USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=17 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 Single : A 1 GLY N :NH3+ -177:sc= 0 (180deg=-0.015) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00856 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 29:sc= -0.658 USER MOD Single : A 11 ASN : amide:sc= -0.583 K(o=-0.58,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= 0.991 (180deg=0.613) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0426 USER MOD Single : A 23 SER OG : rot 30:sc= 1.07 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.51 K(o=-1.5,f=-6.5!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 28:sc= 0.072 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.608 13.739 -12.655 1.00 0.00 N ATOM 2 CA GLY A 1 13.383 13.089 -13.081 1.00 0.00 C ATOM 3 C GLY A 1 12.838 12.136 -12.035 1.00 0.00 C ATOM 4 O GLY A 1 11.636 12.112 -11.773 1.00 0.00 O ATOM 0 H1 GLY A 1 14.912 14.417 -13.382 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.441 14.243 -11.760 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.350 13.024 -12.516 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.632 13.847 -13.304 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.568 12.542 -14.005 1.00 0.00 H new ATOM 8 N SER A 2 13.725 11.346 -11.438 1.00 0.00 N ATOM 9 CA SER A 2 13.326 10.382 -10.419 1.00 0.00 C ATOM 10 C SER A 2 13.314 11.027 -9.037 1.00 0.00 C ATOM 11 O SER A 2 14.297 10.954 -8.298 1.00 0.00 O ATOM 12 CB SER A 2 14.272 9.180 -10.426 1.00 0.00 C ATOM 13 OG SER A 2 14.296 8.557 -11.699 1.00 0.00 O ATOM 0 H SER A 2 14.724 11.355 -11.642 1.00 0.00 H new ATOM 0 HA SER A 2 12.317 10.042 -10.651 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.278 9.503 -10.157 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.956 8.460 -9.671 1.00 0.00 H new ATOM 0 HG SER A 2 14.909 7.793 -11.678 1.00 0.00 H new ATOM 19 N SER A 3 12.196 11.657 -8.694 1.00 0.00 N ATOM 20 CA SER A 3 12.056 12.319 -7.402 1.00 0.00 C ATOM 21 C SER A 3 10.802 11.837 -6.678 1.00 0.00 C ATOM 22 O SER A 3 9.681 12.157 -7.073 1.00 0.00 O ATOM 23 CB SER A 3 12.001 13.836 -7.585 1.00 0.00 C ATOM 24 OG SER A 3 13.302 14.399 -7.574 1.00 0.00 O ATOM 0 H SER A 3 11.373 11.723 -9.293 1.00 0.00 H new ATOM 0 HA SER A 3 12.925 12.065 -6.796 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.506 14.074 -8.527 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.403 14.280 -6.789 1.00 0.00 H new ATOM 0 HG SER A 3 13.239 15.370 -7.694 1.00 0.00 H new ATOM 30 N GLY A 4 11.001 11.065 -5.614 1.00 0.00 N ATOM 31 CA GLY A 4 9.879 10.551 -4.850 1.00 0.00 C ATOM 32 C GLY A 4 10.289 9.464 -3.877 1.00 0.00 C ATOM 33 O GLY A 4 10.663 8.365 -4.286 1.00 0.00 O ATOM 0 H GLY A 4 11.919 10.786 -5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.413 11.369 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.128 10.157 -5.534 1.00 0.00 H new ATOM 37 N SER A 5 10.221 9.771 -2.585 1.00 0.00 N ATOM 38 CA SER A 5 10.594 8.813 -1.551 1.00 0.00 C ATOM 39 C SER A 5 9.387 7.989 -1.113 1.00 0.00 C ATOM 40 O SER A 5 8.684 8.351 -0.169 1.00 0.00 O ATOM 41 CB SER A 5 11.194 9.539 -0.346 1.00 0.00 C ATOM 42 OG SER A 5 11.256 8.687 0.784 1.00 0.00 O ATOM 0 H SER A 5 9.911 10.676 -2.230 1.00 0.00 H new ATOM 0 HA SER A 5 11.341 8.138 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.195 9.894 -0.593 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.593 10.417 -0.110 1.00 0.00 H new ATOM 0 HG SER A 5 11.645 9.174 1.540 1.00 0.00 H new ATOM 48 N SER A 6 9.153 6.879 -1.807 1.00 0.00 N ATOM 49 CA SER A 6 8.029 6.005 -1.494 1.00 0.00 C ATOM 50 C SER A 6 6.746 6.812 -1.315 1.00 0.00 C ATOM 51 O SER A 6 5.979 6.581 -0.381 1.00 0.00 O ATOM 52 CB SER A 6 8.319 5.200 -0.224 1.00 0.00 C ATOM 53 OG SER A 6 9.463 4.380 -0.392 1.00 0.00 O ATOM 0 H SER A 6 9.727 6.564 -2.589 1.00 0.00 H new ATOM 0 HA SER A 6 7.892 5.318 -2.329 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.474 5.880 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.457 4.581 0.023 1.00 0.00 H new ATOM 0 HG SER A 6 9.629 3.877 0.433 1.00 0.00 H new ATOM 59 N GLY A 7 6.520 7.760 -2.219 1.00 0.00 N ATOM 60 CA GLY A 7 5.330 8.587 -2.144 1.00 0.00 C ATOM 61 C GLY A 7 4.104 7.890 -2.699 1.00 0.00 C ATOM 62 O GLY A 7 3.136 7.653 -1.975 1.00 0.00 O ATOM 0 H GLY A 7 7.139 7.970 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.148 8.863 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.499 9.512 -2.695 1.00 0.00 H new ATOM 66 N TRP A 8 4.143 7.562 -3.985 1.00 0.00 N ATOM 67 CA TRP A 8 3.024 6.888 -4.636 1.00 0.00 C ATOM 68 C TRP A 8 3.310 5.401 -4.806 1.00 0.00 C ATOM 69 O TRP A 8 3.031 4.820 -5.856 1.00 0.00 O ATOM 70 CB TRP A 8 2.742 7.526 -5.998 1.00 0.00 C ATOM 71 CG TRP A 8 2.133 8.891 -5.900 1.00 0.00 C ATOM 72 CD1 TRP A 8 2.788 10.088 -5.963 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.746 9.200 -5.719 1.00 0.00 C ATOM 74 NE1 TRP A 8 1.892 11.122 -5.832 1.00 0.00 N ATOM 75 CE2 TRP A 8 0.633 10.603 -5.682 1.00 0.00 C ATOM 76 CE3 TRP A 8 -0.411 8.427 -5.587 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.590 11.247 -5.518 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -1.624 9.068 -5.424 1.00 0.00 C ATOM 79 CH2 TRP A 8 -1.707 10.467 -5.391 1.00 0.00 C ATOM 0 H TRP A 8 4.936 7.751 -4.598 1.00 0.00 H new ATOM 0 HA TRP A 8 2.145 6.999 -4.002 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.673 7.591 -6.560 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.073 6.877 -6.563 1.00 0.00 H new ATOM 0 HD1 TRP A 8 3.853 10.205 -6.096 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.126 12.115 -5.844 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.358 7.349 -5.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.655 12.325 -5.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.524 8.481 -5.320 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.670 10.938 -5.263 1.00 0.00 H new ATOM 90 N THR A 9 3.865 4.786 -3.767 1.00 0.00 N ATOM 91 CA THR A 9 4.189 3.366 -3.803 1.00 0.00 C ATOM 92 C THR A 9 3.849 2.691 -2.478 1.00 0.00 C ATOM 93 O THR A 9 4.263 3.149 -1.413 1.00 0.00 O ATOM 94 CB THR A 9 5.679 3.136 -4.116 1.00 0.00 C ATOM 95 OG1 THR A 9 6.491 3.707 -3.084 1.00 0.00 O ATOM 96 CG2 THR A 9 6.052 3.749 -5.458 1.00 0.00 C ATOM 0 H THR A 9 4.100 5.250 -2.889 1.00 0.00 H new ATOM 0 HA THR A 9 3.587 2.925 -4.598 1.00 0.00 H new ATOM 0 HB THR A 9 5.855 2.061 -4.164 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.000 3.693 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.109 3.574 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.454 3.291 -6.246 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.861 4.822 -5.434 1.00 0.00 H new ATOM 104 N CYS A 10 3.096 1.599 -2.552 1.00 0.00 N ATOM 105 CA CYS A 10 2.700 0.860 -1.358 1.00 0.00 C ATOM 106 C CYS A 10 3.774 -0.149 -0.963 1.00 0.00 C ATOM 107 O CYS A 10 4.647 -0.487 -1.762 1.00 0.00 O ATOM 108 CB CYS A 10 1.372 0.141 -1.595 1.00 0.00 C ATOM 109 SG CYS A 10 -0.099 1.164 -1.258 1.00 0.00 S ATOM 0 H CYS A 10 2.747 1.206 -3.426 1.00 0.00 H new ATOM 0 HA CYS A 10 2.578 1.573 -0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.335 -0.200 -2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.335 -0.748 -0.965 1.00 0.00 H new ATOM 114 N ASN A 11 3.703 -0.625 0.275 1.00 0.00 N ATOM 115 CA ASN A 11 4.669 -1.596 0.777 1.00 0.00 C ATOM 116 C ASN A 11 3.966 -2.852 1.284 1.00 0.00 C ATOM 117 O ASN A 11 2.864 -2.783 1.827 1.00 0.00 O ATOM 118 CB ASN A 11 5.507 -0.979 1.899 1.00 0.00 C ATOM 119 CG ASN A 11 6.797 -1.739 2.143 1.00 0.00 C ATOM 120 OD1 ASN A 11 7.810 -1.488 1.491 1.00 0.00 O ATOM 121 ND2 ASN A 11 6.763 -2.674 3.085 1.00 0.00 N ATOM 0 H ASN A 11 2.987 -0.355 0.949 1.00 0.00 H new ATOM 0 HA ASN A 11 5.326 -1.877 -0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.740 0.056 1.648 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.921 -0.959 2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.600 -3.219 3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.900 -2.848 3.600 1.00 0.00 H new ATOM 128 N LYS A 12 4.612 -3.999 1.101 1.00 0.00 N ATOM 129 CA LYS A 12 4.051 -5.271 1.540 1.00 0.00 C ATOM 130 C LYS A 12 3.358 -5.123 2.891 1.00 0.00 C ATOM 131 O LYS A 12 2.180 -5.454 3.035 1.00 0.00 O ATOM 132 CB LYS A 12 5.149 -6.332 1.633 1.00 0.00 C ATOM 133 CG LYS A 12 4.643 -7.752 1.448 1.00 0.00 C ATOM 134 CD LYS A 12 4.463 -8.092 -0.022 1.00 0.00 C ATOM 135 CE LYS A 12 3.985 -9.524 -0.208 1.00 0.00 C ATOM 136 NZ LYS A 12 2.537 -9.671 0.104 1.00 0.00 N ATOM 0 H LYS A 12 5.525 -4.073 0.652 1.00 0.00 H new ATOM 0 HA LYS A 12 3.311 -5.586 0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.907 -6.125 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.637 -6.253 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.346 -8.452 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.693 -7.872 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.744 -7.406 -0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.408 -7.951 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.168 -9.837 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.564 -10.186 0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.336 -10.658 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.288 -9.047 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.974 -9.411 -0.731 1.00 0.00 H new ATOM 150 N PHE A 13 4.095 -4.623 3.877 1.00 0.00 N ATOM 151 CA PHE A 13 3.549 -4.431 5.216 1.00 0.00 C ATOM 152 C PHE A 13 2.321 -3.528 5.179 1.00 0.00 C ATOM 153 O PHE A 13 1.267 -3.872 5.716 1.00 0.00 O ATOM 154 CB PHE A 13 4.611 -3.829 6.140 1.00 0.00 C ATOM 155 CG PHE A 13 5.577 -4.842 6.683 1.00 0.00 C ATOM 156 CD1 PHE A 13 5.122 -5.941 7.395 1.00 0.00 C ATOM 157 CD2 PHE A 13 6.940 -4.696 6.482 1.00 0.00 C ATOM 158 CE1 PHE A 13 6.009 -6.874 7.896 1.00 0.00 C ATOM 159 CE2 PHE A 13 7.832 -5.626 6.982 1.00 0.00 C ATOM 160 CZ PHE A 13 7.366 -6.718 7.689 1.00 0.00 C ATOM 0 H PHE A 13 5.071 -4.344 3.775 1.00 0.00 H new ATOM 0 HA PHE A 13 3.249 -5.405 5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.166 -3.066 5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.116 -3.329 6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.062 -6.069 7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.310 -3.846 5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.642 -7.725 8.450 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.892 -5.499 6.820 1.00 0.00 H new ATOM 0 HZ PHE A 13 8.061 -7.447 8.079 1.00 0.00 H new ATOM 170 N ARG A 14 2.463 -2.370 4.542 1.00 0.00 N ATOM 171 CA ARG A 14 1.365 -1.416 4.435 1.00 0.00 C ATOM 172 C ARG A 14 0.065 -2.123 4.068 1.00 0.00 C ATOM 173 O ARG A 14 -0.985 -1.859 4.654 1.00 0.00 O ATOM 174 CB ARG A 14 1.691 -0.347 3.391 1.00 0.00 C ATOM 175 CG ARG A 14 2.663 0.712 3.885 1.00 0.00 C ATOM 176 CD ARG A 14 2.635 1.950 3.003 1.00 0.00 C ATOM 177 NE ARG A 14 1.547 2.855 3.366 1.00 0.00 N ATOM 178 CZ ARG A 14 1.636 3.757 4.336 1.00 0.00 C ATOM 179 NH1 ARG A 14 2.755 3.874 5.038 1.00 0.00 N ATOM 180 NH2 ARG A 14 0.604 4.545 4.608 1.00 0.00 N ATOM 0 H ARG A 14 3.328 -2.070 4.092 1.00 0.00 H new ATOM 0 HA ARG A 14 1.236 -0.938 5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.111 -0.830 2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.766 0.138 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.412 0.988 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.672 0.300 3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.586 2.475 3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.525 1.650 1.961 1.00 0.00 H new ATOM 0 HE ARG A 14 0.672 2.790 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.551 3.270 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.820 4.568 5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.259 4.458 4.072 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.674 5.238 5.354 1.00 0.00 H new ATOM 194 N CYS A 15 0.141 -3.022 3.092 1.00 0.00 N ATOM 195 CA CYS A 15 -1.030 -3.767 2.644 1.00 0.00 C ATOM 196 C CYS A 15 -1.922 -4.140 3.824 1.00 0.00 C ATOM 197 O CYS A 15 -1.518 -4.897 4.707 1.00 0.00 O ATOM 198 CB CYS A 15 -0.600 -5.031 1.896 1.00 0.00 C ATOM 199 SG CYS A 15 0.641 -4.739 0.595 1.00 0.00 S ATOM 0 H CYS A 15 1.002 -3.252 2.596 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.600 -3.129 1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.197 -5.746 2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.480 -5.492 1.447 1.00 0.00 H new ATOM 204 N GLY A 16 -3.138 -3.602 3.835 1.00 0.00 N ATOM 205 CA GLY A 16 -4.067 -3.889 4.911 1.00 0.00 C ATOM 206 C GLY A 16 -3.854 -2.996 6.116 1.00 0.00 C ATOM 207 O GLY A 16 -3.973 -3.442 7.257 1.00 0.00 O ATOM 0 H GLY A 16 -3.496 -2.972 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.087 -3.766 4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.959 -4.931 5.212 1.00 0.00 H new ATOM 211 N GLU A 17 -3.537 -1.730 5.863 1.00 0.00 N ATOM 212 CA GLU A 17 -3.304 -0.771 6.937 1.00 0.00 C ATOM 213 C GLU A 17 -4.595 -0.045 7.308 1.00 0.00 C ATOM 214 O GLU A 17 -5.565 -0.054 6.550 1.00 0.00 O ATOM 215 CB GLU A 17 -2.235 0.243 6.525 1.00 0.00 C ATOM 216 CG GLU A 17 -2.601 1.042 5.285 1.00 0.00 C ATOM 217 CD GLU A 17 -3.348 2.320 5.614 1.00 0.00 C ATOM 218 OE1 GLU A 17 -2.896 3.055 6.517 1.00 0.00 O ATOM 219 OE2 GLU A 17 -4.385 2.584 4.971 1.00 0.00 O ATOM 0 H GLU A 17 -3.436 -1.345 4.924 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.953 -1.321 7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.061 0.931 7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.297 -0.283 6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.693 1.288 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.215 0.426 4.628 1.00 0.00 H new ATOM 226 N LYS A 18 -4.597 0.583 8.478 1.00 0.00 N ATOM 227 CA LYS A 18 -5.766 1.316 8.951 1.00 0.00 C ATOM 228 C LYS A 18 -6.015 2.553 8.095 1.00 0.00 C ATOM 229 O LYS A 18 -5.172 2.938 7.284 1.00 0.00 O ATOM 230 CB LYS A 18 -5.581 1.723 10.414 1.00 0.00 C ATOM 231 CG LYS A 18 -4.506 2.776 10.622 1.00 0.00 C ATOM 232 CD LYS A 18 -3.885 2.675 12.005 1.00 0.00 C ATOM 233 CE LYS A 18 -2.446 3.166 12.007 1.00 0.00 C ATOM 234 NZ LYS A 18 -1.851 3.131 13.372 1.00 0.00 N ATOM 0 H LYS A 18 -3.802 0.600 9.117 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.633 0.660 8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.528 2.102 10.799 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.329 0.839 10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.731 2.660 9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.937 3.768 10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.472 3.262 12.712 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.918 1.640 12.345 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.850 2.548 11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.409 4.184 11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.870 3.473 13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.404 3.740 14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.863 2.155 13.731 1.00 0.00 H new ATOM 248 N ARG A 19 -7.176 3.173 8.283 1.00 0.00 N ATOM 249 CA ARG A 19 -7.535 4.368 7.527 1.00 0.00 C ATOM 250 C ARG A 19 -6.311 5.249 7.292 1.00 0.00 C ATOM 251 O ARG A 19 -5.742 5.803 8.233 1.00 0.00 O ATOM 252 CB ARG A 19 -8.613 5.160 8.269 1.00 0.00 C ATOM 253 CG ARG A 19 -9.999 4.545 8.165 1.00 0.00 C ATOM 254 CD ARG A 19 -11.081 5.544 8.545 1.00 0.00 C ATOM 255 NE ARG A 19 -11.110 6.689 7.639 1.00 0.00 N ATOM 256 CZ ARG A 19 -12.185 7.444 7.442 1.00 0.00 C ATOM 257 NH1 ARG A 19 -13.314 7.176 8.086 1.00 0.00 N ATOM 258 NH2 ARG A 19 -12.133 8.469 6.601 1.00 0.00 N ATOM 0 H ARG A 19 -7.883 2.868 8.952 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.926 4.054 6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.337 5.237 9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.644 6.175 7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.167 4.194 7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.062 3.674 8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.052 5.049 8.535 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.912 5.892 9.564 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.258 6.922 7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.357 6.389 8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.138 7.757 7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.267 8.678 6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.959 9.048 6.451 1.00 0.00 H new ATOM 272 N LEU A 20 -5.914 5.374 6.030 1.00 0.00 N ATOM 273 CA LEU A 20 -4.758 6.188 5.671 1.00 0.00 C ATOM 274 C LEU A 20 -4.819 7.552 6.351 1.00 0.00 C ATOM 275 O LEU A 20 -5.803 7.885 7.013 1.00 0.00 O ATOM 276 CB LEU A 20 -4.687 6.365 4.152 1.00 0.00 C ATOM 277 CG LEU A 20 -5.544 7.488 3.567 1.00 0.00 C ATOM 278 CD1 LEU A 20 -5.034 7.886 2.191 1.00 0.00 C ATOM 279 CD2 LEU A 20 -7.003 7.062 3.495 1.00 0.00 C ATOM 0 H LEU A 20 -6.375 4.923 5.240 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.861 5.672 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.648 6.546 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.983 5.427 3.683 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.472 8.355 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.656 8.686 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.004 8.232 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.076 7.025 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.599 7.873 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.094 6.180 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.363 6.827 4.497 1.00 0.00 H new ATOM 291 N THR A 21 -3.763 8.341 6.181 1.00 0.00 N ATOM 292 CA THR A 21 -3.696 9.669 6.776 1.00 0.00 C ATOM 293 C THR A 21 -2.882 10.621 5.908 1.00 0.00 C ATOM 294 O THR A 21 -1.670 10.464 5.765 1.00 0.00 O ATOM 295 CB THR A 21 -3.077 9.622 8.186 1.00 0.00 C ATOM 296 OG1 THR A 21 -3.728 8.619 8.974 1.00 0.00 O ATOM 297 CG2 THR A 21 -3.197 10.973 8.875 1.00 0.00 C ATOM 0 H THR A 21 -2.941 8.082 5.635 1.00 0.00 H new ATOM 0 HA THR A 21 -4.720 10.034 6.848 1.00 0.00 H new ATOM 0 HB THR A 21 -2.020 9.375 8.087 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.328 8.595 9.868 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.753 10.915 9.869 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.675 11.729 8.288 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.249 11.245 8.963 1.00 0.00 H new ATOM 305 N ARG A 22 -3.557 11.610 5.329 1.00 0.00 N ATOM 306 CA ARG A 22 -2.895 12.588 4.474 1.00 0.00 C ATOM 307 C ARG A 22 -1.825 11.923 3.615 1.00 0.00 C ATOM 308 O ARG A 22 -0.721 12.447 3.466 1.00 0.00 O ATOM 309 CB ARG A 22 -2.269 13.697 5.321 1.00 0.00 C ATOM 310 CG ARG A 22 -3.291 14.590 6.008 1.00 0.00 C ATOM 311 CD ARG A 22 -3.996 15.497 5.012 1.00 0.00 C ATOM 312 NE ARG A 22 -3.227 16.710 4.738 1.00 0.00 N ATOM 313 CZ ARG A 22 -3.519 17.557 3.758 1.00 0.00 C ATOM 314 NH1 ARG A 22 -4.555 17.327 2.963 1.00 0.00 N ATOM 315 NH2 ARG A 22 -2.772 18.639 3.571 1.00 0.00 N ATOM 0 H ARG A 22 -4.561 11.755 5.437 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.646 13.024 3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.626 13.246 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.631 14.311 4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.027 13.973 6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.795 15.196 6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.161 14.954 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.977 15.770 5.401 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.423 16.917 5.331 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.131 16.497 3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.776 17.980 2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.974 18.819 4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.996 19.290 2.818 1.00 0.00 H new ATOM 329 N SER A 23 -2.159 10.766 3.053 1.00 0.00 N ATOM 330 CA SER A 23 -1.224 10.026 2.213 1.00 0.00 C ATOM 331 C SER A 23 -1.708 9.987 0.766 1.00 0.00 C ATOM 332 O SER A 23 -2.911 9.961 0.502 1.00 0.00 O ATOM 333 CB SER A 23 -1.047 8.601 2.741 1.00 0.00 C ATOM 334 OG SER A 23 -0.628 8.609 4.095 1.00 0.00 O ATOM 0 H SER A 23 -3.070 10.321 3.164 1.00 0.00 H new ATOM 0 HA SER A 23 -0.263 10.539 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.987 8.057 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.313 8.073 2.133 1.00 0.00 H new ATOM 0 HG SER A 23 -0.984 9.405 4.543 1.00 0.00 H new ATOM 340 N LEU A 24 -0.763 9.983 -0.167 1.00 0.00 N ATOM 341 CA LEU A 24 -1.090 9.948 -1.588 1.00 0.00 C ATOM 342 C LEU A 24 -2.078 8.826 -1.891 1.00 0.00 C ATOM 343 O LEU A 24 -3.150 9.062 -2.450 1.00 0.00 O ATOM 344 CB LEU A 24 0.179 9.764 -2.420 1.00 0.00 C ATOM 345 CG LEU A 24 1.279 10.804 -2.208 1.00 0.00 C ATOM 346 CD1 LEU A 24 2.551 10.394 -2.934 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.814 12.175 -2.676 1.00 0.00 C ATOM 0 H LEU A 24 0.237 10.004 0.035 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.554 10.898 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.592 8.779 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.098 9.768 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 24 1.497 10.860 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.322 11.147 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.895 9.433 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.349 10.307 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.610 12.903 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.567 12.133 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.068 12.473 -2.109 1.00 0.00 H new ATOM 359 N CYS A 25 -1.712 7.605 -1.516 1.00 0.00 N ATOM 360 CA CYS A 25 -2.566 6.446 -1.747 1.00 0.00 C ATOM 361 C CYS A 25 -2.905 5.752 -0.430 1.00 0.00 C ATOM 362 O CYS A 25 -2.409 6.131 0.630 1.00 0.00 O ATOM 363 CB CYS A 25 -1.878 5.459 -2.693 1.00 0.00 C ATOM 364 SG CYS A 25 -0.461 4.585 -1.956 1.00 0.00 S ATOM 0 H CYS A 25 -0.830 7.392 -1.051 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.492 6.793 -2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.610 4.724 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.538 5.997 -3.578 1.00 0.00 H new ATOM 369 N ALA A 26 -3.754 4.732 -0.508 1.00 0.00 N ATOM 370 CA ALA A 26 -4.158 3.983 0.676 1.00 0.00 C ATOM 371 C ALA A 26 -3.964 2.485 0.471 1.00 0.00 C ATOM 372 O ALA A 26 -4.642 1.866 -0.351 1.00 0.00 O ATOM 373 CB ALA A 26 -5.608 4.286 1.022 1.00 0.00 C ATOM 0 H ALA A 26 -4.175 4.406 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.524 4.295 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.897 3.720 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.720 5.352 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.248 4.003 0.186 1.00 0.00 H new ATOM 379 N CYS A 27 -3.032 1.905 1.221 1.00 0.00 N ATOM 380 CA CYS A 27 -2.747 0.480 1.121 1.00 0.00 C ATOM 381 C CYS A 27 -3.642 -0.322 2.062 1.00 0.00 C ATOM 382 O CYS A 27 -3.185 -1.246 2.734 1.00 0.00 O ATOM 383 CB CYS A 27 -1.277 0.208 1.444 1.00 0.00 C ATOM 384 SG CYS A 27 -0.124 1.437 0.750 1.00 0.00 S ATOM 0 H CYS A 27 -2.461 2.402 1.905 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.952 0.166 0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.153 0.180 2.527 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.010 -0.779 1.067 1.00 0.00 H new ATOM 389 N SER A 28 -4.921 0.038 2.103 1.00 0.00 N ATOM 390 CA SER A 28 -5.880 -0.644 2.963 1.00 0.00 C ATOM 391 C SER A 28 -6.986 -1.293 2.137 1.00 0.00 C ATOM 392 O SER A 28 -7.029 -1.148 0.914 1.00 0.00 O ATOM 393 CB SER A 28 -6.488 0.340 3.965 1.00 0.00 C ATOM 394 OG SER A 28 -7.276 1.317 3.308 1.00 0.00 O ATOM 0 H SER A 28 -5.317 0.798 1.550 1.00 0.00 H new ATOM 0 HA SER A 28 -5.350 -1.426 3.507 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.101 -0.202 4.685 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.693 0.829 4.528 1.00 0.00 H new ATOM 0 HG SER A 28 -7.654 1.932 3.971 1.00 0.00 H new ATOM 400 N ASP A 29 -7.877 -2.010 2.812 1.00 0.00 N ATOM 401 CA ASP A 29 -8.984 -2.682 2.141 1.00 0.00 C ATOM 402 C ASP A 29 -9.993 -1.669 1.608 1.00 0.00 C ATOM 403 O ASP A 29 -10.512 -1.817 0.503 1.00 0.00 O ATOM 404 CB ASP A 29 -9.676 -3.652 3.101 1.00 0.00 C ATOM 405 CG ASP A 29 -8.733 -4.716 3.628 1.00 0.00 C ATOM 406 OD1 ASP A 29 -7.533 -4.415 3.793 1.00 0.00 O ATOM 407 OD2 ASP A 29 -9.196 -5.850 3.874 1.00 0.00 O ATOM 0 H ASP A 29 -7.855 -2.141 3.823 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.579 -3.242 1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.094 -3.094 3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.511 -4.131 2.590 1.00 0.00 H new ATOM 412 N ASP A 30 -10.265 -0.639 2.403 1.00 0.00 N ATOM 413 CA ASP A 30 -11.212 0.399 2.012 1.00 0.00 C ATOM 414 C ASP A 30 -10.945 0.866 0.584 1.00 0.00 C ATOM 415 O ASP A 30 -11.874 1.049 -0.204 1.00 0.00 O ATOM 416 CB ASP A 30 -11.128 1.584 2.974 1.00 0.00 C ATOM 417 CG ASP A 30 -11.088 1.150 4.426 1.00 0.00 C ATOM 418 OD1 ASP A 30 -11.867 0.246 4.795 1.00 0.00 O ATOM 419 OD2 ASP A 30 -10.281 1.714 5.193 1.00 0.00 O ATOM 0 H ASP A 30 -9.843 -0.501 3.321 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.216 -0.023 2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.236 2.169 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.986 2.237 2.817 1.00 0.00 H new ATOM 424 N CYS A 31 -9.671 1.060 0.258 1.00 0.00 N ATOM 425 CA CYS A 31 -9.283 1.508 -1.073 1.00 0.00 C ATOM 426 C CYS A 31 -10.046 0.742 -2.150 1.00 0.00 C ATOM 427 O CYS A 31 -10.510 1.324 -3.131 1.00 0.00 O ATOM 428 CB CYS A 31 -7.777 1.328 -1.275 1.00 0.00 C ATOM 429 SG CYS A 31 -7.308 -0.292 -1.968 1.00 0.00 S ATOM 0 H CYS A 31 -8.890 0.914 0.898 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.532 2.566 -1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.414 2.114 -1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.274 1.461 -0.317 1.00 0.00 H new ATOM 434 N LYS A 32 -10.173 -0.567 -1.960 1.00 0.00 N ATOM 435 CA LYS A 32 -10.882 -1.414 -2.912 1.00 0.00 C ATOM 436 C LYS A 32 -12.205 -0.777 -3.328 1.00 0.00 C ATOM 437 O LYS A 32 -12.589 -0.829 -4.495 1.00 0.00 O ATOM 438 CB LYS A 32 -11.137 -2.795 -2.306 1.00 0.00 C ATOM 439 CG LYS A 32 -9.876 -3.622 -2.123 1.00 0.00 C ATOM 440 CD LYS A 32 -9.261 -4.004 -3.459 1.00 0.00 C ATOM 441 CE LYS A 32 -8.033 -4.882 -3.277 1.00 0.00 C ATOM 442 NZ LYS A 32 -7.204 -4.939 -4.512 1.00 0.00 N ATOM 0 H LYS A 32 -9.794 -1.065 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.257 -1.523 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.625 -2.674 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.830 -3.341 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.152 -3.057 -1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.110 -4.524 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.000 -4.531 -4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.987 -3.102 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.431 -4.498 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.345 -5.890 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.377 -5.547 -4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.770 -5.329 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.885 -3.981 -4.761 1.00 0.00 H new ATOM 456 N ASP A 33 -12.894 -0.175 -2.365 1.00 0.00 N ATOM 457 CA ASP A 33 -14.172 0.474 -2.631 1.00 0.00 C ATOM 458 C ASP A 33 -13.978 1.731 -3.475 1.00 0.00 C ATOM 459 O ASP A 33 -14.472 1.818 -4.598 1.00 0.00 O ATOM 460 CB ASP A 33 -14.872 0.829 -1.318 1.00 0.00 C ATOM 461 CG ASP A 33 -14.902 -0.334 -0.346 1.00 0.00 C ATOM 462 OD1 ASP A 33 -13.937 -0.482 0.432 1.00 0.00 O ATOM 463 OD2 ASP A 33 -15.891 -1.096 -0.363 1.00 0.00 O ATOM 0 H ASP A 33 -12.589 -0.123 -1.393 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.796 -0.224 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.362 1.673 -0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.892 1.149 -1.529 1.00 0.00 H new ATOM 468 N GLN A 34 -13.256 2.701 -2.923 1.00 0.00 N ATOM 469 CA GLN A 34 -12.998 3.954 -3.624 1.00 0.00 C ATOM 470 C GLN A 34 -12.030 3.739 -4.783 1.00 0.00 C ATOM 471 O GLN A 34 -12.389 3.920 -5.946 1.00 0.00 O ATOM 472 CB GLN A 34 -12.434 4.997 -2.658 1.00 0.00 C ATOM 473 CG GLN A 34 -13.503 5.826 -1.965 1.00 0.00 C ATOM 474 CD GLN A 34 -12.976 7.158 -1.468 1.00 0.00 C ATOM 475 OE1 GLN A 34 -13.196 8.197 -2.093 1.00 0.00 O ATOM 476 NE2 GLN A 34 -12.278 7.136 -0.340 1.00 0.00 N ATOM 0 H GLN A 34 -12.840 2.644 -1.994 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.943 4.318 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.831 4.492 -1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.767 5.663 -3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.327 6.001 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.906 5.262 -1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.120 6.253 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.899 8.002 0.042 1.00 0.00 H new ATOM 485 N GLY A 35 -10.800 3.353 -4.457 1.00 0.00 N ATOM 486 CA GLY A 35 -9.800 3.122 -5.482 1.00 0.00 C ATOM 487 C GLY A 35 -8.636 4.089 -5.385 1.00 0.00 C ATOM 488 O GLY A 35 -8.277 4.739 -6.367 1.00 0.00 O ATOM 0 H GLY A 35 -10.479 3.196 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.428 2.101 -5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.263 3.213 -6.464 1.00 0.00 H new ATOM 492 N ASP A 36 -8.046 4.186 -4.198 1.00 0.00 N ATOM 493 CA ASP A 36 -6.916 5.080 -3.977 1.00 0.00 C ATOM 494 C ASP A 36 -5.608 4.299 -3.910 1.00 0.00 C ATOM 495 O ASP A 36 -4.525 4.867 -4.052 1.00 0.00 O ATOM 496 CB ASP A 36 -7.116 5.878 -2.687 1.00 0.00 C ATOM 497 CG ASP A 36 -6.443 7.235 -2.735 1.00 0.00 C ATOM 498 OD1 ASP A 36 -6.225 7.749 -3.852 1.00 0.00 O ATOM 499 OD2 ASP A 36 -6.133 7.783 -1.656 1.00 0.00 O ATOM 0 H ASP A 36 -8.332 3.656 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.861 5.771 -4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.183 6.011 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.720 5.309 -1.846 1.00 0.00 H new ATOM 504 N CYS A 37 -5.717 2.993 -3.691 1.00 0.00 N ATOM 505 CA CYS A 37 -4.543 2.133 -3.603 1.00 0.00 C ATOM 506 C CYS A 37 -3.522 2.493 -4.678 1.00 0.00 C ATOM 507 O CYS A 37 -3.829 2.477 -5.871 1.00 0.00 O ATOM 508 CB CYS A 37 -4.949 0.664 -3.742 1.00 0.00 C ATOM 509 SG CYS A 37 -5.325 -0.157 -2.160 1.00 0.00 S ATOM 0 H CYS A 37 -6.606 2.507 -3.571 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.085 2.286 -2.626 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.824 0.600 -4.389 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.145 0.121 -4.238 1.00 0.00 H new ATOM 514 N CYS A 38 -2.307 2.817 -4.248 1.00 0.00 N ATOM 515 CA CYS A 38 -1.241 3.181 -5.173 1.00 0.00 C ATOM 516 C CYS A 38 -1.343 2.379 -6.465 1.00 0.00 C ATOM 517 O CYS A 38 -1.850 1.256 -6.473 1.00 0.00 O ATOM 518 CB CYS A 38 0.126 2.952 -4.522 1.00 0.00 C ATOM 519 SG CYS A 38 0.770 4.394 -3.615 1.00 0.00 S ATOM 0 H CYS A 38 -2.036 2.835 -3.265 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.349 4.238 -5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.053 2.108 -3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.842 2.673 -5.295 1.00 0.00 H new ATOM 524 N ILE A 39 -0.857 2.960 -7.557 1.00 0.00 N ATOM 525 CA ILE A 39 -0.892 2.298 -8.855 1.00 0.00 C ATOM 526 C ILE A 39 -0.246 0.918 -8.786 1.00 0.00 C ATOM 527 O ILE A 39 -0.749 -0.042 -9.367 1.00 0.00 O ATOM 528 CB ILE A 39 -0.177 3.134 -9.932 1.00 0.00 C ATOM 529 CG1 ILE A 39 -0.285 2.448 -11.296 1.00 0.00 C ATOM 530 CG2 ILE A 39 1.282 3.347 -9.556 1.00 0.00 C ATOM 531 CD1 ILE A 39 0.076 3.349 -12.456 1.00 0.00 C ATOM 0 H ILE A 39 -0.434 3.888 -7.568 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.942 2.192 -9.127 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.662 4.108 -9.996 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.368 1.575 -11.307 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.304 2.085 -11.432 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.774 3.940 -10.327 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.339 3.873 -8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.780 2.381 -9.468 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.023 2.797 -13.390 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.593 4.209 -12.470 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.105 3.691 -12.344 1.00 0.00 H new ATOM 543 N ASN A 40 0.869 0.828 -8.070 1.00 0.00 N ATOM 544 CA ASN A 40 1.584 -0.435 -7.924 1.00 0.00 C ATOM 545 C ASN A 40 1.218 -1.118 -6.609 1.00 0.00 C ATOM 546 O ASN A 40 2.089 -1.606 -5.888 1.00 0.00 O ATOM 547 CB ASN A 40 3.095 -0.201 -7.987 1.00 0.00 C ATOM 548 CG ASN A 40 3.580 0.738 -6.900 1.00 0.00 C ATOM 549 OD1 ASN A 40 3.141 1.885 -6.814 1.00 0.00 O ATOM 550 ND2 ASN A 40 4.491 0.254 -6.064 1.00 0.00 N ATOM 0 H ASN A 40 1.298 1.614 -7.582 1.00 0.00 H new ATOM 0 HA ASN A 40 1.290 -1.087 -8.746 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.612 -1.156 -7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.356 0.211 -8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.856 0.839 -5.312 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.826 -0.703 -6.173 1.00 0.00 H new ATOM 557 N TYR A 41 -0.075 -1.149 -6.305 1.00 0.00 N ATOM 558 CA TYR A 41 -0.556 -1.771 -5.077 1.00 0.00 C ATOM 559 C TYR A 41 -0.623 -3.287 -5.223 1.00 0.00 C ATOM 560 O TYR A 41 -0.215 -4.027 -4.328 1.00 0.00 O ATOM 561 CB TYR A 41 -1.935 -1.220 -4.709 1.00 0.00 C ATOM 562 CG TYR A 41 -2.617 -1.988 -3.599 1.00 0.00 C ATOM 563 CD1 TYR A 41 -3.425 -3.084 -3.880 1.00 0.00 C ATOM 564 CD2 TYR A 41 -2.452 -1.620 -2.270 1.00 0.00 C ATOM 565 CE1 TYR A 41 -4.051 -3.787 -2.869 1.00 0.00 C ATOM 566 CE2 TYR A 41 -3.072 -2.319 -1.253 1.00 0.00 C ATOM 567 CZ TYR A 41 -3.871 -3.402 -1.557 1.00 0.00 C ATOM 568 OH TYR A 41 -4.491 -4.101 -0.548 1.00 0.00 O ATOM 0 H TYR A 41 -0.808 -0.751 -6.892 1.00 0.00 H new ATOM 0 HA TYR A 41 0.148 -1.533 -4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.832 -0.177 -4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.571 -1.235 -5.594 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.566 -3.391 -4.906 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.828 -0.772 -2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.678 -4.634 -3.105 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.932 -2.019 -0.225 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.260 -3.702 0.317 1.00 0.00 H new ATOM 578 N SER A 42 -1.141 -3.743 -6.360 1.00 0.00 N ATOM 579 CA SER A 42 -1.266 -5.171 -6.624 1.00 0.00 C ATOM 580 C SER A 42 0.106 -5.808 -6.825 1.00 0.00 C ATOM 581 O SER A 42 0.374 -6.902 -6.328 1.00 0.00 O ATOM 582 CB SER A 42 -2.136 -5.409 -7.859 1.00 0.00 C ATOM 583 OG SER A 42 -1.595 -4.759 -8.997 1.00 0.00 O ATOM 0 H SER A 42 -1.481 -3.144 -7.112 1.00 0.00 H new ATOM 0 HA SER A 42 -1.740 -5.635 -5.759 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.216 -6.479 -8.051 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.146 -5.043 -7.673 1.00 0.00 H new ATOM 0 HG SER A 42 -2.168 -4.928 -9.774 1.00 0.00 H new ATOM 589 N SER A 43 0.972 -5.114 -7.558 1.00 0.00 N ATOM 590 CA SER A 43 2.316 -5.613 -7.829 1.00 0.00 C ATOM 591 C SER A 43 3.107 -5.773 -6.534 1.00 0.00 C ATOM 592 O SER A 43 3.813 -6.763 -6.343 1.00 0.00 O ATOM 593 CB SER A 43 3.052 -4.665 -8.776 1.00 0.00 C ATOM 594 OG SER A 43 4.225 -5.270 -9.294 1.00 0.00 O ATOM 0 H SER A 43 0.767 -4.206 -7.974 1.00 0.00 H new ATOM 0 HA SER A 43 2.226 -6.591 -8.302 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.393 -4.381 -9.596 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.315 -3.749 -8.247 1.00 0.00 H new ATOM 0 HG SER A 43 4.677 -4.644 -9.898 1.00 0.00 H new ATOM 600 N VAL A 44 2.983 -4.791 -5.647 1.00 0.00 N ATOM 601 CA VAL A 44 3.685 -4.823 -4.369 1.00 0.00 C ATOM 602 C VAL A 44 3.025 -5.800 -3.403 1.00 0.00 C ATOM 603 O VAL A 44 3.685 -6.673 -2.839 1.00 0.00 O ATOM 604 CB VAL A 44 3.729 -3.427 -3.719 1.00 0.00 C ATOM 605 CG1 VAL A 44 4.411 -3.491 -2.362 1.00 0.00 C ATOM 606 CG2 VAL A 44 4.436 -2.436 -4.633 1.00 0.00 C ATOM 0 H VAL A 44 2.403 -3.964 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 44 4.703 -5.153 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 44 2.706 -3.083 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.433 -2.496 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.859 -4.167 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.431 -3.856 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.458 -1.455 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.456 -2.774 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.901 -2.369 -5.580 1.00 0.00 H new ATOM 616 N CYS A 45 1.718 -5.647 -3.216 1.00 0.00 N ATOM 617 CA CYS A 45 0.967 -6.516 -2.319 1.00 0.00 C ATOM 618 C CYS A 45 0.818 -7.914 -2.913 1.00 0.00 C ATOM 619 O CYS A 45 1.367 -8.882 -2.388 1.00 0.00 O ATOM 620 CB CYS A 45 -0.414 -5.920 -2.036 1.00 0.00 C ATOM 621 SG CYS A 45 -0.371 -4.354 -1.108 1.00 0.00 S ATOM 0 H CYS A 45 1.157 -4.929 -3.674 1.00 0.00 H new ATOM 0 HA CYS A 45 1.520 -6.596 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.928 -5.755 -2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.003 -6.646 -1.476 1.00 0.00 H new ATOM 626 N GLN A 46 0.073 -8.009 -4.008 1.00 0.00 N ATOM 627 CA GLN A 46 -0.147 -9.287 -4.673 1.00 0.00 C ATOM 628 C GLN A 46 1.069 -9.689 -5.501 1.00 0.00 C ATOM 629 O GLN A 46 1.204 -9.288 -6.656 1.00 0.00 O ATOM 630 CB GLN A 46 -1.387 -9.215 -5.567 1.00 0.00 C ATOM 631 CG GLN A 46 -2.683 -9.028 -4.796 1.00 0.00 C ATOM 632 CD GLN A 46 -3.900 -9.468 -5.586 1.00 0.00 C ATOM 633 OE1 GLN A 46 -4.331 -10.618 -5.495 1.00 0.00 O ATOM 634 NE2 GLN A 46 -4.463 -8.552 -6.366 1.00 0.00 N ATOM 0 H GLN A 46 -0.389 -7.216 -4.454 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.305 -10.044 -3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.270 -8.390 -6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.453 -10.130 -6.156 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.633 -9.595 -3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.791 -7.978 -4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.073 -7.611 -6.411 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.286 -8.790 -6.920 1.00 0.00 H new ATOM 643 N GLY A 47 1.951 -10.482 -4.902 1.00 0.00 N ATOM 644 CA GLY A 47 3.146 -10.923 -5.599 1.00 0.00 C ATOM 645 C GLY A 47 2.949 -12.251 -6.302 1.00 0.00 C ATOM 646 O GLY A 47 2.035 -12.402 -7.112 1.00 0.00 O ATOM 0 H GLY A 47 1.860 -10.827 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.436 -10.168 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.967 -11.010 -4.887 1.00 0.00 H new ATOM 650 N GLU A 48 3.810 -13.216 -5.993 1.00 0.00 N ATOM 651 CA GLU A 48 3.727 -14.537 -6.603 1.00 0.00 C ATOM 652 C GLU A 48 2.806 -15.451 -5.801 1.00 0.00 C ATOM 653 O GLU A 48 1.792 -15.932 -6.309 1.00 0.00 O ATOM 654 CB GLU A 48 5.120 -15.163 -6.707 1.00 0.00 C ATOM 655 CG GLU A 48 5.181 -16.362 -7.640 1.00 0.00 C ATOM 656 CD GLU A 48 6.599 -16.841 -7.883 1.00 0.00 C ATOM 657 OE1 GLU A 48 7.311 -17.112 -6.894 1.00 0.00 O ATOM 658 OE2 GLU A 48 6.995 -16.946 -9.063 1.00 0.00 O ATOM 0 H GLU A 48 4.572 -13.107 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 48 3.312 -14.421 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.824 -14.407 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.446 -15.470 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.594 -17.177 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.722 -16.100 -8.593 1.00 0.00 H new ATOM 665 N LYS A 49 3.166 -15.687 -4.543 1.00 0.00 N ATOM 666 CA LYS A 49 2.372 -16.541 -3.668 1.00 0.00 C ATOM 667 C LYS A 49 1.780 -15.740 -2.514 1.00 0.00 C ATOM 668 O LYS A 49 2.197 -14.611 -2.252 1.00 0.00 O ATOM 669 CB LYS A 49 3.232 -17.683 -3.121 1.00 0.00 C ATOM 670 CG LYS A 49 3.802 -18.587 -4.200 1.00 0.00 C ATOM 671 CD LYS A 49 4.573 -19.752 -3.602 1.00 0.00 C ATOM 672 CE LYS A 49 4.578 -20.954 -4.534 1.00 0.00 C ATOM 673 NZ LYS A 49 5.477 -22.034 -4.041 1.00 0.00 N ATOM 0 H LYS A 49 4.002 -15.299 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 49 1.553 -16.957 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.053 -17.262 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.632 -18.282 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.992 -18.967 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.460 -18.010 -4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.599 -19.444 -3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.128 -20.032 -2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.564 -21.342 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.897 -20.641 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.453 -22.835 -4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.449 -21.672 -3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.158 -22.350 -3.103 1.00 0.00 H new ATOM 687 N SER A 50 0.807 -16.329 -1.827 1.00 0.00 N ATOM 688 CA SER A 50 0.156 -15.667 -0.702 1.00 0.00 C ATOM 689 C SER A 50 0.166 -16.562 0.533 1.00 0.00 C ATOM 690 O SER A 50 -0.830 -16.658 1.251 1.00 0.00 O ATOM 691 CB SER A 50 -1.284 -15.295 -1.065 1.00 0.00 C ATOM 692 OG SER A 50 -1.314 -14.321 -2.094 1.00 0.00 O ATOM 0 H SER A 50 0.452 -17.263 -2.029 1.00 0.00 H new ATOM 0 HA SER A 50 0.712 -14.757 -0.475 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.823 -16.186 -1.387 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.798 -14.913 -0.183 1.00 0.00 H new ATOM 0 HG SER A 50 -2.244 -14.101 -2.309 1.00 0.00 H new ATOM 698 N SER A 51 1.298 -17.214 0.776 1.00 0.00 N ATOM 699 CA SER A 51 1.437 -18.104 1.922 1.00 0.00 C ATOM 700 C SER A 51 1.640 -17.307 3.206 1.00 0.00 C ATOM 701 O SER A 51 2.485 -16.416 3.271 1.00 0.00 O ATOM 702 CB SER A 51 2.612 -19.062 1.712 1.00 0.00 C ATOM 703 OG SER A 51 3.796 -18.353 1.390 1.00 0.00 O ATOM 0 H SER A 51 2.133 -17.143 0.194 1.00 0.00 H new ATOM 0 HA SER A 51 0.518 -18.683 2.015 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.771 -19.651 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.375 -19.763 0.912 1.00 0.00 H new ATOM 0 HG SER A 51 3.759 -17.458 1.786 1.00 0.00 H new ATOM 709 N GLY A 52 0.857 -17.636 4.230 1.00 0.00 N ATOM 710 CA GLY A 52 0.966 -16.943 5.500 1.00 0.00 C ATOM 711 C GLY A 52 2.226 -17.312 6.257 1.00 0.00 C ATOM 712 O GLY A 52 3.208 -17.780 5.679 1.00 0.00 O ATOM 0 H GLY A 52 0.149 -18.370 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.953 -15.867 5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.096 -17.177 6.114 1.00 0.00 H new ATOM 716 N PRO A 53 2.210 -17.099 7.581 1.00 0.00 N ATOM 717 CA PRO A 53 3.353 -17.405 8.447 1.00 0.00 C ATOM 718 C PRO A 53 3.585 -18.905 8.591 1.00 0.00 C ATOM 719 O PRO A 53 2.906 -19.712 7.956 1.00 0.00 O ATOM 720 CB PRO A 53 2.954 -16.793 9.791 1.00 0.00 C ATOM 721 CG PRO A 53 1.464 -16.771 9.770 1.00 0.00 C ATOM 722 CD PRO A 53 1.074 -16.544 8.336 1.00 0.00 C ATOM 0 HA PRO A 53 4.286 -17.011 8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.329 -17.388 10.624 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.363 -15.789 9.906 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.054 -17.710 10.142 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.076 -15.979 10.410 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.141 -17.051 8.088 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.928 -15.485 8.122 1.00 0.00 H new ATOM 730 N SER A 54 4.548 -19.272 9.431 1.00 0.00 N ATOM 731 CA SER A 54 4.872 -20.675 9.657 1.00 0.00 C ATOM 732 C SER A 54 4.057 -21.241 10.816 1.00 0.00 C ATOM 733 O SER A 54 4.256 -20.864 11.971 1.00 0.00 O ATOM 734 CB SER A 54 6.366 -20.836 9.942 1.00 0.00 C ATOM 735 OG SER A 54 6.723 -22.204 10.037 1.00 0.00 O ATOM 0 H SER A 54 5.117 -18.616 9.966 1.00 0.00 H new ATOM 0 HA SER A 54 4.620 -21.231 8.754 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.944 -20.360 9.149 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.619 -20.326 10.871 1.00 0.00 H new ATOM 0 HG SER A 54 7.683 -22.280 10.218 1.00 0.00 H new ATOM 741 N SER A 55 3.139 -22.148 10.500 1.00 0.00 N ATOM 742 CA SER A 55 2.292 -22.764 11.513 1.00 0.00 C ATOM 743 C SER A 55 2.802 -24.156 11.875 1.00 0.00 C ATOM 744 O SER A 55 3.676 -24.703 11.205 1.00 0.00 O ATOM 745 CB SER A 55 0.847 -22.851 11.016 1.00 0.00 C ATOM 746 OG SER A 55 -0.069 -22.758 12.092 1.00 0.00 O ATOM 0 H SER A 55 2.963 -22.473 9.549 1.00 0.00 H new ATOM 0 HA SER A 55 2.325 -22.140 12.406 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.656 -22.050 10.302 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.697 -23.792 10.487 1.00 0.00 H new ATOM 0 HG SER A 55 -0.985 -22.814 11.748 1.00 0.00 H new ATOM 752 N GLY A 56 2.247 -24.722 12.943 1.00 0.00 N ATOM 753 CA GLY A 56 2.658 -26.045 13.378 1.00 0.00 C ATOM 754 C GLY A 56 3.253 -26.038 14.772 1.00 0.00 C ATOM 755 O GLY A 56 4.140 -25.240 15.071 1.00 0.00 O ATOM 0 H GLY A 56 1.521 -24.289 13.514 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.798 -26.715 13.357 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.390 -26.444 12.676 1.00 0.00 H new TER 759 GLY A 56