USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=18 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 15:sc= 1.25 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 1 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00678 USER MOD Single : A 9 THR OG1 : rot -76:sc= 0.0091 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.211 F(o=-1.5,f=-0.21) USER MOD Single : A 12 LYS NZ :NH3+ -108:sc= 1.05 (180deg=-0.0257) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 24:sc= 1.26 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= -4.15! C(o=-4.1!,f=-7.1!) 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= -0.0052 K(o=-0.0052,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0242) 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 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.481 9.373 4.837 1.00 0.00 N ATOM 2 CA GLY A 1 13.974 8.582 3.730 1.00 0.00 C ATOM 3 C GLY A 1 12.637 9.085 3.224 1.00 0.00 C ATOM 4 O GLY A 1 11.585 8.658 3.701 1.00 0.00 O ATOM 0 H1 GLY A 1 15.397 8.989 5.147 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.605 10.359 4.531 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.805 9.338 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.697 8.598 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.872 7.544 4.046 1.00 0.00 H new ATOM 8 N SER A 2 12.676 9.995 2.255 1.00 0.00 N ATOM 9 CA SER A 2 11.458 10.560 1.688 1.00 0.00 C ATOM 10 C SER A 2 11.766 11.362 0.427 1.00 0.00 C ATOM 11 O SER A 2 12.705 12.157 0.398 1.00 0.00 O ATOM 12 CB SER A 2 10.758 11.454 2.715 1.00 0.00 C ATOM 13 OG SER A 2 9.949 10.688 3.590 1.00 0.00 O ATOM 0 H SER A 2 13.538 10.356 1.847 1.00 0.00 H new ATOM 0 HA SER A 2 10.796 9.736 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.503 12.004 3.291 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.144 12.193 2.200 1.00 0.00 H new ATOM 0 HG SER A 2 10.185 9.740 3.508 1.00 0.00 H new ATOM 19 N SER A 3 10.969 11.143 -0.614 1.00 0.00 N ATOM 20 CA SER A 3 11.159 11.842 -1.880 1.00 0.00 C ATOM 21 C SER A 3 10.220 13.040 -1.986 1.00 0.00 C ATOM 22 O SER A 3 9.135 12.944 -2.559 1.00 0.00 O ATOM 23 CB SER A 3 10.922 10.888 -3.053 1.00 0.00 C ATOM 24 OG SER A 3 11.368 11.457 -4.272 1.00 0.00 O ATOM 0 H SER A 3 10.187 10.488 -0.606 1.00 0.00 H new ATOM 0 HA SER A 3 12.186 12.204 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.446 9.949 -2.873 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.860 10.652 -3.125 1.00 0.00 H new ATOM 0 HG SER A 3 11.207 10.827 -5.005 1.00 0.00 H new ATOM 30 N GLY A 4 10.647 14.169 -1.429 1.00 0.00 N ATOM 31 CA GLY A 4 9.834 15.371 -1.471 1.00 0.00 C ATOM 32 C GLY A 4 8.353 15.073 -1.347 1.00 0.00 C ATOM 33 O GLY A 4 7.923 14.416 -0.398 1.00 0.00 O ATOM 0 H GLY A 4 11.541 14.273 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.136 16.039 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.018 15.898 -2.407 1.00 0.00 H new ATOM 37 N SER A 5 7.570 15.558 -2.305 1.00 0.00 N ATOM 38 CA SER A 5 6.127 15.344 -2.295 1.00 0.00 C ATOM 39 C SER A 5 5.710 14.400 -3.419 1.00 0.00 C ATOM 40 O SER A 5 5.252 14.838 -4.475 1.00 0.00 O ATOM 41 CB SER A 5 5.392 16.679 -2.435 1.00 0.00 C ATOM 42 OG SER A 5 5.674 17.287 -3.684 1.00 0.00 O ATOM 0 H SER A 5 7.910 16.102 -3.098 1.00 0.00 H new ATOM 0 HA SER A 5 5.858 14.887 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.318 16.518 -2.339 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.688 17.347 -1.626 1.00 0.00 H new ATOM 0 HG SER A 5 5.527 16.639 -4.404 1.00 0.00 H new ATOM 48 N SER A 6 5.873 13.102 -3.184 1.00 0.00 N ATOM 49 CA SER A 6 5.516 12.095 -4.177 1.00 0.00 C ATOM 50 C SER A 6 5.682 10.689 -3.608 1.00 0.00 C ATOM 51 O SER A 6 6.222 10.508 -2.518 1.00 0.00 O ATOM 52 CB SER A 6 6.381 12.255 -5.429 1.00 0.00 C ATOM 53 OG SER A 6 5.821 11.558 -6.528 1.00 0.00 O ATOM 0 H SER A 6 6.250 12.723 -2.315 1.00 0.00 H new ATOM 0 HA SER A 6 4.469 12.239 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.477 13.312 -5.676 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.386 11.881 -5.231 1.00 0.00 H new ATOM 0 HG SER A 6 6.391 11.677 -7.316 1.00 0.00 H new ATOM 59 N GLY A 7 5.210 9.696 -4.356 1.00 0.00 N ATOM 60 CA GLY A 7 5.314 8.319 -3.911 1.00 0.00 C ATOM 61 C GLY A 7 4.565 7.359 -4.814 1.00 0.00 C ATOM 62 O GLY A 7 5.176 6.606 -5.572 1.00 0.00 O ATOM 0 H GLY A 7 4.758 9.821 -5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.365 8.031 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.924 8.238 -2.897 1.00 0.00 H new ATOM 66 N TRP A 8 3.240 7.386 -4.733 1.00 0.00 N ATOM 67 CA TRP A 8 2.407 6.509 -5.548 1.00 0.00 C ATOM 68 C TRP A 8 2.982 5.099 -5.595 1.00 0.00 C ATOM 69 O TRP A 8 2.977 4.448 -6.641 1.00 0.00 O ATOM 70 CB TRP A 8 2.279 7.068 -6.968 1.00 0.00 C ATOM 71 CG TRP A 8 1.587 8.396 -7.023 1.00 0.00 C ATOM 72 CD1 TRP A 8 2.168 9.629 -6.924 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.183 8.624 -7.187 1.00 0.00 C ATOM 74 NE1 TRP A 8 1.210 10.609 -7.018 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.016 10.019 -7.180 1.00 0.00 C ATOM 76 CE3 TRP A 8 -0.925 7.787 -7.341 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.278 10.591 -7.320 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -2.176 8.355 -7.480 1.00 0.00 C ATOM 79 CH2 TRP A 8 -2.344 9.747 -7.469 1.00 0.00 C ATOM 0 H TRP A 8 2.719 8.005 -4.112 1.00 0.00 H new ATOM 0 HA TRP A 8 1.418 6.462 -5.092 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.274 7.166 -7.403 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.731 6.355 -7.584 1.00 0.00 H new ATOM 0 HD1 TRP A 8 3.225 9.807 -6.791 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.383 11.613 -6.974 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.805 6.714 -7.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.410 11.663 -7.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.039 7.717 -7.599 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.335 10.161 -7.580 1.00 0.00 H new ATOM 90 N THR A 9 3.479 4.629 -4.454 1.00 0.00 N ATOM 91 CA THR A 9 4.059 3.295 -4.366 1.00 0.00 C ATOM 92 C THR A 9 3.736 2.642 -3.026 1.00 0.00 C ATOM 93 O THR A 9 3.535 3.327 -2.023 1.00 0.00 O ATOM 94 CB THR A 9 5.588 3.334 -4.549 1.00 0.00 C ATOM 95 OG1 THR A 9 6.170 4.249 -3.613 1.00 0.00 O ATOM 96 CG2 THR A 9 5.953 3.748 -5.965 1.00 0.00 C ATOM 0 H THR A 9 3.491 5.153 -3.579 1.00 0.00 H new ATOM 0 HA THR A 9 3.619 2.706 -5.170 1.00 0.00 H new ATOM 0 HB THR A 9 5.979 2.333 -4.369 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.012 5.168 -3.913 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.038 3.768 -6.070 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.533 3.033 -6.673 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.550 4.740 -6.169 1.00 0.00 H new ATOM 104 N CYS A 10 3.687 1.315 -3.016 1.00 0.00 N ATOM 105 CA CYS A 10 3.388 0.570 -1.800 1.00 0.00 C ATOM 106 C CYS A 10 4.572 -0.300 -1.389 1.00 0.00 C ATOM 107 O CYS A 10 5.491 -0.526 -2.176 1.00 0.00 O ATOM 108 CB CYS A 10 2.148 -0.304 -2.004 1.00 0.00 C ATOM 109 SG CYS A 10 0.616 0.638 -2.301 1.00 0.00 S ATOM 0 H CYS A 10 3.851 0.733 -3.837 1.00 0.00 H new ATOM 0 HA CYS A 10 3.193 1.288 -1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.321 -0.971 -2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.011 -0.933 -1.124 1.00 0.00 H new ATOM 114 N ASN A 11 4.543 -0.785 -0.152 1.00 0.00 N ATOM 115 CA ASN A 11 5.614 -1.630 0.364 1.00 0.00 C ATOM 116 C ASN A 11 5.048 -2.850 1.081 1.00 0.00 C ATOM 117 O ASN A 11 3.899 -2.847 1.524 1.00 0.00 O ATOM 118 CB ASN A 11 6.506 -0.832 1.317 1.00 0.00 C ATOM 119 CG ASN A 11 7.723 -1.618 1.764 1.00 0.00 C ATOM 120 OD1 ASN A 11 7.718 -2.054 3.018 1.00 0.00 O flip ATOM 121 ND2 ASN A 11 8.657 -1.832 0.991 1.00 0.00 N flip ATOM 0 H ASN A 11 3.789 -0.607 0.512 1.00 0.00 H new ATOM 0 HA ASN A 11 6.211 -1.973 -0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.830 0.085 0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.926 -0.537 2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.619 -1.478 0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.469 -2.363 1.306 1.00 0.00 H new ATOM 128 N LYS A 12 5.861 -3.895 1.193 1.00 0.00 N ATOM 129 CA LYS A 12 5.443 -5.123 1.858 1.00 0.00 C ATOM 130 C LYS A 12 4.788 -4.819 3.202 1.00 0.00 C ATOM 131 O LYS A 12 3.711 -5.329 3.509 1.00 0.00 O ATOM 132 CB LYS A 12 6.643 -6.050 2.063 1.00 0.00 C ATOM 133 CG LYS A 12 6.933 -6.943 0.868 1.00 0.00 C ATOM 134 CD LYS A 12 7.645 -6.183 -0.237 1.00 0.00 C ATOM 135 CE LYS A 12 8.207 -7.125 -1.290 1.00 0.00 C ATOM 136 NZ LYS A 12 7.132 -7.903 -1.968 1.00 0.00 N ATOM 0 H LYS A 12 6.814 -3.916 0.831 1.00 0.00 H new ATOM 0 HA LYS A 12 4.711 -5.620 1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.525 -5.447 2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.464 -6.675 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.546 -7.787 1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.999 -7.354 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.951 -5.485 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.453 -5.590 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.763 -6.551 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.913 -7.812 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.170 -8.894 -1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.205 -7.498 -1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.270 -7.861 -2.998 1.00 0.00 H new ATOM 150 N PHE A 13 5.445 -3.982 3.999 1.00 0.00 N ATOM 151 CA PHE A 13 4.925 -3.608 5.310 1.00 0.00 C ATOM 152 C PHE A 13 3.594 -2.876 5.178 1.00 0.00 C ATOM 153 O PHE A 13 2.601 -3.254 5.801 1.00 0.00 O ATOM 154 CB PHE A 13 5.934 -2.728 6.049 1.00 0.00 C ATOM 155 CG PHE A 13 5.779 -2.761 7.543 1.00 0.00 C ATOM 156 CD1 PHE A 13 6.280 -3.820 8.281 1.00 0.00 C ATOM 157 CD2 PHE A 13 5.128 -1.734 8.208 1.00 0.00 C ATOM 158 CE1 PHE A 13 6.139 -3.855 9.656 1.00 0.00 C ATOM 159 CE2 PHE A 13 4.984 -1.763 9.582 1.00 0.00 C ATOM 160 CZ PHE A 13 5.488 -2.824 10.307 1.00 0.00 C ATOM 0 H PHE A 13 6.338 -3.550 3.760 1.00 0.00 H new ATOM 0 HA PHE A 13 4.761 -4.521 5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.943 -3.049 5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.828 -1.700 5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.787 -4.629 7.776 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.729 -0.902 7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.537 -4.686 10.220 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.477 -0.955 10.089 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.374 -2.849 11.381 1.00 0.00 H new ATOM 170 N ARG A 14 3.582 -1.825 4.364 1.00 0.00 N ATOM 171 CA ARG A 14 2.373 -1.037 4.152 1.00 0.00 C ATOM 172 C ARG A 14 1.159 -1.943 3.963 1.00 0.00 C ATOM 173 O ARG A 14 0.129 -1.762 4.611 1.00 0.00 O ATOM 174 CB ARG A 14 2.539 -0.128 2.934 1.00 0.00 C ATOM 175 CG ARG A 14 3.503 1.025 3.160 1.00 0.00 C ATOM 176 CD ARG A 14 3.247 2.166 2.188 1.00 0.00 C ATOM 177 NE ARG A 14 1.924 2.755 2.374 1.00 0.00 N ATOM 178 CZ ARG A 14 1.616 3.998 2.021 1.00 0.00 C ATOM 179 NH1 ARG A 14 2.533 4.778 1.466 1.00 0.00 N ATOM 180 NH2 ARG A 14 0.390 4.462 2.220 1.00 0.00 N ATOM 0 H ARG A 14 4.395 -1.500 3.841 1.00 0.00 H new ATOM 0 HA ARG A 14 2.211 -0.422 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.890 -0.724 2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.565 0.274 2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.404 1.388 4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.528 0.671 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.008 2.934 2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.341 1.800 1.166 1.00 0.00 H new ATOM 0 HE ARG A 14 1.196 2.180 2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.477 4.424 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.295 5.732 1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.319 3.864 2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.156 5.417 1.948 1.00 0.00 H new ATOM 194 N CYS A 15 1.290 -2.919 3.071 1.00 0.00 N ATOM 195 CA CYS A 15 0.205 -3.853 2.794 1.00 0.00 C ATOM 196 C CYS A 15 -0.600 -4.142 4.058 1.00 0.00 C ATOM 197 O CYS A 15 -0.120 -4.811 4.973 1.00 0.00 O ATOM 198 CB CYS A 15 0.761 -5.158 2.221 1.00 0.00 C ATOM 199 SG CYS A 15 1.741 -4.945 0.699 1.00 0.00 S ATOM 0 H CYS A 15 2.137 -3.084 2.527 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.457 -3.394 2.059 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.383 -5.638 2.977 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.069 -5.834 2.014 1.00 0.00 H new ATOM 204 N GLY A 16 -1.827 -3.632 4.101 1.00 0.00 N ATOM 205 CA GLY A 16 -2.678 -3.846 5.257 1.00 0.00 C ATOM 206 C GLY A 16 -2.586 -2.714 6.263 1.00 0.00 C ATOM 207 O GLY A 16 -2.565 -2.950 7.471 1.00 0.00 O ATOM 0 H GLY A 16 -2.247 -3.075 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.712 -3.953 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.399 -4.782 5.741 1.00 0.00 H new ATOM 211 N GLU A 17 -2.530 -1.484 5.763 1.00 0.00 N ATOM 212 CA GLU A 17 -2.438 -0.313 6.627 1.00 0.00 C ATOM 213 C GLU A 17 -3.804 0.050 7.200 1.00 0.00 C ATOM 214 O GLU A 17 -4.786 -0.665 6.996 1.00 0.00 O ATOM 215 CB GLU A 17 -1.865 0.876 5.853 1.00 0.00 C ATOM 216 CG GLU A 17 -2.810 1.428 4.799 1.00 0.00 C ATOM 217 CD GLU A 17 -2.430 2.826 4.350 1.00 0.00 C ATOM 218 OE1 GLU A 17 -2.760 3.790 5.073 1.00 0.00 O ATOM 219 OE2 GLU A 17 -1.804 2.956 3.278 1.00 0.00 O ATOM 0 H GLU A 17 -2.547 -1.272 4.765 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.770 -0.555 7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.615 1.670 6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.935 0.572 5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.815 0.762 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.825 1.441 5.197 1.00 0.00 H new ATOM 226 N LYS A 18 -3.861 1.166 7.918 1.00 0.00 N ATOM 227 CA LYS A 18 -5.106 1.627 8.521 1.00 0.00 C ATOM 228 C LYS A 18 -5.652 2.842 7.779 1.00 0.00 C ATOM 229 O LYS A 18 -4.922 3.519 7.056 1.00 0.00 O ATOM 230 CB LYS A 18 -4.884 1.973 9.996 1.00 0.00 C ATOM 231 CG LYS A 18 -4.060 3.231 10.209 1.00 0.00 C ATOM 232 CD LYS A 18 -2.581 2.912 10.340 1.00 0.00 C ATOM 233 CE LYS A 18 -1.717 4.046 9.806 1.00 0.00 C ATOM 234 NZ LYS A 18 -1.479 5.094 10.836 1.00 0.00 N ATOM 0 H LYS A 18 -3.058 1.769 8.097 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.837 0.821 8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.852 2.097 10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.387 1.136 10.486 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.213 3.914 9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.403 3.744 11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.338 2.730 11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.356 1.994 9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.761 3.646 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.201 4.493 8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.887 5.848 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.389 5.494 11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.994 4.673 11.654 1.00 0.00 H new ATOM 248 N ARG A 19 -6.939 3.114 7.966 1.00 0.00 N ATOM 249 CA ARG A 19 -7.584 4.247 7.314 1.00 0.00 C ATOM 250 C ARG A 19 -6.617 5.420 7.183 1.00 0.00 C ATOM 251 O ARG A 19 -5.779 5.649 8.057 1.00 0.00 O ATOM 252 CB ARG A 19 -8.823 4.679 8.101 1.00 0.00 C ATOM 253 CG ARG A 19 -9.482 5.936 7.557 1.00 0.00 C ATOM 254 CD ARG A 19 -10.534 5.605 6.509 1.00 0.00 C ATOM 255 NE ARG A 19 -11.820 5.268 7.111 1.00 0.00 N ATOM 256 CZ ARG A 19 -12.981 5.388 6.479 1.00 0.00 C ATOM 257 NH1 ARG A 19 -13.018 5.833 5.231 1.00 0.00 N ATOM 258 NH2 ARG A 19 -14.111 5.060 7.094 1.00 0.00 N ATOM 0 H ARG A 19 -7.556 2.565 8.564 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.888 3.935 6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.549 3.866 8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.542 4.847 9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.943 6.489 8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.724 6.586 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.659 6.456 5.840 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.189 4.769 5.900 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.827 4.921 8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.153 6.084 4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.912 5.924 4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.088 4.715 8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.002 5.153 6.607 1.00 0.00 H new ATOM 272 N LEU A 20 -6.737 6.161 6.088 1.00 0.00 N ATOM 273 CA LEU A 20 -5.874 7.312 5.842 1.00 0.00 C ATOM 274 C LEU A 20 -6.580 8.345 4.970 1.00 0.00 C ATOM 275 O LEU A 20 -7.142 8.014 3.926 1.00 0.00 O ATOM 276 CB LEU A 20 -4.574 6.863 5.171 1.00 0.00 C ATOM 277 CG LEU A 20 -4.715 6.241 3.781 1.00 0.00 C ATOM 278 CD1 LEU A 20 -3.386 6.276 3.043 1.00 0.00 C ATOM 279 CD2 LEU A 20 -5.233 4.814 3.886 1.00 0.00 C ATOM 0 H LEU A 20 -7.424 5.986 5.355 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.641 7.773 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.911 7.725 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.084 6.140 5.822 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.437 6.827 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.506 5.829 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.056 7.309 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.642 5.714 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.327 4.387 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.535 4.216 4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.208 4.816 4.373 1.00 0.00 H new ATOM 291 N THR A 21 -6.543 9.601 5.405 1.00 0.00 N ATOM 292 CA THR A 21 -7.178 10.685 4.665 1.00 0.00 C ATOM 293 C THR A 21 -6.149 11.490 3.879 1.00 0.00 C ATOM 294 O THR A 21 -6.194 11.543 2.651 1.00 0.00 O ATOM 295 CB THR A 21 -7.947 11.632 5.604 1.00 0.00 C ATOM 296 OG1 THR A 21 -8.859 10.883 6.416 1.00 0.00 O ATOM 297 CG2 THR A 21 -8.711 12.680 4.809 1.00 0.00 C ATOM 0 H THR A 21 -6.080 9.893 6.266 1.00 0.00 H new ATOM 0 HA THR A 21 -7.882 10.225 3.972 1.00 0.00 H new ATOM 0 HB THR A 21 -7.225 12.139 6.243 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.343 11.492 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.246 13.337 5.494 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.011 13.268 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.424 12.187 4.148 1.00 0.00 H new ATOM 305 N ARG A 22 -5.222 12.116 4.597 1.00 0.00 N ATOM 306 CA ARG A 22 -4.181 12.920 3.968 1.00 0.00 C ATOM 307 C ARG A 22 -3.190 12.035 3.218 1.00 0.00 C ATOM 308 O ARG A 22 -2.115 11.720 3.729 1.00 0.00 O ATOM 309 CB ARG A 22 -3.445 13.754 5.017 1.00 0.00 C ATOM 310 CG ARG A 22 -4.142 15.061 5.355 1.00 0.00 C ATOM 311 CD ARG A 22 -5.205 14.867 6.425 1.00 0.00 C ATOM 312 NE ARG A 22 -5.766 16.137 6.879 1.00 0.00 N ATOM 313 CZ ARG A 22 -6.778 16.231 7.732 1.00 0.00 C ATOM 314 NH1 ARG A 22 -7.340 15.135 8.222 1.00 0.00 N ATOM 315 NH2 ARG A 22 -7.233 17.423 8.097 1.00 0.00 N ATOM 0 H ARG A 22 -5.171 12.082 5.615 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.658 13.590 3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.337 13.164 5.927 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.440 13.971 4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.406 15.788 5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.601 15.473 4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.004 14.238 6.032 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.772 14.338 7.274 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.357 17.000 6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.995 14.217 7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.118 15.210 8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.805 18.269 7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.011 17.493 8.753 1.00 0.00 H new ATOM 329 N SER A 23 -3.558 11.637 2.005 1.00 0.00 N ATOM 330 CA SER A 23 -2.703 10.785 1.187 1.00 0.00 C ATOM 331 C SER A 23 -3.261 10.653 -0.227 1.00 0.00 C ATOM 332 O SER A 23 -4.465 10.473 -0.418 1.00 0.00 O ATOM 333 CB SER A 23 -2.567 9.402 1.825 1.00 0.00 C ATOM 334 OG SER A 23 -1.538 9.389 2.800 1.00 0.00 O ATOM 0 H SER A 23 -4.443 11.891 1.566 1.00 0.00 H new ATOM 0 HA SER A 23 -1.718 11.249 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.513 9.116 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.351 8.662 1.054 1.00 0.00 H new ATOM 0 HG SER A 23 -1.389 10.299 3.130 1.00 0.00 H new ATOM 340 N LEU A 24 -2.378 10.742 -1.215 1.00 0.00 N ATOM 341 CA LEU A 24 -2.780 10.632 -2.613 1.00 0.00 C ATOM 342 C LEU A 24 -3.517 9.321 -2.867 1.00 0.00 C ATOM 343 O LEU A 24 -4.643 9.316 -3.364 1.00 0.00 O ATOM 344 CB LEU A 24 -1.556 10.728 -3.525 1.00 0.00 C ATOM 345 CG LEU A 24 -0.732 12.011 -3.411 1.00 0.00 C ATOM 346 CD1 LEU A 24 0.547 11.899 -4.226 1.00 0.00 C ATOM 347 CD2 LEU A 24 -1.550 13.212 -3.863 1.00 0.00 C ATOM 0 H LEU A 24 -1.379 10.890 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.457 11.456 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.903 9.881 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.889 10.624 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.461 12.153 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.120 12.822 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.142 11.063 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.297 11.732 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.948 14.116 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.852 13.077 -4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.437 13.305 -3.236 1.00 0.00 H new ATOM 359 N CYS A 25 -2.875 8.212 -2.520 1.00 0.00 N ATOM 360 CA CYS A 25 -3.468 6.893 -2.707 1.00 0.00 C ATOM 361 C CYS A 25 -3.508 6.122 -1.390 1.00 0.00 C ATOM 362 O CYS A 25 -3.086 6.627 -0.350 1.00 0.00 O ATOM 363 CB CYS A 25 -2.679 6.100 -3.751 1.00 0.00 C ATOM 364 SG CYS A 25 -0.984 5.676 -3.239 1.00 0.00 S ATOM 0 H CYS A 25 -1.942 8.200 -2.107 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.491 7.029 -3.059 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.219 5.181 -3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.634 6.679 -4.673 1.00 0.00 H new ATOM 369 N ALA A 26 -4.019 4.896 -1.445 1.00 0.00 N ATOM 370 CA ALA A 26 -4.112 4.055 -0.258 1.00 0.00 C ATOM 371 C ALA A 26 -3.646 2.633 -0.555 1.00 0.00 C ATOM 372 O ALA A 26 -4.072 2.021 -1.535 1.00 0.00 O ATOM 373 CB ALA A 26 -5.538 4.045 0.271 1.00 0.00 C ATOM 0 H ALA A 26 -4.374 4.464 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.456 4.473 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.593 3.413 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.837 5.061 0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.208 3.654 -0.495 1.00 0.00 H new ATOM 379 N CYS A 27 -2.768 2.113 0.297 1.00 0.00 N ATOM 380 CA CYS A 27 -2.243 0.764 0.125 1.00 0.00 C ATOM 381 C CYS A 27 -2.973 -0.223 1.031 1.00 0.00 C ATOM 382 O CYS A 27 -2.361 -1.121 1.610 1.00 0.00 O ATOM 383 CB CYS A 27 -0.743 0.736 0.427 1.00 0.00 C ATOM 384 SG CYS A 27 0.259 1.771 -0.690 1.00 0.00 S ATOM 0 H CYS A 27 -2.405 2.606 1.113 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.404 0.467 -0.911 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.583 1.067 1.453 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.390 -0.293 0.366 1.00 0.00 H new ATOM 389 N SER A 28 -4.286 -0.050 1.149 1.00 0.00 N ATOM 390 CA SER A 28 -5.099 -0.923 1.987 1.00 0.00 C ATOM 391 C SER A 28 -6.316 -1.432 1.221 1.00 0.00 C ATOM 392 O SER A 28 -6.604 -0.972 0.115 1.00 0.00 O ATOM 393 CB SER A 28 -5.551 -0.180 3.246 1.00 0.00 C ATOM 394 OG SER A 28 -6.660 0.659 2.974 1.00 0.00 O ATOM 0 H SER A 28 -4.809 0.686 0.675 1.00 0.00 H new ATOM 0 HA SER A 28 -4.489 -1.778 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.817 -0.899 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.726 0.417 3.635 1.00 0.00 H new ATOM 0 HG SER A 28 -6.930 1.121 3.795 1.00 0.00 H new ATOM 400 N ASP A 29 -7.025 -2.385 1.815 1.00 0.00 N ATOM 401 CA ASP A 29 -8.211 -2.958 1.189 1.00 0.00 C ATOM 402 C ASP A 29 -9.232 -1.872 0.862 1.00 0.00 C ATOM 403 O ASP A 29 -9.888 -1.916 -0.178 1.00 0.00 O ATOM 404 CB ASP A 29 -8.842 -4.007 2.106 1.00 0.00 C ATOM 405 CG ASP A 29 -9.582 -3.384 3.276 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.930 -2.706 4.098 1.00 0.00 O ATOM 407 OD2 ASP A 29 -10.812 -3.574 3.367 1.00 0.00 O ATOM 0 H ASP A 29 -6.799 -2.777 2.729 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.904 -3.436 0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.533 -4.622 1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.064 -4.671 2.484 1.00 0.00 H new ATOM 412 N ASP A 30 -9.358 -0.897 1.756 1.00 0.00 N ATOM 413 CA ASP A 30 -10.298 0.201 1.563 1.00 0.00 C ATOM 414 C ASP A 30 -10.243 0.717 0.128 1.00 0.00 C ATOM 415 O ASP A 30 -11.275 0.919 -0.511 1.00 0.00 O ATOM 416 CB ASP A 30 -9.996 1.338 2.539 1.00 0.00 C ATOM 417 CG ASP A 30 -11.218 2.182 2.842 1.00 0.00 C ATOM 418 OD1 ASP A 30 -12.346 1.669 2.689 1.00 0.00 O ATOM 419 OD2 ASP A 30 -11.046 3.356 3.233 1.00 0.00 O ATOM 0 H ASP A 30 -8.821 -0.845 2.622 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.302 -0.175 1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.607 0.921 3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.214 1.973 2.122 1.00 0.00 H new ATOM 424 N CYS A 31 -9.030 0.931 -0.372 1.00 0.00 N ATOM 425 CA CYS A 31 -8.838 1.425 -1.729 1.00 0.00 C ATOM 426 C CYS A 31 -9.759 0.703 -2.707 1.00 0.00 C ATOM 427 O CYS A 31 -10.281 1.305 -3.646 1.00 0.00 O ATOM 428 CB CYS A 31 -7.380 1.247 -2.158 1.00 0.00 C ATOM 429 SG CYS A 31 -7.014 -0.384 -2.885 1.00 0.00 S ATOM 0 H CYS A 31 -8.165 0.769 0.144 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.086 2.486 -1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.128 2.021 -2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.736 1.400 -1.292 1.00 0.00 H new ATOM 434 N LYS A 32 -9.956 -0.590 -2.479 1.00 0.00 N ATOM 435 CA LYS A 32 -10.816 -1.396 -3.337 1.00 0.00 C ATOM 436 C LYS A 32 -12.191 -0.753 -3.489 1.00 0.00 C ATOM 437 O LYS A 32 -12.731 -0.671 -4.593 1.00 0.00 O ATOM 438 CB LYS A 32 -10.963 -2.809 -2.766 1.00 0.00 C ATOM 439 CG LYS A 32 -9.687 -3.630 -2.839 1.00 0.00 C ATOM 440 CD LYS A 32 -9.525 -4.289 -4.198 1.00 0.00 C ATOM 441 CE LYS A 32 -8.092 -4.744 -4.430 1.00 0.00 C ATOM 442 NZ LYS A 32 -7.838 -6.093 -3.852 1.00 0.00 N ATOM 0 H LYS A 32 -9.531 -1.103 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.351 -1.455 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.282 -2.740 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.752 -3.330 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.829 -2.988 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.700 -4.395 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.196 -5.145 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.816 -3.588 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.886 -4.763 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.406 -4.023 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.851 -6.367 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.010 -6.069 -2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.475 -6.786 -4.294 1.00 0.00 H new ATOM 456 N ASP A 33 -12.752 -0.298 -2.374 1.00 0.00 N ATOM 457 CA ASP A 33 -14.063 0.341 -2.384 1.00 0.00 C ATOM 458 C ASP A 33 -14.022 1.654 -3.159 1.00 0.00 C ATOM 459 O ASP A 33 -14.707 1.810 -4.170 1.00 0.00 O ATOM 460 CB ASP A 33 -14.541 0.594 -0.953 1.00 0.00 C ATOM 461 CG ASP A 33 -15.934 1.189 -0.905 1.00 0.00 C ATOM 462 OD1 ASP A 33 -16.078 2.387 -1.224 1.00 0.00 O ATOM 463 OD2 ASP A 33 -16.881 0.457 -0.546 1.00 0.00 O ATOM 0 H ASP A 33 -12.320 -0.360 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.764 -0.331 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.530 -0.344 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.844 1.267 -0.454 1.00 0.00 H new ATOM 468 N GLN A 34 -13.216 2.595 -2.677 1.00 0.00 N ATOM 469 CA GLN A 34 -13.088 3.895 -3.324 1.00 0.00 C ATOM 470 C GLN A 34 -12.615 3.741 -4.766 1.00 0.00 C ATOM 471 O GLN A 34 -13.323 4.104 -5.704 1.00 0.00 O ATOM 472 CB GLN A 34 -12.114 4.781 -2.547 1.00 0.00 C ATOM 473 CG GLN A 34 -12.671 5.285 -1.226 1.00 0.00 C ATOM 474 CD GLN A 34 -11.913 6.485 -0.691 1.00 0.00 C ATOM 475 OE1 GLN A 34 -12.039 7.594 -1.211 1.00 0.00 O ATOM 476 NE2 GLN A 34 -11.121 6.268 0.352 1.00 0.00 N ATOM 0 H GLN A 34 -12.642 2.481 -1.841 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.070 4.367 -3.332 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.199 4.220 -2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.840 5.635 -3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.720 5.552 -1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.636 4.481 -0.491 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.048 5.332 0.751 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.586 7.037 0.755 1.00 0.00 H new ATOM 485 N GLY A 35 -11.411 3.201 -4.934 1.00 0.00 N ATOM 486 CA GLY A 35 -10.864 3.008 -6.265 1.00 0.00 C ATOM 487 C GLY A 35 -9.608 3.826 -6.498 1.00 0.00 C ATOM 488 O GLY A 35 -9.312 4.212 -7.629 1.00 0.00 O ATOM 0 H GLY A 35 -10.805 2.894 -4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.639 1.952 -6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.615 3.281 -7.007 1.00 0.00 H new ATOM 492 N ASP A 36 -8.870 4.092 -5.426 1.00 0.00 N ATOM 493 CA ASP A 36 -7.640 4.870 -5.519 1.00 0.00 C ATOM 494 C ASP A 36 -6.439 4.043 -5.073 1.00 0.00 C ATOM 495 O ASP A 36 -5.560 4.537 -4.367 1.00 0.00 O ATOM 496 CB ASP A 36 -7.747 6.137 -4.669 1.00 0.00 C ATOM 497 CG ASP A 36 -8.705 7.153 -5.260 1.00 0.00 C ATOM 498 OD1 ASP A 36 -8.315 7.844 -6.225 1.00 0.00 O ATOM 499 OD2 ASP A 36 -9.844 7.254 -4.760 1.00 0.00 O ATOM 0 H ASP A 36 -9.102 3.781 -4.483 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.496 5.153 -6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.079 5.871 -3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.760 6.588 -4.569 1.00 0.00 H new ATOM 504 N CYS A 37 -6.409 2.781 -5.489 1.00 0.00 N ATOM 505 CA CYS A 37 -5.317 1.884 -5.131 1.00 0.00 C ATOM 506 C CYS A 37 -4.029 2.279 -5.849 1.00 0.00 C ATOM 507 O CYS A 37 -3.974 2.305 -7.079 1.00 0.00 O ATOM 508 CB CYS A 37 -5.683 0.439 -5.476 1.00 0.00 C ATOM 509 SG CYS A 37 -7.309 -0.088 -4.845 1.00 0.00 S ATOM 0 H CYS A 37 -7.129 2.357 -6.074 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.152 1.964 -4.057 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.670 0.321 -6.560 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.917 -0.224 -5.074 1.00 0.00 H new ATOM 514 N CYS A 38 -2.997 2.587 -5.073 1.00 0.00 N ATOM 515 CA CYS A 38 -1.710 2.982 -5.632 1.00 0.00 C ATOM 516 C CYS A 38 -1.340 2.100 -6.822 1.00 0.00 C ATOM 517 O CYS A 38 -1.501 0.880 -6.777 1.00 0.00 O ATOM 518 CB CYS A 38 -0.617 2.898 -4.564 1.00 0.00 C ATOM 519 SG CYS A 38 -1.060 3.692 -2.985 1.00 0.00 S ATOM 0 H CYS A 38 -3.026 2.571 -4.054 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.794 4.013 -5.976 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.384 1.849 -4.379 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.290 3.362 -4.950 1.00 0.00 H new ATOM 524 N ILE A 39 -0.844 2.726 -7.884 1.00 0.00 N ATOM 525 CA ILE A 39 -0.451 1.999 -9.084 1.00 0.00 C ATOM 526 C ILE A 39 0.374 0.766 -8.734 1.00 0.00 C ATOM 527 O ILE A 39 0.282 -0.265 -9.399 1.00 0.00 O ATOM 528 CB ILE A 39 0.360 2.891 -10.043 1.00 0.00 C ATOM 529 CG1 ILE A 39 0.752 2.106 -11.296 1.00 0.00 C ATOM 530 CG2 ILE A 39 1.597 3.434 -9.342 1.00 0.00 C ATOM 531 CD1 ILE A 39 1.084 2.986 -12.481 1.00 0.00 C ATOM 0 H ILE A 39 -0.705 3.735 -7.937 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.371 1.689 -9.580 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.262 3.734 -10.345 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.613 1.478 -11.067 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.066 1.438 -11.567 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.160 4.062 -10.032 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.295 4.025 -8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.223 2.604 -9.014 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.353 2.362 -13.333 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.217 3.595 -12.736 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.922 3.636 -12.228 1.00 0.00 H new ATOM 543 N ASN A 40 1.181 0.879 -7.684 1.00 0.00 N ATOM 544 CA ASN A 40 2.023 -0.227 -7.244 1.00 0.00 C ATOM 545 C ASN A 40 1.464 -0.866 -5.977 1.00 0.00 C ATOM 546 O ASN A 40 2.211 -1.214 -5.062 1.00 0.00 O ATOM 547 CB ASN A 40 3.453 0.260 -6.996 1.00 0.00 C ATOM 548 CG ASN A 40 4.483 -0.827 -7.232 1.00 0.00 C ATOM 549 OD1 ASN A 40 4.243 -1.772 -7.983 1.00 0.00 O ATOM 550 ND2 ASN A 40 5.639 -0.696 -6.591 1.00 0.00 N ATOM 0 H ASN A 40 1.269 1.726 -7.122 1.00 0.00 H new ATOM 0 HA ASN A 40 2.034 -0.978 -8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.665 1.105 -7.651 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.538 0.621 -5.971 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.371 -1.396 -6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.794 0.104 -5.978 1.00 0.00 H new ATOM 557 N TYR A 41 0.146 -1.017 -5.930 1.00 0.00 N ATOM 558 CA TYR A 41 -0.515 -1.612 -4.774 1.00 0.00 C ATOM 559 C TYR A 41 -0.554 -3.132 -4.892 1.00 0.00 C ATOM 560 O TYR A 41 0.086 -3.843 -4.116 1.00 0.00 O ATOM 561 CB TYR A 41 -1.936 -1.064 -4.634 1.00 0.00 C ATOM 562 CG TYR A 41 -2.755 -1.765 -3.573 1.00 0.00 C ATOM 563 CD1 TYR A 41 -2.355 -1.758 -2.243 1.00 0.00 C ATOM 564 CD2 TYR A 41 -3.925 -2.436 -3.902 1.00 0.00 C ATOM 565 CE1 TYR A 41 -3.098 -2.398 -1.270 1.00 0.00 C ATOM 566 CE2 TYR A 41 -4.676 -3.078 -2.937 1.00 0.00 C ATOM 567 CZ TYR A 41 -4.259 -3.056 -1.622 1.00 0.00 C ATOM 568 OH TYR A 41 -5.003 -3.696 -0.657 1.00 0.00 O ATOM 0 H TYR A 41 -0.487 -0.736 -6.679 1.00 0.00 H new ATOM 0 HA TYR A 41 0.058 -1.349 -3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.885 -0.001 -4.398 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.447 -1.153 -5.593 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.447 -1.243 -1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.254 -2.456 -4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.772 -2.384 -0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.584 -3.594 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 41 -5.790 -4.109 -1.071 1.00 0.00 H new ATOM 578 N SER A 42 -1.308 -3.625 -5.869 1.00 0.00 N ATOM 579 CA SER A 42 -1.434 -5.061 -6.087 1.00 0.00 C ATOM 580 C SER A 42 -0.117 -5.653 -6.580 1.00 0.00 C ATOM 581 O SER A 42 0.215 -6.797 -6.272 1.00 0.00 O ATOM 582 CB SER A 42 -2.545 -5.348 -7.100 1.00 0.00 C ATOM 583 OG SER A 42 -2.296 -4.693 -8.331 1.00 0.00 O ATOM 0 H SER A 42 -1.841 -3.051 -6.522 1.00 0.00 H new ATOM 0 HA SER A 42 -1.689 -5.527 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.621 -6.423 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.503 -5.019 -6.697 1.00 0.00 H new ATOM 0 HG SER A 42 -3.019 -4.894 -8.961 1.00 0.00 H new ATOM 589 N SER A 43 0.629 -4.864 -7.347 1.00 0.00 N ATOM 590 CA SER A 43 1.908 -5.310 -7.886 1.00 0.00 C ATOM 591 C SER A 43 2.863 -5.707 -6.763 1.00 0.00 C ATOM 592 O SER A 43 3.565 -6.713 -6.856 1.00 0.00 O ATOM 593 CB SER A 43 2.538 -4.208 -8.740 1.00 0.00 C ATOM 594 OG SER A 43 1.699 -3.865 -9.829 1.00 0.00 O ATOM 0 H SER A 43 0.369 -3.913 -7.609 1.00 0.00 H new ATOM 0 HA SER A 43 1.725 -6.185 -8.510 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.720 -3.326 -8.125 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.506 -4.542 -9.114 1.00 0.00 H new ATOM 0 HG SER A 43 2.123 -3.158 -10.358 1.00 0.00 H new ATOM 600 N VAL A 44 2.881 -4.907 -5.702 1.00 0.00 N ATOM 601 CA VAL A 44 3.747 -5.173 -4.560 1.00 0.00 C ATOM 602 C VAL A 44 3.047 -6.055 -3.532 1.00 0.00 C ATOM 603 O VAL A 44 3.579 -7.084 -3.114 1.00 0.00 O ATOM 604 CB VAL A 44 4.195 -3.867 -3.877 1.00 0.00 C ATOM 605 CG1 VAL A 44 5.074 -4.167 -2.673 1.00 0.00 C ATOM 606 CG2 VAL A 44 4.923 -2.971 -4.869 1.00 0.00 C ATOM 0 H VAL A 44 2.306 -4.070 -5.610 1.00 0.00 H new ATOM 0 HA VAL A 44 4.624 -5.693 -4.945 1.00 0.00 H new ATOM 0 HB VAL A 44 3.309 -3.339 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.380 -3.232 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.515 -4.767 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.958 -4.717 -2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.233 -2.053 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.802 -3.490 -5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.257 -2.728 -5.696 1.00 0.00 H new ATOM 616 N CYS A 45 1.848 -5.646 -3.129 1.00 0.00 N ATOM 617 CA CYS A 45 1.072 -6.398 -2.151 1.00 0.00 C ATOM 618 C CYS A 45 0.556 -7.703 -2.752 1.00 0.00 C ATOM 619 O CYS A 45 0.979 -8.789 -2.357 1.00 0.00 O ATOM 620 CB CYS A 45 -0.102 -5.558 -1.645 1.00 0.00 C ATOM 621 SG CYS A 45 0.393 -4.101 -0.669 1.00 0.00 S ATOM 0 H CYS A 45 1.393 -4.797 -3.465 1.00 0.00 H new ATOM 0 HA CYS A 45 1.726 -6.638 -1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.693 -5.226 -2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.749 -6.188 -1.035 1.00 0.00 H new ATOM 626 N GLN A 46 -0.358 -7.586 -3.709 1.00 0.00 N ATOM 627 CA GLN A 46 -0.931 -8.756 -4.364 1.00 0.00 C ATOM 628 C GLN A 46 -0.024 -9.252 -5.484 1.00 0.00 C ATOM 629 O GLN A 46 -0.490 -9.583 -6.574 1.00 0.00 O ATOM 630 CB GLN A 46 -2.317 -8.427 -4.922 1.00 0.00 C ATOM 631 CG GLN A 46 -3.419 -8.465 -3.876 1.00 0.00 C ATOM 632 CD GLN A 46 -3.983 -9.857 -3.672 1.00 0.00 C ATOM 633 OE1 GLN A 46 -3.412 -10.844 -4.136 1.00 0.00 O ATOM 634 NE2 GLN A 46 -5.109 -9.944 -2.974 1.00 0.00 N ATOM 0 H GLN A 46 -0.718 -6.694 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.025 -9.547 -3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.291 -7.436 -5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.557 -9.134 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.028 -8.093 -2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.222 -7.792 -4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.549 -9.100 -2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.535 -10.855 -2.804 1.00 0.00 H new ATOM 643 N GLY A 47 1.276 -9.300 -5.208 1.00 0.00 N ATOM 644 CA GLY A 47 2.229 -9.757 -6.203 1.00 0.00 C ATOM 645 C GLY A 47 3.398 -10.500 -5.589 1.00 0.00 C ATOM 646 O GLY A 47 3.556 -11.702 -5.797 1.00 0.00 O ATOM 0 H GLY A 47 1.686 -9.031 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.722 -10.409 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.602 -8.900 -6.765 1.00 0.00 H new ATOM 650 N GLU A 48 4.221 -9.782 -4.830 1.00 0.00 N ATOM 651 CA GLU A 48 5.384 -10.382 -4.186 1.00 0.00 C ATOM 652 C GLU A 48 6.416 -10.816 -5.222 1.00 0.00 C ATOM 653 O GLU A 48 6.952 -11.923 -5.155 1.00 0.00 O ATOM 654 CB GLU A 48 4.961 -11.582 -3.336 1.00 0.00 C ATOM 655 CG GLU A 48 6.032 -12.049 -2.366 1.00 0.00 C ATOM 656 CD GLU A 48 6.190 -11.120 -1.178 1.00 0.00 C ATOM 657 OE1 GLU A 48 5.206 -10.942 -0.430 1.00 0.00 O ATOM 658 OE2 GLU A 48 7.296 -10.569 -0.998 1.00 0.00 O ATOM 0 H GLU A 48 4.104 -8.786 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 48 5.838 -9.631 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.064 -11.321 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.695 -12.408 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.783 -13.049 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.984 -12.126 -2.891 1.00 0.00 H new ATOM 665 N LYS A 49 6.690 -9.937 -6.179 1.00 0.00 N ATOM 666 CA LYS A 49 7.659 -10.227 -7.230 1.00 0.00 C ATOM 667 C LYS A 49 8.775 -9.187 -7.243 1.00 0.00 C ATOM 668 O LYS A 49 8.781 -8.279 -8.073 1.00 0.00 O ATOM 669 CB LYS A 49 6.967 -10.264 -8.594 1.00 0.00 C ATOM 670 CG LYS A 49 7.655 -11.169 -9.602 1.00 0.00 C ATOM 671 CD LYS A 49 6.855 -11.282 -10.888 1.00 0.00 C ATOM 672 CE LYS A 49 5.762 -12.334 -10.775 1.00 0.00 C ATOM 673 NZ LYS A 49 6.308 -13.715 -10.880 1.00 0.00 N ATOM 0 H LYS A 49 6.255 -9.017 -6.249 1.00 0.00 H new ATOM 0 HA LYS A 49 8.098 -11.203 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.938 -10.599 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.923 -9.252 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.648 -10.779 -9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.791 -12.160 -9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.409 -10.316 -11.126 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.522 -11.536 -11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.245 -12.219 -9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.023 -12.175 -11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.523 -14.397 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.880 -13.797 -11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.903 -13.917 -10.051 1.00 0.00 H new ATOM 687 N SER A 50 9.720 -9.328 -6.320 1.00 0.00 N ATOM 688 CA SER A 50 10.841 -8.401 -6.223 1.00 0.00 C ATOM 689 C SER A 50 12.091 -8.989 -6.871 1.00 0.00 C ATOM 690 O SER A 50 12.973 -9.505 -6.186 1.00 0.00 O ATOM 691 CB SER A 50 11.124 -8.059 -4.759 1.00 0.00 C ATOM 692 OG SER A 50 12.266 -7.228 -4.641 1.00 0.00 O ATOM 0 H SER A 50 9.732 -10.077 -5.627 1.00 0.00 H new ATOM 0 HA SER A 50 10.572 -7.489 -6.756 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.259 -7.557 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.278 -8.977 -4.191 1.00 0.00 H new ATOM 0 HG SER A 50 12.425 -7.022 -3.696 1.00 0.00 H new ATOM 698 N SER A 51 12.158 -8.906 -8.196 1.00 0.00 N ATOM 699 CA SER A 51 13.297 -9.433 -8.938 1.00 0.00 C ATOM 700 C SER A 51 14.284 -8.322 -9.280 1.00 0.00 C ATOM 701 O SER A 51 15.482 -8.441 -9.028 1.00 0.00 O ATOM 702 CB SER A 51 12.823 -10.122 -10.220 1.00 0.00 C ATOM 703 OG SER A 51 13.919 -10.626 -10.963 1.00 0.00 O ATOM 0 H SER A 51 11.437 -8.479 -8.777 1.00 0.00 H new ATOM 0 HA SER A 51 13.803 -10.163 -8.307 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.144 -10.937 -9.969 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.260 -9.415 -10.830 1.00 0.00 H new ATOM 0 HG SER A 51 13.590 -11.063 -11.776 1.00 0.00 H new ATOM 709 N GLY A 52 13.770 -7.239 -9.857 1.00 0.00 N ATOM 710 CA GLY A 52 14.619 -6.121 -10.225 1.00 0.00 C ATOM 711 C GLY A 52 13.958 -4.782 -9.969 1.00 0.00 C ATOM 712 O GLY A 52 12.908 -4.466 -10.531 1.00 0.00 O ATOM 0 H GLY A 52 12.781 -7.117 -10.076 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.551 -6.176 -9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.879 -6.198 -11.281 1.00 0.00 H new ATOM 716 N PRO A 53 14.575 -3.968 -9.100 1.00 0.00 N ATOM 717 CA PRO A 53 14.056 -2.643 -8.750 1.00 0.00 C ATOM 718 C PRO A 53 14.166 -1.653 -9.905 1.00 0.00 C ATOM 719 O PRO A 53 13.823 -0.480 -9.764 1.00 0.00 O ATOM 720 CB PRO A 53 14.951 -2.207 -7.587 1.00 0.00 C ATOM 721 CG PRO A 53 16.221 -2.962 -7.782 1.00 0.00 C ATOM 722 CD PRO A 53 15.830 -4.279 -8.393 1.00 0.00 C ATOM 0 HA PRO A 53 12.995 -2.674 -8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.124 -1.131 -7.602 1.00 0.00 H new ATOM 0 HB3 PRO A 53 14.494 -2.443 -6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.903 -2.416 -8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.737 -3.110 -6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 53 16.595 -4.648 -9.076 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.684 -5.047 -7.633 1.00 0.00 H new ATOM 730 N SER A 54 14.646 -2.134 -11.047 1.00 0.00 N ATOM 731 CA SER A 54 14.804 -1.292 -12.226 1.00 0.00 C ATOM 732 C SER A 54 13.466 -0.698 -12.653 1.00 0.00 C ATOM 733 O SER A 54 12.647 -1.371 -13.281 1.00 0.00 O ATOM 734 CB SER A 54 15.409 -2.097 -13.378 1.00 0.00 C ATOM 735 OG SER A 54 16.119 -1.257 -14.270 1.00 0.00 O ATOM 0 H SER A 54 14.932 -3.104 -11.181 1.00 0.00 H new ATOM 0 HA SER A 54 15.479 -0.475 -11.970 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.079 -2.859 -12.980 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.617 -2.618 -13.917 1.00 0.00 H new ATOM 0 HG SER A 54 16.497 -1.796 -14.996 1.00 0.00 H new ATOM 741 N SER A 55 13.248 0.567 -12.307 1.00 0.00 N ATOM 742 CA SER A 55 12.008 1.251 -12.651 1.00 0.00 C ATOM 743 C SER A 55 12.250 2.315 -13.716 1.00 0.00 C ATOM 744 O SER A 55 12.950 3.300 -13.479 1.00 0.00 O ATOM 745 CB SER A 55 11.392 1.891 -11.405 1.00 0.00 C ATOM 746 OG SER A 55 10.731 0.924 -10.607 1.00 0.00 O ATOM 0 H SER A 55 13.915 1.139 -11.788 1.00 0.00 H new ATOM 0 HA SER A 55 11.315 0.512 -13.053 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.172 2.378 -10.820 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.685 2.666 -11.702 1.00 0.00 H new ATOM 0 HG SER A 55 10.348 1.359 -9.817 1.00 0.00 H new ATOM 752 N GLY A 56 11.668 2.109 -14.893 1.00 0.00 N ATOM 753 CA GLY A 56 11.832 3.058 -15.978 1.00 0.00 C ATOM 754 C GLY A 56 13.290 3.325 -16.300 1.00 0.00 C ATOM 755 O GLY A 56 13.891 4.255 -15.763 1.00 0.00 O ATOM 0 H GLY A 56 11.086 1.301 -15.115 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.330 2.678 -16.868 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.344 3.996 -15.713 1.00 0.00 H new TER 759 GLY A 56