USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 286 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0196 K(o=-0.02,f=-1.3) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.73 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -133:sc= -0.524 (180deg=-1.84) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -166:sc=-0.00162 (180deg=-0.213) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.328 -0.079 11.990 1.00 1.00 N ATOM 2 CA GLY A 1 3.968 -0.232 11.403 1.00 1.00 C ATOM 3 C GLY A 1 3.695 0.684 10.269 1.00 1.00 C ATOM 4 O GLY A 1 2.764 1.489 10.376 1.00 1.00 O ATOM 0 H1 GLY A 1 5.445 -0.751 12.775 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.044 -0.271 11.261 1.00 1.00 H new ATOM 0 H3 GLY A 1 5.446 0.892 12.344 1.00 1.00 H new ATOM 0 HA2 GLY A 1 3.843 -1.260 11.064 1.00 1.00 H new ATOM 0 HA3 GLY A 1 3.225 -0.061 12.182 1.00 1.00 H new ATOM 7 N VAL A 2 4.470 0.615 9.172 1.00 1.00 N ATOM 8 CA VAL A 2 4.070 1.438 8.065 1.00 1.00 C ATOM 9 C VAL A 2 3.307 0.494 7.165 1.00 1.00 C ATOM 10 O VAL A 2 3.849 -0.254 6.351 1.00 1.00 O ATOM 11 CB VAL A 2 5.279 2.034 7.316 1.00 1.00 C ATOM 12 CG1 VAL A 2 5.886 3.181 8.113 1.00 1.00 C ATOM 13 CG2 VAL A 2 6.322 0.958 7.032 1.00 1.00 C ATOM 0 H VAL A 2 5.305 0.043 9.048 1.00 1.00 H new ATOM 0 HA VAL A 2 3.481 2.295 8.393 1.00 1.00 H new ATOM 0 HB VAL A 2 4.932 2.427 6.360 1.00 1.00 H new ATOM 0 HG11 VAL A 2 6.738 3.590 7.570 1.00 1.00 H new ATOM 0 HG12 VAL A 2 5.138 3.961 8.256 1.00 1.00 H new ATOM 0 HG13 VAL A 2 6.217 2.814 9.084 1.00 1.00 H new ATOM 0 HG21 VAL A 2 7.166 1.400 6.503 1.00 1.00 H new ATOM 0 HG22 VAL A 2 6.668 0.529 7.973 1.00 1.00 H new ATOM 0 HG23 VAL A 2 5.879 0.175 6.417 1.00 1.00 H new ATOM 23 N GLU A 3 2.013 0.584 7.371 1.00 1.00 N ATOM 24 CA GLU A 3 0.983 -0.154 6.676 1.00 1.00 C ATOM 25 C GLU A 3 -0.235 0.698 6.751 1.00 1.00 C ATOM 26 O GLU A 3 -0.329 1.545 7.650 1.00 1.00 O ATOM 27 CB GLU A 3 0.741 -1.515 7.342 1.00 1.00 C ATOM 28 CG GLU A 3 0.301 -1.413 8.797 1.00 1.00 C ATOM 29 CD GLU A 3 1.077 -2.338 9.718 1.00 1.00 C ATOM 30 OE1 GLU A 3 1.494 -1.883 10.804 1.00 1.00 O ATOM 31 OE2 GLU A 3 1.264 -3.519 9.356 1.00 1.00 O ATOM 0 H GLU A 3 1.627 1.215 8.073 1.00 1.00 H new ATOM 0 HA GLU A 3 1.265 -0.364 5.644 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -0.019 -2.056 6.778 1.00 1.00 H new ATOM 0 HB3 GLU A 3 1.657 -2.104 7.289 1.00 1.00 H new ATOM 0 HG2 GLU A 3 0.424 -0.385 9.137 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -0.761 -1.647 8.867 1.00 1.00 H new ATOM 38 N ILE A 4 -1.156 0.516 5.863 1.00 1.00 N ATOM 39 CA ILE A 4 -2.370 1.271 5.956 1.00 1.00 C ATOM 40 C ILE A 4 -3.531 0.326 5.764 1.00 1.00 C ATOM 41 O ILE A 4 -3.389 -0.646 5.015 1.00 1.00 O ATOM 42 CB ILE A 4 -2.434 2.413 4.902 1.00 1.00 C ATOM 43 CG1 ILE A 4 -2.515 1.850 3.458 1.00 1.00 C ATOM 44 CG2 ILE A 4 -1.227 3.327 5.047 1.00 1.00 C ATOM 45 CD1 ILE A 4 -3.232 2.756 2.487 1.00 1.00 C ATOM 0 H ILE A 4 -1.099 -0.134 5.079 1.00 1.00 H new ATOM 0 HA ILE A 4 -2.412 1.744 6.937 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.342 2.988 5.085 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.504 1.669 3.092 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -3.023 0.886 3.483 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -1.282 4.123 4.304 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -1.219 3.763 6.046 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -0.314 2.751 4.895 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -3.247 2.293 1.500 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -4.255 2.918 2.827 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -2.713 3.713 2.431 1.00 1.00 H new ATOM 57 N ASN A 5 -4.667 0.557 6.417 1.00 1.00 N ATOM 58 CA ASN A 5 -5.760 -0.345 6.161 1.00 1.00 C ATOM 59 C ASN A 5 -6.381 0.125 4.866 1.00 1.00 C ATOM 60 O ASN A 5 -7.020 1.176 4.802 1.00 1.00 O ATOM 61 CB ASN A 5 -6.787 -0.316 7.299 1.00 1.00 C ATOM 62 CG ASN A 5 -6.200 -0.754 8.629 1.00 1.00 C ATOM 63 OD1 ASN A 5 -5.045 -1.171 8.705 1.00 1.00 O ATOM 64 ND2 ASN A 5 -6.999 -0.660 9.687 1.00 1.00 N ATOM 0 H ASN A 5 -4.841 1.311 7.082 1.00 1.00 H new ATOM 0 HA ASN A 5 -5.413 -1.376 6.093 1.00 1.00 H new ATOM 0 HB2 ASN A 5 -7.186 0.694 7.397 1.00 1.00 H new ATOM 0 HB3 ASN A 5 -7.624 -0.966 7.044 1.00 1.00 H new ATOM 0 HD21 ASN A 5 -6.661 -0.939 10.608 1.00 1.00 H new ATOM 0 HD22 ASN A 5 -7.950 -0.308 9.578 1.00 1.00 H new ATOM 71 N VAL A 6 -6.184 -0.679 3.836 1.00 1.00 N ATOM 72 CA VAL A 6 -6.697 -0.379 2.520 1.00 1.00 C ATOM 73 C VAL A 6 -7.231 -1.657 1.878 1.00 1.00 C ATOM 74 O VAL A 6 -6.672 -2.733 2.101 1.00 1.00 O ATOM 75 CB VAL A 6 -5.621 0.355 1.612 1.00 1.00 C ATOM 76 CG1 VAL A 6 -4.975 -0.568 0.575 1.00 1.00 C ATOM 77 CG2 VAL A 6 -6.268 1.550 0.920 1.00 1.00 C ATOM 0 H VAL A 6 -5.665 -1.555 3.893 1.00 1.00 H new ATOM 0 HA VAL A 6 -7.523 0.325 2.618 1.00 1.00 H new ATOM 0 HB VAL A 6 -4.819 0.687 2.271 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -4.250 -0.004 -0.012 1.00 1.00 H new ATOM 0 HG12 VAL A 6 -4.470 -1.390 1.083 1.00 1.00 H new ATOM 0 HG13 VAL A 6 -5.744 -0.968 -0.086 1.00 1.00 H new ATOM 0 HG21 VAL A 6 -5.529 2.054 0.297 1.00 1.00 H new ATOM 0 HG22 VAL A 6 -7.094 1.206 0.297 1.00 1.00 H new ATOM 0 HG23 VAL A 6 -6.644 2.245 1.670 1.00 1.00 H new ATOM 87 N LYS A 7 -8.296 -1.559 1.094 1.00 1.00 N ATOM 88 CA LYS A 7 -8.804 -2.742 0.426 1.00 1.00 C ATOM 89 C LYS A 7 -7.900 -2.985 -0.774 1.00 1.00 C ATOM 90 O LYS A 7 -7.891 -2.197 -1.720 1.00 1.00 O ATOM 91 CB LYS A 7 -10.259 -2.541 -0.016 1.00 1.00 C ATOM 92 CG LYS A 7 -11.051 -3.836 -0.139 1.00 1.00 C ATOM 93 CD LYS A 7 -11.689 -4.238 1.187 1.00 1.00 C ATOM 94 CE LYS A 7 -12.703 -5.356 0.998 1.00 1.00 C ATOM 95 NZ LYS A 7 -13.855 -5.225 1.933 1.00 1.00 N ATOM 0 H LYS A 7 -8.810 -0.698 0.910 1.00 1.00 H new ATOM 0 HA LYS A 7 -8.799 -3.600 1.098 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.759 -1.888 0.699 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.269 -2.028 -0.978 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -11.828 -3.717 -0.895 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.392 -4.634 -0.482 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.914 -4.561 1.882 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -12.178 -3.373 1.634 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -13.067 -5.346 -0.030 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -12.216 -6.318 1.155 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -14.523 -6.006 1.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -13.512 -5.260 2.914 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -14.336 -4.318 1.766 1.00 1.00 H new ATOM 109 N CYS A 8 -7.145 -4.079 -0.738 1.00 1.00 N ATOM 110 CA CYS A 8 -6.202 -4.370 -1.810 1.00 1.00 C ATOM 111 C CYS A 8 -6.388 -5.756 -2.390 1.00 1.00 C ATOM 112 O CYS A 8 -6.926 -6.671 -1.765 1.00 1.00 O ATOM 113 CB CYS A 8 -4.739 -4.245 -1.321 1.00 1.00 C ATOM 114 SG CYS A 8 -4.248 -5.480 -0.073 1.00 1.00 S ATOM 0 H CYS A 8 -7.167 -4.770 0.012 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.406 -3.633 -2.586 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -4.074 -4.332 -2.180 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -4.593 -3.249 -0.904 1.00 1.00 H new ATOM 119 N SER A 9 -5.918 -5.859 -3.611 1.00 1.00 N ATOM 120 CA SER A 9 -5.926 -7.073 -4.379 1.00 1.00 C ATOM 121 C SER A 9 -4.712 -6.989 -5.287 1.00 1.00 C ATOM 122 O SER A 9 -4.566 -6.015 -6.021 1.00 1.00 O ATOM 123 CB SER A 9 -7.223 -7.127 -5.174 1.00 1.00 C ATOM 124 OG SER A 9 -7.936 -8.328 -4.924 1.00 1.00 O ATOM 0 H SER A 9 -5.506 -5.071 -4.110 1.00 1.00 H new ATOM 0 HA SER A 9 -5.877 -7.975 -3.768 1.00 1.00 H new ATOM 0 HB2 SER A 9 -7.846 -6.272 -4.914 1.00 1.00 H new ATOM 0 HB3 SER A 9 -7.002 -7.048 -6.239 1.00 1.00 H new ATOM 0 HG SER A 9 -8.764 -8.332 -5.448 1.00 1.00 H new ATOM 130 N GLY A 10 -3.852 -7.992 -5.269 1.00 1.00 N ATOM 131 CA GLY A 10 -2.645 -7.901 -6.069 1.00 1.00 C ATOM 132 C GLY A 10 -1.782 -6.724 -5.619 1.00 1.00 C ATOM 133 O GLY A 10 -2.243 -5.879 -4.851 1.00 1.00 O ATOM 0 H GLY A 10 -3.960 -8.851 -4.729 1.00 1.00 H new ATOM 0 HA2 GLY A 10 -2.077 -8.827 -5.984 1.00 1.00 H new ATOM 0 HA3 GLY A 10 -2.908 -7.783 -7.120 1.00 1.00 H new ATOM 137 N SER A 11 -0.543 -6.661 -6.086 1.00 1.00 N ATOM 138 CA SER A 11 0.372 -5.583 -5.695 1.00 1.00 C ATOM 139 C SER A 11 -0.062 -4.199 -6.222 1.00 1.00 C ATOM 140 O SER A 11 -0.135 -3.227 -5.461 1.00 1.00 O ATOM 141 CB SER A 11 1.797 -5.901 -6.173 1.00 1.00 C ATOM 142 OG SER A 11 1.818 -7.038 -7.024 1.00 1.00 O ATOM 0 H SER A 11 -0.143 -7.339 -6.735 1.00 1.00 H new ATOM 0 HA SER A 11 0.345 -5.530 -4.607 1.00 1.00 H new ATOM 0 HB2 SER A 11 2.205 -5.040 -6.703 1.00 1.00 H new ATOM 0 HB3 SER A 11 2.440 -6.078 -5.311 1.00 1.00 H new ATOM 0 HG SER A 11 2.738 -7.214 -7.313 1.00 1.00 H new ATOM 148 N PRO A 12 -0.360 -4.090 -7.527 1.00 1.00 N ATOM 149 CA PRO A 12 -0.738 -2.813 -8.158 1.00 1.00 C ATOM 150 C PRO A 12 -1.905 -2.098 -7.487 1.00 1.00 C ATOM 151 O PRO A 12 -1.942 -0.869 -7.447 1.00 1.00 O ATOM 152 CB PRO A 12 -1.148 -3.234 -9.561 1.00 1.00 C ATOM 153 CG PRO A 12 -0.326 -4.446 -9.815 1.00 1.00 C ATOM 154 CD PRO A 12 -0.323 -5.186 -8.508 1.00 1.00 C ATOM 0 HA PRO A 12 0.085 -2.100 -8.101 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -2.214 -3.453 -9.619 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -0.944 -2.451 -10.291 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -0.753 -5.054 -10.613 1.00 1.00 H new ATOM 0 HG3 PRO A 12 0.686 -4.181 -10.122 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -1.185 -5.846 -8.413 1.00 1.00 H new ATOM 0 HD3 PRO A 12 0.567 -5.805 -8.393 1.00 1.00 H new ATOM 162 N GLN A 13 -2.860 -2.857 -6.970 1.00 1.00 N ATOM 163 CA GLN A 13 -4.020 -2.258 -6.320 1.00 1.00 C ATOM 164 C GLN A 13 -3.596 -1.413 -5.122 1.00 1.00 C ATOM 165 O GLN A 13 -4.223 -0.398 -4.832 1.00 1.00 O ATOM 166 CB GLN A 13 -5.007 -3.331 -5.890 1.00 1.00 C ATOM 167 CG GLN A 13 -6.369 -2.785 -5.483 1.00 1.00 C ATOM 168 CD GLN A 13 -7.444 -3.063 -6.520 1.00 1.00 C ATOM 169 OE1 GLN A 13 -7.967 -4.174 -6.607 1.00 1.00 O ATOM 170 NE2 GLN A 13 -7.774 -2.052 -7.314 1.00 1.00 N ATOM 0 H GLN A 13 -2.857 -3.877 -6.986 1.00 1.00 H new ATOM 0 HA GLN A 13 -4.511 -1.605 -7.041 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -5.139 -4.039 -6.708 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -4.584 -3.887 -5.053 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -6.664 -3.228 -4.532 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -6.292 -1.709 -5.324 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -7.314 -1.148 -7.206 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -8.487 -2.179 -8.032 1.00 1.00 H new ATOM 179 N CYS A 14 -2.545 -1.847 -4.415 1.00 1.00 N ATOM 180 CA CYS A 14 -2.029 -1.080 -3.279 1.00 1.00 C ATOM 181 C CYS A 14 -1.136 0.058 -3.790 1.00 1.00 C ATOM 182 O CYS A 14 -0.902 1.049 -3.093 1.00 1.00 O ATOM 183 CB CYS A 14 -1.269 -1.974 -2.288 1.00 1.00 C ATOM 184 SG CYS A 14 -2.134 -2.211 -0.691 1.00 1.00 S ATOM 0 H CYS A 14 -2.042 -2.713 -4.607 1.00 1.00 H new ATOM 0 HA CYS A 14 -2.875 -0.655 -2.738 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -1.101 -2.948 -2.747 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -0.288 -1.538 -2.098 1.00 1.00 H new ATOM 189 N LEU A 15 -0.628 -0.086 -5.015 1.00 1.00 N ATOM 190 CA LEU A 15 0.174 0.966 -5.624 1.00 1.00 C ATOM 191 C LEU A 15 -0.661 2.251 -5.740 1.00 1.00 C ATOM 192 O LEU A 15 -0.131 3.357 -5.649 1.00 1.00 O ATOM 193 CB LEU A 15 0.672 0.526 -7.012 1.00 1.00 C ATOM 194 CG LEU A 15 2.190 0.391 -7.159 1.00 1.00 C ATOM 195 CD1 LEU A 15 2.558 0.070 -8.600 1.00 1.00 C ATOM 196 CD2 LEU A 15 2.887 1.665 -6.703 1.00 1.00 C ATOM 0 H LEU A 15 -0.758 -0.914 -5.597 1.00 1.00 H new ATOM 0 HA LEU A 15 1.042 1.160 -4.994 1.00 1.00 H new ATOM 0 HB2 LEU A 15 0.215 -0.433 -7.255 1.00 1.00 H new ATOM 0 HB3 LEU A 15 0.316 1.245 -7.750 1.00 1.00 H new ATOM 0 HG LEU A 15 2.525 -0.430 -6.525 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.641 -0.023 -8.687 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.089 -0.868 -8.895 1.00 1.00 H new ATOM 0 HD13 LEU A 15 2.209 0.871 -9.252 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.965 1.550 -6.815 1.00 1.00 H new ATOM 0 HD22 LEU A 15 2.547 2.503 -7.311 1.00 1.00 H new ATOM 0 HD23 LEU A 15 2.649 1.855 -5.656 1.00 1.00 H new ATOM 208 N LYS A 16 -1.975 2.086 -5.943 1.00 1.00 N ATOM 209 CA LYS A 16 -2.877 3.230 -6.088 1.00 1.00 C ATOM 210 C LYS A 16 -3.031 4.034 -4.791 1.00 1.00 C ATOM 211 O LYS A 16 -2.824 5.248 -4.799 1.00 1.00 O ATOM 212 CB LYS A 16 -4.251 2.766 -6.590 1.00 1.00 C ATOM 213 CG LYS A 16 -4.750 3.545 -7.803 1.00 1.00 C ATOM 214 CD LYS A 16 -6.170 3.146 -8.183 1.00 1.00 C ATOM 215 CE LYS A 16 -6.819 4.168 -9.107 1.00 1.00 C ATOM 216 NZ LYS A 16 -7.025 3.627 -10.480 1.00 1.00 N ATOM 0 H LYS A 16 -2.432 1.177 -6.010 1.00 1.00 H new ATOM 0 HA LYS A 16 -2.425 3.896 -6.823 1.00 1.00 H new ATOM 0 HB2 LYS A 16 -4.198 1.708 -6.845 1.00 1.00 H new ATOM 0 HB3 LYS A 16 -4.976 2.863 -5.782 1.00 1.00 H new ATOM 0 HG2 LYS A 16 -4.717 4.613 -7.588 1.00 1.00 H new ATOM 0 HG3 LYS A 16 -4.084 3.369 -8.648 1.00 1.00 H new ATOM 0 HD2 LYS A 16 -6.155 2.172 -8.672 1.00 1.00 H new ATOM 0 HD3 LYS A 16 -6.771 3.040 -7.280 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -7.778 4.476 -8.691 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -6.193 5.059 -9.158 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -7.469 4.354 -11.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -6.107 3.357 -10.888 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -7.643 2.792 -10.435 1.00 1.00 H new ATOM 230 N PRO A 17 -3.394 3.396 -3.657 1.00 1.00 N ATOM 231 CA PRO A 17 -3.527 4.122 -2.383 1.00 1.00 C ATOM 232 C PRO A 17 -2.228 4.848 -1.993 1.00 1.00 C ATOM 233 O PRO A 17 -2.247 6.006 -1.541 1.00 1.00 O ATOM 234 CB PRO A 17 -3.874 3.016 -1.360 1.00 1.00 C ATOM 235 CG PRO A 17 -3.617 1.718 -2.061 1.00 1.00 C ATOM 236 CD PRO A 17 -3.783 1.979 -3.530 1.00 1.00 C ATOM 0 HA PRO A 17 -4.283 4.906 -2.436 1.00 1.00 H new ATOM 0 HB2 PRO A 17 -3.260 3.105 -0.464 1.00 1.00 H new ATOM 0 HB3 PRO A 17 -4.914 3.090 -1.042 1.00 1.00 H new ATOM 0 HG2 PRO A 17 -2.613 1.354 -1.844 1.00 1.00 H new ATOM 0 HG3 PRO A 17 -4.314 0.951 -1.723 1.00 1.00 H new ATOM 0 HD2 PRO A 17 -3.146 1.330 -4.131 1.00 1.00 H new ATOM 0 HD3 PRO A 17 -4.809 1.810 -3.857 1.00 1.00 H new ATOM 244 N CYS A 18 -1.087 4.200 -2.231 1.00 1.00 N ATOM 245 CA CYS A 18 0.198 4.806 -1.896 1.00 1.00 C ATOM 246 C CYS A 18 0.557 5.919 -2.889 1.00 1.00 C ATOM 247 O CYS A 18 1.328 6.823 -2.562 1.00 1.00 O ATOM 248 CB CYS A 18 1.307 3.747 -1.836 1.00 1.00 C ATOM 249 SG CYS A 18 2.421 3.901 -0.389 1.00 1.00 S ATOM 0 H CYS A 18 -1.027 3.271 -2.648 1.00 1.00 H new ATOM 0 HA CYS A 18 0.108 5.255 -0.907 1.00 1.00 H new ATOM 0 HB2 CYS A 18 0.848 2.758 -1.823 1.00 1.00 H new ATOM 0 HB3 CYS A 18 1.903 3.810 -2.747 1.00 1.00 H new ATOM 254 N LYS A 19 0.000 5.853 -4.103 1.00 1.00 N ATOM 255 CA LYS A 19 0.262 6.876 -5.115 1.00 1.00 C ATOM 256 C LYS A 19 -0.250 8.234 -4.645 1.00 1.00 C ATOM 257 O LYS A 19 0.444 9.245 -4.755 1.00 1.00 O ATOM 258 CB LYS A 19 -0.400 6.509 -6.448 1.00 1.00 C ATOM 259 CG LYS A 19 -0.091 7.494 -7.569 1.00 1.00 C ATOM 260 CD LYS A 19 -0.955 7.242 -8.797 1.00 1.00 C ATOM 261 CE LYS A 19 -0.575 8.167 -9.944 1.00 1.00 C ATOM 262 NZ LYS A 19 -0.853 7.552 -11.272 1.00 1.00 N ATOM 0 H LYS A 19 -0.629 5.109 -4.405 1.00 1.00 H new ATOM 0 HA LYS A 19 1.340 6.931 -5.264 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -0.070 5.514 -6.747 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -1.480 6.458 -6.307 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -0.253 8.512 -7.213 1.00 1.00 H new ATOM 0 HG3 LYS A 19 0.961 7.415 -7.842 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -0.846 6.205 -9.113 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -2.004 7.389 -8.542 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -1.128 9.102 -9.854 1.00 1.00 H new ATOM 0 HE3 LYS A 19 0.484 8.415 -9.874 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -0.580 8.215 -12.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -0.306 6.673 -11.369 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -1.868 7.338 -11.350 1.00 1.00 H new ATOM 276 N ASP A 20 -1.475 8.248 -4.126 1.00 1.00 N ATOM 277 CA ASP A 20 -2.076 9.476 -3.626 1.00 1.00 C ATOM 278 C ASP A 20 -1.403 9.917 -2.331 1.00 1.00 C ATOM 279 O ASP A 20 -1.439 11.098 -1.979 1.00 1.00 O ATOM 280 CB ASP A 20 -3.581 9.294 -3.404 1.00 1.00 C ATOM 281 CG ASP A 20 -4.338 10.611 -3.463 1.00 1.00 C ATOM 282 OD1 ASP A 20 -3.692 11.675 -3.350 1.00 1.00 O ATOM 283 OD2 ASP A 20 -5.577 10.576 -3.622 1.00 1.00 O ATOM 0 H ASP A 20 -2.068 7.423 -4.042 1.00 1.00 H new ATOM 0 HA ASP A 20 -1.928 10.252 -4.377 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -3.978 8.616 -4.159 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -3.749 8.825 -2.435 1.00 1.00 H new ATOM 288 N ALA A 21 -0.784 8.971 -1.616 1.00 1.00 N ATOM 289 CA ALA A 21 -0.101 9.309 -0.367 1.00 1.00 C ATOM 290 C ALA A 21 1.268 9.970 -0.604 1.00 1.00 C ATOM 291 O ALA A 21 1.906 10.433 0.343 1.00 1.00 O ATOM 292 CB ALA A 21 0.058 8.066 0.493 1.00 1.00 C ATOM 0 H ALA A 21 -0.743 7.985 -1.875 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.722 10.038 0.153 1.00 1.00 H new ATOM 0 HB1 ALA A 21 0.567 8.328 1.420 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.925 7.654 0.723 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.646 7.323 -0.046 1.00 1.00 H new ATOM 298 N GLY A 22 1.720 10.021 -1.861 1.00 1.00 N ATOM 299 CA GLY A 22 2.991 10.667 -2.171 1.00 1.00 C ATOM 300 C GLY A 22 4.223 9.872 -1.759 1.00 1.00 C ATOM 301 O GLY A 22 5.316 10.432 -1.671 1.00 1.00 O ATOM 0 H GLY A 22 1.231 9.629 -2.666 1.00 1.00 H new ATOM 0 HA2 GLY A 22 3.037 10.853 -3.244 1.00 1.00 H new ATOM 0 HA3 GLY A 22 3.020 11.638 -1.678 1.00 1.00 H new ATOM 305 N MET A 23 4.061 8.577 -1.507 1.00 1.00 N ATOM 306 CA MET A 23 5.188 7.731 -1.106 1.00 1.00 C ATOM 307 C MET A 23 5.653 6.850 -2.268 1.00 1.00 C ATOM 308 O MET A 23 5.099 6.918 -3.366 1.00 1.00 O ATOM 309 CB MET A 23 4.796 6.862 0.089 1.00 1.00 C ATOM 310 CG MET A 23 4.422 7.669 1.323 1.00 1.00 C ATOM 311 SD MET A 23 5.773 8.713 1.907 1.00 1.00 S ATOM 312 CE MET A 23 5.095 10.347 1.627 1.00 1.00 C ATOM 0 H MET A 23 3.167 8.089 -1.572 1.00 1.00 H new ATOM 0 HA MET A 23 6.015 8.380 -0.818 1.00 1.00 H new ATOM 0 HB2 MET A 23 3.954 6.229 -0.192 1.00 1.00 H new ATOM 0 HB3 MET A 23 5.625 6.199 0.335 1.00 1.00 H new ATOM 0 HG2 MET A 23 3.558 8.293 1.096 1.00 1.00 H new ATOM 0 HG3 MET A 23 4.123 6.989 2.120 1.00 1.00 H new ATOM 0 HE1 MET A 23 5.840 10.970 1.132 1.00 1.00 H new ATOM 0 HE2 MET A 23 4.209 10.270 0.997 1.00 1.00 H new ATOM 0 HE3 MET A 23 4.823 10.797 2.582 1.00 1.00 H new ATOM 322 N ARG A 24 6.675 6.025 -2.026 1.00 1.00 N ATOM 323 CA ARG A 24 7.199 5.134 -3.064 1.00 1.00 C ATOM 324 C ARG A 24 7.223 3.676 -2.585 1.00 1.00 C ATOM 325 O ARG A 24 7.383 3.409 -1.396 1.00 1.00 O ATOM 326 CB ARG A 24 8.618 5.566 -3.464 1.00 1.00 C ATOM 327 CG ARG A 24 8.707 6.978 -4.037 1.00 1.00 C ATOM 328 CD ARG A 24 10.140 7.335 -4.413 1.00 1.00 C ATOM 329 NE ARG A 24 10.266 8.719 -4.879 1.00 1.00 N ATOM 330 CZ ARG A 24 11.434 9.340 -5.073 1.00 1.00 C ATOM 331 NH1 ARG A 24 12.581 8.716 -4.824 1.00 1.00 N ATOM 332 NH2 ARG A 24 11.454 10.590 -5.515 1.00 1.00 N ATOM 0 H ARG A 24 7.153 5.955 -1.128 1.00 1.00 H new ATOM 0 HA ARG A 24 6.538 5.203 -3.928 1.00 1.00 H new ATOM 0 HB2 ARG A 24 9.265 5.500 -2.589 1.00 1.00 H new ATOM 0 HB3 ARG A 24 9.005 4.862 -4.201 1.00 1.00 H new ATOM 0 HG2 ARG A 24 8.068 7.057 -4.916 1.00 1.00 H new ATOM 0 HG3 ARG A 24 8.332 7.694 -3.305 1.00 1.00 H new ATOM 0 HD2 ARG A 24 10.788 7.185 -3.549 1.00 1.00 H new ATOM 0 HD3 ARG A 24 10.487 6.658 -5.194 1.00 1.00 H new ATOM 0 HE ARG A 24 9.410 9.241 -5.067 1.00 1.00 H new ATOM 0 HH11 ARG A 24 12.575 7.755 -4.482 1.00 1.00 H new ATOM 0 HH12 ARG A 24 13.467 9.198 -4.975 1.00 1.00 H new ATOM 0 HH21 ARG A 24 10.579 11.077 -5.707 1.00 1.00 H new ATOM 0 HH22 ARG A 24 12.345 11.064 -5.663 1.00 1.00 H new ATOM 346 N PHE A 25 7.096 2.742 -3.536 1.00 1.00 N ATOM 347 CA PHE A 25 7.107 1.297 -3.249 1.00 1.00 C ATOM 348 C PHE A 25 6.038 0.883 -2.224 1.00 1.00 C ATOM 349 O PHE A 25 5.698 1.641 -1.312 1.00 1.00 O ATOM 350 CB PHE A 25 8.496 0.865 -2.761 1.00 1.00 C ATOM 351 CG PHE A 25 9.611 1.230 -3.705 1.00 1.00 C ATOM 352 CD1 PHE A 25 10.638 2.068 -3.297 1.00 1.00 C ATOM 353 CD2 PHE A 25 9.633 0.732 -4.999 1.00 1.00 C ATOM 354 CE1 PHE A 25 11.664 2.403 -4.161 1.00 1.00 C ATOM 355 CE2 PHE A 25 10.657 1.064 -5.868 1.00 1.00 C ATOM 356 CZ PHE A 25 11.673 1.901 -5.448 1.00 1.00 C ATOM 0 H PHE A 25 6.983 2.963 -4.525 1.00 1.00 H new ATOM 0 HA PHE A 25 6.867 0.789 -4.183 1.00 1.00 H new ATOM 0 HB2 PHE A 25 8.689 1.323 -1.791 1.00 1.00 H new ATOM 0 HB3 PHE A 25 8.499 -0.214 -2.610 1.00 1.00 H new ATOM 0 HD1 PHE A 25 10.636 2.464 -2.292 1.00 1.00 H new ATOM 0 HD2 PHE A 25 8.841 0.077 -5.332 1.00 1.00 H new ATOM 0 HE1 PHE A 25 12.458 3.056 -3.830 1.00 1.00 H new ATOM 0 HE2 PHE A 25 10.662 0.669 -6.873 1.00 1.00 H new ATOM 0 HZ PHE A 25 12.473 2.162 -6.125 1.00 1.00 H new ATOM 366 N GLY A 26 5.518 -0.343 -2.385 1.00 1.00 N ATOM 367 CA GLY A 26 4.494 -0.854 -1.477 1.00 1.00 C ATOM 368 C GLY A 26 4.108 -2.303 -1.766 1.00 1.00 C ATOM 369 O GLY A 26 4.696 -2.945 -2.636 1.00 1.00 O ATOM 0 H GLY A 26 5.789 -0.988 -3.127 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.855 -0.778 -0.451 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.606 -0.226 -1.550 1.00 1.00 H new ATOM 373 N LYS A 27 3.114 -2.818 -1.029 1.00 1.00 N ATOM 374 CA LYS A 27 2.643 -4.200 -1.207 1.00 1.00 C ATOM 375 C LYS A 27 1.205 -4.366 -0.690 1.00 1.00 C ATOM 376 O LYS A 27 0.578 -3.395 -0.266 1.00 1.00 O ATOM 377 CB LYS A 27 3.585 -5.177 -0.495 1.00 1.00 C ATOM 378 CG LYS A 27 4.571 -5.860 -1.435 1.00 1.00 C ATOM 379 CD LYS A 27 5.982 -5.889 -0.858 1.00 1.00 C ATOM 380 CE LYS A 27 6.877 -6.849 -1.628 1.00 1.00 C ATOM 381 NZ LYS A 27 8.283 -6.812 -1.140 1.00 1.00 N ATOM 0 H LYS A 27 2.620 -2.299 -0.303 1.00 1.00 H new ATOM 0 HA LYS A 27 2.644 -4.425 -2.274 1.00 1.00 H new ATOM 0 HB2 LYS A 27 4.140 -4.640 0.274 1.00 1.00 H new ATOM 0 HB3 LYS A 27 2.992 -5.938 0.013 1.00 1.00 H new ATOM 0 HG2 LYS A 27 4.238 -6.879 -1.631 1.00 1.00 H new ATOM 0 HG3 LYS A 27 4.581 -5.338 -2.392 1.00 1.00 H new ATOM 0 HD2 LYS A 27 6.410 -4.887 -0.888 1.00 1.00 H new ATOM 0 HD3 LYS A 27 5.942 -6.187 0.190 1.00 1.00 H new ATOM 0 HE2 LYS A 27 6.487 -7.863 -1.534 1.00 1.00 H new ATOM 0 HE3 LYS A 27 6.854 -6.595 -2.688 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 8.859 -7.480 -1.691 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 8.664 -5.851 -1.253 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 8.309 -7.079 -0.135 1.00 1.00 H new ATOM 395 N CYS A 28 0.686 -5.602 -0.726 1.00 1.00 N ATOM 396 CA CYS A 28 -0.686 -5.877 -0.271 1.00 1.00 C ATOM 397 C CYS A 28 -0.735 -7.064 0.706 1.00 1.00 C ATOM 398 O CYS A 28 0.101 -7.967 0.653 1.00 1.00 O ATOM 399 CB CYS A 28 -1.596 -6.132 -1.491 1.00 1.00 C ATOM 400 SG CYS A 28 -3.232 -6.886 -1.136 1.00 1.00 S ATOM 0 H CYS A 28 1.191 -6.422 -1.063 1.00 1.00 H new ATOM 0 HA CYS A 28 -1.048 -5.003 0.270 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -1.759 -5.183 -2.001 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.063 -6.780 -2.187 1.00 1.00 H new ATOM 405 N MET A 29 -1.732 -7.041 1.595 1.00 1.00 N ATOM 406 CA MET A 29 -1.934 -8.100 2.586 1.00 1.00 C ATOM 407 C MET A 29 -3.426 -8.277 2.882 1.00 1.00 C ATOM 408 O MET A 29 -4.214 -7.352 2.692 1.00 1.00 O ATOM 409 CB MET A 29 -1.172 -7.788 3.875 1.00 1.00 C ATOM 410 CG MET A 29 0.261 -8.295 3.868 1.00 1.00 C ATOM 411 SD MET A 29 0.366 -10.097 3.837 1.00 1.00 S ATOM 412 CE MET A 29 -0.171 -10.504 5.497 1.00 1.00 C ATOM 0 H MET A 29 -2.420 -6.290 1.648 1.00 1.00 H new ATOM 0 HA MET A 29 -1.546 -9.031 2.174 1.00 1.00 H new ATOM 0 HB2 MET A 29 -1.167 -6.710 4.033 1.00 1.00 H new ATOM 0 HB3 MET A 29 -1.702 -8.231 4.718 1.00 1.00 H new ATOM 0 HG2 MET A 29 0.780 -7.890 2.999 1.00 1.00 H new ATOM 0 HG3 MET A 29 0.778 -7.921 4.751 1.00 1.00 H new ATOM 0 HE1 MET A 29 0.073 -11.544 5.714 1.00 1.00 H new ATOM 0 HE2 MET A 29 0.335 -9.856 6.212 1.00 1.00 H new ATOM 0 HE3 MET A 29 -1.249 -10.360 5.576 1.00 1.00 H new ATOM 422 N ASN A 30 -3.809 -9.473 3.343 1.00 1.00 N ATOM 423 CA ASN A 30 -5.213 -9.790 3.655 1.00 1.00 C ATOM 424 C ASN A 30 -5.940 -8.639 4.366 1.00 1.00 C ATOM 425 O ASN A 30 -5.861 -8.499 5.586 1.00 1.00 O ATOM 426 CB ASN A 30 -5.291 -11.057 4.516 1.00 1.00 C ATOM 427 CG ASN A 30 -6.704 -11.602 4.630 1.00 1.00 C ATOM 428 OD1 ASN A 30 -7.393 -11.787 3.627 1.00 1.00 O ATOM 429 ND2 ASN A 30 -7.145 -11.863 5.857 1.00 1.00 N ATOM 0 H ASN A 30 -3.163 -10.245 3.510 1.00 1.00 H new ATOM 0 HA ASN A 30 -5.716 -9.953 2.702 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -4.644 -11.823 4.088 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -4.909 -10.838 5.513 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -8.087 -12.231 5.993 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -6.542 -11.695 6.662 1.00 1.00 H new ATOM 436 N ARG A 31 -6.647 -7.821 3.577 1.00 1.00 N ATOM 437 CA ARG A 31 -7.424 -6.683 4.092 1.00 1.00 C ATOM 438 C ARG A 31 -6.541 -5.499 4.532 1.00 1.00 C ATOM 439 O ARG A 31 -7.047 -4.534 5.106 1.00 1.00 O ATOM 440 CB ARG A 31 -8.328 -7.127 5.259 1.00 1.00 C ATOM 441 CG ARG A 31 -9.203 -8.335 4.936 1.00 1.00 C ATOM 442 CD ARG A 31 -10.182 -8.644 6.064 1.00 1.00 C ATOM 443 NE ARG A 31 -10.922 -9.887 5.830 1.00 1.00 N ATOM 444 CZ ARG A 31 -11.615 -10.537 6.770 1.00 1.00 C ATOM 445 NH1 ARG A 31 -11.678 -10.065 8.010 1.00 1.00 N ATOM 446 NH2 ARG A 31 -12.251 -11.661 6.465 1.00 1.00 N ATOM 0 H ARG A 31 -6.698 -7.928 2.564 1.00 1.00 H new ATOM 0 HA ARG A 31 -8.040 -6.332 3.264 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -7.703 -7.363 6.121 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -8.968 -6.293 5.548 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -9.756 -8.147 4.016 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -8.570 -9.204 4.756 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -9.637 -8.719 7.005 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -10.886 -7.818 6.168 1.00 1.00 H new ATOM 0 HE ARG A 31 -10.907 -10.281 4.889 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -11.195 -9.200 8.251 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -12.209 -10.568 8.721 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -12.211 -12.028 5.514 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -12.780 -12.158 7.181 1.00 1.00 H new ATOM 460 N LYS A 32 -5.230 -5.565 4.270 1.00 1.00 N ATOM 461 CA LYS A 32 -4.310 -4.481 4.658 1.00 1.00 C ATOM 462 C LYS A 32 -3.304 -4.144 3.544 1.00 1.00 C ATOM 463 O LYS A 32 -3.069 -4.950 2.642 1.00 1.00 O ATOM 464 CB LYS A 32 -3.577 -4.842 5.953 1.00 1.00 C ATOM 465 CG LYS A 32 -4.260 -4.310 7.208 1.00 1.00 C ATOM 466 CD LYS A 32 -4.179 -5.308 8.356 1.00 1.00 C ATOM 467 CE LYS A 32 -5.323 -5.123 9.343 1.00 1.00 C ATOM 468 NZ LYS A 32 -5.617 -6.369 10.107 1.00 1.00 N ATOM 0 H LYS A 32 -4.782 -6.349 3.795 1.00 1.00 H new ATOM 0 HA LYS A 32 -4.913 -3.589 4.826 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -3.496 -5.927 6.025 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -2.561 -4.449 5.908 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -3.793 -3.372 7.507 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -5.305 -4.090 6.989 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -4.201 -6.323 7.959 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -3.228 -5.190 8.875 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -5.073 -4.323 10.039 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -6.218 -4.810 8.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -6.402 -6.195 10.766 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -5.881 -7.127 9.446 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -4.773 -6.655 10.643 1.00 1.00 H new ATOM 482 N CYS A 33 -2.711 -2.941 3.619 1.00 1.00 N ATOM 483 CA CYS A 33 -1.738 -2.471 2.615 1.00 1.00 C ATOM 484 C CYS A 33 -0.314 -2.382 3.180 1.00 1.00 C ATOM 485 O CYS A 33 -0.105 -2.451 4.391 1.00 1.00 O ATOM 486 CB CYS A 33 -2.078 -1.053 2.169 1.00 1.00 C ATOM 487 SG CYS A 33 -1.543 -0.639 0.462 1.00 1.00 S ATOM 0 H CYS A 33 -2.889 -2.272 4.368 1.00 1.00 H new ATOM 0 HA CYS A 33 -1.787 -3.193 1.800 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -3.156 -0.912 2.242 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -1.617 -0.348 2.861 1.00 1.00 H new ATOM 492 N HIS A 34 0.654 -2.227 2.276 1.00 1.00 N ATOM 493 CA HIS A 34 2.053 -2.033 2.651 1.00 1.00 C ATOM 494 C HIS A 34 2.598 -0.768 1.959 1.00 1.00 C ATOM 495 O HIS A 34 2.560 -0.677 0.732 1.00 1.00 O ATOM 496 CB HIS A 34 2.891 -3.261 2.266 1.00 1.00 C ATOM 497 CG HIS A 34 3.645 -3.862 3.415 1.00 1.00 C ATOM 498 ND1 HIS A 34 4.621 -3.183 4.114 1.00 1.00 N ATOM 499 CD2 HIS A 34 3.564 -5.090 3.985 1.00 1.00 C ATOM 500 CE1 HIS A 34 5.108 -3.964 5.063 1.00 1.00 C ATOM 501 NE2 HIS A 34 4.484 -5.125 5.005 1.00 1.00 N ATOM 0 H HIS A 34 0.491 -2.232 1.269 1.00 1.00 H new ATOM 0 HA HIS A 34 2.119 -1.907 3.732 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.234 -4.018 1.838 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.599 -2.977 1.487 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.901 -5.890 3.692 1.00 1.00 H new ATOM 0 HE1 HIS A 34 5.884 -3.697 5.765 1.00 1.00 H new ATOM 0 HE2 HIS A 34 4.657 -5.921 5.619 1.00 1.00 H new ATOM 509 N CYS A 35 3.104 0.204 2.730 1.00 1.00 N ATOM 510 CA CYS A 35 3.656 1.433 2.135 1.00 1.00 C ATOM 511 C CYS A 35 5.066 1.720 2.680 1.00 1.00 C ATOM 512 O CYS A 35 5.327 1.503 3.864 1.00 1.00 O ATOM 513 CB CYS A 35 2.753 2.646 2.391 1.00 1.00 C ATOM 514 SG CYS A 35 1.468 2.901 1.109 1.00 1.00 S ATOM 0 H CYS A 35 3.144 0.168 3.749 1.00 1.00 H new ATOM 0 HA CYS A 35 3.711 1.267 1.059 1.00 1.00 H new ATOM 0 HB2 CYS A 35 2.267 2.527 3.359 1.00 1.00 H new ATOM 0 HB3 CYS A 35 3.372 3.541 2.453 1.00 1.00 H new ATOM 519 N THR A 36 5.975 2.206 1.824 1.00 1.00 N ATOM 520 CA THR A 36 7.345 2.515 2.267 1.00 1.00 C ATOM 521 C THR A 36 7.692 4.006 2.084 1.00 1.00 C ATOM 522 O THR A 36 7.921 4.456 0.961 1.00 1.00 O ATOM 523 CB THR A 36 8.380 1.668 1.498 1.00 1.00 C ATOM 524 OG1 THR A 36 8.029 0.280 1.571 1.00 1.00 O ATOM 525 CG2 THR A 36 9.780 1.868 2.064 1.00 1.00 C ATOM 0 H THR A 36 5.794 2.392 0.838 1.00 1.00 H new ATOM 0 HA THR A 36 7.385 2.274 3.329 1.00 1.00 H new ATOM 0 HB THR A 36 8.376 1.993 0.458 1.00 1.00 H new ATOM 0 HG1 THR A 36 8.690 -0.251 1.079 1.00 1.00 H new ATOM 0 HG21 THR A 36 10.489 1.259 1.503 1.00 1.00 H new ATOM 0 HG22 THR A 36 10.059 2.919 1.982 1.00 1.00 H new ATOM 0 HG23 THR A 36 9.795 1.569 3.112 1.00 1.00 H new ATOM 533 N PRO A 37 7.742 4.793 3.189 1.00 1.00 N ATOM 534 CA PRO A 37 8.070 6.226 3.134 1.00 1.00 C ATOM 535 C PRO A 37 9.569 6.505 2.935 1.00 1.00 C ATOM 536 O PRO A 37 10.412 5.683 3.299 1.00 1.00 O ATOM 537 CB PRO A 37 7.608 6.741 4.493 1.00 1.00 C ATOM 538 CG PRO A 37 7.778 5.578 5.406 1.00 1.00 C ATOM 539 CD PRO A 37 7.483 4.354 4.580 1.00 1.00 C ATOM 0 HA PRO A 37 7.592 6.711 2.283 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.205 7.593 4.819 1.00 1.00 H new ATOM 0 HB3 PRO A 37 6.570 7.073 4.461 1.00 1.00 H new ATOM 0 HG2 PRO A 37 8.791 5.542 5.808 1.00 1.00 H new ATOM 0 HG3 PRO A 37 7.100 5.647 6.256 1.00 1.00 H new ATOM 0 HD2 PRO A 37 8.124 3.518 4.861 1.00 1.00 H new ATOM 0 HD3 PRO A 37 6.452 4.023 4.709 1.00 1.00 H new ATOM 547 N LYS A 38 9.895 7.671 2.362 1.00 1.00 N ATOM 548 CA LYS A 38 11.296 8.059 2.129 1.00 1.00 C ATOM 549 C LYS A 38 12.121 7.958 3.414 1.00 1.00 C ATOM 550 O LYS A 38 12.017 8.874 4.257 1.00 1.00 O ATOM 551 CB LYS A 38 11.372 9.493 1.580 1.00 1.00 C ATOM 552 CG LYS A 38 12.794 9.995 1.351 1.00 1.00 C ATOM 553 CD LYS A 38 12.826 11.487 1.048 1.00 1.00 C ATOM 554 CE LYS A 38 14.248 11.985 0.824 1.00 1.00 C ATOM 555 NZ LYS A 38 14.448 13.361 1.358 1.00 1.00 N ATOM 556 OXT LYS A 38 12.867 6.967 3.562 1.00 1.00 O ATOM 0 H LYS A 38 9.211 8.361 2.051 1.00 1.00 H new ATOM 0 HA LYS A 38 11.712 7.368 1.395 1.00 1.00 H new ATOM 0 HB2 LYS A 38 10.825 9.540 0.638 1.00 1.00 H new ATOM 0 HB3 LYS A 38 10.868 10.164 2.275 1.00 1.00 H new ATOM 0 HG2 LYS A 38 13.398 9.791 2.235 1.00 1.00 H new ATOM 0 HG3 LYS A 38 13.244 9.446 0.524 1.00 1.00 H new ATOM 0 HD2 LYS A 38 12.225 11.692 0.162 1.00 1.00 H new ATOM 0 HD3 LYS A 38 12.374 12.036 1.874 1.00 1.00 H new ATOM 0 HE2 LYS A 38 14.950 11.304 1.304 1.00 1.00 H new ATOM 0 HE3 LYS A 38 14.472 11.974 -0.243 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 15.429 13.661 1.185 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 13.796 14.016 0.882 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 14.259 13.367 2.381 1.00 1.00 H new TER 570 LYS A 38