USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 274 hydrogens (24 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 ASP N :NH3+ -167:sc= -0.0132 (180deg=-0.258) USER MOD Single : A 3 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.2!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.43 K(o=-0.43,f=-3.3!) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 12 ASN : amide:sc= -2.71 K(o=-2.7,f=-4.8!) USER MOD Single : A 19 GLN : amide:sc= -2.09 K(o=-2.1,f=-9.9!) USER MOD Single : A 24 GLN : amide:sc= -0.0859 K(o=-0.086,f=-1.7!) USER MOD Single : A 28 MET CE :methyl 140:sc= -1.66 (180deg=-4.28!) USER MOD Single : A 31 TYR OH : rot 49:sc= 0.0407 USER MOD Single : A 35 TYR OH : rot 34:sc= 1.38 USER MOD Single : A 39 FUC O2 : rot 33:sc= 0.0174 USER MOD Single : A 39 FUC O4 : rot 22:sc= 0.0359 USER MOD Single : A 40 NAG O3 : rot 180:sc= 0 USER MOD Single : A 40 NAG O4 : rot 160:sc= 0 USER MOD Single : A 40 NAG O6 : rot -34:sc= 0.0294 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.526 6.682 -6.860 1.00 0.00 N ATOM 2 CA ASP A 1 -6.644 5.258 -6.565 1.00 0.00 C ATOM 3 C ASP A 1 -7.252 5.037 -5.184 1.00 0.00 C ATOM 4 O ASP A 1 -7.939 4.043 -4.948 1.00 0.00 O ATOM 5 CB ASP A 1 -5.273 4.583 -6.649 1.00 0.00 C ATOM 6 CG ASP A 1 -5.023 3.950 -8.004 1.00 0.00 C ATOM 7 OD1 ASP A 1 -5.742 2.989 -8.352 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.109 4.415 -8.717 1.00 0.00 O ATOM 0 H1 ASP A 1 -6.322 6.811 -7.871 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.418 7.161 -6.623 1.00 0.00 H new ATOM 0 H3 ASP A 1 -5.754 7.091 -6.296 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.306 4.812 -7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -4.495 5.319 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -5.199 3.819 -5.875 1.00 0.00 H new ATOM 13 N VAL A 2 -6.995 5.970 -4.272 1.00 0.00 N ATOM 14 CA VAL A 2 -7.518 5.877 -2.914 1.00 0.00 C ATOM 15 C VAL A 2 -6.939 4.671 -2.184 1.00 0.00 C ATOM 16 O VAL A 2 -6.457 3.727 -2.810 1.00 0.00 O ATOM 17 CB VAL A 2 -9.055 5.777 -2.909 1.00 0.00 C ATOM 18 CG1 VAL A 2 -9.594 5.897 -1.493 1.00 0.00 C ATOM 19 CG2 VAL A 2 -9.662 6.841 -3.812 1.00 0.00 C ATOM 0 H VAL A 2 -6.428 6.799 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.220 6.789 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.339 4.799 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.681 5.824 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.186 5.094 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.302 6.859 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.748 6.755 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.371 7.829 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.302 6.702 -4.831 1.00 0.00 H new ATOM 29 N ASN A 3 -6.989 4.708 -0.857 1.00 0.00 N ATOM 30 CA ASN A 3 -6.470 3.617 -0.040 1.00 0.00 C ATOM 31 C ASN A 3 -4.968 3.447 -0.254 1.00 0.00 C ATOM 32 O ASN A 3 -4.534 2.868 -1.249 1.00 0.00 O ATOM 33 CB ASN A 3 -7.199 2.311 -0.370 1.00 0.00 C ATOM 34 CG ASN A 3 -7.942 1.747 0.824 1.00 0.00 C ATOM 35 OD1 ASN A 3 -7.546 1.954 1.972 1.00 0.00 O ATOM 36 ND2 ASN A 3 -9.025 1.027 0.559 1.00 0.00 N ATOM 0 H ASN A 3 -7.384 5.482 -0.324 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.644 3.864 1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.903 2.487 -1.183 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -6.478 1.575 -0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.566 0.620 1.322 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.317 0.881 -0.408 1.00 0.00 H new ATOM 43 N GLU A 4 -4.181 3.956 0.689 1.00 0.00 N ATOM 44 CA GLU A 4 -2.728 3.860 0.603 1.00 0.00 C ATOM 45 C GLU A 4 -2.189 2.845 1.606 1.00 0.00 C ATOM 46 O GLU A 4 -1.771 1.750 1.231 1.00 0.00 O ATOM 47 CB GLU A 4 -2.093 5.233 0.845 1.00 0.00 C ATOM 48 CG GLU A 4 -0.755 5.416 0.149 1.00 0.00 C ATOM 49 CD GLU A 4 0.397 5.560 1.126 1.00 0.00 C ATOM 50 OE1 GLU A 4 0.755 4.554 1.774 1.00 0.00 O ATOM 51 OE2 GLU A 4 0.940 6.679 1.243 1.00 0.00 O ATOM 0 H GLU A 4 -4.524 4.438 1.520 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.466 3.520 -0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.780 6.007 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.958 5.378 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.569 4.562 -0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.799 6.300 -0.488 1.00 0.00 H new ATOM 58 N CYS A 5 -2.203 3.215 2.880 1.00 0.00 N ATOM 59 CA CYS A 5 -1.718 2.336 3.938 1.00 0.00 C ATOM 60 C CYS A 5 -2.459 2.601 5.247 1.00 0.00 C ATOM 61 O CYS A 5 -1.893 3.148 6.193 1.00 0.00 O ATOM 62 CB CYS A 5 -0.214 2.526 4.138 1.00 0.00 C ATOM 63 SG CYS A 5 0.689 0.983 4.492 1.00 0.00 S ATOM 0 H CYS A 5 -2.545 4.119 3.207 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.908 1.306 3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.206 2.983 3.242 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.053 3.225 4.958 1.00 0.00 H new ATOM 68 N ILE A 6 -3.728 2.208 5.292 1.00 0.00 N ATOM 69 CA ILE A 6 -4.543 2.403 6.483 1.00 0.00 C ATOM 70 C ILE A 6 -4.630 1.119 7.304 1.00 0.00 C ATOM 71 O ILE A 6 -3.956 0.976 8.324 1.00 0.00 O ATOM 72 CB ILE A 6 -5.964 2.883 6.119 1.00 0.00 C ATOM 73 CG1 ILE A 6 -5.911 4.284 5.507 1.00 0.00 C ATOM 74 CG2 ILE A 6 -6.871 2.877 7.345 1.00 0.00 C ATOM 75 CD1 ILE A 6 -5.159 4.343 4.195 1.00 0.00 C ATOM 0 H ILE A 6 -4.212 1.753 4.518 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.058 3.174 7.082 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.378 2.193 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.929 4.642 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.440 4.964 6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.867 3.219 7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.935 1.865 7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.461 3.542 8.105 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.162 5.366 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.131 4.016 4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.642 3.689 3.469 1.00 0.00 H new ATOM 87 N SER A 7 -5.465 0.191 6.853 1.00 0.00 N ATOM 88 CA SER A 7 -5.642 -1.080 7.545 1.00 0.00 C ATOM 89 C SER A 7 -4.716 -2.149 6.974 1.00 0.00 C ATOM 90 O SER A 7 -5.164 -3.217 6.555 1.00 0.00 O ATOM 91 CB SER A 7 -7.098 -1.540 7.443 1.00 0.00 C ATOM 92 OG SER A 7 -7.456 -2.351 8.549 1.00 0.00 O ATOM 0 H SER A 7 -6.031 0.295 6.011 1.00 0.00 H new ATOM 0 HA SER A 7 -5.387 -0.931 8.594 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.755 -0.671 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 7 -7.242 -2.097 6.518 1.00 0.00 H new ATOM 0 HG SER A 7 -8.391 -2.630 8.461 1.00 0.00 H new ATOM 98 N ASN A 8 -3.419 -1.856 6.960 1.00 0.00 N ATOM 99 CA ASN A 8 -2.426 -2.792 6.442 1.00 0.00 C ATOM 100 C ASN A 8 -2.790 -3.251 5.030 1.00 0.00 C ATOM 101 O ASN A 8 -3.533 -4.217 4.857 1.00 0.00 O ATOM 102 CB ASN A 8 -2.311 -4.002 7.372 1.00 0.00 C ATOM 103 CG ASN A 8 -1.283 -5.002 6.901 1.00 0.00 C ATOM 104 OD1 ASN A 8 -0.634 -4.812 5.872 1.00 0.00 O ATOM 105 ND2 ASN A 8 -1.132 -6.077 7.657 1.00 0.00 N ATOM 0 H ASN A 8 -3.031 -0.977 7.302 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.465 -2.280 6.398 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.049 -3.662 8.374 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.282 -4.492 7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.454 -6.793 7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.693 -6.190 8.501 1.00 0.00 H new ATOM 112 N PRO A 9 -2.269 -2.564 3.997 1.00 0.00 N ATOM 113 CA PRO A 9 -2.546 -2.912 2.599 1.00 0.00 C ATOM 114 C PRO A 9 -2.015 -4.293 2.232 1.00 0.00 C ATOM 115 O PRO A 9 -2.714 -5.091 1.609 1.00 0.00 O ATOM 116 CB PRO A 9 -1.816 -1.830 1.798 1.00 0.00 C ATOM 117 CG PRO A 9 -0.791 -1.282 2.729 1.00 0.00 C ATOM 118 CD PRO A 9 -1.374 -1.400 4.108 1.00 0.00 C ATOM 0 HA PRO A 9 -3.617 -2.952 2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.353 -2.247 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.505 -1.052 1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.143 -1.839 2.652 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.563 -0.243 2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.601 -1.557 4.860 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.918 -0.500 4.393 1.00 0.00 H new ATOM 126 N CYS A 10 -0.775 -4.568 2.624 1.00 0.00 N ATOM 127 CA CYS A 10 -0.156 -5.855 2.333 1.00 0.00 C ATOM 128 C CYS A 10 -0.961 -6.991 2.955 1.00 0.00 C ATOM 129 O CYS A 10 -1.770 -6.769 3.856 1.00 0.00 O ATOM 130 CB CYS A 10 1.284 -5.889 2.849 1.00 0.00 C ATOM 131 SG CYS A 10 2.248 -4.388 2.477 1.00 0.00 S ATOM 0 H CYS A 10 -0.182 -3.920 3.142 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.143 -5.988 1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.268 -6.038 3.929 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.793 -6.750 2.416 1.00 0.00 H new ATOM 136 N GLN A 11 -0.742 -8.206 2.465 1.00 0.00 N ATOM 137 CA GLN A 11 -1.457 -9.370 2.970 1.00 0.00 C ATOM 138 C GLN A 11 -0.495 -10.511 3.294 1.00 0.00 C ATOM 139 O GLN A 11 -0.863 -11.684 3.217 1.00 0.00 O ATOM 140 CB GLN A 11 -2.490 -9.833 1.943 1.00 0.00 C ATOM 141 CG GLN A 11 -3.904 -9.371 2.250 1.00 0.00 C ATOM 142 CD GLN A 11 -4.695 -10.395 3.040 1.00 0.00 C ATOM 143 OE1 GLN A 11 -4.049 -11.016 4.020 1.00 0.00 O flip ATOM 144 NE2 GLN A 11 -5.875 -10.626 2.773 1.00 0.00 N flip ATOM 0 H GLN A 11 -0.076 -8.409 1.720 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.965 -9.084 3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.202 -9.464 0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.476 -10.922 1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.863 -8.438 2.811 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.423 -9.159 1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.333 -10.126 2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.394 -11.318 3.314 1.00 0.00 H new ATOM 153 N ASN A 12 0.736 -10.165 3.656 1.00 0.00 N ATOM 154 CA ASN A 12 1.739 -11.171 3.987 1.00 0.00 C ATOM 155 C ASN A 12 2.728 -10.654 5.033 1.00 0.00 C ATOM 156 O ASN A 12 3.817 -11.208 5.192 1.00 0.00 O ATOM 157 CB ASN A 12 2.488 -11.601 2.726 1.00 0.00 C ATOM 158 CG ASN A 12 1.886 -12.829 2.088 1.00 0.00 C ATOM 159 OD1 ASN A 12 0.984 -13.458 2.642 1.00 0.00 O ATOM 160 ND2 ASN A 12 2.386 -13.177 0.913 1.00 0.00 N ATOM 0 H ASN A 12 1.062 -9.201 3.727 1.00 0.00 H new ATOM 0 HA ASN A 12 1.221 -12.031 4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.483 -10.782 2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.530 -11.799 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.024 -13.998 0.428 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.133 -12.624 0.493 1.00 0.00 H new ATOM 167 N ASP A 13 2.348 -9.595 5.744 1.00 0.00 N ATOM 168 CA ASP A 13 3.206 -9.011 6.772 1.00 0.00 C ATOM 169 C ASP A 13 4.382 -8.284 6.134 1.00 0.00 C ATOM 170 O ASP A 13 5.538 -8.499 6.499 1.00 0.00 O ATOM 171 CB ASP A 13 3.712 -10.094 7.730 1.00 0.00 C ATOM 172 CG ASP A 13 4.005 -9.548 9.114 1.00 0.00 C ATOM 173 OD1 ASP A 13 3.151 -8.814 9.655 1.00 0.00 O ATOM 174 OD2 ASP A 13 5.087 -9.856 9.658 1.00 0.00 O ATOM 0 H ASP A 13 1.451 -9.124 5.627 1.00 0.00 H new ATOM 0 HA ASP A 13 2.617 -8.292 7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.967 -10.886 7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.616 -10.544 7.321 1.00 0.00 H new ATOM 179 N ALA A 14 4.073 -7.422 5.174 1.00 0.00 N ATOM 180 CA ALA A 14 5.091 -6.658 4.471 1.00 0.00 C ATOM 181 C ALA A 14 5.363 -5.330 5.169 1.00 0.00 C ATOM 182 O ALA A 14 4.651 -4.949 6.100 1.00 0.00 O ATOM 183 CB ALA A 14 4.658 -6.428 3.032 1.00 0.00 C ATOM 0 H ALA A 14 3.119 -7.235 4.864 1.00 0.00 H new ATOM 0 HA ALA A 14 6.019 -7.230 4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.424 -5.855 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.521 -7.389 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.719 -5.875 3.019 1.00 0.00 H new ATOM 189 N THR A 15 6.395 -4.627 4.714 1.00 0.00 N ATOM 190 CA THR A 15 6.759 -3.340 5.296 1.00 0.00 C ATOM 191 C THR A 15 6.131 -2.192 4.510 1.00 0.00 C ATOM 192 O THR A 15 6.132 -2.197 3.279 1.00 0.00 O ATOM 193 CB THR A 15 8.282 -3.181 5.330 1.00 0.00 C ATOM 194 OG1 THR A 15 8.877 -4.197 6.117 1.00 0.00 O ATOM 195 CG2 THR A 15 8.734 -1.848 5.887 1.00 0.00 C ATOM 0 H THR A 15 6.994 -4.927 3.944 1.00 0.00 H new ATOM 0 HA THR A 15 6.377 -3.310 6.317 1.00 0.00 H new ATOM 0 HB THR A 15 8.600 -3.250 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.823 -1.802 5.882 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.334 -1.042 5.271 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.371 -1.739 6.909 1.00 0.00 H new ATOM 202 N CYS A 16 5.596 -1.211 5.230 1.00 0.00 N ATOM 203 CA CYS A 16 4.965 -0.056 4.600 1.00 0.00 C ATOM 204 C CYS A 16 5.760 1.216 4.876 1.00 0.00 C ATOM 205 O CYS A 16 5.927 1.618 6.028 1.00 0.00 O ATOM 206 CB CYS A 16 3.529 0.106 5.103 1.00 0.00 C ATOM 207 SG CYS A 16 2.642 1.525 4.382 1.00 0.00 S ATOM 0 H CYS A 16 5.587 -1.193 6.250 1.00 0.00 H new ATOM 0 HA CYS A 16 4.948 -0.226 3.523 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.974 -0.806 4.883 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.546 0.215 6.187 1.00 0.00 H new ATOM 212 N LEU A 17 6.249 1.846 3.813 1.00 0.00 N ATOM 213 CA LEU A 17 7.025 3.074 3.941 1.00 0.00 C ATOM 214 C LEU A 17 6.240 4.272 3.415 1.00 0.00 C ATOM 215 O LEU A 17 5.661 4.219 2.330 1.00 0.00 O ATOM 216 CB LEU A 17 8.353 2.942 3.188 1.00 0.00 C ATOM 217 CG LEU A 17 9.599 3.263 4.014 1.00 0.00 C ATOM 218 CD1 LEU A 17 10.846 2.723 3.330 1.00 0.00 C ATOM 219 CD2 LEU A 17 9.718 4.763 4.237 1.00 0.00 C ATOM 0 H LEU A 17 6.122 1.526 2.853 1.00 0.00 H new ATOM 0 HA LEU A 17 7.231 3.238 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.439 1.923 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.329 3.603 2.322 1.00 0.00 H new ATOM 0 HG LEU A 17 9.503 2.778 4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.723 2.961 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.762 1.642 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.947 3.179 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.610 4.974 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.791 5.269 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.838 5.123 4.770 1.00 0.00 H new ATOM 231 N ASP A 18 6.223 5.350 4.192 1.00 0.00 N ATOM 232 CA ASP A 18 5.508 6.561 3.805 1.00 0.00 C ATOM 233 C ASP A 18 6.062 7.127 2.500 1.00 0.00 C ATOM 234 O ASP A 18 7.250 7.432 2.400 1.00 0.00 O ATOM 235 CB ASP A 18 5.604 7.612 4.913 1.00 0.00 C ATOM 236 CG ASP A 18 4.564 8.705 4.764 1.00 0.00 C ATOM 237 OD1 ASP A 18 4.135 8.966 3.620 1.00 0.00 O ATOM 238 OD2 ASP A 18 4.179 9.301 5.792 1.00 0.00 O ATOM 0 H ASP A 18 6.696 5.410 5.094 1.00 0.00 H new ATOM 0 HA ASP A 18 4.461 6.301 3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.482 7.127 5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.599 8.057 4.903 1.00 0.00 H new ATOM 243 N GLN A 19 5.192 7.264 1.504 1.00 0.00 N ATOM 244 CA GLN A 19 5.595 7.793 0.207 1.00 0.00 C ATOM 245 C GLN A 19 5.049 9.204 0.003 1.00 0.00 C ATOM 246 O GLN A 19 4.600 9.849 0.951 1.00 0.00 O ATOM 247 CB GLN A 19 5.108 6.871 -0.916 1.00 0.00 C ATOM 248 CG GLN A 19 6.231 6.326 -1.783 1.00 0.00 C ATOM 249 CD GLN A 19 6.410 7.111 -3.068 1.00 0.00 C ATOM 250 OE1 GLN A 19 5.576 7.045 -3.971 1.00 0.00 O ATOM 251 NE2 GLN A 19 7.504 7.859 -3.157 1.00 0.00 N ATOM 0 H GLN A 19 4.205 7.016 1.571 1.00 0.00 H new ATOM 0 HA GLN A 19 6.684 7.839 0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.560 6.037 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.406 7.418 -1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.163 6.344 -1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.025 5.283 -2.024 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.169 7.884 -2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.679 8.408 -3.998 1.00 0.00 H new ATOM 260 N ILE A 20 5.095 9.681 -1.238 1.00 0.00 N ATOM 261 CA ILE A 20 4.612 11.012 -1.565 1.00 0.00 C ATOM 262 C ILE A 20 3.163 10.983 -2.043 1.00 0.00 C ATOM 263 O ILE A 20 2.719 11.881 -2.756 1.00 0.00 O ATOM 264 CB ILE A 20 5.482 11.662 -2.653 1.00 0.00 C ATOM 265 CG1 ILE A 20 5.674 10.702 -3.831 1.00 0.00 C ATOM 266 CG2 ILE A 20 6.826 12.084 -2.078 1.00 0.00 C ATOM 267 CD1 ILE A 20 5.436 11.347 -5.179 1.00 0.00 C ATOM 0 H ILE A 20 5.464 9.160 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 20 4.671 11.601 -0.650 1.00 0.00 H new ATOM 0 HB ILE A 20 4.971 12.553 -3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.688 10.302 -3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.995 9.857 -3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.429 12.542 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.668 12.803 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.345 11.209 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.589 10.610 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.414 11.723 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.133 12.174 -5.315 1.00 0.00 H new ATOM 279 N GLY A 21 2.427 9.947 -1.648 1.00 0.00 N ATOM 280 CA GLY A 21 1.037 9.832 -2.052 1.00 0.00 C ATOM 281 C GLY A 21 0.573 8.392 -2.146 1.00 0.00 C ATOM 282 O GLY A 21 -0.563 8.076 -1.794 1.00 0.00 O ATOM 0 H GLY A 21 2.767 9.188 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.410 10.366 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.903 10.317 -3.019 1.00 0.00 H new ATOM 286 N GLU A 22 1.453 7.517 -2.623 1.00 0.00 N ATOM 287 CA GLU A 22 1.123 6.104 -2.763 1.00 0.00 C ATOM 288 C GLU A 22 1.696 5.294 -1.604 1.00 0.00 C ATOM 289 O GLU A 22 2.381 5.834 -0.736 1.00 0.00 O ATOM 290 CB GLU A 22 1.655 5.561 -4.090 1.00 0.00 C ATOM 291 CG GLU A 22 3.122 5.877 -4.333 1.00 0.00 C ATOM 292 CD GLU A 22 3.761 4.942 -5.341 1.00 0.00 C ATOM 293 OE1 GLU A 22 3.560 3.715 -5.222 1.00 0.00 O ATOM 294 OE2 GLU A 22 4.460 5.436 -6.250 1.00 0.00 O ATOM 0 H GLU A 22 2.398 7.762 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 22 0.037 6.009 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.516 4.480 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.063 5.975 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.215 6.904 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.664 5.814 -3.390 1.00 0.00 H new ATOM 301 N PHE A 23 1.410 3.997 -1.598 1.00 0.00 N ATOM 302 CA PHE A 23 1.896 3.112 -0.547 1.00 0.00 C ATOM 303 C PHE A 23 3.088 2.292 -1.030 1.00 0.00 C ATOM 304 O PHE A 23 3.170 1.931 -2.205 1.00 0.00 O ATOM 305 CB PHE A 23 0.776 2.185 -0.077 1.00 0.00 C ATOM 306 CG PHE A 23 0.319 1.223 -1.132 1.00 0.00 C ATOM 307 CD1 PHE A 23 0.980 0.022 -1.324 1.00 0.00 C ATOM 308 CD2 PHE A 23 -0.770 1.523 -1.933 1.00 0.00 C ATOM 309 CE1 PHE A 23 0.562 -0.866 -2.297 1.00 0.00 C ATOM 310 CE2 PHE A 23 -1.194 0.640 -2.907 1.00 0.00 C ATOM 311 CZ PHE A 23 -0.526 -0.557 -3.089 1.00 0.00 C ATOM 0 H PHE A 23 0.844 3.535 -2.310 1.00 0.00 H new ATOM 0 HA PHE A 23 2.223 3.728 0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.119 1.624 0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.072 2.787 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.832 -0.224 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.294 2.457 -1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.086 -1.800 -2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.045 0.884 -3.525 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.855 -1.249 -3.850 1.00 0.00 H new ATOM 321 N GLN A 24 4.011 2.004 -0.120 1.00 0.00 N ATOM 322 CA GLN A 24 5.199 1.228 -0.455 1.00 0.00 C ATOM 323 C GLN A 24 5.227 -0.089 0.315 1.00 0.00 C ATOM 324 O GLN A 24 5.737 -0.155 1.434 1.00 0.00 O ATOM 325 CB GLN A 24 6.463 2.034 -0.152 1.00 0.00 C ATOM 326 CG GLN A 24 7.747 1.323 -0.545 1.00 0.00 C ATOM 327 CD GLN A 24 8.917 2.275 -0.703 1.00 0.00 C ATOM 328 OE1 GLN A 24 8.734 3.460 -0.982 1.00 0.00 O ATOM 329 NE2 GLN A 24 10.127 1.761 -0.525 1.00 0.00 N ATOM 0 H GLN A 24 3.960 2.296 0.856 1.00 0.00 H new ATOM 0 HA GLN A 24 5.165 1.004 -1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.410 2.988 -0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.494 2.259 0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.990 0.577 0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.590 0.788 -1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.233 0.773 -0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.952 2.354 -0.618 1.00 0.00 H new ATOM 338 N CYS A 25 4.678 -1.135 -0.293 1.00 0.00 N ATOM 339 CA CYS A 25 4.642 -2.452 0.334 1.00 0.00 C ATOM 340 C CYS A 25 5.875 -3.266 -0.044 1.00 0.00 C ATOM 341 O CYS A 25 6.057 -3.632 -1.205 1.00 0.00 O ATOM 342 CB CYS A 25 3.375 -3.202 -0.080 1.00 0.00 C ATOM 343 SG CYS A 25 3.173 -4.825 0.724 1.00 0.00 S ATOM 0 H CYS A 25 4.252 -1.097 -1.219 1.00 0.00 H new ATOM 0 HA CYS A 25 4.637 -2.313 1.415 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.508 -2.584 0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.386 -3.343 -1.161 1.00 0.00 H new ATOM 348 N ILE A 26 6.720 -3.543 0.942 1.00 0.00 N ATOM 349 CA ILE A 26 7.937 -4.313 0.711 1.00 0.00 C ATOM 350 C ILE A 26 7.682 -5.805 0.893 1.00 0.00 C ATOM 351 O ILE A 26 7.297 -6.252 1.973 1.00 0.00 O ATOM 352 CB ILE A 26 9.070 -3.880 1.662 1.00 0.00 C ATOM 353 CG1 ILE A 26 9.160 -2.353 1.725 1.00 0.00 C ATOM 354 CG2 ILE A 26 10.395 -4.475 1.212 1.00 0.00 C ATOM 355 CD1 ILE A 26 10.203 -1.848 2.698 1.00 0.00 C ATOM 0 H ILE A 26 6.585 -3.246 1.909 1.00 0.00 H new ATOM 0 HA ILE A 26 8.243 -4.118 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 26 8.846 -4.253 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.387 -1.969 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.187 -1.951 2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.185 -4.160 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.325 -5.563 1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.626 -4.129 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.211 -0.758 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.966 -2.202 3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.185 -2.220 2.405 1.00 0.00 H new ATOM 367 N CYS A 27 7.897 -6.569 -0.173 1.00 0.00 N ATOM 368 CA CYS A 27 7.688 -8.012 -0.135 1.00 0.00 C ATOM 369 C CYS A 27 8.973 -8.742 0.244 1.00 0.00 C ATOM 370 O CYS A 27 10.038 -8.135 0.345 1.00 0.00 O ATOM 371 CB CYS A 27 7.182 -8.509 -1.491 1.00 0.00 C ATOM 372 SG CYS A 27 5.460 -9.101 -1.472 1.00 0.00 S ATOM 0 H CYS A 27 8.216 -6.213 -1.074 1.00 0.00 H new ATOM 0 HA CYS A 27 6.937 -8.225 0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.269 -7.701 -2.217 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.829 -9.317 -1.834 1.00 0.00 H new ATOM 377 N MET A 28 8.860 -10.049 0.453 1.00 0.00 N ATOM 378 CA MET A 28 10.009 -10.868 0.820 1.00 0.00 C ATOM 379 C MET A 28 10.944 -11.058 -0.375 1.00 0.00 C ATOM 380 O MET A 28 10.614 -10.672 -1.496 1.00 0.00 O ATOM 381 CB MET A 28 9.539 -12.229 1.343 1.00 0.00 C ATOM 382 CG MET A 28 9.810 -12.436 2.825 1.00 0.00 C ATOM 383 SD MET A 28 10.043 -14.172 3.252 1.00 0.00 S ATOM 384 CE MET A 28 11.780 -14.184 3.687 1.00 0.00 C ATOM 0 H MET A 28 7.983 -10.564 0.374 1.00 0.00 H new ATOM 0 HA MET A 28 10.560 -10.354 1.608 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.469 -12.330 1.160 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.035 -13.018 0.777 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.699 -11.873 3.110 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.978 -12.032 3.402 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.933 -14.824 4.556 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.362 -14.566 2.848 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.103 -13.170 3.922 1.00 0.00 H new ATOM 394 N PRO A 29 12.126 -11.659 -0.151 1.00 0.00 N ATOM 395 CA PRO A 29 13.103 -11.895 -1.216 1.00 0.00 C ATOM 396 C PRO A 29 12.712 -13.068 -2.109 1.00 0.00 C ATOM 397 O PRO A 29 13.423 -14.071 -2.185 1.00 0.00 O ATOM 398 CB PRO A 29 14.382 -12.207 -0.447 1.00 0.00 C ATOM 399 CG PRO A 29 13.912 -12.824 0.824 1.00 0.00 C ATOM 400 CD PRO A 29 12.604 -12.154 1.156 1.00 0.00 C ATOM 0 HA PRO A 29 13.192 -11.045 -1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.024 -12.888 -1.005 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.962 -11.304 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.780 -13.900 0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.640 -12.675 1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.897 -12.853 1.603 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.740 -11.340 1.868 1.00 0.00 H new ATOM 408 N GLY A 30 11.575 -12.933 -2.785 1.00 0.00 N ATOM 409 CA GLY A 30 11.105 -13.987 -3.664 1.00 0.00 C ATOM 410 C GLY A 30 9.618 -14.244 -3.517 1.00 0.00 C ATOM 411 O GLY A 30 9.181 -15.394 -3.476 1.00 0.00 O ATOM 0 H GLY A 30 10.971 -12.112 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.324 -13.719 -4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.652 -14.905 -3.450 1.00 0.00 H new ATOM 415 N TYR A 31 8.838 -13.171 -3.434 1.00 0.00 N ATOM 416 CA TYR A 31 7.392 -13.283 -3.287 1.00 0.00 C ATOM 417 C TYR A 31 6.680 -12.836 -4.560 1.00 0.00 C ATOM 418 O TYR A 31 7.320 -12.525 -5.564 1.00 0.00 O ATOM 419 CB TYR A 31 6.917 -12.444 -2.100 1.00 0.00 C ATOM 420 CG TYR A 31 6.861 -13.210 -0.797 1.00 0.00 C ATOM 421 CD1 TYR A 31 7.865 -14.106 -0.451 1.00 0.00 C ATOM 422 CD2 TYR A 31 5.803 -13.038 0.087 1.00 0.00 C ATOM 423 CE1 TYR A 31 7.816 -14.809 0.738 1.00 0.00 C ATOM 424 CE2 TYR A 31 5.748 -13.736 1.279 1.00 0.00 C ATOM 425 CZ TYR A 31 6.757 -14.620 1.600 1.00 0.00 C ATOM 426 OH TYR A 31 6.705 -15.317 2.784 1.00 0.00 O ATOM 0 H TYR A 31 9.184 -12.212 -3.466 1.00 0.00 H new ATOM 0 HA TYR A 31 7.147 -14.330 -3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.583 -11.590 -1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.926 -12.047 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.698 -14.256 -1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.010 -12.348 -0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.604 -15.503 0.991 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.919 -13.590 1.956 1.00 0.00 H new ATOM 0 HH TYR A 31 7.565 -15.239 3.248 1.00 0.00 H new ATOM 436 N GLU A 32 5.352 -12.804 -4.511 1.00 0.00 N ATOM 437 CA GLU A 32 4.554 -12.395 -5.660 1.00 0.00 C ATOM 438 C GLU A 32 3.316 -11.622 -5.216 1.00 0.00 C ATOM 439 O GLU A 32 3.055 -11.483 -4.021 1.00 0.00 O ATOM 440 CB GLU A 32 4.139 -13.616 -6.481 1.00 0.00 C ATOM 441 CG GLU A 32 5.287 -14.568 -6.777 1.00 0.00 C ATOM 442 CD GLU A 32 4.849 -15.778 -7.579 1.00 0.00 C ATOM 443 OE1 GLU A 32 3.841 -16.410 -7.198 1.00 0.00 O ATOM 444 OE2 GLU A 32 5.515 -16.095 -8.587 1.00 0.00 O ATOM 0 H GLU A 32 4.806 -13.057 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 32 5.166 -11.740 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.359 -14.156 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.704 -13.280 -7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.064 -14.035 -7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.730 -14.900 -5.838 1.00 0.00 H new ATOM 451 N GLY A 33 2.557 -11.121 -6.185 1.00 0.00 N ATOM 452 CA GLY A 33 1.356 -10.369 -5.874 1.00 0.00 C ATOM 453 C GLY A 33 1.607 -8.875 -5.808 1.00 0.00 C ATOM 454 O GLY A 33 2.755 -8.433 -5.755 1.00 0.00 O ATOM 0 H GLY A 33 2.753 -11.223 -7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.597 -10.574 -6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.955 -10.709 -4.919 1.00 0.00 H new ATOM 458 N VAL A 34 0.531 -8.095 -5.811 1.00 0.00 N ATOM 459 CA VAL A 34 0.640 -6.644 -5.751 1.00 0.00 C ATOM 460 C VAL A 34 0.633 -6.151 -4.309 1.00 0.00 C ATOM 461 O VAL A 34 1.289 -5.162 -3.978 1.00 0.00 O ATOM 462 CB VAL A 34 -0.510 -5.963 -6.518 1.00 0.00 C ATOM 463 CG1 VAL A 34 -0.273 -4.464 -6.618 1.00 0.00 C ATOM 464 CG2 VAL A 34 -0.669 -6.579 -7.900 1.00 0.00 C ATOM 0 H VAL A 34 -0.426 -8.445 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 34 1.588 -6.379 -6.219 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.436 -6.124 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.096 -4.001 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.215 -4.037 -5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.662 -4.278 -7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.486 -6.085 -8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.255 -6.452 -8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.891 -7.642 -7.801 1.00 0.00 H new ATOM 474 N TYR A 35 -0.112 -6.844 -3.454 1.00 0.00 N ATOM 475 CA TYR A 35 -0.205 -6.475 -2.046 1.00 0.00 C ATOM 476 C TYR A 35 0.430 -7.542 -1.160 1.00 0.00 C ATOM 477 O TYR A 35 -0.022 -7.781 -0.040 1.00 0.00 O ATOM 478 CB TYR A 35 -1.666 -6.267 -1.647 1.00 0.00 C ATOM 479 CG TYR A 35 -2.174 -4.868 -1.922 1.00 0.00 C ATOM 480 CD1 TYR A 35 -1.678 -3.776 -1.220 1.00 0.00 C ATOM 481 CD2 TYR A 35 -3.145 -4.640 -2.887 1.00 0.00 C ATOM 482 CE1 TYR A 35 -2.138 -2.498 -1.470 1.00 0.00 C ATOM 483 CE2 TYR A 35 -3.610 -3.364 -3.145 1.00 0.00 C ATOM 484 CZ TYR A 35 -3.103 -2.297 -2.434 1.00 0.00 C ATOM 485 OH TYR A 35 -3.563 -1.025 -2.688 1.00 0.00 O ATOM 0 H TYR A 35 -0.660 -7.665 -3.712 1.00 0.00 H new ATOM 0 HA TYR A 35 0.339 -5.541 -1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.287 -6.983 -2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.779 -6.484 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.920 -3.929 -0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.544 -5.474 -3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.744 -1.661 -0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.366 -3.204 -3.899 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.833 -0.383 -2.567 1.00 0.00 H new ATOM 495 N CYS A 36 1.478 -8.183 -1.669 1.00 0.00 N ATOM 496 CA CYS A 36 2.176 -9.225 -0.922 1.00 0.00 C ATOM 497 C CYS A 36 1.192 -10.250 -0.363 1.00 0.00 C ATOM 498 O CYS A 36 0.719 -10.120 0.765 1.00 0.00 O ATOM 499 CB CYS A 36 2.989 -8.608 0.216 1.00 0.00 C ATOM 500 SG CYS A 36 4.488 -7.730 -0.334 1.00 0.00 S ATOM 0 H CYS A 36 1.863 -7.999 -2.596 1.00 0.00 H new ATOM 0 HA CYS A 36 2.852 -9.736 -1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.355 -7.913 0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.277 -9.396 0.912 1.00 0.00 H new ATOM 505 N GLU A 37 0.888 -11.266 -1.162 1.00 0.00 N ATOM 506 CA GLU A 37 -0.041 -12.310 -0.748 1.00 0.00 C ATOM 507 C GLU A 37 0.102 -13.548 -1.629 1.00 0.00 C ATOM 508 O GLU A 37 0.106 -14.676 -1.135 1.00 0.00 O ATOM 509 CB GLU A 37 -1.480 -11.785 -0.799 1.00 0.00 C ATOM 510 CG GLU A 37 -2.535 -12.856 -0.558 1.00 0.00 C ATOM 511 CD GLU A 37 -3.895 -12.271 -0.229 1.00 0.00 C ATOM 512 OE1 GLU A 37 -4.102 -11.067 -0.486 1.00 0.00 O ATOM 513 OE2 GLU A 37 -4.754 -13.019 0.284 1.00 0.00 O ATOM 0 H GLU A 37 1.271 -11.389 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 37 0.197 -12.594 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.597 -10.999 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.656 -11.328 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.619 -13.484 -1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.213 -13.500 0.260 1.00 0.00 H new ATOM 520 N ILE A 38 0.219 -13.331 -2.935 1.00 0.00 N ATOM 521 CA ILE A 38 0.362 -14.430 -3.882 1.00 0.00 C ATOM 522 C ILE A 38 1.830 -14.779 -4.099 1.00 0.00 C ATOM 523 O ILE A 38 2.213 -15.949 -4.060 1.00 0.00 O ATOM 524 CB ILE A 38 -0.277 -14.089 -5.242 1.00 0.00 C ATOM 525 CG1 ILE A 38 -1.684 -13.524 -5.042 1.00 0.00 C ATOM 526 CG2 ILE A 38 -0.316 -15.321 -6.132 1.00 0.00 C ATOM 527 CD1 ILE A 38 -2.632 -14.488 -4.363 1.00 0.00 C ATOM 0 H ILE A 38 0.218 -12.404 -3.361 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.155 -15.287 -3.451 1.00 0.00 H new ATOM 0 HB ILE A 38 0.332 -13.330 -5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.619 -12.612 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.096 -13.245 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.770 -15.064 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.699 -15.683 -6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.905 -16.101 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.610 -14.020 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.727 -15.391 -4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.243 -14.748 -3.379 1.00 0.00 H new TER 539 ILE A 38 HETATM 540 C1 FUC A 39 10.229 -4.414 5.906 1.00 0.00 C HETATM 541 C2 FUC A 39 10.820 -5.185 7.083 1.00 0.00 C HETATM 542 C3 FUC A 39 10.154 -6.551 7.201 1.00 0.00 C HETATM 543 C4 FUC A 39 10.259 -7.288 5.871 1.00 0.00 C HETATM 544 C5 FUC A 39 9.686 -6.425 4.751 1.00 0.00 C HETATM 545 C6 FUC A 39 9.829 -7.075 3.388 1.00 0.00 C HETATM 546 O2 FUC A 39 10.624 -4.451 8.283 1.00 0.00 O HETATM 547 O3 FUC A 39 10.801 -7.318 8.234 1.00 0.00 O HETATM 548 O4 FUC A 39 11.620 -7.587 5.596 1.00 0.00 O HETATM 549 O5 FUC A 39 10.376 -5.163 4.697 1.00 0.00 O HETATM 0 HO4 FUC A 39 12.131 -7.582 6.432 1.00 0.00 H new HETATM 0 HO2 FUC A 39 9.783 -3.952 8.227 1.00 0.00 H new HETATM 0 H63 FUC A 39 10.884 -7.245 3.175 1.00 0.00 H new HETATM 0 H62 FUC A 39 9.300 -8.028 3.382 1.00 0.00 H new HETATM 0 H61 FUC A 39 9.406 -6.420 2.626 1.00 0.00 H new HETATM 0 H5 FUC A 39 8.628 -6.294 4.976 1.00 0.00 H new HETATM 0 H4 FUC A 39 9.691 -8.216 5.932 1.00 0.00 H new HETATM 0 H3 FUC A 39 9.103 -6.419 7.457 1.00 0.00 H new HETATM 0 H2 FUC A 39 11.888 -5.325 6.915 1.00 0.00 H new HETATM 560 C1 NAG A 40 9.963 -8.036 9.072 1.00 0.00 C HETATM 561 C2 NAG A 40 10.789 -8.759 10.130 1.00 0.00 C HETATM 562 C3 NAG A 40 9.869 -9.474 11.111 1.00 0.00 C HETATM 563 C4 NAG A 40 8.857 -8.489 11.684 1.00 0.00 C HETATM 564 C5 NAG A 40 8.121 -7.777 10.554 1.00 0.00 C HETATM 565 C6 NAG A 40 7.164 -6.718 11.066 1.00 0.00 C HETATM 566 C7 NAG A 40 12.913 -9.371 9.173 1.00 0.00 C HETATM 567 C8 NAG A 40 13.853 -10.479 8.729 1.00 0.00 C HETATM 568 N2 NAG A 40 11.671 -9.720 9.495 1.00 0.00 N HETATM 569 O3 NAG A 40 10.638 -10.035 12.165 1.00 0.00 O HETATM 570 O4 NAG A 40 7.923 -9.185 12.497 1.00 0.00 O HETATM 571 O5 NAG A 40 9.062 -7.115 9.690 1.00 0.00 O HETATM 572 O6 NAG A 40 6.508 -6.056 9.994 1.00 0.00 O HETATM 573 O7 NAG A 40 13.316 -8.209 9.232 1.00 0.00 O HETATM 0 HO6 NAG A 40 7.120 -5.982 9.232 1.00 0.00 H new HETATM 0 HO4 NAG A 40 7.486 -8.554 13.107 1.00 0.00 H new HETATM 0 HO3 NAG A 40 10.044 -10.493 12.796 1.00 0.00 H new HETATM 0 HN2 NAG A 40 11.338 -10.663 9.296 1.00 0.00 H new HETATM 0 H83 NAG A 40 13.955 -11.212 9.529 1.00 0.00 H new HETATM 0 H82 NAG A 40 13.449 -10.965 7.841 1.00 0.00 H new HETATM 0 H81 NAG A 40 14.830 -10.056 8.497 1.00 0.00 H new HETATM 0 H62 NAG A 40 6.423 -7.179 11.720 1.00 0.00 H new HETATM 0 H61 NAG A 40 7.710 -5.990 11.666 1.00 0.00 H new HETATM 0 H5 NAG A 40 7.559 -8.545 10.023 1.00 0.00 H new HETATM 0 H4 NAG A 40 9.384 -7.749 12.286 1.00 0.00 H new HETATM 0 H3 NAG A 40 9.338 -10.269 10.588 1.00 0.00 H new HETATM 0 H2 NAG A 40 11.387 -8.027 10.673 1.00 0.00 H new