USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=6 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 Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 6 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.42) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc=-0.00471 F(o=-0.96,f=-0.0047) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -41:sc= 0.294 USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0211 (180deg=-0.172) USER MOD Single : A 21 ASN : amide:sc= -0.296 K(o=-0.3,f=-7.9!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 1.42 (180deg=1.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -1.385 8.423 -1.658 1.00 0.00 N ATOM 2 CA CYS A 1 -2.404 7.429 -1.832 1.00 0.00 C ATOM 3 C CYS A 1 -2.623 6.718 -0.500 1.00 0.00 C ATOM 4 O CYS A 1 -2.515 7.358 0.565 1.00 0.00 O ATOM 5 CB CYS A 1 -1.934 6.462 -2.925 1.00 0.00 C ATOM 6 SG CYS A 1 -0.367 5.610 -2.582 1.00 0.00 S ATOM 0 H3 CYS A 1 -1.224 8.917 -2.559 1.00 0.00 H new ATOM 0 HA CYS A 1 -3.354 7.868 -2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -2.710 5.713 -3.083 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.831 7.016 -3.858 1.00 0.00 H new ATOM 11 N ARG A 2 -2.954 5.424 -0.532 1.00 0.00 N ATOM 12 CA ARG A 2 -3.076 4.648 0.690 1.00 0.00 C ATOM 13 C ARG A 2 -1.715 4.606 1.376 1.00 0.00 C ATOM 14 O ARG A 2 -0.674 4.690 0.702 1.00 0.00 O ATOM 15 CB ARG A 2 -3.616 3.210 0.440 1.00 0.00 C ATOM 16 CG ARG A 2 -5.103 3.132 0.059 1.00 0.00 C ATOM 17 CD ARG A 2 -5.396 3.504 -1.395 1.00 0.00 C ATOM 18 NE ARG A 2 -5.035 2.429 -2.341 1.00 0.00 N ATOM 19 CZ ARG A 2 -5.191 2.487 -3.678 1.00 0.00 C ATOM 20 NH1 ARG A 2 -5.620 3.599 -4.261 1.00 0.00 N ATOM 21 NH2 ARG A 2 -4.936 1.418 -4.419 1.00 0.00 N ATOM 0 H ARG A 2 -3.140 4.901 -1.388 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.810 5.134 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.028 2.750 -0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.455 2.616 1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.461 2.119 0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.670 3.794 0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.456 3.735 -1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.846 4.409 -1.652 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.636 1.575 -1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.835 4.421 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.735 3.632 -5.274 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.622 0.554 -3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.053 1.459 -5.431 1.00 0.00 H new ATOM 35 N ILE A 3 -1.699 4.531 2.685 1.00 0.00 N ATOM 36 CA ILE A 3 -0.438 4.549 3.404 1.00 0.00 C ATOM 37 C ILE A 3 0.382 3.288 3.104 1.00 0.00 C ATOM 38 O ILE A 3 -0.184 2.203 2.888 1.00 0.00 O ATOM 39 CB ILE A 3 -0.605 4.709 4.943 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.388 3.535 5.547 1.00 0.00 C ATOM 41 CG2 ILE A 3 -1.276 6.036 5.268 1.00 0.00 C ATOM 42 CD1 ILE A 3 -1.486 3.570 7.056 1.00 0.00 C ATOM 0 H ILE A 3 -2.530 4.458 3.272 1.00 0.00 H new ATOM 0 HA ILE A 3 0.094 5.430 3.045 1.00 0.00 H new ATOM 0 HB ILE A 3 0.388 4.704 5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.394 3.529 5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.912 2.602 5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.386 6.133 6.348 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.664 6.855 4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.259 6.071 4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.054 2.707 7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.485 3.543 7.486 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.990 4.485 7.367 1.00 0.00 H new HETATM 54 N HYP A 4 1.720 3.382 3.112 1.00 0.00 N HETATM 55 CA HYP A 4 2.615 2.241 2.838 1.00 0.00 C HETATM 56 C HYP A 4 2.719 1.304 4.047 1.00 0.00 C HETATM 57 O HYP A 4 3.780 0.774 4.343 1.00 0.00 O HETATM 58 CB HYP A 4 3.974 2.926 2.572 1.00 0.00 C HETATM 59 CG HYP A 4 3.653 4.379 2.483 1.00 0.00 C HETATM 60 CD HYP A 4 2.507 4.585 3.394 1.00 0.00 C HETATM 61 OD1 HYP A 4 3.205 4.704 1.180 1.00 0.00 O HETATM 0 HD23 HYP A 4 1.959 5.500 3.170 1.00 0.00 H new HETATM 0 HD22 HYP A 4 2.813 4.644 4.438 1.00 0.00 H new HETATM 0 HG HYP A 4 4.527 4.983 2.727 1.00 0.00 H new HETATM 0 HD1 HYP A 4 2.996 5.660 1.135 1.00 0.00 H new HETATM 0 HB3 HYP A 4 4.683 2.725 3.375 1.00 0.00 H new HETATM 0 HB2 HYP A 4 4.427 2.563 1.649 1.00 0.00 H new HETATM 0 HA HYP A 4 2.265 1.619 2.014 1.00 0.00 H new ATOM 69 N ASN A 5 1.586 1.105 4.711 1.00 0.00 N ATOM 70 CA ASN A 5 1.437 0.222 5.879 1.00 0.00 C ATOM 71 C ASN A 5 0.124 -0.526 5.790 1.00 0.00 C ATOM 72 O ASN A 5 -0.277 -1.206 6.731 1.00 0.00 O ATOM 73 CB ASN A 5 1.507 1.005 7.207 1.00 0.00 C ATOM 74 CG ASN A 5 2.901 1.501 7.578 1.00 0.00 C ATOM 75 OD1 ASN A 5 3.913 0.874 7.260 1.00 0.00 O ATOM 76 ND2 ASN A 5 2.963 2.613 8.261 1.00 0.00 N ATOM 0 H ASN A 5 0.714 1.565 4.449 1.00 0.00 H new ATOM 0 HA ASN A 5 2.267 -0.484 5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.835 1.861 7.145 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.137 0.367 8.010 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.868 2.986 8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.106 3.108 8.508 1.00 0.00 H new ATOM 83 N GLN A 6 -0.557 -0.396 4.660 1.00 0.00 N ATOM 84 CA GLN A 6 -1.774 -1.157 4.434 1.00 0.00 C ATOM 85 C GLN A 6 -1.375 -2.527 3.967 1.00 0.00 C ATOM 86 O GLN A 6 -0.300 -2.684 3.360 1.00 0.00 O ATOM 87 CB GLN A 6 -2.687 -0.484 3.394 1.00 0.00 C ATOM 88 CG GLN A 6 -3.244 0.860 3.832 1.00 0.00 C ATOM 89 CD GLN A 6 -4.075 0.764 5.100 1.00 0.00 C ATOM 90 OE1 GLN A 6 -3.556 0.877 6.204 1.00 0.00 O ATOM 91 NE2 GLN A 6 -5.356 0.563 4.956 1.00 0.00 N ATOM 0 H GLN A 6 -0.290 0.223 3.894 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.343 -1.211 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.127 -0.349 2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.518 -1.153 3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.420 1.555 3.994 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.857 1.273 3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.756 0.473 4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.957 0.496 5.777 1.00 0.00 H new ATOM 100 N LYS A 7 -2.180 -3.514 4.249 1.00 0.00 N ATOM 101 CA LYS A 7 -1.834 -4.843 3.868 1.00 0.00 C ATOM 102 C LYS A 7 -2.335 -5.198 2.510 1.00 0.00 C ATOM 103 O LYS A 7 -3.192 -4.516 1.936 1.00 0.00 O ATOM 104 CB LYS A 7 -2.255 -5.884 4.883 1.00 0.00 C ATOM 105 CG LYS A 7 -1.498 -5.802 6.183 1.00 0.00 C ATOM 106 CD LYS A 7 -1.693 -7.052 7.012 1.00 0.00 C ATOM 107 CE LYS A 7 -1.002 -8.272 6.396 1.00 0.00 C ATOM 108 NZ LYS A 7 -1.067 -9.455 7.282 1.00 0.00 N ATOM 0 H LYS A 7 -3.071 -3.419 4.737 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.745 -4.851 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.320 -5.772 5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.115 -6.876 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.437 -5.660 5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.834 -4.932 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.302 -6.884 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.759 -7.254 7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.470 -8.509 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.041 -8.031 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.587 -10.257 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.598 -9.239 8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.062 -9.702 7.459 1.00 0.00 H new ATOM 122 N CYS A 8 -1.841 -6.276 2.026 1.00 0.00 N ATOM 123 CA CYS A 8 -2.150 -6.743 0.713 1.00 0.00 C ATOM 124 C CYS A 8 -1.979 -8.230 0.639 1.00 0.00 C ATOM 125 O CYS A 8 -1.134 -8.808 1.326 1.00 0.00 O ATOM 126 CB CYS A 8 -1.253 -6.049 -0.299 1.00 0.00 C ATOM 127 SG CYS A 8 0.484 -5.951 0.232 1.00 0.00 S ATOM 0 H CYS A 8 -1.195 -6.877 2.538 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.189 -6.508 0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.307 -6.582 -1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.629 -5.042 -0.478 1.00 0.00 H new ATOM 132 N PHE A 9 -2.778 -8.843 -0.170 1.00 0.00 N ATOM 133 CA PHE A 9 -2.759 -10.265 -0.353 1.00 0.00 C ATOM 134 C PHE A 9 -2.840 -10.507 -1.838 1.00 0.00 C ATOM 135 O PHE A 9 -2.992 -9.547 -2.591 1.00 0.00 O ATOM 136 CB PHE A 9 -3.964 -10.911 0.354 1.00 0.00 C ATOM 137 CG PHE A 9 -4.015 -10.709 1.853 1.00 0.00 C ATOM 138 CD1 PHE A 9 -3.407 -11.610 2.701 1.00 0.00 C ATOM 139 CD2 PHE A 9 -4.682 -9.625 2.407 1.00 0.00 C ATOM 140 CE1 PHE A 9 -3.460 -11.440 4.068 1.00 0.00 C ATOM 141 CE2 PHE A 9 -4.735 -9.449 3.774 1.00 0.00 C ATOM 142 CZ PHE A 9 -4.123 -10.358 4.607 1.00 0.00 C ATOM 0 H PHE A 9 -3.478 -8.364 -0.736 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.855 -10.703 0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.879 -10.510 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.955 -11.981 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.883 -12.460 2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.166 -8.910 1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.981 -12.157 4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.256 -8.599 4.190 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.162 -10.224 5.678 1.00 0.00 H new ATOM 152 N GLN A 10 -2.751 -11.744 -2.272 1.00 0.00 N ATOM 153 CA GLN A 10 -2.880 -12.058 -3.695 1.00 0.00 C ATOM 154 C GLN A 10 -4.263 -11.682 -4.170 1.00 0.00 C ATOM 155 O GLN A 10 -4.430 -11.065 -5.207 1.00 0.00 O ATOM 156 CB GLN A 10 -2.650 -13.544 -3.981 1.00 0.00 C ATOM 157 CG GLN A 10 -1.244 -14.042 -3.708 1.00 0.00 C ATOM 158 CD GLN A 10 -1.077 -15.527 -3.998 1.00 0.00 C ATOM 159 OE1 GLN A 10 -2.121 -16.297 -3.802 1.00 0.00 O flip ATOM 160 NE2 GLN A 10 0.004 -15.981 -4.384 1.00 0.00 N flip ATOM 0 H GLN A 10 -2.591 -12.552 -1.671 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.118 -11.487 -4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.348 -14.126 -3.379 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.891 -13.738 -5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.539 -13.476 -4.317 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.991 -13.850 -2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.798 -15.356 -4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.104 -16.981 -4.560 1.00 0.00 H new ATOM 169 N HIS A 11 -5.246 -12.008 -3.367 1.00 0.00 N ATOM 170 CA HIS A 11 -6.626 -11.756 -3.726 1.00 0.00 C ATOM 171 C HIS A 11 -7.078 -10.355 -3.308 1.00 0.00 C ATOM 172 O HIS A 11 -8.209 -9.955 -3.585 1.00 0.00 O ATOM 173 CB HIS A 11 -7.555 -12.819 -3.111 1.00 0.00 C ATOM 174 CG HIS A 11 -7.222 -14.235 -3.501 1.00 0.00 C ATOM 175 ND1 HIS A 11 -7.341 -14.733 -4.779 1.00 0.00 N ATOM 176 CD2 HIS A 11 -6.745 -15.259 -2.749 1.00 0.00 C ATOM 177 CE1 HIS A 11 -6.945 -16.008 -4.770 1.00 0.00 C ATOM 178 NE2 HIS A 11 -6.571 -16.379 -3.556 1.00 0.00 N ATOM 0 H HIS A 11 -5.119 -12.450 -2.457 1.00 0.00 H new ATOM 0 HA HIS A 11 -6.690 -11.816 -4.812 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -7.515 -12.735 -2.025 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.581 -12.604 -3.410 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -6.534 -15.212 -1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -6.932 -16.651 -5.638 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -6.227 -17.296 -3.271 1.00 0.00 H new ATOM 186 N LEU A 12 -6.200 -9.601 -2.662 1.00 0.00 N ATOM 187 CA LEU A 12 -6.557 -8.265 -2.176 1.00 0.00 C ATOM 188 C LEU A 12 -5.526 -7.235 -2.590 1.00 0.00 C ATOM 189 O LEU A 12 -4.432 -7.169 -2.010 1.00 0.00 O ATOM 190 CB LEU A 12 -6.723 -8.197 -0.632 1.00 0.00 C ATOM 191 CG LEU A 12 -7.903 -8.943 0.027 1.00 0.00 C ATOM 192 CD1 LEU A 12 -7.707 -10.449 0.040 1.00 0.00 C ATOM 193 CD2 LEU A 12 -8.123 -8.428 1.433 1.00 0.00 C ATOM 0 H LEU A 12 -5.241 -9.884 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.521 -8.043 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.804 -8.575 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.803 -7.146 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.788 -8.744 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.566 -10.924 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.611 -10.812 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.803 -10.693 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.957 -8.961 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.222 -8.590 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.348 -7.362 1.399 1.00 0.00 H new ATOM 205 N ASP A 13 -5.857 -6.438 -3.574 1.00 0.00 N ATOM 206 CA ASP A 13 -4.964 -5.393 -4.022 1.00 0.00 C ATOM 207 C ASP A 13 -5.381 -4.052 -3.482 1.00 0.00 C ATOM 208 O ASP A 13 -6.230 -3.352 -4.066 1.00 0.00 O ATOM 209 CB ASP A 13 -4.795 -5.333 -5.549 1.00 0.00 C ATOM 210 CG ASP A 13 -3.992 -6.480 -6.109 1.00 0.00 C ATOM 211 OD1 ASP A 13 -2.800 -6.617 -5.752 1.00 0.00 O ATOM 212 OD2 ASP A 13 -4.532 -7.272 -6.912 1.00 0.00 O ATOM 0 H ASP A 13 -6.739 -6.491 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.985 -5.652 -3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.780 -5.327 -6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.309 -4.395 -5.817 1.00 0.00 H new ATOM 217 N ASP A 14 -4.835 -3.715 -2.342 1.00 0.00 N ATOM 218 CA ASP A 14 -5.109 -2.438 -1.690 1.00 0.00 C ATOM 219 C ASP A 14 -4.024 -1.413 -1.997 1.00 0.00 C ATOM 220 O ASP A 14 -4.209 -0.204 -1.801 1.00 0.00 O ATOM 221 CB ASP A 14 -5.259 -2.604 -0.159 1.00 0.00 C ATOM 222 CG ASP A 14 -6.617 -3.139 0.281 1.00 0.00 C ATOM 223 OD1 ASP A 14 -6.831 -4.372 0.321 1.00 0.00 O ATOM 224 OD2 ASP A 14 -7.501 -2.324 0.623 1.00 0.00 O ATOM 0 H ASP A 14 -4.185 -4.312 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.054 -2.074 -2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.482 -3.278 0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.089 -1.639 0.318 1.00 0.00 H new ATOM 229 N CYS A 15 -2.921 -1.876 -2.532 1.00 0.00 N ATOM 230 CA CYS A 15 -1.767 -1.021 -2.770 1.00 0.00 C ATOM 231 C CYS A 15 -1.972 -0.139 -4.002 1.00 0.00 C ATOM 232 O CYS A 15 -2.516 -0.587 -5.006 1.00 0.00 O ATOM 233 CB CYS A 15 -0.523 -1.874 -2.932 1.00 0.00 C ATOM 234 SG CYS A 15 -0.319 -3.108 -1.626 1.00 0.00 S ATOM 0 H CYS A 15 -2.791 -2.847 -2.815 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.644 -0.363 -1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.562 -2.380 -3.896 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.353 -1.226 -2.948 1.00 0.00 H new ATOM 239 N CYS A 16 -1.515 1.108 -3.907 1.00 0.00 N ATOM 240 CA CYS A 16 -1.659 2.143 -4.952 1.00 0.00 C ATOM 241 C CYS A 16 -1.173 1.651 -6.324 1.00 0.00 C ATOM 242 O CYS A 16 -1.853 1.797 -7.329 1.00 0.00 O ATOM 243 CB CYS A 16 -0.825 3.346 -4.534 1.00 0.00 C ATOM 244 SG CYS A 16 -0.892 3.664 -2.740 1.00 0.00 S ATOM 0 H CYS A 16 -1.019 1.445 -3.082 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.715 2.396 -5.049 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.211 3.185 -4.831 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.176 4.229 -5.068 1.00 0.00 H new ATOM 249 N SER A 17 -0.017 1.034 -6.346 1.00 0.00 N ATOM 250 CA SER A 17 0.554 0.561 -7.580 1.00 0.00 C ATOM 251 C SER A 17 0.564 -0.977 -7.566 1.00 0.00 C ATOM 252 O SER A 17 1.279 -1.627 -8.328 1.00 0.00 O ATOM 253 CB SER A 17 1.972 1.157 -7.721 1.00 0.00 C ATOM 254 OG SER A 17 2.569 0.863 -8.968 1.00 0.00 O ATOM 0 H SER A 17 0.548 0.848 -5.518 1.00 0.00 H new ATOM 0 HA SER A 17 -0.033 0.879 -8.442 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.921 2.238 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.604 0.772 -6.921 1.00 0.00 H new ATOM 0 HG SER A 17 2.380 -0.068 -9.210 1.00 0.00 H new ATOM 260 N ARG A 18 -0.297 -1.543 -6.704 1.00 0.00 N ATOM 261 CA ARG A 18 -0.421 -2.989 -6.480 1.00 0.00 C ATOM 262 C ARG A 18 0.903 -3.671 -6.073 1.00 0.00 C ATOM 263 O ARG A 18 1.020 -4.894 -6.120 1.00 0.00 O ATOM 264 CB ARG A 18 -1.057 -3.652 -7.691 1.00 0.00 C ATOM 265 CG ARG A 18 -2.428 -3.083 -7.996 1.00 0.00 C ATOM 266 CD ARG A 18 -3.043 -3.724 -9.202 1.00 0.00 C ATOM 267 NE ARG A 18 -2.232 -3.528 -10.413 1.00 0.00 N ATOM 268 CZ ARG A 18 -2.376 -4.199 -11.562 1.00 0.00 C ATOM 269 NH1 ARG A 18 -3.223 -5.224 -11.651 1.00 0.00 N ATOM 270 NH2 ARG A 18 -1.637 -3.863 -12.610 1.00 0.00 N ATOM 0 H ARG A 18 -0.939 -0.994 -6.132 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.078 -3.123 -5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.409 -3.521 -8.558 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.141 -4.724 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.081 -3.228 -7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.347 -2.008 -8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.168 -4.791 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.038 -3.310 -9.363 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.498 -2.821 -10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.771 -5.505 -10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.324 -5.727 -12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.965 -3.099 -12.537 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.740 -4.369 -13.490 1.00 0.00 H new ATOM 284 N LYS A 19 1.873 -2.878 -5.623 1.00 0.00 N ATOM 285 CA LYS A 19 3.158 -3.411 -5.219 1.00 0.00 C ATOM 286 C LYS A 19 3.068 -3.865 -3.772 1.00 0.00 C ATOM 287 O LYS A 19 2.863 -3.051 -2.860 1.00 0.00 O ATOM 288 CB LYS A 19 4.263 -2.366 -5.362 1.00 0.00 C ATOM 289 CG LYS A 19 5.664 -2.964 -5.288 1.00 0.00 C ATOM 290 CD LYS A 19 6.761 -1.897 -5.285 1.00 0.00 C ATOM 291 CE LYS A 19 6.867 -1.166 -6.609 1.00 0.00 C ATOM 292 NZ LYS A 19 7.265 -2.066 -7.720 1.00 0.00 N ATOM 0 H LYS A 19 1.787 -1.866 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 19 3.407 -4.252 -5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.145 -1.849 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.152 -1.618 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.749 -3.570 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.815 -3.632 -6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.560 -1.177 -4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.718 -2.366 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.908 -0.704 -6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.595 -0.360 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.537 -1.497 -8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.071 -2.651 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.465 -2.682 -7.972 1.00 0.00 H new ATOM 306 N CYS A 20 3.218 -5.130 -3.573 1.00 0.00 N ATOM 307 CA CYS A 20 3.077 -5.728 -2.279 1.00 0.00 C ATOM 308 C CYS A 20 4.336 -6.516 -1.968 1.00 0.00 C ATOM 309 O CYS A 20 4.883 -7.186 -2.859 1.00 0.00 O ATOM 310 CB CYS A 20 1.859 -6.653 -2.315 1.00 0.00 C ATOM 311 SG CYS A 20 1.435 -7.431 -0.743 1.00 0.00 S ATOM 0 H CYS A 20 3.446 -5.793 -4.314 1.00 0.00 H new ATOM 0 HA CYS A 20 2.936 -4.972 -1.507 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.999 -6.081 -2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.039 -7.436 -3.052 1.00 0.00 H new ATOM 316 N ASN A 21 4.827 -6.431 -0.749 1.00 0.00 N ATOM 317 CA ASN A 21 6.028 -7.174 -0.388 1.00 0.00 C ATOM 318 C ASN A 21 5.685 -8.526 0.225 1.00 0.00 C ATOM 319 O ASN A 21 4.508 -8.841 0.449 1.00 0.00 O ATOM 320 CB ASN A 21 6.990 -6.381 0.540 1.00 0.00 C ATOM 321 CG ASN A 21 6.417 -5.989 1.903 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.506 -6.616 2.424 1.00 0.00 O ATOM 323 ND2 ASN A 21 7.003 -5.000 2.506 1.00 0.00 N ATOM 0 H ASN A 21 4.426 -5.867 0.000 1.00 0.00 H new ATOM 0 HA ASN A 21 6.563 -7.339 -1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.887 -6.979 0.701 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.301 -5.474 0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.706 -4.726 3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.760 -4.497 2.043 1.00 0.00 H new ATOM 330 N ARG A 22 6.713 -9.304 0.525 1.00 0.00 N ATOM 331 CA ARG A 22 6.581 -10.649 1.105 1.00 0.00 C ATOM 332 C ARG A 22 6.080 -10.613 2.556 1.00 0.00 C ATOM 333 O ARG A 22 5.868 -11.647 3.181 1.00 0.00 O ATOM 334 CB ARG A 22 7.919 -11.387 1.032 1.00 0.00 C ATOM 335 CG ARG A 22 9.032 -10.749 1.855 1.00 0.00 C ATOM 336 CD ARG A 22 10.325 -11.515 1.693 1.00 0.00 C ATOM 337 NE ARG A 22 11.390 -11.020 2.573 1.00 0.00 N ATOM 338 CZ ARG A 22 12.028 -11.766 3.501 1.00 0.00 C ATOM 339 NH1 ARG A 22 11.678 -13.042 3.692 1.00 0.00 N ATOM 340 NH2 ARG A 22 13.009 -11.231 4.225 1.00 0.00 N ATOM 0 H ARG A 22 7.682 -9.023 0.373 1.00 0.00 H new ATOM 0 HA ARG A 22 5.834 -11.182 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.774 -12.413 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.236 -11.438 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.175 -9.715 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.746 -10.727 2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.147 -12.570 1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.655 -11.448 0.656 1.00 0.00 H new ATOM 0 HE ARG A 22 11.668 -10.043 2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.928 -13.454 3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.161 -13.604 4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.279 -10.258 4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.491 -11.794 4.926 1.00 0.00 H new ATOM 354 N PHE A 23 5.903 -9.424 3.079 1.00 0.00 N ATOM 355 CA PHE A 23 5.391 -9.251 4.410 1.00 0.00 C ATOM 356 C PHE A 23 3.910 -8.932 4.337 1.00 0.00 C ATOM 357 O PHE A 23 3.280 -8.620 5.344 1.00 0.00 O ATOM 358 CB PHE A 23 6.152 -8.144 5.141 1.00 0.00 C ATOM 359 CG PHE A 23 7.607 -8.452 5.309 1.00 0.00 C ATOM 360 CD1 PHE A 23 8.014 -9.359 6.264 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.565 -7.848 4.509 1.00 0.00 C ATOM 362 CE1 PHE A 23 9.341 -9.662 6.425 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.899 -8.147 4.668 1.00 0.00 C ATOM 364 CZ PHE A 23 10.289 -9.057 5.629 1.00 0.00 C ATOM 0 H PHE A 23 6.111 -8.552 2.592 1.00 0.00 H new ATOM 0 HA PHE A 23 5.530 -10.174 4.973 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.045 -7.210 4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.703 -7.988 6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.278 -9.837 6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.262 -7.137 3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.644 -10.376 7.177 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.639 -7.670 4.042 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.335 -9.294 5.757 1.00 0.00 H new ATOM 374 N ASN A 24 3.367 -9.005 3.109 1.00 0.00 N ATOM 375 CA ASN A 24 1.937 -8.795 2.833 1.00 0.00 C ATOM 376 C ASN A 24 1.527 -7.378 3.156 1.00 0.00 C ATOM 377 O ASN A 24 0.395 -7.123 3.566 1.00 0.00 O ATOM 378 CB ASN A 24 1.059 -9.821 3.590 1.00 0.00 C ATOM 379 CG ASN A 24 1.221 -11.238 3.072 1.00 0.00 C ATOM 380 OD1 ASN A 24 0.481 -11.689 2.192 1.00 0.00 O ATOM 381 ND2 ASN A 24 2.169 -11.958 3.602 1.00 0.00 N ATOM 0 H ASN A 24 3.914 -9.213 2.274 1.00 0.00 H new ATOM 0 HA ASN A 24 1.778 -8.954 1.767 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.313 -9.796 4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.013 -9.527 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.314 -12.919 3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.766 -11.561 4.327 1.00 0.00 H new ATOM 388 N LYS A 25 2.432 -6.454 2.922 1.00 0.00 N ATOM 389 CA LYS A 25 2.186 -5.067 3.183 1.00 0.00 C ATOM 390 C LYS A 25 2.632 -4.244 1.956 1.00 0.00 C ATOM 391 O LYS A 25 3.607 -4.604 1.267 1.00 0.00 O ATOM 392 CB LYS A 25 2.872 -4.654 4.529 1.00 0.00 C ATOM 393 CG LYS A 25 2.604 -3.246 5.032 1.00 0.00 C ATOM 394 CD LYS A 25 3.387 -2.217 4.269 1.00 0.00 C ATOM 395 CE LYS A 25 4.862 -2.311 4.524 1.00 0.00 C ATOM 396 NZ LYS A 25 5.584 -1.239 3.830 1.00 0.00 N ATOM 0 H LYS A 25 3.359 -6.651 2.545 1.00 0.00 H new ATOM 0 HA LYS A 25 1.124 -4.865 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.556 -5.356 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.949 -4.773 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.539 -3.027 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.859 -3.184 6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.198 -2.339 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.037 -1.222 4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.054 -2.250 5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.232 -3.280 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.580 -1.242 4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.529 -1.392 2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.155 -0.322 4.067 1.00 0.00 H new ATOM 410 N CYS A 26 1.894 -3.188 1.677 1.00 0.00 N ATOM 411 CA CYS A 26 2.106 -2.337 0.513 1.00 0.00 C ATOM 412 C CYS A 26 3.433 -1.604 0.538 1.00 0.00 C ATOM 413 O CYS A 26 3.804 -0.979 1.539 1.00 0.00 O ATOM 414 CB CYS A 26 0.974 -1.325 0.396 1.00 0.00 C ATOM 415 SG CYS A 26 -0.644 -2.075 0.082 1.00 0.00 S ATOM 0 H CYS A 26 1.114 -2.888 2.262 1.00 0.00 H new ATOM 0 HA CYS A 26 2.122 -2.999 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.922 -0.743 1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.204 -0.628 -0.410 1.00 0.00 H new ATOM 420 N VAL A 27 4.144 -1.666 -0.555 1.00 0.00 N ATOM 421 CA VAL A 27 5.372 -0.941 -0.680 1.00 0.00 C ATOM 422 C VAL A 27 5.229 0.108 -1.748 1.00 0.00 C ATOM 423 O VAL A 27 4.641 -0.137 -2.813 1.00 0.00 O ATOM 424 CB VAL A 27 6.620 -1.841 -0.883 1.00 0.00 C ATOM 425 CG1 VAL A 27 7.021 -2.468 0.431 1.00 0.00 C ATOM 426 CG2 VAL A 27 6.345 -2.933 -1.887 1.00 0.00 C ATOM 0 H VAL A 27 3.889 -2.216 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 27 5.560 -0.449 0.274 1.00 0.00 H new ATOM 0 HB VAL A 27 7.428 -1.214 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.898 -3.098 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.257 -1.684 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.199 -3.074 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.237 -3.548 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.522 -3.554 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.077 -2.487 -2.845 1.00 0.00 H new ATOM 436 N LEU A 28 5.707 1.274 -1.453 1.00 0.00 N ATOM 437 CA LEU A 28 5.503 2.413 -2.297 1.00 0.00 C ATOM 438 C LEU A 28 6.623 2.527 -3.321 1.00 0.00 C ATOM 439 O LEU A 28 7.802 2.487 -2.956 1.00 0.00 O ATOM 440 CB LEU A 28 5.460 3.684 -1.444 1.00 0.00 C ATOM 441 CG LEU A 28 5.008 4.959 -2.153 1.00 0.00 C ATOM 442 CD1 LEU A 28 3.522 4.892 -2.476 1.00 0.00 C ATOM 443 CD2 LEU A 28 5.330 6.181 -1.312 1.00 0.00 C ATOM 0 H LEU A 28 6.254 1.467 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 28 4.557 2.291 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.794 3.507 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.455 3.855 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 28 5.554 5.045 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.218 5.809 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.329 4.039 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.954 4.781 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.000 7.079 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.816 6.109 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.406 6.234 -1.143 1.00 0.00 H new ATOM 455 N PRO A 29 6.286 2.625 -4.609 1.00 0.00 N ATOM 456 CA PRO A 29 7.274 2.862 -5.643 1.00 0.00 C ATOM 457 C PRO A 29 7.719 4.330 -5.609 1.00 0.00 C ATOM 458 O PRO A 29 7.034 5.186 -5.018 1.00 0.00 O ATOM 459 CB PRO A 29 6.516 2.558 -6.940 1.00 0.00 C ATOM 460 CG PRO A 29 5.088 2.803 -6.616 1.00 0.00 C ATOM 461 CD PRO A 29 4.923 2.496 -5.154 1.00 0.00 C ATOM 0 HA PRO A 29 8.174 2.258 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.852 3.201 -7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.677 1.528 -7.260 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.814 3.836 -6.829 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.439 2.170 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.234 3.191 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.524 1.494 -4.999 1.00 0.00 H new ATOM 469 N GLU A 30 8.816 4.638 -6.245 1.00 0.00 N ATOM 470 CA GLU A 30 9.336 5.993 -6.237 1.00 0.00 C ATOM 471 C GLU A 30 8.503 6.920 -7.124 1.00 0.00 C ATOM 472 O GLU A 30 8.542 8.139 -6.988 1.00 0.00 O ATOM 473 CB GLU A 30 10.814 6.020 -6.602 1.00 0.00 C ATOM 474 CG GLU A 30 11.671 5.249 -5.610 1.00 0.00 C ATOM 475 CD GLU A 30 13.140 5.390 -5.870 1.00 0.00 C ATOM 476 OE1 GLU A 30 13.724 6.432 -5.500 1.00 0.00 O ATOM 477 OE2 GLU A 30 13.752 4.473 -6.442 1.00 0.00 O ATOM 0 H GLU A 30 9.374 3.972 -6.779 1.00 0.00 H new ATOM 0 HA GLU A 30 9.252 6.375 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.947 5.598 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.156 7.054 -6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.451 5.598 -4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.401 4.194 -5.648 1.00 0.00 H new ATOM 484 N THR A 31 7.741 6.336 -8.016 1.00 0.00 N ATOM 485 CA THR A 31 6.829 7.086 -8.849 1.00 0.00 C ATOM 486 C THR A 31 5.413 7.098 -8.193 1.00 0.00 C ATOM 487 O THR A 31 4.440 7.593 -8.764 1.00 0.00 O ATOM 488 CB THR A 31 6.769 6.448 -10.262 1.00 0.00 C ATOM 489 OG1 THR A 31 8.108 6.162 -10.691 1.00 0.00 O ATOM 490 CG2 THR A 31 6.139 7.397 -11.280 1.00 0.00 C ATOM 0 H THR A 31 7.734 5.330 -8.186 1.00 0.00 H new ATOM 0 HA THR A 31 7.180 8.114 -8.945 1.00 0.00 H new ATOM 0 HB THR A 31 6.162 5.544 -10.203 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.086 5.756 -11.583 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.114 6.917 -12.258 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.123 7.642 -10.969 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.730 8.311 -11.340 1.00 0.00 H new ATOM 498 N GLY A 32 5.315 6.569 -6.986 1.00 0.00 N ATOM 499 CA GLY A 32 4.036 6.513 -6.308 1.00 0.00 C ATOM 500 C GLY A 32 4.002 7.424 -5.111 1.00 0.00 C ATOM 501 O GLY A 32 5.042 7.958 -4.703 1.00 0.00 O ATOM 0 H GLY A 32 6.097 6.177 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.243 6.793 -7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.836 5.489 -5.992 1.00 0.00 H new ATOM 505 N GLY A 33 2.837 7.628 -4.561 1.00 0.00 N ATOM 506 CA GLY A 33 2.706 8.463 -3.392 1.00 0.00 C ATOM 507 C GLY A 33 1.376 9.155 -3.368 1.00 0.00 C ATOM 508 O GLY A 33 0.663 9.151 -4.383 1.00 0.00 O ATOM 0 H GLY A 33 1.962 7.229 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.820 7.856 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.505 9.204 -3.380 1.00 0.00 H new ATOM 512 N GLY A 34 1.037 9.741 -2.231 1.00 0.00 N ATOM 513 CA GLY A 34 -0.223 10.451 -2.081 1.00 0.00 C ATOM 514 C GLY A 34 -1.406 9.547 -2.298 1.00 0.00 C ATOM 515 O GLY A 34 -2.329 9.871 -3.053 1.00 0.00 O ATOM 0 H GLY A 34 1.620 9.739 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.277 10.887 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.262 11.276 -2.792 1.00 0.00 H new TER 519 GLY A 34