USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, 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 4 HYP H : A 4 HYP N : A 3 ILE C :(H bumps) USER MOD Single : A 1 CYS N :NH3+ -138:sc= 0.127 (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=-2.8!) USER MOD Single : A 6 GLN : amide:sc= 0.455 K(o=0.45,f=-0.39) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.052) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 11 HIS : no HD1:sc= -0.86 K(o=-0.86,f=-1.9!) USER MOD Single : A 17 SER OG : rot -159:sc= -0.642 USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0245 (180deg=-0.194) USER MOD Single : A 21 ASN : amide:sc= 0.165 K(o=0.16,f=-10!) USER MOD Single : A 24 ASN : amide:sc= 1.17 K(o=1.2,f=-0.07) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0309) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 2.121 7.012 -2.299 1.00 0.00 N ATOM 2 CA CYS A 1 1.056 6.028 -2.420 1.00 0.00 C ATOM 3 C CYS A 1 0.342 5.928 -1.070 1.00 0.00 C ATOM 4 O CYS A 1 0.377 6.885 -0.271 1.00 0.00 O ATOM 5 CB CYS A 1 1.680 4.663 -2.796 1.00 0.00 C ATOM 6 SG CYS A 1 0.500 3.364 -3.335 1.00 0.00 S ATOM 0 H2 CYS A 1 2.142 7.608 -3.151 1.00 0.00 H new ATOM 0 H3 CYS A 1 1.950 7.608 -1.464 1.00 0.00 H new ATOM 0 HA CYS A 1 0.342 6.318 -3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 1 2.404 4.824 -3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 1 2.234 4.289 -1.935 1.00 0.00 H new ATOM 11 N ARG A 2 -0.313 4.798 -0.831 1.00 0.00 N ATOM 12 CA ARG A 2 -0.964 4.481 0.435 1.00 0.00 C ATOM 13 C ARG A 2 0.028 4.479 1.589 1.00 0.00 C ATOM 14 O ARG A 2 1.252 4.674 1.419 1.00 0.00 O ATOM 15 CB ARG A 2 -1.577 3.081 0.367 1.00 0.00 C ATOM 16 CG ARG A 2 -2.685 2.917 -0.631 1.00 0.00 C ATOM 17 CD ARG A 2 -3.897 3.739 -0.257 1.00 0.00 C ATOM 18 NE ARG A 2 -4.464 3.324 1.025 1.00 0.00 N ATOM 19 CZ ARG A 2 -4.665 4.127 2.078 1.00 0.00 C ATOM 20 NH1 ARG A 2 -4.350 5.428 2.019 1.00 0.00 N ATOM 21 NH2 ARG A 2 -5.200 3.633 3.177 1.00 0.00 N ATOM 0 H ARG A 2 -0.409 4.059 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.725 5.243 0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.788 2.367 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.957 2.820 1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.333 3.215 -1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.964 1.865 -0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.620 4.792 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.654 3.645 -1.036 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.728 2.344 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.952 5.818 1.165 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.508 6.028 2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.457 2.647 3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.357 4.237 3.984 1.00 0.00 H new ATOM 35 N ILE A 3 -0.486 4.236 2.753 1.00 0.00 N ATOM 36 CA ILE A 3 0.347 4.123 3.907 1.00 0.00 C ATOM 37 C ILE A 3 1.036 2.750 3.857 1.00 0.00 C ATOM 38 O ILE A 3 0.380 1.736 3.598 1.00 0.00 O ATOM 39 CB ILE A 3 -0.434 4.369 5.231 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.652 3.449 5.340 1.00 0.00 C ATOM 41 CG2 ILE A 3 -0.860 5.829 5.309 1.00 0.00 C ATOM 42 CD1 ILE A 3 -2.507 3.683 6.566 1.00 0.00 C ATOM 0 H ILE A 3 -1.483 4.112 2.929 1.00 0.00 H new ATOM 0 HA ILE A 3 1.106 4.905 3.895 1.00 0.00 H new ATOM 0 HB ILE A 3 0.226 4.140 6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.270 3.578 4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.311 2.414 5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.407 5.999 6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.023 6.467 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.502 6.067 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.347 2.988 6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.908 3.524 7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.883 4.706 6.558 1.00 0.00 H new HETATM 54 N HYP A 4 2.354 2.685 4.087 1.00 0.00 N HETATM 55 CA HYP A 4 3.154 1.473 3.841 1.00 0.00 C HETATM 56 C HYP A 4 2.997 0.380 4.901 1.00 0.00 C HETATM 57 O HYP A 4 3.906 -0.431 5.113 1.00 0.00 O HETATM 58 CB HYP A 4 4.601 2.007 3.806 1.00 0.00 C HETATM 59 CG HYP A 4 4.467 3.494 3.925 1.00 0.00 C HETATM 60 CD HYP A 4 3.195 3.737 4.645 1.00 0.00 C HETATM 61 OD1 HYP A 4 4.346 4.092 2.642 1.00 0.00 O HETATM 0 HD23 HYP A 4 2.795 4.732 4.450 1.00 0.00 H new HETATM 0 HD22 HYP A 4 3.308 3.645 5.725 1.00 0.00 H new HETATM 0 HG HYP A 4 5.338 3.910 4.431 1.00 0.00 H new HETATM 0 HD1 HYP A 4 4.258 5.063 2.741 1.00 0.00 H new HETATM 0 HB3 HYP A 4 5.193 1.597 4.624 1.00 0.00 H new HETATM 0 HB2 HYP A 4 5.102 1.729 2.879 1.00 0.00 H new HETATM 0 HA HYP A 4 2.834 0.975 2.925 1.00 0.00 H new ATOM 69 N ASN A 5 1.867 0.349 5.555 1.00 0.00 N ATOM 70 CA ASN A 5 1.574 -0.714 6.484 1.00 0.00 C ATOM 71 C ASN A 5 0.250 -1.364 6.129 1.00 0.00 C ATOM 72 O ASN A 5 -0.223 -2.256 6.836 1.00 0.00 O ATOM 73 CB ASN A 5 1.594 -0.257 7.958 1.00 0.00 C ATOM 74 CG ASN A 5 0.465 0.680 8.361 1.00 0.00 C ATOM 75 OD1 ASN A 5 -0.036 1.471 7.563 1.00 0.00 O ATOM 76 ND2 ASN A 5 0.067 0.595 9.610 1.00 0.00 N ATOM 0 H ASN A 5 1.131 1.049 5.463 1.00 0.00 H new ATOM 0 HA ASN A 5 2.373 -1.450 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.557 -1.140 8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.544 0.239 8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -0.683 1.198 9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.508 -0.074 10.241 1.00 0.00 H new ATOM 83 N GLN A 6 -0.347 -0.914 5.016 1.00 0.00 N ATOM 84 CA GLN A 6 -1.584 -1.510 4.508 1.00 0.00 C ATOM 85 C GLN A 6 -1.316 -2.933 4.103 1.00 0.00 C ATOM 86 O GLN A 6 -0.243 -3.233 3.581 1.00 0.00 O ATOM 87 CB GLN A 6 -2.119 -0.755 3.272 1.00 0.00 C ATOM 88 CG GLN A 6 -2.674 0.623 3.541 1.00 0.00 C ATOM 89 CD GLN A 6 -3.906 0.584 4.411 1.00 0.00 C ATOM 90 OE1 GLN A 6 -3.824 0.633 5.626 1.00 0.00 O ATOM 91 NE2 GLN A 6 -5.055 0.497 3.800 1.00 0.00 N ATOM 0 H GLN A 6 0.008 -0.141 4.454 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.328 -1.455 5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.312 -0.667 2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.900 -1.358 2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.910 1.232 4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.916 1.106 2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.089 0.458 2.781 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.919 0.468 4.341 1.00 0.00 H new ATOM 100 N LYS A 7 -2.247 -3.797 4.349 1.00 0.00 N ATOM 101 CA LYS A 7 -2.109 -5.152 3.925 1.00 0.00 C ATOM 102 C LYS A 7 -2.754 -5.292 2.585 1.00 0.00 C ATOM 103 O LYS A 7 -3.917 -4.932 2.406 1.00 0.00 O ATOM 104 CB LYS A 7 -2.719 -6.135 4.930 1.00 0.00 C ATOM 105 CG LYS A 7 -1.989 -6.196 6.274 1.00 0.00 C ATOM 106 CD LYS A 7 -0.528 -6.653 6.131 1.00 0.00 C ATOM 107 CE LYS A 7 -0.406 -8.092 5.617 1.00 0.00 C ATOM 108 NZ LYS A 7 -0.954 -9.079 6.569 1.00 0.00 N ATOM 0 H LYS A 7 -3.114 -3.587 4.843 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.049 -5.398 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.758 -5.858 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.726 -7.131 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.014 -5.212 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.516 -6.879 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.007 -5.982 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.030 -6.573 7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.929 -8.180 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.643 -8.319 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.743 -10.040 6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.522 -8.936 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.984 -8.956 6.642 1.00 0.00 H new ATOM 122 N CYS A 8 -2.015 -5.754 1.650 1.00 0.00 N ATOM 123 CA CYS A 8 -2.513 -5.936 0.335 1.00 0.00 C ATOM 124 C CYS A 8 -2.129 -7.304 -0.146 1.00 0.00 C ATOM 125 O CYS A 8 -1.130 -7.877 0.304 1.00 0.00 O ATOM 126 CB CYS A 8 -1.976 -4.851 -0.598 1.00 0.00 C ATOM 127 SG CYS A 8 -0.164 -4.773 -0.681 1.00 0.00 S ATOM 0 H CYS A 8 -1.038 -6.020 1.773 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.600 -5.852 0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.368 -5.023 -1.601 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.356 -3.884 -0.269 1.00 0.00 H new ATOM 132 N PHE A 9 -2.929 -7.839 -0.998 1.00 0.00 N ATOM 133 CA PHE A 9 -2.717 -9.126 -1.572 1.00 0.00 C ATOM 134 C PHE A 9 -2.831 -8.974 -3.073 1.00 0.00 C ATOM 135 O PHE A 9 -2.774 -7.848 -3.582 1.00 0.00 O ATOM 136 CB PHE A 9 -3.759 -10.117 -1.028 1.00 0.00 C ATOM 137 CG PHE A 9 -3.678 -10.338 0.467 1.00 0.00 C ATOM 138 CD1 PHE A 9 -2.853 -11.317 0.984 1.00 0.00 C ATOM 139 CD2 PHE A 9 -4.426 -9.565 1.354 1.00 0.00 C ATOM 140 CE1 PHE A 9 -2.769 -11.527 2.343 1.00 0.00 C ATOM 141 CE2 PHE A 9 -4.345 -9.773 2.712 1.00 0.00 C ATOM 142 CZ PHE A 9 -3.516 -10.756 3.208 1.00 0.00 C ATOM 0 H PHE A 9 -3.778 -7.380 -1.328 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.733 -9.518 -1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.756 -9.753 -1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.633 -11.074 -1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.265 -11.927 0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.077 -8.793 0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.118 -12.296 2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.930 -9.167 3.388 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.452 -10.922 4.273 1.00 0.00 H new ATOM 152 N GLN A 10 -2.963 -10.061 -3.793 1.00 0.00 N ATOM 153 CA GLN A 10 -3.098 -9.957 -5.230 1.00 0.00 C ATOM 154 C GLN A 10 -4.478 -9.445 -5.629 1.00 0.00 C ATOM 155 O GLN A 10 -4.583 -8.484 -6.369 1.00 0.00 O ATOM 156 CB GLN A 10 -2.750 -11.269 -5.938 1.00 0.00 C ATOM 157 CG GLN A 10 -3.521 -12.477 -5.464 1.00 0.00 C ATOM 158 CD GLN A 10 -3.167 -13.712 -6.230 1.00 0.00 C ATOM 159 OE1 GLN A 10 -2.831 -13.651 -7.408 1.00 0.00 O ATOM 160 NE2 GLN A 10 -3.220 -14.826 -5.585 1.00 0.00 N ATOM 0 H GLN A 10 -2.980 -11.010 -3.420 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.370 -9.218 -5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.923 -11.144 -7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.685 -11.463 -5.808 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.322 -12.640 -4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.589 -12.285 -5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.504 -14.835 -4.605 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.978 -15.699 -6.054 1.00 0.00 H new ATOM 169 N HIS A 11 -5.525 -10.042 -5.088 1.00 0.00 N ATOM 170 CA HIS A 11 -6.886 -9.635 -5.422 1.00 0.00 C ATOM 171 C HIS A 11 -7.363 -8.569 -4.469 1.00 0.00 C ATOM 172 O HIS A 11 -8.167 -7.712 -4.823 1.00 0.00 O ATOM 173 CB HIS A 11 -7.847 -10.829 -5.405 1.00 0.00 C ATOM 174 CG HIS A 11 -7.568 -11.863 -6.456 1.00 0.00 C ATOM 175 ND1 HIS A 11 -6.790 -12.987 -6.253 1.00 0.00 N ATOM 176 CD2 HIS A 11 -8.007 -11.941 -7.733 1.00 0.00 C ATOM 177 CE1 HIS A 11 -6.781 -13.699 -7.388 1.00 0.00 C ATOM 178 NE2 HIS A 11 -7.512 -13.106 -8.320 1.00 0.00 N ATOM 0 H HIS A 11 -5.464 -10.808 -4.417 1.00 0.00 H new ATOM 0 HA HIS A 11 -6.874 -9.228 -6.433 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -7.801 -11.303 -4.425 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.865 -10.462 -5.534 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -8.641 -11.216 -8.221 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -6.250 -14.630 -7.524 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -7.679 -13.434 -9.271 1.00 0.00 H new ATOM 186 N LEU A 12 -6.859 -8.616 -3.260 1.00 0.00 N ATOM 187 CA LEU A 12 -7.200 -7.628 -2.266 1.00 0.00 C ATOM 188 C LEU A 12 -6.202 -6.499 -2.331 1.00 0.00 C ATOM 189 O LEU A 12 -5.207 -6.488 -1.616 1.00 0.00 O ATOM 190 CB LEU A 12 -7.264 -8.211 -0.834 1.00 0.00 C ATOM 191 CG LEU A 12 -8.373 -9.237 -0.508 1.00 0.00 C ATOM 192 CD1 LEU A 12 -8.180 -10.560 -1.237 1.00 0.00 C ATOM 193 CD2 LEU A 12 -8.436 -9.465 0.985 1.00 0.00 C ATOM 0 H LEU A 12 -6.207 -9.332 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.202 -7.262 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.304 -8.682 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.369 -7.377 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.317 -8.819 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.987 -11.243 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.190 -10.387 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.224 -10.998 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.219 -10.189 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.477 -9.847 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.657 -8.524 1.488 1.00 0.00 H new ATOM 205 N ASP A 13 -6.425 -5.604 -3.242 1.00 0.00 N ATOM 206 CA ASP A 13 -5.535 -4.485 -3.449 1.00 0.00 C ATOM 207 C ASP A 13 -6.125 -3.204 -2.923 1.00 0.00 C ATOM 208 O ASP A 13 -7.323 -2.928 -3.102 1.00 0.00 O ATOM 209 CB ASP A 13 -5.160 -4.334 -4.928 1.00 0.00 C ATOM 210 CG ASP A 13 -4.419 -3.035 -5.221 1.00 0.00 C ATOM 211 OD1 ASP A 13 -3.376 -2.779 -4.604 1.00 0.00 O ATOM 212 OD2 ASP A 13 -4.880 -2.256 -6.097 1.00 0.00 O ATOM 0 H ASP A 13 -7.229 -5.621 -3.869 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.625 -4.694 -2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.538 -5.177 -5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.065 -4.375 -5.533 1.00 0.00 H new ATOM 217 N ASP A 14 -5.295 -2.446 -2.270 1.00 0.00 N ATOM 218 CA ASP A 14 -5.653 -1.146 -1.731 1.00 0.00 C ATOM 219 C ASP A 14 -4.615 -0.129 -2.192 1.00 0.00 C ATOM 220 O ASP A 14 -4.741 1.069 -1.963 1.00 0.00 O ATOM 221 CB ASP A 14 -5.705 -1.210 -0.182 1.00 0.00 C ATOM 222 CG ASP A 14 -6.082 0.110 0.496 1.00 0.00 C ATOM 223 OD1 ASP A 14 -7.274 0.510 0.448 1.00 0.00 O ATOM 224 OD2 ASP A 14 -5.212 0.754 1.124 1.00 0.00 O ATOM 0 H ASP A 14 -4.327 -2.710 -2.088 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.639 -0.849 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.424 -1.974 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.731 -1.529 0.189 1.00 0.00 H new ATOM 229 N CYS A 15 -3.653 -0.610 -2.938 1.00 0.00 N ATOM 230 CA CYS A 15 -2.502 0.164 -3.303 1.00 0.00 C ATOM 231 C CYS A 15 -2.651 0.817 -4.657 1.00 0.00 C ATOM 232 O CYS A 15 -3.643 0.632 -5.361 1.00 0.00 O ATOM 233 CB CYS A 15 -1.284 -0.732 -3.294 1.00 0.00 C ATOM 234 SG CYS A 15 -1.015 -1.530 -1.709 1.00 0.00 S ATOM 0 H CYS A 15 -3.650 -1.559 -3.311 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.392 0.967 -2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.395 -1.495 -4.065 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.404 -0.143 -3.552 1.00 0.00 H new ATOM 239 N CYS A 16 -1.653 1.581 -5.014 1.00 0.00 N ATOM 240 CA CYS A 16 -1.635 2.297 -6.260 1.00 0.00 C ATOM 241 C CYS A 16 -1.222 1.375 -7.412 1.00 0.00 C ATOM 242 O CYS A 16 -1.685 1.519 -8.536 1.00 0.00 O ATOM 243 CB CYS A 16 -0.633 3.434 -6.143 1.00 0.00 C ATOM 244 SG CYS A 16 -0.762 4.355 -4.577 1.00 0.00 S ATOM 0 H CYS A 16 -0.821 1.725 -4.441 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.634 2.681 -6.469 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.375 3.031 -6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.779 4.124 -6.974 1.00 0.00 H new ATOM 249 N SER A 17 -0.351 0.423 -7.125 1.00 0.00 N ATOM 250 CA SER A 17 0.190 -0.429 -8.168 1.00 0.00 C ATOM 251 C SER A 17 0.190 -1.907 -7.748 1.00 0.00 C ATOM 252 O SER A 17 0.964 -2.696 -8.283 1.00 0.00 O ATOM 253 CB SER A 17 1.624 0.023 -8.439 1.00 0.00 C ATOM 254 OG SER A 17 1.686 1.432 -8.600 1.00 0.00 O ATOM 0 H SER A 17 -0.006 0.222 -6.186 1.00 0.00 H new ATOM 0 HA SER A 17 -0.430 -0.342 -9.060 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.268 -0.282 -7.614 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.001 -0.467 -9.337 1.00 0.00 H new ATOM 0 HG SER A 17 2.502 1.670 -9.088 1.00 0.00 H new ATOM 260 N ARG A 18 -0.703 -2.280 -6.809 1.00 0.00 N ATOM 261 CA ARG A 18 -0.768 -3.647 -6.213 1.00 0.00 C ATOM 262 C ARG A 18 0.604 -4.147 -5.711 1.00 0.00 C ATOM 263 O ARG A 18 0.830 -5.352 -5.595 1.00 0.00 O ATOM 264 CB ARG A 18 -1.339 -4.650 -7.215 1.00 0.00 C ATOM 265 CG ARG A 18 -2.660 -4.237 -7.808 1.00 0.00 C ATOM 266 CD ARG A 18 -3.261 -5.337 -8.628 1.00 0.00 C ATOM 267 NE ARG A 18 -2.354 -5.796 -9.684 1.00 0.00 N ATOM 268 CZ ARG A 18 -2.430 -6.969 -10.325 1.00 0.00 C ATOM 269 NH1 ARG A 18 -3.410 -7.826 -10.050 1.00 0.00 N ATOM 270 NH2 ARG A 18 -1.511 -7.277 -11.235 1.00 0.00 N ATOM 0 H ARG A 18 -1.407 -1.644 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.429 -3.571 -5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.619 -4.793 -8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.460 -5.614 -6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.348 -3.960 -7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.520 -3.353 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.515 -6.175 -7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.191 -4.988 -9.076 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.598 -5.166 -9.954 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.110 -7.591 -9.346 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.461 -8.718 -10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.756 -6.622 -11.440 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.561 -8.168 -11.728 1.00 0.00 H new ATOM 284 N LYS A 19 1.495 -3.231 -5.395 1.00 0.00 N ATOM 285 CA LYS A 19 2.820 -3.597 -4.968 1.00 0.00 C ATOM 286 C LYS A 19 2.872 -3.883 -3.503 1.00 0.00 C ATOM 287 O LYS A 19 2.774 -2.989 -2.661 1.00 0.00 O ATOM 288 CB LYS A 19 3.872 -2.583 -5.403 1.00 0.00 C ATOM 289 CG LYS A 19 4.207 -2.688 -6.879 1.00 0.00 C ATOM 290 CD LYS A 19 5.173 -1.603 -7.322 1.00 0.00 C ATOM 291 CE LYS A 19 5.631 -1.804 -8.767 1.00 0.00 C ATOM 292 NZ LYS A 19 6.441 -3.034 -8.935 1.00 0.00 N ATOM 0 H LYS A 19 1.321 -2.226 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 19 3.070 -4.527 -5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.513 -1.577 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.779 -2.731 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.642 -3.666 -7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.290 -2.618 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.694 -0.629 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.041 -1.599 -6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.759 -1.854 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.216 -0.940 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.909 -3.017 -9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.160 -3.081 -8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.823 -3.868 -8.874 1.00 0.00 H new ATOM 306 N CYS A 20 3.005 -5.133 -3.227 1.00 0.00 N ATOM 307 CA CYS A 20 3.044 -5.639 -1.891 1.00 0.00 C ATOM 308 C CYS A 20 4.383 -6.296 -1.658 1.00 0.00 C ATOM 309 O CYS A 20 4.892 -7.020 -2.537 1.00 0.00 O ATOM 310 CB CYS A 20 1.931 -6.665 -1.718 1.00 0.00 C ATOM 311 SG CYS A 20 0.294 -6.043 -2.189 1.00 0.00 S ATOM 0 H CYS A 20 3.092 -5.856 -3.941 1.00 0.00 H new ATOM 0 HA CYS A 20 2.905 -4.829 -1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.163 -7.545 -2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.903 -6.987 -0.677 1.00 0.00 H new ATOM 316 N ASN A 21 4.970 -6.042 -0.521 1.00 0.00 N ATOM 317 CA ASN A 21 6.250 -6.634 -0.183 1.00 0.00 C ATOM 318 C ASN A 21 6.072 -8.062 0.337 1.00 0.00 C ATOM 319 O ASN A 21 4.952 -8.579 0.392 1.00 0.00 O ATOM 320 CB ASN A 21 7.043 -5.766 0.833 1.00 0.00 C ATOM 321 CG ASN A 21 6.398 -5.594 2.218 1.00 0.00 C ATOM 322 OD1 ASN A 21 5.645 -6.435 2.694 1.00 0.00 O ATOM 323 ND2 ASN A 21 6.734 -4.529 2.884 1.00 0.00 N ATOM 0 H ASN A 21 4.586 -5.426 0.196 1.00 0.00 H new ATOM 0 HA ASN A 21 6.839 -6.674 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.030 -6.208 0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.192 -4.778 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.369 -4.379 3.825 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.363 -3.843 2.466 1.00 0.00 H new ATOM 330 N ARG A 22 7.178 -8.684 0.721 1.00 0.00 N ATOM 331 CA ARG A 22 7.206 -10.054 1.265 1.00 0.00 C ATOM 332 C ARG A 22 6.299 -10.250 2.507 1.00 0.00 C ATOM 333 O ARG A 22 5.902 -11.370 2.821 1.00 0.00 O ATOM 334 CB ARG A 22 8.658 -10.526 1.573 1.00 0.00 C ATOM 335 CG ARG A 22 9.426 -9.775 2.689 1.00 0.00 C ATOM 336 CD ARG A 22 9.776 -8.336 2.314 1.00 0.00 C ATOM 337 NE ARG A 22 10.538 -7.658 3.358 1.00 0.00 N ATOM 338 CZ ARG A 22 10.689 -6.324 3.480 1.00 0.00 C ATOM 339 NH1 ARG A 22 10.230 -5.500 2.541 1.00 0.00 N ATOM 340 NH2 ARG A 22 11.360 -5.835 4.512 1.00 0.00 N ATOM 0 H ARG A 22 8.101 -8.253 0.666 1.00 0.00 H new ATOM 0 HA ARG A 22 6.794 -10.681 0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.620 -11.582 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.239 -10.451 0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.823 -9.771 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.343 -10.317 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.352 -8.335 1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.858 -7.781 2.119 1.00 0.00 H new ATOM 0 HE ARG A 22 10.996 -8.244 4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.758 -5.876 1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.350 -4.492 2.644 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.758 -6.467 5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.479 -4.827 4.612 1.00 0.00 H new ATOM 354 N PHE A 23 5.960 -9.176 3.187 1.00 0.00 N ATOM 355 CA PHE A 23 5.103 -9.260 4.361 1.00 0.00 C ATOM 356 C PHE A 23 3.678 -8.853 4.010 1.00 0.00 C ATOM 357 O PHE A 23 2.825 -8.717 4.890 1.00 0.00 O ATOM 358 CB PHE A 23 5.634 -8.378 5.499 1.00 0.00 C ATOM 359 CG PHE A 23 6.980 -8.791 6.019 1.00 0.00 C ATOM 360 CD1 PHE A 23 7.159 -10.035 6.598 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.062 -7.931 5.947 1.00 0.00 C ATOM 362 CE1 PHE A 23 8.388 -10.416 7.091 1.00 0.00 C ATOM 363 CE2 PHE A 23 9.296 -8.308 6.440 1.00 0.00 C ATOM 364 CZ PHE A 23 9.460 -9.551 7.010 1.00 0.00 C ATOM 0 H PHE A 23 6.263 -8.231 2.951 1.00 0.00 H new ATOM 0 HA PHE A 23 5.104 -10.296 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.693 -7.348 5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.918 -8.395 6.321 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.324 -10.717 6.664 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.940 -6.955 5.501 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.512 -11.390 7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 23 10.133 -7.628 6.378 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.425 -9.848 7.393 1.00 0.00 H new ATOM 374 N ASN A 24 3.437 -8.658 2.713 1.00 0.00 N ATOM 375 CA ASN A 24 2.135 -8.244 2.174 1.00 0.00 C ATOM 376 C ASN A 24 1.744 -6.854 2.598 1.00 0.00 C ATOM 377 O ASN A 24 0.563 -6.502 2.627 1.00 0.00 O ATOM 378 CB ASN A 24 1.017 -9.272 2.416 1.00 0.00 C ATOM 379 CG ASN A 24 1.034 -10.376 1.378 1.00 0.00 C ATOM 380 OD1 ASN A 24 1.708 -11.391 1.531 1.00 0.00 O ATOM 381 ND2 ASN A 24 0.295 -10.192 0.319 1.00 0.00 N ATOM 0 H ASN A 24 4.150 -8.784 1.994 1.00 0.00 H new ATOM 0 HA ASN A 24 2.269 -8.208 1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.131 -9.705 3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.050 -8.769 2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.266 -10.903 -0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.253 -9.337 0.222 1.00 0.00 H new ATOM 388 N LYS A 25 2.741 -6.054 2.893 1.00 0.00 N ATOM 389 CA LYS A 25 2.527 -4.672 3.153 1.00 0.00 C ATOM 390 C LYS A 25 2.637 -3.902 1.881 1.00 0.00 C ATOM 391 O LYS A 25 3.456 -4.238 1.003 1.00 0.00 O ATOM 392 CB LYS A 25 3.489 -4.107 4.175 1.00 0.00 C ATOM 393 CG LYS A 25 3.117 -4.391 5.605 1.00 0.00 C ATOM 394 CD LYS A 25 4.081 -3.687 6.519 1.00 0.00 C ATOM 395 CE LYS A 25 3.670 -3.776 7.980 1.00 0.00 C ATOM 396 NZ LYS A 25 3.566 -5.163 8.459 1.00 0.00 N ATOM 0 H LYS A 25 3.714 -6.352 2.956 1.00 0.00 H new ATOM 0 HA LYS A 25 1.526 -4.577 3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.482 -4.513 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.554 -3.028 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.099 -4.054 5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.139 -5.465 5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.074 -4.120 6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.153 -2.639 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.396 -3.239 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.710 -3.277 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.366 -5.164 9.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.796 -5.647 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.462 -5.660 8.281 1.00 0.00 H new ATOM 410 N CYS A 26 1.804 -2.928 1.770 1.00 0.00 N ATOM 411 CA CYS A 26 1.754 -2.050 0.645 1.00 0.00 C ATOM 412 C CYS A 26 3.021 -1.215 0.603 1.00 0.00 C ATOM 413 O CYS A 26 3.392 -0.574 1.601 1.00 0.00 O ATOM 414 CB CYS A 26 0.538 -1.146 0.792 1.00 0.00 C ATOM 415 SG CYS A 26 0.101 -0.197 -0.686 1.00 0.00 S ATOM 0 H CYS A 26 1.111 -2.709 2.485 1.00 0.00 H new ATOM 0 HA CYS A 26 1.677 -2.621 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.318 -1.758 1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.719 -0.450 1.611 1.00 0.00 H new ATOM 420 N VAL A 27 3.698 -1.251 -0.508 1.00 0.00 N ATOM 421 CA VAL A 27 4.897 -0.486 -0.679 1.00 0.00 C ATOM 422 C VAL A 27 4.720 0.567 -1.749 1.00 0.00 C ATOM 423 O VAL A 27 3.664 0.653 -2.391 1.00 0.00 O ATOM 424 CB VAL A 27 6.163 -1.356 -0.951 1.00 0.00 C ATOM 425 CG1 VAL A 27 6.539 -2.145 0.287 1.00 0.00 C ATOM 426 CG2 VAL A 27 5.949 -2.300 -2.126 1.00 0.00 C ATOM 0 H VAL A 27 3.434 -1.811 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 27 5.075 0.009 0.276 1.00 0.00 H new ATOM 0 HB VAL A 27 6.979 -0.680 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.424 -2.747 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.751 -1.458 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.713 -2.799 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.851 -2.891 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.113 -2.966 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.730 -1.721 -3.023 1.00 0.00 H new ATOM 436 N LEU A 28 5.732 1.369 -1.924 1.00 0.00 N ATOM 437 CA LEU A 28 5.688 2.468 -2.854 1.00 0.00 C ATOM 438 C LEU A 28 5.771 1.970 -4.295 1.00 0.00 C ATOM 439 O LEU A 28 6.379 0.928 -4.565 1.00 0.00 O ATOM 440 CB LEU A 28 6.811 3.496 -2.564 1.00 0.00 C ATOM 441 CG LEU A 28 6.761 4.256 -1.215 1.00 0.00 C ATOM 442 CD1 LEU A 28 5.401 4.905 -0.988 1.00 0.00 C ATOM 443 CD2 LEU A 28 7.165 3.373 -0.032 1.00 0.00 C ATOM 0 H LEU A 28 6.617 1.281 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 28 4.730 2.972 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.766 2.974 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.805 4.235 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 28 7.502 5.053 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.403 5.429 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.198 5.614 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.628 4.136 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.113 3.953 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.486 2.523 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.184 3.013 -0.178 1.00 0.00 H new ATOM 455 N PRO A 29 5.136 2.681 -5.234 1.00 0.00 N ATOM 456 CA PRO A 29 5.158 2.319 -6.638 1.00 0.00 C ATOM 457 C PRO A 29 6.497 2.634 -7.294 1.00 0.00 C ATOM 458 O PRO A 29 7.380 3.267 -6.692 1.00 0.00 O ATOM 459 CB PRO A 29 4.065 3.186 -7.246 1.00 0.00 C ATOM 460 CG PRO A 29 3.999 4.374 -6.365 1.00 0.00 C ATOM 461 CD PRO A 29 4.320 3.879 -4.993 1.00 0.00 C ATOM 0 HA PRO A 29 5.007 1.249 -6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.305 3.466 -8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.111 2.660 -7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.710 5.137 -6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.009 4.829 -6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.866 4.625 -4.416 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.416 3.641 -4.432 1.00 0.00 H new ATOM 469 N GLU A 30 6.648 2.197 -8.506 1.00 0.00 N ATOM 470 CA GLU A 30 7.856 2.425 -9.242 1.00 0.00 C ATOM 471 C GLU A 30 7.630 3.530 -10.269 1.00 0.00 C ATOM 472 O GLU A 30 8.563 4.239 -10.668 1.00 0.00 O ATOM 473 CB GLU A 30 8.284 1.128 -9.914 1.00 0.00 C ATOM 474 CG GLU A 30 9.576 1.207 -10.695 1.00 0.00 C ATOM 475 CD GLU A 30 9.928 -0.115 -11.287 1.00 0.00 C ATOM 476 OE1 GLU A 30 9.326 -0.490 -12.314 1.00 0.00 O ATOM 477 OE2 GLU A 30 10.771 -0.828 -10.709 1.00 0.00 O ATOM 0 H GLU A 30 5.937 1.671 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 30 8.651 2.746 -8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.386 0.357 -9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.489 0.806 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.481 1.950 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.381 1.541 -10.040 1.00 0.00 H new ATOM 484 N THR A 31 6.394 3.687 -10.681 1.00 0.00 N ATOM 485 CA THR A 31 6.051 4.686 -11.647 1.00 0.00 C ATOM 486 C THR A 31 5.810 6.030 -10.933 1.00 0.00 C ATOM 487 O THR A 31 6.366 7.069 -11.320 1.00 0.00 O ATOM 488 CB THR A 31 4.800 4.249 -12.436 1.00 0.00 C ATOM 489 OG1 THR A 31 4.899 2.829 -12.724 1.00 0.00 O ATOM 490 CG2 THR A 31 4.713 4.994 -13.756 1.00 0.00 C ATOM 0 H THR A 31 5.607 3.126 -10.354 1.00 0.00 H new ATOM 0 HA THR A 31 6.872 4.809 -12.354 1.00 0.00 H new ATOM 0 HB THR A 31 3.916 4.468 -11.838 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.107 2.541 -13.224 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.824 4.672 -14.298 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.653 6.066 -13.566 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.599 4.780 -14.354 1.00 0.00 H new ATOM 498 N GLY A 32 5.024 5.986 -9.881 1.00 0.00 N ATOM 499 CA GLY A 32 4.737 7.172 -9.098 1.00 0.00 C ATOM 500 C GLY A 32 5.680 7.314 -7.920 1.00 0.00 C ATOM 501 O GLY A 32 6.586 6.482 -7.737 1.00 0.00 O ATOM 0 H GLY A 32 4.569 5.138 -9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.815 8.054 -9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.709 7.129 -8.737 1.00 0.00 H new ATOM 505 N GLY A 33 5.480 8.347 -7.125 1.00 0.00 N ATOM 506 CA GLY A 33 6.332 8.582 -5.976 1.00 0.00 C ATOM 507 C GLY A 33 5.726 8.058 -4.686 1.00 0.00 C ATOM 508 O GLY A 33 6.217 7.072 -4.110 1.00 0.00 O ATOM 0 H GLY A 33 4.738 9.035 -7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.298 8.104 -6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.518 9.652 -5.878 1.00 0.00 H new ATOM 512 N GLY A 34 4.669 8.703 -4.232 1.00 0.00 N ATOM 513 CA GLY A 34 4.009 8.299 -3.021 1.00 0.00 C ATOM 514 C GLY A 34 2.891 7.339 -3.309 1.00 0.00 C ATOM 515 O GLY A 34 2.713 6.924 -4.460 1.00 0.00 O ATOM 0 H GLY A 34 4.252 9.513 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.729 7.832 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.616 9.176 -2.507 1.00 0.00 H new TER 519 GLY A 34