ATOM 104 N CYS A 7 7.749 -2.362 1.445 1.00 0.00 N ATOM 105 CA CYS A 7 7.262 -3.607 0.788 1.00 0.00 C ATOM 106 C CYS A 7 8.279 -4.098 -0.246 1.00 0.00 C ATOM 107 O CYS A 7 9.110 -3.349 -0.721 1.00 0.00 O ATOM 108 CB CYS A 7 5.954 -3.209 0.107 1.00 0.00 C ATOM 109 SG CYS A 7 6.301 -2.072 -1.256 1.00 0.00 S ATOM 0 H CYS A 7 7.258 -1.509 1.178 1.00 0.00 H new ATOM 0 HA CYS A 7 7.121 -4.420 1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.443 -4.096 -0.267 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.286 -2.736 0.827 1.00 0.00 H new ATOM 114 N ARG A 8 8.219 -5.354 -0.597 1.00 0.00 N ATOM 115 CA ARG A 8 9.178 -5.897 -1.601 1.00 0.00 C ATOM 116 C ARG A 8 8.505 -5.992 -2.972 1.00 0.00 C ATOM 117 O ARG A 8 9.160 -6.111 -3.989 1.00 0.00 O ATOM 118 CB ARG A 8 9.543 -7.290 -1.086 1.00 0.00 C ATOM 119 CG ARG A 8 10.474 -7.162 0.121 1.00 0.00 C ATOM 120 CD ARG A 8 11.742 -7.979 -0.125 1.00 0.00 C ATOM 121 NE ARG A 8 11.849 -8.881 1.054 1.00 0.00 N ATOM 122 CZ ARG A 8 12.595 -8.542 2.068 1.00 0.00 C ATOM 123 NH1 ARG A 8 12.169 -7.655 2.925 1.00 0.00 N ATOM 124 NH2 ARG A 8 13.771 -9.088 2.223 1.00 0.00 N ATOM 0 H ARG A 8 7.547 -6.028 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 8 10.057 -5.263 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.641 -7.833 -0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.030 -7.864 -1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.729 -6.115 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.970 -7.514 1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.672 -8.547 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.617 -7.335 -0.211 1.00 0.00 H new ATOM 0 HE ARG A 8 11.339 -9.764 1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.252 -7.226 2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.753 -7.390 3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.105 -9.779 1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.356 -8.824 3.016 1.00 0.00 H new ATOM 138 N GLY A 9 7.201 -5.942 -3.006 1.00 0.00 N ATOM 139 CA GLY A 9 6.487 -6.032 -4.310 1.00 0.00 C ATOM 140 C GLY A 9 5.310 -5.057 -4.326 1.00 0.00 C ATOM 141 O GLY A 9 4.739 -4.734 -3.303 1.00 0.00 O ATOM 0 H GLY A 9 6.600 -5.843 -2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.172 -5.803 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.130 -7.049 -4.470 1.00 0.00 H new ATOM 145 N SER A 10 4.942 -4.589 -5.486 1.00 0.00 N ATOM 146 CA SER A 10 3.801 -3.635 -5.591 1.00 0.00 C ATOM 147 C SER A 10 2.540 -4.184 -4.899 1.00 0.00 C ATOM 148 O SER A 10 1.900 -3.473 -4.149 1.00 0.00 O ATOM 149 CB SER A 10 3.561 -3.478 -7.092 1.00 0.00 C ATOM 150 OG SER A 10 2.162 -3.485 -7.345 1.00 0.00 O ATOM 0 H SER A 10 5.386 -4.828 -6.373 1.00 0.00 H new ATOM 0 HA SER A 10 4.025 -2.687 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.002 -2.547 -7.448 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.045 -4.289 -7.637 1.00 0.00 H new ATOM 0 HG SER A 10 2.003 -3.383 -8.307 1.00 0.00 H new ATOM 156 N PRO A 11 2.201 -5.422 -5.181 1.00 0.00 N ATOM 157 CA PRO A 11 0.988 -6.031 -4.581 1.00 0.00 C ATOM 158 C PRO A 11 1.087 -6.103 -3.054 1.00 0.00 C ATOM 159 O PRO A 11 0.089 -6.118 -2.365 1.00 0.00 O ATOM 160 CB PRO A 11 0.969 -7.430 -5.203 1.00 0.00 C ATOM 161 CG PRO A 11 2.177 -7.569 -6.149 1.00 0.00 C ATOM 162 CD PRO A 11 2.997 -6.273 -6.099 1.00 0.00 C ATOM 0 HA PRO A 11 0.082 -5.457 -4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.011 -8.190 -4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.040 -7.587 -5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.794 -8.417 -5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.839 -7.762 -7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.005 -6.445 -5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.100 -5.820 -7.085 1.00 0.00 H new ATOM 170 N GLU A 12 2.273 -6.149 -2.513 1.00 0.00 N ATOM 171 CA GLU A 12 2.399 -6.220 -1.026 1.00 0.00 C ATOM 172 C GLU A 12 1.588 -5.096 -0.375 1.00 0.00 C ATOM 173 O GLU A 12 1.096 -5.227 0.732 1.00 0.00 O ATOM 174 CB GLU A 12 3.891 -6.041 -0.742 1.00 0.00 C ATOM 175 CG GLU A 12 4.117 -5.989 0.771 1.00 0.00 C ATOM 176 CD GLU A 12 4.380 -7.402 1.298 1.00 0.00 C ATOM 177 OE1 GLU A 12 5.436 -7.934 1.004 1.00 0.00 O ATOM 178 OE2 GLU A 12 3.520 -7.925 1.987 1.00 0.00 O ATOM 0 H GLU A 12 3.153 -6.141 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 12 2.021 -7.160 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.457 -6.865 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.254 -5.124 -1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.963 -5.341 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.244 -5.562 1.265 1.00 0.00 H new ATOM 185 N CYS A 13 1.441 -3.990 -1.053 1.00 0.00 N ATOM 186 CA CYS A 13 0.662 -2.856 -0.476 1.00 0.00 C ATOM 187 C CYS A 13 -0.826 -3.209 -0.405 1.00 0.00 C ATOM 188 O CYS A 13 -1.518 -2.817 0.514 1.00 0.00 O ATOM 189 CB CYS A 13 0.896 -1.688 -1.438 1.00 0.00 C ATOM 190 SG CYS A 13 -0.319 -0.382 -1.125 1.00 0.00 S ATOM 0 H CYS A 13 1.827 -3.822 -1.982 1.00 0.00 H new ATOM 0 HA CYS A 13 0.974 -2.617 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.905 -1.297 -1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.816 -2.032 -2.469 1.00 0.00 H new ATOM 195 N LEU A 14 -1.332 -3.941 -1.363 1.00 0.00 N ATOM 196 CA LEU A 14 -2.775 -4.301 -1.327 1.00 0.00 C ATOM 197 C LEU A 14 -3.165 -4.746 0.089 1.00 0.00 C ATOM 198 O LEU A 14 -4.038 -4.157 0.694 1.00 0.00 O ATOM 199 CB LEU A 14 -2.935 -5.437 -2.336 1.00 0.00 C ATOM 200 CG LEU A 14 -3.708 -4.937 -3.558 1.00 0.00 C ATOM 201 CD1 LEU A 14 -5.002 -4.258 -3.105 1.00 0.00 C ATOM 202 CD2 LEU A 14 -2.848 -3.934 -4.328 1.00 0.00 C ATOM 0 H LEU A 14 -0.811 -4.302 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.423 -3.462 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.956 -5.807 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.463 -6.273 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.950 -5.781 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.551 -3.903 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.615 -4.973 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.763 -3.414 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.397 -3.577 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.605 -3.091 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.927 -4.418 -4.653 1.00 0.00 H new ATOM 214 N PRO A 15 -2.492 -5.757 0.592 1.00 0.00 N ATOM 215 CA PRO A 15 -2.777 -6.240 1.962 1.00 0.00 C ATOM 216 C PRO A 15 -2.498 -5.117 2.963 1.00 0.00 C ATOM 217 O PRO A 15 -3.302 -4.820 3.824 1.00 0.00 O ATOM 218 CB PRO A 15 -1.776 -7.386 2.136 1.00 0.00 C ATOM 219 CG PRO A 15 -0.939 -7.509 0.849 1.00 0.00 C ATOM 220 CD PRO A 15 -1.431 -6.465 -0.163 1.00 0.00 C ATOM 0 HA PRO A 15 -3.809 -6.553 2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.128 -7.195 2.992 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.301 -8.320 2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.117 -7.353 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.033 -8.512 0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.632 -5.790 -0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.820 -6.930 -1.069 1.00 0.00 H new ATOM 228 N LYS A 16 -1.359 -4.487 2.846 1.00 0.00 N ATOM 229 CA LYS A 16 -1.019 -3.377 3.783 1.00 0.00 C ATOM 230 C LYS A 16 -2.108 -2.303 3.743 1.00 0.00 C ATOM 231 O LYS A 16 -2.483 -1.748 4.758 1.00 0.00 O ATOM 232 CB LYS A 16 0.303 -2.813 3.263 1.00 0.00 C ATOM 233 CG LYS A 16 1.437 -3.791 3.578 1.00 0.00 C ATOM 234 CD LYS A 16 1.659 -3.845 5.090 1.00 0.00 C ATOM 235 CE LYS A 16 1.434 -5.274 5.588 1.00 0.00 C ATOM 236 NZ LYS A 16 2.715 -5.659 6.243 1.00 0.00 N ATOM 0 H LYS A 16 -0.650 -4.693 2.142 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.941 -3.717 4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.241 -2.646 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.504 -1.846 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.191 -4.783 3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.352 -3.477 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.671 -3.519 5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.975 -3.161 5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.602 -5.321 6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.194 -5.946 4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.639 -6.629 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.488 -5.611 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.914 -5.006 7.028 1.00 0.00 H new ATOM 250 N CYS A 17 -2.616 -2.003 2.579 1.00 0.00 N ATOM 251 CA CYS A 17 -3.677 -0.961 2.476 1.00 0.00 C ATOM 252 C CYS A 17 -4.913 -1.384 3.274 1.00 0.00 C ATOM 253 O CYS A 17 -5.448 -0.622 4.056 1.00 0.00 O ATOM 254 CB CYS A 17 -4.004 -0.871 0.985 1.00 0.00 C ATOM 255 SG CYS A 17 -4.757 0.735 0.629 1.00 0.00 S ATOM 0 H CYS A 17 -2.343 -2.434 1.696 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.353 -0.001 2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.097 -0.998 0.394 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.684 -1.674 0.702 1.00 0.00 H new ATOM 260 N LYS A 18 -5.370 -2.593 3.087 1.00 0.00 N ATOM 261 CA LYS A 18 -6.569 -3.060 3.842 1.00 0.00 C ATOM 262 C LYS A 18 -6.242 -3.150 5.334 1.00 0.00 C ATOM 263 O LYS A 18 -7.120 -3.155 6.174 1.00 0.00 O ATOM 264 CB LYS A 18 -6.884 -4.445 3.273 1.00 0.00 C ATOM 265 CG LYS A 18 -8.135 -5.007 3.953 1.00 0.00 C ATOM 266 CD LYS A 18 -8.333 -6.465 3.532 1.00 0.00 C ATOM 267 CE LYS A 18 -9.394 -6.540 2.432 1.00 0.00 C ATOM 268 NZ LYS A 18 -8.946 -7.645 1.539 1.00 0.00 N ATOM 0 H LYS A 18 -4.966 -3.276 2.446 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.416 -2.381 3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.041 -4.380 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.039 -5.115 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.034 -4.941 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.008 -4.416 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.392 -6.882 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.640 -7.064 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.380 -6.744 2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.466 -5.598 1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.624 -7.757 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.007 -7.420 1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.893 -8.530 2.082 1.00 0.00 H new ATOM 282 N GLU A 19 -4.982 -3.218 5.669 1.00 0.00 N ATOM 283 CA GLU A 19 -4.592 -3.305 7.105 1.00 0.00 C ATOM 284 C GLU A 19 -4.334 -1.903 7.667 1.00 0.00 C ATOM 285 O GLU A 19 -4.231 -1.714 8.862 1.00 0.00 O ATOM 286 CB GLU A 19 -3.308 -4.135 7.118 1.00 0.00 C ATOM 287 CG GLU A 19 -3.425 -5.239 8.171 1.00 0.00 C ATOM 288 CD GLU A 19 -2.132 -6.056 8.199 1.00 0.00 C ATOM 289 OE1 GLU A 19 -1.705 -6.487 7.141 1.00 0.00 O ATOM 290 OE2 GLU A 19 -1.592 -6.238 9.278 1.00 0.00 O ATOM 0 H GLU A 19 -4.205 -3.217 5.009 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.372 -3.755 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.135 -4.572 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.452 -3.497 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.613 -4.802 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.272 -5.886 7.942 1.00 0.00 H new ATOM 297 N ALA A 20 -4.227 -0.920 6.813 1.00 0.00 N ATOM 298 CA ALA A 20 -3.975 0.467 7.300 1.00 0.00 C ATOM 299 C ALA A 20 -5.266 1.292 7.252 1.00 0.00 C ATOM 300 O ALA A 20 -5.828 1.638 8.271 1.00 0.00 O ATOM 301 CB ALA A 20 -2.935 1.043 6.339 1.00 0.00 C ATOM 0 H ALA A 20 -4.303 -1.018 5.801 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.628 0.483 8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.696 2.065 6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.031 0.435 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.335 1.040 5.325 1.00 0.00 H new ATOM 307 N ILE A 21 -5.743 1.608 6.077 1.00 0.00 N ATOM 308 CA ILE A 21 -6.999 2.409 5.976 1.00 0.00 C ATOM 309 C ILE A 21 -8.220 1.490 6.058 1.00 0.00 C ATOM 310 O ILE A 21 -9.269 1.880 6.531 1.00 0.00 O ATOM 311 CB ILE A 21 -6.937 3.107 4.615 1.00 0.00 C ATOM 312 CG1 ILE A 21 -6.602 2.089 3.523 1.00 0.00 C ATOM 313 CG2 ILE A 21 -5.858 4.192 4.644 1.00 0.00 C ATOM 314 CD1 ILE A 21 -7.156 2.578 2.183 1.00 0.00 C ATOM 0 H ILE A 21 -5.320 1.348 5.186 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.088 3.130 6.789 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.906 3.559 4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.522 1.954 3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.029 1.118 3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.815 4.688 3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.098 4.923 5.416 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.891 3.738 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.918 1.853 1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.238 2.690 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.708 3.540 1.933 1.00 0.00 H new ATOM 326 N GLY A 22 -8.095 0.269 5.612 1.00 0.00 N ATOM 327 CA GLY A 22 -9.253 -0.668 5.680 1.00 0.00 C ATOM 328 C GLY A 22 -9.747 -0.997 4.268 1.00 0.00 C ATOM 329 O GLY A 22 -10.853 -1.464 4.084 1.00 0.00 O ATOM 0 H GLY A 22 -7.244 -0.119 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.960 -1.584 6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.059 -0.220 6.261 1.00 0.00 H new ATOM 333 N LYS A 23 -8.941 -0.759 3.270 1.00 0.00 N ATOM 334 CA LYS A 23 -9.375 -1.067 1.877 1.00 0.00 C ATOM 335 C LYS A 23 -8.168 -1.430 1.011 1.00 0.00 C ATOM 336 O LYS A 23 -7.231 -0.665 0.882 1.00 0.00 O ATOM 337 CB LYS A 23 -10.033 0.217 1.372 1.00 0.00 C ATOM 338 CG LYS A 23 -11.548 0.122 1.563 1.00 0.00 C ATOM 339 CD LYS A 23 -12.217 -0.173 0.219 1.00 0.00 C ATOM 340 CE LYS A 23 -13.284 -1.255 0.406 1.00 0.00 C ATOM 341 NZ LYS A 23 -12.677 -2.494 -0.153 1.00 0.00 N ATOM 0 H LYS A 23 -8.004 -0.366 3.358 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.057 -1.916 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.640 1.077 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.797 0.369 0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.786 -0.664 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.932 1.055 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.670 0.734 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.472 -0.503 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.539 -1.380 1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.205 -0.996 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.349 -3.282 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.451 -2.347 -1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.806 -2.720 0.368 1.00 0.00 H new ATOM 355 N ALA A 24 -8.181 -2.591 0.417 1.00 0.00 N ATOM 356 CA ALA A 24 -7.033 -3.004 -0.441 1.00 0.00 C ATOM 357 C ALA A 24 -7.158 -2.383 -1.835 1.00 0.00 C ATOM 358 O ALA A 24 -7.624 -3.011 -2.765 1.00 0.00 O ATOM 359 CB ALA A 24 -7.130 -4.528 -0.523 1.00 0.00 C ATOM 0 H ALA A 24 -8.937 -3.272 0.488 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.076 -2.676 -0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.317 -4.912 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.057 -4.952 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.085 -4.808 -0.967 1.00 0.00 H new ATOM 365 N ALA A 25 -6.745 -1.154 -1.989 1.00 0.00 N ATOM 366 CA ALA A 25 -6.839 -0.498 -3.325 1.00 0.00 C ATOM 367 C ALA A 25 -5.658 0.453 -3.529 1.00 0.00 C ATOM 368 O ALA A 25 -5.708 1.611 -3.159 1.00 0.00 O ATOM 369 CB ALA A 25 -8.155 0.278 -3.295 1.00 0.00 C ATOM 0 H ALA A 25 -6.347 -0.576 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.812 -1.219 -4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.297 0.790 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.981 -0.413 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.127 1.011 -2.489 1.00 0.00 H new ATOM 375 N GLY A 26 -4.594 -0.025 -4.116 1.00 0.00 N ATOM 376 CA GLY A 26 -3.412 0.853 -4.342 1.00 0.00 C ATOM 377 C GLY A 26 -2.232 0.013 -4.837 1.00 0.00 C ATOM 378 O GLY A 26 -2.405 -1.079 -5.340 1.00 0.00 O ATOM 0 H GLY A 26 -4.493 -0.984 -4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.654 1.624 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.144 1.364 -3.417 1.00 0.00 H new ATOM 382 N LYS A 27 -1.033 0.514 -4.695 1.00 0.00 N ATOM 383 CA LYS A 27 0.162 -0.254 -5.157 1.00 0.00 C ATOM 384 C LYS A 27 1.358 0.053 -4.254 1.00 0.00 C ATOM 385 O LYS A 27 1.209 0.573 -3.169 1.00 0.00 O ATOM 386 CB LYS A 27 0.435 0.242 -6.578 1.00 0.00 C ATOM 387 CG LYS A 27 -0.417 -0.547 -7.575 1.00 0.00 C ATOM 388 CD LYS A 27 -0.746 0.338 -8.779 1.00 0.00 C ATOM 389 CE LYS A 27 -1.848 1.328 -8.400 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.215 2.671 -8.527 1.00 0.00 N ATOM 0 H LYS A 27 -0.829 1.423 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.004 -1.331 -5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.207 1.305 -6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.492 0.126 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.118 -1.439 -7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.336 -0.885 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.145 0.876 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.069 -0.278 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.709 1.233 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.204 1.153 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.948 3.383 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.727 2.910 -7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.528 2.659 -9.308 1.00 0.00 H new ATOM 404 N CYS A 28 2.548 -0.258 -4.690 1.00 0.00 N ATOM 405 CA CYS A 28 3.736 0.031 -3.839 1.00 0.00 C ATOM 406 C CYS A 28 4.888 0.574 -4.686 1.00 0.00 C ATOM 407 O CYS A 28 5.280 -0.013 -5.676 1.00 0.00 O ATOM 408 CB CYS A 28 4.115 -1.307 -3.210 1.00 0.00 C ATOM 409 SG CYS A 28 4.580 -1.040 -1.481 1.00 0.00 S ATOM 0 H CYS A 28 2.748 -0.695 -5.590 1.00 0.00 H new ATOM 0 HA CYS A 28 3.520 0.788 -3.085 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.277 -2.002 -3.271 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.943 -1.758 -3.757 1.00 0.00 H new ATOM 414 N MET A 29 5.434 1.693 -4.298 1.00 0.00 N ATOM 415 CA MET A 29 6.566 2.285 -5.067 1.00 0.00 C ATOM 416 C MET A 29 7.580 2.898 -4.100 1.00 0.00 C ATOM 417 O MET A 29 7.300 3.083 -2.932 1.00 0.00 O ATOM 418 CB MET A 29 5.931 3.368 -5.938 1.00 0.00 C ATOM 419 CG MET A 29 6.923 3.796 -7.022 1.00 0.00 C ATOM 420 SD MET A 29 6.029 4.610 -8.369 1.00 0.00 S ATOM 421 CE MET A 29 5.095 3.162 -8.922 1.00 0.00 C ATOM 0 H MET A 29 5.144 2.226 -3.478 1.00 0.00 H new ATOM 0 HA MET A 29 7.097 1.546 -5.667 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.016 2.992 -6.395 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.652 4.226 -5.326 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.667 4.474 -6.603 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.461 2.927 -7.401 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.053 3.150 -10.011 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.586 2.255 -8.568 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.083 3.207 -8.521 1.00 0.00 H new ATOM 431 N ASN A 30 8.754 3.213 -4.570 1.00 0.00 N ATOM 432 CA ASN A 30 9.774 3.810 -3.664 1.00 0.00 C ATOM 433 C ASN A 30 9.883 2.979 -2.383 1.00 0.00 C ATOM 434 O ASN A 30 10.314 3.461 -1.354 1.00 0.00 O ATOM 435 CB ASN A 30 9.246 5.209 -3.344 1.00 0.00 C ATOM 436 CG ASN A 30 9.988 6.246 -4.190 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.174 6.121 -4.422 1.00 0.00 O ATOM 438 ND2 ASN A 30 9.334 7.272 -4.661 1.00 0.00 N ATOM 0 H ASN A 30 9.051 3.084 -5.537 1.00 0.00 H new ATOM 0 HA ASN A 30 10.765 3.840 -4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.176 5.259 -3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.381 5.426 -2.284 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.818 7.970 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.338 7.376 -4.465 1.00 0.00 H new ATOM 445 N GLY A 31 9.490 1.735 -2.438 1.00 0.00 N ATOM 446 CA GLY A 31 9.563 0.875 -1.223 1.00 0.00 C ATOM 447 C GLY A 31 8.460 1.284 -0.245 1.00 0.00 C ATOM 448 O GLY A 31 8.636 1.247 0.956 1.00 0.00 O ATOM 0 H GLY A 31 9.122 1.278 -3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.450 -0.173 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.540 0.976 -0.750 1.00 0.00 H new ATOM 452 N LYS A 32 7.323 1.679 -0.752 1.00 0.00 N ATOM 453 CA LYS A 32 6.210 2.094 0.151 1.00 0.00 C ATOM 454 C LYS A 32 4.854 1.760 -0.483 1.00 0.00 C ATOM 455 O LYS A 32 4.693 1.798 -1.686 1.00 0.00 O ATOM 456 CB LYS A 32 6.380 3.606 0.306 1.00 0.00 C ATOM 457 CG LYS A 32 7.749 3.900 0.924 1.00 0.00 C ATOM 458 CD LYS A 32 7.877 5.399 1.206 1.00 0.00 C ATOM 459 CE LYS A 32 9.072 5.644 2.130 1.00 0.00 C ATOM 460 NZ LYS A 32 10.235 5.824 1.217 1.00 0.00 N ATOM 0 H LYS A 32 7.117 1.732 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 32 6.238 1.578 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.294 4.095 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.589 4.010 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.870 3.335 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.541 3.579 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.008 5.946 0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.963 5.772 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.917 6.527 2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.227 4.803 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.093 5.997 1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.363 4.965 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.062 6.636 0.590 1.00 0.00 H new ATOM 474 N CYS A 33 3.880 1.429 0.324 1.00 0.00 N ATOM 475 CA CYS A 33 2.533 1.084 -0.220 1.00 0.00 C ATOM 476 C CYS A 33 1.720 2.360 -0.474 1.00 0.00 C ATOM 477 O CYS A 33 1.739 3.290 0.310 1.00 0.00 O ATOM 478 CB CYS A 33 1.893 0.219 0.876 1.00 0.00 C ATOM 479 SG CYS A 33 0.083 0.253 0.751 1.00 0.00 S ATOM 0 H CYS A 33 3.960 1.383 1.340 1.00 0.00 H new ATOM 0 HA CYS A 33 2.580 0.561 -1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.249 -0.808 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.201 0.581 1.857 1.00 0.00 H new ATOM 484 N LYS A 34 1.001 2.404 -1.566 1.00 0.00 N ATOM 485 CA LYS A 34 0.180 3.609 -1.879 1.00 0.00 C ATOM 486 C LYS A 34 -1.304 3.242 -1.872 1.00 0.00 C ATOM 487 O LYS A 34 -1.673 2.127 -2.182 1.00 0.00 O ATOM 488 CB LYS A 34 0.614 4.030 -3.283 1.00 0.00 C ATOM 489 CG LYS A 34 2.139 4.118 -3.349 1.00 0.00 C ATOM 490 CD LYS A 34 2.636 3.396 -4.605 1.00 0.00 C ATOM 491 CE LYS A 34 2.672 4.378 -5.779 1.00 0.00 C ATOM 492 NZ LYS A 34 1.656 3.865 -6.740 1.00 0.00 N ATOM 0 H LYS A 34 0.948 1.654 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 34 0.321 4.408 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.250 3.311 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.174 4.994 -3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.454 5.161 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.579 3.668 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.630 2.984 -4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.980 2.557 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.433 5.391 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.662 4.415 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.621 4.486 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.914 2.902 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.722 3.848 -6.282 1.00 0.00 H new ATOM 506 N CYS A 35 -2.158 4.166 -1.523 1.00 0.00 N ATOM 507 CA CYS A 35 -3.618 3.861 -1.498 1.00 0.00 C ATOM 508 C CYS A 35 -4.427 5.063 -1.992 1.00 0.00 C ATOM 509 O CYS A 35 -4.051 6.201 -1.797 1.00 0.00 O ATOM 510 CB CYS A 35 -3.935 3.570 -0.032 1.00 0.00 C ATOM 511 SG CYS A 35 -3.187 1.993 0.448 1.00 0.00 S ATOM 0 H CYS A 35 -1.909 5.118 -1.254 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.872 3.024 -2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.554 4.372 0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.014 3.533 0.117 1.00 0.00 H new ATOM 516 N TYR A 36 -5.542 4.818 -2.628 1.00 0.00 N ATOM 517 CA TYR A 36 -6.382 5.945 -3.131 1.00 0.00 C ATOM 518 C TYR A 36 -7.800 5.844 -2.550 1.00 0.00 C ATOM 519 O TYR A 36 -8.583 5.023 -2.984 1.00 0.00 O ATOM 520 CB TYR A 36 -6.414 5.769 -4.652 1.00 0.00 C ATOM 521 CG TYR A 36 -5.027 5.968 -5.219 1.00 0.00 C ATOM 522 CD1 TYR A 36 -4.185 6.954 -4.687 1.00 0.00 C ATOM 523 CD2 TYR A 36 -4.582 5.167 -6.278 1.00 0.00 C ATOM 524 CE1 TYR A 36 -2.902 7.137 -5.213 1.00 0.00 C ATOM 525 CE2 TYR A 36 -3.298 5.352 -6.805 1.00 0.00 C ATOM 526 CZ TYR A 36 -2.457 6.337 -6.273 1.00 0.00 C ATOM 527 OH TYR A 36 -1.192 6.519 -6.791 1.00 0.00 O ATOM 0 H TYR A 36 -5.908 3.886 -2.821 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.985 6.918 -2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.781 4.774 -4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.105 6.486 -5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.527 7.573 -3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.229 4.406 -6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.254 7.896 -4.801 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.956 4.734 -7.622 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.042 5.881 -7.520 1.00 0.00 H new ATOM 537 N PRO A 37 -8.091 6.680 -1.579 1.00 0.00 N ATOM 538 CA PRO A 37 -9.428 6.667 -0.940 1.00 0.00 C ATOM 539 C PRO A 37 -10.519 6.992 -1.966 1.00 0.00 C ATOM 540 O PRO A 37 -11.405 6.171 -2.137 1.00 0.00 O ATOM 541 CB PRO A 37 -9.311 7.776 0.110 1.00 0.00 C ATOM 542 CG PRO A 37 -7.899 8.387 0.032 1.00 0.00 C ATOM 543 CD PRO A 37 -7.112 7.671 -1.074 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.449 8.056 -2.559 1.00 0.00 O ATOM 0 HA PRO A 37 -9.701 5.701 -0.515 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.065 8.544 -0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.493 7.373 1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.961 9.455 -0.179 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.388 8.280 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.793 8.360 -1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.213 7.191 -0.686 1.00 0.00 H new TER 552 PRO A 37