USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 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 Set 1.1: A 32 LYS NZ :NH3+ 134:sc= 0.248 (180deg=0) USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 1.12 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 39:sc= 0.635 USER MOD Single : A 11 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.17) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0417) USER MOD Single : A 18 LYS NZ :NH3+ -122:sc= -0.0607 (180deg=-0.702) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -41:sc= 0.467! USER MOD Single : A 28 SER OG : rot 116:sc= 0.524 USER MOD Single : A 34 GLN : amide:sc=-0.00716 K(o=-0.0072,f=-1.1) USER MOD Single : A 40 ASN : amide:sc= -1.22 K(o=-1.2,f=-6.9!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.103 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.025) USER MOD Single : A 49 LYS NZ :NH3+ -123:sc= -0.0954 (180deg=-0.546) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 20:sc= 0.365 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.461 3.006 13.579 1.00 0.00 N ATOM 2 CA GLY A 1 14.617 3.218 12.728 1.00 0.00 C ATOM 3 C GLY A 1 14.316 2.956 11.265 1.00 0.00 C ATOM 4 O GLY A 1 13.367 3.511 10.711 1.00 0.00 O ATOM 0 H1 GLY A 1 13.718 3.198 14.568 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.695 3.647 13.290 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.140 2.021 13.490 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.968 4.243 12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.427 2.565 13.052 1.00 0.00 H new ATOM 8 N SER A 2 15.126 2.109 10.638 1.00 0.00 N ATOM 9 CA SER A 2 14.945 1.779 9.229 1.00 0.00 C ATOM 10 C SER A 2 14.319 0.397 9.071 1.00 0.00 C ATOM 11 O SER A 2 15.018 -0.617 9.069 1.00 0.00 O ATOM 12 CB SER A 2 16.286 1.830 8.495 1.00 0.00 C ATOM 13 OG SER A 2 17.176 0.845 8.988 1.00 0.00 O ATOM 0 H SER A 2 15.914 1.639 11.083 1.00 0.00 H new ATOM 0 HA SER A 2 14.271 2.516 8.792 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.126 1.678 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.731 2.818 8.613 1.00 0.00 H new ATOM 0 HG SER A 2 16.715 -0.018 9.035 1.00 0.00 H new ATOM 19 N SER A 3 12.997 0.364 8.941 1.00 0.00 N ATOM 20 CA SER A 3 12.274 -0.893 8.788 1.00 0.00 C ATOM 21 C SER A 3 11.796 -1.072 7.350 1.00 0.00 C ATOM 22 O SER A 3 12.194 -2.011 6.663 1.00 0.00 O ATOM 23 CB SER A 3 11.081 -0.940 9.744 1.00 0.00 C ATOM 24 OG SER A 3 10.763 -2.276 10.096 1.00 0.00 O ATOM 0 H SER A 3 12.404 1.194 8.939 1.00 0.00 H new ATOM 0 HA SER A 3 12.956 -1.708 9.030 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.309 -0.368 10.643 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.217 -0.468 9.276 1.00 0.00 H new ATOM 0 HG SER A 3 9.998 -2.280 10.709 1.00 0.00 H new ATOM 30 N GLY A 4 10.936 -0.162 6.901 1.00 0.00 N ATOM 31 CA GLY A 4 10.416 -0.236 5.548 1.00 0.00 C ATOM 32 C GLY A 4 10.743 1.000 4.733 1.00 0.00 C ATOM 33 O GLY A 4 11.588 1.805 5.125 1.00 0.00 O ATOM 0 H GLY A 4 10.590 0.625 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.828 -1.114 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.335 -0.368 5.584 1.00 0.00 H new ATOM 37 N SER A 5 10.074 1.149 3.595 1.00 0.00 N ATOM 38 CA SER A 5 10.303 2.293 2.718 1.00 0.00 C ATOM 39 C SER A 5 8.989 2.989 2.381 1.00 0.00 C ATOM 40 O SER A 5 8.231 2.531 1.526 1.00 0.00 O ATOM 41 CB SER A 5 11.001 1.845 1.432 1.00 0.00 C ATOM 42 OG SER A 5 12.281 1.305 1.708 1.00 0.00 O ATOM 0 H SER A 5 9.369 0.493 3.258 1.00 0.00 H new ATOM 0 HA SER A 5 10.945 3.000 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.390 1.099 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.099 2.692 0.754 1.00 0.00 H new ATOM 0 HG SER A 5 12.705 1.025 0.870 1.00 0.00 H new ATOM 48 N SER A 6 8.724 4.101 3.061 1.00 0.00 N ATOM 49 CA SER A 6 7.499 4.861 2.837 1.00 0.00 C ATOM 50 C SER A 6 7.693 5.888 1.726 1.00 0.00 C ATOM 51 O SER A 6 8.624 6.693 1.764 1.00 0.00 O ATOM 52 CB SER A 6 7.067 5.562 4.126 1.00 0.00 C ATOM 53 OG SER A 6 5.672 5.816 4.125 1.00 0.00 O ATOM 0 H SER A 6 9.341 4.495 3.771 1.00 0.00 H new ATOM 0 HA SER A 6 6.718 4.164 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.327 4.943 4.985 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.611 6.501 4.233 1.00 0.00 H new ATOM 0 HG SER A 6 5.420 6.263 4.960 1.00 0.00 H new ATOM 59 N GLY A 7 6.805 5.856 0.737 1.00 0.00 N ATOM 60 CA GLY A 7 6.895 6.788 -0.373 1.00 0.00 C ATOM 61 C GLY A 7 5.917 6.463 -1.483 1.00 0.00 C ATOM 62 O GLY A 7 6.315 6.015 -2.558 1.00 0.00 O ATOM 0 H GLY A 7 6.025 5.201 0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.706 7.799 -0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.909 6.776 -0.772 1.00 0.00 H new ATOM 66 N TRP A 8 4.634 6.688 -1.224 1.00 0.00 N ATOM 67 CA TRP A 8 3.595 6.414 -2.212 1.00 0.00 C ATOM 68 C TRP A 8 3.848 5.085 -2.913 1.00 0.00 C ATOM 69 O TRP A 8 3.621 4.952 -4.116 1.00 0.00 O ATOM 70 CB TRP A 8 3.531 7.544 -3.241 1.00 0.00 C ATOM 71 CG TRP A 8 3.076 8.850 -2.662 1.00 0.00 C ATOM 72 CD1 TRP A 8 3.704 10.058 -2.772 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.898 9.078 -1.882 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.986 11.023 -2.107 1.00 0.00 N ATOM 75 CE2 TRP A 8 1.874 10.447 -1.553 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.860 8.259 -1.430 1.00 0.00 C ATOM 77 CZ2 TRP A 8 0.853 11.013 -0.793 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -0.153 8.821 -0.676 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.151 10.187 -0.364 1.00 0.00 C ATOM 0 H TRP A 8 4.288 7.059 -0.339 1.00 0.00 H new ATOM 0 HA TRP A 8 2.640 6.352 -1.691 1.00 0.00 H new ATOM 0 HB2 TRP A 8 4.517 7.676 -3.687 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.854 7.256 -4.045 1.00 0.00 H new ATOM 0 HD1 TRP A 8 4.629 10.230 -3.303 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.240 12.008 -2.037 1.00 0.00 H new ATOM 0 HE3 TRP A 8 0.849 7.205 -1.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.853 12.066 -0.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.960 8.197 -0.321 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.957 10.596 0.227 1.00 0.00 H new ATOM 90 N THR A 9 4.319 4.100 -2.155 1.00 0.00 N ATOM 91 CA THR A 9 4.604 2.781 -2.704 1.00 0.00 C ATOM 92 C THR A 9 4.195 1.680 -1.732 1.00 0.00 C ATOM 93 O THR A 9 4.857 1.456 -0.718 1.00 0.00 O ATOM 94 CB THR A 9 6.098 2.623 -3.042 1.00 0.00 C ATOM 95 OG1 THR A 9 6.893 2.894 -1.883 1.00 0.00 O ATOM 96 CG2 THR A 9 6.499 3.562 -4.171 1.00 0.00 C ATOM 0 H THR A 9 4.511 4.191 -1.157 1.00 0.00 H new ATOM 0 HA THR A 9 4.021 2.688 -3.620 1.00 0.00 H new ATOM 0 HB THR A 9 6.269 1.597 -3.367 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.451 2.525 -1.090 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.558 3.433 -4.393 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.912 3.333 -5.060 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.314 4.593 -3.870 1.00 0.00 H new ATOM 104 N CYS A 10 3.101 0.995 -2.047 1.00 0.00 N ATOM 105 CA CYS A 10 2.604 -0.084 -1.201 1.00 0.00 C ATOM 106 C CYS A 10 3.712 -1.087 -0.891 1.00 0.00 C ATOM 107 O CYS A 10 4.640 -1.264 -1.679 1.00 0.00 O ATOM 108 CB CYS A 10 1.433 -0.795 -1.881 1.00 0.00 C ATOM 109 SG CYS A 10 -0.177 0.025 -1.639 1.00 0.00 S ATOM 0 H CYS A 10 2.541 1.168 -2.882 1.00 0.00 H new ATOM 0 HA CYS A 10 2.260 0.352 -0.263 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.636 -0.866 -2.950 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.370 -1.814 -1.500 1.00 0.00 H new ATOM 114 N ASN A 11 3.604 -1.740 0.261 1.00 0.00 N ATOM 115 CA ASN A 11 4.597 -2.726 0.675 1.00 0.00 C ATOM 116 C ASN A 11 3.924 -3.960 1.270 1.00 0.00 C ATOM 117 O ASN A 11 2.932 -3.851 1.991 1.00 0.00 O ATOM 118 CB ASN A 11 5.559 -2.114 1.695 1.00 0.00 C ATOM 119 CG ASN A 11 6.281 -0.896 1.152 1.00 0.00 C ATOM 120 OD1 ASN A 11 6.874 -0.942 0.074 1.00 0.00 O ATOM 121 ND2 ASN A 11 6.233 0.201 1.897 1.00 0.00 N ATOM 0 H ASN A 11 2.841 -1.605 0.924 1.00 0.00 H new ATOM 0 HA ASN A 11 5.159 -3.031 -0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.004 -1.835 2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.292 -2.864 1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.699 1.052 1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.730 0.193 2.784 1.00 0.00 H new ATOM 128 N LYS A 12 4.470 -5.131 0.964 1.00 0.00 N ATOM 129 CA LYS A 12 3.925 -6.385 1.469 1.00 0.00 C ATOM 130 C LYS A 12 3.360 -6.206 2.875 1.00 0.00 C ATOM 131 O LYS A 12 2.243 -6.635 3.165 1.00 0.00 O ATOM 132 CB LYS A 12 5.005 -7.469 1.476 1.00 0.00 C ATOM 133 CG LYS A 12 6.295 -7.037 2.153 1.00 0.00 C ATOM 134 CD LYS A 12 7.503 -7.730 1.545 1.00 0.00 C ATOM 135 CE LYS A 12 8.782 -6.950 1.804 1.00 0.00 C ATOM 136 NZ LYS A 12 9.419 -7.340 3.093 1.00 0.00 N ATOM 0 H LYS A 12 5.291 -5.238 0.368 1.00 0.00 H new ATOM 0 HA LYS A 12 3.115 -6.692 0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.617 -8.353 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.223 -7.760 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.410 -5.957 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.242 -7.264 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.596 -8.733 1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.356 -7.844 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.483 -7.120 0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.560 -5.883 1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.165 -6.656 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.702 -7.348 3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.836 -8.288 3.001 1.00 0.00 H new ATOM 150 N PHE A 13 4.139 -5.570 3.744 1.00 0.00 N ATOM 151 CA PHE A 13 3.716 -5.334 5.119 1.00 0.00 C ATOM 152 C PHE A 13 2.492 -4.424 5.163 1.00 0.00 C ATOM 153 O PHE A 13 1.455 -4.787 5.718 1.00 0.00 O ATOM 154 CB PHE A 13 4.858 -4.712 5.926 1.00 0.00 C ATOM 155 CG PHE A 13 5.747 -5.727 6.584 1.00 0.00 C ATOM 156 CD1 PHE A 13 5.237 -6.613 7.520 1.00 0.00 C ATOM 157 CD2 PHE A 13 7.095 -5.795 6.269 1.00 0.00 C ATOM 158 CE1 PHE A 13 6.055 -7.548 8.128 1.00 0.00 C ATOM 159 CE2 PHE A 13 7.918 -6.728 6.873 1.00 0.00 C ATOM 160 CZ PHE A 13 7.396 -7.605 7.803 1.00 0.00 C ATOM 0 H PHE A 13 5.066 -5.209 3.520 1.00 0.00 H new ATOM 0 HA PHE A 13 3.449 -6.294 5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.460 -4.086 5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.438 -4.058 6.690 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.189 -6.573 7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.508 -5.111 5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.646 -8.233 8.856 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.967 -6.771 6.618 1.00 0.00 H new ATOM 0 HZ PHE A 13 8.036 -8.335 8.276 1.00 0.00 H new ATOM 170 N ARG A 14 2.622 -3.239 4.575 1.00 0.00 N ATOM 171 CA ARG A 14 1.529 -2.275 4.549 1.00 0.00 C ATOM 172 C ARG A 14 0.215 -2.955 4.174 1.00 0.00 C ATOM 173 O ARG A 14 -0.810 -2.751 4.825 1.00 0.00 O ATOM 174 CB ARG A 14 1.835 -1.151 3.557 1.00 0.00 C ATOM 175 CG ARG A 14 2.839 -0.136 4.078 1.00 0.00 C ATOM 176 CD ARG A 14 3.254 0.845 2.993 1.00 0.00 C ATOM 177 NE ARG A 14 2.264 1.902 2.803 1.00 0.00 N ATOM 178 CZ ARG A 14 2.180 2.978 3.578 1.00 0.00 C ATOM 179 NH1 ARG A 14 3.024 3.139 4.588 1.00 0.00 N ATOM 180 NH2 ARG A 14 1.253 3.897 3.341 1.00 0.00 N ATOM 0 H ARG A 14 3.474 -2.924 4.110 1.00 0.00 H new ATOM 0 HA ARG A 14 1.428 -1.851 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.217 -1.587 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.907 -0.636 3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.405 0.409 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.719 -0.655 4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.214 1.290 3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.396 0.309 2.055 1.00 0.00 H new ATOM 0 HE ARG A 14 1.601 1.809 2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.740 2.436 4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.957 3.966 5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.604 3.778 2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.189 4.723 3.937 1.00 0.00 H new ATOM 194 N CYS A 15 0.252 -3.763 3.120 1.00 0.00 N ATOM 195 CA CYS A 15 -0.935 -4.472 2.657 1.00 0.00 C ATOM 196 C CYS A 15 -1.825 -4.869 3.831 1.00 0.00 C ATOM 197 O CYS A 15 -1.511 -5.797 4.575 1.00 0.00 O ATOM 198 CB CYS A 15 -0.534 -5.717 1.863 1.00 0.00 C ATOM 199 SG CYS A 15 0.840 -5.446 0.699 1.00 0.00 S ATOM 0 H CYS A 15 1.092 -3.943 2.570 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.498 -3.801 2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.254 -6.506 2.561 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.401 -6.076 1.308 1.00 0.00 H new ATOM 204 N GLY A 16 -2.936 -4.157 3.991 1.00 0.00 N ATOM 205 CA GLY A 16 -3.855 -4.450 5.077 1.00 0.00 C ATOM 206 C GLY A 16 -3.728 -3.467 6.224 1.00 0.00 C ATOM 207 O GLY A 16 -3.619 -3.867 7.383 1.00 0.00 O ATOM 0 H GLY A 16 -3.217 -3.383 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.877 -4.432 4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.668 -5.459 5.445 1.00 0.00 H new ATOM 211 N GLU A 17 -3.741 -2.177 5.901 1.00 0.00 N ATOM 212 CA GLU A 17 -3.624 -1.136 6.914 1.00 0.00 C ATOM 213 C GLU A 17 -4.955 -0.415 7.110 1.00 0.00 C ATOM 214 O GLU A 17 -5.933 -0.693 6.414 1.00 0.00 O ATOM 215 CB GLU A 17 -2.541 -0.129 6.520 1.00 0.00 C ATOM 216 CG GLU A 17 -2.836 0.606 5.224 1.00 0.00 C ATOM 217 CD GLU A 17 -1.749 1.597 4.855 1.00 0.00 C ATOM 218 OE1 GLU A 17 -1.034 2.061 5.769 1.00 0.00 O ATOM 219 OE2 GLU A 17 -1.612 1.909 3.653 1.00 0.00 O ATOM 0 H GLU A 17 -3.831 -1.829 4.946 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.345 -1.611 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.425 0.599 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.589 -0.651 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.951 -0.119 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.786 1.132 5.317 1.00 0.00 H new ATOM 226 N LYS A 18 -4.986 0.509 8.063 1.00 0.00 N ATOM 227 CA LYS A 18 -6.195 1.271 8.352 1.00 0.00 C ATOM 228 C LYS A 18 -6.606 2.117 7.151 1.00 0.00 C ATOM 229 O LYS A 18 -5.889 2.184 6.153 1.00 0.00 O ATOM 230 CB LYS A 18 -5.978 2.170 9.571 1.00 0.00 C ATOM 231 CG LYS A 18 -6.190 1.459 10.896 1.00 0.00 C ATOM 232 CD LYS A 18 -5.444 2.150 12.026 1.00 0.00 C ATOM 233 CE LYS A 18 -6.097 3.471 12.399 1.00 0.00 C ATOM 234 NZ LYS A 18 -5.574 4.600 11.581 1.00 0.00 N ATOM 0 H LYS A 18 -4.187 0.749 8.649 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.996 0.564 8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.965 2.570 9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.658 3.020 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.255 1.428 11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.852 0.426 10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.417 1.497 12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.411 2.325 11.727 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.176 3.394 12.263 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.923 3.677 13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.171 5.326 12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.836 4.250 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.349 5.014 11.025 1.00 0.00 H new ATOM 248 N ARG A 19 -7.764 2.761 7.254 1.00 0.00 N ATOM 249 CA ARG A 19 -8.269 3.603 6.177 1.00 0.00 C ATOM 250 C ARG A 19 -7.542 4.943 6.147 1.00 0.00 C ATOM 251 O ARG A 19 -7.131 5.462 7.185 1.00 0.00 O ATOM 252 CB ARG A 19 -9.773 3.830 6.341 1.00 0.00 C ATOM 253 CG ARG A 19 -10.127 4.775 7.477 1.00 0.00 C ATOM 254 CD ARG A 19 -11.614 5.086 7.501 1.00 0.00 C ATOM 255 NE ARG A 19 -12.365 4.113 8.290 1.00 0.00 N ATOM 256 CZ ARG A 19 -13.593 4.326 8.747 1.00 0.00 C ATOM 257 NH1 ARG A 19 -14.208 5.474 8.495 1.00 0.00 N ATOM 258 NH2 ARG A 19 -14.211 3.391 9.458 1.00 0.00 N ATOM 0 H ARG A 19 -8.370 2.715 8.073 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.086 3.090 5.233 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -10.175 4.229 5.410 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.260 2.870 6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.832 4.330 8.427 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.562 5.701 7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.769 6.083 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.998 5.099 6.481 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.921 3.220 8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.737 6.196 7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.152 5.635 8.847 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.742 2.507 9.654 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.155 3.557 9.808 1.00 0.00 H new ATOM 272 N LEU A 20 -7.386 5.500 4.950 1.00 0.00 N ATOM 273 CA LEU A 20 -6.708 6.781 4.784 1.00 0.00 C ATOM 274 C LEU A 20 -7.686 7.862 4.339 1.00 0.00 C ATOM 275 O LEU A 20 -8.270 7.779 3.258 1.00 0.00 O ATOM 276 CB LEU A 20 -5.574 6.651 3.766 1.00 0.00 C ATOM 277 CG LEU A 20 -4.281 6.015 4.277 1.00 0.00 C ATOM 278 CD1 LEU A 20 -3.712 6.819 5.436 1.00 0.00 C ATOM 279 CD2 LEU A 20 -4.526 4.572 4.695 1.00 0.00 C ATOM 0 H LEU A 20 -7.720 5.084 4.081 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.291 7.071 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.936 6.063 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.340 7.645 3.384 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.552 6.019 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.792 6.351 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.499 7.835 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.437 6.848 6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.595 4.135 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.272 4.545 5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.887 4.002 3.839 1.00 0.00 H new ATOM 291 N THR A 21 -7.862 8.877 5.179 1.00 0.00 N ATOM 292 CA THR A 21 -8.769 9.976 4.871 1.00 0.00 C ATOM 293 C THR A 21 -8.297 10.753 3.648 1.00 0.00 C ATOM 294 O THR A 21 -9.021 10.873 2.660 1.00 0.00 O ATOM 295 CB THR A 21 -8.901 10.945 6.062 1.00 0.00 C ATOM 296 OG1 THR A 21 -9.212 10.216 7.254 1.00 0.00 O ATOM 297 CG2 THR A 21 -9.982 11.982 5.798 1.00 0.00 C ATOM 0 H THR A 21 -7.388 8.961 6.078 1.00 0.00 H new ATOM 0 HA THR A 21 -9.743 9.533 4.662 1.00 0.00 H new ATOM 0 HB THR A 21 -7.949 11.461 6.190 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.293 10.839 8.007 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.057 12.655 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.727 12.555 4.906 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.938 11.481 5.646 1.00 0.00 H new ATOM 305 N ARG A 22 -7.078 11.277 3.721 1.00 0.00 N ATOM 306 CA ARG A 22 -6.509 12.044 2.618 1.00 0.00 C ATOM 307 C ARG A 22 -5.115 11.535 2.263 1.00 0.00 C ATOM 308 O ARG A 22 -4.164 11.723 3.020 1.00 0.00 O ATOM 309 CB ARG A 22 -6.444 13.529 2.981 1.00 0.00 C ATOM 310 CG ARG A 22 -6.047 14.424 1.818 1.00 0.00 C ATOM 311 CD ARG A 22 -7.258 14.847 1.003 1.00 0.00 C ATOM 312 NE ARG A 22 -7.005 16.065 0.237 1.00 0.00 N ATOM 313 CZ ARG A 22 -7.916 16.657 -0.525 1.00 0.00 C ATOM 314 NH1 ARG A 22 -9.136 16.145 -0.625 1.00 0.00 N ATOM 315 NH2 ARG A 22 -7.609 17.764 -1.191 1.00 0.00 N ATOM 0 H ARG A 22 -6.465 11.185 4.531 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.155 11.917 1.750 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.417 13.845 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.730 13.665 3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.535 15.309 2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.341 13.897 1.176 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.536 14.042 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.105 15.008 1.670 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.076 16.484 0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.375 15.294 -0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.834 16.602 -1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.672 18.160 -1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.310 18.218 -1.776 1.00 0.00 H new ATOM 329 N SER A 23 -5.004 10.887 1.107 1.00 0.00 N ATOM 330 CA SER A 23 -3.728 10.347 0.654 1.00 0.00 C ATOM 331 C SER A 23 -3.816 9.894 -0.801 1.00 0.00 C ATOM 332 O SER A 23 -4.742 9.179 -1.186 1.00 0.00 O ATOM 333 CB SER A 23 -3.304 9.174 1.540 1.00 0.00 C ATOM 334 OG SER A 23 -1.892 9.066 1.601 1.00 0.00 O ATOM 0 H SER A 23 -5.782 10.724 0.468 1.00 0.00 H new ATOM 0 HA SER A 23 -2.980 11.137 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.705 9.309 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.726 8.248 1.150 1.00 0.00 H new ATOM 0 HG SER A 23 -1.513 9.222 0.711 1.00 0.00 H new ATOM 340 N LEU A 24 -2.846 10.316 -1.604 1.00 0.00 N ATOM 341 CA LEU A 24 -2.812 9.954 -3.017 1.00 0.00 C ATOM 342 C LEU A 24 -3.321 8.532 -3.228 1.00 0.00 C ATOM 343 O LEU A 24 -4.172 8.287 -4.083 1.00 0.00 O ATOM 344 CB LEU A 24 -1.389 10.085 -3.563 1.00 0.00 C ATOM 345 CG LEU A 24 -0.749 11.470 -3.445 1.00 0.00 C ATOM 346 CD1 LEU A 24 0.702 11.428 -3.898 1.00 0.00 C ATOM 347 CD2 LEU A 24 -1.534 12.490 -4.257 1.00 0.00 C ATOM 0 H LEU A 24 -2.073 10.909 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.467 10.638 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.754 9.368 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.397 9.799 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.772 11.772 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.140 12.422 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.258 10.728 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.749 11.104 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.065 13.469 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.542 12.192 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.558 12.540 -3.886 1.00 0.00 H new ATOM 359 N CYS A 25 -2.796 7.599 -2.441 1.00 0.00 N ATOM 360 CA CYS A 25 -3.196 6.201 -2.540 1.00 0.00 C ATOM 361 C CYS A 25 -3.429 5.602 -1.155 1.00 0.00 C ATOM 362 O CYS A 25 -3.214 6.262 -0.139 1.00 0.00 O ATOM 363 CB CYS A 25 -2.131 5.394 -3.284 1.00 0.00 C ATOM 364 SG CYS A 25 -0.720 4.891 -2.247 1.00 0.00 S ATOM 0 H CYS A 25 -2.092 7.786 -1.727 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.131 6.156 -3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.595 4.502 -3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.760 5.986 -4.121 1.00 0.00 H new ATOM 369 N ALA A 26 -3.868 4.349 -1.125 1.00 0.00 N ATOM 370 CA ALA A 26 -4.128 3.660 0.134 1.00 0.00 C ATOM 371 C ALA A 26 -4.011 2.149 -0.032 1.00 0.00 C ATOM 372 O ALA A 26 -4.665 1.556 -0.890 1.00 0.00 O ATOM 373 CB ALA A 26 -5.506 4.030 0.663 1.00 0.00 C ATOM 0 H ALA A 26 -4.051 3.789 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.376 3.979 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.687 3.509 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.555 5.106 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.265 3.741 -0.064 1.00 0.00 H new ATOM 379 N CYS A 27 -3.172 1.531 0.792 1.00 0.00 N ATOM 380 CA CYS A 27 -2.966 0.089 0.736 1.00 0.00 C ATOM 381 C CYS A 27 -3.946 -0.636 1.654 1.00 0.00 C ATOM 382 O CYS A 27 -3.575 -1.574 2.360 1.00 0.00 O ATOM 383 CB CYS A 27 -1.529 -0.259 1.130 1.00 0.00 C ATOM 384 SG CYS A 27 -0.262 0.702 0.241 1.00 0.00 S ATOM 0 H CYS A 27 -2.623 2.007 1.508 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.144 -0.238 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.408 -0.097 2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.360 -1.320 0.947 1.00 0.00 H new ATOM 389 N SER A 28 -5.200 -0.194 1.640 1.00 0.00 N ATOM 390 CA SER A 28 -6.234 -0.797 2.473 1.00 0.00 C ATOM 391 C SER A 28 -7.494 -1.076 1.659 1.00 0.00 C ATOM 392 O SER A 28 -7.748 -0.423 0.647 1.00 0.00 O ATOM 393 CB SER A 28 -6.566 0.118 3.652 1.00 0.00 C ATOM 394 OG SER A 28 -7.745 -0.308 4.312 1.00 0.00 O ATOM 0 H SER A 28 -5.524 0.580 1.060 1.00 0.00 H new ATOM 0 HA SER A 28 -5.853 -1.744 2.854 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.734 0.126 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.693 1.141 3.298 1.00 0.00 H new ATOM 0 HG SER A 28 -7.527 -0.578 5.229 1.00 0.00 H new ATOM 400 N ASP A 29 -8.278 -2.048 2.110 1.00 0.00 N ATOM 401 CA ASP A 29 -9.514 -2.413 1.426 1.00 0.00 C ATOM 402 C ASP A 29 -10.309 -1.169 1.040 1.00 0.00 C ATOM 403 O ASP A 29 -10.888 -1.103 -0.044 1.00 0.00 O ATOM 404 CB ASP A 29 -10.364 -3.322 2.314 1.00 0.00 C ATOM 405 CG ASP A 29 -9.610 -4.555 2.771 1.00 0.00 C ATOM 406 OD1 ASP A 29 -9.246 -5.382 1.909 1.00 0.00 O ATOM 407 OD2 ASP A 29 -9.382 -4.692 3.991 1.00 0.00 O ATOM 0 H ASP A 29 -8.080 -2.598 2.946 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.251 -2.951 0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.700 -2.761 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.256 -3.627 1.768 1.00 0.00 H new ATOM 412 N ASP A 30 -10.333 -0.187 1.934 1.00 0.00 N ATOM 413 CA ASP A 30 -11.057 1.054 1.688 1.00 0.00 C ATOM 414 C ASP A 30 -10.777 1.577 0.283 1.00 0.00 C ATOM 415 O ASP A 30 -11.668 2.102 -0.385 1.00 0.00 O ATOM 416 CB ASP A 30 -10.672 2.110 2.726 1.00 0.00 C ATOM 417 CG ASP A 30 -11.105 3.505 2.321 1.00 0.00 C ATOM 418 OD1 ASP A 30 -12.277 3.858 2.568 1.00 0.00 O ATOM 419 OD2 ASP A 30 -10.271 4.244 1.757 1.00 0.00 O ATOM 0 H ASP A 30 -9.859 -0.227 2.836 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.124 0.846 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.126 1.856 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.592 2.096 2.871 1.00 0.00 H new ATOM 424 N CYS A 31 -9.532 1.432 -0.159 1.00 0.00 N ATOM 425 CA CYS A 31 -9.132 1.891 -1.484 1.00 0.00 C ATOM 426 C CYS A 31 -9.855 1.105 -2.573 1.00 0.00 C ATOM 427 O CYS A 31 -10.315 1.674 -3.563 1.00 0.00 O ATOM 428 CB CYS A 31 -7.618 1.752 -1.659 1.00 0.00 C ATOM 429 SG CYS A 31 -7.089 0.126 -2.289 1.00 0.00 S ATOM 0 H CYS A 31 -8.782 1.000 0.381 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.407 2.942 -1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.269 2.526 -2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.134 1.933 -0.699 1.00 0.00 H new ATOM 434 N LYS A 32 -9.953 -0.207 -2.383 1.00 0.00 N ATOM 435 CA LYS A 32 -10.620 -1.073 -3.348 1.00 0.00 C ATOM 436 C LYS A 32 -12.050 -0.604 -3.599 1.00 0.00 C ATOM 437 O LYS A 32 -12.488 -0.506 -4.746 1.00 0.00 O ATOM 438 CB LYS A 32 -10.627 -2.519 -2.846 1.00 0.00 C ATOM 439 CG LYS A 32 -9.326 -3.259 -3.107 1.00 0.00 C ATOM 440 CD LYS A 32 -9.535 -4.764 -3.122 1.00 0.00 C ATOM 441 CE LYS A 32 -8.447 -5.468 -3.918 1.00 0.00 C ATOM 442 NZ LYS A 32 -7.286 -5.838 -3.061 1.00 0.00 N ATOM 0 H LYS A 32 -9.578 -0.694 -1.569 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.069 -1.024 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.829 -2.522 -1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.444 -3.058 -3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.909 -2.939 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.598 -2.999 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.542 -5.142 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.509 -4.993 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.858 -6.365 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.110 -4.819 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.004 -6.818 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.489 -5.200 -3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.553 -5.754 -2.059 1.00 0.00 H new ATOM 456 N ASP A 33 -12.773 -0.317 -2.522 1.00 0.00 N ATOM 457 CA ASP A 33 -14.152 0.144 -2.627 1.00 0.00 C ATOM 458 C ASP A 33 -14.211 1.555 -3.202 1.00 0.00 C ATOM 459 O ASP A 33 -14.825 1.786 -4.244 1.00 0.00 O ATOM 460 CB ASP A 33 -14.830 0.108 -1.256 1.00 0.00 C ATOM 461 CG ASP A 33 -16.201 0.755 -1.272 1.00 0.00 C ATOM 462 OD1 ASP A 33 -16.949 0.536 -2.248 1.00 0.00 O ATOM 463 OD2 ASP A 33 -16.526 1.479 -0.308 1.00 0.00 O ATOM 0 H ASP A 33 -12.427 -0.396 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.683 -0.526 -3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.924 -0.927 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.199 0.618 -0.528 1.00 0.00 H new ATOM 468 N GLN A 34 -13.571 2.496 -2.515 1.00 0.00 N ATOM 469 CA GLN A 34 -13.553 3.885 -2.957 1.00 0.00 C ATOM 470 C GLN A 34 -12.899 4.012 -4.329 1.00 0.00 C ATOM 471 O GLN A 34 -13.524 4.466 -5.286 1.00 0.00 O ATOM 472 CB GLN A 34 -12.811 4.756 -1.942 1.00 0.00 C ATOM 473 CG GLN A 34 -13.632 5.084 -0.705 1.00 0.00 C ATOM 474 CD GLN A 34 -13.018 6.193 0.126 1.00 0.00 C ATOM 475 OE1 GLN A 34 -11.954 6.717 -0.207 1.00 0.00 O ATOM 476 NE2 GLN A 34 -13.686 6.559 1.213 1.00 0.00 N ATOM 0 H GLN A 34 -13.058 2.322 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.585 4.228 -3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.898 4.245 -1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.510 5.686 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.637 5.376 -1.008 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.732 4.188 -0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.564 6.098 1.451 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.321 7.301 1.810 1.00 0.00 H new ATOM 485 N GLY A 35 -11.635 3.607 -4.416 1.00 0.00 N ATOM 486 CA GLY A 35 -10.917 3.684 -5.674 1.00 0.00 C ATOM 487 C GLY A 35 -9.712 4.601 -5.599 1.00 0.00 C ATOM 488 O GLY A 35 -9.482 5.408 -6.499 1.00 0.00 O ATOM 0 H GLY A 35 -11.096 3.227 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.592 2.685 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.592 4.039 -6.453 1.00 0.00 H new ATOM 492 N ASP A 36 -8.943 4.477 -4.523 1.00 0.00 N ATOM 493 CA ASP A 36 -7.755 5.301 -4.333 1.00 0.00 C ATOM 494 C ASP A 36 -6.563 4.449 -3.909 1.00 0.00 C ATOM 495 O ASP A 36 -5.878 4.761 -2.935 1.00 0.00 O ATOM 496 CB ASP A 36 -8.022 6.384 -3.286 1.00 0.00 C ATOM 497 CG ASP A 36 -8.793 7.560 -3.852 1.00 0.00 C ATOM 498 OD1 ASP A 36 -8.192 8.361 -4.599 1.00 0.00 O ATOM 499 OD2 ASP A 36 -9.999 7.679 -3.550 1.00 0.00 O ATOM 0 H ASP A 36 -9.121 3.814 -3.769 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.517 5.776 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.581 5.952 -2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.073 6.736 -2.882 1.00 0.00 H new ATOM 504 N CYS A 37 -6.323 3.369 -4.646 1.00 0.00 N ATOM 505 CA CYS A 37 -5.215 2.469 -4.346 1.00 0.00 C ATOM 506 C CYS A 37 -3.929 2.951 -5.011 1.00 0.00 C ATOM 507 O CYS A 37 -3.960 3.775 -5.925 1.00 0.00 O ATOM 508 CB CYS A 37 -5.544 1.050 -4.813 1.00 0.00 C ATOM 509 SG CYS A 37 -7.209 0.479 -4.345 1.00 0.00 S ATOM 0 H CYS A 37 -6.881 3.096 -5.455 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.065 2.463 -3.266 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.448 1.005 -5.898 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.806 0.363 -4.399 1.00 0.00 H new ATOM 514 N CYS A 38 -2.798 2.430 -4.545 1.00 0.00 N ATOM 515 CA CYS A 38 -1.501 2.804 -5.093 1.00 0.00 C ATOM 516 C CYS A 38 -1.258 2.121 -6.435 1.00 0.00 C ATOM 517 O CYS A 38 -1.558 0.938 -6.604 1.00 0.00 O ATOM 518 CB CYS A 38 -0.385 2.438 -4.112 1.00 0.00 C ATOM 519 SG CYS A 38 -0.733 2.894 -2.384 1.00 0.00 S ATOM 0 H CYS A 38 -2.755 1.747 -3.789 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.499 3.883 -5.250 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.208 1.364 -4.164 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.536 2.928 -4.427 1.00 0.00 H new ATOM 524 N ILE A 39 -0.714 2.873 -7.387 1.00 0.00 N ATOM 525 CA ILE A 39 -0.431 2.339 -8.713 1.00 0.00 C ATOM 526 C ILE A 39 0.253 0.980 -8.624 1.00 0.00 C ATOM 527 O ILE A 39 0.060 0.119 -9.481 1.00 0.00 O ATOM 528 CB ILE A 39 0.459 3.297 -9.526 1.00 0.00 C ATOM 529 CG1 ILE A 39 0.789 2.687 -10.890 1.00 0.00 C ATOM 530 CG2 ILE A 39 1.733 3.616 -8.759 1.00 0.00 C ATOM 531 CD1 ILE A 39 1.255 3.702 -11.910 1.00 0.00 C ATOM 0 H ILE A 39 -0.461 3.853 -7.264 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.389 2.227 -9.220 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.086 4.227 -9.688 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.563 1.930 -10.763 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.095 2.177 -11.274 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.351 4.294 -9.347 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.478 4.088 -7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.284 2.695 -8.569 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.471 3.198 -12.852 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.474 4.446 -12.067 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.157 4.195 -11.547 1.00 0.00 H new ATOM 543 N ASN A 40 1.054 0.793 -7.578 1.00 0.00 N ATOM 544 CA ASN A 40 1.766 -0.463 -7.376 1.00 0.00 C ATOM 545 C ASN A 40 1.228 -1.203 -6.156 1.00 0.00 C ATOM 546 O ASN A 40 1.994 -1.720 -5.342 1.00 0.00 O ATOM 547 CB ASN A 40 3.264 -0.201 -7.208 1.00 0.00 C ATOM 548 CG ASN A 40 3.583 0.528 -5.917 1.00 0.00 C ATOM 549 OD1 ASN A 40 2.713 1.156 -5.315 1.00 0.00 O ATOM 550 ND2 ASN A 40 4.837 0.449 -5.487 1.00 0.00 N ATOM 0 H ASN A 40 1.225 1.495 -6.859 1.00 0.00 H new ATOM 0 HA ASN A 40 1.609 -1.087 -8.256 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.800 -1.150 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.624 0.387 -8.052 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.111 0.921 -4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.526 -0.083 -6.019 1.00 0.00 H new ATOM 557 N TYR A 41 -0.094 -1.250 -6.035 1.00 0.00 N ATOM 558 CA TYR A 41 -0.735 -1.925 -4.913 1.00 0.00 C ATOM 559 C TYR A 41 -0.620 -3.441 -5.052 1.00 0.00 C ATOM 560 O TYR A 41 -0.082 -4.116 -4.175 1.00 0.00 O ATOM 561 CB TYR A 41 -2.207 -1.521 -4.821 1.00 0.00 C ATOM 562 CG TYR A 41 -2.980 -2.281 -3.766 1.00 0.00 C ATOM 563 CD1 TYR A 41 -3.504 -3.539 -4.034 1.00 0.00 C ATOM 564 CD2 TYR A 41 -3.185 -1.741 -2.503 1.00 0.00 C ATOM 565 CE1 TYR A 41 -4.211 -4.238 -3.074 1.00 0.00 C ATOM 566 CE2 TYR A 41 -3.890 -2.432 -1.537 1.00 0.00 C ATOM 567 CZ TYR A 41 -4.400 -3.680 -1.827 1.00 0.00 C ATOM 568 OH TYR A 41 -5.104 -4.372 -0.868 1.00 0.00 O ATOM 0 H TYR A 41 -0.742 -0.829 -6.700 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.224 -1.622 -3.999 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.269 -0.454 -4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.680 -1.680 -5.790 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.356 -3.979 -5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.786 -0.764 -2.272 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.613 -5.215 -3.299 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.041 -1.997 -0.560 1.00 0.00 H new ATOM 0 HH TYR A 41 -5.146 -3.840 -0.046 1.00 0.00 H new ATOM 578 N SER A 42 -1.132 -3.967 -6.160 1.00 0.00 N ATOM 579 CA SER A 42 -1.090 -5.403 -6.413 1.00 0.00 C ATOM 580 C SER A 42 0.331 -5.857 -6.734 1.00 0.00 C ATOM 581 O SER A 42 0.784 -6.898 -6.258 1.00 0.00 O ATOM 582 CB SER A 42 -2.026 -5.764 -7.568 1.00 0.00 C ATOM 583 OG SER A 42 -1.427 -5.480 -8.820 1.00 0.00 O ATOM 0 H SER A 42 -1.580 -3.421 -6.896 1.00 0.00 H new ATOM 0 HA SER A 42 -1.421 -5.917 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.281 -6.822 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.958 -5.206 -7.473 1.00 0.00 H new ATOM 0 HG SER A 42 -2.045 -5.722 -9.541 1.00 0.00 H new ATOM 589 N SER A 43 1.028 -5.068 -7.545 1.00 0.00 N ATOM 590 CA SER A 43 2.396 -5.389 -7.933 1.00 0.00 C ATOM 591 C SER A 43 3.251 -5.698 -6.708 1.00 0.00 C ATOM 592 O SER A 43 4.085 -6.603 -6.730 1.00 0.00 O ATOM 593 CB SER A 43 3.012 -4.230 -8.720 1.00 0.00 C ATOM 594 OG SER A 43 4.289 -4.578 -9.227 1.00 0.00 O ATOM 0 H SER A 43 0.668 -4.202 -7.946 1.00 0.00 H new ATOM 0 HA SER A 43 2.368 -6.275 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.353 -3.955 -9.544 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.099 -3.355 -8.076 1.00 0.00 H new ATOM 0 HG SER A 43 4.660 -3.821 -9.727 1.00 0.00 H new ATOM 600 N VAL A 44 3.038 -4.937 -5.638 1.00 0.00 N ATOM 601 CA VAL A 44 3.787 -5.127 -4.403 1.00 0.00 C ATOM 602 C VAL A 44 3.088 -6.125 -3.485 1.00 0.00 C ATOM 603 O VAL A 44 3.698 -7.087 -3.017 1.00 0.00 O ATOM 604 CB VAL A 44 3.975 -3.798 -3.649 1.00 0.00 C ATOM 605 CG1 VAL A 44 4.695 -4.029 -2.329 1.00 0.00 C ATOM 606 CG2 VAL A 44 4.732 -2.800 -4.511 1.00 0.00 C ATOM 0 H VAL A 44 2.352 -4.183 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 44 4.765 -5.518 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 44 2.991 -3.382 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.819 -3.078 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.109 -4.707 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.674 -4.468 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.856 -1.866 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.712 -3.206 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.172 -2.611 -5.427 1.00 0.00 H new ATOM 616 N CYS A 45 1.805 -5.890 -3.232 1.00 0.00 N ATOM 617 CA CYS A 45 1.022 -6.767 -2.371 1.00 0.00 C ATOM 618 C CYS A 45 0.753 -8.104 -3.056 1.00 0.00 C ATOM 619 O CYS A 45 1.186 -9.153 -2.582 1.00 0.00 O ATOM 620 CB CYS A 45 -0.303 -6.098 -1.997 1.00 0.00 C ATOM 621 SG CYS A 45 -0.122 -4.647 -0.910 1.00 0.00 S ATOM 0 H CYS A 45 1.285 -5.099 -3.612 1.00 0.00 H new ATOM 0 HA CYS A 45 1.597 -6.953 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.814 -5.793 -2.910 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.941 -6.831 -1.504 1.00 0.00 H new ATOM 626 N GLN A 46 0.036 -8.056 -4.175 1.00 0.00 N ATOM 627 CA GLN A 46 -0.290 -9.264 -4.924 1.00 0.00 C ATOM 628 C GLN A 46 0.929 -9.781 -5.679 1.00 0.00 C ATOM 629 O GLN A 46 1.056 -9.579 -6.886 1.00 0.00 O ATOM 630 CB GLN A 46 -1.433 -8.988 -5.903 1.00 0.00 C ATOM 631 CG GLN A 46 -2.687 -8.446 -5.237 1.00 0.00 C ATOM 632 CD GLN A 46 -3.322 -9.443 -4.290 1.00 0.00 C ATOM 633 OE1 GLN A 46 -3.547 -9.146 -3.116 1.00 0.00 O ATOM 634 NE2 GLN A 46 -3.618 -10.636 -4.795 1.00 0.00 N ATOM 0 H GLN A 46 -0.329 -7.195 -4.582 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.606 -10.029 -4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.093 -8.274 -6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.681 -9.910 -6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.439 -7.537 -4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.410 -8.168 -6.004 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.415 -10.840 -5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.049 -11.347 -4.204 1.00 0.00 H new ATOM 643 N GLY A 47 1.824 -10.451 -4.960 1.00 0.00 N ATOM 644 CA GLY A 47 3.023 -10.987 -5.579 1.00 0.00 C ATOM 645 C GLY A 47 3.610 -12.146 -4.797 1.00 0.00 C ATOM 646 O GLY A 47 3.066 -12.550 -3.771 1.00 0.00 O ATOM 0 H GLY A 47 1.741 -10.632 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.789 -11.317 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.768 -10.196 -5.665 1.00 0.00 H new ATOM 650 N GLU A 48 4.724 -12.682 -5.285 1.00 0.00 N ATOM 651 CA GLU A 48 5.384 -13.803 -4.626 1.00 0.00 C ATOM 652 C GLU A 48 6.849 -13.481 -4.342 1.00 0.00 C ATOM 653 O GLU A 48 7.697 -13.556 -5.231 1.00 0.00 O ATOM 654 CB GLU A 48 5.285 -15.062 -5.490 1.00 0.00 C ATOM 655 CG GLU A 48 5.491 -16.351 -4.713 1.00 0.00 C ATOM 656 CD GLU A 48 4.214 -16.851 -4.065 1.00 0.00 C ATOM 657 OE1 GLU A 48 3.122 -16.480 -4.542 1.00 0.00 O ATOM 658 OE2 GLU A 48 4.309 -17.615 -3.081 1.00 0.00 O ATOM 0 H GLU A 48 5.188 -12.358 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 48 4.879 -13.982 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.306 -15.088 -5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.027 -15.005 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.878 -17.118 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.246 -16.190 -3.943 1.00 0.00 H new ATOM 665 N LYS A 49 7.139 -13.122 -3.097 1.00 0.00 N ATOM 666 CA LYS A 49 8.500 -12.790 -2.692 1.00 0.00 C ATOM 667 C LYS A 49 9.212 -14.011 -2.121 1.00 0.00 C ATOM 668 O LYS A 49 9.917 -13.918 -1.116 1.00 0.00 O ATOM 669 CB LYS A 49 8.485 -11.664 -1.656 1.00 0.00 C ATOM 670 CG LYS A 49 7.832 -12.055 -0.342 1.00 0.00 C ATOM 671 CD LYS A 49 7.969 -10.955 0.698 1.00 0.00 C ATOM 672 CE LYS A 49 9.276 -11.072 1.465 1.00 0.00 C ATOM 673 NZ LYS A 49 9.336 -12.323 2.273 1.00 0.00 N ATOM 0 H LYS A 49 6.449 -13.053 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 49 9.044 -12.456 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.510 -11.346 -1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.958 -10.805 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.776 -12.270 -0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.288 -12.971 0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.919 -9.982 0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.132 -11.005 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.111 -11.052 0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.390 -10.210 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.498 -12.084 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.438 -12.839 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.115 -12.921 1.930 1.00 0.00 H new ATOM 687 N SER A 50 9.024 -15.157 -2.769 1.00 0.00 N ATOM 688 CA SER A 50 9.647 -16.398 -2.323 1.00 0.00 C ATOM 689 C SER A 50 9.169 -16.773 -0.923 1.00 0.00 C ATOM 690 O SER A 50 9.960 -17.187 -0.076 1.00 0.00 O ATOM 691 CB SER A 50 11.171 -16.262 -2.335 1.00 0.00 C ATOM 692 OG SER A 50 11.690 -16.463 -3.638 1.00 0.00 O ATOM 0 H SER A 50 8.446 -15.252 -3.604 1.00 0.00 H new ATOM 0 HA SER A 50 9.355 -17.190 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.454 -15.272 -1.976 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.610 -16.987 -1.649 1.00 0.00 H new ATOM 0 HG SER A 50 12.665 -16.369 -3.620 1.00 0.00 H new ATOM 698 N SER A 51 7.870 -16.625 -0.689 1.00 0.00 N ATOM 699 CA SER A 51 7.285 -16.945 0.608 1.00 0.00 C ATOM 700 C SER A 51 7.162 -18.455 0.792 1.00 0.00 C ATOM 701 O SER A 51 6.197 -19.070 0.341 1.00 0.00 O ATOM 702 CB SER A 51 5.910 -16.290 0.748 1.00 0.00 C ATOM 703 OG SER A 51 5.587 -16.067 2.109 1.00 0.00 O ATOM 0 H SER A 51 7.202 -16.285 -1.381 1.00 0.00 H new ATOM 0 HA SER A 51 7.946 -16.555 1.382 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.898 -15.343 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.152 -16.927 0.291 1.00 0.00 H new ATOM 0 HG SER A 51 4.704 -15.646 2.171 1.00 0.00 H new ATOM 709 N GLY A 52 8.150 -19.047 1.457 1.00 0.00 N ATOM 710 CA GLY A 52 8.134 -20.479 1.689 1.00 0.00 C ATOM 711 C GLY A 52 9.503 -21.024 2.046 1.00 0.00 C ATOM 712 O GLY A 52 10.530 -20.544 1.567 1.00 0.00 O ATOM 0 H GLY A 52 8.961 -18.560 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.435 -20.706 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.767 -20.985 0.796 1.00 0.00 H new ATOM 716 N PRO A 53 9.529 -22.049 2.910 1.00 0.00 N ATOM 717 CA PRO A 53 10.775 -22.681 3.351 1.00 0.00 C ATOM 718 C PRO A 53 11.450 -23.474 2.237 1.00 0.00 C ATOM 719 O PRO A 53 10.906 -23.608 1.140 1.00 0.00 O ATOM 720 CB PRO A 53 10.321 -23.617 4.474 1.00 0.00 C ATOM 721 CG PRO A 53 8.894 -23.914 4.165 1.00 0.00 C ATOM 722 CD PRO A 53 8.342 -22.672 3.521 1.00 0.00 C ATOM 0 HA PRO A 53 11.516 -21.945 3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.919 -24.528 4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.425 -23.144 5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.810 -24.771 3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.342 -24.162 5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.584 -22.909 2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.874 -22.014 4.253 1.00 0.00 H new ATOM 730 N SER A 54 12.636 -24.001 2.525 1.00 0.00 N ATOM 731 CA SER A 54 13.386 -24.778 1.546 1.00 0.00 C ATOM 732 C SER A 54 12.873 -26.214 1.485 1.00 0.00 C ATOM 733 O SER A 54 12.848 -26.920 2.492 1.00 0.00 O ATOM 734 CB SER A 54 14.876 -24.772 1.891 1.00 0.00 C ATOM 735 OG SER A 54 15.117 -25.429 3.123 1.00 0.00 O ATOM 0 H SER A 54 13.098 -23.904 3.429 1.00 0.00 H new ATOM 0 HA SER A 54 13.245 -24.317 0.568 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.438 -25.264 1.097 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.235 -23.744 1.947 1.00 0.00 H new ATOM 0 HG SER A 54 14.357 -26.009 3.338 1.00 0.00 H new ATOM 741 N SER A 55 12.464 -26.639 0.293 1.00 0.00 N ATOM 742 CA SER A 55 11.947 -27.988 0.099 1.00 0.00 C ATOM 743 C SER A 55 12.672 -28.983 1.000 1.00 0.00 C ATOM 744 O SER A 55 13.897 -28.957 1.114 1.00 0.00 O ATOM 745 CB SER A 55 12.095 -28.408 -1.365 1.00 0.00 C ATOM 746 OG SER A 55 13.444 -28.716 -1.673 1.00 0.00 O ATOM 0 H SER A 55 12.481 -26.068 -0.552 1.00 0.00 H new ATOM 0 HA SER A 55 10.890 -27.987 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.466 -29.276 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.744 -27.606 -2.014 1.00 0.00 H new ATOM 0 HG SER A 55 13.512 -28.983 -2.613 1.00 0.00 H new ATOM 752 N GLY A 56 11.905 -29.859 1.641 1.00 0.00 N ATOM 753 CA GLY A 56 12.490 -30.851 2.525 1.00 0.00 C ATOM 754 C GLY A 56 11.834 -32.210 2.388 1.00 0.00 C ATOM 755 O GLY A 56 10.626 -32.304 2.176 1.00 0.00 O ATOM 0 H GLY A 56 10.889 -29.900 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.555 -30.942 2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.401 -30.511 3.557 1.00 0.00 H new TER 759 GLY A 56