USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 308 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 GLY N :NH3+ -107:sc= 0.126 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= -0.901 (180deg=-2.25!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.422 K(o=-0.42,f=-4.8!) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc=-0.00478 (180deg=-0.152) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -155:sc= -0.072 (180deg=-0.155) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= -0.0108 (180deg=-0.755) USER MOD Single : A 29 MET CE :methyl 161:sc= 0 (180deg=-0.743) USER MOD Single : A 30 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ 148:sc= 0.248 (180deg=0.00944) USER MOD Single : A 34 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.14) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= -0.034 (180deg=-0.315) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.254 -9.998 4.471 1.00 0.00 N ATOM 2 CA GLY A 1 6.036 -8.816 3.625 1.00 0.00 C ATOM 3 C GLY A 1 4.901 -9.063 2.662 1.00 0.00 C ATOM 4 O GLY A 1 4.618 -10.216 2.381 1.00 0.00 O ATOM 0 H1 GLY A 1 5.912 -9.804 5.434 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.735 -10.808 4.076 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.270 -10.220 4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.811 -7.951 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.946 -8.583 3.073 1.00 0.00 H new ATOM 10 N VAL A 2 4.255 -7.991 2.145 1.00 0.00 N ATOM 11 CA VAL A 2 3.147 -8.150 1.205 1.00 0.00 C ATOM 12 C VAL A 2 3.362 -7.073 0.171 1.00 0.00 C ATOM 13 O VAL A 2 2.758 -6.015 0.267 1.00 0.00 O ATOM 14 CB VAL A 2 1.784 -8.050 1.951 1.00 0.00 C ATOM 15 CG1 VAL A 2 0.583 -8.065 0.962 1.00 0.00 C ATOM 16 CG2 VAL A 2 1.641 -9.237 2.944 1.00 0.00 C ATOM 0 H VAL A 2 4.487 -7.023 2.366 1.00 0.00 H new ATOM 0 HA VAL A 2 3.119 -9.128 0.724 1.00 0.00 H new ATOM 0 HB VAL A 2 1.771 -7.102 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.350 -7.994 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.663 -7.219 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.593 -8.993 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.686 -9.163 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.684 -10.178 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.453 -9.204 3.670 1.00 0.00 H new ATOM 26 N ILE A 3 4.258 -7.328 -0.813 1.00 0.00 N ATOM 27 CA ILE A 3 4.515 -6.319 -1.825 1.00 0.00 C ATOM 28 C ILE A 3 3.438 -6.487 -2.863 1.00 0.00 C ATOM 29 O ILE A 3 3.084 -7.615 -3.177 1.00 0.00 O ATOM 30 CB ILE A 3 5.944 -6.370 -2.443 1.00 0.00 C ATOM 31 CG1 ILE A 3 7.049 -6.050 -1.387 1.00 0.00 C ATOM 32 CG2 ILE A 3 6.052 -5.340 -3.607 1.00 0.00 C ATOM 33 CD1 ILE A 3 7.200 -7.076 -0.233 1.00 0.00 C ATOM 0 H ILE A 3 4.788 -8.194 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 3 4.486 -5.331 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 3 6.102 -7.384 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.006 -5.970 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.838 -5.073 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.053 -5.379 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.318 -5.582 -4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.860 -4.337 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.995 -6.753 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.263 -7.143 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.449 -8.054 -0.646 1.00 0.00 H new ATOM 45 N ILE A 4 2.914 -5.353 -3.393 1.00 0.00 N ATOM 46 CA ILE A 4 1.893 -5.385 -4.439 1.00 0.00 C ATOM 47 C ILE A 4 2.484 -4.544 -5.569 1.00 0.00 C ATOM 48 O ILE A 4 2.581 -3.332 -5.453 1.00 0.00 O ATOM 49 CB ILE A 4 0.503 -4.970 -3.848 1.00 0.00 C ATOM 50 CG1 ILE A 4 0.553 -3.644 -3.028 1.00 0.00 C ATOM 51 CG2 ILE A 4 -0.049 -6.144 -2.970 1.00 0.00 C ATOM 52 CD1 ILE A 4 -0.840 -3.003 -2.767 1.00 0.00 C ATOM 0 H ILE A 4 3.189 -4.414 -3.106 1.00 0.00 H new ATOM 0 HA ILE A 4 1.661 -6.366 -4.853 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.167 -4.776 -4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.035 -3.840 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.178 -2.925 -3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.017 -5.864 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.163 -7.036 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.648 -6.350 -2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.716 -2.086 -2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.318 -2.772 -3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.463 -3.701 -2.208 1.00 0.00 H new ATOM 64 N ASN A 5 2.934 -5.186 -6.671 1.00 0.00 N ATOM 65 CA ASN A 5 3.707 -4.490 -7.701 1.00 0.00 C ATOM 66 C ASN A 5 2.739 -3.966 -8.735 1.00 0.00 C ATOM 67 O ASN A 5 2.627 -4.577 -9.784 1.00 0.00 O ATOM 68 CB ASN A 5 4.732 -5.472 -8.339 1.00 0.00 C ATOM 69 CG ASN A 5 5.755 -5.961 -7.340 1.00 0.00 C ATOM 70 OD1 ASN A 5 5.607 -7.064 -6.837 1.00 0.00 O ATOM 71 ND2 ASN A 5 6.808 -5.173 -7.032 1.00 0.00 N ATOM 0 H ASN A 5 2.772 -6.175 -6.861 1.00 0.00 H new ATOM 0 HA ASN A 5 4.266 -3.658 -7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.201 -6.326 -8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.242 -4.976 -9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.507 -5.495 -6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.904 -4.256 -7.469 1.00 0.00 H new ATOM 78 N VAL A 6 2.029 -2.845 -8.442 1.00 0.00 N ATOM 79 CA VAL A 6 1.034 -2.332 -9.382 1.00 0.00 C ATOM 80 C VAL A 6 1.091 -0.823 -9.520 1.00 0.00 C ATOM 81 O VAL A 6 1.458 -0.160 -8.564 1.00 0.00 O ATOM 82 CB VAL A 6 -0.367 -2.802 -8.885 1.00 0.00 C ATOM 83 CG1 VAL A 6 -1.501 -2.376 -9.856 1.00 0.00 C ATOM 84 CG2 VAL A 6 -0.407 -4.341 -8.659 1.00 0.00 C ATOM 0 H VAL A 6 2.132 -2.302 -7.584 1.00 0.00 H new ATOM 0 HA VAL A 6 1.240 -2.724 -10.378 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.538 -2.307 -7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.460 -2.724 -9.471 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.517 -1.290 -9.942 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.323 -2.815 -10.838 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.399 -4.632 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.185 -4.852 -9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.335 -4.618 -7.910 1.00 0.00 H new ATOM 94 N LYS A 7 0.736 -0.270 -10.708 1.00 0.00 N ATOM 95 CA LYS A 7 0.831 1.172 -10.930 1.00 0.00 C ATOM 96 C LYS A 7 -0.075 1.912 -9.965 1.00 0.00 C ATOM 97 O LYS A 7 -1.279 1.866 -10.159 1.00 0.00 O ATOM 98 CB LYS A 7 0.439 1.579 -12.384 1.00 0.00 C ATOM 99 CG LYS A 7 1.481 1.165 -13.466 1.00 0.00 C ATOM 100 CD LYS A 7 2.790 2.015 -13.505 1.00 0.00 C ATOM 101 CE LYS A 7 2.623 3.398 -14.195 1.00 0.00 C ATOM 102 NZ LYS A 7 1.721 4.303 -13.459 1.00 0.00 N ATOM 0 H LYS A 7 0.389 -0.801 -11.506 1.00 0.00 H new ATOM 0 HA LYS A 7 1.874 1.443 -10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.522 1.127 -12.629 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.302 2.660 -12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.752 0.122 -13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.004 1.221 -14.444 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.142 2.169 -12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.563 1.451 -14.027 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.601 3.869 -14.293 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.237 3.251 -15.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.001 5.289 -13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.743 4.158 -13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.782 4.101 -12.441 1.00 0.00 H new ATOM 116 N CYS A 8 0.474 2.617 -8.948 1.00 0.00 N ATOM 117 CA CYS A 8 -0.352 3.458 -8.082 1.00 0.00 C ATOM 118 C CYS A 8 -0.459 4.841 -8.672 1.00 0.00 C ATOM 119 O CYS A 8 0.225 5.119 -9.645 1.00 0.00 O ATOM 120 CB CYS A 8 0.303 3.614 -6.683 1.00 0.00 C ATOM 121 SG CYS A 8 1.855 4.570 -6.771 1.00 0.00 S ATOM 0 H CYS A 8 1.468 2.615 -8.718 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.330 2.985 -7.994 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.394 4.111 -6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.505 2.629 -6.263 1.00 0.00 H new ATOM 126 N LYS A 9 -1.286 5.712 -8.043 1.00 0.00 N ATOM 127 CA LYS A 9 -1.202 7.155 -8.276 1.00 0.00 C ATOM 128 C LYS A 9 -0.939 7.808 -6.938 1.00 0.00 C ATOM 129 O LYS A 9 0.029 8.561 -6.856 1.00 0.00 O ATOM 130 CB LYS A 9 -2.493 7.663 -8.971 1.00 0.00 C ATOM 131 CG LYS A 9 -2.499 9.177 -9.324 1.00 0.00 C ATOM 132 CD LYS A 9 -1.484 9.572 -10.430 1.00 0.00 C ATOM 133 CE LYS A 9 -1.743 11.008 -10.968 1.00 0.00 C ATOM 134 NZ LYS A 9 -1.632 12.048 -9.924 1.00 0.00 N ATOM 0 H LYS A 9 -2.008 5.433 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.388 7.412 -8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.643 7.092 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.343 7.454 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.501 9.460 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.280 9.750 -8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.471 9.511 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.547 8.859 -11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.032 11.225 -11.765 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.739 11.050 -11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.815 12.982 -10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.328 11.863 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.674 12.032 -9.519 1.00 0.00 H new ATOM 148 N ILE A 10 -1.769 7.537 -5.887 1.00 0.00 N ATOM 149 CA ILE A 10 -1.541 8.110 -4.554 1.00 0.00 C ATOM 150 C ILE A 10 -1.382 7.084 -3.416 1.00 0.00 C ATOM 151 O ILE A 10 -1.968 6.000 -3.364 1.00 0.00 O ATOM 152 CB ILE A 10 -2.607 9.218 -4.233 1.00 0.00 C ATOM 153 CG1 ILE A 10 -4.054 8.721 -4.538 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.293 10.533 -5.024 1.00 0.00 C ATOM 155 CD1 ILE A 10 -5.183 9.536 -3.848 1.00 0.00 C ATOM 0 H ILE A 10 -2.588 6.932 -5.950 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.559 8.581 -4.602 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.550 9.435 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.213 8.748 -5.616 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.137 7.679 -4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.043 11.288 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.307 10.901 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.311 10.327 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.152 9.117 -4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.057 9.489 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.133 10.575 -4.174 1.00 0.00 H new ATOM 167 N SER A 11 -0.524 7.453 -2.436 1.00 0.00 N ATOM 168 CA SER A 11 -0.200 6.556 -1.328 1.00 0.00 C ATOM 169 C SER A 11 -1.472 6.209 -0.597 1.00 0.00 C ATOM 170 O SER A 11 -1.648 5.057 -0.232 1.00 0.00 O ATOM 171 CB SER A 11 0.797 7.226 -0.339 1.00 0.00 C ATOM 172 OG SER A 11 1.884 7.851 -1.043 1.00 0.00 O ATOM 0 H SER A 11 -0.054 8.358 -2.399 1.00 0.00 H new ATOM 0 HA SER A 11 0.269 5.657 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.273 7.970 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.189 6.478 0.350 1.00 0.00 H new ATOM 0 HG SER A 11 2.495 8.266 -0.399 1.00 0.00 H new ATOM 178 N ARG A 12 -2.376 7.192 -0.385 1.00 0.00 N ATOM 179 CA ARG A 12 -3.631 6.899 0.307 1.00 0.00 C ATOM 180 C ARG A 12 -4.451 5.863 -0.441 1.00 0.00 C ATOM 181 O ARG A 12 -5.091 5.065 0.223 1.00 0.00 O ATOM 182 CB ARG A 12 -4.438 8.217 0.498 1.00 0.00 C ATOM 183 CG ARG A 12 -5.807 8.064 1.220 1.00 0.00 C ATOM 184 CD ARG A 12 -5.681 7.533 2.673 1.00 0.00 C ATOM 185 NE ARG A 12 -6.997 7.458 3.313 1.00 0.00 N ATOM 186 CZ ARG A 12 -7.608 8.478 3.869 1.00 0.00 C ATOM 187 NH1 ARG A 12 -7.148 9.706 3.911 1.00 0.00 N ATOM 188 NH2 ARG A 12 -8.766 8.204 4.411 1.00 0.00 N ATOM 0 H ARG A 12 -2.258 8.162 -0.676 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.399 6.477 1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.825 8.919 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.611 8.662 -0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.311 9.030 1.237 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.438 7.385 0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.218 6.546 2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.028 8.188 3.249 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.469 6.554 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.246 9.928 3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.692 10.439 4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.131 7.252 4.381 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.305 8.942 4.864 1.00 0.00 H new ATOM 202 N GLN A 13 -4.470 5.819 -1.794 1.00 0.00 N ATOM 203 CA GLN A 13 -5.330 4.843 -2.478 1.00 0.00 C ATOM 204 C GLN A 13 -4.754 3.450 -2.418 1.00 0.00 C ATOM 205 O GLN A 13 -5.542 2.541 -2.623 1.00 0.00 O ATOM 206 CB GLN A 13 -5.735 5.142 -3.955 1.00 0.00 C ATOM 207 CG GLN A 13 -4.693 4.628 -4.989 1.00 0.00 C ATOM 208 CD GLN A 13 -5.057 5.022 -6.397 1.00 0.00 C ATOM 209 OE1 GLN A 13 -4.329 5.818 -6.966 1.00 0.00 O ATOM 210 NE2 GLN A 13 -6.151 4.497 -6.985 1.00 0.00 N ATOM 0 H GLN A 13 -3.922 6.423 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.252 4.931 -1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.701 4.681 -4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.862 6.217 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.709 5.028 -4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.621 3.542 -4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.735 3.834 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.394 4.763 -7.939 1.00 0.00 H new ATOM 219 N CYS A 14 -3.437 3.238 -2.163 1.00 0.00 N ATOM 220 CA CYS A 14 -2.996 1.877 -1.797 1.00 0.00 C ATOM 221 C CYS A 14 -3.134 1.594 -0.307 1.00 0.00 C ATOM 222 O CYS A 14 -3.132 0.434 0.086 1.00 0.00 O ATOM 223 CB CYS A 14 -1.528 1.558 -2.141 1.00 0.00 C ATOM 224 SG CYS A 14 -1.125 1.652 -3.901 1.00 0.00 S ATOM 0 H CYS A 14 -2.705 3.947 -2.201 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.660 1.253 -2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.884 2.249 -1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.295 0.556 -1.782 1.00 0.00 H new ATOM 229 N LEU A 15 -3.237 2.635 0.553 1.00 0.00 N ATOM 230 CA LEU A 15 -3.448 2.415 1.977 1.00 0.00 C ATOM 231 C LEU A 15 -4.828 1.822 2.152 1.00 0.00 C ATOM 232 O LEU A 15 -4.941 0.954 3.003 1.00 0.00 O ATOM 233 CB LEU A 15 -3.222 3.737 2.766 1.00 0.00 C ATOM 234 CG LEU A 15 -3.566 3.702 4.279 1.00 0.00 C ATOM 235 CD1 LEU A 15 -2.861 2.548 5.044 1.00 0.00 C ATOM 236 CD2 LEU A 15 -3.190 5.056 4.942 1.00 0.00 C ATOM 0 H LEU A 15 -3.177 3.615 0.278 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.726 1.709 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.176 4.024 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.817 4.521 2.298 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.640 3.525 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.145 2.582 6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.162 1.591 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.780 2.660 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.435 5.022 6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.122 5.236 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.749 5.862 4.466 1.00 0.00 H new ATOM 248 N GLU A 16 -5.895 2.201 1.407 1.00 0.00 N ATOM 249 CA GLU A 16 -7.192 1.543 1.647 1.00 0.00 C ATOM 250 C GLU A 16 -7.122 0.031 1.447 1.00 0.00 C ATOM 251 O GLU A 16 -7.392 -0.652 2.422 1.00 0.00 O ATOM 252 CB GLU A 16 -8.432 2.126 0.900 1.00 0.00 C ATOM 253 CG GLU A 16 -8.878 3.533 1.393 1.00 0.00 C ATOM 254 CD GLU A 16 -7.793 4.566 1.252 1.00 0.00 C ATOM 255 OE1 GLU A 16 -6.947 4.661 2.181 1.00 0.00 O ATOM 256 OE2 GLU A 16 -7.780 5.289 0.220 1.00 0.00 O ATOM 0 H GLU A 16 -5.886 2.915 0.679 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.370 1.775 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.206 2.183 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.267 1.434 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.754 3.851 0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.180 3.469 2.438 1.00 0.00 H new ATOM 263 N PRO A 17 -6.800 -0.604 0.287 1.00 0.00 N ATOM 264 CA PRO A 17 -6.871 -2.058 0.213 1.00 0.00 C ATOM 265 C PRO A 17 -5.871 -2.715 1.137 1.00 0.00 C ATOM 266 O PRO A 17 -6.185 -3.779 1.650 1.00 0.00 O ATOM 267 CB PRO A 17 -6.606 -2.294 -1.297 1.00 0.00 C ATOM 268 CG PRO A 17 -5.780 -1.062 -1.734 1.00 0.00 C ATOM 269 CD PRO A 17 -6.413 0.098 -0.924 1.00 0.00 C ATOM 0 HA PRO A 17 -7.812 -2.497 0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.058 -3.221 -1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.538 -2.368 -1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.722 -1.184 -1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.853 -0.889 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.704 0.902 -0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.266 0.543 -1.436 1.00 0.00 H new ATOM 277 N CYS A 18 -4.677 -2.129 1.386 1.00 0.00 N ATOM 278 CA CYS A 18 -3.761 -2.762 2.337 1.00 0.00 C ATOM 279 C CYS A 18 -4.395 -2.805 3.719 1.00 0.00 C ATOM 280 O CYS A 18 -4.217 -3.791 4.416 1.00 0.00 O ATOM 281 CB CYS A 18 -2.379 -2.054 2.333 1.00 0.00 C ATOM 282 SG CYS A 18 -1.581 -2.398 0.731 1.00 0.00 S ATOM 0 H CYS A 18 -4.345 -1.263 0.962 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.579 -3.792 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.500 -0.980 2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.761 -2.418 3.154 1.00 0.00 H new ATOM 287 N LYS A 19 -5.153 -1.788 4.167 1.00 0.00 N ATOM 288 CA LYS A 19 -5.838 -1.878 5.461 1.00 0.00 C ATOM 289 C LYS A 19 -6.790 -3.051 5.425 1.00 0.00 C ATOM 290 O LYS A 19 -6.799 -3.838 6.359 1.00 0.00 O ATOM 291 CB LYS A 19 -6.632 -0.578 5.788 1.00 0.00 C ATOM 292 CG LYS A 19 -7.565 -0.740 7.021 1.00 0.00 C ATOM 293 CD LYS A 19 -8.285 0.592 7.366 1.00 0.00 C ATOM 294 CE LYS A 19 -9.357 0.381 8.468 1.00 0.00 C ATOM 295 NZ LYS A 19 -8.762 -0.231 9.673 1.00 0.00 N ATOM 0 H LYS A 19 -5.303 -0.914 3.662 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.086 -2.012 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.930 0.235 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.228 -0.293 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.306 -1.514 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.982 -1.073 7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.554 1.327 7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.755 0.997 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.810 1.338 8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.155 -0.257 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.446 -0.192 10.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.519 -1.223 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.902 0.290 9.938 1.00 0.00 H new ATOM 309 N LYS A 20 -7.609 -3.171 4.356 1.00 0.00 N ATOM 310 CA LYS A 20 -8.626 -4.222 4.329 1.00 0.00 C ATOM 311 C LYS A 20 -7.974 -5.580 4.464 1.00 0.00 C ATOM 312 O LYS A 20 -8.451 -6.384 5.250 1.00 0.00 O ATOM 313 CB LYS A 20 -9.496 -4.163 3.041 1.00 0.00 C ATOM 314 CG LYS A 20 -10.415 -2.908 3.027 1.00 0.00 C ATOM 315 CD LYS A 20 -11.197 -2.780 1.691 1.00 0.00 C ATOM 316 CE LYS A 20 -12.264 -1.651 1.726 1.00 0.00 C ATOM 317 NZ LYS A 20 -11.664 -0.320 1.966 1.00 0.00 N ATOM 0 H LYS A 20 -7.582 -2.571 3.532 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.292 -4.056 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.848 -4.150 2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.107 -5.063 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.120 -2.964 3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.811 -2.014 3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.494 -2.585 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.685 -3.729 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.807 -1.638 0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.992 -1.866 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.413 0.401 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.168 -0.323 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.989 -0.101 1.206 1.00 0.00 H new ATOM 331 N ALA A 21 -6.882 -5.857 3.718 1.00 0.00 N ATOM 332 CA ALA A 21 -6.215 -7.152 3.857 1.00 0.00 C ATOM 333 C ALA A 21 -5.777 -7.362 5.293 1.00 0.00 C ATOM 334 O ALA A 21 -5.987 -8.445 5.817 1.00 0.00 O ATOM 335 CB ALA A 21 -4.985 -7.259 2.918 1.00 0.00 C ATOM 0 H ALA A 21 -6.462 -5.221 3.039 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.930 -7.925 3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.513 -8.233 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.307 -7.145 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.270 -6.474 3.164 1.00 0.00 H new ATOM 341 N GLY A 22 -5.179 -6.328 5.931 1.00 0.00 N ATOM 342 CA GLY A 22 -4.764 -6.416 7.338 1.00 0.00 C ATOM 343 C GLY A 22 -3.303 -6.056 7.501 1.00 0.00 C ATOM 344 O GLY A 22 -2.542 -6.832 8.065 1.00 0.00 O ATOM 0 H GLY A 22 -4.977 -5.431 5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.376 -5.747 7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.936 -7.427 7.708 1.00 0.00 H new ATOM 348 N MET A 23 -2.904 -4.865 6.998 1.00 0.00 N ATOM 349 CA MET A 23 -1.498 -4.488 6.956 1.00 0.00 C ATOM 350 C MET A 23 -1.302 -3.336 7.903 1.00 0.00 C ATOM 351 O MET A 23 -2.169 -2.478 7.940 1.00 0.00 O ATOM 352 CB MET A 23 -1.089 -4.085 5.516 1.00 0.00 C ATOM 353 CG MET A 23 -1.425 -5.194 4.481 1.00 0.00 C ATOM 354 SD MET A 23 -0.322 -6.623 4.703 1.00 0.00 S ATOM 355 CE MET A 23 -1.523 -7.986 4.831 1.00 0.00 C ATOM 0 H MET A 23 -3.541 -4.163 6.622 1.00 0.00 H new ATOM 0 HA MET A 23 -0.871 -5.329 7.253 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.601 -3.164 5.239 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.020 -3.876 5.488 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.463 -5.506 4.597 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.322 -4.800 3.470 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.080 -8.810 5.390 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.417 -7.636 5.348 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.792 -8.329 3.832 1.00 0.00 H new ATOM 365 N ARG A 24 -0.186 -3.289 8.663 1.00 0.00 N ATOM 366 CA ARG A 24 0.029 -2.138 9.524 1.00 0.00 C ATOM 367 C ARG A 24 0.423 -0.985 8.633 1.00 0.00 C ATOM 368 O ARG A 24 -0.045 0.111 8.908 1.00 0.00 O ATOM 369 CB ARG A 24 1.111 -2.396 10.605 1.00 0.00 C ATOM 370 CG ARG A 24 1.217 -1.228 11.629 1.00 0.00 C ATOM 371 CD ARG A 24 2.508 -1.284 12.495 1.00 0.00 C ATOM 372 NE ARG A 24 2.769 -2.551 13.178 1.00 0.00 N ATOM 373 CZ ARG A 24 3.896 -2.809 13.802 1.00 0.00 C ATOM 374 NH1 ARG A 24 4.882 -1.954 13.942 1.00 0.00 N ATOM 375 NH2 ARG A 24 4.004 -4.011 14.305 1.00 0.00 N ATOM 0 H ARG A 24 0.540 -4.005 8.691 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.887 -1.918 10.073 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.879 -3.320 11.135 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.077 -2.540 10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.189 -0.280 11.092 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.347 -1.249 12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.361 -1.057 11.855 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.453 -0.495 13.245 1.00 0.00 H new ATOM 0 HE ARG A 24 2.043 -3.267 13.169 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.802 -1.015 13.552 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.728 -2.229 14.441 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.240 -4.679 14.199 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.852 -4.281 14.803 1.00 0.00 H new ATOM 389 N PHE A 25 1.262 -1.201 7.578 1.00 0.00 N ATOM 390 CA PHE A 25 1.707 -0.074 6.749 1.00 0.00 C ATOM 391 C PHE A 25 1.198 -0.161 5.326 1.00 0.00 C ATOM 392 O PHE A 25 0.965 -1.270 4.865 1.00 0.00 O ATOM 393 CB PHE A 25 3.251 0.024 6.681 1.00 0.00 C ATOM 394 CG PHE A 25 3.829 0.588 7.986 1.00 0.00 C ATOM 395 CD1 PHE A 25 3.979 1.972 8.145 1.00 0.00 C ATOM 396 CD2 PHE A 25 4.224 -0.263 9.020 1.00 0.00 C ATOM 397 CE1 PHE A 25 4.598 2.489 9.286 1.00 0.00 C ATOM 398 CE2 PHE A 25 4.936 0.243 10.115 1.00 0.00 C ATOM 399 CZ PHE A 25 5.096 1.621 10.264 1.00 0.00 C ATOM 0 H PHE A 25 1.624 -2.113 7.300 1.00 0.00 H new ATOM 0 HA PHE A 25 1.292 0.809 7.235 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.673 -0.963 6.490 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.541 0.662 5.846 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.614 2.643 7.381 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.980 -1.314 8.975 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.692 3.557 9.413 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.361 -0.433 10.843 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.603 2.017 11.132 1.00 0.00 H new ATOM 409 N GLY A 26 1.055 1.014 4.645 1.00 0.00 N ATOM 410 CA GLY A 26 0.485 1.074 3.297 1.00 0.00 C ATOM 411 C GLY A 26 0.980 2.253 2.489 1.00 0.00 C ATOM 412 O GLY A 26 0.288 3.266 2.555 1.00 0.00 O ATOM 0 H GLY A 26 1.331 1.921 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.726 0.153 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.601 1.124 3.371 1.00 0.00 H new ATOM 416 N LYS A 27 2.124 2.181 1.742 1.00 0.00 N ATOM 417 CA LYS A 27 2.587 3.376 0.969 1.00 0.00 C ATOM 418 C LYS A 27 2.907 3.009 -0.479 1.00 0.00 C ATOM 419 O LYS A 27 3.074 1.841 -0.797 1.00 0.00 O ATOM 420 CB LYS A 27 3.923 4.010 1.512 1.00 0.00 C ATOM 421 CG LYS A 27 3.866 5.078 2.659 1.00 0.00 C ATOM 422 CD LYS A 27 3.024 4.815 3.946 1.00 0.00 C ATOM 423 CE LYS A 27 2.538 6.190 4.501 1.00 0.00 C ATOM 424 NZ LYS A 27 3.655 7.159 4.518 1.00 0.00 N ATOM 0 H LYS A 27 2.715 1.354 1.660 1.00 0.00 H new ATOM 0 HA LYS A 27 1.760 4.079 1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.554 3.192 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.434 4.468 0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.892 5.262 2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.498 6.004 2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.172 4.175 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.624 4.294 4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.725 6.572 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.141 6.064 5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.490 7.866 5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.546 6.658 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.716 7.635 3.595 1.00 0.00 H new ATOM 438 N CYS A 28 3.028 4.044 -1.350 1.00 0.00 N ATOM 439 CA CYS A 28 3.525 3.896 -2.721 1.00 0.00 C ATOM 440 C CYS A 28 4.807 4.677 -2.903 1.00 0.00 C ATOM 441 O CYS A 28 4.802 5.839 -2.537 1.00 0.00 O ATOM 442 CB CYS A 28 2.546 4.443 -3.799 1.00 0.00 C ATOM 443 SG CYS A 28 3.032 3.672 -5.388 1.00 0.00 S ATOM 0 H CYS A 28 2.780 5.004 -1.109 1.00 0.00 H new ATOM 0 HA CYS A 28 3.659 2.823 -2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.515 4.195 -3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.606 5.530 -3.861 1.00 0.00 H new ATOM 448 N MET A 29 5.882 4.083 -3.482 1.00 0.00 N ATOM 449 CA MET A 29 7.074 4.859 -3.839 1.00 0.00 C ATOM 450 C MET A 29 7.339 4.616 -5.305 1.00 0.00 C ATOM 451 O MET A 29 6.782 3.664 -5.824 1.00 0.00 O ATOM 452 CB MET A 29 8.283 4.449 -2.959 1.00 0.00 C ATOM 453 CG MET A 29 8.146 4.995 -1.512 1.00 0.00 C ATOM 454 SD MET A 29 8.596 6.767 -1.438 1.00 0.00 S ATOM 455 CE MET A 29 7.020 7.650 -1.199 1.00 0.00 C ATOM 0 H MET A 29 5.939 3.089 -3.704 1.00 0.00 H new ATOM 0 HA MET A 29 6.915 5.923 -3.660 1.00 0.00 H new ATOM 0 HB2 MET A 29 8.363 3.362 -2.933 1.00 0.00 H new ATOM 0 HB3 MET A 29 9.203 4.826 -3.405 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.122 4.861 -1.164 1.00 0.00 H new ATOM 0 HG3 MET A 29 8.788 4.424 -0.841 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.218 8.650 -0.814 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.497 7.726 -2.152 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.401 7.103 -0.488 1.00 0.00 H new ATOM 465 N ASN A 30 8.153 5.456 -5.989 1.00 0.00 N ATOM 466 CA ASN A 30 8.359 5.277 -7.428 1.00 0.00 C ATOM 467 C ASN A 30 6.996 5.125 -8.074 1.00 0.00 C ATOM 468 O ASN A 30 6.292 6.122 -8.107 1.00 0.00 O ATOM 469 CB ASN A 30 9.386 4.133 -7.655 1.00 0.00 C ATOM 470 CG ASN A 30 9.645 3.856 -9.120 1.00 0.00 C ATOM 471 OD1 ASN A 30 9.402 4.727 -9.941 1.00 0.00 O ATOM 472 ND2 ASN A 30 10.139 2.651 -9.485 1.00 0.00 N ATOM 0 H ASN A 30 8.659 6.238 -5.574 1.00 0.00 H new ATOM 0 HA ASN A 30 8.815 6.136 -7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.326 4.393 -7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.021 3.224 -7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.318 2.450 -10.469 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.332 1.943 -8.776 1.00 0.00 H new ATOM 479 N GLY A 31 6.572 3.930 -8.555 1.00 0.00 N ATOM 480 CA GLY A 31 5.185 3.747 -8.977 1.00 0.00 C ATOM 481 C GLY A 31 4.626 2.414 -8.533 1.00 0.00 C ATOM 482 O GLY A 31 3.679 1.971 -9.163 1.00 0.00 O ATOM 0 H GLY A 31 7.163 3.105 -8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.573 4.551 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.124 3.822 -10.063 1.00 0.00 H new ATOM 486 N LYS A 32 5.155 1.771 -7.463 1.00 0.00 N ATOM 487 CA LYS A 32 4.688 0.447 -7.048 1.00 0.00 C ATOM 488 C LYS A 32 4.306 0.530 -5.588 1.00 0.00 C ATOM 489 O LYS A 32 4.860 1.392 -4.920 1.00 0.00 O ATOM 490 CB LYS A 32 5.835 -0.584 -7.240 1.00 0.00 C ATOM 491 CG LYS A 32 6.438 -0.627 -8.682 1.00 0.00 C ATOM 492 CD LYS A 32 5.921 -1.751 -9.622 1.00 0.00 C ATOM 493 CE LYS A 32 4.485 -1.550 -10.162 1.00 0.00 C ATOM 494 NZ LYS A 32 4.399 -0.411 -11.098 1.00 0.00 N ATOM 0 H LYS A 32 5.900 2.154 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 32 3.831 0.132 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.633 -0.356 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.460 -1.576 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.244 0.333 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.520 -0.727 -8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.602 -1.836 -10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.961 -2.699 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.157 -2.459 -10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.804 -1.385 -9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.671 -0.605 -11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.148 0.451 -10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.318 -0.276 -11.566 1.00 0.00 H new ATOM 508 N CYS A 33 3.381 -0.333 -5.089 1.00 0.00 N ATOM 509 CA CYS A 33 2.925 -0.228 -3.703 1.00 0.00 C ATOM 510 C CYS A 33 3.553 -1.289 -2.821 1.00 0.00 C ATOM 511 O CYS A 33 3.712 -2.417 -3.262 1.00 0.00 O ATOM 512 CB CYS A 33 1.378 -0.100 -3.583 1.00 0.00 C ATOM 513 SG CYS A 33 0.905 1.638 -3.846 1.00 0.00 S ATOM 0 H CYS A 33 2.953 -1.089 -5.623 1.00 0.00 H new ATOM 0 HA CYS A 33 3.292 0.719 -3.307 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.889 -0.739 -4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.048 -0.436 -2.600 1.00 0.00 H new ATOM 518 N HIS A 34 3.931 -0.916 -1.573 1.00 0.00 N ATOM 519 CA HIS A 34 4.621 -1.811 -0.650 1.00 0.00 C ATOM 520 C HIS A 34 3.828 -1.779 0.637 1.00 0.00 C ATOM 521 O HIS A 34 3.762 -0.718 1.248 1.00 0.00 O ATOM 522 CB HIS A 34 6.070 -1.274 -0.450 1.00 0.00 C ATOM 523 CG HIS A 34 6.879 -1.655 -1.667 1.00 0.00 C ATOM 524 ND1 HIS A 34 7.804 -2.587 -1.656 1.00 0.00 N ATOM 525 CD2 HIS A 34 6.762 -1.135 -2.906 1.00 0.00 C ATOM 526 CE1 HIS A 34 8.280 -2.743 -2.850 1.00 0.00 C ATOM 527 NE2 HIS A 34 7.726 -1.926 -3.625 1.00 0.00 N ATOM 0 H HIS A 34 3.760 0.015 -1.192 1.00 0.00 H new ATOM 0 HA HIS A 34 4.692 -2.836 -1.013 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.061 -0.192 -0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.513 -1.699 0.451 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.121 -0.342 -3.261 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.034 -3.462 -3.134 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.929 -1.836 -4.620 1.00 0.00 H new ATOM 535 N CYS A 35 3.214 -2.925 1.038 1.00 0.00 N ATOM 536 CA CYS A 35 2.517 -2.993 2.321 1.00 0.00 C ATOM 537 C CYS A 35 3.173 -3.999 3.241 1.00 0.00 C ATOM 538 O CYS A 35 3.881 -4.854 2.730 1.00 0.00 O ATOM 539 CB CYS A 35 1.014 -3.277 2.061 1.00 0.00 C ATOM 540 SG CYS A 35 0.366 -1.906 1.037 1.00 0.00 S ATOM 0 H CYS A 35 3.195 -3.788 0.495 1.00 0.00 H new ATOM 0 HA CYS A 35 2.586 -2.038 2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.887 -4.231 1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.468 -3.344 3.002 1.00 0.00 H new ATOM 545 N THR A 36 2.968 -3.889 4.584 1.00 0.00 N ATOM 546 CA THR A 36 3.624 -4.810 5.527 1.00 0.00 C ATOM 547 C THR A 36 2.627 -5.315 6.554 1.00 0.00 C ATOM 548 O THR A 36 1.852 -4.478 6.998 1.00 0.00 O ATOM 549 CB THR A 36 4.871 -4.196 6.222 1.00 0.00 C ATOM 550 OG1 THR A 36 4.452 -3.254 7.221 1.00 0.00 O ATOM 551 CG2 THR A 36 5.808 -3.514 5.190 1.00 0.00 C ATOM 0 H THR A 36 2.368 -3.188 5.019 1.00 0.00 H new ATOM 0 HA THR A 36 3.990 -5.650 4.937 1.00 0.00 H new ATOM 0 HB THR A 36 5.433 -4.999 6.699 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.240 -2.869 7.659 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.672 -3.093 5.705 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.144 -4.251 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.267 -2.718 4.678 1.00 0.00 H new ATOM 559 N PRO A 37 2.603 -6.630 6.935 1.00 0.00 N ATOM 560 CA PRO A 37 1.494 -7.168 7.711 1.00 0.00 C ATOM 561 C PRO A 37 1.467 -6.665 9.129 1.00 0.00 C ATOM 562 O PRO A 37 2.520 -6.304 9.628 1.00 0.00 O ATOM 563 CB PRO A 37 1.786 -8.688 7.661 1.00 0.00 C ATOM 564 CG PRO A 37 3.323 -8.744 7.537 1.00 0.00 C ATOM 565 CD PRO A 37 3.634 -7.591 6.554 1.00 0.00 C ATOM 0 HA PRO A 37 0.520 -6.878 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.435 -9.196 8.559 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.295 -9.165 6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.811 -8.596 8.500 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.662 -9.706 7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.640 -7.194 6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.548 -7.900 5.512 1.00 0.00 H new ATOM 573 N LYS A 38 0.278 -6.651 9.783 1.00 0.00 N ATOM 574 CA LYS A 38 0.232 -6.299 11.201 1.00 0.00 C ATOM 575 C LYS A 38 0.357 -7.582 11.980 1.00 0.00 C ATOM 576 O LYS A 38 1.327 -7.804 12.686 1.00 0.00 O ATOM 577 CB LYS A 38 -1.101 -5.589 11.564 1.00 0.00 C ATOM 578 CG LYS A 38 -1.087 -5.064 13.027 1.00 0.00 C ATOM 579 CD LYS A 38 -2.424 -4.370 13.402 1.00 0.00 C ATOM 580 CE LYS A 38 -2.360 -3.769 14.832 1.00 0.00 C ATOM 581 NZ LYS A 38 -1.311 -2.732 14.918 1.00 0.00 N ATOM 582 OXT LYS A 38 -0.610 -8.491 11.897 1.00 0.00 O ATOM 0 H LYS A 38 -0.623 -6.872 9.360 1.00 0.00 H new ATOM 0 HA LYS A 38 1.041 -5.608 11.439 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.270 -4.758 10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.931 -6.283 11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.904 -5.894 13.709 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.264 -4.360 13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.642 -3.581 12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.240 -5.090 13.343 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.326 -3.338 15.094 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.157 -4.559 15.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.467 -2.150 15.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.377 -3.187 14.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.349 -2.128 14.072 1.00 0.00 H new TER 596 LYS A 38