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 Single : A 1 CYS N :NH3+ -154:sc=-0.00564 (180deg=-0.082) USER MOD Single : A 4 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc=-0.00161 X(o=-0.0016,f=-0.0052) USER MOD Single : A 6 GLN : amide:sc= -1.24 K(o=-1.2,f=-6!) USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.081 (180deg=-0.439) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.2 F(o=-1.1,f=-0.2) USER MOD Single : A 11 HIS : no HD1:sc= -0.0596 X(o=-0.06,f=-0.06) USER MOD Single : A 17 SER OG : rot -160:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.94 K(o=-1.9,f=-13!) USER MOD Single : A 24 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.1) USER MOD Single : A 25 LYS NZ :NH3+ -144:sc= 1.19 (180deg=0.35) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0631 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -1.025 6.599 -2.524 1.00 0.00 N ATOM 2 CA CYS A 1 -1.451 5.230 -2.363 1.00 0.00 C ATOM 3 C CYS A 1 -1.727 4.940 -0.912 1.00 0.00 C ATOM 4 O CYS A 1 -1.533 5.809 -0.049 1.00 0.00 O ATOM 5 CB CYS A 1 -0.343 4.307 -2.829 1.00 0.00 C ATOM 6 SG CYS A 1 0.313 4.697 -4.482 1.00 0.00 S ATOM 0 H3 CYS A 1 -1.255 6.923 -3.485 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.357 5.072 -2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 1 0.474 4.347 -2.108 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -0.716 3.283 -2.832 1.00 0.00 H new ATOM 11 N ARG A 2 -2.194 3.737 -0.642 1.00 0.00 N ATOM 12 CA ARG A 2 -2.371 3.277 0.721 1.00 0.00 C ATOM 13 C ARG A 2 -1.016 3.245 1.428 1.00 0.00 C ATOM 14 O ARG A 2 -0.018 2.842 0.825 1.00 0.00 O ATOM 15 CB ARG A 2 -3.020 1.888 0.720 1.00 0.00 C ATOM 16 CG ARG A 2 -3.350 1.320 2.097 1.00 0.00 C ATOM 17 CD ARG A 2 -4.251 2.248 2.928 1.00 0.00 C ATOM 18 NE ARG A 2 -5.439 2.703 2.195 1.00 0.00 N ATOM 19 CZ ARG A 2 -6.650 2.942 2.726 1.00 0.00 C ATOM 20 NH1 ARG A 2 -6.874 2.777 4.026 1.00 0.00 N ATOM 21 NH2 ARG A 2 -7.631 3.376 1.945 1.00 0.00 N ATOM 0 H ARG A 2 -2.459 3.056 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.028 3.961 1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.939 1.935 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.352 1.194 0.210 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.843 0.355 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.423 1.139 2.641 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.566 1.726 3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.673 3.116 3.247 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.336 2.851 1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.120 2.464 4.638 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.800 2.963 4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.463 3.526 0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.553 3.560 2.339 1.00 0.00 H new ATOM 35 N ILE A 3 -0.986 3.729 2.673 1.00 0.00 N ATOM 36 CA ILE A 3 0.227 3.745 3.493 1.00 0.00 C ATOM 37 C ILE A 3 0.926 2.375 3.512 1.00 0.00 C ATOM 38 O ILE A 3 0.271 1.323 3.707 1.00 0.00 O ATOM 39 CB ILE A 3 -0.038 4.232 4.948 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.169 3.422 5.612 1.00 0.00 C ATOM 41 CG2 ILE A 3 -0.340 5.725 4.962 1.00 0.00 C ATOM 42 CD1 ILE A 3 -1.429 3.782 7.063 1.00 0.00 C ATOM 0 H ILE A 3 -1.803 4.121 3.140 1.00 0.00 H new ATOM 0 HA ILE A 3 0.893 4.466 3.019 1.00 0.00 H new ATOM 0 HB ILE A 3 0.865 4.064 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.087 3.570 5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.924 2.362 5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.523 6.050 5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.510 6.272 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.224 5.923 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.239 3.165 7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.527 3.607 7.649 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.708 4.833 7.133 1.00 0.00 H new HETATM 54 N HYP A 4 2.265 2.376 3.355 1.00 0.00 N HETATM 55 CA HYP A 4 3.085 1.152 3.195 1.00 0.00 C HETATM 56 C HYP A 4 3.233 0.298 4.462 1.00 0.00 C HETATM 57 O HYP A 4 4.322 -0.249 4.754 1.00 0.00 O HETATM 58 CB HYP A 4 4.440 1.709 2.792 1.00 0.00 C HETATM 59 CG HYP A 4 4.491 3.037 3.433 1.00 0.00 C HETATM 60 CD HYP A 4 3.111 3.590 3.332 1.00 0.00 C HETATM 61 OD1 HYP A 4 5.361 3.894 2.724 1.00 0.00 O HETATM 0 HD23 HYP A 4 2.971 4.162 2.415 1.00 0.00 H new HETATM 0 HD22 HYP A 4 2.882 4.258 4.162 1.00 0.00 H new HETATM 0 HG HYP A 4 4.844 2.957 4.461 1.00 0.00 H new HETATM 0 HD1 HYP A 4 5.383 4.771 3.160 1.00 0.00 H new HETATM 0 HB3 HYP A 4 5.252 1.069 3.137 1.00 0.00 H new HETATM 0 HB2 HYP A 4 4.533 1.786 1.709 1.00 0.00 H new HETATM 0 HA HYP A 4 2.620 0.472 2.481 1.00 0.00 H new ATOM 69 N ASN A 5 2.158 0.127 5.169 1.00 0.00 N ATOM 70 CA ASN A 5 2.165 -0.672 6.371 1.00 0.00 C ATOM 71 C ASN A 5 0.941 -1.571 6.434 1.00 0.00 C ATOM 72 O ASN A 5 0.958 -2.621 7.100 1.00 0.00 O ATOM 73 CB ASN A 5 2.277 0.207 7.623 1.00 0.00 C ATOM 74 CG ASN A 5 2.411 -0.596 8.903 1.00 0.00 C ATOM 75 OD1 ASN A 5 1.417 -0.957 9.543 1.00 0.00 O ATOM 76 ND2 ASN A 5 3.625 -0.886 9.282 1.00 0.00 N ATOM 0 H ASN A 5 1.251 0.532 4.936 1.00 0.00 H new ATOM 0 HA ASN A 5 3.047 -1.312 6.341 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.140 0.865 7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.396 0.845 7.692 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.778 -1.428 10.132 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.421 -0.571 8.728 1.00 0.00 H new ATOM 83 N GLN A 6 -0.103 -1.186 5.726 1.00 0.00 N ATOM 84 CA GLN A 6 -1.312 -1.984 5.669 1.00 0.00 C ATOM 85 C GLN A 6 -1.064 -3.152 4.756 1.00 0.00 C ATOM 86 O GLN A 6 -0.087 -3.141 4.011 1.00 0.00 O ATOM 87 CB GLN A 6 -2.485 -1.157 5.135 1.00 0.00 C ATOM 88 CG GLN A 6 -2.847 0.053 5.984 1.00 0.00 C ATOM 89 CD GLN A 6 -3.370 -0.296 7.370 1.00 0.00 C ATOM 90 OE1 GLN A 6 -3.009 -1.314 7.971 1.00 0.00 O ATOM 91 NE2 GLN A 6 -4.216 0.535 7.879 1.00 0.00 N ATOM 0 H GLN A 6 -0.138 -0.324 5.182 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.567 -2.327 6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.244 -0.818 4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.360 -1.802 5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.967 0.687 6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.601 0.639 5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.493 1.366 7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.608 0.361 8.804 1.00 0.00 H new ATOM 100 N LYS A 7 -1.905 -4.148 4.803 1.00 0.00 N ATOM 101 CA LYS A 7 -1.738 -5.274 3.932 1.00 0.00 C ATOM 102 C LYS A 7 -2.233 -4.940 2.555 1.00 0.00 C ATOM 103 O LYS A 7 -2.855 -3.904 2.341 1.00 0.00 O ATOM 104 CB LYS A 7 -2.472 -6.503 4.421 1.00 0.00 C ATOM 105 CG LYS A 7 -2.093 -6.986 5.794 1.00 0.00 C ATOM 106 CD LYS A 7 -2.723 -8.333 6.050 1.00 0.00 C ATOM 107 CE LYS A 7 -1.958 -9.461 5.361 1.00 0.00 C ATOM 108 NZ LYS A 7 -0.598 -9.637 5.926 1.00 0.00 N ATOM 0 H LYS A 7 -2.707 -4.202 5.431 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.671 -5.498 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.541 -6.292 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.301 -7.312 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.009 -7.059 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.424 -6.270 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.756 -8.520 7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.754 -8.325 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.516 -10.392 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.883 -9.249 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.238 -10.580 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.036 -8.911 5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.637 -9.544 6.961 1.00 0.00 H new ATOM 122 N CYS A 8 -1.977 -5.807 1.642 1.00 0.00 N ATOM 123 CA CYS A 8 -2.444 -5.623 0.309 1.00 0.00 C ATOM 124 C CYS A 8 -3.378 -6.754 -0.026 1.00 0.00 C ATOM 125 O CYS A 8 -3.089 -7.929 0.255 1.00 0.00 O ATOM 126 CB CYS A 8 -1.280 -5.534 -0.676 1.00 0.00 C ATOM 127 SG CYS A 8 -0.193 -6.986 -0.680 1.00 0.00 S ATOM 0 H CYS A 8 -1.441 -6.661 1.793 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.983 -4.679 0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.679 -5.391 -1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.686 -4.651 -0.440 1.00 0.00 H new ATOM 132 N PHE A 9 -4.493 -6.425 -0.591 1.00 0.00 N ATOM 133 CA PHE A 9 -5.495 -7.402 -0.887 1.00 0.00 C ATOM 134 C PHE A 9 -5.854 -7.332 -2.340 1.00 0.00 C ATOM 135 O PHE A 9 -5.611 -6.315 -2.993 1.00 0.00 O ATOM 136 CB PHE A 9 -6.745 -7.177 -0.017 1.00 0.00 C ATOM 137 CG PHE A 9 -6.495 -7.299 1.465 1.00 0.00 C ATOM 138 CD1 PHE A 9 -6.567 -8.529 2.094 1.00 0.00 C ATOM 139 CD2 PHE A 9 -6.181 -6.184 2.224 1.00 0.00 C ATOM 140 CE1 PHE A 9 -6.331 -8.646 3.449 1.00 0.00 C ATOM 141 CE2 PHE A 9 -5.945 -6.296 3.575 1.00 0.00 C ATOM 142 CZ PHE A 9 -6.020 -7.529 4.190 1.00 0.00 C ATOM 0 H PHE A 9 -4.737 -5.472 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.098 -8.392 -0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.146 -6.185 -0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.510 -7.898 -0.306 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.811 -9.409 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.121 -5.215 1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.390 -9.613 3.927 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.701 -5.418 4.155 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.835 -7.617 5.250 1.00 0.00 H new ATOM 152 N GLN A 10 -6.443 -8.392 -2.838 1.00 0.00 N ATOM 153 CA GLN A 10 -6.880 -8.493 -4.229 1.00 0.00 C ATOM 154 C GLN A 10 -7.939 -7.457 -4.583 1.00 0.00 C ATOM 155 O GLN A 10 -8.070 -7.052 -5.736 1.00 0.00 O ATOM 156 CB GLN A 10 -7.385 -9.903 -4.513 1.00 0.00 C ATOM 157 CG GLN A 10 -6.273 -10.932 -4.601 1.00 0.00 C ATOM 158 CD GLN A 10 -5.299 -10.636 -5.736 1.00 0.00 C ATOM 159 OE1 GLN A 10 -5.798 -10.084 -6.820 1.00 0.00 O flip ATOM 160 NE2 GLN A 10 -4.108 -10.939 -5.645 1.00 0.00 N flip ATOM 0 H GLN A 10 -6.640 -9.228 -2.288 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.017 -8.285 -4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.082 -10.197 -3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.943 -9.900 -5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.730 -10.958 -3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.707 -11.921 -4.746 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.754 -11.366 -4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.476 -10.763 -6.426 1.00 0.00 H new ATOM 169 N HIS A 11 -8.659 -7.019 -3.587 1.00 0.00 N ATOM 170 CA HIS A 11 -9.700 -6.023 -3.759 1.00 0.00 C ATOM 171 C HIS A 11 -9.237 -4.641 -3.313 1.00 0.00 C ATOM 172 O HIS A 11 -10.018 -3.692 -3.303 1.00 0.00 O ATOM 173 CB HIS A 11 -10.980 -6.439 -3.004 1.00 0.00 C ATOM 174 CG HIS A 11 -10.766 -6.811 -1.555 1.00 0.00 C ATOM 175 ND1 HIS A 11 -10.753 -8.109 -1.097 1.00 0.00 N ATOM 176 CD2 HIS A 11 -10.555 -6.029 -0.467 1.00 0.00 C ATOM 177 CE1 HIS A 11 -10.539 -8.083 0.226 1.00 0.00 C ATOM 178 NE2 HIS A 11 -10.411 -6.836 0.659 1.00 0.00 N ATOM 0 H HIS A 11 -8.545 -7.340 -2.625 1.00 0.00 H new ATOM 0 HA HIS A 11 -9.927 -5.965 -4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -11.697 -5.619 -3.052 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -11.430 -7.287 -3.520 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.506 -4.950 -0.473 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -10.479 -8.959 0.854 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -10.242 -6.531 1.618 1.00 0.00 H new ATOM 186 N LEU A 12 -7.973 -4.518 -2.972 1.00 0.00 N ATOM 187 CA LEU A 12 -7.463 -3.267 -2.498 1.00 0.00 C ATOM 188 C LEU A 12 -6.784 -2.517 -3.628 1.00 0.00 C ATOM 189 O LEU A 12 -5.611 -2.742 -3.930 1.00 0.00 O ATOM 190 CB LEU A 12 -6.507 -3.465 -1.320 1.00 0.00 C ATOM 191 CG LEU A 12 -5.937 -2.190 -0.702 1.00 0.00 C ATOM 192 CD1 LEU A 12 -7.034 -1.339 -0.100 1.00 0.00 C ATOM 193 CD2 LEU A 12 -4.894 -2.513 0.335 1.00 0.00 C ATOM 0 H LEU A 12 -7.287 -5.272 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.302 -2.671 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.030 -4.020 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.676 -4.088 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.462 -1.620 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.599 -0.438 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.747 -1.061 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.547 -1.904 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.504 -1.588 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.341 -3.115 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.080 -3.070 -0.129 1.00 0.00 H new ATOM 205 N ASP A 13 -7.526 -1.640 -4.253 1.00 0.00 N ATOM 206 CA ASP A 13 -7.019 -0.854 -5.377 1.00 0.00 C ATOM 207 C ASP A 13 -6.564 0.495 -4.912 1.00 0.00 C ATOM 208 O ASP A 13 -6.294 1.389 -5.713 1.00 0.00 O ATOM 209 CB ASP A 13 -8.061 -0.700 -6.490 1.00 0.00 C ATOM 210 CG ASP A 13 -8.299 -1.974 -7.248 1.00 0.00 C ATOM 211 OD1 ASP A 13 -7.391 -2.421 -7.974 1.00 0.00 O ATOM 212 OD2 ASP A 13 -9.400 -2.557 -7.151 1.00 0.00 O ATOM 0 H ASP A 13 -8.496 -1.442 -4.008 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.170 -1.398 -5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.001 -0.360 -6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.732 0.074 -7.184 1.00 0.00 H new ATOM 217 N ASP A 14 -6.486 0.645 -3.612 1.00 0.00 N ATOM 218 CA ASP A 14 -6.027 1.885 -3.000 1.00 0.00 C ATOM 219 C ASP A 14 -4.497 1.931 -3.086 1.00 0.00 C ATOM 220 O ASP A 14 -3.867 2.984 -3.055 1.00 0.00 O ATOM 221 CB ASP A 14 -6.506 1.950 -1.557 1.00 0.00 C ATOM 222 CG ASP A 14 -6.368 3.312 -0.933 1.00 0.00 C ATOM 223 OD1 ASP A 14 -5.348 3.593 -0.332 1.00 0.00 O ATOM 224 OD2 ASP A 14 -7.345 4.099 -0.964 1.00 0.00 O ATOM 0 H ASP A 14 -6.737 -0.083 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.436 2.749 -3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.552 1.646 -1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.942 1.230 -0.964 1.00 0.00 H new ATOM 229 N CYS A 15 -3.908 0.759 -3.195 1.00 0.00 N ATOM 230 CA CYS A 15 -2.505 0.638 -3.493 1.00 0.00 C ATOM 231 C CYS A 15 -2.376 0.837 -4.985 1.00 0.00 C ATOM 232 O CYS A 15 -2.766 -0.044 -5.749 1.00 0.00 O ATOM 233 CB CYS A 15 -1.987 -0.747 -3.106 1.00 0.00 C ATOM 234 SG CYS A 15 -2.083 -1.112 -1.339 1.00 0.00 S ATOM 0 H CYS A 15 -4.391 -0.132 -3.079 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.922 1.370 -2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.556 -1.500 -3.652 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.949 -0.836 -3.427 1.00 0.00 H new ATOM 239 N CYS A 16 -1.843 1.982 -5.392 1.00 0.00 N ATOM 240 CA CYS A 16 -1.848 2.407 -6.789 1.00 0.00 C ATOM 241 C CYS A 16 -1.282 1.335 -7.737 1.00 0.00 C ATOM 242 O CYS A 16 -1.897 0.985 -8.732 1.00 0.00 O ATOM 243 CB CYS A 16 -1.046 3.692 -6.946 1.00 0.00 C ATOM 244 SG CYS A 16 -1.341 4.900 -5.631 1.00 0.00 S ATOM 0 H CYS A 16 -1.393 2.646 -4.761 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.889 2.574 -7.065 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.016 3.446 -6.970 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.290 4.147 -7.906 1.00 0.00 H new ATOM 249 N SER A 17 -0.146 0.769 -7.375 1.00 0.00 N ATOM 250 CA SER A 17 0.497 -0.220 -8.214 1.00 0.00 C ATOM 251 C SER A 17 0.195 -1.647 -7.744 1.00 0.00 C ATOM 252 O SER A 17 0.727 -2.615 -8.313 1.00 0.00 O ATOM 253 CB SER A 17 2.007 0.020 -8.213 1.00 0.00 C ATOM 254 OG SER A 17 2.309 1.343 -8.623 1.00 0.00 O ATOM 0 H SER A 17 0.348 0.978 -6.507 1.00 0.00 H new ATOM 0 HA SER A 17 0.102 -0.116 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.407 -0.156 -7.214 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.493 -0.692 -8.880 1.00 0.00 H new ATOM 0 HG SER A 17 3.242 1.389 -8.920 1.00 0.00 H new ATOM 260 N ARG A 18 -0.682 -1.771 -6.714 1.00 0.00 N ATOM 261 CA ARG A 18 -1.005 -3.068 -6.065 1.00 0.00 C ATOM 262 C ARG A 18 0.286 -3.776 -5.610 1.00 0.00 C ATOM 263 O ARG A 18 0.348 -5.007 -5.512 1.00 0.00 O ATOM 264 CB ARG A 18 -1.789 -3.952 -7.034 1.00 0.00 C ATOM 265 CG ARG A 18 -3.136 -3.389 -7.450 1.00 0.00 C ATOM 266 CD ARG A 18 -3.733 -4.229 -8.554 1.00 0.00 C ATOM 267 NE ARG A 18 -5.077 -3.793 -8.941 1.00 0.00 N ATOM 268 CZ ARG A 18 -5.698 -4.107 -10.088 1.00 0.00 C ATOM 269 NH1 ARG A 18 -5.068 -4.786 -11.045 1.00 0.00 N ATOM 270 NH2 ARG A 18 -6.948 -3.720 -10.269 1.00 0.00 N ATOM 0 H ARG A 18 -1.183 -0.978 -6.312 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.620 -2.881 -5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.186 -4.114 -7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.944 -4.927 -6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.810 -3.368 -6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.019 -2.360 -7.789 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.080 -4.191 -9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.773 -5.269 -8.231 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.583 -3.201 -8.283 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.099 -5.075 -10.912 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.555 -5.017 -11.911 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.428 -3.190 -9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.433 -3.951 -11.136 1.00 0.00 H new ATOM 284 N LYS A 19 1.276 -2.973 -5.268 1.00 0.00 N ATOM 285 CA LYS A 19 2.595 -3.452 -4.956 1.00 0.00 C ATOM 286 C LYS A 19 2.656 -3.911 -3.504 1.00 0.00 C ATOM 287 O LYS A 19 2.215 -3.200 -2.597 1.00 0.00 O ATOM 288 CB LYS A 19 3.615 -2.339 -5.238 1.00 0.00 C ATOM 289 CG LYS A 19 5.074 -2.770 -5.203 1.00 0.00 C ATOM 290 CD LYS A 19 5.385 -3.786 -6.280 1.00 0.00 C ATOM 291 CE LYS A 19 6.854 -4.149 -6.279 1.00 0.00 C ATOM 292 NZ LYS A 19 7.180 -5.145 -7.316 1.00 0.00 N ATOM 0 H LYS A 19 1.178 -1.960 -5.200 1.00 0.00 H new ATOM 0 HA LYS A 19 2.837 -4.311 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.402 -1.914 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.471 -1.543 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.714 -1.897 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.305 -3.194 -4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.786 -4.683 -6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.107 -3.384 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.449 -3.250 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.129 -4.542 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.196 -5.364 -7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.632 -6.013 -7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.942 -4.761 -8.253 1.00 0.00 H new ATOM 306 N CYS A 20 3.177 -5.088 -3.309 1.00 0.00 N ATOM 307 CA CYS A 20 3.267 -5.693 -2.007 1.00 0.00 C ATOM 308 C CYS A 20 4.708 -5.971 -1.660 1.00 0.00 C ATOM 309 O CYS A 20 5.549 -6.135 -2.555 1.00 0.00 O ATOM 310 CB CYS A 20 2.501 -7.012 -1.994 1.00 0.00 C ATOM 311 SG CYS A 20 0.751 -6.873 -2.455 1.00 0.00 S ATOM 0 H CYS A 20 3.557 -5.665 -4.059 1.00 0.00 H new ATOM 0 HA CYS A 20 2.839 -5.005 -1.278 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.989 -7.707 -2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.567 -7.446 -0.996 1.00 0.00 H new ATOM 316 N ASN A 21 5.008 -5.966 -0.387 1.00 0.00 N ATOM 317 CA ASN A 21 6.328 -6.333 0.089 1.00 0.00 C ATOM 318 C ASN A 21 6.313 -7.773 0.593 1.00 0.00 C ATOM 319 O ASN A 21 5.270 -8.444 0.541 1.00 0.00 O ATOM 320 CB ASN A 21 6.862 -5.367 1.188 1.00 0.00 C ATOM 321 CG ASN A 21 6.054 -5.318 2.486 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.383 -6.272 2.875 1.00 0.00 O ATOM 323 ND2 ASN A 21 6.156 -4.221 3.187 1.00 0.00 N ATOM 0 H ASN A 21 4.352 -5.710 0.350 1.00 0.00 H new ATOM 0 HA ASN A 21 7.015 -6.249 -0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.885 -5.654 1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.904 -4.361 0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.672 -4.140 4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.720 -3.445 2.840 1.00 0.00 H new ATOM 330 N ARG A 22 7.440 -8.221 1.134 1.00 0.00 N ATOM 331 CA ARG A 22 7.605 -9.598 1.628 1.00 0.00 C ATOM 332 C ARG A 22 6.658 -9.955 2.799 1.00 0.00 C ATOM 333 O ARG A 22 6.522 -11.121 3.156 1.00 0.00 O ATOM 334 CB ARG A 22 9.067 -9.847 2.033 1.00 0.00 C ATOM 335 CG ARG A 22 9.559 -8.914 3.119 1.00 0.00 C ATOM 336 CD ARG A 22 11.031 -9.109 3.425 1.00 0.00 C ATOM 337 NE ARG A 22 11.507 -8.108 4.387 1.00 0.00 N ATOM 338 CZ ARG A 22 12.584 -8.239 5.181 1.00 0.00 C ATOM 339 NH1 ARG A 22 13.355 -9.318 5.096 1.00 0.00 N ATOM 340 NH2 ARG A 22 12.895 -7.277 6.045 1.00 0.00 N ATOM 0 H ARG A 22 8.273 -7.643 1.246 1.00 0.00 H new ATOM 0 HA ARG A 22 7.331 -10.253 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.171 -10.877 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.703 -9.737 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.388 -7.882 2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.977 -9.078 4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.193 -10.109 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.610 -9.037 2.504 1.00 0.00 H new ATOM 0 HE ARG A 22 10.976 -7.240 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.131 -10.053 4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.171 -9.411 5.701 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.316 -6.439 6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.712 -7.377 6.647 1.00 0.00 H new ATOM 354 N PHE A 23 6.005 -8.970 3.378 1.00 0.00 N ATOM 355 CA PHE A 23 5.118 -9.208 4.503 1.00 0.00 C ATOM 356 C PHE A 23 3.666 -9.077 4.080 1.00 0.00 C ATOM 357 O PHE A 23 2.768 -9.006 4.930 1.00 0.00 O ATOM 358 CB PHE A 23 5.413 -8.222 5.636 1.00 0.00 C ATOM 359 CG PHE A 23 6.814 -8.300 6.148 1.00 0.00 C ATOM 360 CD1 PHE A 23 7.264 -9.438 6.791 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.687 -7.245 5.973 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.555 -9.519 7.253 1.00 0.00 C ATOM 363 CE2 PHE A 23 8.979 -7.321 6.434 1.00 0.00 C ATOM 364 CZ PHE A 23 9.416 -8.461 7.076 1.00 0.00 C ATOM 0 H PHE A 23 6.070 -7.994 3.089 1.00 0.00 H new ATOM 0 HA PHE A 23 5.292 -10.224 4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.220 -7.209 5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.723 -8.410 6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.593 -10.273 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.351 -6.351 5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.894 -10.413 7.755 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.652 -6.488 6.294 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.431 -8.523 7.439 1.00 0.00 H new ATOM 374 N ASN A 24 3.443 -9.026 2.753 1.00 0.00 N ATOM 375 CA ASN A 24 2.096 -8.890 2.146 1.00 0.00 C ATOM 376 C ASN A 24 1.525 -7.514 2.505 1.00 0.00 C ATOM 377 O ASN A 24 0.307 -7.296 2.543 1.00 0.00 O ATOM 378 CB ASN A 24 1.144 -10.027 2.614 1.00 0.00 C ATOM 379 CG ASN A 24 -0.161 -10.147 1.814 1.00 0.00 C ATOM 380 OD1 ASN A 24 -1.215 -10.479 2.369 1.00 0.00 O ATOM 381 ND2 ASN A 24 -0.098 -9.953 0.519 1.00 0.00 N ATOM 0 H ASN A 24 4.193 -9.078 2.064 1.00 0.00 H new ATOM 0 HA ASN A 24 2.184 -8.976 1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.678 -10.975 2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.897 -9.865 3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.931 -10.076 -0.056 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.784 -9.679 0.087 1.00 0.00 H new ATOM 388 N LYS A 25 2.424 -6.591 2.771 1.00 0.00 N ATOM 389 CA LYS A 25 2.058 -5.244 3.053 1.00 0.00 C ATOM 390 C LYS A 25 2.106 -4.442 1.801 1.00 0.00 C ATOM 391 O LYS A 25 2.772 -4.830 0.843 1.00 0.00 O ATOM 392 CB LYS A 25 2.941 -4.625 4.108 1.00 0.00 C ATOM 393 CG LYS A 25 2.769 -5.228 5.476 1.00 0.00 C ATOM 394 CD LYS A 25 3.641 -4.509 6.455 1.00 0.00 C ATOM 395 CE LYS A 25 3.471 -5.028 7.871 1.00 0.00 C ATOM 396 NZ LYS A 25 2.081 -4.875 8.365 1.00 0.00 N ATOM 0 H LYS A 25 3.428 -6.767 2.795 1.00 0.00 H new ATOM 0 HA LYS A 25 1.042 -5.248 3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.982 -4.730 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.731 -3.557 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.726 -5.161 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.027 -6.287 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.684 -4.615 6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.409 -3.444 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.752 -6.080 7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.151 -4.494 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.096 -4.644 9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.609 -4.109 7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.561 -5.764 8.220 1.00 0.00 H new ATOM 410 N CYS A 26 1.445 -3.344 1.813 1.00 0.00 N ATOM 411 CA CYS A 26 1.346 -2.500 0.660 1.00 0.00 C ATOM 412 C CYS A 26 2.557 -1.606 0.620 1.00 0.00 C ATOM 413 O CYS A 26 3.080 -1.249 1.667 1.00 0.00 O ATOM 414 CB CYS A 26 0.056 -1.665 0.749 1.00 0.00 C ATOM 415 SG CYS A 26 -0.253 -0.559 -0.669 1.00 0.00 S ATOM 0 H CYS A 26 0.947 -2.993 2.631 1.00 0.00 H new ATOM 0 HA CYS A 26 1.308 -3.096 -0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.791 -2.344 0.851 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.094 -1.063 1.657 1.00 0.00 H new ATOM 420 N VAL A 27 3.054 -1.320 -0.562 1.00 0.00 N ATOM 421 CA VAL A 27 4.159 -0.401 -0.732 1.00 0.00 C ATOM 422 C VAL A 27 3.931 0.465 -1.956 1.00 0.00 C ATOM 423 O VAL A 27 3.194 0.080 -2.887 1.00 0.00 O ATOM 424 CB VAL A 27 5.564 -1.094 -0.815 1.00 0.00 C ATOM 425 CG1 VAL A 27 5.970 -1.704 0.511 1.00 0.00 C ATOM 426 CG2 VAL A 27 5.596 -2.150 -1.889 1.00 0.00 C ATOM 0 H VAL A 27 2.704 -1.718 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 27 4.181 0.212 0.169 1.00 0.00 H new ATOM 0 HB VAL A 27 6.280 -0.312 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.948 -2.174 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.018 -0.924 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.236 -2.454 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.584 -2.609 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.848 -2.912 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.379 -1.693 -2.855 1.00 0.00 H new ATOM 436 N LEU A 28 4.522 1.628 -1.943 1.00 0.00 N ATOM 437 CA LEU A 28 4.392 2.582 -3.020 1.00 0.00 C ATOM 438 C LEU A 28 5.486 2.366 -4.055 1.00 0.00 C ATOM 439 O LEU A 28 6.550 1.805 -3.733 1.00 0.00 O ATOM 440 CB LEU A 28 4.445 4.042 -2.491 1.00 0.00 C ATOM 441 CG LEU A 28 3.214 4.571 -1.722 1.00 0.00 C ATOM 442 CD1 LEU A 28 2.969 3.833 -0.415 1.00 0.00 C ATOM 443 CD2 LEU A 28 3.344 6.056 -1.467 1.00 0.00 C ATOM 0 H LEU A 28 5.115 1.948 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 28 3.420 2.424 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.313 4.131 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.618 4.701 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 28 2.348 4.386 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.091 4.250 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.802 2.776 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.838 3.944 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.467 6.410 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.239 6.246 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.419 6.583 -2.418 1.00 0.00 H new ATOM 455 N PRO A 29 5.250 2.766 -5.315 1.00 0.00 N ATOM 456 CA PRO A 29 6.271 2.710 -6.354 1.00 0.00 C ATOM 457 C PRO A 29 7.321 3.820 -6.157 1.00 0.00 C ATOM 458 O PRO A 29 7.212 4.645 -5.223 1.00 0.00 O ATOM 459 CB PRO A 29 5.477 2.938 -7.643 1.00 0.00 C ATOM 460 CG PRO A 29 4.306 3.748 -7.221 1.00 0.00 C ATOM 461 CD PRO A 29 3.959 3.271 -5.840 1.00 0.00 C ATOM 0 HA PRO A 29 6.826 1.772 -6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.074 3.462 -8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.166 1.994 -8.090 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.546 4.811 -7.219 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.468 3.611 -7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.563 4.078 -5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.201 2.488 -5.864 1.00 0.00 H new ATOM 469 N GLU A 30 8.300 3.869 -7.040 1.00 0.00 N ATOM 470 CA GLU A 30 9.399 4.822 -6.948 1.00 0.00 C ATOM 471 C GLU A 30 8.898 6.264 -7.051 1.00 0.00 C ATOM 472 O GLU A 30 9.436 7.161 -6.426 1.00 0.00 O ATOM 473 CB GLU A 30 10.436 4.534 -8.037 1.00 0.00 C ATOM 474 CG GLU A 30 11.725 5.328 -7.899 1.00 0.00 C ATOM 475 CD GLU A 30 12.399 5.095 -6.567 1.00 0.00 C ATOM 476 OE1 GLU A 30 12.945 3.994 -6.346 1.00 0.00 O ATOM 477 OE2 GLU A 30 12.390 6.001 -5.707 1.00 0.00 O ATOM 0 H GLU A 30 8.359 3.248 -7.847 1.00 0.00 H new ATOM 0 HA GLU A 30 9.868 4.705 -5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.675 3.471 -8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.993 4.748 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.408 5.052 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.510 6.390 -8.014 1.00 0.00 H new ATOM 484 N THR A 31 7.850 6.468 -7.799 1.00 0.00 N ATOM 485 CA THR A 31 7.289 7.785 -7.971 1.00 0.00 C ATOM 486 C THR A 31 6.328 8.180 -6.827 1.00 0.00 C ATOM 487 O THR A 31 5.735 9.263 -6.849 1.00 0.00 O ATOM 488 CB THR A 31 6.608 7.889 -9.336 1.00 0.00 C ATOM 489 OG1 THR A 31 5.846 6.690 -9.564 1.00 0.00 O ATOM 490 CG2 THR A 31 7.635 8.064 -10.443 1.00 0.00 C ATOM 0 H THR A 31 7.360 5.731 -8.306 1.00 0.00 H new ATOM 0 HA THR A 31 8.111 8.500 -7.931 1.00 0.00 H new ATOM 0 HB THR A 31 5.953 8.760 -9.343 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.403 6.745 -10.436 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.126 8.135 -11.404 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.208 8.975 -10.267 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.309 7.208 -10.453 1.00 0.00 H new ATOM 498 N GLY A 32 6.192 7.307 -5.836 1.00 0.00 N ATOM 499 CA GLY A 32 5.336 7.584 -4.703 1.00 0.00 C ATOM 500 C GLY A 32 3.872 7.477 -5.050 1.00 0.00 C ATOM 501 O GLY A 32 3.389 6.403 -5.378 1.00 0.00 O ATOM 0 H GLY A 32 6.665 6.404 -5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.568 6.888 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.546 8.586 -4.329 1.00 0.00 H new ATOM 505 N GLY A 33 3.185 8.590 -5.012 1.00 0.00 N ATOM 506 CA GLY A 33 1.779 8.614 -5.313 1.00 0.00 C ATOM 507 C GLY A 33 0.949 8.643 -4.056 1.00 0.00 C ATOM 508 O GLY A 33 1.478 8.473 -2.944 1.00 0.00 O ATOM 0 H GLY A 33 3.582 9.499 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.551 9.489 -5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.517 7.737 -5.904 1.00 0.00 H new ATOM 512 N GLY A 34 -0.330 8.851 -4.210 1.00 0.00 N ATOM 513 CA GLY A 34 -1.225 8.886 -3.087 1.00 0.00 C ATOM 514 C GLY A 34 -1.841 7.536 -2.888 1.00 0.00 C ATOM 515 O GLY A 34 -3.041 7.345 -3.090 1.00 0.00 O ATOM 0 H GLY A 34 -0.779 9.000 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.685 9.185 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.004 9.630 -3.254 1.00 0.00 H new TER 519 GLY A 34