USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=11 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.713 USER MOD Single : A 9 THR OG1 : rot -19:sc= 0.138 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= -1.68! (180deg=-1.7!) 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 37:sc= 0.0434 USER MOD Single : A 24 LYS NZ :NH3+ -156:sc= 0.398 (180deg=-0.979) 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=0.000325 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.3) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.609) USER MOD Single : A 38 ASN : amide:sc= -6.21! K(o=-6.2!,f=-2.4) USER MOD Single : A 40 THR OG1 : rot -87:sc= -0.133 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 12.357 4.319 5.801 1.00 0.00 N ATOM 2 CA ASP A 1 11.850 3.821 4.490 1.00 0.00 C ATOM 3 C ASP A 1 12.453 2.450 4.175 1.00 0.00 C ATOM 4 O ASP A 1 12.932 2.208 3.084 1.00 0.00 O ATOM 5 CB ASP A 1 12.316 4.856 3.468 1.00 0.00 C ATOM 6 CG ASP A 1 11.714 4.528 2.102 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.503 4.609 1.976 1.00 0.00 O ATOM 8 OD2 ASP A 1 12.474 4.201 1.205 1.00 0.00 O ATOM 0 H1 ASP A 1 11.940 5.250 6.003 1.00 0.00 H new ATOM 0 H2 ASP A 1 12.092 3.651 6.552 1.00 0.00 H new ATOM 0 H3 ASP A 1 13.393 4.404 5.763 1.00 0.00 H new ATOM 0 HA ASP A 1 10.767 3.700 4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 1 12.012 5.855 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 1 13.404 4.858 3.407 1.00 0.00 H new ATOM 15 N ASP A 2 12.437 1.554 5.123 1.00 0.00 N ATOM 16 CA ASP A 2 13.013 0.195 4.881 1.00 0.00 C ATOM 17 C ASP A 2 11.981 -0.700 4.190 1.00 0.00 C ATOM 18 O ASP A 2 10.836 -0.772 4.592 1.00 0.00 O ATOM 19 CB ASP A 2 13.359 -0.365 6.280 1.00 0.00 C ATOM 20 CG ASP A 2 14.354 0.569 6.972 1.00 0.00 C ATOM 21 OD1 ASP A 2 14.023 1.730 7.151 1.00 0.00 O ATOM 22 OD2 ASP A 2 15.431 0.107 7.312 1.00 0.00 O ATOM 0 H ASP A 2 12.051 1.701 6.055 1.00 0.00 H new ATOM 0 HA ASP A 2 13.890 0.235 4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.454 -0.458 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.785 -1.364 6.188 1.00 0.00 H new ATOM 27 N GLY A 3 12.384 -1.393 3.159 1.00 0.00 N ATOM 28 CA GLY A 3 11.440 -2.297 2.442 1.00 0.00 C ATOM 29 C GLY A 3 12.033 -2.727 1.098 1.00 0.00 C ATOM 30 O GLY A 3 12.712 -1.971 0.433 1.00 0.00 O ATOM 0 H GLY A 3 13.331 -1.371 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.232 -3.175 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.490 -1.788 2.282 1.00 0.00 H new ATOM 34 N LEU A 4 11.778 -3.944 0.702 1.00 0.00 N ATOM 35 CA LEU A 4 12.315 -4.458 -0.593 1.00 0.00 C ATOM 36 C LEU A 4 11.181 -5.142 -1.373 1.00 0.00 C ATOM 37 O LEU A 4 10.063 -5.206 -0.901 1.00 0.00 O ATOM 38 CB LEU A 4 13.402 -5.470 -0.218 1.00 0.00 C ATOM 39 CG LEU A 4 14.348 -4.885 0.841 1.00 0.00 C ATOM 40 CD1 LEU A 4 15.125 -6.020 1.508 1.00 0.00 C ATOM 41 CD2 LEU A 4 15.338 -3.922 0.175 1.00 0.00 C ATOM 0 H LEU A 4 11.214 -4.613 1.226 1.00 0.00 H new ATOM 0 HA LEU A 4 12.719 -3.665 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.941 -6.381 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 4 13.970 -5.747 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 4 13.764 -4.347 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.797 -5.608 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.427 -6.708 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.706 -6.554 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.007 -3.509 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 4 15.921 -4.459 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 4 14.790 -3.112 -0.306 1.00 0.00 H new ATOM 53 N CYS A 5 11.438 -5.662 -2.557 1.00 0.00 N ATOM 54 CA CYS A 5 10.322 -6.334 -3.310 1.00 0.00 C ATOM 55 C CYS A 5 10.825 -7.554 -4.077 1.00 0.00 C ATOM 56 O CYS A 5 11.960 -7.621 -4.505 1.00 0.00 O ATOM 57 CB CYS A 5 9.764 -5.289 -4.283 1.00 0.00 C ATOM 58 SG CYS A 5 8.170 -5.867 -4.925 1.00 0.00 S ATOM 0 H CYS A 5 12.345 -5.652 -3.023 1.00 0.00 H new ATOM 0 HA CYS A 5 9.556 -6.690 -2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.640 -4.332 -3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.463 -5.128 -5.103 1.00 0.00 H new ATOM 63 N TYR A 6 9.959 -8.514 -4.261 1.00 0.00 N ATOM 64 CA TYR A 6 10.335 -9.747 -5.012 1.00 0.00 C ATOM 65 C TYR A 6 9.179 -10.112 -5.944 1.00 0.00 C ATOM 66 O TYR A 6 8.096 -9.558 -5.835 1.00 0.00 O ATOM 67 CB TYR A 6 10.616 -10.828 -3.948 1.00 0.00 C ATOM 68 CG TYR A 6 9.357 -11.288 -3.267 1.00 0.00 C ATOM 69 CD1 TYR A 6 8.605 -12.321 -3.824 1.00 0.00 C ATOM 70 CD2 TYR A 6 8.960 -10.698 -2.067 1.00 0.00 C ATOM 71 CE1 TYR A 6 7.446 -12.767 -3.182 1.00 0.00 C ATOM 72 CE2 TYR A 6 7.798 -11.138 -1.422 1.00 0.00 C ATOM 73 CZ TYR A 6 7.040 -12.174 -1.980 1.00 0.00 C ATOM 74 OH TYR A 6 5.896 -12.614 -1.345 1.00 0.00 O ATOM 0 H TYR A 6 8.998 -8.497 -3.920 1.00 0.00 H new ATOM 0 HA TYR A 6 11.220 -9.626 -5.637 1.00 0.00 H new ATOM 0 HB2 TYR A 6 11.106 -11.681 -4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.307 -10.433 -3.204 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.918 -12.777 -4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.549 -9.902 -1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.864 -13.568 -3.613 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.487 -10.679 -0.495 1.00 0.00 H new ATOM 0 HH TYR A 6 5.758 -12.097 -0.524 1.00 0.00 H new ATOM 84 N GLU A 7 9.390 -10.994 -6.884 1.00 0.00 N ATOM 85 CA GLU A 7 8.282 -11.317 -7.826 1.00 0.00 C ATOM 86 C GLU A 7 7.953 -12.806 -7.804 1.00 0.00 C ATOM 87 O GLU A 7 8.787 -13.642 -7.519 1.00 0.00 O ATOM 88 CB GLU A 7 8.822 -10.899 -9.199 1.00 0.00 C ATOM 89 CG GLU A 7 9.776 -11.940 -9.768 1.00 0.00 C ATOM 90 CD GLU A 7 10.589 -11.323 -10.906 1.00 0.00 C ATOM 91 OE1 GLU A 7 11.355 -10.412 -10.635 1.00 0.00 O ATOM 92 OE2 GLU A 7 10.432 -11.770 -12.030 1.00 0.00 O ATOM 0 H GLU A 7 10.264 -11.496 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 7 7.356 -10.805 -7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.990 -10.752 -9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.337 -9.942 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.443 -12.303 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.216 -12.801 -10.133 1.00 0.00 H new ATOM 99 N GLY A 8 6.730 -13.131 -8.120 1.00 0.00 N ATOM 100 CA GLY A 8 6.315 -14.558 -8.138 1.00 0.00 C ATOM 101 C GLY A 8 4.806 -14.704 -7.902 1.00 0.00 C ATOM 102 O GLY A 8 3.999 -14.203 -8.660 1.00 0.00 O ATOM 0 H GLY A 8 5.998 -12.465 -8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.580 -15.004 -9.097 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.860 -15.107 -7.370 1.00 0.00 H new ATOM 106 N THR A 9 4.421 -15.427 -6.876 1.00 0.00 N ATOM 107 CA THR A 9 2.975 -15.653 -6.615 1.00 0.00 C ATOM 108 C THR A 9 2.721 -15.948 -5.115 1.00 0.00 C ATOM 109 O THR A 9 1.751 -16.594 -4.768 1.00 0.00 O ATOM 110 CB THR A 9 2.690 -16.911 -7.421 1.00 0.00 C ATOM 111 OG1 THR A 9 2.975 -16.670 -8.790 1.00 0.00 O ATOM 112 CG2 THR A 9 1.226 -17.348 -7.267 1.00 0.00 C ATOM 0 H THR A 9 5.054 -15.869 -6.209 1.00 0.00 H new ATOM 0 HA THR A 9 2.358 -14.793 -6.876 1.00 0.00 H new ATOM 0 HB THR A 9 3.326 -17.712 -7.045 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.992 -15.704 -8.955 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.052 -18.250 -7.854 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.016 -17.552 -6.217 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.570 -16.553 -7.620 1.00 0.00 H new ATOM 120 N ASN A 10 3.601 -15.542 -4.225 1.00 0.00 N ATOM 121 CA ASN A 10 3.400 -15.883 -2.771 1.00 0.00 C ATOM 122 C ASN A 10 2.303 -15.060 -2.103 1.00 0.00 C ATOM 123 O ASN A 10 1.857 -15.372 -1.015 1.00 0.00 O ATOM 124 CB ASN A 10 4.751 -15.626 -2.120 1.00 0.00 C ATOM 125 CG ASN A 10 4.751 -16.199 -0.695 1.00 0.00 C ATOM 126 OD1 ASN A 10 4.860 -17.397 -0.519 1.00 0.00 O ATOM 127 ND2 ASN A 10 4.615 -15.404 0.342 1.00 0.00 N ATOM 0 H ASN A 10 4.438 -14.998 -4.435 1.00 0.00 H new ATOM 0 HA ASN A 10 3.066 -16.915 -2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.544 -16.087 -2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 10 4.956 -14.556 -2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.602 -15.793 1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.523 -14.398 0.204 1.00 0.00 H new ATOM 134 N CYS A 11 1.844 -14.048 -2.746 1.00 0.00 N ATOM 135 CA CYS A 11 0.741 -13.225 -2.164 1.00 0.00 C ATOM 136 C CYS A 11 -0.413 -13.173 -3.123 1.00 0.00 C ATOM 137 O CYS A 11 -1.214 -12.258 -3.111 1.00 0.00 O ATOM 138 CB CYS A 11 1.328 -11.836 -1.918 1.00 0.00 C ATOM 139 SG CYS A 11 2.327 -11.849 -0.406 1.00 0.00 S ATOM 0 H CYS A 11 2.178 -13.740 -3.659 1.00 0.00 H new ATOM 0 HA CYS A 11 0.361 -13.647 -1.233 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.941 -11.535 -2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.526 -11.103 -1.828 1.00 0.00 H new ATOM 144 N GLY A 12 -0.506 -14.151 -3.960 1.00 0.00 N ATOM 145 CA GLY A 12 -1.618 -14.152 -4.922 1.00 0.00 C ATOM 146 C GLY A 12 -1.363 -13.081 -5.981 1.00 0.00 C ATOM 147 O GLY A 12 -2.260 -12.655 -6.681 1.00 0.00 O ATOM 0 H GLY A 12 0.134 -14.943 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.708 -15.131 -5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.560 -13.957 -4.409 1.00 0.00 H new ATOM 151 N LYS A 13 -0.143 -12.627 -6.079 1.00 0.00 N ATOM 152 CA LYS A 13 0.194 -11.564 -7.060 1.00 0.00 C ATOM 153 C LYS A 13 0.547 -12.161 -8.409 1.00 0.00 C ATOM 154 O LYS A 13 1.562 -11.867 -9.004 1.00 0.00 O ATOM 155 CB LYS A 13 1.369 -10.847 -6.438 1.00 0.00 C ATOM 156 CG LYS A 13 2.649 -11.673 -6.588 1.00 0.00 C ATOM 157 CD LYS A 13 3.702 -11.174 -5.610 1.00 0.00 C ATOM 158 CE LYS A 13 5.091 -11.331 -6.231 1.00 0.00 C ATOM 159 NZ LYS A 13 5.737 -12.440 -5.473 1.00 0.00 N ATOM 0 H LYS A 13 0.641 -12.953 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.639 -10.889 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.500 -9.874 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.171 -10.662 -5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.437 -12.726 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.023 -11.598 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.518 -10.128 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.643 -11.736 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.023 -11.568 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.666 -10.409 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.667 -12.649 -5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.857 -12.157 -4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.138 -13.289 -5.521 1.00 0.00 H new ATOM 173 N VAL A 14 -0.317 -12.977 -8.896 1.00 0.00 N ATOM 174 CA VAL A 14 -0.093 -13.594 -10.236 1.00 0.00 C ATOM 175 C VAL A 14 -0.171 -12.485 -11.295 1.00 0.00 C ATOM 176 O VAL A 14 -1.229 -11.947 -11.555 1.00 0.00 O ATOM 177 CB VAL A 14 -1.234 -14.610 -10.403 1.00 0.00 C ATOM 178 CG1 VAL A 14 -1.317 -15.076 -11.863 1.00 0.00 C ATOM 179 CG2 VAL A 14 -0.992 -15.827 -9.499 1.00 0.00 C ATOM 0 H VAL A 14 -1.181 -13.255 -8.430 1.00 0.00 H new ATOM 0 HA VAL A 14 0.876 -14.082 -10.338 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.170 -14.128 -10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.129 -15.796 -11.970 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.505 -14.218 -12.509 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.376 -15.546 -12.149 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.806 -16.541 -9.625 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.049 -16.300 -9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.949 -15.505 -8.459 1.00 0.00 H new ATOM 189 N GLY A 15 0.934 -12.134 -11.907 1.00 0.00 N ATOM 190 CA GLY A 15 0.886 -11.049 -12.942 1.00 0.00 C ATOM 191 C GLY A 15 1.424 -9.731 -12.356 1.00 0.00 C ATOM 192 O GLY A 15 1.846 -8.856 -13.087 1.00 0.00 O ATOM 0 H GLY A 15 1.854 -12.543 -11.740 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.478 -11.338 -13.810 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.139 -10.911 -13.287 1.00 0.00 H new ATOM 196 N LYS A 16 1.432 -9.579 -11.049 1.00 0.00 N ATOM 197 CA LYS A 16 1.968 -8.316 -10.452 1.00 0.00 C ATOM 198 C LYS A 16 3.146 -8.663 -9.511 1.00 0.00 C ATOM 199 O LYS A 16 3.891 -9.581 -9.799 1.00 0.00 O ATOM 200 CB LYS A 16 0.800 -7.672 -9.713 1.00 0.00 C ATOM 201 CG LYS A 16 -0.403 -7.504 -10.658 1.00 0.00 C ATOM 202 CD LYS A 16 -1.533 -6.749 -9.939 1.00 0.00 C ATOM 203 CE LYS A 16 -2.814 -7.589 -9.970 1.00 0.00 C ATOM 204 NZ LYS A 16 -3.868 -6.706 -9.394 1.00 0.00 N ATOM 0 H LYS A 16 1.094 -10.269 -10.379 1.00 0.00 H new ATOM 0 HA LYS A 16 2.358 -7.622 -11.197 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.517 -8.288 -8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.101 -6.701 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.101 -6.958 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.758 -8.481 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.247 -6.542 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.705 -5.787 -10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.064 -7.890 -10.987 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.701 -8.502 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.776 -7.212 -9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.606 -6.441 -8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.958 -5.848 -9.975 1.00 0.00 H new ATOM 218 N TYR A 17 3.359 -7.964 -8.403 1.00 0.00 N ATOM 219 CA TYR A 17 4.524 -8.333 -7.528 1.00 0.00 C ATOM 220 C TYR A 17 4.181 -8.092 -6.040 1.00 0.00 C ATOM 221 O TYR A 17 3.095 -7.632 -5.731 1.00 0.00 O ATOM 222 CB TYR A 17 5.676 -7.447 -7.983 1.00 0.00 C ATOM 223 CG TYR A 17 5.775 -7.450 -9.490 1.00 0.00 C ATOM 224 CD1 TYR A 17 5.022 -6.571 -10.277 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.635 -8.358 -10.094 1.00 0.00 C ATOM 226 CE1 TYR A 17 5.142 -6.614 -11.673 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.760 -8.405 -11.477 1.00 0.00 C ATOM 228 CZ TYR A 17 6.013 -7.532 -12.274 1.00 0.00 C ATOM 229 OH TYR A 17 6.134 -7.576 -13.648 1.00 0.00 O ATOM 0 H TYR A 17 2.792 -7.180 -8.080 1.00 0.00 H new ATOM 0 HA TYR A 17 4.782 -9.388 -7.616 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.525 -6.429 -7.624 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.611 -7.803 -7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.352 -5.863 -9.811 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.213 -9.035 -9.482 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.563 -5.939 -12.286 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.433 -9.114 -11.936 1.00 0.00 H new ATOM 0 HH TYR A 17 6.781 -8.269 -13.897 1.00 0.00 H new ATOM 239 N CYS A 18 5.073 -8.405 -5.100 1.00 0.00 N ATOM 240 CA CYS A 18 4.723 -8.200 -3.660 1.00 0.00 C ATOM 241 C CYS A 18 5.900 -7.593 -2.894 1.00 0.00 C ATOM 242 O CYS A 18 7.028 -7.628 -3.339 1.00 0.00 O ATOM 243 CB CYS A 18 4.411 -9.609 -3.128 1.00 0.00 C ATOM 244 SG CYS A 18 2.840 -10.179 -3.813 1.00 0.00 S ATOM 0 H CYS A 18 6.003 -8.784 -5.276 1.00 0.00 H new ATOM 0 HA CYS A 18 3.885 -7.513 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.210 -10.298 -3.402 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.361 -9.595 -2.039 1.00 0.00 H new ATOM 249 N CYS A 19 5.638 -7.032 -1.744 1.00 0.00 N ATOM 250 CA CYS A 19 6.724 -6.419 -0.942 1.00 0.00 C ATOM 251 C CYS A 19 6.628 -6.840 0.535 1.00 0.00 C ATOM 252 O CYS A 19 5.606 -6.659 1.182 1.00 0.00 O ATOM 253 CB CYS A 19 6.530 -4.908 -1.100 1.00 0.00 C ATOM 254 SG CYS A 19 4.773 -4.507 -0.980 1.00 0.00 S ATOM 0 H CYS A 19 4.709 -6.974 -1.327 1.00 0.00 H new ATOM 0 HA CYS A 19 7.710 -6.739 -1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.088 -4.377 -0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.924 -4.579 -2.062 1.00 0.00 H new ATOM 259 N SER A 20 7.698 -7.395 1.063 1.00 0.00 N ATOM 260 CA SER A 20 7.726 -7.823 2.495 1.00 0.00 C ATOM 261 C SER A 20 9.185 -8.089 2.885 1.00 0.00 C ATOM 262 O SER A 20 9.874 -8.815 2.195 1.00 0.00 O ATOM 263 CB SER A 20 6.894 -9.114 2.572 1.00 0.00 C ATOM 264 OG SER A 20 7.372 -10.034 1.601 1.00 0.00 O ATOM 0 H SER A 20 8.563 -7.570 0.551 1.00 0.00 H new ATOM 0 HA SER A 20 7.321 -7.071 3.172 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.966 -9.549 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.841 -8.894 2.395 1.00 0.00 H new ATOM 0 HG SER A 20 8.348 -9.965 1.538 1.00 0.00 H new ATOM 270 N PRO A 21 9.627 -7.496 3.963 1.00 0.00 N ATOM 271 CA PRO A 21 11.028 -7.698 4.393 1.00 0.00 C ATOM 272 C PRO A 21 11.205 -9.059 5.071 1.00 0.00 C ATOM 273 O PRO A 21 12.294 -9.438 5.453 1.00 0.00 O ATOM 274 CB PRO A 21 11.282 -6.541 5.356 1.00 0.00 C ATOM 275 CG PRO A 21 9.918 -6.154 5.879 1.00 0.00 C ATOM 276 CD PRO A 21 8.888 -6.606 4.866 1.00 0.00 C ATOM 0 HA PRO A 21 11.734 -7.704 3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.944 -6.842 6.168 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.761 -5.704 4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.733 -6.621 6.846 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.858 -5.076 6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.060 -7.127 5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.462 -5.759 4.328 1.00 0.00 H new ATOM 284 N ILE A 22 10.142 -9.799 5.208 1.00 0.00 N ATOM 285 CA ILE A 22 10.244 -11.153 5.848 1.00 0.00 C ATOM 286 C ILE A 22 9.005 -12.001 5.546 1.00 0.00 C ATOM 287 O ILE A 22 8.782 -13.045 6.127 1.00 0.00 O ATOM 288 CB ILE A 22 10.380 -10.848 7.344 1.00 0.00 C ATOM 289 CG1 ILE A 22 10.848 -12.094 8.125 1.00 0.00 C ATOM 290 CG2 ILE A 22 9.024 -10.387 7.869 1.00 0.00 C ATOM 291 CD1 ILE A 22 10.749 -11.833 9.636 1.00 0.00 C ATOM 0 H ILE A 22 9.205 -9.531 4.907 1.00 0.00 H new ATOM 0 HA ILE A 22 11.084 -11.737 5.472 1.00 0.00 H new ATOM 0 HB ILE A 22 11.128 -10.067 7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.235 -12.954 7.855 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.876 -12.338 7.856 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.102 -10.165 8.933 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.712 -9.490 7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.287 -11.176 7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.081 -12.717 10.180 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.381 -10.985 9.901 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.715 -11.611 9.900 1.00 0.00 H new ATOM 303 N GLY A 23 8.224 -11.546 4.631 1.00 0.00 N ATOM 304 CA GLY A 23 6.987 -12.287 4.226 1.00 0.00 C ATOM 305 C GLY A 23 5.893 -12.093 5.270 1.00 0.00 C ATOM 306 O GLY A 23 4.887 -12.776 5.261 1.00 0.00 O ATOM 0 H GLY A 23 8.381 -10.674 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.642 -11.930 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.210 -13.348 4.115 1.00 0.00 H new ATOM 310 N LYS A 24 6.077 -11.171 6.168 1.00 0.00 N ATOM 311 CA LYS A 24 5.036 -10.943 7.209 1.00 0.00 C ATOM 312 C LYS A 24 3.979 -9.940 6.728 1.00 0.00 C ATOM 313 O LYS A 24 2.819 -10.036 7.078 1.00 0.00 O ATOM 314 CB LYS A 24 5.770 -10.419 8.442 1.00 0.00 C ATOM 315 CG LYS A 24 6.240 -8.980 8.213 1.00 0.00 C ATOM 316 CD LYS A 24 6.949 -8.464 9.468 1.00 0.00 C ATOM 317 CE LYS A 24 6.005 -8.532 10.676 1.00 0.00 C ATOM 318 NZ LYS A 24 4.799 -7.752 10.279 1.00 0.00 N ATOM 0 H LYS A 24 6.897 -10.567 6.229 1.00 0.00 H new ATOM 0 HA LYS A 24 4.500 -11.865 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.111 -10.459 9.309 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.626 -11.057 8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.916 -8.939 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.388 -8.342 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.842 -9.059 9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.278 -7.437 9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.745 -9.563 10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.473 -8.108 11.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.311 -7.409 11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.087 -6.941 9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.156 -8.361 9.734 1.00 0.00 H new ATOM 332 N TYR A 25 4.373 -8.973 5.939 1.00 0.00 N ATOM 333 CA TYR A 25 3.390 -7.961 5.449 1.00 0.00 C ATOM 334 C TYR A 25 2.664 -8.455 4.194 1.00 0.00 C ATOM 335 O TYR A 25 1.482 -8.225 4.028 1.00 0.00 O ATOM 336 CB TYR A 25 4.213 -6.711 5.130 1.00 0.00 C ATOM 337 CG TYR A 25 4.566 -5.981 6.406 1.00 0.00 C ATOM 338 CD1 TYR A 25 3.623 -5.145 7.018 1.00 0.00 C ATOM 339 CD2 TYR A 25 5.836 -6.132 6.972 1.00 0.00 C ATOM 340 CE1 TYR A 25 3.950 -4.464 8.199 1.00 0.00 C ATOM 341 CE2 TYR A 25 6.166 -5.450 8.154 1.00 0.00 C ATOM 342 CZ TYR A 25 5.221 -4.618 8.766 1.00 0.00 C ATOM 343 OH TYR A 25 5.543 -3.947 9.929 1.00 0.00 O ATOM 0 H TYR A 25 5.331 -8.841 5.614 1.00 0.00 H new ATOM 0 HA TYR A 25 2.620 -7.766 6.195 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.123 -6.991 4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.648 -6.053 4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.643 -5.025 6.580 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.564 -6.774 6.499 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.222 -3.821 8.671 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.147 -5.567 8.590 1.00 0.00 H new ATOM 0 HH TYR A 25 6.463 -4.165 10.188 1.00 0.00 H new ATOM 353 N CYS A 26 3.362 -9.120 3.303 1.00 0.00 N ATOM 354 CA CYS A 26 2.711 -9.613 2.042 1.00 0.00 C ATOM 355 C CYS A 26 1.798 -8.526 1.451 1.00 0.00 C ATOM 356 O CYS A 26 0.590 -8.666 1.427 1.00 0.00 O ATOM 357 CB CYS A 26 1.881 -10.843 2.461 1.00 0.00 C ATOM 358 SG CYS A 26 0.953 -11.475 1.035 1.00 0.00 S ATOM 0 H CYS A 26 4.353 -9.343 3.393 1.00 0.00 H new ATOM 0 HA CYS A 26 3.446 -9.863 1.277 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.538 -11.620 2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.194 -10.573 3.263 1.00 0.00 H new ATOM 363 N VAL A 27 2.367 -7.449 0.962 1.00 0.00 N ATOM 364 CA VAL A 27 1.527 -6.364 0.360 1.00 0.00 C ATOM 365 C VAL A 27 1.859 -6.275 -1.125 1.00 0.00 C ATOM 366 O VAL A 27 2.975 -6.004 -1.496 1.00 0.00 O ATOM 367 CB VAL A 27 1.945 -5.085 1.078 1.00 0.00 C ATOM 368 CG1 VAL A 27 1.127 -3.917 0.531 1.00 0.00 C ATOM 369 CG2 VAL A 27 1.683 -5.233 2.578 1.00 0.00 C ATOM 0 H VAL A 27 3.372 -7.275 0.954 1.00 0.00 H new ATOM 0 HA VAL A 27 0.456 -6.540 0.463 1.00 0.00 H new ATOM 0 HB VAL A 27 3.007 -4.900 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.420 -2.998 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.310 -3.814 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.067 -4.104 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.982 -4.319 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.621 -5.413 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.259 -6.072 2.967 1.00 0.00 H new ATOM 379 N CYS A 28 0.916 -6.552 -1.982 1.00 0.00 N ATOM 380 CA CYS A 28 1.241 -6.548 -3.439 1.00 0.00 C ATOM 381 C CYS A 28 0.488 -5.481 -4.227 1.00 0.00 C ATOM 382 O CYS A 28 -0.514 -4.945 -3.798 1.00 0.00 O ATOM 383 CB CYS A 28 0.823 -7.946 -3.898 1.00 0.00 C ATOM 384 SG CYS A 28 1.463 -9.175 -2.740 1.00 0.00 S ATOM 0 H CYS A 28 -0.050 -6.778 -1.745 1.00 0.00 H new ATOM 0 HA CYS A 28 2.292 -6.316 -3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.264 -8.013 -3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.205 -8.141 -4.900 1.00 0.00 H new ATOM 389 N TYR A 29 0.995 -5.184 -5.398 1.00 0.00 N ATOM 390 CA TYR A 29 0.369 -4.168 -6.275 1.00 0.00 C ATOM 391 C TYR A 29 0.621 -4.539 -7.729 1.00 0.00 C ATOM 392 O TYR A 29 1.324 -5.485 -8.010 1.00 0.00 O ATOM 393 CB TYR A 29 1.108 -2.886 -6.014 1.00 0.00 C ATOM 394 CG TYR A 29 0.909 -2.413 -4.621 1.00 0.00 C ATOM 395 CD1 TYR A 29 1.666 -2.964 -3.601 1.00 0.00 C ATOM 396 CD2 TYR A 29 0.003 -1.391 -4.363 1.00 0.00 C ATOM 397 CE1 TYR A 29 1.521 -2.494 -2.300 1.00 0.00 C ATOM 398 CE2 TYR A 29 -0.155 -0.915 -3.065 1.00 0.00 C ATOM 399 CZ TYR A 29 0.607 -1.466 -2.025 1.00 0.00 C ATOM 400 OH TYR A 29 0.460 -0.997 -0.736 1.00 0.00 O ATOM 0 H TYR A 29 1.834 -5.617 -5.784 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.702 -4.092 -6.087 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.172 -3.035 -6.200 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.767 -2.120 -6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.367 -3.757 -3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.578 -0.967 -5.169 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.111 -2.920 -1.502 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.862 -0.124 -2.860 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.213 -0.285 -0.722 1.00 0.00 H new ATOM 410 N ASP A 30 0.088 -3.793 -8.657 1.00 0.00 N ATOM 411 CA ASP A 30 0.339 -4.112 -10.085 1.00 0.00 C ATOM 412 C ASP A 30 1.686 -3.560 -10.563 1.00 0.00 C ATOM 413 O ASP A 30 2.432 -4.240 -11.241 1.00 0.00 O ATOM 414 CB ASP A 30 -0.829 -3.500 -10.850 1.00 0.00 C ATOM 415 CG ASP A 30 -0.638 -1.988 -11.013 1.00 0.00 C ATOM 416 OD1 ASP A 30 -0.529 -1.313 -10.003 1.00 0.00 O ATOM 417 OD2 ASP A 30 -0.602 -1.534 -12.145 1.00 0.00 O ATOM 0 H ASP A 30 -0.507 -2.982 -8.487 1.00 0.00 H new ATOM 0 HA ASP A 30 0.401 -5.188 -10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.913 -3.969 -11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.761 -3.699 -10.321 1.00 0.00 H new ATOM 422 N SER A 31 2.017 -2.348 -10.211 1.00 0.00 N ATOM 423 CA SER A 31 3.337 -1.789 -10.652 1.00 0.00 C ATOM 424 C SER A 31 4.423 -2.312 -9.713 1.00 0.00 C ATOM 425 O SER A 31 4.385 -2.015 -8.542 1.00 0.00 O ATOM 426 CB SER A 31 3.203 -0.276 -10.566 1.00 0.00 C ATOM 427 OG SER A 31 1.919 0.109 -11.042 1.00 0.00 O ATOM 0 H SER A 31 1.443 -1.724 -9.645 1.00 0.00 H new ATOM 0 HA SER A 31 3.608 -2.083 -11.666 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.336 0.055 -9.536 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.982 0.204 -11.158 1.00 0.00 H new ATOM 0 HG SER A 31 1.828 1.083 -10.987 1.00 0.00 H new ATOM 433 N LYS A 32 5.386 -3.090 -10.174 1.00 0.00 N ATOM 434 CA LYS A 32 6.426 -3.578 -9.212 1.00 0.00 C ATOM 435 C LYS A 32 6.935 -2.340 -8.455 1.00 0.00 C ATOM 436 O LYS A 32 7.200 -2.372 -7.269 1.00 0.00 O ATOM 437 CB LYS A 32 7.527 -4.276 -10.060 1.00 0.00 C ATOM 438 CG LYS A 32 8.466 -3.261 -10.727 1.00 0.00 C ATOM 439 CD LYS A 32 9.760 -3.983 -11.154 1.00 0.00 C ATOM 440 CE LYS A 32 9.483 -4.801 -12.429 1.00 0.00 C ATOM 441 NZ LYS A 32 10.674 -5.681 -12.584 1.00 0.00 N ATOM 0 H LYS A 32 5.492 -3.397 -11.141 1.00 0.00 H new ATOM 0 HA LYS A 32 6.062 -4.298 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.107 -4.943 -9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.058 -4.894 -10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.981 -2.812 -11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.697 -2.450 -10.036 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.552 -3.257 -11.337 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.106 -4.638 -10.355 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.569 -5.387 -12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.356 -4.152 -13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.561 -6.271 -13.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.528 -5.095 -12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.766 -6.292 -11.747 1.00 0.00 H new ATOM 455 N ALA A 33 7.006 -1.224 -9.140 1.00 0.00 N ATOM 456 CA ALA A 33 7.405 0.029 -8.482 1.00 0.00 C ATOM 457 C ALA A 33 6.428 0.332 -7.354 1.00 0.00 C ATOM 458 O ALA A 33 6.835 0.649 -6.272 1.00 0.00 O ATOM 459 CB ALA A 33 7.306 1.102 -9.566 1.00 0.00 C ATOM 0 H ALA A 33 6.800 -1.141 -10.136 1.00 0.00 H new ATOM 0 HA ALA A 33 8.407 -0.021 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.590 2.068 -9.149 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.976 0.851 -10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.282 1.153 -9.935 1.00 0.00 H new ATOM 465 N ILE A 34 5.131 0.223 -7.582 1.00 0.00 N ATOM 466 CA ILE A 34 4.186 0.500 -6.484 1.00 0.00 C ATOM 467 C ILE A 34 4.488 -0.416 -5.315 1.00 0.00 C ATOM 468 O ILE A 34 4.243 -0.107 -4.170 1.00 0.00 O ATOM 469 CB ILE A 34 2.838 0.255 -7.091 1.00 0.00 C ATOM 470 CG1 ILE A 34 2.454 1.472 -7.930 1.00 0.00 C ATOM 471 CG2 ILE A 34 1.799 0.051 -5.991 1.00 0.00 C ATOM 472 CD1 ILE A 34 0.953 1.445 -8.158 1.00 0.00 C ATOM 0 H ILE A 34 4.709 -0.042 -8.472 1.00 0.00 H new ATOM 0 HA ILE A 34 4.249 1.512 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 34 2.873 -0.639 -7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.743 2.391 -7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.982 1.457 -8.883 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.822 -0.126 -6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.079 -0.808 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.753 0.942 -5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.660 2.308 -8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.681 0.530 -8.684 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.438 1.478 -7.198 1.00 0.00 H new ATOM 484 N CYS A 35 5.054 -1.530 -5.612 1.00 0.00 N ATOM 485 CA CYS A 35 5.430 -2.480 -4.524 1.00 0.00 C ATOM 486 C CYS A 35 6.432 -1.755 -3.637 1.00 0.00 C ATOM 487 O CYS A 35 6.137 -1.409 -2.524 1.00 0.00 O ATOM 488 CB CYS A 35 6.085 -3.696 -5.196 1.00 0.00 C ATOM 489 SG CYS A 35 6.783 -4.785 -3.929 1.00 0.00 S ATOM 0 H CYS A 35 5.279 -1.838 -6.558 1.00 0.00 H new ATOM 0 HA CYS A 35 4.579 -2.808 -3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.348 -4.237 -5.790 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.868 -3.369 -5.880 1.00 0.00 H new ATOM 494 N ASN A 36 7.603 -1.475 -4.133 1.00 0.00 N ATOM 495 CA ASN A 36 8.588 -0.716 -3.288 1.00 0.00 C ATOM 496 C ASN A 36 7.969 0.614 -2.791 1.00 0.00 C ATOM 497 O ASN A 36 7.993 0.931 -1.618 1.00 0.00 O ATOM 498 CB ASN A 36 9.782 -0.434 -4.224 1.00 0.00 C ATOM 499 CG ASN A 36 10.811 0.436 -3.496 1.00 0.00 C ATOM 500 OD1 ASN A 36 10.623 1.629 -3.356 1.00 0.00 O ATOM 501 ND2 ASN A 36 11.898 -0.112 -3.023 1.00 0.00 N ATOM 0 H ASN A 36 7.925 -1.729 -5.067 1.00 0.00 H new ATOM 0 HA ASN A 36 8.882 -1.277 -2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.241 -1.372 -4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.438 0.070 -5.127 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.588 0.461 -2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.057 -1.113 -3.140 1.00 0.00 H new ATOM 508 N LYS A 37 7.461 1.396 -3.701 1.00 0.00 N ATOM 509 CA LYS A 37 6.872 2.736 -3.383 1.00 0.00 C ATOM 510 C LYS A 37 5.634 2.707 -2.461 1.00 0.00 C ATOM 511 O LYS A 37 5.715 3.008 -1.288 1.00 0.00 O ATOM 512 CB LYS A 37 6.484 3.292 -4.752 1.00 0.00 C ATOM 513 CG LYS A 37 6.212 4.800 -4.660 1.00 0.00 C ATOM 514 CD LYS A 37 4.841 5.049 -4.021 1.00 0.00 C ATOM 515 CE LYS A 37 4.204 6.310 -4.626 1.00 0.00 C ATOM 516 NZ LYS A 37 5.211 7.397 -4.438 1.00 0.00 N ATOM 0 H LYS A 37 7.427 1.155 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 37 7.593 3.334 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.284 3.103 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.597 2.778 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.991 5.283 -4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.245 5.245 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.192 4.189 -4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.948 5.167 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.975 6.166 -5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.266 6.554 -4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.732 8.320 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.690 7.272 -3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.912 7.357 -5.205 1.00 0.00 H new ATOM 530 N ASN A 38 4.477 2.412 -3.013 1.00 0.00 N ATOM 531 CA ASN A 38 3.222 2.426 -2.244 1.00 0.00 C ATOM 532 C ASN A 38 3.222 1.443 -1.101 1.00 0.00 C ATOM 533 O ASN A 38 2.543 1.632 -0.110 1.00 0.00 O ATOM 534 CB ASN A 38 2.199 2.055 -3.278 1.00 0.00 C ATOM 535 CG ASN A 38 1.874 3.272 -4.138 1.00 0.00 C ATOM 536 OD1 ASN A 38 1.152 4.155 -3.722 1.00 0.00 O ATOM 537 ND2 ASN A 38 2.426 3.372 -5.307 1.00 0.00 N ATOM 0 H ASN A 38 4.365 2.157 -3.994 1.00 0.00 H new ATOM 0 HA ASN A 38 3.041 3.388 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.576 1.246 -3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.294 1.688 -2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.255 4.196 -5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.032 2.627 -5.651 1.00 0.00 H new ATOM 544 N CYS A 39 3.950 0.389 -1.232 1.00 0.00 N ATOM 545 CA CYS A 39 3.956 -0.626 -0.123 1.00 0.00 C ATOM 546 C CYS A 39 4.181 0.044 1.238 1.00 0.00 C ATOM 547 O CYS A 39 3.676 -0.403 2.249 1.00 0.00 O ATOM 548 CB CYS A 39 5.109 -1.569 -0.405 1.00 0.00 C ATOM 549 SG CYS A 39 4.661 -2.658 -1.779 1.00 0.00 S ATOM 0 H CYS A 39 4.538 0.172 -2.037 1.00 0.00 H new ATOM 0 HA CYS A 39 2.998 -1.145 -0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.007 -1.002 -0.652 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.338 -2.159 0.483 1.00 0.00 H new ATOM 554 N THR A 40 4.934 1.109 1.269 1.00 0.00 N ATOM 555 CA THR A 40 5.191 1.803 2.567 1.00 0.00 C ATOM 556 C THR A 40 3.972 2.636 2.969 1.00 0.00 C ATOM 557 O THR A 40 4.054 3.324 3.974 1.00 0.00 O ATOM 558 CB THR A 40 6.416 2.697 2.326 1.00 0.00 C ATOM 559 OG1 THR A 40 6.275 3.356 1.076 1.00 0.00 O ATOM 560 CG2 THR A 40 7.704 1.849 2.322 1.00 0.00 C ATOM 561 OXT THR A 40 2.976 2.571 2.267 1.00 0.00 O ATOM 0 H THR A 40 5.382 1.529 0.455 1.00 0.00 H new ATOM 0 HA THR A 40 5.373 1.099 3.379 1.00 0.00 H new ATOM 0 HB THR A 40 6.484 3.434 3.126 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.624 2.782 0.362 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.565 2.495 2.150 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.813 1.348 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.646 1.103 1.529 1.00 0.00 H new TER 569 THR A 40