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 X(o=0,f=-0.079) USER MOD Single : A 6 GLN : amide:sc= -1.65! C(o=-1.6!,f=-6.5!) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= 1.26 (180deg=1.08) USER MOD Single : A 10 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 165:sc= 0.0694 USER MOD Single : A 19 LYS NZ :NH3+ -170:sc=-0.00202 (180deg=-0.134) USER MOD Single : A 21 ASN : amide:sc= 0.231 K(o=0.23,f=-9.3!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0298 (180deg=-0.309) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0155 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -0.512 7.848 -2.955 1.00 0.00 N ATOM 2 CA CYS A 1 -1.856 7.385 -2.748 1.00 0.00 C ATOM 3 C CYS A 1 -1.942 6.719 -1.363 1.00 0.00 C ATOM 4 O CYS A 1 -1.466 7.304 -0.373 1.00 0.00 O ATOM 5 CB CYS A 1 -2.204 6.415 -3.890 1.00 0.00 C ATOM 6 SG CYS A 1 -3.982 6.060 -4.099 1.00 0.00 S ATOM 0 H3 CYS A 1 -0.441 8.301 -3.889 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.577 8.202 -2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.821 6.827 -4.824 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.681 5.475 -3.718 1.00 0.00 H new ATOM 11 N ARG A 2 -2.565 5.545 -1.278 1.00 0.00 N ATOM 12 CA ARG A 2 -2.687 4.825 -0.019 1.00 0.00 C ATOM 13 C ARG A 2 -1.306 4.469 0.526 1.00 0.00 C ATOM 14 O ARG A 2 -0.452 3.956 -0.221 1.00 0.00 O ATOM 15 CB ARG A 2 -3.543 3.565 -0.197 1.00 0.00 C ATOM 16 CG ARG A 2 -3.874 2.853 1.112 1.00 0.00 C ATOM 17 CD ARG A 2 -4.823 1.684 0.896 1.00 0.00 C ATOM 18 NE ARG A 2 -6.083 2.112 0.268 1.00 0.00 N ATOM 19 CZ ARG A 2 -7.223 1.408 0.256 1.00 0.00 C ATOM 20 NH1 ARG A 2 -7.325 0.280 0.953 1.00 0.00 N ATOM 21 NH2 ARG A 2 -8.268 1.855 -0.433 1.00 0.00 N ATOM 0 H ARG A 2 -2.994 5.073 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.185 5.473 0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.473 3.837 -0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.019 2.871 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.954 2.494 1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.323 3.562 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.340 0.935 0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.037 1.208 1.853 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.089 3.020 -0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.532 -0.054 1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.196 -0.251 0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.201 2.731 -0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.137 1.322 -0.444 1.00 0.00 H new ATOM 35 N ILE A 3 -1.092 4.773 1.803 1.00 0.00 N ATOM 36 CA ILE A 3 0.171 4.542 2.487 1.00 0.00 C ATOM 37 C ILE A 3 0.659 3.092 2.376 1.00 0.00 C ATOM 38 O ILE A 3 -0.127 2.138 2.490 1.00 0.00 O ATOM 39 CB ILE A 3 0.159 4.967 4.003 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.873 4.198 4.876 1.00 0.00 C ATOM 41 CG2 ILE A 3 0.008 6.464 4.164 1.00 0.00 C ATOM 42 CD1 ILE A 3 -2.322 4.482 4.584 1.00 0.00 C ATOM 0 H ILE A 3 -1.805 5.194 2.399 1.00 0.00 H new ATOM 0 HA ILE A 3 0.871 5.190 1.960 1.00 0.00 H new ATOM 0 HB ILE A 3 1.137 4.676 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.700 3.129 4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.681 4.432 5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.004 6.717 5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.840 6.969 3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.929 6.786 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.950 3.892 5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.523 5.542 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.543 4.218 3.550 1.00 0.00 H new HETATM 54 N HYP A 4 1.976 2.914 2.199 1.00 0.00 N HETATM 55 CA HYP A 4 2.621 1.594 2.068 1.00 0.00 C HETATM 56 C HYP A 4 2.774 0.899 3.424 1.00 0.00 C HETATM 57 O HYP A 4 3.781 0.277 3.712 1.00 0.00 O HETATM 58 CB HYP A 4 3.998 1.963 1.514 1.00 0.00 C HETATM 59 CG HYP A 4 4.265 3.287 2.115 1.00 0.00 C HETATM 60 CD HYP A 4 2.963 4.004 2.104 1.00 0.00 C HETATM 61 OD1 HYP A 4 5.189 4.027 1.337 1.00 0.00 O HETATM 0 HD23 HYP A 4 2.832 4.587 1.192 1.00 0.00 H new HETATM 0 HD22 HYP A 4 2.878 4.698 2.941 1.00 0.00 H new HETATM 0 HG HYP A 4 4.685 3.174 3.115 1.00 0.00 H new HETATM 0 HD1 HYP A 4 5.346 4.899 1.757 1.00 0.00 H new HETATM 0 HB3 HYP A 4 4.755 1.232 1.799 1.00 0.00 H new HETATM 0 HB2 HYP A 4 3.994 2.009 0.425 1.00 0.00 H new HETATM 0 HA HYP A 4 2.051 0.903 1.448 1.00 0.00 H new ATOM 69 N ASN A 5 1.770 1.008 4.240 1.00 0.00 N ATOM 70 CA ASN A 5 1.767 0.362 5.536 1.00 0.00 C ATOM 71 C ASN A 5 0.523 -0.450 5.669 1.00 0.00 C ATOM 72 O ASN A 5 0.202 -0.958 6.745 1.00 0.00 O ATOM 73 CB ASN A 5 1.850 1.378 6.690 1.00 0.00 C ATOM 74 CG ASN A 5 3.141 2.170 6.713 1.00 0.00 C ATOM 75 OD1 ASN A 5 3.236 3.244 6.114 1.00 0.00 O ATOM 76 ND2 ASN A 5 4.134 1.664 7.399 1.00 0.00 N ATOM 0 H ASN A 5 0.927 1.544 4.035 1.00 0.00 H new ATOM 0 HA ASN A 5 2.649 -0.275 5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.011 2.070 6.614 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.742 0.849 7.637 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.023 2.161 7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.019 0.773 7.882 1.00 0.00 H new ATOM 83 N GLN A 6 -0.184 -0.576 4.574 1.00 0.00 N ATOM 84 CA GLN A 6 -1.407 -1.323 4.549 1.00 0.00 C ATOM 85 C GLN A 6 -1.157 -2.702 3.995 1.00 0.00 C ATOM 86 O GLN A 6 -0.041 -3.014 3.573 1.00 0.00 O ATOM 87 CB GLN A 6 -2.485 -0.598 3.738 1.00 0.00 C ATOM 88 CG GLN A 6 -2.888 0.767 4.297 1.00 0.00 C ATOM 89 CD GLN A 6 -3.516 0.712 5.692 1.00 0.00 C ATOM 90 OE1 GLN A 6 -3.215 -0.156 6.512 1.00 0.00 O ATOM 91 NE2 GLN A 6 -4.389 1.640 5.971 1.00 0.00 N ATOM 0 H GLN A 6 0.075 -0.163 3.678 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.773 -1.415 5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.127 -0.467 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.371 -1.231 3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.007 1.407 4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.594 1.234 3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.621 2.348 5.274 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.840 1.658 6.886 1.00 0.00 H new ATOM 100 N LYS A 7 -2.174 -3.508 4.004 1.00 0.00 N ATOM 101 CA LYS A 7 -2.090 -4.867 3.531 1.00 0.00 C ATOM 102 C LYS A 7 -2.596 -5.013 2.114 1.00 0.00 C ATOM 103 O LYS A 7 -3.472 -4.268 1.677 1.00 0.00 O ATOM 104 CB LYS A 7 -2.804 -5.845 4.498 1.00 0.00 C ATOM 105 CG LYS A 7 -4.132 -5.354 5.122 1.00 0.00 C ATOM 106 CD LYS A 7 -5.264 -5.135 4.112 1.00 0.00 C ATOM 107 CE LYS A 7 -5.682 -6.427 3.423 1.00 0.00 C ATOM 108 NZ LYS A 7 -6.841 -6.227 2.527 1.00 0.00 N ATOM 0 H LYS A 7 -3.099 -3.243 4.343 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.033 -5.133 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.002 -6.772 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.116 -6.087 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.460 -6.080 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.947 -4.419 5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.125 -4.703 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.943 -4.413 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.843 -6.819 2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.930 -7.175 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.302 -7.142 2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.520 -5.580 2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.517 -5.819 1.627 1.00 0.00 H new ATOM 122 N CYS A 8 -2.049 -5.956 1.410 1.00 0.00 N ATOM 123 CA CYS A 8 -2.481 -6.239 0.074 1.00 0.00 C ATOM 124 C CYS A 8 -2.337 -7.720 -0.200 1.00 0.00 C ATOM 125 O CYS A 8 -1.653 -8.433 0.544 1.00 0.00 O ATOM 126 CB CYS A 8 -1.688 -5.404 -0.941 1.00 0.00 C ATOM 127 SG CYS A 8 0.120 -5.574 -0.813 1.00 0.00 S ATOM 0 H CYS A 8 -1.291 -6.551 1.744 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.531 -5.966 -0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.996 -5.689 -1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.951 -4.354 -0.813 1.00 0.00 H new ATOM 132 N PHE A 9 -3.025 -8.191 -1.205 1.00 0.00 N ATOM 133 CA PHE A 9 -2.950 -9.572 -1.615 1.00 0.00 C ATOM 134 C PHE A 9 -2.806 -9.604 -3.125 1.00 0.00 C ATOM 135 O PHE A 9 -2.623 -8.546 -3.741 1.00 0.00 O ATOM 136 CB PHE A 9 -4.174 -10.380 -1.147 1.00 0.00 C ATOM 137 CG PHE A 9 -4.278 -10.585 0.345 1.00 0.00 C ATOM 138 CD1 PHE A 9 -4.891 -9.649 1.170 1.00 0.00 C ATOM 139 CD2 PHE A 9 -3.766 -11.731 0.917 1.00 0.00 C ATOM 140 CE1 PHE A 9 -4.979 -9.869 2.530 1.00 0.00 C ATOM 141 CE2 PHE A 9 -3.855 -11.949 2.271 1.00 0.00 C ATOM 142 CZ PHE A 9 -4.463 -11.017 3.078 1.00 0.00 C ATOM 0 H PHE A 9 -3.659 -7.625 -1.768 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.086 -10.045 -1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.076 -9.875 -1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.151 -11.356 -1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.301 -8.745 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.287 -12.469 0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.455 -9.136 3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.447 -12.852 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.535 -11.188 4.142 1.00 0.00 H new ATOM 152 N GLN A 10 -2.904 -10.773 -3.733 1.00 0.00 N ATOM 153 CA GLN A 10 -2.651 -10.885 -5.166 1.00 0.00 C ATOM 154 C GLN A 10 -3.734 -10.227 -5.999 1.00 0.00 C ATOM 155 O GLN A 10 -3.439 -9.422 -6.876 1.00 0.00 O ATOM 156 CB GLN A 10 -2.443 -12.333 -5.608 1.00 0.00 C ATOM 157 CG GLN A 10 -1.358 -13.077 -4.840 1.00 0.00 C ATOM 158 CD GLN A 10 -0.064 -12.286 -4.709 1.00 0.00 C ATOM 159 OE1 GLN A 10 0.144 -11.556 -3.733 1.00 0.00 O ATOM 160 NE2 GLN A 10 0.783 -12.392 -5.676 1.00 0.00 N ATOM 0 H GLN A 10 -3.152 -11.647 -3.270 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.721 -10.344 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.384 -12.872 -5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.192 -12.344 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.729 -13.321 -3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.149 -14.021 -5.343 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.580 -13.004 -6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.656 -11.864 -5.650 1.00 0.00 H new ATOM 169 N HIS A 11 -4.983 -10.530 -5.715 1.00 0.00 N ATOM 170 CA HIS A 11 -6.061 -9.930 -6.480 1.00 0.00 C ATOM 171 C HIS A 11 -6.731 -8.815 -5.692 1.00 0.00 C ATOM 172 O HIS A 11 -7.619 -8.128 -6.188 1.00 0.00 O ATOM 173 CB HIS A 11 -7.084 -10.981 -7.000 1.00 0.00 C ATOM 174 CG HIS A 11 -7.865 -11.732 -5.959 1.00 0.00 C ATOM 175 ND1 HIS A 11 -7.597 -13.030 -5.578 1.00 0.00 N ATOM 176 CD2 HIS A 11 -8.960 -11.358 -5.263 1.00 0.00 C ATOM 177 CE1 HIS A 11 -8.522 -13.398 -4.682 1.00 0.00 C ATOM 178 NE2 HIS A 11 -9.377 -12.412 -4.458 1.00 0.00 N ATOM 0 H HIS A 11 -5.275 -11.172 -4.979 1.00 0.00 H new ATOM 0 HA HIS A 11 -5.616 -9.485 -7.370 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -7.791 -10.473 -7.656 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -6.547 -11.706 -7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -9.437 -10.391 -5.322 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -8.565 -14.367 -4.207 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -10.177 -12.423 -3.825 1.00 0.00 H new ATOM 186 N LEU A 12 -6.297 -8.643 -4.465 1.00 0.00 N ATOM 187 CA LEU A 12 -6.812 -7.591 -3.613 1.00 0.00 C ATOM 188 C LEU A 12 -5.846 -6.434 -3.614 1.00 0.00 C ATOM 189 O LEU A 12 -4.853 -6.425 -2.866 1.00 0.00 O ATOM 190 CB LEU A 12 -7.028 -8.082 -2.181 1.00 0.00 C ATOM 191 CG LEU A 12 -7.977 -9.266 -2.011 1.00 0.00 C ATOM 192 CD1 LEU A 12 -7.996 -9.724 -0.575 1.00 0.00 C ATOM 193 CD2 LEU A 12 -9.371 -8.882 -2.435 1.00 0.00 C ATOM 0 H LEU A 12 -5.581 -9.224 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.778 -7.275 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.059 -8.356 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.408 -7.251 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.622 -10.082 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.677 -10.568 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.993 -10.029 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.332 -8.907 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.038 -9.735 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.723 -8.053 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.363 -8.580 -3.482 1.00 0.00 H new ATOM 205 N ASP A 13 -6.092 -5.492 -4.477 1.00 0.00 N ATOM 206 CA ASP A 13 -5.232 -4.333 -4.605 1.00 0.00 C ATOM 207 C ASP A 13 -5.783 -3.209 -3.786 1.00 0.00 C ATOM 208 O ASP A 13 -6.520 -2.358 -4.305 1.00 0.00 O ATOM 209 CB ASP A 13 -5.121 -3.841 -6.055 1.00 0.00 C ATOM 210 CG ASP A 13 -4.669 -4.880 -7.032 1.00 0.00 C ATOM 211 OD1 ASP A 13 -3.466 -5.077 -7.199 1.00 0.00 O ATOM 212 OD2 ASP A 13 -5.522 -5.500 -7.684 1.00 0.00 O ATOM 0 H ASP A 13 -6.889 -5.497 -5.113 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.243 -4.635 -4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.093 -3.462 -6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.425 -3.003 -6.088 1.00 0.00 H new ATOM 217 N ASP A 14 -5.537 -3.240 -2.506 1.00 0.00 N ATOM 218 CA ASP A 14 -5.967 -2.148 -1.646 1.00 0.00 C ATOM 219 C ASP A 14 -5.141 -0.914 -1.957 1.00 0.00 C ATOM 220 O ASP A 14 -5.668 0.167 -2.223 1.00 0.00 O ATOM 221 CB ASP A 14 -5.859 -2.511 -0.150 1.00 0.00 C ATOM 222 CG ASP A 14 -6.896 -3.526 0.316 1.00 0.00 C ATOM 223 OD1 ASP A 14 -8.035 -3.120 0.678 1.00 0.00 O ATOM 224 OD2 ASP A 14 -6.595 -4.736 0.360 1.00 0.00 O ATOM 0 H ASP A 14 -5.047 -3.997 -2.029 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.020 -1.949 -1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.863 -2.908 0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.963 -1.602 0.443 1.00 0.00 H new ATOM 229 N CYS A 15 -3.851 -1.101 -1.995 1.00 0.00 N ATOM 230 CA CYS A 15 -2.929 -0.034 -2.274 1.00 0.00 C ATOM 231 C CYS A 15 -2.847 0.241 -3.758 1.00 0.00 C ATOM 232 O CYS A 15 -2.843 -0.681 -4.578 1.00 0.00 O ATOM 233 CB CYS A 15 -1.569 -0.366 -1.700 1.00 0.00 C ATOM 234 SG CYS A 15 -1.604 -0.535 0.104 1.00 0.00 S ATOM 0 H CYS A 15 -3.406 -2.004 -1.832 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.293 0.876 -1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.208 -1.294 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.861 0.415 -1.975 1.00 0.00 H new ATOM 239 N CYS A 16 -2.738 1.503 -4.085 1.00 0.00 N ATOM 240 CA CYS A 16 -2.747 1.997 -5.455 1.00 0.00 C ATOM 241 C CYS A 16 -1.448 1.615 -6.172 1.00 0.00 C ATOM 242 O CYS A 16 -1.382 1.554 -7.419 1.00 0.00 O ATOM 243 CB CYS A 16 -2.893 3.508 -5.395 1.00 0.00 C ATOM 244 SG CYS A 16 -4.113 4.042 -4.134 1.00 0.00 S ATOM 0 H CYS A 16 -2.637 2.244 -3.391 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.572 1.555 -6.013 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.924 3.955 -5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.199 3.880 -6.373 1.00 0.00 H new ATOM 249 N SER A 17 -0.423 1.349 -5.378 1.00 0.00 N ATOM 250 CA SER A 17 0.854 0.929 -5.874 1.00 0.00 C ATOM 251 C SER A 17 0.765 -0.486 -6.433 1.00 0.00 C ATOM 252 O SER A 17 1.502 -0.849 -7.351 1.00 0.00 O ATOM 253 CB SER A 17 1.875 0.997 -4.736 1.00 0.00 C ATOM 254 OG SER A 17 1.430 0.261 -3.592 1.00 0.00 O ATOM 0 H SER A 17 -0.467 1.423 -4.362 1.00 0.00 H new ATOM 0 HA SER A 17 1.170 1.589 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.830 0.599 -5.078 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.044 2.037 -4.458 1.00 0.00 H new ATOM 0 HG SER A 17 2.183 0.120 -2.980 1.00 0.00 H new ATOM 260 N ARG A 18 -0.187 -1.267 -5.873 1.00 0.00 N ATOM 261 CA ARG A 18 -0.415 -2.671 -6.217 1.00 0.00 C ATOM 262 C ARG A 18 0.840 -3.504 -6.017 1.00 0.00 C ATOM 263 O ARG A 18 1.017 -4.569 -6.638 1.00 0.00 O ATOM 264 CB ARG A 18 -0.909 -2.786 -7.637 1.00 0.00 C ATOM 265 CG ARG A 18 -2.198 -2.045 -7.857 1.00 0.00 C ATOM 266 CD ARG A 18 -2.692 -2.263 -9.243 1.00 0.00 C ATOM 267 NE ARG A 18 -3.008 -3.673 -9.492 1.00 0.00 N ATOM 268 CZ ARG A 18 -3.032 -4.264 -10.683 1.00 0.00 C ATOM 269 NH1 ARG A 18 -2.637 -3.604 -11.770 1.00 0.00 N ATOM 270 NH2 ARG A 18 -3.429 -5.531 -10.778 1.00 0.00 N ATOM 0 H ARG A 18 -0.826 -0.923 -5.156 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.179 -3.062 -5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.149 -2.398 -8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.051 -3.838 -7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.946 -2.383 -7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.047 -0.980 -7.681 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.581 -1.656 -9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.938 -1.928 -9.955 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.229 -4.251 -8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.314 -2.640 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.658 -4.063 -12.681 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.712 -6.041 -9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.450 -5.992 -11.688 1.00 0.00 H new ATOM 284 N LYS A 19 1.687 -3.060 -5.117 1.00 0.00 N ATOM 285 CA LYS A 19 2.947 -3.706 -4.903 1.00 0.00 C ATOM 286 C LYS A 19 3.054 -4.170 -3.469 1.00 0.00 C ATOM 287 O LYS A 19 2.984 -3.358 -2.537 1.00 0.00 O ATOM 288 CB LYS A 19 4.093 -2.756 -5.254 1.00 0.00 C ATOM 289 CG LYS A 19 5.472 -3.390 -5.198 1.00 0.00 C ATOM 290 CD LYS A 19 5.647 -4.506 -6.211 1.00 0.00 C ATOM 291 CE LYS A 19 7.019 -5.157 -6.084 1.00 0.00 C ATOM 292 NZ LYS A 19 8.129 -4.207 -6.335 1.00 0.00 N ATOM 0 H LYS A 19 1.518 -2.249 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 19 3.015 -4.578 -5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.928 -2.362 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.068 -1.908 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.227 -2.624 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.646 -3.784 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.871 -5.257 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.522 -4.109 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.126 -5.578 -5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.090 -5.986 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.025 -4.730 -6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.956 -3.698 -7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.186 -3.525 -5.552 1.00 0.00 H new ATOM 306 N CYS A 20 3.226 -5.447 -3.308 1.00 0.00 N ATOM 307 CA CYS A 20 3.309 -6.068 -2.011 1.00 0.00 C ATOM 308 C CYS A 20 4.727 -6.543 -1.748 1.00 0.00 C ATOM 309 O CYS A 20 5.486 -6.823 -2.691 1.00 0.00 O ATOM 310 CB CYS A 20 2.347 -7.262 -1.952 1.00 0.00 C ATOM 311 SG CYS A 20 0.610 -6.840 -2.319 1.00 0.00 S ATOM 0 H CYS A 20 3.315 -6.102 -4.085 1.00 0.00 H new ATOM 0 HA CYS A 20 3.033 -5.338 -1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.683 -8.020 -2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.399 -7.708 -0.959 1.00 0.00 H new ATOM 316 N ASN A 21 5.100 -6.582 -0.496 1.00 0.00 N ATOM 317 CA ASN A 21 6.388 -7.116 -0.083 1.00 0.00 C ATOM 318 C ASN A 21 6.203 -8.509 0.504 1.00 0.00 C ATOM 319 O ASN A 21 5.087 -9.044 0.505 1.00 0.00 O ATOM 320 CB ASN A 21 7.114 -6.195 0.935 1.00 0.00 C ATOM 321 CG ASN A 21 6.340 -5.899 2.233 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.478 -6.662 2.664 1.00 0.00 O ATOM 323 ND2 ASN A 21 6.695 -4.830 2.894 1.00 0.00 N ATOM 0 H ASN A 21 4.523 -6.245 0.275 1.00 0.00 H new ATOM 0 HA ASN A 21 7.020 -7.169 -0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.067 -6.654 1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.341 -5.248 0.444 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.254 -4.613 3.788 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.413 -4.212 2.516 1.00 0.00 H new ATOM 330 N ARG A 22 7.272 -9.078 1.044 1.00 0.00 N ATOM 331 CA ARG A 22 7.235 -10.421 1.629 1.00 0.00 C ATOM 332 C ARG A 22 6.395 -10.482 2.912 1.00 0.00 C ATOM 333 O ARG A 22 6.093 -11.561 3.410 1.00 0.00 O ATOM 334 CB ARG A 22 8.645 -10.940 1.903 1.00 0.00 C ATOM 335 CG ARG A 22 9.417 -10.144 2.944 1.00 0.00 C ATOM 336 CD ARG A 22 10.808 -10.702 3.125 1.00 0.00 C ATOM 337 NE ARG A 22 11.593 -10.609 1.895 1.00 0.00 N ATOM 338 CZ ARG A 22 12.422 -11.552 1.438 1.00 0.00 C ATOM 339 NH1 ARG A 22 12.526 -12.725 2.065 1.00 0.00 N ATOM 340 NH2 ARG A 22 13.132 -11.325 0.345 1.00 0.00 N ATOM 0 H ARG A 22 8.187 -8.629 1.091 1.00 0.00 H new ATOM 0 HA ARG A 22 6.755 -11.064 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.580 -11.977 2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.208 -10.936 0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.477 -9.099 2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.884 -10.168 3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.316 -10.160 3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.744 -11.744 3.438 1.00 0.00 H new ATOM 0 HE ARG A 22 11.500 -9.757 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.970 -12.908 2.900 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.161 -13.439 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.045 -10.434 -0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.767 -12.041 -0.009 1.00 0.00 H new ATOM 354 N PHE A 23 6.023 -9.337 3.442 1.00 0.00 N ATOM 355 CA PHE A 23 5.203 -9.284 4.637 1.00 0.00 C ATOM 356 C PHE A 23 3.739 -9.173 4.255 1.00 0.00 C ATOM 357 O PHE A 23 2.872 -9.078 5.119 1.00 0.00 O ATOM 358 CB PHE A 23 5.608 -8.106 5.530 1.00 0.00 C ATOM 359 CG PHE A 23 7.002 -8.221 6.054 1.00 0.00 C ATOM 360 CD1 PHE A 23 7.279 -9.079 7.094 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.034 -7.481 5.507 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.555 -9.208 7.583 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.316 -7.603 5.993 1.00 0.00 C ATOM 364 CZ PHE A 23 9.580 -8.468 7.034 1.00 0.00 C ATOM 0 H PHE A 23 6.276 -8.424 3.063 1.00 0.00 H new ATOM 0 HA PHE A 23 5.358 -10.204 5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.514 -7.179 4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.915 -8.038 6.369 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.480 -9.659 7.532 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.833 -6.802 4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.756 -9.889 8.397 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.115 -7.021 5.559 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.585 -8.565 7.417 1.00 0.00 H new ATOM 374 N ASN A 24 3.483 -9.181 2.933 1.00 0.00 N ATOM 375 CA ASN A 24 2.127 -9.077 2.341 1.00 0.00 C ATOM 376 C ASN A 24 1.548 -7.695 2.586 1.00 0.00 C ATOM 377 O ASN A 24 0.318 -7.465 2.540 1.00 0.00 O ATOM 378 CB ASN A 24 1.172 -10.185 2.839 1.00 0.00 C ATOM 379 CG ASN A 24 1.632 -11.586 2.474 1.00 0.00 C ATOM 380 OD1 ASN A 24 1.336 -12.084 1.396 1.00 0.00 O ATOM 381 ND2 ASN A 24 2.311 -12.249 3.380 1.00 0.00 N ATOM 0 H ASN A 24 4.220 -9.261 2.232 1.00 0.00 H new ATOM 0 HA ASN A 24 2.231 -9.227 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.077 -10.112 3.922 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.180 -10.015 2.420 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.607 -13.207 3.195 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.542 -11.806 4.269 1.00 0.00 H new ATOM 388 N LYS A 25 2.442 -6.774 2.816 1.00 0.00 N ATOM 389 CA LYS A 25 2.103 -5.407 3.026 1.00 0.00 C ATOM 390 C LYS A 25 2.493 -4.632 1.802 1.00 0.00 C ATOM 391 O LYS A 25 3.271 -5.126 0.976 1.00 0.00 O ATOM 392 CB LYS A 25 2.806 -4.845 4.266 1.00 0.00 C ATOM 393 CG LYS A 25 2.394 -5.498 5.581 1.00 0.00 C ATOM 394 CD LYS A 25 0.894 -5.369 5.818 1.00 0.00 C ATOM 395 CE LYS A 25 0.498 -5.811 7.215 1.00 0.00 C ATOM 396 NZ LYS A 25 1.060 -4.921 8.247 1.00 0.00 N ATOM 0 H LYS A 25 3.443 -6.963 2.862 1.00 0.00 H new ATOM 0 HA LYS A 25 1.030 -5.321 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.883 -4.960 4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.605 -3.776 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.673 -6.552 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.936 -5.034 6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.591 -4.333 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.358 -5.969 5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.589 -5.824 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.843 -6.831 7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.553 -5.065 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.068 -5.138 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.956 -3.931 7.946 1.00 0.00 H new ATOM 410 N CYS A 26 1.979 -3.462 1.678 1.00 0.00 N ATOM 411 CA CYS A 26 2.231 -2.644 0.527 1.00 0.00 C ATOM 412 C CYS A 26 3.577 -1.963 0.637 1.00 0.00 C ATOM 413 O CYS A 26 4.042 -1.665 1.734 1.00 0.00 O ATOM 414 CB CYS A 26 1.163 -1.584 0.423 1.00 0.00 C ATOM 415 SG CYS A 26 -0.535 -2.209 0.412 1.00 0.00 S ATOM 0 H CYS A 26 1.366 -3.034 2.372 1.00 0.00 H new ATOM 0 HA CYS A 26 2.224 -3.283 -0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.275 -0.894 1.259 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.329 -1.010 -0.489 1.00 0.00 H new ATOM 420 N VAL A 27 4.206 -1.738 -0.483 1.00 0.00 N ATOM 421 CA VAL A 27 5.435 -0.979 -0.524 1.00 0.00 C ATOM 422 C VAL A 27 5.319 0.151 -1.512 1.00 0.00 C ATOM 423 O VAL A 27 4.331 0.227 -2.274 1.00 0.00 O ATOM 424 CB VAL A 27 6.698 -1.833 -0.825 1.00 0.00 C ATOM 425 CG1 VAL A 27 7.069 -2.665 0.367 1.00 0.00 C ATOM 426 CG2 VAL A 27 6.485 -2.730 -2.021 1.00 0.00 C ATOM 0 H VAL A 27 3.887 -2.072 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 27 5.576 -0.582 0.481 1.00 0.00 H new ATOM 0 HB VAL A 27 7.511 -1.143 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.956 -3.256 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.278 -2.013 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.244 -3.332 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.388 -3.313 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.651 -3.404 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.263 -2.121 -2.897 1.00 0.00 H new ATOM 436 N LEU A 28 6.297 1.019 -1.494 1.00 0.00 N ATOM 437 CA LEU A 28 6.334 2.164 -2.356 1.00 0.00 C ATOM 438 C LEU A 28 6.772 1.700 -3.743 1.00 0.00 C ATOM 439 O LEU A 28 7.749 0.943 -3.868 1.00 0.00 O ATOM 440 CB LEU A 28 7.340 3.189 -1.799 1.00 0.00 C ATOM 441 CG LEU A 28 7.356 4.572 -2.453 1.00 0.00 C ATOM 442 CD1 LEU A 28 6.074 5.333 -2.139 1.00 0.00 C ATOM 443 CD2 LEU A 28 8.573 5.361 -2.000 1.00 0.00 C ATOM 0 H LEU A 28 7.100 0.946 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 28 5.352 2.634 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.137 3.319 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.340 2.763 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 28 7.415 4.439 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.107 6.313 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.218 4.775 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.979 5.456 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.568 6.342 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.546 5.482 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.479 4.826 -2.282 1.00 0.00 H new ATOM 455 N PRO A 29 6.059 2.098 -4.791 1.00 0.00 N ATOM 456 CA PRO A 29 6.403 1.722 -6.142 1.00 0.00 C ATOM 457 C PRO A 29 7.554 2.572 -6.663 1.00 0.00 C ATOM 458 O PRO A 29 7.795 3.684 -6.171 1.00 0.00 O ATOM 459 CB PRO A 29 5.124 1.998 -6.928 1.00 0.00 C ATOM 460 CG PRO A 29 4.457 3.103 -6.188 1.00 0.00 C ATOM 461 CD PRO A 29 4.871 2.972 -4.744 1.00 0.00 C ATOM 0 HA PRO A 29 6.735 0.687 -6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.345 2.287 -7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.489 1.113 -6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.755 4.072 -6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.374 3.036 -6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.106 3.942 -4.307 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.077 2.534 -4.139 1.00 0.00 H new ATOM 469 N GLU A 30 8.222 2.081 -7.676 1.00 0.00 N ATOM 470 CA GLU A 30 9.388 2.738 -8.242 1.00 0.00 C ATOM 471 C GLU A 30 8.958 4.006 -9.020 1.00 0.00 C ATOM 472 O GLU A 30 9.754 4.900 -9.287 1.00 0.00 O ATOM 473 CB GLU A 30 10.118 1.751 -9.160 1.00 0.00 C ATOM 474 CG GLU A 30 11.528 2.156 -9.526 1.00 0.00 C ATOM 475 CD GLU A 30 12.435 2.186 -8.324 1.00 0.00 C ATOM 476 OE1 GLU A 30 12.477 3.213 -7.617 1.00 0.00 O ATOM 477 OE2 GLU A 30 13.121 1.182 -8.054 1.00 0.00 O ATOM 0 H GLU A 30 7.975 1.207 -8.140 1.00 0.00 H new ATOM 0 HA GLU A 30 10.064 3.048 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.149 0.777 -8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.539 1.631 -10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.926 1.459 -10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.513 3.140 -9.994 1.00 0.00 H new ATOM 484 N THR A 31 7.680 4.081 -9.335 1.00 0.00 N ATOM 485 CA THR A 31 7.110 5.216 -10.028 1.00 0.00 C ATOM 486 C THR A 31 6.820 6.368 -9.051 1.00 0.00 C ATOM 487 O THR A 31 6.317 7.423 -9.442 1.00 0.00 O ATOM 488 CB THR A 31 5.812 4.794 -10.718 1.00 0.00 C ATOM 489 OG1 THR A 31 4.972 4.169 -9.750 1.00 0.00 O ATOM 490 CG2 THR A 31 6.084 3.822 -11.851 1.00 0.00 C ATOM 0 H THR A 31 7.004 3.350 -9.115 1.00 0.00 H new ATOM 0 HA THR A 31 7.829 5.564 -10.769 1.00 0.00 H new ATOM 0 HB THR A 31 5.330 5.676 -11.139 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.133 3.893 -10.174 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.143 3.540 -12.322 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.732 4.295 -12.589 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.573 2.931 -11.457 1.00 0.00 H new ATOM 498 N GLY A 32 7.120 6.142 -7.785 1.00 0.00 N ATOM 499 CA GLY A 32 6.876 7.129 -6.778 1.00 0.00 C ATOM 500 C GLY A 32 5.493 6.978 -6.220 1.00 0.00 C ATOM 501 O GLY A 32 5.279 6.227 -5.281 1.00 0.00 O ATOM 0 H GLY A 32 7.534 5.276 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.610 7.030 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.997 8.126 -7.201 1.00 0.00 H new ATOM 505 N GLY A 33 4.555 7.661 -6.818 1.00 0.00 N ATOM 506 CA GLY A 33 3.187 7.558 -6.397 1.00 0.00 C ATOM 507 C GLY A 33 2.841 8.548 -5.312 1.00 0.00 C ATOM 508 O GLY A 33 3.660 9.403 -4.947 1.00 0.00 O ATOM 0 H GLY A 33 4.715 8.296 -7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.533 7.720 -7.254 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.996 6.547 -6.037 1.00 0.00 H new ATOM 512 N GLY A 34 1.648 8.440 -4.813 1.00 0.00 N ATOM 513 CA GLY A 34 1.168 9.310 -3.775 1.00 0.00 C ATOM 514 C GLY A 34 -0.272 9.006 -3.490 1.00 0.00 C ATOM 515 O GLY A 34 -1.162 9.814 -3.753 1.00 0.00 O ATOM 0 H GLY A 34 0.971 7.740 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.764 9.178 -2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.277 10.351 -4.080 1.00 0.00 H new TER 519 GLY A 34