USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 174:sc= 0.666 (180deg=0.594) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.991 USER MOD Single : A 9 THR OG1 : rot -20:sc= 0.288 USER MOD Single : A 10 ASN : amide:sc=-0.00794 X(o=-0.0079,f=-0.0079) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= -5.66! (180deg=-6.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 150:sc= -0.0607 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00251 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc=-0.00508 X(o=-0.0051,f=-0.16) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -6.83! K(o=-6.8!,f=-2.9) USER MOD Single : A 40 THR OG1 : rot -93:sc= 0.739 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 8.835 0.937 7.588 1.00 0.00 N ATOM 2 CA ASP A 1 7.868 0.119 6.799 1.00 0.00 C ATOM 3 C ASP A 1 8.423 -0.172 5.399 1.00 0.00 C ATOM 4 O ASP A 1 7.724 -0.669 4.538 1.00 0.00 O ATOM 5 CB ASP A 1 6.611 0.982 6.704 1.00 0.00 C ATOM 6 CG ASP A 1 5.914 1.028 8.065 1.00 0.00 C ATOM 7 OD1 ASP A 1 6.603 0.916 9.067 1.00 0.00 O ATOM 8 OD2 ASP A 1 4.703 1.176 8.083 1.00 0.00 O ATOM 0 H1 ASP A 1 8.402 1.210 8.493 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.694 0.380 7.769 1.00 0.00 H new ATOM 0 H3 ASP A 1 9.084 1.793 7.052 1.00 0.00 H new ATOM 0 HA ASP A 1 7.672 -0.846 7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 1 6.874 1.991 6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.935 0.576 5.952 1.00 0.00 H new ATOM 15 N ASP A 2 9.671 0.137 5.164 1.00 0.00 N ATOM 16 CA ASP A 2 10.264 -0.122 3.814 1.00 0.00 C ATOM 17 C ASP A 2 10.741 -1.575 3.721 1.00 0.00 C ATOM 18 O ASP A 2 10.442 -2.394 4.569 1.00 0.00 O ATOM 19 CB ASP A 2 11.467 0.845 3.696 1.00 0.00 C ATOM 20 CG ASP A 2 10.997 2.291 3.892 1.00 0.00 C ATOM 21 OD1 ASP A 2 9.819 2.486 4.149 1.00 0.00 O ATOM 22 OD2 ASP A 2 11.825 3.179 3.781 1.00 0.00 O ATOM 0 H ASP A 2 10.305 0.556 5.844 1.00 0.00 H new ATOM 0 HA ASP A 2 9.540 0.036 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.221 0.594 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.938 0.736 2.719 1.00 0.00 H new ATOM 27 N GLY A 3 11.487 -1.894 2.698 1.00 0.00 N ATOM 28 CA GLY A 3 11.999 -3.286 2.541 1.00 0.00 C ATOM 29 C GLY A 3 12.536 -3.493 1.123 1.00 0.00 C ATOM 30 O GLY A 3 13.245 -2.663 0.588 1.00 0.00 O ATOM 0 H GLY A 3 11.765 -1.247 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.789 -3.475 3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.201 -4.000 2.744 1.00 0.00 H new ATOM 34 N LEU A 4 12.212 -4.604 0.518 1.00 0.00 N ATOM 35 CA LEU A 4 12.706 -4.889 -0.863 1.00 0.00 C ATOM 36 C LEU A 4 11.539 -5.366 -1.741 1.00 0.00 C ATOM 37 O LEU A 4 10.421 -5.480 -1.274 1.00 0.00 O ATOM 38 CB LEU A 4 13.750 -6.005 -0.717 1.00 0.00 C ATOM 39 CG LEU A 4 14.677 -5.738 0.480 1.00 0.00 C ATOM 40 CD1 LEU A 4 15.397 -7.034 0.862 1.00 0.00 C ATOM 41 CD2 LEU A 4 15.718 -4.678 0.103 1.00 0.00 C ATOM 0 H LEU A 4 11.623 -5.332 0.923 1.00 0.00 H new ATOM 0 HA LEU A 4 13.135 -4.003 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 4 13.247 -6.963 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 4 14.341 -6.077 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 4 14.084 -5.381 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 4 16.055 -6.848 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.662 -7.792 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.987 -7.386 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.373 -4.492 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 4 16.311 -5.034 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.212 -3.753 -0.174 1.00 0.00 H new ATOM 53 N CYS A 5 11.776 -5.664 -3.000 1.00 0.00 N ATOM 54 CA CYS A 5 10.644 -6.149 -3.864 1.00 0.00 C ATOM 55 C CYS A 5 11.063 -7.404 -4.623 1.00 0.00 C ATOM 56 O CYS A 5 12.177 -7.526 -5.093 1.00 0.00 O ATOM 57 CB CYS A 5 10.314 -5.016 -4.842 1.00 0.00 C ATOM 58 SG CYS A 5 8.684 -5.322 -5.579 1.00 0.00 S ATOM 0 H CYS A 5 12.684 -5.595 -3.460 1.00 0.00 H new ATOM 0 HA CYS A 5 9.773 -6.405 -3.261 1.00 0.00 H new ATOM 0 HB2 CYS A 5 10.318 -4.058 -4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.074 -4.959 -5.621 1.00 0.00 H new ATOM 63 N TYR A 6 10.160 -8.335 -4.743 1.00 0.00 N ATOM 64 CA TYR A 6 10.462 -9.602 -5.469 1.00 0.00 C ATOM 65 C TYR A 6 9.261 -9.955 -6.344 1.00 0.00 C ATOM 66 O TYR A 6 8.191 -9.395 -6.179 1.00 0.00 O ATOM 67 CB TYR A 6 10.735 -10.657 -4.379 1.00 0.00 C ATOM 68 CG TYR A 6 9.471 -11.059 -3.666 1.00 0.00 C ATOM 69 CD1 TYR A 6 8.687 -12.089 -4.182 1.00 0.00 C ATOM 70 CD2 TYR A 6 9.100 -10.419 -2.484 1.00 0.00 C ATOM 71 CE1 TYR A 6 7.521 -12.481 -3.519 1.00 0.00 C ATOM 72 CE2 TYR A 6 7.932 -10.805 -1.815 1.00 0.00 C ATOM 73 CZ TYR A 6 7.141 -11.838 -2.335 1.00 0.00 C ATOM 74 OH TYR A 6 5.990 -12.223 -1.679 1.00 0.00 O ATOM 0 H TYR A 6 9.215 -8.273 -4.365 1.00 0.00 H new ATOM 0 HA TYR A 6 11.326 -9.532 -6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 6 11.194 -11.537 -4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.449 -10.259 -3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.981 -12.585 -5.095 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.714 -9.625 -2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.914 -13.279 -3.920 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.642 -10.308 -0.901 1.00 0.00 H new ATOM 0 HH TYR A 6 5.873 -11.676 -0.874 1.00 0.00 H new ATOM 84 N GLU A 7 9.416 -10.843 -7.286 1.00 0.00 N ATOM 85 CA GLU A 7 8.258 -11.164 -8.165 1.00 0.00 C ATOM 86 C GLU A 7 7.940 -12.655 -8.119 1.00 0.00 C ATOM 87 O GLU A 7 8.810 -13.488 -7.950 1.00 0.00 O ATOM 88 CB GLU A 7 8.710 -10.741 -9.566 1.00 0.00 C ATOM 89 CG GLU A 7 9.629 -11.775 -10.195 1.00 0.00 C ATOM 90 CD GLU A 7 10.368 -11.150 -11.380 1.00 0.00 C ATOM 91 OE1 GLU A 7 9.713 -10.830 -12.358 1.00 0.00 O ATOM 92 OE2 GLU A 7 11.576 -11.002 -11.289 1.00 0.00 O ATOM 0 H GLU A 7 10.278 -11.352 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 7 7.347 -10.652 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.837 -10.595 -10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.226 -9.783 -9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.345 -12.137 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.050 -12.637 -10.528 1.00 0.00 H new ATOM 99 N GLY A 8 6.691 -12.991 -8.290 1.00 0.00 N ATOM 100 CA GLY A 8 6.300 -14.427 -8.280 1.00 0.00 C ATOM 101 C GLY A 8 4.825 -14.616 -7.906 1.00 0.00 C ATOM 102 O GLY A 8 3.938 -14.169 -8.608 1.00 0.00 O ATOM 0 H GLY A 8 5.925 -12.333 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.483 -14.860 -9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.926 -14.969 -7.571 1.00 0.00 H new ATOM 106 N THR A 9 4.554 -15.320 -6.832 1.00 0.00 N ATOM 107 CA THR A 9 3.141 -15.587 -6.447 1.00 0.00 C ATOM 108 C THR A 9 3.007 -15.854 -4.926 1.00 0.00 C ATOM 109 O THR A 9 2.078 -16.510 -4.497 1.00 0.00 O ATOM 110 CB THR A 9 2.840 -16.872 -7.201 1.00 0.00 C ATOM 111 OG1 THR A 9 3.022 -16.657 -8.593 1.00 0.00 O ATOM 112 CG2 THR A 9 1.403 -17.344 -6.935 1.00 0.00 C ATOM 0 H THR A 9 5.255 -15.720 -6.208 1.00 0.00 H new ATOM 0 HA THR A 9 2.478 -14.751 -6.673 1.00 0.00 H new ATOM 0 HB THR A 9 3.524 -17.646 -6.852 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.987 -15.696 -8.783 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.215 -18.265 -7.487 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.272 -17.526 -5.868 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.702 -16.576 -7.261 1.00 0.00 H new ATOM 120 N ASN A 10 3.940 -15.412 -4.107 1.00 0.00 N ATOM 121 CA ASN A 10 3.845 -15.729 -2.635 1.00 0.00 C ATOM 122 C ASN A 10 2.771 -14.922 -1.911 1.00 0.00 C ATOM 123 O ASN A 10 2.391 -15.237 -0.799 1.00 0.00 O ATOM 124 CB ASN A 10 5.225 -15.418 -2.077 1.00 0.00 C ATOM 125 CG ASN A 10 5.339 -15.978 -0.650 1.00 0.00 C ATOM 126 OD1 ASN A 10 5.503 -17.169 -0.473 1.00 0.00 O ATOM 127 ND2 ASN A 10 5.237 -15.178 0.387 1.00 0.00 N ATOM 0 H ASN A 10 4.749 -14.856 -4.385 1.00 0.00 H new ATOM 0 HA ASN A 10 3.551 -16.768 -2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.994 -15.856 -2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.392 -14.341 -2.071 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.296 -15.558 1.332 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.099 -14.177 0.247 1.00 0.00 H new ATOM 134 N CYS A 11 2.261 -13.925 -2.534 1.00 0.00 N ATOM 135 CA CYS A 11 1.174 -13.115 -1.901 1.00 0.00 C ATOM 136 C CYS A 11 -0.031 -13.104 -2.793 1.00 0.00 C ATOM 137 O CYS A 11 -0.843 -12.200 -2.758 1.00 0.00 O ATOM 138 CB CYS A 11 1.736 -11.704 -1.720 1.00 0.00 C ATOM 139 SG CYS A 11 2.821 -11.643 -0.267 1.00 0.00 S ATOM 0 H CYS A 11 2.541 -13.619 -3.466 1.00 0.00 H new ATOM 0 HA CYS A 11 0.864 -13.529 -0.941 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.291 -11.409 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.919 -10.992 -1.603 1.00 0.00 H new ATOM 144 N GLY A 12 -0.154 -14.100 -3.603 1.00 0.00 N ATOM 145 CA GLY A 12 -1.314 -14.131 -4.505 1.00 0.00 C ATOM 146 C GLY A 12 -1.129 -13.057 -5.578 1.00 0.00 C ATOM 147 O GLY A 12 -2.067 -12.635 -6.224 1.00 0.00 O ATOM 0 H GLY A 12 0.491 -14.886 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.408 -15.114 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.232 -13.952 -3.946 1.00 0.00 H new ATOM 151 N LYS A 13 0.082 -12.597 -5.743 1.00 0.00 N ATOM 152 CA LYS A 13 0.366 -11.529 -6.735 1.00 0.00 C ATOM 153 C LYS A 13 0.644 -12.121 -8.104 1.00 0.00 C ATOM 154 O LYS A 13 1.616 -11.811 -8.762 1.00 0.00 O ATOM 155 CB LYS A 13 1.575 -10.822 -6.166 1.00 0.00 C ATOM 156 CG LYS A 13 2.842 -11.654 -6.391 1.00 0.00 C ATOM 157 CD LYS A 13 3.947 -11.189 -5.451 1.00 0.00 C ATOM 158 CE LYS A 13 5.195 -12.043 -5.672 1.00 0.00 C ATOM 159 NZ LYS A 13 6.317 -11.073 -5.749 1.00 0.00 N ATOM 0 H LYS A 13 0.896 -12.923 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.473 -10.849 -6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.687 -9.845 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.433 -10.648 -5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.629 -12.709 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.170 -11.559 -7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.175 -10.139 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.616 -11.270 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.340 -12.749 -4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.116 -12.628 -6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.220 -11.588 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.218 -10.495 -6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.300 -10.456 -4.912 1.00 0.00 H new ATOM 173 N VAL A 14 -0.237 -12.952 -8.534 1.00 0.00 N ATOM 174 CA VAL A 14 -0.093 -13.570 -9.882 1.00 0.00 C ATOM 175 C VAL A 14 -0.268 -12.471 -10.936 1.00 0.00 C ATOM 176 O VAL A 14 -1.354 -11.954 -11.121 1.00 0.00 O ATOM 177 CB VAL A 14 -1.218 -14.615 -9.966 1.00 0.00 C ATOM 178 CG1 VAL A 14 -1.403 -15.080 -11.417 1.00 0.00 C ATOM 179 CG2 VAL A 14 -0.877 -15.831 -9.089 1.00 0.00 C ATOM 0 H VAL A 14 -1.065 -13.241 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 14 0.878 -14.036 -10.049 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.141 -14.156 -9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.202 -15.820 -11.463 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.663 -14.226 -12.042 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.476 -15.525 -11.777 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.680 -16.565 -9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.054 -16.280 -9.435 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.763 -15.512 -8.053 1.00 0.00 H new ATOM 189 N GLY A 15 0.782 -12.096 -11.623 1.00 0.00 N ATOM 190 CA GLY A 15 0.638 -11.015 -12.651 1.00 0.00 C ATOM 191 C GLY A 15 1.171 -9.685 -12.093 1.00 0.00 C ATOM 192 O GLY A 15 1.549 -8.806 -12.843 1.00 0.00 O ATOM 0 H GLY A 15 1.720 -12.483 -11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.185 -11.285 -13.554 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.409 -10.907 -12.933 1.00 0.00 H new ATOM 196 N LYS A 16 1.228 -9.528 -10.788 1.00 0.00 N ATOM 197 CA LYS A 16 1.763 -8.254 -10.219 1.00 0.00 C ATOM 198 C LYS A 16 3.017 -8.571 -9.375 1.00 0.00 C ATOM 199 O LYS A 16 3.747 -9.486 -9.706 1.00 0.00 O ATOM 200 CB LYS A 16 0.638 -7.653 -9.386 1.00 0.00 C ATOM 201 CG LYS A 16 -0.641 -7.515 -10.229 1.00 0.00 C ATOM 202 CD LYS A 16 -1.715 -6.773 -9.421 1.00 0.00 C ATOM 203 CE LYS A 16 -2.754 -7.774 -8.910 1.00 0.00 C ATOM 204 NZ LYS A 16 -3.949 -6.950 -8.574 1.00 0.00 N ATOM 0 H LYS A 16 0.930 -10.221 -10.102 1.00 0.00 H new ATOM 0 HA LYS A 16 2.069 -7.541 -10.985 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.443 -8.284 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.939 -6.676 -9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.425 -6.972 -11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.006 -8.501 -10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.257 -6.249 -8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.197 -6.019 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.990 -8.520 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.387 -8.312 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.706 -7.566 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.696 -6.253 -7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.280 -6.455 -9.426 1.00 0.00 H new ATOM 218 N TYR A 17 3.309 -7.849 -8.303 1.00 0.00 N ATOM 219 CA TYR A 17 4.546 -8.183 -7.523 1.00 0.00 C ATOM 220 C TYR A 17 4.327 -7.888 -6.021 1.00 0.00 C ATOM 221 O TYR A 17 3.276 -7.403 -5.641 1.00 0.00 O ATOM 222 CB TYR A 17 5.645 -7.303 -8.107 1.00 0.00 C ATOM 223 CG TYR A 17 5.600 -7.340 -9.619 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.762 -6.487 -10.349 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.407 -8.252 -10.282 1.00 0.00 C ATOM 226 CE1 TYR A 17 4.747 -6.563 -11.751 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.398 -8.331 -11.669 1.00 0.00 C ATOM 228 CZ TYR A 17 5.567 -7.486 -12.410 1.00 0.00 C ATOM 229 OH TYR A 17 5.554 -7.563 -13.789 1.00 0.00 O ATOM 0 H TYR A 17 2.758 -7.067 -7.948 1.00 0.00 H new ATOM 0 HA TYR A 17 4.807 -9.239 -7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.523 -6.278 -7.758 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.619 -7.645 -7.757 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.131 -5.775 -9.837 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.050 -8.908 -9.714 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.103 -5.909 -12.321 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.032 -9.044 -12.174 1.00 0.00 H new ATOM 0 HH TYR A 17 6.182 -8.255 -14.084 1.00 0.00 H new ATOM 239 N CYS A 18 5.288 -8.185 -5.150 1.00 0.00 N ATOM 240 CA CYS A 18 5.058 -7.925 -3.694 1.00 0.00 C ATOM 241 C CYS A 18 6.287 -7.288 -3.041 1.00 0.00 C ATOM 242 O CYS A 18 7.378 -7.330 -3.566 1.00 0.00 O ATOM 243 CB CYS A 18 4.788 -9.309 -3.089 1.00 0.00 C ATOM 244 SG CYS A 18 3.174 -9.893 -3.641 1.00 0.00 S ATOM 0 H CYS A 18 6.195 -8.586 -5.388 1.00 0.00 H new ATOM 0 HA CYS A 18 4.234 -7.229 -3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.565 -10.010 -3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.816 -9.255 -2.001 1.00 0.00 H new ATOM 249 N CYS A 19 6.100 -6.694 -1.894 1.00 0.00 N ATOM 250 CA CYS A 19 7.227 -6.045 -1.181 1.00 0.00 C ATOM 251 C CYS A 19 7.178 -6.374 0.321 1.00 0.00 C ATOM 252 O CYS A 19 6.304 -5.917 1.045 1.00 0.00 O ATOM 253 CB CYS A 19 7.036 -4.545 -1.424 1.00 0.00 C ATOM 254 SG CYS A 19 5.289 -4.118 -1.248 1.00 0.00 S ATOM 0 H CYS A 19 5.200 -6.632 -1.418 1.00 0.00 H new ATOM 0 HA CYS A 19 8.197 -6.392 -1.538 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.634 -3.973 -0.714 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.386 -4.281 -2.422 1.00 0.00 H new ATOM 259 N SER A 20 8.111 -7.175 0.784 1.00 0.00 N ATOM 260 CA SER A 20 8.167 -7.533 2.232 1.00 0.00 C ATOM 261 C SER A 20 9.478 -8.276 2.506 1.00 0.00 C ATOM 262 O SER A 20 9.863 -9.132 1.735 1.00 0.00 O ATOM 263 CB SER A 20 6.948 -8.426 2.501 1.00 0.00 C ATOM 264 OG SER A 20 6.761 -9.309 1.403 1.00 0.00 O ATOM 0 H SER A 20 8.841 -7.598 0.211 1.00 0.00 H new ATOM 0 HA SER A 20 8.141 -6.659 2.883 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.095 -8.995 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.058 -7.813 2.645 1.00 0.00 H new ATOM 0 HG SER A 20 6.356 -10.144 1.720 1.00 0.00 H new ATOM 270 N PRO A 21 10.125 -7.944 3.590 1.00 0.00 N ATOM 271 CA PRO A 21 11.394 -8.625 3.925 1.00 0.00 C ATOM 272 C PRO A 21 11.103 -10.025 4.471 1.00 0.00 C ATOM 273 O PRO A 21 11.978 -10.861 4.589 1.00 0.00 O ATOM 274 CB PRO A 21 12.029 -7.714 4.973 1.00 0.00 C ATOM 275 CG PRO A 21 10.877 -6.963 5.596 1.00 0.00 C ATOM 276 CD PRO A 21 9.751 -6.934 4.587 1.00 0.00 C ATOM 0 HA PRO A 21 12.055 -8.774 3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.572 -8.293 5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.745 -7.030 4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.554 -7.451 6.516 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.179 -5.950 5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.794 -7.171 5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.649 -5.948 4.134 1.00 0.00 H new ATOM 284 N ILE A 22 9.868 -10.276 4.785 1.00 0.00 N ATOM 285 CA ILE A 22 9.461 -11.613 5.310 1.00 0.00 C ATOM 286 C ILE A 22 7.931 -11.709 5.224 1.00 0.00 C ATOM 287 O ILE A 22 7.296 -10.923 4.548 1.00 0.00 O ATOM 288 CB ILE A 22 10.015 -11.636 6.753 1.00 0.00 C ATOM 289 CG1 ILE A 22 10.111 -13.075 7.309 1.00 0.00 C ATOM 290 CG2 ILE A 22 9.119 -10.811 7.656 1.00 0.00 C ATOM 291 CD1 ILE A 22 10.597 -13.037 8.765 1.00 0.00 C ATOM 0 H ILE A 22 9.107 -9.603 4.700 1.00 0.00 H new ATOM 0 HA ILE A 22 9.844 -12.471 4.758 1.00 0.00 H new ATOM 0 HB ILE A 22 11.020 -11.215 6.728 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.138 -13.562 7.253 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.798 -13.665 6.702 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.512 -10.829 8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.088 -9.782 7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.112 -11.228 7.649 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.663 -14.053 9.153 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.580 -12.567 8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.894 -12.463 9.369 1.00 0.00 H new ATOM 303 N GLY A 23 7.340 -12.668 5.863 1.00 0.00 N ATOM 304 CA GLY A 23 5.850 -12.819 5.770 1.00 0.00 C ATOM 305 C GLY A 23 5.137 -11.916 6.771 1.00 0.00 C ATOM 306 O GLY A 23 3.935 -11.998 6.934 1.00 0.00 O ATOM 0 H GLY A 23 7.812 -13.358 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.520 -12.577 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.576 -13.858 5.954 1.00 0.00 H new ATOM 310 N LYS A 24 5.848 -11.059 7.439 1.00 0.00 N ATOM 311 CA LYS A 24 5.164 -10.168 8.422 1.00 0.00 C ATOM 312 C LYS A 24 4.667 -8.873 7.755 1.00 0.00 C ATOM 313 O LYS A 24 4.334 -7.911 8.421 1.00 0.00 O ATOM 314 CB LYS A 24 6.154 -9.906 9.557 1.00 0.00 C ATOM 315 CG LYS A 24 7.218 -8.898 9.142 1.00 0.00 C ATOM 316 CD LYS A 24 8.385 -8.978 10.131 1.00 0.00 C ATOM 317 CE LYS A 24 9.329 -7.793 9.922 1.00 0.00 C ATOM 318 NZ LYS A 24 10.594 -8.188 10.603 1.00 0.00 N ATOM 0 H LYS A 24 6.857 -10.933 7.354 1.00 0.00 H new ATOM 0 HA LYS A 24 4.268 -10.644 8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.619 -9.534 10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.631 -10.841 9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.565 -9.110 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.801 -7.891 9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.007 -8.977 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.926 -9.914 9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.494 -7.601 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.918 -6.879 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.294 -7.425 10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.407 -8.358 11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.965 -9.057 10.169 1.00 0.00 H new ATOM 332 N TYR A 25 4.577 -8.856 6.447 1.00 0.00 N ATOM 333 CA TYR A 25 4.059 -7.648 5.732 1.00 0.00 C ATOM 334 C TYR A 25 3.399 -8.055 4.411 1.00 0.00 C ATOM 335 O TYR A 25 2.255 -7.729 4.166 1.00 0.00 O ATOM 336 CB TYR A 25 5.259 -6.736 5.455 1.00 0.00 C ATOM 337 CG TYR A 25 5.652 -5.974 6.700 1.00 0.00 C ATOM 338 CD1 TYR A 25 4.830 -4.949 7.197 1.00 0.00 C ATOM 339 CD2 TYR A 25 6.844 -6.285 7.349 1.00 0.00 C ATOM 340 CE1 TYR A 25 5.209 -4.245 8.348 1.00 0.00 C ATOM 341 CE2 TYR A 25 7.225 -5.582 8.500 1.00 0.00 C ATOM 342 CZ TYR A 25 6.407 -4.563 9.000 1.00 0.00 C ATOM 343 OH TYR A 25 6.785 -3.871 10.136 1.00 0.00 O ATOM 0 H TYR A 25 4.842 -9.632 5.841 1.00 0.00 H new ATOM 0 HA TYR A 25 3.311 -7.136 6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.102 -7.332 5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.013 -6.036 4.657 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.907 -4.704 6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.477 -7.071 6.964 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.577 -3.458 8.732 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.150 -5.827 9.001 1.00 0.00 H new ATOM 0 HH TYR A 25 7.641 -4.219 10.462 1.00 0.00 H new ATOM 353 N CYS A 26 4.105 -8.766 3.563 1.00 0.00 N ATOM 354 CA CYS A 26 3.504 -9.195 2.247 1.00 0.00 C ATOM 355 C CYS A 26 2.586 -8.094 1.673 1.00 0.00 C ATOM 356 O CYS A 26 1.376 -8.210 1.727 1.00 0.00 O ATOM 357 CB CYS A 26 2.674 -10.457 2.569 1.00 0.00 C ATOM 358 SG CYS A 26 1.609 -10.859 1.157 1.00 0.00 S ATOM 0 H CYS A 26 5.066 -9.069 3.719 1.00 0.00 H new ATOM 0 HA CYS A 26 4.276 -9.385 1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.336 -11.294 2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.068 -10.289 3.459 1.00 0.00 H new ATOM 363 N VAL A 27 3.135 -7.030 1.120 1.00 0.00 N ATOM 364 CA VAL A 27 2.248 -5.958 0.554 1.00 0.00 C ATOM 365 C VAL A 27 2.447 -5.910 -0.959 1.00 0.00 C ATOM 366 O VAL A 27 3.520 -5.639 -1.437 1.00 0.00 O ATOM 367 CB VAL A 27 2.726 -4.657 1.194 1.00 0.00 C ATOM 368 CG1 VAL A 27 1.859 -3.506 0.687 1.00 0.00 C ATOM 369 CG2 VAL A 27 2.603 -4.759 2.716 1.00 0.00 C ATOM 0 H VAL A 27 4.138 -6.861 1.038 1.00 0.00 H new ATOM 0 HA VAL A 27 1.191 -6.132 0.753 1.00 0.00 H new ATOM 0 HB VAL A 27 3.768 -4.478 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.193 -2.572 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.945 -3.436 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.819 -3.688 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.945 -3.830 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.562 -4.934 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.215 -5.586 3.076 1.00 0.00 H new ATOM 379 N CYS A 28 1.429 -6.223 -1.719 1.00 0.00 N ATOM 380 CA CYS A 28 1.611 -6.262 -3.200 1.00 0.00 C ATOM 381 C CYS A 28 0.780 -5.227 -3.949 1.00 0.00 C ATOM 382 O CYS A 28 -0.181 -4.679 -3.447 1.00 0.00 O ATOM 383 CB CYS A 28 1.147 -7.671 -3.581 1.00 0.00 C ATOM 384 SG CYS A 28 1.890 -8.881 -2.466 1.00 0.00 S ATOM 0 H CYS A 28 0.493 -6.450 -1.384 1.00 0.00 H new ATOM 0 HA CYS A 28 2.643 -6.034 -3.468 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.060 -7.733 -3.528 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.429 -7.891 -4.611 1.00 0.00 H new ATOM 389 N TYR A 29 1.170 -4.976 -5.174 1.00 0.00 N ATOM 390 CA TYR A 29 0.457 -4.002 -6.029 1.00 0.00 C ATOM 391 C TYR A 29 0.582 -4.437 -7.483 1.00 0.00 C ATOM 392 O TYR A 29 1.265 -5.391 -7.780 1.00 0.00 O ATOM 393 CB TYR A 29 1.204 -2.705 -5.892 1.00 0.00 C ATOM 394 CG TYR A 29 1.116 -2.173 -4.507 1.00 0.00 C ATOM 395 CD1 TYR A 29 1.958 -2.676 -3.530 1.00 0.00 C ATOM 396 CD2 TYR A 29 0.229 -1.142 -4.221 1.00 0.00 C ATOM 397 CE1 TYR A 29 1.917 -2.150 -2.243 1.00 0.00 C ATOM 398 CE2 TYR A 29 0.175 -0.609 -2.938 1.00 0.00 C ATOM 399 CZ TYR A 29 1.022 -1.111 -1.939 1.00 0.00 C ATOM 400 OH TYR A 29 0.978 -0.586 -0.664 1.00 0.00 O ATOM 0 H TYR A 29 1.973 -5.421 -5.619 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.593 -3.922 -5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.250 -2.855 -6.160 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.798 -1.974 -6.591 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.645 -3.475 -3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.418 -0.755 -4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.573 -2.540 -1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.517 0.189 -2.711 1.00 0.00 H new ATOM 0 HH TYR A 29 0.305 0.125 -0.626 1.00 0.00 H new ATOM 410 N ASP A 30 -0.039 -3.741 -8.393 1.00 0.00 N ATOM 411 CA ASP A 30 0.086 -4.129 -9.821 1.00 0.00 C ATOM 412 C ASP A 30 1.376 -3.588 -10.451 1.00 0.00 C ATOM 413 O ASP A 30 2.057 -4.289 -11.174 1.00 0.00 O ATOM 414 CB ASP A 30 -1.156 -3.573 -10.504 1.00 0.00 C ATOM 415 CG ASP A 30 -1.004 -2.070 -10.765 1.00 0.00 C ATOM 416 OD1 ASP A 30 -0.858 -1.334 -9.804 1.00 0.00 O ATOM 417 OD2 ASP A 30 -1.034 -1.685 -11.922 1.00 0.00 O ATOM 0 H ASP A 30 -0.624 -2.926 -8.210 1.00 0.00 H new ATOM 0 HA ASP A 30 0.151 -5.211 -9.934 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.324 -4.096 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.031 -3.752 -9.880 1.00 0.00 H new ATOM 422 N SER A 31 1.721 -2.359 -10.185 1.00 0.00 N ATOM 423 CA SER A 31 2.982 -1.804 -10.779 1.00 0.00 C ATOM 424 C SER A 31 4.171 -2.270 -9.938 1.00 0.00 C ATOM 425 O SER A 31 4.243 -1.935 -8.778 1.00 0.00 O ATOM 426 CB SER A 31 2.830 -0.291 -10.738 1.00 0.00 C ATOM 427 OG SER A 31 1.497 0.057 -11.092 1.00 0.00 O ATOM 0 H SER A 31 1.196 -1.717 -9.591 1.00 0.00 H new ATOM 0 HA SER A 31 3.153 -2.140 -11.802 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.063 0.083 -9.741 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.535 0.176 -11.426 1.00 0.00 H new ATOM 0 HG SER A 31 1.395 1.031 -11.065 1.00 0.00 H new ATOM 433 N LYS A 32 5.107 -3.034 -10.473 1.00 0.00 N ATOM 434 CA LYS A 32 6.257 -3.465 -9.612 1.00 0.00 C ATOM 435 C LYS A 32 6.802 -2.192 -8.943 1.00 0.00 C ATOM 436 O LYS A 32 7.179 -2.178 -7.784 1.00 0.00 O ATOM 437 CB LYS A 32 7.286 -4.144 -10.561 1.00 0.00 C ATOM 438 CG LYS A 32 8.107 -3.110 -11.343 1.00 0.00 C ATOM 439 CD LYS A 32 9.316 -3.812 -11.995 1.00 0.00 C ATOM 440 CE LYS A 32 8.830 -4.631 -13.205 1.00 0.00 C ATOM 441 NZ LYS A 32 10.071 -5.168 -13.828 1.00 0.00 N ATOM 0 H LYS A 32 5.123 -3.366 -11.437 1.00 0.00 H new ATOM 0 HA LYS A 32 5.996 -4.176 -8.828 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.957 -4.775 -9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.761 -4.796 -11.260 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.489 -2.639 -12.107 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.447 -2.318 -10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.053 -3.074 -12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.807 -4.464 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.163 -5.436 -12.895 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.274 -4.008 -13.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.822 -5.739 -14.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.683 -4.379 -14.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.576 -5.762 -13.140 1.00 0.00 H new ATOM 455 N ALA A 33 6.778 -1.097 -9.663 1.00 0.00 N ATOM 456 CA ALA A 33 7.205 0.185 -9.082 1.00 0.00 C ATOM 457 C ALA A 33 6.327 0.506 -7.880 1.00 0.00 C ATOM 458 O ALA A 33 6.824 0.871 -6.851 1.00 0.00 O ATOM 459 CB ALA A 33 6.981 1.220 -10.185 1.00 0.00 C ATOM 0 H ALA A 33 6.476 -1.050 -10.636 1.00 0.00 H new ATOM 0 HA ALA A 33 8.242 0.169 -8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.278 2.205 -9.825 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.579 0.957 -11.058 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.926 1.237 -10.460 1.00 0.00 H new ATOM 465 N ILE A 34 5.018 0.361 -7.983 1.00 0.00 N ATOM 466 CA ILE A 34 4.174 0.657 -6.812 1.00 0.00 C ATOM 467 C ILE A 34 4.606 -0.214 -5.649 1.00 0.00 C ATOM 468 O ILE A 34 4.463 0.126 -4.496 1.00 0.00 O ATOM 469 CB ILE A 34 2.781 0.370 -7.283 1.00 0.00 C ATOM 470 CG1 ILE A 34 2.300 1.550 -8.125 1.00 0.00 C ATOM 471 CG2 ILE A 34 1.852 0.197 -6.084 1.00 0.00 C ATOM 472 CD1 ILE A 34 0.786 1.495 -8.215 1.00 0.00 C ATOM 0 H ILE A 34 4.522 0.055 -8.820 1.00 0.00 H new ATOM 0 HA ILE A 34 4.250 1.682 -6.450 1.00 0.00 H new ATOM 0 HB ILE A 34 2.774 -0.546 -7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.618 2.490 -7.675 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.740 1.508 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.841 -0.011 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.202 -0.633 -5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.849 1.112 -5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.426 2.332 -8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.483 0.558 -8.682 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.360 1.556 -7.214 1.00 0.00 H new ATOM 484 N CYS A 35 5.172 -1.324 -5.963 1.00 0.00 N ATOM 485 CA CYS A 35 5.677 -2.225 -4.886 1.00 0.00 C ATOM 486 C CYS A 35 6.725 -1.433 -4.117 1.00 0.00 C ATOM 487 O CYS A 35 6.512 -1.047 -3.000 1.00 0.00 O ATOM 488 CB CYS A 35 6.314 -3.441 -5.576 1.00 0.00 C ATOM 489 SG CYS A 35 7.376 -4.324 -4.400 1.00 0.00 S ATOM 0 H CYS A 35 5.314 -1.659 -6.916 1.00 0.00 H new ATOM 0 HA CYS A 35 4.896 -2.565 -4.206 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.537 -4.107 -5.950 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.899 -3.118 -6.437 1.00 0.00 H new ATOM 494 N ASN A 36 7.839 -1.138 -4.722 1.00 0.00 N ATOM 495 CA ASN A 36 8.864 -0.314 -3.996 1.00 0.00 C ATOM 496 C ASN A 36 8.249 1.014 -3.489 1.00 0.00 C ATOM 497 O ASN A 36 8.362 1.371 -2.333 1.00 0.00 O ATOM 498 CB ASN A 36 9.957 -0.029 -5.040 1.00 0.00 C ATOM 499 CG ASN A 36 10.723 -1.319 -5.337 1.00 0.00 C ATOM 500 OD1 ASN A 36 10.371 -2.057 -6.236 1.00 0.00 O ATOM 501 ND2 ASN A 36 11.765 -1.624 -4.613 1.00 0.00 N ATOM 0 H ASN A 36 8.089 -1.421 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 36 9.251 -0.833 -3.119 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.509 0.360 -5.955 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.640 0.735 -4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.284 -2.482 -4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.061 -1.005 -3.858 1.00 0.00 H new ATOM 508 N LYS A 37 7.641 1.750 -4.375 1.00 0.00 N ATOM 509 CA LYS A 37 7.036 3.083 -4.048 1.00 0.00 C ATOM 510 C LYS A 37 5.895 3.044 -3.010 1.00 0.00 C ATOM 511 O LYS A 37 6.078 3.390 -1.862 1.00 0.00 O ATOM 512 CB LYS A 37 6.496 3.573 -5.392 1.00 0.00 C ATOM 513 CG LYS A 37 6.154 5.069 -5.321 1.00 0.00 C ATOM 514 CD LYS A 37 4.832 5.271 -4.572 1.00 0.00 C ATOM 515 CE LYS A 37 4.076 6.465 -5.166 1.00 0.00 C ATOM 516 NZ LYS A 37 4.441 7.621 -4.299 1.00 0.00 N ATOM 0 H LYS A 37 7.532 1.476 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 37 7.785 3.728 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.236 3.400 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.607 3.003 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.954 5.609 -4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.078 5.481 -6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.222 4.371 -4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.026 5.442 -3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.367 6.641 -6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.000 6.293 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.962 8.478 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.146 7.428 -3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.471 7.765 -4.328 1.00 0.00 H new ATOM 530 N ASN A 38 4.703 2.684 -3.432 1.00 0.00 N ATOM 531 CA ASN A 38 3.533 2.681 -2.536 1.00 0.00 C ATOM 532 C ASN A 38 3.703 1.756 -1.357 1.00 0.00 C ATOM 533 O ASN A 38 3.142 1.973 -0.301 1.00 0.00 O ATOM 534 CB ASN A 38 2.430 2.213 -3.440 1.00 0.00 C ATOM 535 CG ASN A 38 1.961 3.369 -4.314 1.00 0.00 C ATOM 536 OD1 ASN A 38 1.243 4.241 -3.864 1.00 0.00 O ATOM 537 ND2 ASN A 38 2.383 3.436 -5.538 1.00 0.00 N ATOM 0 H ASN A 38 4.503 2.387 -4.387 1.00 0.00 H new ATOM 0 HA ASN A 38 3.352 3.656 -2.083 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.781 1.391 -4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.598 1.831 -2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.113 4.223 -6.128 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.985 2.702 -5.911 1.00 0.00 H new ATOM 544 N CYS A 39 4.452 0.721 -1.528 1.00 0.00 N ATOM 545 CA CYS A 39 4.632 -0.237 -0.383 1.00 0.00 C ATOM 546 C CYS A 39 5.023 0.501 0.904 1.00 0.00 C ATOM 547 O CYS A 39 4.756 0.039 1.996 1.00 0.00 O ATOM 548 CB CYS A 39 5.755 -1.175 -0.781 1.00 0.00 C ATOM 549 SG CYS A 39 5.166 -2.285 -2.083 1.00 0.00 S ATOM 0 H CYS A 39 4.947 0.484 -2.388 1.00 0.00 H new ATOM 0 HA CYS A 39 3.701 -0.768 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.614 -0.605 -1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.087 -1.751 0.082 1.00 0.00 H new ATOM 554 N THR A 40 5.657 1.637 0.786 1.00 0.00 N ATOM 555 CA THR A 40 6.067 2.393 2.010 1.00 0.00 C ATOM 556 C THR A 40 4.855 3.093 2.628 1.00 0.00 C ATOM 557 O THR A 40 3.996 3.525 1.876 1.00 0.00 O ATOM 558 CB THR A 40 7.109 3.417 1.539 1.00 0.00 C ATOM 559 OG1 THR A 40 6.630 4.069 0.374 1.00 0.00 O ATOM 560 CG2 THR A 40 8.446 2.716 1.224 1.00 0.00 C ATOM 561 OXT THR A 40 4.805 3.186 3.844 1.00 0.00 O ATOM 0 H THR A 40 5.909 2.075 -0.100 1.00 0.00 H new ATOM 0 HA THR A 40 6.478 1.735 2.776 1.00 0.00 H new ATOM 0 HB THR A 40 7.274 4.147 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.954 3.597 -0.422 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.175 3.455 0.891 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.816 2.219 2.121 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.293 1.977 0.437 1.00 0.00 H new TER 569 THR A 40