USER MOD reduce.3.24.130724 H: found=0, std=0, add=115, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 120 hydrogens (2 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 44 THR OG1 : rot 96:sc= 1.27 USER MOD Set 1.2: A 55 THR OG1 : rot 42:sc= 2.31 USER MOD Single : A 49 THR OG1 : rot -21:sc= 1.15 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 61:sc= 1.17 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -3.600 14.694 -0.395 1.00 0.00 N ATOM 2 CA GLY A 41 -2.321 14.087 0.007 1.00 0.00 C ATOM 3 C GLY A 41 -2.522 13.124 1.168 1.00 0.00 C ATOM 4 O GLY A 41 -2.448 13.537 2.324 1.00 0.00 O ATOM 0 HA2 GLY A 41 -1.883 13.558 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.617 14.868 0.294 1.00 0.00 H new ATOM 10 N GLU A 42 -2.797 11.853 0.864 1.00 0.00 N ATOM 11 CA GLU A 42 -3.082 10.817 1.866 1.00 0.00 C ATOM 12 C GLU A 42 -2.592 9.416 1.443 1.00 0.00 C ATOM 13 O GLU A 42 -2.240 9.184 0.280 1.00 0.00 O ATOM 14 CB GLU A 42 -4.590 10.808 2.181 1.00 0.00 C ATOM 15 CG GLU A 42 -5.462 10.483 0.956 1.00 0.00 C ATOM 16 CD GLU A 42 -6.909 10.204 1.354 1.00 0.00 C ATOM 17 OE1 GLU A 42 -7.180 9.044 1.737 1.00 0.00 O ATOM 18 OE2 GLU A 42 -7.723 11.150 1.262 1.00 0.00 O ATOM 0 H GLU A 42 -2.829 11.508 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.522 11.067 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.787 10.076 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.878 11.782 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.431 11.317 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.053 9.616 0.437 1.00 0.00 H new ATOM 25 N TRP A 43 -2.578 8.470 2.392 1.00 0.00 N ATOM 26 CA TRP A 43 -2.177 7.077 2.176 1.00 0.00 C ATOM 27 C TRP A 43 -3.383 6.153 1.966 1.00 0.00 C ATOM 28 O TRP A 43 -4.289 6.113 2.796 1.00 0.00 O ATOM 29 CB TRP A 43 -1.320 6.586 3.353 1.00 0.00 C ATOM 30 CG TRP A 43 0.080 7.117 3.377 1.00 0.00 C ATOM 31 CD1 TRP A 43 0.572 8.048 4.229 1.00 0.00 C ATOM 32 CD2 TRP A 43 1.208 6.675 2.565 1.00 0.00 C ATOM 33 NE1 TRP A 43 1.927 8.211 3.994 1.00 0.00 N ATOM 34 CE2 TRP A 43 2.387 7.326 3.039 1.00 0.00 C ATOM 35 CE3 TRP A 43 1.362 5.727 1.530 1.00 0.00 C ATOM 36 CZ2 TRP A 43 3.663 7.022 2.538 1.00 0.00 C ATOM 37 CZ3 TRP A 43 2.637 5.414 1.015 1.00 0.00 C ATOM 38 CH2 TRP A 43 3.785 6.055 1.521 1.00 0.00 C ATOM 0 H TRP A 43 -2.853 8.660 3.356 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.585 7.043 1.261 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.814 6.863 4.284 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.280 5.497 3.325 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.002 8.579 4.974 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.512 8.899 4.467 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.490 5.234 1.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.538 7.522 2.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.734 4.680 0.229 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.760 5.805 1.129 1.00 0.00 H new ATOM 49 N THR A 44 -3.336 5.349 0.896 1.00 0.00 N ATOM 50 CA THR A 44 -4.387 4.402 0.488 1.00 0.00 C ATOM 51 C THR A 44 -3.809 2.974 0.395 1.00 0.00 C ATOM 52 O THR A 44 -2.609 2.807 0.168 1.00 0.00 O ATOM 53 CB THR A 44 -4.991 4.882 -0.850 1.00 0.00 C ATOM 54 OG1 THR A 44 -5.509 6.192 -0.716 1.00 0.00 O ATOM 55 CG2 THR A 44 -6.160 4.020 -1.331 1.00 0.00 C ATOM 0 H THR A 44 -2.535 5.338 0.265 1.00 0.00 H new ATOM 0 HA THR A 44 -5.184 4.369 1.231 1.00 0.00 H new ATOM 0 HB THR A 44 -4.172 4.825 -1.567 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.838 6.841 -1.014 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.537 4.412 -2.275 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.821 2.994 -1.474 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.956 4.039 -0.587 1.00 0.00 H new ATOM 63 N TRP A 45 -4.634 1.929 0.572 1.00 0.00 N ATOM 64 CA TRP A 45 -4.204 0.517 0.625 1.00 0.00 C ATOM 65 C TRP A 45 -4.437 -0.212 -0.709 1.00 0.00 C ATOM 66 O TRP A 45 -5.464 -0.003 -1.352 1.00 0.00 O ATOM 67 CB TRP A 45 -4.949 -0.195 1.768 1.00 0.00 C ATOM 68 CG TRP A 45 -4.682 -1.666 1.897 1.00 0.00 C ATOM 69 CD1 TRP A 45 -5.543 -2.659 1.577 1.00 0.00 C ATOM 70 CD2 TRP A 45 -3.478 -2.325 2.384 1.00 0.00 C ATOM 71 NE1 TRP A 45 -4.947 -3.880 1.819 1.00 0.00 N ATOM 72 CE2 TRP A 45 -3.676 -3.733 2.325 1.00 0.00 C ATOM 73 CE3 TRP A 45 -2.245 -1.869 2.883 1.00 0.00 C ATOM 74 CZ2 TRP A 45 -2.696 -4.647 2.736 1.00 0.00 C ATOM 75 CZ3 TRP A 45 -1.258 -2.773 3.308 1.00 0.00 C ATOM 76 CH2 TRP A 45 -1.479 -4.157 3.236 1.00 0.00 C ATOM 0 H TRP A 45 -5.641 2.042 0.685 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.130 0.495 0.811 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -4.683 0.288 2.708 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.020 -0.049 1.626 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.542 -2.518 1.192 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -5.394 -4.780 1.644 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.054 -0.808 2.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.874 -5.710 2.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -0.321 -2.400 3.694 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.714 -4.844 3.565 1.00 0.00 H new ATOM 87 N ASP A 46 -3.510 -1.105 -1.093 1.00 0.00 N ATOM 88 CA ASP A 46 -3.526 -1.815 -2.380 1.00 0.00 C ATOM 89 C ASP A 46 -3.153 -3.306 -2.235 1.00 0.00 C ATOM 90 O ASP A 46 -1.976 -3.681 -2.304 1.00 0.00 O ATOM 91 CB ASP A 46 -2.607 -1.061 -3.354 1.00 0.00 C ATOM 92 CG ASP A 46 -2.680 -1.606 -4.785 1.00 0.00 C ATOM 93 OD1 ASP A 46 -2.103 -2.686 -5.031 1.00 0.00 O ATOM 94 OD2 ASP A 46 -3.323 -0.929 -5.618 1.00 0.00 O ATOM 0 H ASP A 46 -2.715 -1.357 -0.506 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.540 -1.824 -2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.878 -0.005 -3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.579 -1.124 -2.998 1.00 0.00 H new ATOM 99 N ASP A 47 -4.165 -4.166 -2.051 1.00 0.00 N ATOM 100 CA ASP A 47 -4.024 -5.618 -1.866 1.00 0.00 C ATOM 101 C ASP A 47 -3.217 -6.333 -2.958 1.00 0.00 C ATOM 102 O ASP A 47 -2.478 -7.258 -2.633 1.00 0.00 O ATOM 103 CB ASP A 47 -5.407 -6.278 -1.755 1.00 0.00 C ATOM 104 CG ASP A 47 -6.139 -5.886 -0.474 1.00 0.00 C ATOM 105 OD1 ASP A 47 -5.795 -6.469 0.579 1.00 0.00 O ATOM 106 OD2 ASP A 47 -7.022 -5.006 -0.564 1.00 0.00 O ATOM 0 H ASP A 47 -5.138 -3.860 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.456 -5.729 -0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.012 -5.995 -2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.293 -7.362 -1.788 1.00 0.00 H new ATOM 111 N ALA A 48 -3.294 -5.912 -4.229 1.00 0.00 N ATOM 112 CA ALA A 48 -2.476 -6.485 -5.312 1.00 0.00 C ATOM 113 C ALA A 48 -0.961 -6.226 -5.158 1.00 0.00 C ATOM 114 O ALA A 48 -0.163 -6.734 -5.938 1.00 0.00 O ATOM 115 CB ALA A 48 -3.000 -5.994 -6.664 1.00 0.00 C ATOM 0 H ALA A 48 -3.921 -5.169 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.579 -7.568 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.394 -6.418 -7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.037 -6.307 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.943 -4.906 -6.703 1.00 0.00 H new ATOM 121 N THR A 49 -0.574 -5.465 -4.132 1.00 0.00 N ATOM 122 CA THR A 49 0.805 -5.245 -3.682 1.00 0.00 C ATOM 123 C THR A 49 0.967 -5.471 -2.176 1.00 0.00 C ATOM 124 O THR A 49 2.084 -5.351 -1.683 1.00 0.00 O ATOM 125 CB THR A 49 1.245 -3.802 -4.011 1.00 0.00 C ATOM 126 OG1 THR A 49 0.479 -2.870 -3.269 1.00 0.00 O ATOM 127 CG2 THR A 49 1.176 -3.453 -5.502 1.00 0.00 C ATOM 0 H THR A 49 -1.250 -4.958 -3.561 1.00 0.00 H new ATOM 0 HA THR A 49 1.428 -5.968 -4.208 1.00 0.00 H new ATOM 0 HB THR A 49 2.296 -3.743 -3.727 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.356 -3.292 -2.977 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.501 -2.423 -5.650 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.827 -4.123 -6.063 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.151 -3.564 -5.855 1.00 0.00 H new ATOM 135 N LYS A 50 -0.108 -5.840 -1.454 1.00 0.00 N ATOM 136 CA LYS A 50 -0.230 -5.881 0.021 1.00 0.00 C ATOM 137 C LYS A 50 0.624 -4.791 0.700 1.00 0.00 C ATOM 138 O LYS A 50 1.367 -5.054 1.642 1.00 0.00 O ATOM 139 CB LYS A 50 -0.032 -7.293 0.609 1.00 0.00 C ATOM 140 CG LYS A 50 -0.883 -8.364 -0.098 1.00 0.00 C ATOM 141 CD LYS A 50 -0.827 -9.735 0.594 1.00 0.00 C ATOM 142 CE LYS A 50 -2.071 -10.558 0.233 1.00 0.00 C ATOM 143 NZ LYS A 50 -2.098 -11.849 0.942 1.00 0.00 N ATOM 0 H LYS A 50 -0.970 -6.137 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.265 -5.636 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.021 -7.567 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.285 -7.278 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.919 -8.027 -0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.541 -8.470 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.073 -10.269 0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.769 -9.604 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.967 -9.989 0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.091 -10.734 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.953 -12.376 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.255 -12.403 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.105 -11.681 1.968 1.00 0.00 H new ATOM 157 N THR A 51 0.498 -3.558 0.192 1.00 0.00 N ATOM 158 CA THR A 51 1.283 -2.377 0.583 1.00 0.00 C ATOM 159 C THR A 51 0.368 -1.141 0.634 1.00 0.00 C ATOM 160 O THR A 51 -0.766 -1.156 0.143 1.00 0.00 O ATOM 161 CB THR A 51 2.475 -2.135 -0.382 1.00 0.00 C ATOM 162 OG1 THR A 51 3.219 -3.308 -0.630 1.00 0.00 O ATOM 163 CG2 THR A 51 3.545 -1.198 0.200 1.00 0.00 C ATOM 0 H THR A 51 -0.184 -3.346 -0.536 1.00 0.00 H new ATOM 0 HA THR A 51 1.701 -2.558 1.573 1.00 0.00 H new ATOM 0 HB THR A 51 1.985 -1.730 -1.267 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.640 -3.981 -1.045 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.350 -1.071 -0.524 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.099 -0.228 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.947 -1.629 1.117 1.00 0.00 H new ATOM 171 N TRP A 52 0.888 -0.044 1.190 1.00 0.00 N ATOM 172 CA TRP A 52 0.276 1.281 1.155 1.00 0.00 C ATOM 173 C TRP A 52 0.892 2.104 0.027 1.00 0.00 C ATOM 174 O TRP A 52 2.091 2.037 -0.229 1.00 0.00 O ATOM 175 CB TRP A 52 0.500 1.992 2.497 1.00 0.00 C ATOM 176 CG TRP A 52 -0.261 1.397 3.637 1.00 0.00 C ATOM 177 CD1 TRP A 52 0.213 0.496 4.530 1.00 0.00 C ATOM 178 CD2 TRP A 52 -1.623 1.706 4.055 1.00 0.00 C ATOM 179 NE1 TRP A 52 -0.790 0.169 5.424 1.00 0.00 N ATOM 180 CE2 TRP A 52 -1.926 0.926 5.210 1.00 0.00 C ATOM 181 CE3 TRP A 52 -2.611 2.606 3.599 1.00 0.00 C ATOM 182 CZ2 TRP A 52 -3.157 1.027 5.876 1.00 0.00 C ATOM 183 CZ3 TRP A 52 -3.841 2.734 4.272 1.00 0.00 C ATOM 184 CH2 TRP A 52 -4.115 1.946 5.407 1.00 0.00 C ATOM 0 H TRP A 52 1.775 -0.057 1.693 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.795 1.176 0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.564 1.971 2.734 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.217 3.039 2.393 1.00 0.00 H new ATOM 0 HD1 TRP A 52 1.216 0.096 4.542 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.702 -0.542 6.150 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.420 3.205 2.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -3.367 0.409 6.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.578 3.439 3.917 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -5.061 2.047 5.918 1.00 0.00 H new ATOM 195 N THR A 53 0.066 2.910 -0.636 1.00 0.00 N ATOM 196 CA THR A 53 0.436 3.737 -1.789 1.00 0.00 C ATOM 197 C THR A 53 -0.041 5.168 -1.529 1.00 0.00 C ATOM 198 O THR A 53 -1.105 5.389 -0.944 1.00 0.00 O ATOM 199 CB THR A 53 -0.166 3.144 -3.076 1.00 0.00 C ATOM 200 OG1 THR A 53 0.165 1.776 -3.165 1.00 0.00 O ATOM 201 CG2 THR A 53 0.373 3.782 -4.357 1.00 0.00 C ATOM 0 H THR A 53 -0.916 3.011 -0.378 1.00 0.00 H new ATOM 0 HA THR A 53 1.517 3.753 -1.925 1.00 0.00 H new ATOM 0 HB THR A 53 -1.238 3.328 -3.005 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.220 1.399 -3.984 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.096 3.314 -5.222 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.148 4.848 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.452 3.639 -4.408 1.00 0.00 H new ATOM 209 N TRP A 54 0.809 6.145 -1.845 1.00 0.00 N ATOM 210 CA TRP A 54 0.488 7.556 -1.660 1.00 0.00 C ATOM 211 C TRP A 54 -0.459 8.051 -2.757 1.00 0.00 C ATOM 212 O TRP A 54 -0.353 7.653 -3.916 1.00 0.00 O ATOM 213 CB TRP A 54 1.806 8.339 -1.545 1.00 0.00 C ATOM 214 CG TRP A 54 1.712 9.817 -1.332 1.00 0.00 C ATOM 215 CD1 TRP A 54 2.135 10.772 -2.190 1.00 0.00 C ATOM 216 CD2 TRP A 54 1.262 10.518 -0.140 1.00 0.00 C ATOM 217 NE1 TRP A 54 1.974 12.016 -1.609 1.00 0.00 N ATOM 218 CE2 TRP A 54 1.452 11.916 -0.336 1.00 0.00 C ATOM 219 CE3 TRP A 54 0.747 10.103 1.104 1.00 0.00 C ATOM 220 CZ2 TRP A 54 1.149 12.859 0.658 1.00 0.00 C ATOM 221 CZ3 TRP A 54 0.449 11.035 2.112 1.00 0.00 C ATOM 222 CH2 TRP A 54 0.648 12.409 1.892 1.00 0.00 C ATOM 0 H TRP A 54 1.737 5.979 -2.235 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.065 7.718 -0.735 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.379 7.915 -0.720 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.381 8.166 -2.454 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.536 10.591 -3.176 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.211 12.897 -2.064 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.579 9.052 1.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.298 13.913 0.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.065 10.694 3.062 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.416 13.119 2.672 1.00 0.00 H new ATOM 233 N THR A 55 -1.373 8.949 -2.379 1.00 0.00 N ATOM 234 CA THR A 55 -2.514 9.394 -3.188 1.00 0.00 C ATOM 235 C THR A 55 -2.698 10.916 -3.075 1.00 0.00 C ATOM 236 O THR A 55 -2.919 11.445 -1.986 1.00 0.00 O ATOM 237 CB THR A 55 -3.797 8.604 -2.809 1.00 0.00 C ATOM 238 OG1 THR A 55 -3.811 8.079 -1.488 1.00 0.00 O ATOM 239 CG2 THR A 55 -3.965 7.386 -3.724 1.00 0.00 C ATOM 0 H THR A 55 -1.338 9.404 -1.467 1.00 0.00 H new ATOM 0 HA THR A 55 -2.311 9.179 -4.237 1.00 0.00 H new ATOM 0 HB THR A 55 -4.593 9.342 -2.908 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.448 8.745 -0.868 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.868 6.843 -3.445 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.045 7.717 -4.759 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.101 6.730 -3.619 1.00 0.00 H new ATOM 247 N GLU A 56 -2.543 11.613 -4.211 1.00 0.00 N ATOM 248 CA GLU A 56 -2.456 13.077 -4.349 1.00 0.00 C ATOM 249 C GLU A 56 -3.784 13.832 -4.142 1.00 0.00 C ATOM 250 O GLU A 56 -3.791 14.934 -3.606 1.00 0.00 O ATOM 251 CB GLU A 56 -1.902 13.367 -5.758 1.00 0.00 C ATOM 252 CG GLU A 56 -1.344 14.786 -5.951 1.00 0.00 C ATOM 253 CD GLU A 56 -0.868 14.996 -7.391 1.00 0.00 C ATOM 254 OE1 GLU A 56 0.145 14.359 -7.758 1.00 0.00 O ATOM 255 OE2 GLU A 56 -1.526 15.783 -8.105 1.00 0.00 O ATOM 0 H GLU A 56 -2.471 11.142 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.806 13.443 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.113 12.648 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.696 13.202 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.113 15.519 -5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.516 14.952 -5.262 1.00 0.00 H new HETATM 262 N NH2 A 57 -4.920 13.273 -4.552 1.00 0.00 N TER 265 NH2 A 57