USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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 LEU N :NH3+ -146:sc= -1.06 (180deg=-1.96!) USER MOD Single : A 2 LYS NZ :NH3+ -114:sc= -0.298 (180deg=-2.21!) USER MOD Single : A 4 ASN : amide:sc= -7.38! C(o=-7.4!,f=-20!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 40:sc= 0.109 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -8.87! C(o=-8.9!,f=-11!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= -0.794 (180deg=-0.797) USER MOD Single : A 24 MET CE :methyl 163:sc= -0.0242 (180deg=-0.524) USER MOD Single : A 26 MET CE :methyl -132:sc= -1.08 (180deg=-3.58!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -2.33! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 34:sc= 0.466 USER MOD Single : A 46 SER OG : rot -160:sc= -2.54! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -101:sc= 0.151 USER MOD Single : A 55 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.9!) USER MOD Single : A 56 THR OG1 : rot 78:sc= 0.0949 USER MOD Single : A 60 ASN : amide:sc= -1.5! X(o=-1.5!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.510 -4.435 -0.718 1.00 0.00 N ATOM 2 CA LEU A 1 12.343 -3.870 -1.817 1.00 0.00 C ATOM 3 C LEU A 1 12.214 -2.346 -1.821 1.00 0.00 C ATOM 4 O LEU A 1 12.945 -1.651 -1.145 1.00 0.00 O ATOM 5 CB LEU A 1 11.865 -4.428 -3.160 1.00 0.00 C ATOM 6 CG LEU A 1 12.444 -5.828 -3.367 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.591 -6.587 -4.384 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.878 -5.714 -3.889 1.00 0.00 C ATOM 0 H1 LEU A 1 11.975 -5.280 -0.329 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.398 -3.724 0.033 1.00 0.00 H new ATOM 0 H3 LEU A 1 10.575 -4.696 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 1 13.386 -4.146 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.776 -4.467 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.178 -3.770 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 1 12.443 -6.366 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.003 -7.585 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 1 10.569 -6.668 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.592 -6.050 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.292 -6.712 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.878 -5.177 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.487 -5.172 -3.165 1.00 0.00 H new ATOM 22 N LYS A 2 11.289 -1.820 -2.577 1.00 0.00 N ATOM 23 CA LYS A 2 11.117 -0.341 -2.619 1.00 0.00 C ATOM 24 C LYS A 2 9.682 -0.005 -3.025 1.00 0.00 C ATOM 25 O LYS A 2 9.151 -0.547 -3.974 1.00 0.00 O ATOM 26 CB LYS A 2 12.091 0.256 -3.636 1.00 0.00 C ATOM 27 CG LYS A 2 11.876 1.767 -3.724 1.00 0.00 C ATOM 28 CD LYS A 2 13.137 2.430 -4.282 1.00 0.00 C ATOM 29 CE LYS A 2 13.346 3.785 -3.605 1.00 0.00 C ATOM 30 NZ LYS A 2 13.525 3.587 -2.139 1.00 0.00 N ATOM 0 H LYS A 2 10.646 -2.350 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 2 11.321 0.077 -1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.118 0.041 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.938 -0.201 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.022 1.987 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.646 2.170 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.003 1.790 -4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.045 2.561 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.221 4.282 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.490 4.433 -3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.723 4.012 -1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.568 2.569 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.409 4.042 -1.833 1.00 0.00 H new ATOM 44 N CYS A 3 9.049 0.885 -2.313 1.00 0.00 N ATOM 45 CA CYS A 3 7.645 1.255 -2.658 1.00 0.00 C ATOM 46 C CYS A 3 7.451 2.754 -2.445 1.00 0.00 C ATOM 47 O CYS A 3 8.365 3.464 -2.077 1.00 0.00 O ATOM 48 CB CYS A 3 6.639 0.495 -1.775 1.00 0.00 C ATOM 49 SG CYS A 3 7.487 -0.644 -0.647 1.00 0.00 S ATOM 0 H CYS A 3 9.441 1.373 -1.508 1.00 0.00 H new ATOM 0 HA CYS A 3 7.468 0.990 -3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.046 1.206 -1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.946 -0.062 -2.405 1.00 0.00 H new ATOM 54 N ASN A 4 6.263 3.237 -2.672 1.00 0.00 N ATOM 55 CA ASN A 4 6.000 4.689 -2.485 1.00 0.00 C ATOM 56 C ASN A 4 4.971 4.883 -1.370 1.00 0.00 C ATOM 57 O ASN A 4 3.859 4.398 -1.447 1.00 0.00 O ATOM 58 CB ASN A 4 5.456 5.276 -3.789 1.00 0.00 C ATOM 59 CG ASN A 4 6.189 6.580 -4.104 1.00 0.00 C ATOM 60 OD1 ASN A 4 7.250 6.838 -3.572 1.00 0.00 O ATOM 61 ND2 ASN A 4 5.666 7.420 -4.956 1.00 0.00 N ATOM 0 H ASN A 4 5.461 2.687 -2.980 1.00 0.00 H new ATOM 0 HA ASN A 4 6.926 5.196 -2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.589 4.565 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.385 5.460 -3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.148 8.292 -5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.775 7.204 -5.403 1.00 0.00 H new ATOM 68 N LYS A 5 5.329 5.594 -0.335 1.00 0.00 N ATOM 69 CA LYS A 5 4.369 5.823 0.778 1.00 0.00 C ATOM 70 C LYS A 5 3.746 7.212 0.617 1.00 0.00 C ATOM 71 O LYS A 5 3.899 7.851 -0.405 1.00 0.00 O ATOM 72 CB LYS A 5 5.104 5.735 2.119 1.00 0.00 C ATOM 73 CG LYS A 5 4.935 4.331 2.706 1.00 0.00 C ATOM 74 CD LYS A 5 3.825 4.343 3.760 1.00 0.00 C ATOM 75 CE LYS A 5 4.432 4.585 5.144 1.00 0.00 C ATOM 76 NZ LYS A 5 3.351 4.945 6.105 1.00 0.00 N ATOM 0 H LYS A 5 6.245 6.025 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 5 3.586 5.065 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.162 5.957 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.710 6.479 2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.691 3.622 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.871 3.998 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.099 5.123 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.288 3.394 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.954 3.691 5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.170 5.385 5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.763 5.109 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.872 5.809 5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.662 4.168 6.160 1.00 0.00 H new ATOM 90 N LEU A 6 3.038 7.684 1.606 1.00 0.00 N ATOM 91 CA LEU A 6 2.405 9.028 1.480 1.00 0.00 C ATOM 92 C LEU A 6 2.886 9.953 2.605 1.00 0.00 C ATOM 93 O LEU A 6 2.879 11.161 2.468 1.00 0.00 O ATOM 94 CB LEU A 6 0.881 8.878 1.549 1.00 0.00 C ATOM 95 CG LEU A 6 0.444 8.663 3.000 1.00 0.00 C ATOM 96 CD1 LEU A 6 0.057 10.007 3.621 1.00 0.00 C ATOM 97 CD2 LEU A 6 -0.763 7.723 3.031 1.00 0.00 C ATOM 0 H LEU A 6 2.871 7.202 2.489 1.00 0.00 H new ATOM 0 HA LEU A 6 2.689 9.467 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.400 9.768 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.562 8.036 0.935 1.00 0.00 H new ATOM 0 HG LEU A 6 1.265 8.224 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.254 9.854 4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.914 10.680 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.765 10.446 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.077 7.568 4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.583 8.165 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.490 6.766 2.587 1.00 0.00 H new ATOM 109 N VAL A 7 3.293 9.405 3.717 1.00 0.00 N ATOM 110 CA VAL A 7 3.757 10.269 4.842 1.00 0.00 C ATOM 111 C VAL A 7 5.259 10.623 4.724 1.00 0.00 C ATOM 112 O VAL A 7 5.656 11.679 5.174 1.00 0.00 O ATOM 113 CB VAL A 7 3.459 9.576 6.191 1.00 0.00 C ATOM 114 CG1 VAL A 7 2.247 8.657 6.035 1.00 0.00 C ATOM 115 CG2 VAL A 7 4.656 8.742 6.676 1.00 0.00 C ATOM 0 H VAL A 7 3.325 8.401 3.896 1.00 0.00 H new ATOM 0 HA VAL A 7 3.208 11.209 4.792 1.00 0.00 H new ATOM 0 HB VAL A 7 3.259 10.353 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.036 8.168 6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.381 9.245 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.458 7.902 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.409 8.270 7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.887 7.973 5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.522 9.391 6.807 1.00 0.00 H new ATOM 125 N PRO A 8 6.065 9.751 4.145 1.00 0.00 N ATOM 126 CA PRO A 8 7.513 10.007 4.010 1.00 0.00 C ATOM 127 C PRO A 8 7.801 10.933 2.822 1.00 0.00 C ATOM 128 O PRO A 8 6.920 11.586 2.299 1.00 0.00 O ATOM 129 CB PRO A 8 8.105 8.618 3.766 1.00 0.00 C ATOM 130 CG PRO A 8 6.957 7.746 3.207 1.00 0.00 C ATOM 131 CD PRO A 8 5.639 8.450 3.582 1.00 0.00 C ATOM 0 HA PRO A 8 7.934 10.503 4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.934 8.668 3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.499 8.196 4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.044 7.639 2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.993 6.742 3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.998 8.585 2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.071 7.869 4.309 1.00 0.00 H new ATOM 139 N LEU A 9 9.035 10.990 2.398 1.00 0.00 N ATOM 140 CA LEU A 9 9.401 11.867 1.249 1.00 0.00 C ATOM 141 C LEU A 9 8.695 11.379 -0.017 1.00 0.00 C ATOM 142 O LEU A 9 7.899 12.084 -0.608 1.00 0.00 O ATOM 143 CB LEU A 9 10.916 11.813 1.038 1.00 0.00 C ATOM 144 CG LEU A 9 11.483 13.234 1.003 1.00 0.00 C ATOM 145 CD1 LEU A 9 10.846 14.013 -0.150 1.00 0.00 C ATOM 146 CD2 LEU A 9 11.173 13.938 2.325 1.00 0.00 C ATOM 0 H LEU A 9 9.810 10.463 2.801 1.00 0.00 H new ATOM 0 HA LEU A 9 9.094 12.891 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.385 11.244 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.145 11.297 0.106 1.00 0.00 H new ATOM 0 HG LEU A 9 12.562 13.190 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.251 15.025 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.066 13.512 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.766 14.058 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.576 14.950 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.094 13.981 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.628 13.385 3.147 1.00 0.00 H new ATOM 158 N PHE A 10 8.982 10.179 -0.441 1.00 0.00 N ATOM 159 CA PHE A 10 8.333 9.646 -1.671 1.00 0.00 C ATOM 160 C PHE A 10 8.290 8.119 -1.598 1.00 0.00 C ATOM 161 O PHE A 10 7.263 7.529 -1.327 1.00 0.00 O ATOM 162 CB PHE A 10 9.144 10.071 -2.897 1.00 0.00 C ATOM 163 CG PHE A 10 8.500 11.277 -3.538 1.00 0.00 C ATOM 164 CD1 PHE A 10 8.752 12.558 -3.030 1.00 0.00 C ATOM 165 CD2 PHE A 10 7.654 11.115 -4.641 1.00 0.00 C ATOM 166 CE1 PHE A 10 8.157 13.676 -3.626 1.00 0.00 C ATOM 167 CE2 PHE A 10 7.059 12.234 -5.237 1.00 0.00 C ATOM 168 CZ PHE A 10 7.310 13.514 -4.729 1.00 0.00 C ATOM 0 H PHE A 10 9.639 9.544 0.012 1.00 0.00 H new ATOM 0 HA PHE A 10 7.319 10.038 -1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.168 10.305 -2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.196 9.251 -3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.405 12.683 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.460 10.127 -5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.351 14.664 -3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.407 12.109 -6.089 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.850 14.377 -5.188 1.00 0.00 H new ATOM 178 N TYR A 11 9.400 7.475 -1.834 1.00 0.00 N ATOM 179 CA TYR A 11 9.427 5.987 -1.774 1.00 0.00 C ATOM 180 C TYR A 11 10.573 5.537 -0.870 1.00 0.00 C ATOM 181 O TYR A 11 11.599 6.182 -0.783 1.00 0.00 O ATOM 182 CB TYR A 11 9.626 5.407 -3.180 1.00 0.00 C ATOM 183 CG TYR A 11 10.362 6.399 -4.049 1.00 0.00 C ATOM 184 CD1 TYR A 11 11.708 6.688 -3.797 1.00 0.00 C ATOM 185 CD2 TYR A 11 9.696 7.028 -5.107 1.00 0.00 C ATOM 186 CE1 TYR A 11 12.388 7.608 -4.604 1.00 0.00 C ATOM 187 CE2 TYR A 11 10.376 7.947 -5.914 1.00 0.00 C ATOM 188 CZ TYR A 11 11.722 8.237 -5.662 1.00 0.00 C ATOM 189 OH TYR A 11 12.392 9.141 -6.459 1.00 0.00 O ATOM 0 H TYR A 11 10.290 7.916 -2.066 1.00 0.00 H new ATOM 0 HA TYR A 11 8.479 5.628 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.188 4.475 -3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.660 5.169 -3.624 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.222 6.202 -2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.657 6.804 -5.301 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.427 7.832 -4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.863 8.432 -6.731 1.00 0.00 H new ATOM 0 HH TYR A 11 11.784 9.484 -7.147 1.00 0.00 H new ATOM 199 N LYS A 12 10.406 4.436 -0.192 1.00 0.00 N ATOM 200 CA LYS A 12 11.486 3.947 0.711 1.00 0.00 C ATOM 201 C LYS A 12 11.818 2.493 0.372 1.00 0.00 C ATOM 202 O LYS A 12 11.225 1.900 -0.508 1.00 0.00 O ATOM 203 CB LYS A 12 11.012 4.035 2.162 1.00 0.00 C ATOM 204 CG LYS A 12 9.682 3.292 2.309 1.00 0.00 C ATOM 205 CD LYS A 12 9.204 3.378 3.760 1.00 0.00 C ATOM 206 CE LYS A 12 10.147 2.575 4.658 1.00 0.00 C ATOM 207 NZ LYS A 12 9.361 1.580 5.441 1.00 0.00 N ATOM 0 H LYS A 12 9.569 3.854 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 12 12.376 4.562 0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.759 3.601 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.893 5.078 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.936 3.726 1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.802 2.249 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.176 4.419 4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.189 2.991 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.897 2.066 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.681 3.244 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.002 1.034 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.661 2.076 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.870 0.935 4.789 1.00 0.00 H new ATOM 221 N THR A 13 12.759 1.912 1.066 1.00 0.00 N ATOM 222 CA THR A 13 13.124 0.497 0.783 1.00 0.00 C ATOM 223 C THR A 13 12.715 -0.380 1.970 1.00 0.00 C ATOM 224 O THR A 13 12.895 -0.015 3.115 1.00 0.00 O ATOM 225 CB THR A 13 14.640 0.392 0.549 1.00 0.00 C ATOM 226 OG1 THR A 13 14.916 -0.770 -0.220 1.00 0.00 O ATOM 227 CG2 THR A 13 15.380 0.305 1.890 1.00 0.00 C ATOM 0 H THR A 13 13.289 2.356 1.815 1.00 0.00 H new ATOM 0 HA THR A 13 12.603 0.156 -0.112 1.00 0.00 H new ATOM 0 HB THR A 13 14.980 1.279 0.015 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.232 -0.873 -0.914 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.452 0.231 1.710 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.172 1.198 2.479 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.042 -0.576 2.435 1.00 0.00 H new ATOM 235 N CYS A 14 12.170 -1.534 1.706 1.00 0.00 N ATOM 236 CA CYS A 14 11.759 -2.431 2.820 1.00 0.00 C ATOM 237 C CYS A 14 12.039 -3.891 2.445 1.00 0.00 C ATOM 238 O CYS A 14 11.163 -4.727 2.542 1.00 0.00 O ATOM 239 CB CYS A 14 10.260 -2.255 3.097 1.00 0.00 C ATOM 240 SG CYS A 14 9.395 -1.830 1.562 1.00 0.00 S ATOM 0 H CYS A 14 11.992 -1.894 0.768 1.00 0.00 H new ATOM 0 HA CYS A 14 12.328 -2.173 3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.848 -3.174 3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.108 -1.471 3.839 1.00 0.00 H new ATOM 245 N PRO A 15 13.257 -4.161 2.037 1.00 0.00 N ATOM 246 CA PRO A 15 13.676 -5.521 1.654 1.00 0.00 C ATOM 247 C PRO A 15 13.949 -6.353 2.908 1.00 0.00 C ATOM 248 O PRO A 15 13.692 -7.540 2.951 1.00 0.00 O ATOM 249 CB PRO A 15 14.970 -5.293 0.869 1.00 0.00 C ATOM 250 CG PRO A 15 15.520 -3.924 1.331 1.00 0.00 C ATOM 251 CD PRO A 15 14.328 -3.147 1.918 1.00 0.00 C ATOM 0 HA PRO A 15 12.923 -6.058 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.690 -6.088 1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.779 -5.294 -0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.304 -4.053 2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.962 -3.382 0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 15 14.574 -2.712 2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 15 14.028 -2.326 1.267 1.00 0.00 H new ATOM 259 N ALA A 16 14.470 -5.731 3.929 1.00 0.00 N ATOM 260 CA ALA A 16 14.766 -6.470 5.188 1.00 0.00 C ATOM 261 C ALA A 16 13.693 -6.152 6.228 1.00 0.00 C ATOM 262 O ALA A 16 13.173 -7.029 6.888 1.00 0.00 O ATOM 263 CB ALA A 16 16.136 -6.042 5.720 1.00 0.00 C ATOM 0 H ALA A 16 14.704 -4.738 3.945 1.00 0.00 H new ATOM 0 HA ALA A 16 14.773 -7.542 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 16 16.354 -6.582 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.901 -6.268 4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.130 -4.971 5.920 1.00 0.00 H new ATOM 269 N GLY A 17 13.355 -4.902 6.377 1.00 0.00 N ATOM 270 CA GLY A 17 12.311 -4.526 7.373 1.00 0.00 C ATOM 271 C GLY A 17 11.023 -5.291 7.066 1.00 0.00 C ATOM 272 O GLY A 17 10.509 -6.021 7.890 1.00 0.00 O ATOM 0 H GLY A 17 13.756 -4.124 5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.654 -4.757 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.127 -3.452 7.337 1.00 0.00 H new ATOM 276 N LYS A 18 10.501 -5.132 5.881 1.00 0.00 N ATOM 277 CA LYS A 18 9.251 -5.851 5.509 1.00 0.00 C ATOM 278 C LYS A 18 9.543 -6.777 4.327 1.00 0.00 C ATOM 279 O LYS A 18 10.684 -6.994 3.969 1.00 0.00 O ATOM 280 CB LYS A 18 8.177 -4.836 5.116 1.00 0.00 C ATOM 281 CG LYS A 18 7.923 -3.887 6.289 1.00 0.00 C ATOM 282 CD LYS A 18 7.176 -4.632 7.397 1.00 0.00 C ATOM 283 CE LYS A 18 7.243 -3.821 8.693 1.00 0.00 C ATOM 284 NZ LYS A 18 7.367 -4.750 9.853 1.00 0.00 N ATOM 0 H LYS A 18 10.888 -4.533 5.152 1.00 0.00 H new ATOM 0 HA LYS A 18 8.895 -6.438 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.497 -4.272 4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.256 -5.351 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.869 -3.501 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.339 -3.029 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.137 -4.789 7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.617 -5.617 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.094 -3.140 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.348 -3.208 8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.413 -4.200 10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.542 -5.382 9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.233 -5.316 9.753 1.00 0.00 H new ATOM 298 N ASN A 19 8.531 -7.331 3.718 1.00 0.00 N ATOM 299 CA ASN A 19 8.780 -8.243 2.565 1.00 0.00 C ATOM 300 C ASN A 19 7.830 -7.915 1.410 1.00 0.00 C ATOM 301 O ASN A 19 7.919 -8.497 0.348 1.00 0.00 O ATOM 302 CB ASN A 19 8.578 -9.704 2.990 1.00 0.00 C ATOM 303 CG ASN A 19 7.728 -9.778 4.262 1.00 0.00 C ATOM 304 OD1 ASN A 19 8.035 -9.141 5.250 1.00 0.00 O ATOM 305 ND2 ASN A 19 6.668 -10.537 4.281 1.00 0.00 N ATOM 0 H ASN A 19 7.551 -7.194 3.965 1.00 0.00 H new ATOM 0 HA ASN A 19 9.809 -8.102 2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.092 -10.259 2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.545 -10.176 3.163 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.098 -10.595 5.125 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.409 -11.072 3.452 1.00 0.00 H new ATOM 312 N LEU A 20 6.923 -6.991 1.592 1.00 0.00 N ATOM 313 CA LEU A 20 5.994 -6.660 0.474 1.00 0.00 C ATOM 314 C LEU A 20 5.466 -5.232 0.625 1.00 0.00 C ATOM 315 O LEU A 20 5.401 -4.693 1.710 1.00 0.00 O ATOM 316 CB LEU A 20 4.817 -7.636 0.483 1.00 0.00 C ATOM 317 CG LEU A 20 4.451 -8.002 -0.956 1.00 0.00 C ATOM 318 CD1 LEU A 20 5.470 -9.002 -1.504 1.00 0.00 C ATOM 319 CD2 LEU A 20 3.056 -8.629 -0.983 1.00 0.00 C ATOM 0 H LEU A 20 6.787 -6.460 2.452 1.00 0.00 H new ATOM 0 HA LEU A 20 6.536 -6.741 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.079 -8.534 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.960 -7.186 0.985 1.00 0.00 H new ATOM 0 HG LEU A 20 4.458 -7.103 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.209 -9.263 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.464 -8.556 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.464 -9.902 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.794 -8.890 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.049 -9.528 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.329 -7.916 -0.593 1.00 0.00 H new ATOM 331 N CYS A 21 5.076 -4.625 -0.463 1.00 0.00 N ATOM 332 CA CYS A 21 4.530 -3.241 -0.403 1.00 0.00 C ATOM 333 C CYS A 21 3.025 -3.316 -0.627 1.00 0.00 C ATOM 334 O CYS A 21 2.576 -3.582 -1.717 1.00 0.00 O ATOM 335 CB CYS A 21 5.176 -2.390 -1.497 1.00 0.00 C ATOM 336 SG CYS A 21 6.977 -2.472 -1.334 1.00 0.00 S ATOM 0 H CYS A 21 5.113 -5.033 -1.397 1.00 0.00 H new ATOM 0 HA CYS A 21 4.743 -2.788 0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.872 -2.749 -2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.839 -1.357 -1.417 1.00 0.00 H new ATOM 341 N TYR A 22 2.242 -3.116 0.401 1.00 0.00 N ATOM 342 CA TYR A 22 0.763 -3.223 0.238 1.00 0.00 C ATOM 343 C TYR A 22 0.108 -1.845 0.110 1.00 0.00 C ATOM 344 O TYR A 22 0.664 -0.834 0.489 1.00 0.00 O ATOM 345 CB TYR A 22 0.175 -3.974 1.442 1.00 0.00 C ATOM 346 CG TYR A 22 -0.053 -3.037 2.615 1.00 0.00 C ATOM 347 CD1 TYR A 22 0.779 -1.927 2.819 1.00 0.00 C ATOM 348 CD2 TYR A 22 -1.103 -3.292 3.506 1.00 0.00 C ATOM 349 CE1 TYR A 22 0.558 -1.076 3.910 1.00 0.00 C ATOM 350 CE2 TYR A 22 -1.322 -2.442 4.596 1.00 0.00 C ATOM 351 CZ TYR A 22 -0.492 -1.334 4.798 1.00 0.00 C ATOM 352 OH TYR A 22 -0.707 -0.497 5.874 1.00 0.00 O ATOM 0 H TYR A 22 2.561 -2.884 1.342 1.00 0.00 H new ATOM 0 HA TYR A 22 0.558 -3.771 -0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.768 -4.441 1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.851 -4.776 1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.591 -1.728 2.135 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.745 -4.147 3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.199 -0.220 4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.132 -2.641 5.282 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.476 -0.818 6.390 1.00 0.00 H new ATOM 362 N LYS A 23 -1.087 -1.816 -0.415 1.00 0.00 N ATOM 363 CA LYS A 23 -1.817 -0.530 -0.567 1.00 0.00 C ATOM 364 C LYS A 23 -3.235 -0.711 -0.026 1.00 0.00 C ATOM 365 O LYS A 23 -3.707 -1.820 0.138 1.00 0.00 O ATOM 366 CB LYS A 23 -1.879 -0.138 -2.045 1.00 0.00 C ATOM 367 CG LYS A 23 -2.742 1.117 -2.203 1.00 0.00 C ATOM 368 CD LYS A 23 -2.704 1.588 -3.658 1.00 0.00 C ATOM 369 CE LYS A 23 -1.804 2.821 -3.773 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.649 2.512 -4.662 1.00 0.00 N ATOM 0 H LYS A 23 -1.591 -2.638 -0.748 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.301 0.256 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.875 0.048 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.296 -0.956 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.769 0.904 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.377 1.906 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.330 0.790 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.711 1.827 -4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.370 3.662 -4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.448 3.118 -2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.011 3.332 -4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.134 1.689 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.995 2.298 -5.619 1.00 0.00 H new ATOM 384 N MET A 24 -3.921 0.360 0.256 1.00 0.00 N ATOM 385 CA MET A 24 -5.306 0.232 0.790 1.00 0.00 C ATOM 386 C MET A 24 -6.144 1.422 0.326 1.00 0.00 C ATOM 387 O MET A 24 -5.945 2.542 0.759 1.00 0.00 O ATOM 388 CB MET A 24 -5.264 0.203 2.320 1.00 0.00 C ATOM 389 CG MET A 24 -5.166 -1.246 2.802 1.00 0.00 C ATOM 390 SD MET A 24 -4.061 -1.331 4.233 1.00 0.00 S ATOM 391 CE MET A 24 -5.245 -2.048 5.399 1.00 0.00 C ATOM 0 H MET A 24 -3.585 1.316 0.141 1.00 0.00 H new ATOM 0 HA MET A 24 -5.752 -0.692 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.410 0.776 2.682 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.159 0.673 2.728 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.155 -1.619 3.069 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.791 -1.883 2.001 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.709 -2.464 6.252 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.931 -1.274 5.744 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.809 -2.839 4.904 1.00 0.00 H new ATOM 401 N PHE A 25 -7.081 1.186 -0.552 1.00 0.00 N ATOM 402 CA PHE A 25 -7.938 2.299 -1.049 1.00 0.00 C ATOM 403 C PHE A 25 -9.408 1.958 -0.795 1.00 0.00 C ATOM 404 O PHE A 25 -9.802 0.809 -0.820 1.00 0.00 O ATOM 405 CB PHE A 25 -7.706 2.490 -2.550 1.00 0.00 C ATOM 406 CG PHE A 25 -7.689 1.146 -3.236 1.00 0.00 C ATOM 407 CD1 PHE A 25 -8.871 0.406 -3.358 1.00 0.00 C ATOM 408 CD2 PHE A 25 -6.491 0.640 -3.754 1.00 0.00 C ATOM 409 CE1 PHE A 25 -8.854 -0.840 -3.997 1.00 0.00 C ATOM 410 CE2 PHE A 25 -6.474 -0.605 -4.394 1.00 0.00 C ATOM 411 CZ PHE A 25 -7.656 -1.345 -4.515 1.00 0.00 C ATOM 0 H PHE A 25 -7.290 0.269 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.683 3.220 -0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.492 3.115 -2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.762 3.008 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.796 0.796 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.579 1.211 -3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.766 -1.411 -4.090 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.549 -0.994 -4.794 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.643 -2.306 -5.008 1.00 0.00 H new ATOM 421 N MET A 26 -10.225 2.947 -0.548 1.00 0.00 N ATOM 422 CA MET A 26 -11.667 2.672 -0.290 1.00 0.00 C ATOM 423 C MET A 26 -12.500 3.126 -1.490 1.00 0.00 C ATOM 424 O MET A 26 -12.101 3.993 -2.246 1.00 0.00 O ATOM 425 CB MET A 26 -12.126 3.423 0.964 1.00 0.00 C ATOM 426 CG MET A 26 -11.304 4.704 1.133 1.00 0.00 C ATOM 427 SD MET A 26 -11.817 5.552 2.648 1.00 0.00 S ATOM 428 CE MET A 26 -13.373 6.224 2.016 1.00 0.00 C ATOM 0 H MET A 26 -9.957 3.930 -0.514 1.00 0.00 H new ATOM 0 HA MET A 26 -11.803 1.601 -0.137 1.00 0.00 H new ATOM 0 HB2 MET A 26 -13.185 3.668 0.885 1.00 0.00 H new ATOM 0 HB3 MET A 26 -12.010 2.788 1.842 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.242 4.464 1.179 1.00 0.00 H new ATOM 0 HG3 MET A 26 -11.446 5.357 0.272 1.00 0.00 H new ATOM 0 HE1 MET A 26 -13.442 7.282 2.270 1.00 0.00 H new ATOM 0 HE2 MET A 26 -13.406 6.108 0.933 1.00 0.00 H new ATOM 0 HE3 MET A 26 -14.210 5.688 2.464 1.00 0.00 H new ATOM 438 N VAL A 27 -13.655 2.543 -1.670 1.00 0.00 N ATOM 439 CA VAL A 27 -14.516 2.934 -2.821 1.00 0.00 C ATOM 440 C VAL A 27 -15.953 3.151 -2.341 1.00 0.00 C ATOM 441 O VAL A 27 -16.869 3.269 -3.131 1.00 0.00 O ATOM 442 CB VAL A 27 -14.491 1.826 -3.874 1.00 0.00 C ATOM 443 CG1 VAL A 27 -15.328 2.252 -5.081 1.00 0.00 C ATOM 444 CG2 VAL A 27 -13.046 1.581 -4.317 1.00 0.00 C ATOM 0 H VAL A 27 -14.038 1.813 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.139 3.859 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.904 0.910 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.311 1.463 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -16.356 2.431 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.914 3.167 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.025 0.791 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.635 2.497 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.448 1.280 -3.457 1.00 0.00 H new ATOM 454 N ALA A 28 -16.160 3.214 -1.052 1.00 0.00 N ATOM 455 CA ALA A 28 -17.540 3.436 -0.531 1.00 0.00 C ATOM 456 C ALA A 28 -18.183 4.587 -1.307 1.00 0.00 C ATOM 457 O ALA A 28 -19.389 4.680 -1.424 1.00 0.00 O ATOM 458 CB ALA A 28 -17.473 3.791 0.956 1.00 0.00 C ATOM 0 H ALA A 28 -15.436 3.122 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.134 2.531 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.481 3.953 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.005 2.974 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.885 4.699 1.087 1.00 0.00 H new ATOM 464 N THR A 29 -17.376 5.456 -1.849 1.00 0.00 N ATOM 465 CA THR A 29 -17.907 6.603 -2.636 1.00 0.00 C ATOM 466 C THR A 29 -16.726 7.411 -3.183 1.00 0.00 C ATOM 467 O THR A 29 -16.602 7.578 -4.380 1.00 0.00 O ATOM 468 CB THR A 29 -18.794 7.488 -1.755 1.00 0.00 C ATOM 469 OG1 THR A 29 -18.872 6.929 -0.451 1.00 0.00 O ATOM 470 CG2 THR A 29 -20.195 7.575 -2.363 1.00 0.00 C ATOM 0 H THR A 29 -16.359 5.419 -1.779 1.00 0.00 H new ATOM 0 HA THR A 29 -18.514 6.232 -3.462 1.00 0.00 H new ATOM 0 HB THR A 29 -18.365 8.488 -1.695 1.00 0.00 H new ATOM 0 HG1 THR A 29 -19.438 7.495 0.114 1.00 0.00 H new ATOM 0 HG21 THR A 29 -20.825 8.205 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 29 -20.132 8.006 -3.362 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.627 6.576 -2.425 1.00 0.00 H new ATOM 478 N PRO A 30 -15.876 7.872 -2.294 1.00 0.00 N ATOM 479 CA PRO A 30 -14.678 8.642 -2.673 1.00 0.00 C ATOM 480 C PRO A 30 -13.557 7.687 -3.103 1.00 0.00 C ATOM 481 O PRO A 30 -12.508 7.640 -2.493 1.00 0.00 O ATOM 482 CB PRO A 30 -14.290 9.363 -1.381 1.00 0.00 C ATOM 483 CG PRO A 30 -14.905 8.543 -0.223 1.00 0.00 C ATOM 484 CD PRO A 30 -16.031 7.687 -0.833 1.00 0.00 C ATOM 0 HA PRO A 30 -14.852 9.324 -3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.206 9.425 -1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.669 10.385 -1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.151 7.912 0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.297 9.202 0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.932 6.639 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -17.012 8.017 -0.491 1.00 0.00 H new ATOM 492 N LYS A 31 -13.773 6.922 -4.140 1.00 0.00 N ATOM 493 CA LYS A 31 -12.723 5.965 -4.600 1.00 0.00 C ATOM 494 C LYS A 31 -11.346 6.630 -4.526 1.00 0.00 C ATOM 495 O LYS A 31 -10.979 7.414 -5.378 1.00 0.00 O ATOM 496 CB LYS A 31 -13.013 5.553 -6.045 1.00 0.00 C ATOM 497 CG LYS A 31 -13.501 6.770 -6.834 1.00 0.00 C ATOM 498 CD LYS A 31 -13.387 6.487 -8.333 1.00 0.00 C ATOM 499 CE LYS A 31 -12.829 7.721 -9.044 1.00 0.00 C ATOM 500 NZ LYS A 31 -11.764 7.304 -9.999 1.00 0.00 N ATOM 0 H LYS A 31 -14.632 6.918 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.730 5.084 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.113 5.144 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.767 4.766 -6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.535 6.995 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.909 7.647 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.735 5.630 -8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.365 6.230 -8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.627 8.239 -9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.424 8.422 -8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.384 8.142 -10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.999 6.828 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.165 6.650 -10.702 1.00 0.00 H new ATOM 514 N VAL A 32 -10.582 6.326 -3.510 1.00 0.00 N ATOM 515 CA VAL A 32 -9.231 6.947 -3.384 1.00 0.00 C ATOM 516 C VAL A 32 -8.356 6.097 -2.454 1.00 0.00 C ATOM 517 O VAL A 32 -8.862 5.306 -1.684 1.00 0.00 O ATOM 518 CB VAL A 32 -9.377 8.357 -2.806 1.00 0.00 C ATOM 519 CG1 VAL A 32 -10.067 9.258 -3.831 1.00 0.00 C ATOM 520 CG2 VAL A 32 -10.221 8.299 -1.530 1.00 0.00 C ATOM 0 H VAL A 32 -10.834 5.677 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.761 7.001 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.391 8.759 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.172 10.262 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.469 9.298 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.053 8.856 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.326 9.302 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.207 7.898 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.732 7.655 -0.799 1.00 0.00 H new ATOM 530 N PRO A 33 -7.063 6.288 -2.557 1.00 0.00 N ATOM 531 CA PRO A 33 -6.082 5.554 -1.737 1.00 0.00 C ATOM 532 C PRO A 33 -6.035 6.134 -0.322 1.00 0.00 C ATOM 533 O PRO A 33 -6.467 7.244 -0.084 1.00 0.00 O ATOM 534 CB PRO A 33 -4.758 5.781 -2.471 1.00 0.00 C ATOM 535 CG PRO A 33 -4.943 7.061 -3.320 1.00 0.00 C ATOM 536 CD PRO A 33 -6.460 7.256 -3.498 1.00 0.00 C ATOM 0 HA PRO A 33 -6.320 4.496 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.937 5.899 -1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.513 4.928 -3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.497 7.923 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.449 6.959 -4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.760 8.278 -3.265 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.769 7.059 -4.525 1.00 0.00 H new ATOM 544 N VAL A 34 -5.524 5.392 0.624 1.00 0.00 N ATOM 545 CA VAL A 34 -5.470 5.916 2.018 1.00 0.00 C ATOM 546 C VAL A 34 -4.290 5.302 2.780 1.00 0.00 C ATOM 547 O VAL A 34 -3.693 5.941 3.624 1.00 0.00 O ATOM 548 CB VAL A 34 -6.772 5.569 2.744 1.00 0.00 C ATOM 549 CG1 VAL A 34 -6.693 6.052 4.192 1.00 0.00 C ATOM 550 CG2 VAL A 34 -7.951 6.255 2.047 1.00 0.00 C ATOM 0 H VAL A 34 -5.145 4.454 0.493 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.341 6.998 1.978 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.917 4.489 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.620 5.805 4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.857 5.564 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.545 7.132 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.876 6.006 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.805 7.335 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.012 5.913 1.014 1.00 0.00 H new ATOM 560 N LYS A 35 -3.952 4.070 2.510 1.00 0.00 N ATOM 561 CA LYS A 35 -2.815 3.445 3.251 1.00 0.00 C ATOM 562 C LYS A 35 -1.932 2.636 2.299 1.00 0.00 C ATOM 563 O LYS A 35 -2.337 1.624 1.766 1.00 0.00 O ATOM 564 CB LYS A 35 -3.365 2.519 4.337 1.00 0.00 C ATOM 565 CG LYS A 35 -2.659 2.813 5.661 1.00 0.00 C ATOM 566 CD LYS A 35 -3.371 2.073 6.795 1.00 0.00 C ATOM 567 CE LYS A 35 -4.552 2.909 7.290 1.00 0.00 C ATOM 568 NZ LYS A 35 -4.914 2.485 8.672 1.00 0.00 N ATOM 0 H LYS A 35 -4.406 3.474 1.818 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.215 4.236 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.440 2.665 4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.212 1.478 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.616 2.500 5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.660 3.886 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.721 1.102 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.676 1.886 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.292 3.968 7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.405 2.783 6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.717 3.053 9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.178 1.479 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.100 2.627 9.303 1.00 0.00 H new ATOM 582 N ARG A 36 -0.718 3.069 2.097 1.00 0.00 N ATOM 583 CA ARG A 36 0.207 2.325 1.194 1.00 0.00 C ATOM 584 C ARG A 36 1.606 2.315 1.811 1.00 0.00 C ATOM 585 O ARG A 36 2.229 3.345 1.971 1.00 0.00 O ATOM 586 CB ARG A 36 0.259 3.022 -0.166 1.00 0.00 C ATOM 587 CG ARG A 36 0.219 4.537 0.034 1.00 0.00 C ATOM 588 CD ARG A 36 0.396 5.233 -1.316 1.00 0.00 C ATOM 589 NE ARG A 36 -0.457 6.453 -1.360 1.00 0.00 N ATOM 590 CZ ARG A 36 -0.757 6.997 -2.508 1.00 0.00 C ATOM 591 NH1 ARG A 36 -1.130 6.245 -3.508 1.00 0.00 N ATOM 592 NH2 ARG A 36 -0.686 8.292 -2.656 1.00 0.00 N ATOM 0 H ARG A 36 -0.325 3.910 2.520 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.148 1.302 1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.168 2.739 -0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.582 2.704 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.729 4.830 0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.008 4.845 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.442 5.502 -1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.123 4.556 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.806 6.863 -0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.187 5.233 -3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.365 6.669 -4.405 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.396 8.880 -1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.921 8.716 -3.553 1.00 0.00 H new ATOM 606 N GLY A 37 2.105 1.161 2.163 1.00 0.00 N ATOM 607 CA GLY A 37 3.464 1.098 2.774 1.00 0.00 C ATOM 608 C GLY A 37 4.064 -0.290 2.550 1.00 0.00 C ATOM 609 O GLY A 37 3.858 -0.907 1.524 1.00 0.00 O ATOM 0 H GLY A 37 1.633 0.263 2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.108 1.859 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.404 1.311 3.841 1.00 0.00 H new ATOM 613 N CYS A 38 4.806 -0.786 3.502 1.00 0.00 N ATOM 614 CA CYS A 38 5.418 -2.135 3.338 1.00 0.00 C ATOM 615 C CYS A 38 5.001 -3.039 4.498 1.00 0.00 C ATOM 616 O CYS A 38 5.296 -2.774 5.645 1.00 0.00 O ATOM 617 CB CYS A 38 6.941 -2.012 3.317 1.00 0.00 C ATOM 618 SG CYS A 38 7.574 -2.678 1.758 1.00 0.00 S ATOM 0 H CYS A 38 5.014 -0.317 4.384 1.00 0.00 H new ATOM 0 HA CYS A 38 5.074 -2.568 2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.234 -0.968 3.425 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.373 -2.553 4.159 1.00 0.00 H new ATOM 623 N ILE A 39 4.319 -4.108 4.201 1.00 0.00 N ATOM 624 CA ILE A 39 3.882 -5.043 5.271 1.00 0.00 C ATOM 625 C ILE A 39 4.455 -6.435 4.983 1.00 0.00 C ATOM 626 O ILE A 39 4.907 -6.717 3.887 1.00 0.00 O ATOM 627 CB ILE A 39 2.350 -5.103 5.286 1.00 0.00 C ATOM 628 CG1 ILE A 39 1.867 -5.750 6.587 1.00 0.00 C ATOM 629 CG2 ILE A 39 1.857 -5.927 4.094 1.00 0.00 C ATOM 630 CD1 ILE A 39 0.340 -5.825 6.582 1.00 0.00 C ATOM 0 H ILE A 39 4.044 -4.375 3.256 1.00 0.00 H new ATOM 0 HA ILE A 39 4.240 -4.699 6.241 1.00 0.00 H new ATOM 0 HB ILE A 39 1.953 -4.090 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.291 -6.749 6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.211 -5.170 7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.768 -5.969 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.192 -5.462 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.260 -6.938 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.005 -6.286 7.508 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.073 -4.820 6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.008 -6.423 5.734 1.00 0.00 H new ATOM 642 N ASP A 40 4.434 -7.307 5.952 1.00 0.00 N ATOM 643 CA ASP A 40 4.964 -8.678 5.729 1.00 0.00 C ATOM 644 C ASP A 40 3.878 -9.517 5.054 1.00 0.00 C ATOM 645 O ASP A 40 4.137 -10.563 4.493 1.00 0.00 O ATOM 646 CB ASP A 40 5.340 -9.307 7.074 1.00 0.00 C ATOM 647 CG ASP A 40 4.073 -9.564 7.891 1.00 0.00 C ATOM 648 OD1 ASP A 40 3.402 -8.602 8.227 1.00 0.00 O ATOM 649 OD2 ASP A 40 3.795 -10.720 8.169 1.00 0.00 O ATOM 0 H ASP A 40 4.072 -7.128 6.889 1.00 0.00 H new ATOM 0 HA ASP A 40 5.850 -8.638 5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.877 -10.242 6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.010 -8.645 7.622 1.00 0.00 H new ATOM 654 N VAL A 41 2.660 -9.057 5.102 1.00 0.00 N ATOM 655 CA VAL A 41 1.553 -9.814 4.465 1.00 0.00 C ATOM 656 C VAL A 41 0.366 -8.874 4.237 1.00 0.00 C ATOM 657 O VAL A 41 0.029 -8.068 5.082 1.00 0.00 O ATOM 658 CB VAL A 41 1.134 -10.967 5.377 1.00 0.00 C ATOM 659 CG1 VAL A 41 0.668 -10.411 6.723 1.00 0.00 C ATOM 660 CG2 VAL A 41 -0.007 -11.747 4.723 1.00 0.00 C ATOM 0 H VAL A 41 2.385 -8.187 5.557 1.00 0.00 H new ATOM 0 HA VAL A 41 1.884 -10.217 3.508 1.00 0.00 H new ATOM 0 HB VAL A 41 1.983 -11.632 5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.369 -11.234 7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.483 -9.857 7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.181 -9.745 6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.305 -12.569 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.857 -11.083 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.327 -12.145 3.765 1.00 0.00 H new ATOM 670 N CYS A 42 -0.266 -8.964 3.098 1.00 0.00 N ATOM 671 CA CYS A 42 -1.426 -8.071 2.816 1.00 0.00 C ATOM 672 C CYS A 42 -2.656 -8.570 3.580 1.00 0.00 C ATOM 673 O CYS A 42 -2.744 -9.734 3.917 1.00 0.00 O ATOM 674 CB CYS A 42 -1.730 -8.075 1.316 1.00 0.00 C ATOM 675 SG CYS A 42 -0.185 -8.155 0.377 1.00 0.00 S ATOM 0 H CYS A 42 -0.029 -9.617 2.351 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.182 -7.058 3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.362 -8.927 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.284 -7.176 1.046 1.00 0.00 H new ATOM 680 N PRO A 43 -3.572 -7.669 3.823 1.00 0.00 N ATOM 681 CA PRO A 43 -4.821 -7.979 4.539 1.00 0.00 C ATOM 682 C PRO A 43 -5.810 -8.668 3.593 1.00 0.00 C ATOM 683 O PRO A 43 -5.427 -9.237 2.590 1.00 0.00 O ATOM 684 CB PRO A 43 -5.337 -6.602 4.969 1.00 0.00 C ATOM 685 CG PRO A 43 -4.688 -5.574 4.013 1.00 0.00 C ATOM 686 CD PRO A 43 -3.447 -6.257 3.407 1.00 0.00 C ATOM 0 HA PRO A 43 -4.683 -8.655 5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.424 -6.558 4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.069 -6.393 6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.387 -5.277 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.408 -4.668 4.551 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.430 -6.162 2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.525 -5.812 3.781 1.00 0.00 H new ATOM 694 N LYS A 44 -7.078 -8.623 3.901 1.00 0.00 N ATOM 695 CA LYS A 44 -8.079 -9.279 3.013 1.00 0.00 C ATOM 696 C LYS A 44 -9.266 -8.338 2.796 1.00 0.00 C ATOM 697 O LYS A 44 -10.396 -8.767 2.673 1.00 0.00 O ATOM 698 CB LYS A 44 -8.565 -10.575 3.665 1.00 0.00 C ATOM 699 CG LYS A 44 -9.091 -10.274 5.068 1.00 0.00 C ATOM 700 CD LYS A 44 -8.386 -11.177 6.082 1.00 0.00 C ATOM 701 CE LYS A 44 -8.961 -10.925 7.477 1.00 0.00 C ATOM 702 NZ LYS A 44 -9.286 -12.229 8.121 1.00 0.00 N ATOM 0 H LYS A 44 -7.463 -8.162 4.726 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.618 -9.506 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.351 -11.027 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.749 -11.296 3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.918 -9.227 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.168 -10.437 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.518 -12.223 5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.314 -10.979 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.242 -10.376 8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.857 -10.308 7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.677 -12.060 9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.986 -12.737 7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.422 -12.802 8.200 1.00 0.00 H new ATOM 716 N SER A 45 -9.016 -7.059 2.746 1.00 0.00 N ATOM 717 CA SER A 45 -10.126 -6.086 2.535 1.00 0.00 C ATOM 718 C SER A 45 -11.210 -6.299 3.594 1.00 0.00 C ATOM 719 O SER A 45 -11.232 -7.300 4.283 1.00 0.00 O ATOM 720 CB SER A 45 -10.726 -6.292 1.144 1.00 0.00 C ATOM 721 OG SER A 45 -11.693 -5.280 0.896 1.00 0.00 O ATOM 0 H SER A 45 -8.089 -6.644 2.842 1.00 0.00 H new ATOM 0 HA SER A 45 -9.736 -5.072 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.942 -6.255 0.388 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.188 -7.277 1.077 1.00 0.00 H new ATOM 0 HG SER A 45 -11.411 -4.446 1.326 1.00 0.00 H new ATOM 727 N SER A 46 -12.109 -5.362 3.728 1.00 0.00 N ATOM 728 CA SER A 46 -13.194 -5.505 4.740 1.00 0.00 C ATOM 729 C SER A 46 -14.546 -5.553 4.033 1.00 0.00 C ATOM 730 O SER A 46 -15.366 -6.410 4.292 1.00 0.00 O ATOM 731 CB SER A 46 -13.162 -4.309 5.693 1.00 0.00 C ATOM 732 OG SER A 46 -12.187 -3.377 5.246 1.00 0.00 O ATOM 0 H SER A 46 -12.139 -4.503 3.179 1.00 0.00 H new ATOM 0 HA SER A 46 -13.045 -6.425 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.143 -3.835 5.733 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.927 -4.641 6.704 1.00 0.00 H new ATOM 0 HG SER A 46 -11.934 -2.787 5.987 1.00 0.00 H new ATOM 738 N LEU A 47 -14.774 -4.634 3.141 1.00 0.00 N ATOM 739 CA LEU A 47 -16.065 -4.595 2.396 1.00 0.00 C ATOM 740 C LEU A 47 -16.119 -3.302 1.586 1.00 0.00 C ATOM 741 O LEU A 47 -16.728 -3.234 0.536 1.00 0.00 O ATOM 742 CB LEU A 47 -17.238 -4.621 3.380 1.00 0.00 C ATOM 743 CG LEU A 47 -18.554 -4.572 2.603 1.00 0.00 C ATOM 744 CD1 LEU A 47 -18.560 -5.672 1.540 1.00 0.00 C ATOM 745 CD2 LEU A 47 -19.721 -4.791 3.568 1.00 0.00 C ATOM 0 H LEU A 47 -14.114 -3.898 2.891 1.00 0.00 H new ATOM 0 HA LEU A 47 -16.134 -5.461 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.196 -5.524 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -17.174 -3.773 4.062 1.00 0.00 H new ATOM 0 HG LEU A 47 -18.656 -3.600 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -19.498 -5.637 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.727 -5.519 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -18.459 -6.644 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -20.661 -4.757 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -19.618 -5.764 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -19.717 -4.009 4.327 1.00 0.00 H new ATOM 757 N LEU A 48 -15.477 -2.274 2.070 1.00 0.00 N ATOM 758 CA LEU A 48 -15.479 -0.976 1.335 1.00 0.00 C ATOM 759 C LEU A 48 -14.040 -0.503 1.122 1.00 0.00 C ATOM 760 O LEU A 48 -13.801 0.571 0.608 1.00 0.00 O ATOM 761 CB LEU A 48 -16.258 0.088 2.126 1.00 0.00 C ATOM 762 CG LEU A 48 -15.940 0.008 3.627 1.00 0.00 C ATOM 763 CD1 LEU A 48 -16.571 -1.249 4.231 1.00 0.00 C ATOM 764 CD2 LEU A 48 -14.423 -0.018 3.845 1.00 0.00 C ATOM 0 H LEU A 48 -14.950 -2.276 2.944 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.963 -1.122 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.007 1.080 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -17.328 -0.050 1.970 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.355 0.888 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.340 -1.297 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.652 -1.214 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.171 -2.132 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.210 -0.075 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.998 -0.887 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.981 0.890 3.434 1.00 0.00 H new ATOM 776 N VAL A 49 -13.080 -1.295 1.511 1.00 0.00 N ATOM 777 CA VAL A 49 -11.660 -0.885 1.327 1.00 0.00 C ATOM 778 C VAL A 49 -10.830 -2.095 0.898 1.00 0.00 C ATOM 779 O VAL A 49 -10.642 -3.031 1.650 1.00 0.00 O ATOM 780 CB VAL A 49 -11.110 -0.335 2.643 1.00 0.00 C ATOM 781 CG1 VAL A 49 -11.294 -1.373 3.752 1.00 0.00 C ATOM 782 CG2 VAL A 49 -9.620 -0.026 2.479 1.00 0.00 C ATOM 0 H VAL A 49 -13.217 -2.207 1.948 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.605 -0.114 0.559 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.647 0.576 2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.901 -0.978 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.354 -1.596 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -10.758 -2.285 3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.225 0.367 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.086 -0.939 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.487 0.714 1.690 1.00 0.00 H new ATOM 792 N LYS A 50 -10.325 -2.081 -0.304 1.00 0.00 N ATOM 793 CA LYS A 50 -9.501 -3.227 -0.775 1.00 0.00 C ATOM 794 C LYS A 50 -8.020 -2.865 -0.649 1.00 0.00 C ATOM 795 O LYS A 50 -7.671 -1.773 -0.243 1.00 0.00 O ATOM 796 CB LYS A 50 -9.833 -3.535 -2.236 1.00 0.00 C ATOM 797 CG LYS A 50 -10.743 -4.764 -2.303 1.00 0.00 C ATOM 798 CD LYS A 50 -11.988 -4.436 -3.131 1.00 0.00 C ATOM 799 CE LYS A 50 -13.228 -4.527 -2.241 1.00 0.00 C ATOM 800 NZ LYS A 50 -14.148 -5.570 -2.775 1.00 0.00 N ATOM 0 H LYS A 50 -10.447 -1.326 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.716 -4.106 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.326 -2.679 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.917 -3.716 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.207 -5.602 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.033 -5.070 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.903 -3.435 -3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.075 -5.130 -3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.938 -4.772 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.735 -3.563 -2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.991 -5.632 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.434 -5.318 -3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.662 -6.489 -2.786 1.00 0.00 H new ATOM 814 N TYR A 51 -7.145 -3.772 -0.987 1.00 0.00 N ATOM 815 CA TYR A 51 -5.691 -3.475 -0.875 1.00 0.00 C ATOM 816 C TYR A 51 -4.953 -4.018 -2.100 1.00 0.00 C ATOM 817 O TYR A 51 -5.427 -4.904 -2.784 1.00 0.00 O ATOM 818 CB TYR A 51 -5.137 -4.143 0.385 1.00 0.00 C ATOM 819 CG TYR A 51 -5.436 -5.622 0.335 1.00 0.00 C ATOM 820 CD1 TYR A 51 -6.710 -6.090 0.675 1.00 0.00 C ATOM 821 CD2 TYR A 51 -4.439 -6.525 -0.055 1.00 0.00 C ATOM 822 CE1 TYR A 51 -6.989 -7.461 0.626 1.00 0.00 C ATOM 823 CE2 TYR A 51 -4.718 -7.896 -0.105 1.00 0.00 C ATOM 824 CZ TYR A 51 -5.993 -8.364 0.236 1.00 0.00 C ATOM 825 OH TYR A 51 -6.268 -9.716 0.186 1.00 0.00 O ATOM 0 H TYR A 51 -7.374 -4.703 -1.335 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.547 -2.396 -0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.062 -3.979 0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.585 -3.699 1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.479 -5.393 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.455 -6.164 -0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.972 -7.822 0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.950 -8.593 -0.407 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.913 -10.152 0.989 1.00 0.00 H new ATOM 835 N VAL A 52 -3.791 -3.496 -2.373 1.00 0.00 N ATOM 836 CA VAL A 52 -3.005 -3.976 -3.545 1.00 0.00 C ATOM 837 C VAL A 52 -1.522 -3.970 -3.172 1.00 0.00 C ATOM 838 O VAL A 52 -0.951 -2.935 -2.892 1.00 0.00 O ATOM 839 CB VAL A 52 -3.240 -3.044 -4.736 1.00 0.00 C ATOM 840 CG1 VAL A 52 -2.263 -3.392 -5.862 1.00 0.00 C ATOM 841 CG2 VAL A 52 -4.676 -3.213 -5.240 1.00 0.00 C ATOM 0 H VAL A 52 -3.348 -2.753 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.317 -4.984 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.081 -2.012 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.432 -2.727 -6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.240 -3.273 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.420 -4.424 -6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.844 -2.550 -6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.833 -4.246 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.374 -2.964 -4.441 1.00 0.00 H new ATOM 851 N CYS A 53 -0.890 -5.113 -3.153 1.00 0.00 N ATOM 852 CA CYS A 53 0.554 -5.140 -2.780 1.00 0.00 C ATOM 853 C CYS A 53 1.407 -5.522 -3.991 1.00 0.00 C ATOM 854 O CYS A 53 0.903 -5.869 -5.040 1.00 0.00 O ATOM 855 CB CYS A 53 0.820 -6.142 -1.641 1.00 0.00 C ATOM 856 SG CYS A 53 -0.612 -7.219 -1.362 1.00 0.00 S ATOM 0 H CYS A 53 -1.304 -6.018 -3.376 1.00 0.00 H new ATOM 0 HA CYS A 53 0.823 -4.141 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.692 -6.749 -1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.054 -5.600 -0.725 1.00 0.00 H new ATOM 861 N CYS A 54 2.703 -5.455 -3.843 1.00 0.00 N ATOM 862 CA CYS A 54 3.612 -5.806 -4.967 1.00 0.00 C ATOM 863 C CYS A 54 4.993 -6.152 -4.390 1.00 0.00 C ATOM 864 O CYS A 54 5.344 -5.735 -3.302 1.00 0.00 O ATOM 865 CB CYS A 54 3.676 -4.610 -5.953 1.00 0.00 C ATOM 866 SG CYS A 54 5.355 -3.926 -6.109 1.00 0.00 S ATOM 0 H CYS A 54 3.172 -5.170 -2.984 1.00 0.00 H new ATOM 0 HA CYS A 54 3.247 -6.673 -5.517 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.326 -4.932 -6.934 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.998 -3.827 -5.614 1.00 0.00 H new ATOM 871 N ASN A 55 5.773 -6.914 -5.107 1.00 0.00 N ATOM 872 CA ASN A 55 7.123 -7.287 -4.600 1.00 0.00 C ATOM 873 C ASN A 55 8.160 -7.056 -5.700 1.00 0.00 C ATOM 874 O ASN A 55 9.277 -7.528 -5.624 1.00 0.00 O ATOM 875 CB ASN A 55 7.128 -8.764 -4.201 1.00 0.00 C ATOM 876 CG ASN A 55 8.253 -9.018 -3.197 1.00 0.00 C ATOM 877 OD1 ASN A 55 8.647 -8.128 -2.469 1.00 0.00 O ATOM 878 ND2 ASN A 55 8.793 -10.204 -3.126 1.00 0.00 N ATOM 0 H ASN A 55 5.533 -7.294 -6.023 1.00 0.00 H new ATOM 0 HA ASN A 55 7.367 -6.674 -3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.168 -9.037 -3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.266 -9.389 -5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.545 -10.383 -2.460 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.463 -10.952 -3.736 1.00 0.00 H new ATOM 885 N THR A 56 7.797 -6.335 -6.725 1.00 0.00 N ATOM 886 CA THR A 56 8.758 -6.076 -7.832 1.00 0.00 C ATOM 887 C THR A 56 9.192 -4.609 -7.805 1.00 0.00 C ATOM 888 O THR A 56 9.914 -4.155 -8.669 1.00 0.00 O ATOM 889 CB THR A 56 8.086 -6.384 -9.171 1.00 0.00 C ATOM 890 OG1 THR A 56 6.941 -7.196 -8.948 1.00 0.00 O ATOM 891 CG2 THR A 56 9.068 -7.123 -10.081 1.00 0.00 C ATOM 0 H THR A 56 6.875 -5.914 -6.843 1.00 0.00 H new ATOM 0 HA THR A 56 9.633 -6.713 -7.707 1.00 0.00 H new ATOM 0 HB THR A 56 7.785 -5.452 -9.649 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.203 -6.639 -8.624 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.587 -7.341 -11.034 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.946 -6.499 -10.252 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.373 -8.056 -9.606 1.00 0.00 H new ATOM 899 N ASP A 57 8.752 -3.863 -6.826 1.00 0.00 N ATOM 900 CA ASP A 57 9.139 -2.426 -6.752 1.00 0.00 C ATOM 901 C ASP A 57 8.562 -1.689 -7.958 1.00 0.00 C ATOM 902 O ASP A 57 8.557 -2.194 -9.063 1.00 0.00 O ATOM 903 CB ASP A 57 10.665 -2.297 -6.749 1.00 0.00 C ATOM 904 CG ASP A 57 11.052 -0.819 -6.847 1.00 0.00 C ATOM 905 OD1 ASP A 57 10.476 -0.026 -6.120 1.00 0.00 O ATOM 906 OD2 ASP A 57 11.916 -0.506 -7.649 1.00 0.00 O ATOM 0 H ASP A 57 8.142 -4.188 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 57 8.746 -1.990 -5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.076 -2.732 -5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.089 -2.851 -7.586 1.00 0.00 H new ATOM 911 N ARG A 58 8.066 -0.502 -7.751 1.00 0.00 N ATOM 912 CA ARG A 58 7.478 0.269 -8.881 1.00 0.00 C ATOM 913 C ARG A 58 6.085 -0.276 -9.195 1.00 0.00 C ATOM 914 O ARG A 58 5.383 0.237 -10.043 1.00 0.00 O ATOM 915 CB ARG A 58 8.374 0.140 -10.115 1.00 0.00 C ATOM 916 CG ARG A 58 8.113 1.310 -11.066 1.00 0.00 C ATOM 917 CD ARG A 58 8.724 1.001 -12.434 1.00 0.00 C ATOM 918 NE ARG A 58 8.788 2.249 -13.245 1.00 0.00 N ATOM 919 CZ ARG A 58 9.380 3.308 -12.765 1.00 0.00 C ATOM 920 NH1 ARG A 58 10.247 3.191 -11.797 1.00 0.00 N ATOM 921 NH2 ARG A 58 9.106 4.486 -13.255 1.00 0.00 N ATOM 0 H ARG A 58 8.042 -0.031 -6.846 1.00 0.00 H new ATOM 0 HA ARG A 58 7.402 1.320 -8.604 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.422 0.129 -9.816 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.177 -0.804 -10.622 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.041 1.480 -11.165 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.545 2.225 -10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.723 0.583 -12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.126 0.250 -12.950 1.00 0.00 H new ATOM 0 HE ARG A 58 8.369 2.276 -14.175 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.463 2.271 -11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.709 4.020 -11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.429 4.578 -14.013 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.568 5.314 -12.880 1.00 0.00 H new ATOM 935 N CYS A 59 5.668 -1.297 -8.499 1.00 0.00 N ATOM 936 CA CYS A 59 4.308 -1.851 -8.740 1.00 0.00 C ATOM 937 C CYS A 59 3.423 -1.503 -7.544 1.00 0.00 C ATOM 938 O CYS A 59 2.281 -1.912 -7.462 1.00 0.00 O ATOM 939 CB CYS A 59 4.354 -3.378 -8.923 1.00 0.00 C ATOM 940 SG CYS A 59 5.791 -4.088 -8.075 1.00 0.00 S ATOM 0 H CYS A 59 6.209 -1.770 -7.776 1.00 0.00 H new ATOM 0 HA CYS A 59 3.904 -1.416 -9.654 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.439 -3.823 -8.532 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.397 -3.620 -9.985 1.00 0.00 H new ATOM 945 N ASN A 60 3.940 -0.740 -6.615 1.00 0.00 N ATOM 946 CA ASN A 60 3.124 -0.359 -5.427 1.00 0.00 C ATOM 947 C ASN A 60 2.617 1.075 -5.598 1.00 0.00 C ATOM 948 O ASN A 60 1.411 1.255 -5.640 1.00 0.00 O ATOM 949 CB ASN A 60 3.981 -0.450 -4.164 1.00 0.00 C ATOM 950 CG ASN A 60 3.249 0.221 -2.999 1.00 0.00 C ATOM 951 OD1 ASN A 60 2.679 -0.446 -2.159 1.00 0.00 O ATOM 952 ND2 ASN A 60 3.239 1.524 -2.914 1.00 0.00 N ATOM 953 OXT ASN A 60 3.444 1.968 -5.682 1.00 0.00 O ATOM 0 H ASN A 60 4.889 -0.366 -6.629 1.00 0.00 H new ATOM 0 HA ASN A 60 2.276 -1.038 -5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.186 -1.494 -3.926 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.943 0.034 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.753 1.981 -2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.717 2.085 -3.619 1.00 0.00 H new TER 960 ASN A 60