USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=13 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+ -172:sc= -0.983! (180deg=-1.36!) USER MOD Single : A 6 TYR OH : rot -129:sc= -0.994 USER MOD Single : A 9 THR OG1 : rot -18:sc= 0.159 USER MOD Single : A 10 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.013) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -5.75! (180deg=-6.34!) 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 28:sc= 0.347 USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= 0.271 (180deg=-1.16) 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 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.00996 K(o=0.01,f=-0.78) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.511) USER MOD Single : A 38 ASN :FLIP amide:sc= -2.45 F(o=-6.1!,f=-2.4) USER MOD Single : A 40 THR OG1 : rot -91:sc= 0.327 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.090 4.315 2.687 1.00 0.00 N ATOM 2 CA ASP A 1 10.755 3.616 1.548 1.00 0.00 C ATOM 3 C ASP A 1 11.686 2.510 2.061 1.00 0.00 C ATOM 4 O ASP A 1 12.447 1.932 1.310 1.00 0.00 O ATOM 5 CB ASP A 1 11.553 4.709 0.830 1.00 0.00 C ATOM 6 CG ASP A 1 12.671 5.225 1.741 1.00 0.00 C ATOM 7 OD1 ASP A 1 12.466 5.252 2.943 1.00 0.00 O ATOM 8 OD2 ASP A 1 13.714 5.584 1.219 1.00 0.00 O ATOM 0 H1 ASP A 1 9.366 4.965 2.320 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.642 3.614 3.311 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.798 4.854 3.225 1.00 0.00 H new ATOM 0 HA ASP A 1 10.037 3.131 0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 1 11.978 4.314 -0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 1 10.892 5.530 0.551 1.00 0.00 H new ATOM 15 N ASP A 2 11.634 2.214 3.332 1.00 0.00 N ATOM 16 CA ASP A 2 12.524 1.145 3.888 1.00 0.00 C ATOM 17 C ASP A 2 11.895 -0.235 3.662 1.00 0.00 C ATOM 18 O ASP A 2 10.934 -0.604 4.308 1.00 0.00 O ATOM 19 CB ASP A 2 12.638 1.444 5.401 1.00 0.00 C ATOM 20 CG ASP A 2 13.222 2.844 5.598 1.00 0.00 C ATOM 21 OD1 ASP A 2 14.435 2.954 5.670 1.00 0.00 O ATOM 22 OD2 ASP A 2 12.446 3.783 5.674 1.00 0.00 O ATOM 0 H ASP A 2 11.017 2.662 4.010 1.00 0.00 H new ATOM 0 HA ASP A 2 13.501 1.138 3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.657 1.377 5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.274 0.701 5.883 1.00 0.00 H new ATOM 27 N GLY A 3 12.438 -1.000 2.753 1.00 0.00 N ATOM 28 CA GLY A 3 11.887 -2.360 2.482 1.00 0.00 C ATOM 29 C GLY A 3 12.441 -2.901 1.164 1.00 0.00 C ATOM 30 O GLY A 3 13.206 -2.248 0.481 1.00 0.00 O ATOM 0 H GLY A 3 13.243 -0.740 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.146 -3.035 3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.799 -2.317 2.437 1.00 0.00 H new ATOM 34 N LEU A 4 12.060 -4.098 0.808 1.00 0.00 N ATOM 35 CA LEU A 4 12.555 -4.710 -0.460 1.00 0.00 C ATOM 36 C LEU A 4 11.367 -5.301 -1.240 1.00 0.00 C ATOM 37 O LEU A 4 10.241 -5.241 -0.785 1.00 0.00 O ATOM 38 CB LEU A 4 13.521 -5.821 -0.033 1.00 0.00 C ATOM 39 CG LEU A 4 14.503 -5.310 1.035 1.00 0.00 C ATOM 40 CD1 LEU A 4 15.141 -6.502 1.749 1.00 0.00 C ATOM 41 CD2 LEU A 4 15.606 -4.479 0.369 1.00 0.00 C ATOM 0 H LEU A 4 11.421 -4.684 1.346 1.00 0.00 H new ATOM 0 HA LEU A 4 13.047 -3.983 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.958 -6.668 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 4 14.075 -6.181 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 4 13.963 -4.692 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.837 -6.142 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.364 -7.099 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.677 -7.115 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.299 -4.119 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 4 16.144 -5.098 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.160 -3.629 -0.147 1.00 0.00 H new ATOM 53 N CYS A 5 11.592 -5.879 -2.401 1.00 0.00 N ATOM 54 CA CYS A 5 10.436 -6.469 -3.163 1.00 0.00 C ATOM 55 C CYS A 5 10.871 -7.727 -3.911 1.00 0.00 C ATOM 56 O CYS A 5 12.015 -7.881 -4.290 1.00 0.00 O ATOM 57 CB CYS A 5 9.971 -5.392 -4.153 1.00 0.00 C ATOM 58 SG CYS A 5 8.358 -5.864 -4.837 1.00 0.00 S ATOM 0 H CYS A 5 12.505 -5.968 -2.847 1.00 0.00 H new ATOM 0 HA CYS A 5 9.631 -6.759 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.898 -4.427 -3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.700 -5.280 -4.955 1.00 0.00 H new ATOM 63 N TYR A 6 9.946 -8.622 -4.129 1.00 0.00 N ATOM 64 CA TYR A 6 10.270 -9.882 -4.861 1.00 0.00 C ATOM 65 C TYR A 6 9.145 -10.172 -5.856 1.00 0.00 C ATOM 66 O TYR A 6 8.076 -9.592 -5.769 1.00 0.00 O ATOM 67 CB TYR A 6 10.413 -10.977 -3.783 1.00 0.00 C ATOM 68 CG TYR A 6 9.078 -11.391 -3.223 1.00 0.00 C ATOM 69 CD1 TYR A 6 8.347 -12.396 -3.853 1.00 0.00 C ATOM 70 CD2 TYR A 6 8.589 -10.790 -2.064 1.00 0.00 C ATOM 71 CE1 TYR A 6 7.118 -12.803 -3.329 1.00 0.00 C ATOM 72 CE2 TYR A 6 7.356 -11.191 -1.533 1.00 0.00 C ATOM 73 CZ TYR A 6 6.619 -12.198 -2.168 1.00 0.00 C ATOM 74 OH TYR A 6 5.404 -12.597 -1.648 1.00 0.00 O ATOM 0 H TYR A 6 8.975 -8.535 -3.830 1.00 0.00 H new ATOM 0 HA TYR A 6 11.192 -9.823 -5.439 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.912 -11.846 -4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.048 -10.611 -2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.732 -12.861 -4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.161 -10.015 -1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.553 -13.583 -3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.975 -10.725 -0.636 1.00 0.00 H new ATOM 0 HH TYR A 6 4.839 -11.811 -1.495 1.00 0.00 H new ATOM 84 N GLU A 7 9.371 -11.027 -6.818 1.00 0.00 N ATOM 85 CA GLU A 7 8.297 -11.288 -7.818 1.00 0.00 C ATOM 86 C GLU A 7 7.942 -12.772 -7.868 1.00 0.00 C ATOM 87 O GLU A 7 8.769 -13.634 -7.647 1.00 0.00 O ATOM 88 CB GLU A 7 8.895 -10.819 -9.150 1.00 0.00 C ATOM 89 CG GLU A 7 9.851 -11.851 -9.729 1.00 0.00 C ATOM 90 CD GLU A 7 10.717 -11.195 -10.806 1.00 0.00 C ATOM 91 OE1 GLU A 7 11.584 -10.415 -10.447 1.00 0.00 O ATOM 92 OE2 GLU A 7 10.499 -11.485 -11.970 1.00 0.00 O ATOM 0 H GLU A 7 10.238 -11.548 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 7 7.370 -10.769 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.092 -10.626 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.422 -9.877 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.481 -12.261 -8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.291 -12.683 -10.155 1.00 0.00 H new ATOM 99 N GLY A 8 6.708 -13.066 -8.178 1.00 0.00 N ATOM 100 CA GLY A 8 6.280 -14.490 -8.267 1.00 0.00 C ATOM 101 C GLY A 8 4.770 -14.646 -8.038 1.00 0.00 C ATOM 102 O GLY A 8 3.964 -14.131 -8.789 1.00 0.00 O ATOM 0 H GLY A 8 5.978 -12.381 -8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.542 -14.888 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.823 -15.080 -7.528 1.00 0.00 H new ATOM 106 N THR A 9 4.381 -15.395 -7.031 1.00 0.00 N ATOM 107 CA THR A 9 2.932 -15.632 -6.787 1.00 0.00 C ATOM 108 C THR A 9 2.659 -15.966 -5.296 1.00 0.00 C ATOM 109 O THR A 9 1.677 -16.607 -4.979 1.00 0.00 O ATOM 110 CB THR A 9 2.661 -16.870 -7.627 1.00 0.00 C ATOM 111 OG1 THR A 9 2.952 -16.589 -8.989 1.00 0.00 O ATOM 112 CG2 THR A 9 1.197 -17.318 -7.496 1.00 0.00 C ATOM 0 H THR A 9 5.010 -15.850 -6.370 1.00 0.00 H new ATOM 0 HA THR A 9 2.316 -14.766 -7.030 1.00 0.00 H new ATOM 0 HB THR A 9 3.299 -17.677 -7.268 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.983 -15.619 -9.124 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.032 -18.205 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.979 -17.550 -6.453 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.540 -16.517 -7.834 1.00 0.00 H new ATOM 120 N ASN A 10 3.534 -15.597 -4.384 1.00 0.00 N ATOM 121 CA ASN A 10 3.310 -15.976 -2.942 1.00 0.00 C ATOM 122 C ASN A 10 2.220 -15.154 -2.260 1.00 0.00 C ATOM 123 O ASN A 10 1.758 -15.489 -1.187 1.00 0.00 O ATOM 124 CB ASN A 10 4.655 -15.759 -2.267 1.00 0.00 C ATOM 125 CG ASN A 10 4.644 -16.409 -0.874 1.00 0.00 C ATOM 126 OD1 ASN A 10 4.751 -17.614 -0.764 1.00 0.00 O ATOM 127 ND2 ASN A 10 4.501 -15.672 0.204 1.00 0.00 N ATOM 0 H ASN A 10 4.381 -15.059 -4.569 1.00 0.00 H new ATOM 0 HA ASN A 10 2.958 -17.005 -2.870 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.451 -16.190 -2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 10 4.862 -14.692 -2.180 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.481 -16.112 1.124 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.410 -14.659 0.121 1.00 0.00 H new ATOM 134 N CYS A 11 1.787 -14.115 -2.878 1.00 0.00 N ATOM 135 CA CYS A 11 0.694 -13.287 -2.283 1.00 0.00 C ATOM 136 C CYS A 11 -0.443 -13.175 -3.255 1.00 0.00 C ATOM 137 O CYS A 11 -1.210 -12.232 -3.234 1.00 0.00 O ATOM 138 CB CYS A 11 1.306 -11.918 -1.988 1.00 0.00 C ATOM 139 SG CYS A 11 2.281 -11.993 -0.462 1.00 0.00 S ATOM 0 H CYS A 11 2.136 -13.788 -3.779 1.00 0.00 H new ATOM 0 HA CYS A 11 0.295 -13.732 -1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.939 -11.606 -2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.518 -11.171 -1.890 1.00 0.00 H new ATOM 144 N GLY A 12 -0.558 -14.130 -4.115 1.00 0.00 N ATOM 145 CA GLY A 12 -1.655 -14.062 -5.093 1.00 0.00 C ATOM 146 C GLY A 12 -1.341 -12.960 -6.106 1.00 0.00 C ATOM 147 O GLY A 12 -2.209 -12.468 -6.800 1.00 0.00 O ATOM 0 H GLY A 12 0.052 -14.945 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.769 -15.020 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.599 -13.854 -4.589 1.00 0.00 H new ATOM 151 N LYS A 13 -0.102 -12.556 -6.167 1.00 0.00 N ATOM 152 CA LYS A 13 0.303 -11.472 -7.094 1.00 0.00 C ATOM 153 C LYS A 13 0.660 -12.033 -8.458 1.00 0.00 C ATOM 154 O LYS A 13 1.689 -11.747 -9.032 1.00 0.00 O ATOM 155 CB LYS A 13 1.494 -10.844 -6.408 1.00 0.00 C ATOM 156 CG LYS A 13 2.736 -11.728 -6.563 1.00 0.00 C ATOM 157 CD LYS A 13 3.779 -11.343 -5.521 1.00 0.00 C ATOM 158 CE LYS A 13 5.025 -12.206 -5.707 1.00 0.00 C ATOM 159 NZ LYS A 13 6.167 -11.260 -5.592 1.00 0.00 N ATOM 0 H LYS A 13 0.656 -12.940 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.489 -10.748 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.687 -9.859 -6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.275 -10.698 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.463 -12.777 -6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.151 -11.615 -7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.036 -10.288 -5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.375 -11.480 -4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.081 -12.987 -4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.020 -12.703 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.050 -11.795 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.228 -10.683 -6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.023 -10.640 -4.770 1.00 0.00 H new ATOM 173 N VAL A 14 -0.221 -12.813 -8.977 1.00 0.00 N ATOM 174 CA VAL A 14 -0.005 -13.402 -10.331 1.00 0.00 C ATOM 175 C VAL A 14 -0.048 -12.270 -11.364 1.00 0.00 C ATOM 176 O VAL A 14 -1.094 -11.714 -11.635 1.00 0.00 O ATOM 177 CB VAL A 14 -1.173 -14.385 -10.525 1.00 0.00 C ATOM 178 CG1 VAL A 14 -1.291 -14.792 -12.002 1.00 0.00 C ATOM 179 CG2 VAL A 14 -0.948 -15.643 -9.671 1.00 0.00 C ATOM 0 H VAL A 14 -1.096 -13.079 -8.526 1.00 0.00 H new ATOM 0 HA VAL A 14 0.953 -13.910 -10.441 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.094 -13.891 -10.214 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.122 -15.487 -12.123 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.469 -13.905 -12.611 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.366 -15.272 -12.322 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.779 -16.333 -9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.019 -16.126 -9.973 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.886 -15.363 -8.619 1.00 0.00 H new ATOM 189 N GLY A 15 1.074 -11.914 -11.941 1.00 0.00 N ATOM 190 CA GLY A 15 1.061 -10.805 -12.949 1.00 0.00 C ATOM 191 C GLY A 15 1.589 -9.509 -12.314 1.00 0.00 C ATOM 192 O GLY A 15 2.058 -8.627 -13.006 1.00 0.00 O ATOM 0 H GLY A 15 1.986 -12.335 -11.762 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.676 -11.076 -13.807 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.047 -10.651 -13.319 1.00 0.00 H new ATOM 196 N LYS A 16 1.542 -9.384 -11.005 1.00 0.00 N ATOM 197 CA LYS A 16 2.071 -8.142 -10.363 1.00 0.00 C ATOM 198 C LYS A 16 3.232 -8.524 -9.417 1.00 0.00 C ATOM 199 O LYS A 16 3.969 -9.444 -9.715 1.00 0.00 O ATOM 200 CB LYS A 16 0.898 -7.517 -9.620 1.00 0.00 C ATOM 201 CG LYS A 16 -0.294 -7.311 -10.569 1.00 0.00 C ATOM 202 CD LYS A 16 -1.479 -6.734 -9.785 1.00 0.00 C ATOM 203 CE LYS A 16 -2.208 -7.865 -9.051 1.00 0.00 C ATOM 204 NZ LYS A 16 -2.094 -7.525 -7.606 1.00 0.00 N ATOM 0 H LYS A 16 1.164 -10.081 -10.364 1.00 0.00 H new ATOM 0 HA LYS A 16 2.471 -7.427 -11.082 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.603 -8.159 -8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.199 -6.561 -9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.016 -6.635 -11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.575 -8.259 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.128 -5.990 -9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.164 -6.226 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.251 -7.928 -9.360 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.753 -8.832 -9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.570 -8.255 -7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.090 -7.479 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.542 -6.603 -7.430 1.00 0.00 H new ATOM 218 N TYR A 17 3.437 -7.852 -8.294 1.00 0.00 N ATOM 219 CA TYR A 17 4.584 -8.250 -7.416 1.00 0.00 C ATOM 220 C TYR A 17 4.229 -8.021 -5.928 1.00 0.00 C ATOM 221 O TYR A 17 3.159 -7.523 -5.626 1.00 0.00 O ATOM 222 CB TYR A 17 5.753 -7.372 -7.850 1.00 0.00 C ATOM 223 CG TYR A 17 5.856 -7.347 -9.359 1.00 0.00 C ATOM 224 CD1 TYR A 17 5.116 -6.441 -10.130 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.703 -8.254 -9.980 1.00 0.00 C ATOM 226 CE1 TYR A 17 5.237 -6.459 -11.528 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.830 -8.274 -11.363 1.00 0.00 C ATOM 228 CZ TYR A 17 6.097 -7.376 -12.144 1.00 0.00 C ATOM 229 OH TYR A 17 6.219 -7.395 -13.518 1.00 0.00 O ATOM 0 H TYR A 17 2.874 -7.069 -7.961 1.00 0.00 H new ATOM 0 HA TYR A 17 4.828 -9.308 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.617 -6.359 -7.471 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.681 -7.751 -7.421 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.456 -5.733 -9.651 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.270 -8.952 -9.381 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.667 -5.766 -12.129 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.495 -8.983 -11.835 1.00 0.00 H new ATOM 0 HH TYR A 17 6.857 -8.091 -13.780 1.00 0.00 H new ATOM 239 N CYS A 18 5.092 -8.387 -4.983 1.00 0.00 N ATOM 240 CA CYS A 18 4.732 -8.191 -3.546 1.00 0.00 C ATOM 241 C CYS A 18 5.922 -7.645 -2.758 1.00 0.00 C ATOM 242 O CYS A 18 7.052 -7.719 -3.191 1.00 0.00 O ATOM 243 CB CYS A 18 4.354 -9.592 -3.042 1.00 0.00 C ATOM 244 SG CYS A 18 2.815 -10.113 -3.824 1.00 0.00 S ATOM 0 H CYS A 18 6.008 -8.803 -5.154 1.00 0.00 H new ATOM 0 HA CYS A 18 3.922 -7.473 -3.423 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.150 -10.300 -3.272 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.239 -9.582 -1.958 1.00 0.00 H new ATOM 249 N CYS A 19 5.671 -7.090 -1.605 1.00 0.00 N ATOM 250 CA CYS A 19 6.773 -6.533 -0.783 1.00 0.00 C ATOM 251 C CYS A 19 6.636 -6.958 0.689 1.00 0.00 C ATOM 252 O CYS A 19 5.596 -6.776 1.309 1.00 0.00 O ATOM 253 CB CYS A 19 6.645 -5.016 -0.936 1.00 0.00 C ATOM 254 SG CYS A 19 4.904 -4.549 -0.844 1.00 0.00 S ATOM 0 H CYS A 19 4.741 -6.999 -1.197 1.00 0.00 H new ATOM 0 HA CYS A 19 7.749 -6.895 -1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.210 -4.511 -0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.068 -4.699 -1.889 1.00 0.00 H new ATOM 259 N SER A 20 7.687 -7.523 1.243 1.00 0.00 N ATOM 260 CA SER A 20 7.674 -7.958 2.674 1.00 0.00 C ATOM 261 C SER A 20 9.118 -8.245 3.101 1.00 0.00 C ATOM 262 O SER A 20 9.805 -9.001 2.441 1.00 0.00 O ATOM 263 CB SER A 20 6.824 -9.237 2.718 1.00 0.00 C ATOM 264 OG SER A 20 7.270 -10.128 1.704 1.00 0.00 O ATOM 0 H SER A 20 8.564 -7.702 0.754 1.00 0.00 H new ATOM 0 HA SER A 20 7.263 -7.204 3.346 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.907 -9.710 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.772 -8.994 2.569 1.00 0.00 H new ATOM 0 HG SER A 20 8.218 -9.964 1.519 1.00 0.00 H new ATOM 270 N PRO A 21 9.554 -7.637 4.176 1.00 0.00 N ATOM 271 CA PRO A 21 10.941 -7.863 4.635 1.00 0.00 C ATOM 272 C PRO A 21 11.073 -9.203 5.368 1.00 0.00 C ATOM 273 O PRO A 21 12.134 -9.561 5.841 1.00 0.00 O ATOM 274 CB PRO A 21 11.216 -6.675 5.555 1.00 0.00 C ATOM 275 CG PRO A 21 9.856 -6.225 6.039 1.00 0.00 C ATOM 276 CD PRO A 21 8.822 -6.709 5.045 1.00 0.00 C ATOM 0 HA PRO A 21 11.657 -7.923 3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.855 -6.963 6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.729 -5.875 5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.651 -6.630 7.030 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.822 -5.139 6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.992 -7.206 5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.401 -5.881 4.476 1.00 0.00 H new ATOM 284 N ILE A 22 10.009 -9.950 5.445 1.00 0.00 N ATOM 285 CA ILE A 22 10.071 -11.287 6.129 1.00 0.00 C ATOM 286 C ILE A 22 8.864 -12.154 5.759 1.00 0.00 C ATOM 287 O ILE A 22 8.641 -13.216 6.307 1.00 0.00 O ATOM 288 CB ILE A 22 10.093 -10.946 7.623 1.00 0.00 C ATOM 289 CG1 ILE A 22 10.442 -12.187 8.473 1.00 0.00 C ATOM 290 CG2 ILE A 22 8.718 -10.424 8.021 1.00 0.00 C ATOM 291 CD1 ILE A 22 10.253 -11.869 9.965 1.00 0.00 C ATOM 0 H ILE A 22 9.095 -9.700 5.066 1.00 0.00 H new ATOM 0 HA ILE A 22 10.942 -11.871 5.832 1.00 0.00 H new ATOM 0 HB ILE A 22 10.857 -10.190 7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.806 -13.025 8.187 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.472 -12.490 8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.716 -10.176 9.082 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.485 -9.532 7.440 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.968 -11.190 7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.501 -12.749 10.559 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.908 -11.045 10.247 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.216 -11.588 10.149 1.00 0.00 H new ATOM 303 N GLY A 23 8.111 -11.700 4.820 1.00 0.00 N ATOM 304 CA GLY A 23 6.911 -12.462 4.350 1.00 0.00 C ATOM 305 C GLY A 23 5.768 -12.322 5.348 1.00 0.00 C ATOM 306 O GLY A 23 4.773 -13.016 5.266 1.00 0.00 O ATOM 0 H GLY A 23 8.267 -10.815 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.597 -12.092 3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.166 -13.514 4.225 1.00 0.00 H new ATOM 310 N LYS A 24 5.897 -11.436 6.292 1.00 0.00 N ATOM 311 CA LYS A 24 4.805 -11.266 7.292 1.00 0.00 C ATOM 312 C LYS A 24 3.755 -10.260 6.803 1.00 0.00 C ATOM 313 O LYS A 24 2.581 -10.394 7.087 1.00 0.00 O ATOM 314 CB LYS A 24 5.468 -10.784 8.580 1.00 0.00 C ATOM 315 CG LYS A 24 5.908 -9.325 8.443 1.00 0.00 C ATOM 316 CD LYS A 24 6.605 -8.877 9.732 1.00 0.00 C ATOM 317 CE LYS A 24 5.641 -9.002 10.920 1.00 0.00 C ATOM 318 NZ LYS A 24 4.440 -8.205 10.542 1.00 0.00 N ATOM 0 H LYS A 24 6.704 -10.825 6.416 1.00 0.00 H new ATOM 0 HA LYS A 24 4.276 -12.206 7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.772 -10.883 9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.330 -11.410 8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.584 -9.216 7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.044 -8.691 8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.492 -9.487 9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.942 -7.845 9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.379 -10.044 11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.094 -8.620 11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.948 -7.889 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.734 -7.376 9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.798 -8.793 9.973 1.00 0.00 H new ATOM 332 N TYR A 25 4.166 -9.251 6.080 1.00 0.00 N ATOM 333 CA TYR A 25 3.183 -8.238 5.591 1.00 0.00 C ATOM 334 C TYR A 25 2.526 -8.689 4.283 1.00 0.00 C ATOM 335 O TYR A 25 1.343 -8.494 4.085 1.00 0.00 O ATOM 336 CB TYR A 25 3.986 -6.953 5.370 1.00 0.00 C ATOM 337 CG TYR A 25 4.254 -6.271 6.694 1.00 0.00 C ATOM 338 CD1 TYR A 25 3.239 -5.540 7.326 1.00 0.00 C ATOM 339 CD2 TYR A 25 5.519 -6.365 7.283 1.00 0.00 C ATOM 340 CE1 TYR A 25 3.490 -4.906 8.551 1.00 0.00 C ATOM 341 CE2 TYR A 25 5.772 -5.730 8.510 1.00 0.00 C ATOM 342 CZ TYR A 25 4.756 -5.003 9.142 1.00 0.00 C ATOM 343 OH TYR A 25 5.002 -4.379 10.349 1.00 0.00 O ATOM 0 H TYR A 25 5.135 -9.085 5.808 1.00 0.00 H new ATOM 0 HA TYR A 25 2.376 -8.095 6.310 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.929 -7.185 4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.437 -6.281 4.711 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.263 -5.465 6.869 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.302 -6.926 6.794 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.708 -4.343 9.039 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.749 -5.802 8.965 1.00 0.00 H new ATOM 0 HH TYR A 25 5.929 -4.546 10.621 1.00 0.00 H new ATOM 353 N CYS A 26 3.278 -9.279 3.387 1.00 0.00 N ATOM 354 CA CYS A 26 2.689 -9.725 2.080 1.00 0.00 C ATOM 355 C CYS A 26 1.777 -8.628 1.504 1.00 0.00 C ATOM 356 O CYS A 26 0.570 -8.772 1.462 1.00 0.00 O ATOM 357 CB CYS A 26 1.865 -10.987 2.413 1.00 0.00 C ATOM 358 SG CYS A 26 0.917 -11.505 0.956 1.00 0.00 S ATOM 0 H CYS A 26 4.273 -9.472 3.501 1.00 0.00 H new ATOM 0 HA CYS A 26 3.458 -9.927 1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.528 -11.791 2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.190 -10.783 3.244 1.00 0.00 H new ATOM 363 N VAL A 27 2.347 -7.535 1.047 1.00 0.00 N ATOM 364 CA VAL A 27 1.508 -6.441 0.462 1.00 0.00 C ATOM 365 C VAL A 27 1.854 -6.319 -1.017 1.00 0.00 C ATOM 366 O VAL A 27 2.979 -6.057 -1.371 1.00 0.00 O ATOM 367 CB VAL A 27 1.910 -5.174 1.213 1.00 0.00 C ATOM 368 CG1 VAL A 27 1.116 -3.991 0.662 1.00 0.00 C ATOM 369 CG2 VAL A 27 1.604 -5.349 2.701 1.00 0.00 C ATOM 0 H VAL A 27 3.351 -7.355 1.054 1.00 0.00 H new ATOM 0 HA VAL A 27 0.437 -6.624 0.552 1.00 0.00 H new ATOM 0 HB VAL A 27 2.976 -4.990 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.399 -3.083 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.332 -3.871 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.050 -4.174 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.890 -4.446 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.537 -5.529 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.166 -6.197 3.091 1.00 0.00 H new ATOM 379 N CYS A 28 0.915 -6.552 -1.890 1.00 0.00 N ATOM 380 CA CYS A 28 1.252 -6.511 -3.340 1.00 0.00 C ATOM 381 C CYS A 28 0.528 -5.408 -4.100 1.00 0.00 C ATOM 382 O CYS A 28 -0.467 -4.864 -3.664 1.00 0.00 O ATOM 383 CB CYS A 28 0.806 -7.879 -3.856 1.00 0.00 C ATOM 384 SG CYS A 28 1.400 -9.172 -2.745 1.00 0.00 S ATOM 0 H CYS A 28 -0.057 -6.766 -1.668 1.00 0.00 H new ATOM 0 HA CYS A 28 2.311 -6.300 -3.486 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.281 -7.916 -3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.194 -8.043 -4.861 1.00 0.00 H new ATOM 389 N TYR A 29 1.048 -5.091 -5.257 1.00 0.00 N ATOM 390 CA TYR A 29 0.451 -4.045 -6.111 1.00 0.00 C ATOM 391 C TYR A 29 0.703 -4.398 -7.569 1.00 0.00 C ATOM 392 O TYR A 29 1.404 -5.341 -7.860 1.00 0.00 O ATOM 393 CB TYR A 29 1.218 -2.786 -5.820 1.00 0.00 C ATOM 394 CG TYR A 29 1.041 -2.355 -4.408 1.00 0.00 C ATOM 395 CD1 TYR A 29 1.809 -2.940 -3.417 1.00 0.00 C ATOM 396 CD2 TYR A 29 0.147 -1.335 -4.109 1.00 0.00 C ATOM 397 CE1 TYR A 29 1.684 -2.509 -2.100 1.00 0.00 C ATOM 398 CE2 TYR A 29 0.009 -0.896 -2.796 1.00 0.00 C ATOM 399 CZ TYR A 29 0.781 -1.481 -1.783 1.00 0.00 C ATOM 400 OH TYR A 29 0.653 -1.050 -0.478 1.00 0.00 O ATOM 0 H TYR A 29 1.882 -5.530 -5.647 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.618 -3.943 -5.926 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.277 -2.949 -6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.884 -1.992 -6.488 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.504 -3.729 -3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.440 -0.883 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.280 -2.964 -1.323 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.690 -0.108 -2.558 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.013 -0.333 -0.434 1.00 0.00 H new ATOM 410 N ASP A 30 0.169 -3.644 -8.488 1.00 0.00 N ATOM 411 CA ASP A 30 0.422 -3.955 -9.917 1.00 0.00 C ATOM 412 C ASP A 30 1.771 -3.402 -10.390 1.00 0.00 C ATOM 413 O ASP A 30 2.506 -4.068 -11.093 1.00 0.00 O ATOM 414 CB ASP A 30 -0.744 -3.338 -10.679 1.00 0.00 C ATOM 415 CG ASP A 30 -0.546 -1.827 -10.838 1.00 0.00 C ATOM 416 OD1 ASP A 30 -0.784 -1.115 -9.877 1.00 0.00 O ATOM 417 OD2 ASP A 30 -0.162 -1.410 -11.918 1.00 0.00 O ATOM 0 H ASP A 30 -0.426 -2.834 -8.312 1.00 0.00 H new ATOM 0 HA ASP A 30 0.483 -5.030 -10.087 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.831 -3.804 -11.661 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.676 -3.534 -10.149 1.00 0.00 H new ATOM 422 N SER A 31 2.112 -2.202 -10.008 1.00 0.00 N ATOM 423 CA SER A 31 3.432 -1.638 -10.445 1.00 0.00 C ATOM 424 C SER A 31 4.528 -2.185 -9.530 1.00 0.00 C ATOM 425 O SER A 31 4.507 -1.913 -8.352 1.00 0.00 O ATOM 426 CB SER A 31 3.302 -0.127 -10.314 1.00 0.00 C ATOM 427 OG SER A 31 2.014 0.274 -10.764 1.00 0.00 O ATOM 0 H SER A 31 1.546 -1.590 -9.420 1.00 0.00 H new ATOM 0 HA SER A 31 3.692 -1.910 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.447 0.174 -9.276 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.076 0.368 -10.901 1.00 0.00 H new ATOM 0 HG SER A 31 1.926 1.246 -10.680 1.00 0.00 H new ATOM 433 N LYS A 32 5.486 -2.953 -10.020 1.00 0.00 N ATOM 434 CA LYS A 32 6.540 -3.463 -9.083 1.00 0.00 C ATOM 435 C LYS A 32 7.058 -2.243 -8.303 1.00 0.00 C ATOM 436 O LYS A 32 7.333 -2.300 -7.119 1.00 0.00 O ATOM 437 CB LYS A 32 7.629 -4.134 -9.969 1.00 0.00 C ATOM 438 CG LYS A 32 8.552 -3.096 -10.624 1.00 0.00 C ATOM 439 CD LYS A 32 9.822 -3.803 -11.139 1.00 0.00 C ATOM 440 CE LYS A 32 9.484 -4.560 -12.437 1.00 0.00 C ATOM 441 NZ LYS A 32 10.722 -5.317 -12.772 1.00 0.00 N ATOM 0 H LYS A 32 5.579 -3.238 -10.995 1.00 0.00 H new ATOM 0 HA LYS A 32 6.189 -4.201 -8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.223 -4.816 -9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.149 -4.733 -10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.037 -2.601 -11.448 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.818 -2.322 -9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.610 -3.073 -11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.198 -4.496 -10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.637 -5.231 -12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.213 -3.871 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.571 -5.860 -13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.509 -4.652 -12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.951 -5.969 -11.995 1.00 0.00 H new ATOM 455 N ALA A 33 7.125 -1.112 -8.963 1.00 0.00 N ATOM 456 CA ALA A 33 7.532 0.126 -8.283 1.00 0.00 C ATOM 457 C ALA A 33 6.569 0.403 -7.137 1.00 0.00 C ATOM 458 O ALA A 33 6.989 0.699 -6.053 1.00 0.00 O ATOM 459 CB ALA A 33 7.419 1.223 -9.341 1.00 0.00 C ATOM 0 H ALA A 33 6.910 -1.008 -9.955 1.00 0.00 H new ATOM 0 HA ALA A 33 8.539 0.067 -7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.708 2.180 -8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.078 0.991 -10.177 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.390 1.282 -9.696 1.00 0.00 H new ATOM 465 N ILE A 34 5.268 0.299 -7.351 1.00 0.00 N ATOM 466 CA ILE A 34 4.338 0.552 -6.236 1.00 0.00 C ATOM 467 C ILE A 34 4.657 -0.391 -5.092 1.00 0.00 C ATOM 468 O ILE A 34 4.424 -0.110 -3.938 1.00 0.00 O ATOM 469 CB ILE A 34 2.982 0.324 -6.831 1.00 0.00 C ATOM 470 CG1 ILE A 34 2.592 1.559 -7.640 1.00 0.00 C ATOM 471 CG2 ILE A 34 1.958 0.107 -5.720 1.00 0.00 C ATOM 472 CD1 ILE A 34 1.089 1.542 -7.854 1.00 0.00 C ATOM 0 H ILE A 34 4.835 0.053 -8.241 1.00 0.00 H new ATOM 0 HA ILE A 34 4.405 1.554 -5.813 1.00 0.00 H new ATOM 0 HB ILE A 34 3.005 -0.557 -7.472 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.889 2.466 -7.113 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.111 1.563 -8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.974 -0.058 -6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.242 -0.763 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.926 0.987 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.794 2.418 -8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.809 0.639 -8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.584 1.556 -6.888 1.00 0.00 H new ATOM 484 N CYS A 35 5.224 -1.497 -5.421 1.00 0.00 N ATOM 485 CA CYS A 35 5.618 -2.468 -4.356 1.00 0.00 C ATOM 486 C CYS A 35 6.619 -1.747 -3.465 1.00 0.00 C ATOM 487 O CYS A 35 6.328 -1.423 -2.344 1.00 0.00 O ATOM 488 CB CYS A 35 6.286 -3.662 -5.053 1.00 0.00 C ATOM 489 SG CYS A 35 7.009 -4.762 -3.806 1.00 0.00 S ATOM 0 H CYS A 35 5.438 -1.784 -6.376 1.00 0.00 H new ATOM 0 HA CYS A 35 4.773 -2.821 -3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.553 -4.204 -5.651 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.059 -3.312 -5.737 1.00 0.00 H new ATOM 494 N ASN A 36 7.782 -1.446 -3.966 1.00 0.00 N ATOM 495 CA ASN A 36 8.766 -0.693 -3.118 1.00 0.00 C ATOM 496 C ASN A 36 8.140 0.618 -2.579 1.00 0.00 C ATOM 497 O ASN A 36 8.173 0.903 -1.399 1.00 0.00 O ATOM 498 CB ASN A 36 9.936 -0.374 -4.064 1.00 0.00 C ATOM 499 CG ASN A 36 10.667 -1.669 -4.421 1.00 0.00 C ATOM 500 OD1 ASN A 36 10.273 -2.370 -5.333 1.00 0.00 O ATOM 501 ND2 ASN A 36 11.721 -2.021 -3.738 1.00 0.00 N ATOM 0 H ASN A 36 8.097 -1.680 -4.907 1.00 0.00 H new ATOM 0 HA ASN A 36 9.078 -1.270 -2.248 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.566 0.109 -4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.623 0.325 -3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.214 -2.884 -3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.052 -1.434 -2.973 1.00 0.00 H new ATOM 508 N LYS A 37 7.617 1.418 -3.463 1.00 0.00 N ATOM 509 CA LYS A 37 7.018 2.744 -3.103 1.00 0.00 C ATOM 510 C LYS A 37 5.794 2.678 -2.166 1.00 0.00 C ATOM 511 O LYS A 37 5.889 2.951 -0.987 1.00 0.00 O ATOM 512 CB LYS A 37 6.605 3.328 -4.454 1.00 0.00 C ATOM 513 CG LYS A 37 6.319 4.830 -4.323 1.00 0.00 C ATOM 514 CD LYS A 37 4.955 5.051 -3.660 1.00 0.00 C ATOM 515 CE LYS A 37 4.296 6.311 -4.235 1.00 0.00 C ATOM 516 NZ LYS A 37 5.258 7.414 -3.954 1.00 0.00 N ATOM 0 H LYS A 37 7.576 1.203 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 37 7.740 3.337 -2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.397 3.165 -5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.718 2.813 -4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.101 5.307 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.334 5.298 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.314 4.185 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.077 5.153 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.115 6.208 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.331 6.500 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.752 8.323 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.702 7.259 -3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.992 7.431 -4.691 1.00 0.00 H new ATOM 530 N ASN A 38 4.634 2.381 -2.707 1.00 0.00 N ATOM 531 CA ASN A 38 3.388 2.362 -1.919 1.00 0.00 C ATOM 532 C ASN A 38 3.416 1.357 -0.795 1.00 0.00 C ATOM 533 O ASN A 38 2.750 1.517 0.208 1.00 0.00 O ATOM 534 CB ASN A 38 2.356 1.996 -2.944 1.00 0.00 C ATOM 535 CG ASN A 38 2.002 3.224 -3.772 1.00 0.00 C ATOM 536 OD1 ASN A 38 2.533 3.358 -4.947 1.00 0.00 O flip ATOM 537 ND2 ASN A 38 1.272 4.089 -3.327 1.00 0.00 N flip ATOM 0 H ASN A 38 4.511 2.146 -3.692 1.00 0.00 H new ATOM 0 HA ASN A 38 3.202 3.312 -1.419 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.736 1.205 -3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.464 1.606 -2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.856 3.979 -2.402 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.075 4.924 -3.879 1.00 0.00 H new ATOM 544 N CYS A 39 4.155 0.315 -0.959 1.00 0.00 N ATOM 545 CA CYS A 39 4.188 -0.724 0.126 1.00 0.00 C ATOM 546 C CYS A 39 4.424 -0.088 1.501 1.00 0.00 C ATOM 547 O CYS A 39 3.980 -0.597 2.512 1.00 0.00 O ATOM 548 CB CYS A 39 5.346 -1.648 -0.200 1.00 0.00 C ATOM 549 SG CYS A 39 4.887 -2.683 -1.608 1.00 0.00 S ATOM 0 H CYS A 39 4.735 0.123 -1.776 1.00 0.00 H new ATOM 0 HA CYS A 39 3.236 -1.253 0.169 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.238 -1.067 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.587 -2.269 0.662 1.00 0.00 H new ATOM 554 N THR A 40 5.118 1.015 1.547 1.00 0.00 N ATOM 555 CA THR A 40 5.378 1.676 2.862 1.00 0.00 C ATOM 556 C THR A 40 4.126 2.419 3.337 1.00 0.00 C ATOM 557 O THR A 40 3.746 3.376 2.683 1.00 0.00 O ATOM 558 CB THR A 40 6.538 2.650 2.615 1.00 0.00 C ATOM 559 OG1 THR A 40 6.315 3.343 1.394 1.00 0.00 O ATOM 560 CG2 THR A 40 7.870 1.878 2.534 1.00 0.00 C ATOM 561 OXT THR A 40 3.570 2.019 4.346 1.00 0.00 O ATOM 0 H THR A 40 5.516 1.488 0.736 1.00 0.00 H new ATOM 0 HA THR A 40 5.629 0.955 3.640 1.00 0.00 H new ATOM 0 HB THR A 40 6.592 3.361 3.439 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.738 2.853 0.658 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.686 2.579 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.041 1.349 3.471 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.825 1.160 1.715 1.00 0.00 H new TER 569 THR A 40