USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 252 hydrogens (7 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 NoAdj-H: A 1 CYS H1 : A 1 CYS N : A 34 GLY C :(NH2R) USER MOD NoAdj-H: A 1 CYS H2 : A 1 CYS N : A 34 GLY C :(NH2R) USER MOD NoAdj-H: A 4 HYP H : A 4 HYP N : A 3 ILE C :(H bumps) USER MOD Set 1.1: A 7 LYS NZ :NH3+ -176:sc= 1.13 (180deg=1.12) USER MOD Set 1.2: A 24 ASN : amide:sc= 0.694 K(o=1.8,f=0.87) USER MOD Single : A 1 CYS N :NH3+ 164:sc= 0.195 (180deg=0.0687) USER MOD Single : A 4 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0.846 K(o=0.85,f=-0.018) USER MOD Single : A 10 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.1) USER MOD Single : A 11 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.14) USER MOD Single : A 17 SER OG : rot -130:sc= -0.362 USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0259) USER MOD Single : A 21 ASN : amide:sc= -0.977! C(o=-0.98!,f=-10!) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= -0.0112 (180deg=-0.167) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -1.144 7.266 -2.900 1.00 0.00 N ATOM 2 CA CYS A 1 -1.764 5.994 -2.626 1.00 0.00 C ATOM 3 C CYS A 1 -1.993 5.843 -1.147 1.00 0.00 C ATOM 4 O CYS A 1 -1.770 6.795 -0.377 1.00 0.00 O ATOM 5 CB CYS A 1 -0.835 4.884 -3.102 1.00 0.00 C ATOM 6 SG CYS A 1 -0.435 4.951 -4.869 1.00 0.00 S ATOM 0 H3 CYS A 1 -0.745 7.258 -3.860 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.721 5.936 -3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 1 0.092 4.932 -2.530 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.296 3.921 -2.882 1.00 0.00 H new ATOM 11 N ARG A 2 -2.467 4.680 -0.740 1.00 0.00 N ATOM 12 CA ARG A 2 -2.599 4.383 0.682 1.00 0.00 C ATOM 13 C ARG A 2 -1.214 4.292 1.342 1.00 0.00 C ATOM 14 O ARG A 2 -0.178 4.229 0.648 1.00 0.00 O ATOM 15 CB ARG A 2 -3.397 3.096 0.957 1.00 0.00 C ATOM 16 CG ARG A 2 -4.942 3.209 1.068 1.00 0.00 C ATOM 17 CD ARG A 2 -5.678 3.528 -0.239 1.00 0.00 C ATOM 18 NE ARG A 2 -5.481 4.897 -0.718 1.00 0.00 N ATOM 19 CZ ARG A 2 -5.903 5.365 -1.900 1.00 0.00 C ATOM 20 NH1 ARG A 2 -6.548 4.567 -2.754 1.00 0.00 N ATOM 21 NH2 ARG A 2 -5.689 6.632 -2.210 1.00 0.00 N ATOM 0 H ARG A 2 -2.765 3.930 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.163 5.207 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.170 2.385 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.026 2.664 1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.330 2.270 1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.180 3.984 1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.344 2.833 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.744 3.355 -0.094 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.985 5.544 -0.105 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.723 3.593 -2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.866 4.932 -3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.206 7.244 -1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.006 6.998 -3.108 1.00 0.00 H new ATOM 35 N ILE A 3 -1.192 4.304 2.662 1.00 0.00 N ATOM 36 CA ILE A 3 0.052 4.256 3.424 1.00 0.00 C ATOM 37 C ILE A 3 0.735 2.877 3.309 1.00 0.00 C ATOM 38 O ILE A 3 0.077 1.874 3.060 1.00 0.00 O ATOM 39 CB ILE A 3 -0.167 4.612 4.923 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.144 3.629 5.590 1.00 0.00 C ATOM 41 CG2 ILE A 3 -0.644 6.056 5.066 1.00 0.00 C ATOM 42 CD1 ILE A 3 -1.362 3.884 7.061 1.00 0.00 C ATOM 0 H ILE A 3 -2.032 4.347 3.239 1.00 0.00 H new ATOM 0 HA ILE A 3 0.708 5.009 2.987 1.00 0.00 H new ATOM 0 HB ILE A 3 0.789 4.520 5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.104 3.682 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.768 2.614 5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.792 6.288 6.121 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.104 6.729 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.585 6.183 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.063 3.149 7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.412 3.801 7.589 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.769 4.886 7.200 1.00 0.00 H new HETATM 54 N HYP A 4 2.060 2.794 3.530 1.00 0.00 N HETATM 55 CA HYP A 4 2.808 1.526 3.407 1.00 0.00 C HETATM 56 C HYP A 4 2.497 0.529 4.538 1.00 0.00 C HETATM 57 O HYP A 4 2.926 -0.623 4.514 1.00 0.00 O HETATM 58 CB HYP A 4 4.282 1.971 3.475 1.00 0.00 C HETATM 59 CG HYP A 4 4.241 3.450 3.302 1.00 0.00 C HETATM 60 CD HYP A 4 2.956 3.897 3.901 1.00 0.00 C HETATM 61 OD1 HYP A 4 4.224 3.788 1.923 1.00 0.00 O HETATM 0 HD23 HYP A 4 2.623 4.851 3.492 1.00 0.00 H new HETATM 0 HD22 HYP A 4 3.028 4.021 4.982 1.00 0.00 H new HETATM 0 HG HYP A 4 5.111 3.915 3.765 1.00 0.00 H new HETATM 0 HD1 HYP A 4 4.195 4.763 1.825 1.00 0.00 H new HETATM 0 HB3 HYP A 4 4.735 1.697 4.428 1.00 0.00 H new HETATM 0 HB2 HYP A 4 4.875 1.497 2.692 1.00 0.00 H new HETATM 0 HA HYP A 4 2.545 0.996 2.492 1.00 0.00 H new ATOM 69 N ASN A 5 1.728 0.962 5.512 1.00 0.00 N ATOM 70 CA ASN A 5 1.383 0.110 6.653 1.00 0.00 C ATOM 71 C ASN A 5 0.147 -0.717 6.368 1.00 0.00 C ATOM 72 O ASN A 5 -0.303 -1.488 7.214 1.00 0.00 O ATOM 73 CB ASN A 5 1.186 0.928 7.939 1.00 0.00 C ATOM 74 CG ASN A 5 2.453 1.604 8.430 1.00 0.00 C ATOM 75 OD1 ASN A 5 2.772 2.719 8.022 1.00 0.00 O ATOM 76 ND2 ASN A 5 3.172 0.958 9.315 1.00 0.00 N ATOM 0 H ASN A 5 1.324 1.898 5.547 1.00 0.00 H new ATOM 0 HA ASN A 5 2.225 -0.564 6.808 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.424 1.687 7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.807 0.272 8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.024 1.379 9.686 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.880 0.034 9.633 1.00 0.00 H new ATOM 83 N GLN A 6 -0.389 -0.567 5.185 1.00 0.00 N ATOM 84 CA GLN A 6 -1.557 -1.312 4.770 1.00 0.00 C ATOM 85 C GLN A 6 -1.191 -2.745 4.427 1.00 0.00 C ATOM 86 O GLN A 6 -0.044 -3.042 4.059 1.00 0.00 O ATOM 87 CB GLN A 6 -2.170 -0.680 3.532 1.00 0.00 C ATOM 88 CG GLN A 6 -2.746 0.701 3.719 1.00 0.00 C ATOM 89 CD GLN A 6 -3.913 0.734 4.663 1.00 0.00 C ATOM 90 OE1 GLN A 6 -3.764 0.940 5.870 1.00 0.00 O ATOM 91 NE2 GLN A 6 -5.073 0.502 4.132 1.00 0.00 N ATOM 0 H GLN A 6 -0.030 0.075 4.478 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.266 -1.298 5.598 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.407 -0.633 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.959 -1.336 3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.966 1.365 4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.060 1.091 2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.151 0.337 3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.908 0.485 4.718 1.00 0.00 H new ATOM 100 N LYS A 7 -2.143 -3.619 4.575 1.00 0.00 N ATOM 101 CA LYS A 7 -2.013 -4.980 4.128 1.00 0.00 C ATOM 102 C LYS A 7 -2.617 -5.067 2.762 1.00 0.00 C ATOM 103 O LYS A 7 -3.809 -4.823 2.587 1.00 0.00 O ATOM 104 CB LYS A 7 -2.729 -5.933 5.071 1.00 0.00 C ATOM 105 CG LYS A 7 -2.028 -6.146 6.406 1.00 0.00 C ATOM 106 CD LYS A 7 -0.750 -6.983 6.267 1.00 0.00 C ATOM 107 CE LYS A 7 -1.069 -8.384 5.749 1.00 0.00 C ATOM 108 NZ LYS A 7 0.100 -9.287 5.731 1.00 0.00 N ATOM 0 H LYS A 7 -3.040 -3.408 5.013 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.961 -5.265 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.733 -5.552 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.841 -6.898 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.780 -5.178 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.710 -6.641 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.059 -6.488 5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.250 -7.053 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.848 -8.824 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.473 -8.306 4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.171 -10.197 5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.863 -8.856 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.432 -9.444 6.704 1.00 0.00 H new ATOM 122 N CYS A 8 -1.832 -5.379 1.807 1.00 0.00 N ATOM 123 CA CYS A 8 -2.310 -5.420 0.466 1.00 0.00 C ATOM 124 C CYS A 8 -2.171 -6.807 -0.086 1.00 0.00 C ATOM 125 O CYS A 8 -1.443 -7.632 0.458 1.00 0.00 O ATOM 126 CB CYS A 8 -1.578 -4.397 -0.403 1.00 0.00 C ATOM 127 SG CYS A 8 0.226 -4.591 -0.426 1.00 0.00 S ATOM 0 H CYS A 8 -0.846 -5.613 1.921 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.367 -5.155 0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.953 -4.471 -1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.819 -3.396 -0.046 1.00 0.00 H new ATOM 132 N PHE A 9 -2.890 -7.077 -1.115 1.00 0.00 N ATOM 133 CA PHE A 9 -2.856 -8.340 -1.763 1.00 0.00 C ATOM 134 C PHE A 9 -2.781 -8.064 -3.228 1.00 0.00 C ATOM 135 O PHE A 9 -3.202 -6.999 -3.664 1.00 0.00 O ATOM 136 CB PHE A 9 -4.119 -9.166 -1.432 1.00 0.00 C ATOM 137 CG PHE A 9 -4.228 -9.629 0.007 1.00 0.00 C ATOM 138 CD1 PHE A 9 -4.754 -8.802 0.996 1.00 0.00 C ATOM 139 CD2 PHE A 9 -3.811 -10.899 0.366 1.00 0.00 C ATOM 140 CE1 PHE A 9 -4.856 -9.234 2.298 1.00 0.00 C ATOM 141 CE2 PHE A 9 -3.915 -11.337 1.671 1.00 0.00 C ATOM 142 CZ PHE A 9 -4.439 -10.503 2.638 1.00 0.00 C ATOM 0 H PHE A 9 -3.534 -6.411 -1.541 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.000 -8.924 -1.426 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.998 -8.568 -1.672 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.142 -10.041 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.087 -7.808 0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.399 -11.556 -0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.263 -8.579 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.587 -12.331 1.935 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.522 -10.844 3.659 1.00 0.00 H new ATOM 152 N GLN A 10 -2.261 -8.987 -3.984 1.00 0.00 N ATOM 153 CA GLN A 10 -2.133 -8.823 -5.428 1.00 0.00 C ATOM 154 C GLN A 10 -3.482 -8.709 -6.101 1.00 0.00 C ATOM 155 O GLN A 10 -3.631 -8.053 -7.128 1.00 0.00 O ATOM 156 CB GLN A 10 -1.330 -9.968 -6.013 1.00 0.00 C ATOM 157 CG GLN A 10 0.123 -9.915 -5.627 1.00 0.00 C ATOM 158 CD GLN A 10 0.781 -8.656 -6.130 1.00 0.00 C ATOM 159 OE1 GLN A 10 0.403 -8.114 -7.183 1.00 0.00 O ATOM 160 NE2 GLN A 10 1.736 -8.173 -5.400 1.00 0.00 N ATOM 0 H GLN A 10 -1.910 -9.878 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.602 -7.889 -5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.756 -10.914 -5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.414 -9.947 -7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.215 -9.967 -4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.640 -10.784 -6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.014 -8.651 -4.543 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.210 -7.315 -5.682 1.00 0.00 H new ATOM 169 N HIS A 11 -4.456 -9.305 -5.484 1.00 0.00 N ATOM 170 CA HIS A 11 -5.818 -9.301 -5.967 1.00 0.00 C ATOM 171 C HIS A 11 -6.644 -8.228 -5.247 1.00 0.00 C ATOM 172 O HIS A 11 -7.867 -8.247 -5.282 1.00 0.00 O ATOM 173 CB HIS A 11 -6.438 -10.705 -5.772 1.00 0.00 C ATOM 174 CG HIS A 11 -6.385 -11.235 -4.357 1.00 0.00 C ATOM 175 ND1 HIS A 11 -5.414 -12.101 -3.896 1.00 0.00 N ATOM 176 CD2 HIS A 11 -7.207 -11.009 -3.309 1.00 0.00 C ATOM 177 CE1 HIS A 11 -5.667 -12.369 -2.612 1.00 0.00 C ATOM 178 NE2 HIS A 11 -6.750 -11.727 -2.201 1.00 0.00 N ATOM 0 H HIS A 11 -4.332 -9.820 -4.613 1.00 0.00 H new ATOM 0 HA HIS A 11 -5.822 -9.060 -7.030 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -7.479 -10.674 -6.094 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -5.923 -11.408 -6.427 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -8.080 -10.373 -3.325 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -5.069 -13.021 -1.993 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -7.164 -11.752 -1.269 1.00 0.00 H new ATOM 186 N LEU A 12 -5.967 -7.300 -4.597 1.00 0.00 N ATOM 187 CA LEU A 12 -6.624 -6.249 -3.863 1.00 0.00 C ATOM 188 C LEU A 12 -5.939 -4.916 -4.132 1.00 0.00 C ATOM 189 O LEU A 12 -4.814 -4.673 -3.670 1.00 0.00 O ATOM 190 CB LEU A 12 -6.574 -6.545 -2.365 1.00 0.00 C ATOM 191 CG LEU A 12 -7.242 -5.515 -1.462 1.00 0.00 C ATOM 192 CD1 LEU A 12 -8.751 -5.518 -1.647 1.00 0.00 C ATOM 193 CD2 LEU A 12 -6.862 -5.739 -0.013 1.00 0.00 C ATOM 0 H LEU A 12 -4.948 -7.258 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.663 -6.196 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.043 -7.513 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.530 -6.638 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.880 -4.529 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.200 -4.773 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.991 -5.279 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.146 -6.504 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.351 -4.991 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.180 -6.735 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.781 -5.652 0.097 1.00 0.00 H new ATOM 205 N ASP A 13 -6.585 -4.058 -4.870 1.00 0.00 N ATOM 206 CA ASP A 13 -6.018 -2.757 -5.157 1.00 0.00 C ATOM 207 C ASP A 13 -6.271 -1.771 -4.016 1.00 0.00 C ATOM 208 O ASP A 13 -7.172 -0.934 -4.049 1.00 0.00 O ATOM 209 CB ASP A 13 -6.427 -2.190 -6.550 1.00 0.00 C ATOM 210 CG ASP A 13 -7.900 -1.839 -6.705 1.00 0.00 C ATOM 211 OD1 ASP A 13 -8.762 -2.754 -6.684 1.00 0.00 O ATOM 212 OD2 ASP A 13 -8.224 -0.644 -6.864 1.00 0.00 O ATOM 0 H ASP A 13 -7.501 -4.228 -5.285 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.940 -2.902 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.835 -1.296 -6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.163 -2.922 -7.313 1.00 0.00 H new ATOM 217 N ASP A 14 -5.542 -1.970 -2.946 1.00 0.00 N ATOM 218 CA ASP A 14 -5.586 -1.042 -1.823 1.00 0.00 C ATOM 219 C ASP A 14 -4.440 -0.076 -2.003 1.00 0.00 C ATOM 220 O ASP A 14 -4.504 1.077 -1.638 1.00 0.00 O ATOM 221 CB ASP A 14 -5.492 -1.778 -0.476 1.00 0.00 C ATOM 222 CG ASP A 14 -5.768 -0.871 0.723 1.00 0.00 C ATOM 223 OD1 ASP A 14 -6.907 -0.358 0.846 1.00 0.00 O ATOM 224 OD2 ASP A 14 -4.903 -0.736 1.596 1.00 0.00 O ATOM 0 H ASP A 14 -4.910 -2.761 -2.821 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.537 -0.510 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.203 -2.605 -0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.497 -2.212 -0.374 1.00 0.00 H new ATOM 229 N CYS A 15 -3.410 -0.570 -2.640 1.00 0.00 N ATOM 230 CA CYS A 15 -2.265 0.215 -3.026 1.00 0.00 C ATOM 231 C CYS A 15 -2.324 0.330 -4.535 1.00 0.00 C ATOM 232 O CYS A 15 -2.575 -0.682 -5.201 1.00 0.00 O ATOM 233 CB CYS A 15 -0.998 -0.491 -2.583 1.00 0.00 C ATOM 234 SG CYS A 15 -1.022 -0.903 -0.827 1.00 0.00 S ATOM 0 H CYS A 15 -3.342 -1.551 -2.911 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.267 1.203 -2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.870 -1.403 -3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.138 0.145 -2.793 1.00 0.00 H new ATOM 239 N CYS A 16 -2.092 1.530 -5.072 1.00 0.00 N ATOM 240 CA CYS A 16 -2.325 1.828 -6.494 1.00 0.00 C ATOM 241 C CYS A 16 -1.685 0.816 -7.431 1.00 0.00 C ATOM 242 O CYS A 16 -2.333 0.281 -8.320 1.00 0.00 O ATOM 243 CB CYS A 16 -1.765 3.194 -6.867 1.00 0.00 C ATOM 244 SG CYS A 16 -2.204 4.540 -5.751 1.00 0.00 S ATOM 0 H CYS A 16 -1.738 2.324 -4.538 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.408 1.795 -6.614 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.678 3.122 -6.913 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.110 3.448 -7.869 1.00 0.00 H new ATOM 249 N SER A 17 -0.438 0.503 -7.181 1.00 0.00 N ATOM 250 CA SER A 17 0.317 -0.334 -8.075 1.00 0.00 C ATOM 251 C SER A 17 0.271 -1.807 -7.654 1.00 0.00 C ATOM 252 O SER A 17 0.890 -2.650 -8.285 1.00 0.00 O ATOM 253 CB SER A 17 1.748 0.164 -8.074 1.00 0.00 C ATOM 254 OG SER A 17 1.764 1.581 -8.126 1.00 0.00 O ATOM 0 H SER A 17 0.077 0.819 -6.359 1.00 0.00 H new ATOM 0 HA SER A 17 -0.117 -0.278 -9.073 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.262 -0.182 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.286 -0.246 -8.928 1.00 0.00 H new ATOM 0 HG SER A 17 2.372 1.875 -8.836 1.00 0.00 H new ATOM 260 N ARG A 18 -0.484 -2.102 -6.584 1.00 0.00 N ATOM 261 CA ARG A 18 -0.570 -3.462 -5.997 1.00 0.00 C ATOM 262 C ARG A 18 0.827 -3.998 -5.643 1.00 0.00 C ATOM 263 O ARG A 18 1.079 -5.202 -5.664 1.00 0.00 O ATOM 264 CB ARG A 18 -1.333 -4.475 -6.905 1.00 0.00 C ATOM 265 CG ARG A 18 -2.814 -4.153 -7.153 1.00 0.00 C ATOM 266 CD ARG A 18 -3.011 -3.058 -8.198 1.00 0.00 C ATOM 267 NE ARG A 18 -2.558 -3.486 -9.532 1.00 0.00 N ATOM 268 CZ ARG A 18 -2.409 -2.680 -10.605 1.00 0.00 C ATOM 269 NH1 ARG A 18 -2.530 -1.365 -10.488 1.00 0.00 N ATOM 270 NH2 ARG A 18 -2.100 -3.199 -11.782 1.00 0.00 N ATOM 0 H ARG A 18 -1.054 -1.410 -6.097 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.154 -3.362 -5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.824 -4.528 -7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.265 -5.465 -6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.329 -5.057 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.276 -3.843 -6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.065 -2.784 -8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.462 -2.166 -7.897 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.338 -4.474 -9.656 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.738 -0.951 -9.579 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.415 -0.767 -11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.975 -4.207 -11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.987 -2.591 -12.593 1.00 0.00 H new ATOM 284 N LYS A 19 1.717 -3.084 -5.308 1.00 0.00 N ATOM 285 CA LYS A 19 3.048 -3.440 -4.918 1.00 0.00 C ATOM 286 C LYS A 19 3.068 -3.769 -3.468 1.00 0.00 C ATOM 287 O LYS A 19 2.785 -2.923 -2.608 1.00 0.00 O ATOM 288 CB LYS A 19 4.054 -2.347 -5.258 1.00 0.00 C ATOM 289 CG LYS A 19 4.321 -2.223 -6.743 1.00 0.00 C ATOM 290 CD LYS A 19 5.177 -0.996 -7.088 1.00 0.00 C ATOM 291 CE LYS A 19 6.561 -1.037 -6.432 1.00 0.00 C ATOM 292 NZ LYS A 19 7.377 -2.175 -6.896 1.00 0.00 N ATOM 0 H LYS A 19 1.530 -2.081 -5.302 1.00 0.00 H new ATOM 0 HA LYS A 19 3.351 -4.320 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.686 -1.393 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.992 -2.553 -4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.825 -3.123 -7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.372 -2.161 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.294 -0.932 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.655 -0.093 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.087 -0.107 -6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.444 -1.096 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.336 -2.099 -6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.942 -3.065 -6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.429 -2.164 -7.935 1.00 0.00 H new ATOM 306 N CYS A 20 3.376 -4.981 -3.209 1.00 0.00 N ATOM 307 CA CYS A 20 3.387 -5.499 -1.876 1.00 0.00 C ATOM 308 C CYS A 20 4.707 -6.198 -1.625 1.00 0.00 C ATOM 309 O CYS A 20 5.299 -6.774 -2.555 1.00 0.00 O ATOM 310 CB CYS A 20 2.222 -6.475 -1.692 1.00 0.00 C ATOM 311 SG CYS A 20 0.578 -5.762 -2.042 1.00 0.00 S ATOM 0 H CYS A 20 3.634 -5.663 -3.923 1.00 0.00 H new ATOM 0 HA CYS A 20 3.273 -4.684 -1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.378 -7.335 -2.344 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.233 -6.846 -0.667 1.00 0.00 H new ATOM 316 N ASN A 21 5.195 -6.117 -0.409 1.00 0.00 N ATOM 317 CA ASN A 21 6.442 -6.773 -0.039 1.00 0.00 C ATOM 318 C ASN A 21 6.186 -8.248 0.316 1.00 0.00 C ATOM 319 O ASN A 21 5.062 -8.726 0.167 1.00 0.00 O ATOM 320 CB ASN A 21 7.183 -6.003 1.096 1.00 0.00 C ATOM 321 CG ASN A 21 6.453 -5.912 2.435 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.686 -6.795 2.823 1.00 0.00 O ATOM 323 ND2 ASN A 21 6.695 -4.845 3.149 1.00 0.00 N ATOM 0 H ASN A 21 4.749 -5.602 0.350 1.00 0.00 H new ATOM 0 HA ASN A 21 7.110 -6.755 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.147 -6.483 1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.387 -4.991 0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.244 -4.725 4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.335 -4.132 2.800 1.00 0.00 H new ATOM 330 N ARG A 22 7.212 -8.965 0.787 1.00 0.00 N ATOM 331 CA ARG A 22 7.088 -10.409 1.102 1.00 0.00 C ATOM 332 C ARG A 22 6.080 -10.715 2.231 1.00 0.00 C ATOM 333 O ARG A 22 5.653 -11.859 2.399 1.00 0.00 O ATOM 334 CB ARG A 22 8.446 -11.023 1.441 1.00 0.00 C ATOM 335 CG ARG A 22 9.128 -10.398 2.640 1.00 0.00 C ATOM 336 CD ARG A 22 10.360 -11.176 3.051 1.00 0.00 C ATOM 337 NE ARG A 22 11.379 -11.248 1.991 1.00 0.00 N ATOM 338 CZ ARG A 22 12.656 -11.611 2.181 1.00 0.00 C ATOM 339 NH1 ARG A 22 13.081 -11.944 3.393 1.00 0.00 N ATOM 340 NH2 ARG A 22 13.492 -11.645 1.150 1.00 0.00 N ATOM 0 H ARG A 22 8.140 -8.578 0.961 1.00 0.00 H new ATOM 0 HA ARG A 22 6.696 -10.867 0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.314 -12.089 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.101 -10.929 0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.408 -9.371 2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.429 -10.355 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.797 -10.712 3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.066 -12.187 3.333 1.00 0.00 H new ATOM 0 HE ARG A 22 11.093 -11.004 1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.436 -11.924 4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.053 -12.220 3.535 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.162 -11.396 0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.464 -11.921 1.290 1.00 0.00 H new ATOM 354 N PHE A 23 5.714 -9.703 2.992 1.00 0.00 N ATOM 355 CA PHE A 23 4.754 -9.850 4.083 1.00 0.00 C ATOM 356 C PHE A 23 3.413 -9.306 3.623 1.00 0.00 C ATOM 357 O PHE A 23 2.495 -9.089 4.419 1.00 0.00 O ATOM 358 CB PHE A 23 5.233 -9.059 5.305 1.00 0.00 C ATOM 359 CG PHE A 23 6.591 -9.463 5.767 1.00 0.00 C ATOM 360 CD1 PHE A 23 6.792 -10.701 6.331 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.673 -8.615 5.613 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.039 -11.095 6.740 1.00 0.00 C ATOM 363 CE2 PHE A 23 8.930 -9.003 6.019 1.00 0.00 C ATOM 364 CZ PHE A 23 9.114 -10.247 6.585 1.00 0.00 C ATOM 0 H PHE A 23 6.070 -8.754 2.877 1.00 0.00 H new ATOM 0 HA PHE A 23 4.661 -10.901 4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.239 -7.996 5.063 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.523 -9.196 6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.955 -11.372 6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.530 -7.640 5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.179 -12.070 7.184 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.770 -8.335 5.895 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.098 -10.556 6.906 1.00 0.00 H new ATOM 374 N ASN A 24 3.339 -9.075 2.321 1.00 0.00 N ATOM 375 CA ASN A 24 2.209 -8.472 1.622 1.00 0.00 C ATOM 376 C ASN A 24 1.756 -7.168 2.280 1.00 0.00 C ATOM 377 O ASN A 24 0.572 -6.840 2.373 1.00 0.00 O ATOM 378 CB ASN A 24 1.060 -9.472 1.253 1.00 0.00 C ATOM 379 CG ASN A 24 0.173 -9.962 2.387 1.00 0.00 C ATOM 380 OD1 ASN A 24 0.494 -10.918 3.081 1.00 0.00 O ATOM 381 ND2 ASN A 24 -0.984 -9.382 2.522 1.00 0.00 N ATOM 0 H ASN A 24 4.103 -9.314 1.689 1.00 0.00 H new ATOM 0 HA ASN A 24 2.581 -8.182 0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.423 -8.995 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.510 -10.343 0.776 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.647 -9.722 3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.228 -8.587 1.931 1.00 0.00 H new ATOM 388 N LYS A 25 2.737 -6.433 2.758 1.00 0.00 N ATOM 389 CA LYS A 25 2.518 -5.119 3.261 1.00 0.00 C ATOM 390 C LYS A 25 2.714 -4.172 2.120 1.00 0.00 C ATOM 391 O LYS A 25 3.457 -4.492 1.172 1.00 0.00 O ATOM 392 CB LYS A 25 3.467 -4.785 4.381 1.00 0.00 C ATOM 393 CG LYS A 25 3.264 -5.597 5.630 1.00 0.00 C ATOM 394 CD LYS A 25 4.219 -5.126 6.683 1.00 0.00 C ATOM 395 CE LYS A 25 4.065 -5.882 7.989 1.00 0.00 C ATOM 396 NZ LYS A 25 2.733 -5.691 8.585 1.00 0.00 N ATOM 0 H LYS A 25 3.708 -6.743 2.803 1.00 0.00 H new ATOM 0 HA LYS A 25 1.511 -5.044 3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.489 -4.930 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.361 -3.729 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.237 -5.495 5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.426 -6.654 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.240 -5.240 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.061 -4.062 6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.235 -6.944 7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.828 -5.549 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.735 -6.050 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.496 -4.678 8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.025 -6.210 8.027 1.00 0.00 H new ATOM 410 N CYS A 26 2.090 -3.050 2.194 1.00 0.00 N ATOM 411 CA CYS A 26 2.072 -2.118 1.102 1.00 0.00 C ATOM 412 C CYS A 26 3.417 -1.439 0.911 1.00 0.00 C ATOM 413 O CYS A 26 4.038 -0.981 1.873 1.00 0.00 O ATOM 414 CB CYS A 26 0.986 -1.084 1.343 1.00 0.00 C ATOM 415 SG CYS A 26 0.629 -0.020 -0.077 1.00 0.00 S ATOM 0 H CYS A 26 1.571 -2.742 3.016 1.00 0.00 H new ATOM 0 HA CYS A 26 1.861 -2.670 0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.070 -1.599 1.633 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.280 -0.457 2.185 1.00 0.00 H new ATOM 420 N VAL A 27 3.893 -1.424 -0.306 1.00 0.00 N ATOM 421 CA VAL A 27 5.094 -0.709 -0.629 1.00 0.00 C ATOM 422 C VAL A 27 4.832 0.279 -1.754 1.00 0.00 C ATOM 423 O VAL A 27 4.486 -0.095 -2.886 1.00 0.00 O ATOM 424 CB VAL A 27 6.342 -1.617 -0.902 1.00 0.00 C ATOM 425 CG1 VAL A 27 6.790 -2.297 0.373 1.00 0.00 C ATOM 426 CG2 VAL A 27 6.080 -2.666 -1.966 1.00 0.00 C ATOM 0 H VAL A 27 3.461 -1.904 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 27 5.371 -0.153 0.267 1.00 0.00 H new ATOM 0 HB VAL A 27 7.129 -0.960 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.657 -2.924 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.056 -1.543 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.980 -2.915 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.978 -3.266 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.261 -3.311 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.813 -2.176 -2.902 1.00 0.00 H new ATOM 436 N LEU A 28 4.941 1.540 -1.417 1.00 0.00 N ATOM 437 CA LEU A 28 4.668 2.620 -2.335 1.00 0.00 C ATOM 438 C LEU A 28 5.782 2.685 -3.390 1.00 0.00 C ATOM 439 O LEU A 28 6.974 2.667 -3.022 1.00 0.00 O ATOM 440 CB LEU A 28 4.608 3.938 -1.546 1.00 0.00 C ATOM 441 CG LEU A 28 4.113 5.177 -2.290 1.00 0.00 C ATOM 442 CD1 LEU A 28 2.638 5.055 -2.608 1.00 0.00 C ATOM 443 CD2 LEU A 28 4.361 6.417 -1.465 1.00 0.00 C ATOM 0 H LEU A 28 5.225 1.850 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 28 3.715 2.455 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.964 3.784 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.607 4.149 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 28 4.666 5.257 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.305 5.947 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.472 4.178 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.073 4.951 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.003 7.292 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.830 6.335 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.429 6.520 -1.275 1.00 0.00 H new ATOM 455 N PRO A 29 5.420 2.734 -4.707 1.00 0.00 N ATOM 456 CA PRO A 29 6.389 2.802 -5.810 1.00 0.00 C ATOM 457 C PRO A 29 7.375 3.949 -5.640 1.00 0.00 C ATOM 458 O PRO A 29 6.992 5.129 -5.666 1.00 0.00 O ATOM 459 CB PRO A 29 5.521 3.016 -7.063 1.00 0.00 C ATOM 460 CG PRO A 29 4.173 3.387 -6.549 1.00 0.00 C ATOM 461 CD PRO A 29 4.043 2.716 -5.220 1.00 0.00 C ATOM 0 HA PRO A 29 7.001 1.902 -5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.931 3.803 -7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.475 2.111 -7.669 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.076 4.468 -6.452 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.390 3.057 -7.232 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.360 3.252 -4.562 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.661 1.700 -5.316 1.00 0.00 H new ATOM 469 N GLU A 30 8.624 3.576 -5.360 1.00 0.00 N ATOM 470 CA GLU A 30 9.747 4.499 -5.159 1.00 0.00 C ATOM 471 C GLU A 30 9.507 5.461 -3.989 1.00 0.00 C ATOM 472 O GLU A 30 10.203 6.470 -3.847 1.00 0.00 O ATOM 473 CB GLU A 30 10.095 5.253 -6.443 1.00 0.00 C ATOM 474 CG GLU A 30 10.578 4.356 -7.563 1.00 0.00 C ATOM 475 CD GLU A 30 11.047 5.133 -8.756 1.00 0.00 C ATOM 476 OE1 GLU A 30 12.251 5.473 -8.827 1.00 0.00 O ATOM 477 OE2 GLU A 30 10.233 5.414 -9.656 1.00 0.00 O ATOM 0 H GLU A 30 8.892 2.597 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 30 10.610 3.888 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.216 5.801 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.866 5.992 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.392 3.730 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.771 3.687 -7.863 1.00 0.00 H new ATOM 484 N THR A 31 8.555 5.094 -3.121 1.00 0.00 N ATOM 485 CA THR A 31 8.161 5.894 -1.976 1.00 0.00 C ATOM 486 C THR A 31 7.677 7.294 -2.460 1.00 0.00 C ATOM 487 O THR A 31 7.938 8.332 -1.838 1.00 0.00 O ATOM 488 CB THR A 31 9.346 6.009 -0.976 1.00 0.00 C ATOM 489 OG1 THR A 31 9.955 4.709 -0.835 1.00 0.00 O ATOM 490 CG2 THR A 31 8.859 6.448 0.396 1.00 0.00 C ATOM 0 H THR A 31 8.036 4.220 -3.204 1.00 0.00 H new ATOM 0 HA THR A 31 7.334 5.412 -1.454 1.00 0.00 H new ATOM 0 HB THR A 31 10.054 6.745 -1.358 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.706 4.766 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.707 6.521 1.077 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.374 7.421 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.147 5.718 0.780 1.00 0.00 H new ATOM 498 N GLY A 32 6.975 7.300 -3.579 1.00 0.00 N ATOM 499 CA GLY A 32 6.443 8.524 -4.107 1.00 0.00 C ATOM 500 C GLY A 32 5.180 8.290 -4.896 1.00 0.00 C ATOM 501 O GLY A 32 5.243 7.964 -6.080 1.00 0.00 O ATOM 0 H GLY A 32 6.765 6.469 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.238 9.214 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.188 8.999 -4.745 1.00 0.00 H new ATOM 505 N GLY A 33 4.041 8.436 -4.264 1.00 0.00 N ATOM 506 CA GLY A 33 2.791 8.220 -4.959 1.00 0.00 C ATOM 507 C GLY A 33 1.595 8.590 -4.118 1.00 0.00 C ATOM 508 O GLY A 33 1.671 8.572 -2.885 1.00 0.00 O ATOM 0 H GLY A 33 3.951 8.700 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.782 8.808 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.717 7.172 -5.251 1.00 0.00 H new ATOM 512 N GLY A 34 0.503 8.935 -4.772 1.00 0.00 N ATOM 513 CA GLY A 34 -0.722 9.279 -4.084 1.00 0.00 C ATOM 514 C GLY A 34 -1.556 8.048 -3.853 1.00 0.00 C ATOM 515 O GLY A 34 -2.556 7.811 -4.539 1.00 0.00 O ATOM 0 H GLY A 34 0.442 8.984 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.490 9.754 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.286 10.003 -4.672 1.00 0.00 H new TER 519 GLY A 34