USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 261 hydrogens (11 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 12 ASN : amide:sc= -1.78 X(o=-1.3,f=-0.89!) USER MOD Set 1.2: A 31 TYR OH : rot 30:sc= 0.481 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.966 K(o=-0.97,f=-2.2) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.507 K(o=-0.51,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.272 K(o=-0.27,f=-0.86) USER MOD Single : A 28 MET CE :methyl 147:sc= -1.87 (180deg=-4.5!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 FUC O2 : rot 36:sc= 0.013 USER MOD Single : A 39 FUC O3 : rot -91:sc= 0.044 USER MOD Single : A 39 FUC O4 : rot 160:sc= 0.0577 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.559 11.360 -6.558 1.00 0.00 N ATOM 2 CA ASP A 1 -6.881 10.366 -5.542 1.00 0.00 C ATOM 3 C ASP A 1 -5.718 10.182 -4.573 1.00 0.00 C ATOM 4 O ASP A 1 -4.627 9.769 -4.969 1.00 0.00 O ATOM 5 CB ASP A 1 -7.231 9.029 -6.199 1.00 0.00 C ATOM 6 CG ASP A 1 -8.608 9.039 -6.832 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.590 8.740 -6.121 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.705 9.345 -8.038 1.00 0.00 O ATOM 0 H1 ASP A 1 -7.365 11.468 -7.206 1.00 0.00 H new ATOM 0 H2 ASP A 1 -6.358 12.272 -6.100 1.00 0.00 H new ATOM 0 H3 ASP A 1 -5.723 11.050 -7.094 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.744 10.723 -4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.486 8.795 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.183 8.237 -5.452 1.00 0.00 H new ATOM 13 N VAL A 2 -5.957 10.490 -3.302 1.00 0.00 N ATOM 14 CA VAL A 2 -4.929 10.358 -2.276 1.00 0.00 C ATOM 15 C VAL A 2 -5.486 9.691 -1.024 1.00 0.00 C ATOM 16 O VAL A 2 -6.695 9.694 -0.791 1.00 0.00 O ATOM 17 CB VAL A 2 -4.336 11.726 -1.893 1.00 0.00 C ATOM 18 CG1 VAL A 2 -3.351 12.195 -2.953 1.00 0.00 C ATOM 19 CG2 VAL A 2 -5.441 12.750 -1.689 1.00 0.00 C ATOM 0 H VAL A 2 -6.854 10.833 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.141 9.735 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.797 11.618 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.942 13.164 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.541 11.471 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.863 12.287 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.002 13.710 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.011 12.858 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.103 12.416 -0.890 1.00 0.00 H new ATOM 29 N ASN A 3 -4.597 9.118 -0.220 1.00 0.00 N ATOM 30 CA ASN A 3 -4.998 8.445 1.011 1.00 0.00 C ATOM 31 C ASN A 3 -5.943 7.284 0.712 1.00 0.00 C ATOM 32 O ASN A 3 -7.163 7.435 0.760 1.00 0.00 O ATOM 33 CB ASN A 3 -5.672 9.438 1.961 1.00 0.00 C ATOM 34 CG ASN A 3 -5.230 9.252 3.399 1.00 0.00 C ATOM 35 OD1 ASN A 3 -5.238 8.138 3.924 1.00 0.00 O ATOM 36 ND2 ASN A 3 -4.843 10.345 4.045 1.00 0.00 N ATOM 0 H ASN A 3 -3.593 9.106 -0.399 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.103 8.046 1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -5.443 10.455 1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -6.754 9.320 1.898 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.536 10.282 5.016 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.852 11.248 3.571 1.00 0.00 H new ATOM 43 N GLU A 4 -5.367 6.125 0.407 1.00 0.00 N ATOM 44 CA GLU A 4 -6.157 4.937 0.100 1.00 0.00 C ATOM 45 C GLU A 4 -6.021 3.895 1.206 1.00 0.00 C ATOM 46 O GLU A 4 -6.973 3.183 1.521 1.00 0.00 O ATOM 47 CB GLU A 4 -5.719 4.339 -1.238 1.00 0.00 C ATOM 48 CG GLU A 4 -6.842 3.643 -1.990 1.00 0.00 C ATOM 49 CD GLU A 4 -6.740 3.827 -3.492 1.00 0.00 C ATOM 50 OE1 GLU A 4 -5.634 4.142 -3.977 1.00 0.00 O ATOM 51 OE2 GLU A 4 -7.767 3.656 -4.181 1.00 0.00 O ATOM 0 H GLU A 4 -4.358 5.983 0.366 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.204 5.234 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.310 5.132 -1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.914 3.625 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.826 2.578 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.800 4.031 -1.644 1.00 0.00 H new ATOM 58 N CYS A 5 -4.830 3.811 1.791 1.00 0.00 N ATOM 59 CA CYS A 5 -4.570 2.856 2.861 1.00 0.00 C ATOM 60 C CYS A 5 -4.764 3.505 4.227 1.00 0.00 C ATOM 61 O CYS A 5 -3.801 3.760 4.949 1.00 0.00 O ATOM 62 CB CYS A 5 -3.150 2.299 2.743 1.00 0.00 C ATOM 63 SG CYS A 5 -2.769 0.968 3.927 1.00 0.00 S ATOM 0 H CYS A 5 -4.030 4.393 1.542 1.00 0.00 H new ATOM 0 HA CYS A 5 -5.282 2.036 2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.002 1.923 1.731 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.439 3.113 2.887 1.00 0.00 H new ATOM 68 N ILE A 6 -6.019 3.773 4.576 1.00 0.00 N ATOM 69 CA ILE A 6 -6.340 4.395 5.853 1.00 0.00 C ATOM 70 C ILE A 6 -6.570 3.344 6.935 1.00 0.00 C ATOM 71 O ILE A 6 -6.217 3.548 8.096 1.00 0.00 O ATOM 72 CB ILE A 6 -7.594 5.287 5.747 1.00 0.00 C ATOM 73 CG1 ILE A 6 -7.467 6.248 4.563 1.00 0.00 C ATOM 74 CG2 ILE A 6 -7.805 6.059 7.041 1.00 0.00 C ATOM 75 CD1 ILE A 6 -8.759 6.433 3.795 1.00 0.00 C ATOM 0 H ILE A 6 -6.829 3.568 3.991 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.485 5.014 6.125 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.462 4.649 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.128 7.218 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.700 5.876 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.693 6.684 6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.936 5.358 7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.937 6.689 7.235 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.596 7.126 2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.089 5.472 3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.524 6.834 4.460 1.00 0.00 H new ATOM 87 N SER A 7 -7.161 2.218 6.546 1.00 0.00 N ATOM 88 CA SER A 7 -7.434 1.137 7.487 1.00 0.00 C ATOM 89 C SER A 7 -7.065 -0.214 6.885 1.00 0.00 C ATOM 90 O SER A 7 -7.870 -1.147 6.879 1.00 0.00 O ATOM 91 CB SER A 7 -8.909 1.148 7.894 1.00 0.00 C ATOM 92 OG SER A 7 -9.062 0.825 9.267 1.00 0.00 O ATOM 0 H SER A 7 -7.459 2.031 5.589 1.00 0.00 H new ATOM 0 HA SER A 7 -6.821 1.295 8.374 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.336 2.132 7.699 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.463 0.433 7.285 1.00 0.00 H new ATOM 0 HG SER A 7 -10.013 0.840 9.503 1.00 0.00 H new ATOM 98 N ASN A 8 -5.839 -0.313 6.384 1.00 0.00 N ATOM 99 CA ASN A 8 -5.348 -1.550 5.783 1.00 0.00 C ATOM 100 C ASN A 8 -6.355 -2.120 4.782 1.00 0.00 C ATOM 101 O ASN A 8 -7.242 -2.889 5.155 1.00 0.00 O ATOM 102 CB ASN A 8 -5.050 -2.584 6.870 1.00 0.00 C ATOM 103 CG ASN A 8 -3.579 -2.640 7.228 1.00 0.00 C ATOM 104 OD1 ASN A 8 -2.944 -3.691 7.137 1.00 0.00 O ATOM 105 ND2 ASN A 8 -3.027 -1.504 7.639 1.00 0.00 N ATOM 0 H ASN A 8 -5.163 0.451 6.382 1.00 0.00 H new ATOM 0 HA ASN A 8 -4.429 -1.318 5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.629 -2.346 7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -5.376 -3.567 6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.040 -1.480 7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.590 -0.656 7.700 1.00 0.00 H new ATOM 112 N PRO A 9 -6.229 -1.754 3.495 1.00 0.00 N ATOM 113 CA PRO A 9 -7.131 -2.238 2.447 1.00 0.00 C ATOM 114 C PRO A 9 -6.864 -3.693 2.085 1.00 0.00 C ATOM 115 O PRO A 9 -7.779 -4.435 1.733 1.00 0.00 O ATOM 116 CB PRO A 9 -6.814 -1.324 1.263 1.00 0.00 C ATOM 117 CG PRO A 9 -5.395 -0.922 1.470 1.00 0.00 C ATOM 118 CD PRO A 9 -5.197 -0.843 2.960 1.00 0.00 C ATOM 0 HA PRO A 9 -8.175 -2.210 2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.944 -1.844 0.314 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.473 -0.456 1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.715 -1.648 1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.189 0.039 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.194 -1.159 3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.329 0.174 3.329 1.00 0.00 H new ATOM 126 N CYS A 10 -5.601 -4.096 2.180 1.00 0.00 N ATOM 127 CA CYS A 10 -5.206 -5.464 1.871 1.00 0.00 C ATOM 128 C CYS A 10 -5.752 -6.426 2.923 1.00 0.00 C ATOM 129 O CYS A 10 -5.539 -6.232 4.119 1.00 0.00 O ATOM 130 CB CYS A 10 -3.676 -5.583 1.790 1.00 0.00 C ATOM 131 SG CYS A 10 -2.825 -4.087 1.172 1.00 0.00 S ATOM 0 H CYS A 10 -4.832 -3.492 2.470 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.626 -5.729 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.291 -5.820 2.782 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.424 -6.422 1.141 1.00 0.00 H new ATOM 136 N GLN A 11 -6.464 -7.457 2.474 1.00 0.00 N ATOM 137 CA GLN A 11 -7.041 -8.438 3.388 1.00 0.00 C ATOM 138 C GLN A 11 -6.116 -9.631 3.567 1.00 0.00 C ATOM 139 O GLN A 11 -6.553 -10.782 3.593 1.00 0.00 O ATOM 140 CB GLN A 11 -8.409 -8.904 2.885 1.00 0.00 C ATOM 141 CG GLN A 11 -9.431 -7.786 2.776 1.00 0.00 C ATOM 142 CD GLN A 11 -10.411 -7.777 3.932 1.00 0.00 C ATOM 143 OE1 GLN A 11 -11.609 -7.564 3.744 1.00 0.00 O ATOM 144 NE2 GLN A 11 -9.908 -8.006 5.140 1.00 0.00 N ATOM 0 H GLN A 11 -6.654 -7.634 1.488 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.168 -7.955 4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.288 -9.370 1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.792 -9.671 3.558 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.913 -6.828 2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.980 -7.891 1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.909 -8.178 5.252 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.521 -8.010 5.955 1.00 0.00 H new ATOM 153 N ASN A 12 -4.837 -9.337 3.698 1.00 0.00 N ATOM 154 CA ASN A 12 -3.827 -10.366 3.885 1.00 0.00 C ATOM 155 C ASN A 12 -2.650 -9.814 4.686 1.00 0.00 C ATOM 156 O ASN A 12 -2.776 -8.789 5.359 1.00 0.00 O ATOM 157 CB ASN A 12 -3.372 -10.897 2.525 1.00 0.00 C ATOM 158 CG ASN A 12 -4.206 -12.079 2.068 1.00 0.00 C ATOM 159 OD1 ASN A 12 -4.717 -12.844 2.886 1.00 0.00 O ATOM 160 ND2 ASN A 12 -4.351 -12.236 0.757 1.00 0.00 N ATOM 0 H ASN A 12 -4.468 -8.386 3.678 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.255 -11.194 4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.437 -10.100 1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.325 -11.193 2.584 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.903 -13.013 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.911 -11.579 0.113 1.00 0.00 H new ATOM 167 N ASP A 13 -1.505 -10.486 4.615 1.00 0.00 N ATOM 168 CA ASP A 13 -0.316 -10.046 5.333 1.00 0.00 C ATOM 169 C ASP A 13 0.530 -9.115 4.467 1.00 0.00 C ATOM 170 O ASP A 13 1.752 -9.065 4.606 1.00 0.00 O ATOM 171 CB ASP A 13 0.515 -11.254 5.775 1.00 0.00 C ATOM 172 CG ASP A 13 0.313 -11.588 7.238 1.00 0.00 C ATOM 173 OD1 ASP A 13 -0.617 -12.363 7.549 1.00 0.00 O ATOM 174 OD2 ASP A 13 1.085 -11.077 8.077 1.00 0.00 O ATOM 0 H ASP A 13 -1.376 -11.337 4.067 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.637 -9.495 6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.247 -12.118 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.571 -11.052 5.593 1.00 0.00 H new ATOM 179 N ALA A 14 -0.128 -8.380 3.574 1.00 0.00 N ATOM 180 CA ALA A 14 0.559 -7.454 2.689 1.00 0.00 C ATOM 181 C ALA A 14 1.153 -6.287 3.466 1.00 0.00 C ATOM 182 O ALA A 14 1.073 -6.237 4.693 1.00 0.00 O ATOM 183 CB ALA A 14 -0.409 -6.955 1.631 1.00 0.00 C ATOM 0 H ALA A 14 -1.140 -8.411 3.447 1.00 0.00 H new ATOM 0 HA ALA A 14 1.383 -7.978 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.105 -6.260 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.784 -7.800 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.244 -6.446 2.113 1.00 0.00 H new ATOM 189 N THR A 15 1.751 -5.349 2.741 1.00 0.00 N ATOM 190 CA THR A 15 2.362 -4.179 3.357 1.00 0.00 C ATOM 191 C THR A 15 1.670 -2.899 2.894 1.00 0.00 C ATOM 192 O THR A 15 1.379 -2.733 1.709 1.00 0.00 O ATOM 193 CB THR A 15 3.855 -4.133 3.019 1.00 0.00 C ATOM 194 OG1 THR A 15 4.548 -5.182 3.672 1.00 0.00 O ATOM 195 CG2 THR A 15 4.535 -2.837 3.408 1.00 0.00 C ATOM 0 H THR A 15 1.825 -5.377 1.724 1.00 0.00 H new ATOM 0 HA THR A 15 2.245 -4.253 4.438 1.00 0.00 H new ATOM 0 HB THR A 15 3.897 -4.232 1.934 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.589 -2.883 3.136 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.061 -2.006 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.444 -2.687 4.484 1.00 0.00 H new ATOM 202 N CYS A 16 1.407 -2.000 3.836 1.00 0.00 N ATOM 203 CA CYS A 16 0.748 -0.737 3.527 1.00 0.00 C ATOM 204 C CYS A 16 1.772 0.339 3.180 1.00 0.00 C ATOM 205 O CYS A 16 2.185 1.116 4.040 1.00 0.00 O ATOM 206 CB CYS A 16 -0.112 -0.284 4.711 1.00 0.00 C ATOM 207 SG CYS A 16 -0.864 1.365 4.506 1.00 0.00 S ATOM 0 H CYS A 16 1.641 -2.123 4.821 1.00 0.00 H new ATOM 0 HA CYS A 16 0.105 -0.891 2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.905 -1.015 4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.503 -0.281 5.611 1.00 0.00 H new ATOM 212 N LEU A 17 2.177 0.375 1.915 1.00 0.00 N ATOM 213 CA LEU A 17 3.151 1.356 1.454 1.00 0.00 C ATOM 214 C LEU A 17 2.449 2.612 0.940 1.00 0.00 C ATOM 215 O LEU A 17 2.486 2.917 -0.252 1.00 0.00 O ATOM 216 CB LEU A 17 4.033 0.753 0.356 1.00 0.00 C ATOM 217 CG LEU A 17 5.534 1.005 0.520 1.00 0.00 C ATOM 218 CD1 LEU A 17 6.334 -0.198 0.048 1.00 0.00 C ATOM 219 CD2 LEU A 17 5.948 2.255 -0.240 1.00 0.00 C ATOM 0 H LEU A 17 1.846 -0.263 1.192 1.00 0.00 H new ATOM 0 HA LEU A 17 3.783 1.636 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.862 -0.323 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.715 1.155 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 17 5.744 1.160 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.398 0.001 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.057 -1.073 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.121 -0.386 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.018 2.420 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.723 2.128 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.400 3.114 0.147 1.00 0.00 H new ATOM 231 N ASP A 18 1.807 3.335 1.853 1.00 0.00 N ATOM 232 CA ASP A 18 1.094 4.556 1.497 1.00 0.00 C ATOM 233 C ASP A 18 1.114 5.553 2.650 1.00 0.00 C ATOM 234 O ASP A 18 0.483 5.333 3.685 1.00 0.00 O ATOM 235 CB ASP A 18 -0.351 4.230 1.112 1.00 0.00 C ATOM 236 CG ASP A 18 -1.058 5.409 0.469 1.00 0.00 C ATOM 237 OD1 ASP A 18 -0.550 6.544 0.588 1.00 0.00 O ATOM 238 OD2 ASP A 18 -2.120 5.196 -0.152 1.00 0.00 O ATOM 0 H ASP A 18 1.766 3.096 2.844 1.00 0.00 H new ATOM 0 HA ASP A 18 1.598 5.008 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.359 3.385 0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.900 3.921 2.001 1.00 0.00 H new ATOM 243 N GLN A 19 1.839 6.651 2.466 1.00 0.00 N ATOM 244 CA GLN A 19 1.938 7.683 3.490 1.00 0.00 C ATOM 245 C GLN A 19 1.158 8.930 3.084 1.00 0.00 C ATOM 246 O GLN A 19 1.742 9.946 2.706 1.00 0.00 O ATOM 247 CB GLN A 19 3.406 8.039 3.743 1.00 0.00 C ATOM 248 CG GLN A 19 3.732 8.267 5.210 1.00 0.00 C ATOM 249 CD GLN A 19 4.183 7.002 5.911 1.00 0.00 C ATOM 250 OE1 GLN A 19 3.412 6.369 6.634 1.00 0.00 O ATOM 251 NE2 GLN A 19 5.440 6.625 5.702 1.00 0.00 N ATOM 0 H GLN A 19 2.367 6.849 1.616 1.00 0.00 H new ATOM 0 HA GLN A 19 1.504 7.292 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.037 7.237 3.359 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.656 8.938 3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.514 9.021 5.291 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.852 8.664 5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.044 7.179 5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.800 5.782 6.148 1.00 0.00 H new ATOM 260 N ILE A 20 -0.166 8.846 3.165 1.00 0.00 N ATOM 261 CA ILE A 20 -1.031 9.964 2.808 1.00 0.00 C ATOM 262 C ILE A 20 -0.692 10.504 1.421 1.00 0.00 C ATOM 263 O ILE A 20 -0.317 11.667 1.267 1.00 0.00 O ATOM 264 CB ILE A 20 -0.919 11.101 3.843 1.00 0.00 C ATOM 265 CG1 ILE A 20 -1.208 10.569 5.248 1.00 0.00 C ATOM 266 CG2 ILE A 20 -1.867 12.242 3.497 1.00 0.00 C ATOM 267 CD1 ILE A 20 -0.425 11.273 6.335 1.00 0.00 C ATOM 0 H ILE A 20 -0.664 8.012 3.476 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.055 9.590 2.799 1.00 0.00 H new ATOM 0 HB ILE A 20 0.100 11.488 3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.273 10.672 5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.979 9.504 5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.771 13.033 4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.617 12.637 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.893 11.873 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.681 10.844 7.304 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.643 11.148 6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.672 12.335 6.332 1.00 0.00 H new ATOM 279 N GLY A 21 -0.828 9.649 0.411 1.00 0.00 N ATOM 280 CA GLY A 21 -0.533 10.058 -0.951 1.00 0.00 C ATOM 281 C GLY A 21 -0.745 8.939 -1.951 1.00 0.00 C ATOM 282 O GLY A 21 -1.870 8.691 -2.386 1.00 0.00 O ATOM 0 H GLY A 21 -1.137 8.682 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.166 10.904 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.500 10.402 -1.008 1.00 0.00 H new ATOM 286 N GLU A 22 0.338 8.261 -2.315 1.00 0.00 N ATOM 287 CA GLU A 22 0.266 7.162 -3.271 1.00 0.00 C ATOM 288 C GLU A 22 0.062 5.830 -2.553 1.00 0.00 C ATOM 289 O GLU A 22 0.757 5.524 -1.586 1.00 0.00 O ATOM 290 CB GLU A 22 1.539 7.111 -4.119 1.00 0.00 C ATOM 291 CG GLU A 22 1.353 7.654 -5.528 1.00 0.00 C ATOM 292 CD GLU A 22 2.245 8.845 -5.819 1.00 0.00 C ATOM 293 OE1 GLU A 22 3.428 8.631 -6.160 1.00 0.00 O ATOM 294 OE2 GLU A 22 1.759 9.991 -5.709 1.00 0.00 O ATOM 0 H GLU A 22 1.276 8.453 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.589 7.336 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.322 7.681 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.885 6.079 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.563 6.863 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.311 7.943 -5.667 1.00 0.00 H new ATOM 301 N PHE A 23 -0.895 5.043 -3.035 1.00 0.00 N ATOM 302 CA PHE A 23 -1.190 3.746 -2.438 1.00 0.00 C ATOM 303 C PHE A 23 -0.409 2.634 -3.133 1.00 0.00 C ATOM 304 O PHE A 23 -0.364 2.570 -4.362 1.00 0.00 O ATOM 305 CB PHE A 23 -2.692 3.456 -2.507 1.00 0.00 C ATOM 306 CG PHE A 23 -3.062 2.081 -2.026 1.00 0.00 C ATOM 307 CD1 PHE A 23 -2.788 1.691 -0.725 1.00 0.00 C ATOM 308 CD2 PHE A 23 -3.678 1.178 -2.876 1.00 0.00 C ATOM 309 CE1 PHE A 23 -3.122 0.426 -0.280 1.00 0.00 C ATOM 310 CE2 PHE A 23 -4.016 -0.087 -2.438 1.00 0.00 C ATOM 311 CZ PHE A 23 -3.737 -0.465 -1.140 1.00 0.00 C ATOM 0 H PHE A 23 -1.479 5.281 -3.837 1.00 0.00 H new ATOM 0 HA PHE A 23 -0.883 3.779 -1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.224 4.196 -1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.030 3.575 -3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.307 2.384 -0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.897 1.467 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.903 0.134 0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.499 -0.781 -3.111 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.999 -1.455 -0.797 1.00 0.00 H new ATOM 321 N GLN A 24 0.201 1.759 -2.339 1.00 0.00 N ATOM 322 CA GLN A 24 0.976 0.648 -2.879 1.00 0.00 C ATOM 323 C GLN A 24 0.947 -0.549 -1.934 1.00 0.00 C ATOM 324 O GLN A 24 1.703 -0.604 -0.963 1.00 0.00 O ATOM 325 CB GLN A 24 2.422 1.085 -3.130 1.00 0.00 C ATOM 326 CG GLN A 24 2.917 0.771 -4.532 1.00 0.00 C ATOM 327 CD GLN A 24 2.170 1.546 -5.601 1.00 0.00 C ATOM 328 OE1 GLN A 24 1.166 1.078 -6.137 1.00 0.00 O ATOM 329 NE2 GLN A 24 2.662 2.739 -5.917 1.00 0.00 N ATOM 0 H GLN A 24 0.173 1.798 -1.320 1.00 0.00 H new ATOM 0 HA GLN A 24 0.525 0.347 -3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.504 2.158 -2.956 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.072 0.594 -2.406 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.980 1.001 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.809 -0.297 -4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.497 3.087 -5.446 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.204 3.307 -6.630 1.00 0.00 H new ATOM 338 N CYS A 25 0.077 -1.511 -2.228 1.00 0.00 N ATOM 339 CA CYS A 25 -0.042 -2.711 -1.406 1.00 0.00 C ATOM 340 C CYS A 25 0.903 -3.798 -1.907 1.00 0.00 C ATOM 341 O CYS A 25 0.846 -4.194 -3.070 1.00 0.00 O ATOM 342 CB CYS A 25 -1.485 -3.228 -1.415 1.00 0.00 C ATOM 343 SG CYS A 25 -1.750 -4.738 -0.423 1.00 0.00 S ATOM 0 H CYS A 25 -0.555 -1.483 -3.028 1.00 0.00 H new ATOM 0 HA CYS A 25 0.232 -2.451 -0.383 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.142 -2.442 -1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.780 -3.428 -2.445 1.00 0.00 H new ATOM 348 N ILE A 26 1.773 -4.273 -1.023 1.00 0.00 N ATOM 349 CA ILE A 26 2.731 -5.313 -1.382 1.00 0.00 C ATOM 350 C ILE A 26 2.143 -6.695 -1.133 1.00 0.00 C ATOM 351 O ILE A 26 1.964 -7.110 0.011 1.00 0.00 O ATOM 352 CB ILE A 26 4.044 -5.173 -0.587 1.00 0.00 C ATOM 353 CG1 ILE A 26 4.491 -3.710 -0.543 1.00 0.00 C ATOM 354 CG2 ILE A 26 5.129 -6.043 -1.203 1.00 0.00 C ATOM 355 CD1 ILE A 26 4.700 -3.100 -1.912 1.00 0.00 C ATOM 0 H ILE A 26 1.835 -3.956 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 26 2.950 -5.194 -2.443 1.00 0.00 H new ATOM 0 HB ILE A 26 3.868 -5.509 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.744 -3.127 -0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.420 -3.639 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.051 -5.934 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.812 -7.086 -1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.302 -5.733 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.016 -2.062 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.468 -3.659 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.767 -3.138 -2.474 1.00 0.00 H new ATOM 367 N CYS A 27 1.835 -7.401 -2.216 1.00 0.00 N ATOM 368 CA CYS A 27 1.258 -8.733 -2.120 1.00 0.00 C ATOM 369 C CYS A 27 2.306 -9.761 -1.705 1.00 0.00 C ATOM 370 O CYS A 27 3.418 -9.409 -1.317 1.00 0.00 O ATOM 371 CB CYS A 27 0.630 -9.137 -3.457 1.00 0.00 C ATOM 372 SG CYS A 27 -1.189 -9.226 -3.433 1.00 0.00 S ATOM 0 H CYS A 27 1.976 -7.071 -3.171 1.00 0.00 H new ATOM 0 HA CYS A 27 0.484 -8.708 -1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.937 -8.422 -4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.026 -10.109 -3.752 1.00 0.00 H new ATOM 377 N MET A 28 1.935 -11.033 -1.792 1.00 0.00 N ATOM 378 CA MET A 28 2.833 -12.122 -1.431 1.00 0.00 C ATOM 379 C MET A 28 3.500 -12.710 -2.672 1.00 0.00 C ATOM 380 O MET A 28 3.026 -12.513 -3.791 1.00 0.00 O ATOM 381 CB MET A 28 2.060 -13.211 -0.684 1.00 0.00 C ATOM 382 CG MET A 28 1.260 -12.686 0.496 1.00 0.00 C ATOM 383 SD MET A 28 -0.067 -13.803 0.989 1.00 0.00 S ATOM 384 CE MET A 28 -0.577 -13.063 2.537 1.00 0.00 C ATOM 0 H MET A 28 1.015 -11.336 -2.111 1.00 0.00 H new ATOM 0 HA MET A 28 3.612 -11.725 -0.780 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.383 -13.707 -1.380 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.762 -13.966 -0.330 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.929 -12.528 1.342 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.836 -11.715 0.239 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.649 -13.207 2.673 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.040 -13.534 3.360 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.353 -11.996 2.522 1.00 0.00 H new ATOM 394 N PRO A 29 4.613 -13.442 -2.492 1.00 0.00 N ATOM 395 CA PRO A 29 5.340 -14.057 -3.607 1.00 0.00 C ATOM 396 C PRO A 29 4.425 -14.861 -4.524 1.00 0.00 C ATOM 397 O PRO A 29 4.202 -16.052 -4.306 1.00 0.00 O ATOM 398 CB PRO A 29 6.345 -14.977 -2.910 1.00 0.00 C ATOM 399 CG PRO A 29 6.561 -14.356 -1.574 1.00 0.00 C ATOM 400 CD PRO A 29 5.248 -13.728 -1.191 1.00 0.00 C ATOM 0 HA PRO A 29 5.802 -13.311 -4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.956 -15.991 -2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.277 -15.043 -3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.865 -15.103 -0.841 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.354 -13.609 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.641 -14.403 -0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.393 -12.820 -0.606 1.00 0.00 H new ATOM 408 N GLY A 30 3.894 -14.200 -5.548 1.00 0.00 N ATOM 409 CA GLY A 30 3.007 -14.868 -6.482 1.00 0.00 C ATOM 410 C GLY A 30 1.585 -14.960 -5.964 1.00 0.00 C ATOM 411 O GLY A 30 1.020 -16.050 -5.870 1.00 0.00 O ATOM 0 H GLY A 30 4.062 -13.214 -5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.011 -14.331 -7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.383 -15.871 -6.682 1.00 0.00 H new ATOM 415 N TYR A 31 1.005 -13.812 -5.624 1.00 0.00 N ATOM 416 CA TYR A 31 -0.360 -13.770 -5.112 1.00 0.00 C ATOM 417 C TYR A 31 -1.300 -13.130 -6.130 1.00 0.00 C ATOM 418 O TYR A 31 -0.856 -12.471 -7.069 1.00 0.00 O ATOM 419 CB TYR A 31 -0.406 -12.993 -3.795 1.00 0.00 C ATOM 420 CG TYR A 31 -1.488 -13.466 -2.851 1.00 0.00 C ATOM 421 CD1 TYR A 31 -1.240 -14.476 -1.931 1.00 0.00 C ATOM 422 CD2 TYR A 31 -2.758 -12.903 -2.881 1.00 0.00 C ATOM 423 CE1 TYR A 31 -2.227 -14.912 -1.066 1.00 0.00 C ATOM 424 CE2 TYR A 31 -3.749 -13.335 -2.020 1.00 0.00 C ATOM 425 CZ TYR A 31 -3.479 -14.339 -1.115 1.00 0.00 C ATOM 426 OH TYR A 31 -4.464 -14.772 -0.258 1.00 0.00 O ATOM 0 H TYR A 31 1.458 -12.901 -5.694 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.690 -14.793 -4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.561 -13.078 -3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.561 -11.936 -4.012 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.260 -14.929 -1.890 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.974 -12.116 -3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.017 -15.698 -0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.731 -12.888 -2.056 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.057 -15.089 0.575 1.00 0.00 H new ATOM 436 N GLU A 32 -2.601 -13.332 -5.941 1.00 0.00 N ATOM 437 CA GLU A 32 -3.600 -12.778 -6.848 1.00 0.00 C ATOM 438 C GLU A 32 -4.514 -11.792 -6.124 1.00 0.00 C ATOM 439 O GLU A 32 -4.752 -11.915 -4.923 1.00 0.00 O ATOM 440 CB GLU A 32 -4.435 -13.901 -7.467 1.00 0.00 C ATOM 441 CG GLU A 32 -5.109 -13.512 -8.772 1.00 0.00 C ATOM 442 CD GLU A 32 -4.353 -14.008 -9.989 1.00 0.00 C ATOM 443 OE1 GLU A 32 -3.666 -15.045 -9.878 1.00 0.00 O ATOM 444 OE2 GLU A 32 -4.450 -13.360 -11.052 1.00 0.00 O ATOM 0 H GLU A 32 -2.987 -13.875 -5.169 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.075 -12.243 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.793 -14.764 -7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.198 -14.211 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.121 -13.916 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.198 -12.427 -8.821 1.00 0.00 H new ATOM 451 N GLY A 33 -5.024 -10.812 -6.866 1.00 0.00 N ATOM 452 CA GLY A 33 -5.906 -9.819 -6.282 1.00 0.00 C ATOM 453 C GLY A 33 -5.228 -8.473 -6.107 1.00 0.00 C ATOM 454 O GLY A 33 -4.050 -8.406 -5.760 1.00 0.00 O ATOM 0 H GLY A 33 -4.841 -10.689 -7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.785 -9.700 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.257 -10.174 -5.313 1.00 0.00 H new ATOM 458 N VAL A 34 -5.975 -7.398 -6.350 1.00 0.00 N ATOM 459 CA VAL A 34 -5.438 -6.048 -6.218 1.00 0.00 C ATOM 460 C VAL A 34 -4.848 -5.824 -4.829 1.00 0.00 C ATOM 461 O VAL A 34 -3.653 -5.569 -4.685 1.00 0.00 O ATOM 462 CB VAL A 34 -6.523 -4.986 -6.486 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.971 -3.581 -6.282 1.00 0.00 C ATOM 464 CG2 VAL A 34 -7.078 -5.146 -7.892 1.00 0.00 C ATOM 0 H VAL A 34 -6.952 -7.437 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.649 -5.945 -6.962 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.333 -5.134 -5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.756 -2.850 -6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.622 -3.473 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.140 -3.413 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.843 -4.390 -8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.273 -5.024 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.516 -6.138 -8.000 1.00 0.00 H new ATOM 474 N TYR A 35 -5.695 -5.923 -3.810 1.00 0.00 N ATOM 475 CA TYR A 35 -5.258 -5.734 -2.432 1.00 0.00 C ATOM 476 C TYR A 35 -4.966 -7.076 -1.766 1.00 0.00 C ATOM 477 O TYR A 35 -5.084 -7.215 -0.550 1.00 0.00 O ATOM 478 CB TYR A 35 -6.320 -4.976 -1.639 1.00 0.00 C ATOM 479 CG TYR A 35 -6.845 -3.756 -2.357 1.00 0.00 C ATOM 480 CD1 TYR A 35 -7.775 -3.879 -3.380 1.00 0.00 C ATOM 481 CD2 TYR A 35 -6.407 -2.486 -2.014 1.00 0.00 C ATOM 482 CE1 TYR A 35 -8.258 -2.764 -4.042 1.00 0.00 C ATOM 483 CE2 TYR A 35 -6.886 -1.365 -2.670 1.00 0.00 C ATOM 484 CZ TYR A 35 -7.811 -1.511 -3.681 1.00 0.00 C ATOM 485 OH TYR A 35 -8.289 -0.399 -4.336 1.00 0.00 O ATOM 0 H TYR A 35 -6.688 -6.133 -3.913 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.339 -5.148 -2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.151 -5.648 -1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.899 -4.672 -0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.127 -4.860 -3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.681 -2.370 -1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.981 -2.875 -4.837 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.537 -0.382 -2.391 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.874 0.405 -3.960 1.00 0.00 H new ATOM 495 N CYS A 36 -4.589 -8.062 -2.572 1.00 0.00 N ATOM 496 CA CYS A 36 -4.285 -9.392 -2.058 1.00 0.00 C ATOM 497 C CYS A 36 -5.503 -9.994 -1.367 1.00 0.00 C ATOM 498 O CYS A 36 -5.896 -9.558 -0.286 1.00 0.00 O ATOM 499 CB CYS A 36 -3.102 -9.327 -1.090 1.00 0.00 C ATOM 500 SG CYS A 36 -1.613 -10.184 -1.695 1.00 0.00 S ATOM 0 H CYS A 36 -4.487 -7.966 -3.582 1.00 0.00 H new ATOM 0 HA CYS A 36 -4.017 -10.033 -2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.857 -8.282 -0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.400 -9.764 -0.137 1.00 0.00 H new ATOM 505 N GLU A 37 -6.097 -10.998 -2.002 1.00 0.00 N ATOM 506 CA GLU A 37 -7.274 -11.664 -1.454 1.00 0.00 C ATOM 507 C GLU A 37 -7.751 -12.781 -2.379 1.00 0.00 C ATOM 508 O GLU A 37 -8.287 -13.791 -1.922 1.00 0.00 O ATOM 509 CB GLU A 37 -8.403 -10.653 -1.236 1.00 0.00 C ATOM 510 CG GLU A 37 -8.771 -9.873 -2.487 1.00 0.00 C ATOM 511 CD GLU A 37 -9.679 -8.695 -2.193 1.00 0.00 C ATOM 512 OE1 GLU A 37 -9.630 -8.176 -1.057 1.00 0.00 O ATOM 513 OE2 GLU A 37 -10.441 -8.292 -3.097 1.00 0.00 O ATOM 0 H GLU A 37 -5.783 -11.370 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.996 -12.104 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.286 -11.179 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.106 -9.953 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.861 -9.514 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.264 -10.540 -3.194 1.00 0.00 H new ATOM 520 N ILE A 38 -7.556 -12.592 -3.683 1.00 0.00 N ATOM 521 CA ILE A 38 -7.969 -13.584 -4.668 1.00 0.00 C ATOM 522 C ILE A 38 -6.856 -14.591 -4.936 1.00 0.00 C ATOM 523 O ILE A 38 -6.137 -14.994 -4.023 1.00 0.00 O ATOM 524 CB ILE A 38 -8.374 -12.916 -5.997 1.00 0.00 C ATOM 525 CG1 ILE A 38 -9.381 -11.793 -5.743 1.00 0.00 C ATOM 526 CG2 ILE A 38 -8.952 -13.946 -6.955 1.00 0.00 C ATOM 527 CD1 ILE A 38 -10.474 -12.170 -4.768 1.00 0.00 C ATOM 0 H ILE A 38 -7.115 -11.762 -4.079 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.831 -14.105 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.484 -12.484 -6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.851 -10.920 -5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.835 -11.502 -6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.233 -13.458 -7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.205 -14.714 -7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.833 -14.406 -6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.151 -11.326 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.030 -13.024 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.030 -12.433 -3.808 1.00 0.00 H new TER 539 ILE A 38 HETATM 540 C1 FUC A 39 5.796 -5.487 3.160 1.00 0.00 C HETATM 541 C2 FUC A 39 6.631 -6.202 4.220 1.00 0.00 C HETATM 542 C3 FUC A 39 5.957 -7.511 4.617 1.00 0.00 C HETATM 543 C4 FUC A 39 5.697 -8.353 3.372 1.00 0.00 C HETATM 544 C5 FUC A 39 4.902 -7.540 2.353 1.00 0.00 C HETATM 545 C6 FUC A 39 4.669 -8.297 1.060 1.00 0.00 C HETATM 546 O2 FUC A 39 6.770 -5.370 5.362 1.00 0.00 O HETATM 547 O3 FUC A 39 6.793 -8.227 5.514 1.00 0.00 O HETATM 548 O4 FUC A 39 6.932 -8.760 2.804 1.00 0.00 O HETATM 549 O5 FUC A 39 5.613 -6.333 2.022 1.00 0.00 O HETATM 0 HO4 FUC A 39 6.785 -9.536 2.224 1.00 0.00 H new HETATM 0 HO3 FUC A 39 7.379 -8.827 5.007 1.00 0.00 H new HETATM 0 HO2 FUC A 39 5.943 -4.862 5.500 1.00 0.00 H new HETATM 0 H63 FUC A 39 5.628 -8.552 0.610 1.00 0.00 H new HETATM 0 H62 FUC A 39 4.112 -9.210 1.268 1.00 0.00 H new HETATM 0 H61 FUC A 39 4.099 -7.673 0.371 1.00 0.00 H new HETATM 0 H5 FUC A 39 3.940 -7.324 2.817 1.00 0.00 H new HETATM 0 H4 FUC A 39 5.121 -9.236 3.650 1.00 0.00 H new HETATM 0 H3 FUC A 39 5.008 -7.293 5.108 1.00 0.00 H new HETATM 0 H2 FUC A 39 7.617 -6.419 3.810 1.00 0.00 H new