USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 282 hydrogens (2 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 Set 1.1: A 26 LYS NZ :NH3+ -111:sc= -0.555 (180deg=-3.3!) USER MOD Set 1.2: A 35 THR OG1 : rot 81:sc= 0.499 USER MOD Single : A 1 VAL N :NH3+ -120:sc= -0.558 (180deg=-0.594) USER MOD Single : A 4 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.33) USER MOD Single : A 6 LYS NZ :NH3+ -141:sc= -2.22! (180deg=-4.99!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.004 K(o=-0.004,f=-1.8!) USER MOD Single : A 15 LYS NZ :NH3+ -165:sc=-0.00735 (180deg=-0.313) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -0.0577 (180deg=-0.317) USER MOD Single : A 22 MET CE :methyl -163:sc= -0.53 (180deg=-1.32) USER MOD Single : A 29 ASN : amide:sc= -0.476 K(o=-0.48,f=-1.4!) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= 0.171 (180deg=-1.46) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.911 0.316 1.191 1.00 0.00 N ATOM 2 CA VAL A 1 2.305 -1.095 0.906 1.00 0.00 C ATOM 3 C VAL A 1 3.700 -1.161 0.272 1.00 0.00 C ATOM 4 O VAL A 1 4.321 -0.158 -0.022 1.00 0.00 O ATOM 5 CB VAL A 1 1.273 -1.765 -0.060 1.00 0.00 C ATOM 6 CG1 VAL A 1 -0.117 -1.798 0.606 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.179 -0.987 -1.395 1.00 0.00 C ATOM 0 H1 VAL A 1 1.740 0.429 2.210 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.675 0.956 0.895 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.043 0.547 0.666 1.00 0.00 H new ATOM 0 HA VAL A 1 2.321 -1.631 1.855 1.00 0.00 H new ATOM 0 HB VAL A 1 1.611 -2.780 -0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -0.833 -2.265 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.064 -2.372 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -0.438 -0.780 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.455 -1.473 -2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.860 0.037 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 1 2.155 -0.976 -1.879 1.00 0.00 H new ATOM 19 N GLY A 2 4.123 -2.383 0.091 1.00 0.00 N ATOM 20 CA GLY A 2 5.437 -2.728 -0.502 1.00 0.00 C ATOM 21 C GLY A 2 6.639 -2.086 0.170 1.00 0.00 C ATOM 22 O GLY A 2 6.497 -1.359 1.136 1.00 0.00 O ATOM 0 H GLY A 2 3.571 -3.201 0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.559 -3.811 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.431 -2.438 -1.553 1.00 0.00 H new ATOM 26 N ILE A 3 7.799 -2.383 -0.362 1.00 0.00 N ATOM 27 CA ILE A 3 9.044 -1.829 0.194 1.00 0.00 C ATOM 28 C ILE A 3 9.712 -1.056 -0.948 1.00 0.00 C ATOM 29 O ILE A 3 9.251 -0.003 -1.342 1.00 0.00 O ATOM 30 CB ILE A 3 9.865 -3.076 0.746 1.00 0.00 C ATOM 31 CG1 ILE A 3 9.936 -4.243 -0.301 1.00 0.00 C ATOM 32 CG2 ILE A 3 9.099 -3.647 1.954 1.00 0.00 C ATOM 33 CD1 ILE A 3 10.760 -5.424 0.242 1.00 0.00 C ATOM 0 H ILE A 3 7.924 -2.995 -1.168 1.00 0.00 H new ATOM 0 HA ILE A 3 8.931 -1.130 1.022 1.00 0.00 H new ATOM 0 HB ILE A 3 10.871 -2.732 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.928 -4.580 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.382 -3.879 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 3 9.639 -4.505 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.012 -2.881 2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.104 -3.960 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.793 -6.218 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 3 11.774 -5.090 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.298 -5.802 1.154 1.00 0.00 H new ATOM 45 N ASN A 4 10.772 -1.631 -1.430 1.00 0.00 N ATOM 46 CA ASN A 4 11.611 -1.095 -2.535 1.00 0.00 C ATOM 47 C ASN A 4 12.699 -2.149 -2.860 1.00 0.00 C ATOM 48 O ASN A 4 13.829 -1.800 -3.143 1.00 0.00 O ATOM 49 CB ASN A 4 12.209 0.172 -2.016 1.00 0.00 C ATOM 50 CG ASN A 4 12.975 0.935 -3.106 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.417 1.342 -4.106 1.00 0.00 O ATOM 52 ND2 ASN A 4 14.252 1.146 -2.950 1.00 0.00 N ATOM 0 H ASN A 4 11.115 -2.522 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 4 11.052 -0.895 -3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.420 0.808 -1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.884 -0.057 -1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.777 1.650 -3.665 1.00 0.00 H new ATOM 0 HD22 ASN A 4 14.726 0.807 -2.113 1.00 0.00 H new ATOM 59 N VAL A 5 12.334 -3.407 -2.814 1.00 0.00 N ATOM 60 CA VAL A 5 13.311 -4.502 -3.106 1.00 0.00 C ATOM 61 C VAL A 5 12.713 -5.362 -4.214 1.00 0.00 C ATOM 62 O VAL A 5 11.529 -5.281 -4.491 1.00 0.00 O ATOM 63 CB VAL A 5 13.541 -5.325 -1.797 1.00 0.00 C ATOM 64 CG1 VAL A 5 14.614 -6.421 -1.996 1.00 0.00 C ATOM 65 CG2 VAL A 5 14.017 -4.378 -0.669 1.00 0.00 C ATOM 0 H VAL A 5 11.392 -3.725 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 5 14.276 -4.117 -3.435 1.00 0.00 H new ATOM 0 HB VAL A 5 12.596 -5.800 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.747 -6.973 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.293 -7.106 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.558 -5.958 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.177 -4.951 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.950 -3.899 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.259 -3.616 -0.490 1.00 0.00 H new ATOM 75 N LYS A 6 13.564 -6.169 -4.795 1.00 0.00 N ATOM 76 CA LYS A 6 13.149 -7.065 -5.894 1.00 0.00 C ATOM 77 C LYS A 6 12.921 -8.466 -5.320 1.00 0.00 C ATOM 78 O LYS A 6 13.589 -8.900 -4.402 1.00 0.00 O ATOM 79 CB LYS A 6 14.277 -7.064 -6.952 1.00 0.00 C ATOM 80 CG LYS A 6 13.722 -7.149 -8.392 1.00 0.00 C ATOM 81 CD LYS A 6 12.869 -5.899 -8.793 1.00 0.00 C ATOM 82 CE LYS A 6 13.659 -4.575 -8.694 1.00 0.00 C ATOM 83 NZ LYS A 6 13.787 -4.138 -7.273 1.00 0.00 N ATOM 0 H LYS A 6 14.549 -6.239 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 6 12.222 -6.734 -6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.872 -6.157 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.945 -7.906 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.552 -7.254 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.110 -8.046 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.507 -6.025 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.992 -5.842 -8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.650 -4.704 -9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.155 -3.801 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.682 -3.105 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.046 -4.593 -6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.722 -4.412 -6.909 1.00 0.00 H new ATOM 97 N CYS A 7 11.957 -9.114 -5.914 1.00 0.00 N ATOM 98 CA CYS A 7 11.552 -10.493 -5.520 1.00 0.00 C ATOM 99 C CYS A 7 11.545 -11.484 -6.672 1.00 0.00 C ATOM 100 O CYS A 7 11.638 -11.153 -7.838 1.00 0.00 O ATOM 101 CB CYS A 7 10.164 -10.398 -4.912 1.00 0.00 C ATOM 102 SG CYS A 7 9.006 -9.371 -5.850 1.00 0.00 S ATOM 0 H CYS A 7 11.413 -8.728 -6.686 1.00 0.00 H new ATOM 0 HA CYS A 7 12.288 -10.875 -4.812 1.00 0.00 H new ATOM 0 HB2 CYS A 7 9.750 -11.402 -4.823 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.250 -9.998 -3.902 1.00 0.00 H new ATOM 107 N LYS A 8 11.425 -12.695 -6.217 1.00 0.00 N ATOM 108 CA LYS A 8 11.375 -13.911 -7.073 1.00 0.00 C ATOM 109 C LYS A 8 10.035 -14.587 -6.750 1.00 0.00 C ATOM 110 O LYS A 8 9.330 -15.043 -7.629 1.00 0.00 O ATOM 111 CB LYS A 8 12.542 -14.847 -6.712 1.00 0.00 C ATOM 112 CG LYS A 8 13.890 -14.122 -6.945 1.00 0.00 C ATOM 113 CD LYS A 8 15.078 -15.015 -6.513 1.00 0.00 C ATOM 114 CE LYS A 8 15.167 -16.285 -7.386 1.00 0.00 C ATOM 115 NZ LYS A 8 16.351 -17.094 -6.980 1.00 0.00 N ATOM 0 H LYS A 8 11.355 -12.903 -5.221 1.00 0.00 H new ATOM 0 HA LYS A 8 11.459 -13.671 -8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.462 -15.158 -5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.496 -15.751 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.990 -13.861 -7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.908 -13.189 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.008 -14.451 -6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.963 -15.297 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.257 -16.876 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.246 -16.010 -8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.407 -17.948 -7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.216 -16.530 -7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.258 -17.369 -5.981 1.00 0.00 H new ATOM 129 N HIS A 9 9.747 -14.620 -5.471 1.00 0.00 N ATOM 130 CA HIS A 9 8.488 -15.239 -4.947 1.00 0.00 C ATOM 131 C HIS A 9 7.800 -14.300 -3.960 1.00 0.00 C ATOM 132 O HIS A 9 8.276 -13.220 -3.665 1.00 0.00 O ATOM 133 CB HIS A 9 8.858 -16.566 -4.263 1.00 0.00 C ATOM 134 CG HIS A 9 9.633 -17.435 -5.259 1.00 0.00 C ATOM 135 ND1 HIS A 9 9.175 -17.855 -6.393 1.00 0.00 N ATOM 136 CD2 HIS A 9 10.920 -17.941 -5.202 1.00 0.00 C ATOM 137 CE1 HIS A 9 10.080 -18.558 -6.994 1.00 0.00 C ATOM 138 NE2 HIS A 9 11.182 -18.638 -6.290 1.00 0.00 N ATOM 0 H HIS A 9 10.351 -14.231 -4.747 1.00 0.00 H new ATOM 0 HA HIS A 9 7.792 -15.422 -5.766 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.463 -16.378 -3.376 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.958 -17.083 -3.931 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.609 -17.787 -4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.943 -19.023 -7.959 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.045 -19.127 -6.529 1.00 0.00 H new ATOM 146 N SER A 10 6.683 -14.779 -3.479 1.00 0.00 N ATOM 147 CA SER A 10 5.862 -14.021 -2.496 1.00 0.00 C ATOM 148 C SER A 10 6.334 -14.377 -1.065 1.00 0.00 C ATOM 149 O SER A 10 5.571 -14.444 -0.119 1.00 0.00 O ATOM 150 CB SER A 10 4.386 -14.406 -2.702 1.00 0.00 C ATOM 151 OG SER A 10 4.092 -13.933 -4.009 1.00 0.00 O ATOM 0 H SER A 10 6.298 -15.688 -3.735 1.00 0.00 H new ATOM 0 HA SER A 10 5.973 -12.946 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.239 -15.483 -2.624 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.743 -13.941 -1.954 1.00 0.00 H new ATOM 0 HG SER A 10 3.160 -14.139 -4.229 1.00 0.00 H new ATOM 157 N GLY A 11 7.623 -14.591 -0.998 1.00 0.00 N ATOM 158 CA GLY A 11 8.369 -14.946 0.247 1.00 0.00 C ATOM 159 C GLY A 11 9.467 -13.883 0.305 1.00 0.00 C ATOM 160 O GLY A 11 9.668 -13.218 1.302 1.00 0.00 O ATOM 0 H GLY A 11 8.228 -14.528 -1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.726 -14.911 1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.784 -15.953 0.196 1.00 0.00 H new ATOM 164 N GLN A 12 10.138 -13.787 -0.819 1.00 0.00 N ATOM 165 CA GLN A 12 11.257 -12.844 -1.084 1.00 0.00 C ATOM 166 C GLN A 12 10.845 -11.416 -0.686 1.00 0.00 C ATOM 167 O GLN A 12 11.666 -10.562 -0.418 1.00 0.00 O ATOM 168 CB GLN A 12 11.553 -12.965 -2.585 1.00 0.00 C ATOM 169 CG GLN A 12 13.001 -13.344 -2.845 1.00 0.00 C ATOM 170 CD GLN A 12 13.928 -12.150 -2.568 1.00 0.00 C ATOM 171 OE1 GLN A 12 14.077 -11.699 -1.450 1.00 0.00 O ATOM 172 NE2 GLN A 12 14.567 -11.609 -3.569 1.00 0.00 N ATOM 0 H GLN A 12 9.928 -14.379 -1.623 1.00 0.00 H new ATOM 0 HA GLN A 12 12.148 -13.076 -0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.896 -13.715 -3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.331 -12.018 -3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.282 -14.185 -2.211 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.118 -13.670 -3.878 1.00 0.00 H new ATOM 0 HE21 GLN A 12 14.448 -11.981 -4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.186 -10.814 -3.409 1.00 0.00 H new ATOM 181 N CYS A 13 9.548 -11.246 -0.676 1.00 0.00 N ATOM 182 CA CYS A 13 8.891 -9.954 -0.328 1.00 0.00 C ATOM 183 C CYS A 13 8.409 -9.945 1.133 1.00 0.00 C ATOM 184 O CYS A 13 8.582 -8.974 1.838 1.00 0.00 O ATOM 185 CB CYS A 13 7.732 -9.784 -1.288 1.00 0.00 C ATOM 186 SG CYS A 13 6.659 -8.360 -1.024 1.00 0.00 S ATOM 0 H CYS A 13 8.889 -11.989 -0.907 1.00 0.00 H new ATOM 0 HA CYS A 13 9.595 -9.127 -0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.135 -9.723 -2.299 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.119 -10.684 -1.243 1.00 0.00 H new ATOM 191 N LEU A 14 7.806 -11.029 1.529 1.00 0.00 N ATOM 192 CA LEU A 14 7.273 -11.223 2.914 1.00 0.00 C ATOM 193 C LEU A 14 8.331 -10.988 3.987 1.00 0.00 C ATOM 194 O LEU A 14 8.062 -10.327 4.970 1.00 0.00 O ATOM 195 CB LEU A 14 6.696 -12.662 2.975 1.00 0.00 C ATOM 196 CG LEU A 14 6.153 -13.036 4.389 1.00 0.00 C ATOM 197 CD1 LEU A 14 5.044 -14.100 4.228 1.00 0.00 C ATOM 198 CD2 LEU A 14 7.274 -13.683 5.246 1.00 0.00 C ATOM 0 H LEU A 14 7.652 -11.832 0.919 1.00 0.00 H new ATOM 0 HA LEU A 14 6.497 -10.486 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.892 -12.757 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.472 -13.372 2.689 1.00 0.00 H new ATOM 0 HG LEU A 14 5.784 -12.130 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.655 -14.371 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.237 -13.695 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.457 -14.985 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.879 -13.938 6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.633 -14.587 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.099 -12.979 5.358 1.00 0.00 H new ATOM 210 N LYS A 15 9.495 -11.536 3.765 1.00 0.00 N ATOM 211 CA LYS A 15 10.622 -11.413 4.702 1.00 0.00 C ATOM 212 C LYS A 15 11.053 -9.947 4.941 1.00 0.00 C ATOM 213 O LYS A 15 11.050 -9.521 6.081 1.00 0.00 O ATOM 214 CB LYS A 15 11.701 -12.296 4.079 1.00 0.00 C ATOM 215 CG LYS A 15 11.308 -13.784 4.229 1.00 0.00 C ATOM 216 CD LYS A 15 12.366 -14.662 3.527 1.00 0.00 C ATOM 217 CE LYS A 15 11.963 -16.145 3.627 1.00 0.00 C ATOM 218 NZ LYS A 15 11.910 -16.579 5.053 1.00 0.00 N ATOM 0 H LYS A 15 9.708 -12.085 2.932 1.00 0.00 H new ATOM 0 HA LYS A 15 10.374 -11.738 5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.824 -12.047 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.660 -12.112 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.239 -14.050 5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.325 -13.959 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.458 -14.370 2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.342 -14.509 3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.990 -16.296 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.678 -16.760 3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.890 -17.618 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.750 -16.226 5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.053 -16.196 5.501 1.00 0.00 H new ATOM 232 N PRO A 16 11.402 -9.200 3.916 1.00 0.00 N ATOM 233 CA PRO A 16 11.794 -7.770 4.078 1.00 0.00 C ATOM 234 C PRO A 16 10.595 -6.936 4.508 1.00 0.00 C ATOM 235 O PRO A 16 10.765 -5.985 5.244 1.00 0.00 O ATOM 236 CB PRO A 16 12.374 -7.392 2.714 1.00 0.00 C ATOM 237 CG PRO A 16 11.558 -8.272 1.742 1.00 0.00 C ATOM 238 CD PRO A 16 11.450 -9.621 2.481 1.00 0.00 C ATOM 0 HA PRO A 16 12.528 -7.591 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.249 -6.330 2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.441 -7.605 2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.576 -7.844 1.542 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.060 -8.380 0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.556 -10.173 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.304 -10.266 2.275 1.00 0.00 H new ATOM 246 N CYS A 17 9.424 -7.299 4.051 1.00 0.00 N ATOM 247 CA CYS A 17 8.209 -6.551 4.420 1.00 0.00 C ATOM 248 C CYS A 17 8.051 -6.587 5.939 1.00 0.00 C ATOM 249 O CYS A 17 8.122 -5.558 6.584 1.00 0.00 O ATOM 250 CB CYS A 17 7.030 -7.214 3.729 1.00 0.00 C ATOM 251 SG CYS A 17 6.709 -6.806 1.999 1.00 0.00 S ATOM 0 H CYS A 17 9.267 -8.093 3.431 1.00 0.00 H new ATOM 0 HA CYS A 17 8.268 -5.508 4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.170 -8.293 3.795 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.133 -6.973 4.299 1.00 0.00 H new ATOM 256 N LYS A 18 7.851 -7.774 6.462 1.00 0.00 N ATOM 257 CA LYS A 18 7.680 -7.912 7.932 1.00 0.00 C ATOM 258 C LYS A 18 8.900 -7.328 8.629 1.00 0.00 C ATOM 259 O LYS A 18 8.731 -6.553 9.550 1.00 0.00 O ATOM 260 CB LYS A 18 7.482 -9.422 8.296 1.00 0.00 C ATOM 261 CG LYS A 18 8.727 -10.294 8.019 1.00 0.00 C ATOM 262 CD LYS A 18 8.402 -11.795 8.215 1.00 0.00 C ATOM 263 CE LYS A 18 8.032 -12.108 9.682 1.00 0.00 C ATOM 264 NZ LYS A 18 9.159 -11.753 10.592 1.00 0.00 N ATOM 0 H LYS A 18 7.800 -8.645 5.933 1.00 0.00 H new ATOM 0 HA LYS A 18 6.797 -7.367 8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.221 -9.501 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.639 -9.816 7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.077 -10.123 7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.537 -10.002 8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.576 -12.078 7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.262 -12.396 7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.139 -11.551 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.793 -13.166 9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.015 -12.207 11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.055 -12.083 10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.194 -10.721 10.715 1.00 0.00 H new ATOM 278 N ASP A 19 10.061 -7.718 8.146 1.00 0.00 N ATOM 279 CA ASP A 19 11.367 -7.242 8.711 1.00 0.00 C ATOM 280 C ASP A 19 11.489 -5.712 8.664 1.00 0.00 C ATOM 281 O ASP A 19 12.223 -5.135 9.444 1.00 0.00 O ATOM 282 CB ASP A 19 12.521 -7.873 7.913 1.00 0.00 C ATOM 283 CG ASP A 19 13.884 -7.400 8.456 1.00 0.00 C ATOM 284 OD1 ASP A 19 14.168 -7.739 9.593 1.00 0.00 O ATOM 285 OD2 ASP A 19 14.560 -6.721 7.700 1.00 0.00 O ATOM 0 H ASP A 19 10.158 -8.364 7.363 1.00 0.00 H new ATOM 0 HA ASP A 19 11.413 -7.546 9.757 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.458 -8.960 7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.431 -7.605 6.860 1.00 0.00 H new ATOM 290 N ALA A 20 10.766 -5.108 7.754 1.00 0.00 N ATOM 291 CA ALA A 20 10.808 -3.611 7.627 1.00 0.00 C ATOM 292 C ALA A 20 9.608 -2.964 8.353 1.00 0.00 C ATOM 293 O ALA A 20 9.499 -1.753 8.396 1.00 0.00 O ATOM 294 CB ALA A 20 10.769 -3.232 6.138 1.00 0.00 C ATOM 0 H ALA A 20 10.149 -5.581 7.094 1.00 0.00 H new ATOM 0 HA ALA A 20 11.727 -3.245 8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.799 -2.147 6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.629 -3.667 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.851 -3.612 5.690 1.00 0.00 H new ATOM 300 N GLY A 21 8.751 -3.792 8.900 1.00 0.00 N ATOM 301 CA GLY A 21 7.552 -3.346 9.650 1.00 0.00 C ATOM 302 C GLY A 21 6.197 -3.644 9.009 1.00 0.00 C ATOM 303 O GLY A 21 5.314 -2.809 9.058 1.00 0.00 O ATOM 0 H GLY A 21 8.847 -4.806 8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.573 -3.812 10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.627 -2.270 9.804 1.00 0.00 H new ATOM 307 N MET A 22 6.057 -4.809 8.429 1.00 0.00 N ATOM 308 CA MET A 22 4.786 -5.204 7.778 1.00 0.00 C ATOM 309 C MET A 22 4.360 -6.579 8.318 1.00 0.00 C ATOM 310 O MET A 22 4.835 -7.018 9.348 1.00 0.00 O ATOM 311 CB MET A 22 5.072 -5.239 6.310 1.00 0.00 C ATOM 312 CG MET A 22 5.620 -3.885 5.787 1.00 0.00 C ATOM 313 SD MET A 22 4.634 -2.385 6.041 1.00 0.00 S ATOM 314 CE MET A 22 4.086 -2.098 4.339 1.00 0.00 C ATOM 0 H MET A 22 6.792 -5.515 8.382 1.00 0.00 H new ATOM 0 HA MET A 22 3.967 -4.513 7.980 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.796 -6.027 6.101 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.160 -5.493 5.770 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.593 -3.722 6.250 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.790 -3.990 4.716 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.727 -1.073 4.240 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.921 -2.258 3.656 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.280 -2.790 4.095 1.00 0.00 H new ATOM 324 N ARG A 23 3.464 -7.204 7.598 1.00 0.00 N ATOM 325 CA ARG A 23 2.952 -8.544 7.972 1.00 0.00 C ATOM 326 C ARG A 23 3.390 -9.547 6.900 1.00 0.00 C ATOM 327 O ARG A 23 4.178 -10.422 7.205 1.00 0.00 O ATOM 328 CB ARG A 23 1.415 -8.508 8.084 1.00 0.00 C ATOM 329 CG ARG A 23 1.035 -7.670 9.326 1.00 0.00 C ATOM 330 CD ARG A 23 -0.485 -7.684 9.541 1.00 0.00 C ATOM 331 NE ARG A 23 -1.121 -7.099 8.328 1.00 0.00 N ATOM 332 CZ ARG A 23 -2.082 -7.722 7.704 1.00 0.00 C ATOM 333 NH1 ARG A 23 -1.816 -8.837 7.081 1.00 0.00 N ATOM 334 NH2 ARG A 23 -3.278 -7.204 7.725 1.00 0.00 N ATOM 0 H ARG A 23 3.058 -6.824 6.743 1.00 0.00 H new ATOM 0 HA ARG A 23 3.354 -8.844 8.940 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.979 -8.072 7.185 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.018 -9.519 8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.536 -8.069 10.208 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.381 -6.644 9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.838 -8.702 9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.751 -7.108 10.427 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.800 -6.196 7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.867 -9.210 7.086 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.557 -9.335 6.589 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.446 -6.329 8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.045 -7.673 7.244 1.00 0.00 H new ATOM 348 N PHE A 24 2.889 -9.415 5.690 1.00 0.00 N ATOM 349 CA PHE A 24 3.301 -10.376 4.612 1.00 0.00 C ATOM 350 C PHE A 24 3.834 -9.621 3.392 1.00 0.00 C ATOM 351 O PHE A 24 3.836 -8.404 3.344 1.00 0.00 O ATOM 352 CB PHE A 24 2.125 -11.244 4.130 1.00 0.00 C ATOM 353 CG PHE A 24 1.169 -11.606 5.278 1.00 0.00 C ATOM 354 CD1 PHE A 24 1.633 -12.273 6.399 1.00 0.00 C ATOM 355 CD2 PHE A 24 -0.169 -11.268 5.206 1.00 0.00 C ATOM 356 CE1 PHE A 24 0.774 -12.596 7.428 1.00 0.00 C ATOM 357 CE2 PHE A 24 -1.028 -11.591 6.234 1.00 0.00 C ATOM 358 CZ PHE A 24 -0.558 -12.255 7.346 1.00 0.00 C ATOM 0 H PHE A 24 2.224 -8.696 5.406 1.00 0.00 H new ATOM 0 HA PHE A 24 4.071 -11.011 5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.575 -10.711 3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.510 -12.158 3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.677 -12.543 6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.544 -10.747 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.146 -13.116 8.298 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.072 -11.323 6.168 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.232 -12.507 8.151 1.00 0.00 H new ATOM 368 N GLY A 25 4.250 -10.425 2.443 1.00 0.00 N ATOM 369 CA GLY A 25 4.820 -9.967 1.165 1.00 0.00 C ATOM 370 C GLY A 25 4.427 -10.805 -0.040 1.00 0.00 C ATOM 371 O GLY A 25 4.277 -12.009 0.051 1.00 0.00 O ATOM 0 H GLY A 25 4.208 -11.441 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.508 -8.937 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.907 -9.962 1.248 1.00 0.00 H new ATOM 375 N LYS A 26 4.275 -10.118 -1.142 1.00 0.00 N ATOM 376 CA LYS A 26 3.897 -10.753 -2.431 1.00 0.00 C ATOM 377 C LYS A 26 4.757 -10.079 -3.493 1.00 0.00 C ATOM 378 O LYS A 26 5.161 -8.944 -3.322 1.00 0.00 O ATOM 379 CB LYS A 26 2.399 -10.511 -2.771 1.00 0.00 C ATOM 380 CG LYS A 26 1.434 -11.378 -1.916 1.00 0.00 C ATOM 381 CD LYS A 26 1.153 -10.776 -0.517 1.00 0.00 C ATOM 382 CE LYS A 26 0.174 -11.706 0.223 1.00 0.00 C ATOM 383 NZ LYS A 26 -0.064 -11.212 1.608 1.00 0.00 N ATOM 0 H LYS A 26 4.403 -9.108 -1.198 1.00 0.00 H new ATOM 0 HA LYS A 26 4.049 -11.831 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.163 -9.458 -2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.233 -10.726 -3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.491 -11.496 -2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.859 -12.374 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.081 -10.676 0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.729 -9.777 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.770 -11.756 -0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.578 -12.718 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.367 -11.869 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.362 -10.270 1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.087 -11.152 1.784 1.00 0.00 H new ATOM 397 N CYS A 27 5.012 -10.779 -4.566 1.00 0.00 N ATOM 398 CA CYS A 27 5.845 -10.173 -5.645 1.00 0.00 C ATOM 399 C CYS A 27 4.820 -9.711 -6.677 1.00 0.00 C ATOM 400 O CYS A 27 3.935 -10.471 -7.024 1.00 0.00 O ATOM 401 CB CYS A 27 6.778 -11.245 -6.208 1.00 0.00 C ATOM 402 SG CYS A 27 8.153 -10.614 -7.195 1.00 0.00 S ATOM 0 H CYS A 27 4.686 -11.729 -4.741 1.00 0.00 H new ATOM 0 HA CYS A 27 6.479 -9.350 -5.316 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.182 -11.827 -5.379 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.193 -11.929 -6.822 1.00 0.00 H new ATOM 407 N ILE A 28 4.960 -8.489 -7.140 1.00 0.00 N ATOM 408 CA ILE A 28 3.964 -7.984 -8.152 1.00 0.00 C ATOM 409 C ILE A 28 4.502 -7.745 -9.558 1.00 0.00 C ATOM 410 O ILE A 28 4.236 -8.504 -10.470 1.00 0.00 O ATOM 411 CB ILE A 28 3.343 -6.663 -7.579 1.00 0.00 C ATOM 412 CG1 ILE A 28 2.641 -6.917 -6.211 1.00 0.00 C ATOM 413 CG2 ILE A 28 2.348 -6.014 -8.584 1.00 0.00 C ATOM 414 CD1 ILE A 28 1.485 -7.938 -6.299 1.00 0.00 C ATOM 0 H ILE A 28 5.695 -7.834 -6.874 1.00 0.00 H new ATOM 0 HA ILE A 28 3.227 -8.776 -8.289 1.00 0.00 H new ATOM 0 HB ILE A 28 4.166 -5.966 -7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.379 -7.275 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.254 -5.973 -5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.938 -5.101 -8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.871 -5.774 -9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.537 -6.711 -8.795 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.039 -8.069 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.729 -7.572 -6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.870 -8.894 -6.653 1.00 0.00 H new ATOM 426 N ASN A 29 5.245 -6.688 -9.666 1.00 0.00 N ATOM 427 CA ASN A 29 5.857 -6.280 -10.965 1.00 0.00 C ATOM 428 C ASN A 29 7.369 -6.484 -10.918 1.00 0.00 C ATOM 429 O ASN A 29 8.127 -5.735 -11.506 1.00 0.00 O ATOM 430 CB ASN A 29 5.480 -4.801 -11.183 1.00 0.00 C ATOM 431 CG ASN A 29 5.919 -3.971 -9.959 1.00 0.00 C ATOM 432 OD1 ASN A 29 7.083 -3.899 -9.616 1.00 0.00 O ATOM 433 ND2 ASN A 29 5.010 -3.334 -9.274 1.00 0.00 N ATOM 0 H ASN A 29 5.464 -6.067 -8.887 1.00 0.00 H new ATOM 0 HA ASN A 29 5.490 -6.884 -11.795 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.961 -4.421 -12.084 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.404 -4.707 -11.332 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.279 -2.782 -8.459 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.030 -3.388 -9.553 1.00 0.00 H new ATOM 440 N GLY A 30 7.755 -7.513 -10.208 1.00 0.00 N ATOM 441 CA GLY A 30 9.203 -7.826 -10.076 1.00 0.00 C ATOM 442 C GLY A 30 9.680 -7.291 -8.727 1.00 0.00 C ATOM 443 O GLY A 30 10.640 -7.790 -8.178 1.00 0.00 O ATOM 0 H GLY A 30 7.127 -8.148 -9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.368 -8.902 -10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.767 -7.369 -10.889 1.00 0.00 H new ATOM 447 N LYS A 31 8.979 -6.291 -8.237 1.00 0.00 N ATOM 448 CA LYS A 31 9.316 -5.652 -6.943 1.00 0.00 C ATOM 449 C LYS A 31 8.367 -6.198 -5.878 1.00 0.00 C ATOM 450 O LYS A 31 7.383 -6.845 -6.186 1.00 0.00 O ATOM 451 CB LYS A 31 9.155 -4.115 -7.097 1.00 0.00 C ATOM 452 CG LYS A 31 10.000 -3.364 -6.031 1.00 0.00 C ATOM 453 CD LYS A 31 9.766 -1.837 -6.102 1.00 0.00 C ATOM 454 CE LYS A 31 8.423 -1.459 -5.436 1.00 0.00 C ATOM 455 NZ LYS A 31 8.458 -1.789 -3.980 1.00 0.00 N ATOM 0 H LYS A 31 8.166 -5.888 -8.703 1.00 0.00 H new ATOM 0 HA LYS A 31 10.342 -5.869 -6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.467 -3.810 -8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.105 -3.842 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.741 -3.728 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.057 -3.580 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.584 -1.315 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.766 -1.512 -7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.229 -0.395 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.606 -1.995 -5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.717 -2.486 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.388 -2.185 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.293 -0.926 -3.424 1.00 0.00 H new ATOM 469 N CYS A 32 8.701 -5.910 -4.649 1.00 0.00 N ATOM 470 CA CYS A 32 7.860 -6.387 -3.503 1.00 0.00 C ATOM 471 C CYS A 32 6.695 -5.475 -3.118 1.00 0.00 C ATOM 472 O CYS A 32 6.782 -4.265 -3.205 1.00 0.00 O ATOM 473 CB CYS A 32 8.734 -6.525 -2.252 1.00 0.00 C ATOM 474 SG CYS A 32 7.954 -6.863 -0.657 1.00 0.00 S ATOM 0 H CYS A 32 9.521 -5.364 -4.384 1.00 0.00 H new ATOM 0 HA CYS A 32 7.438 -7.330 -3.851 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.452 -7.323 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 32 9.304 -5.602 -2.148 1.00 0.00 H new ATOM 479 N ASP A 33 5.637 -6.127 -2.700 1.00 0.00 N ATOM 480 CA ASP A 33 4.403 -5.433 -2.264 1.00 0.00 C ATOM 481 C ASP A 33 4.073 -6.101 -0.930 1.00 0.00 C ATOM 482 O ASP A 33 4.145 -7.307 -0.844 1.00 0.00 O ATOM 483 CB ASP A 33 3.311 -5.689 -3.261 1.00 0.00 C ATOM 484 CG ASP A 33 2.069 -4.860 -2.880 1.00 0.00 C ATOM 485 OD1 ASP A 33 2.173 -3.646 -2.958 1.00 0.00 O ATOM 486 OD2 ASP A 33 1.086 -5.490 -2.527 1.00 0.00 O ATOM 0 H ASP A 33 5.585 -7.144 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 33 4.514 -4.352 -2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.647 -5.422 -4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.062 -6.750 -3.281 1.00 0.00 H new ATOM 491 N CYS A 34 3.707 -5.351 0.068 1.00 0.00 N ATOM 492 CA CYS A 34 3.388 -5.964 1.375 1.00 0.00 C ATOM 493 C CYS A 34 1.898 -5.921 1.672 1.00 0.00 C ATOM 494 O CYS A 34 1.143 -5.231 1.013 1.00 0.00 O ATOM 495 CB CYS A 34 4.165 -5.199 2.408 1.00 0.00 C ATOM 496 SG CYS A 34 5.927 -4.947 2.093 1.00 0.00 S ATOM 0 H CYS A 34 3.616 -4.336 0.031 1.00 0.00 H new ATOM 0 HA CYS A 34 3.662 -7.019 1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.699 -4.221 2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.063 -5.718 3.361 1.00 0.00 H new ATOM 501 N THR A 35 1.542 -6.682 2.675 1.00 0.00 N ATOM 502 CA THR A 35 0.128 -6.772 3.122 1.00 0.00 C ATOM 503 C THR A 35 0.068 -6.315 4.597 1.00 0.00 C ATOM 504 O THR A 35 -0.219 -7.107 5.472 1.00 0.00 O ATOM 505 CB THR A 35 -0.269 -8.229 2.924 1.00 0.00 C ATOM 506 OG1 THR A 35 -0.171 -8.416 1.517 1.00 0.00 O ATOM 507 CG2 THR A 35 -1.752 -8.503 3.269 1.00 0.00 C ATOM 0 H THR A 35 2.191 -7.256 3.212 1.00 0.00 H new ATOM 0 HA THR A 35 -0.563 -6.136 2.568 1.00 0.00 H new ATOM 0 HB THR A 35 0.352 -8.869 3.552 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.765 -8.570 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.974 -9.558 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.936 -8.249 4.313 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.393 -7.896 2.630 1.00 0.00 H new ATOM 515 N PRO A 36 0.344 -5.052 4.846 1.00 0.00 N ATOM 516 CA PRO A 36 0.422 -4.491 6.219 1.00 0.00 C ATOM 517 C PRO A 36 -0.953 -4.460 6.890 1.00 0.00 C ATOM 518 O PRO A 36 -1.958 -4.780 6.284 1.00 0.00 O ATOM 519 CB PRO A 36 1.023 -3.107 6.022 1.00 0.00 C ATOM 520 CG PRO A 36 0.435 -2.708 4.648 1.00 0.00 C ATOM 521 CD PRO A 36 0.608 -3.995 3.832 1.00 0.00 C ATOM 0 HA PRO A 36 1.030 -5.095 6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.728 -2.415 6.811 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.113 -3.131 6.011 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.611 -2.412 4.724 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.972 -1.870 4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.094 -4.046 2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.610 -4.077 3.410 1.00 0.00 H new ATOM 529 N LYS A 37 -0.908 -4.070 8.137 1.00 0.00 N ATOM 530 CA LYS A 37 -2.116 -3.954 9.020 1.00 0.00 C ATOM 531 C LYS A 37 -3.416 -3.623 8.263 1.00 0.00 C ATOM 532 O LYS A 37 -4.387 -4.351 8.308 1.00 0.00 O ATOM 533 CB LYS A 37 -1.817 -2.867 10.082 1.00 0.00 C ATOM 534 CG LYS A 37 -2.989 -2.701 11.095 1.00 0.00 C ATOM 535 CD LYS A 37 -3.331 -4.026 11.833 1.00 0.00 C ATOM 536 CE LYS A 37 -2.117 -4.553 12.625 1.00 0.00 C ATOM 537 NZ LYS A 37 -2.488 -5.803 13.347 1.00 0.00 N ATOM 0 H LYS A 37 -0.039 -3.814 8.605 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.295 -4.927 9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.906 -3.128 10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.631 -1.915 9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.726 -1.938 11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.873 -2.344 10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.168 -3.862 12.512 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.650 -4.776 11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.286 -4.747 11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.780 -3.798 13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.666 -6.154 13.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.268 -5.605 14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.789 -6.524 12.661 1.00 0.00 H new HETATM 551 N NH2 A 38 -3.468 -2.528 7.555 1.00 1.00 N TER 554 NH2 A 38