USER MOD reduce.3.24.130724 H: found=0, std=0, add=115, rem=0, adj=6 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 -120:sc= 1.38 USER MOD Set 1.2: A 55 THR OG1 : rot 138:sc= 1.16 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0.0011 (180deg=-0.0133) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0593 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -2.203 15.076 -0.942 1.00 0.00 N ATOM 2 CA GLY A 41 -2.552 13.681 -1.252 1.00 0.00 C ATOM 3 C GLY A 41 -2.920 12.909 0.008 1.00 0.00 C ATOM 4 O GLY A 41 -2.895 13.452 1.114 1.00 0.00 O ATOM 0 HA2 GLY A 41 -3.388 13.660 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.711 13.195 -1.746 1.00 0.00 H new ATOM 10 N GLU A 42 -3.257 11.631 -0.154 1.00 0.00 N ATOM 11 CA GLU A 42 -3.652 10.769 0.960 1.00 0.00 C ATOM 12 C GLU A 42 -3.005 9.374 0.869 1.00 0.00 C ATOM 13 O GLU A 42 -2.527 8.962 -0.194 1.00 0.00 O ATOM 14 CB GLU A 42 -5.189 10.806 1.092 1.00 0.00 C ATOM 15 CG GLU A 42 -6.017 10.301 -0.111 1.00 0.00 C ATOM 16 CD GLU A 42 -6.442 8.828 -0.057 1.00 0.00 C ATOM 17 OE1 GLU A 42 -6.447 8.240 1.047 1.00 0.00 O ATOM 18 OE2 GLU A 42 -6.791 8.311 -1.139 1.00 0.00 O ATOM 0 H GLU A 42 -3.264 11.163 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.259 11.145 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.467 10.215 1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.485 11.835 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.913 10.915 -0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.436 10.459 -1.020 1.00 0.00 H new ATOM 25 N TRP A 43 -2.931 8.654 1.997 1.00 0.00 N ATOM 26 CA TRP A 43 -2.343 7.313 2.057 1.00 0.00 C ATOM 27 C TRP A 43 -3.455 6.268 1.935 1.00 0.00 C ATOM 28 O TRP A 43 -4.452 6.329 2.652 1.00 0.00 O ATOM 29 CB TRP A 43 -1.482 7.126 3.315 1.00 0.00 C ATOM 30 CG TRP A 43 -0.083 7.671 3.239 1.00 0.00 C ATOM 31 CD1 TRP A 43 0.420 8.699 3.963 1.00 0.00 C ATOM 32 CD2 TRP A 43 1.036 7.162 2.445 1.00 0.00 C ATOM 33 NE1 TRP A 43 1.761 8.867 3.663 1.00 0.00 N ATOM 34 CE2 TRP A 43 2.199 7.928 2.753 1.00 0.00 C ATOM 35 CE3 TRP A 43 1.194 6.098 1.529 1.00 0.00 C ATOM 36 CZ2 TRP A 43 3.452 7.666 2.175 1.00 0.00 C ATOM 37 CZ3 TRP A 43 2.445 5.823 0.940 1.00 0.00 C ATOM 38 CH2 TRP A 43 3.571 6.606 1.257 1.00 0.00 C ATOM 0 H TRP A 43 -3.279 8.989 2.895 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.661 7.180 1.217 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.991 7.600 4.154 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.425 6.061 3.538 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.140 9.297 4.667 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.352 9.595 4.065 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.342 5.485 1.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.311 8.269 2.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.540 5.006 0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.525 6.394 0.797 1.00 0.00 H new ATOM 49 N THR A 44 -3.297 5.330 0.992 1.00 0.00 N ATOM 50 CA THR A 44 -4.337 4.379 0.555 1.00 0.00 C ATOM 51 C THR A 44 -3.768 2.956 0.439 1.00 0.00 C ATOM 52 O THR A 44 -2.630 2.759 0.005 1.00 0.00 O ATOM 53 CB THR A 44 -4.928 4.834 -0.801 1.00 0.00 C ATOM 54 OG1 THR A 44 -4.682 6.194 -1.089 1.00 0.00 O ATOM 55 CG2 THR A 44 -6.448 4.701 -0.834 1.00 0.00 C ATOM 0 H THR A 44 -2.415 5.205 0.494 1.00 0.00 H new ATOM 0 HA THR A 44 -5.129 4.365 1.304 1.00 0.00 H new ATOM 0 HB THR A 44 -4.438 4.185 -1.526 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.535 6.667 -1.189 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.821 5.031 -1.803 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.726 3.659 -0.674 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.884 5.318 -0.048 1.00 0.00 H new ATOM 63 N TRP A 45 -4.533 1.948 0.868 1.00 0.00 N ATOM 64 CA TRP A 45 -4.083 0.549 0.908 1.00 0.00 C ATOM 65 C TRP A 45 -4.268 -0.164 -0.442 1.00 0.00 C ATOM 66 O TRP A 45 -5.258 0.056 -1.135 1.00 0.00 O ATOM 67 CB TRP A 45 -4.840 -0.184 2.022 1.00 0.00 C ATOM 68 CG TRP A 45 -4.521 -1.637 2.169 1.00 0.00 C ATOM 69 CD1 TRP A 45 -5.345 -2.656 1.835 1.00 0.00 C ATOM 70 CD2 TRP A 45 -3.300 -2.252 2.673 1.00 0.00 C ATOM 71 NE1 TRP A 45 -4.722 -3.857 2.109 1.00 0.00 N ATOM 72 CE2 TRP A 45 -3.459 -3.667 2.628 1.00 0.00 C ATOM 73 CE3 TRP A 45 -2.079 -1.756 3.168 1.00 0.00 C ATOM 74 CZ2 TRP A 45 -2.456 -4.547 3.062 1.00 0.00 C ATOM 75 CZ3 TRP A 45 -1.059 -2.628 3.590 1.00 0.00 C ATOM 76 CH2 TRP A 45 -1.246 -4.019 3.543 1.00 0.00 C ATOM 0 H TRP A 45 -5.489 2.078 1.200 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.013 0.537 1.116 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -4.630 0.314 2.969 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -5.910 -0.081 1.839 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.336 -2.547 1.419 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -5.144 -4.772 1.948 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -1.923 -0.689 3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.612 -5.615 3.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -0.125 -2.225 3.953 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.461 -4.682 3.876 1.00 0.00 H new ATOM 87 N ASP A 46 -3.346 -1.084 -0.774 1.00 0.00 N ATOM 88 CA ASP A 46 -3.276 -1.727 -2.087 1.00 0.00 C ATOM 89 C ASP A 46 -2.931 -3.228 -2.027 1.00 0.00 C ATOM 90 O ASP A 46 -1.767 -3.628 -2.033 1.00 0.00 O ATOM 91 CB ASP A 46 -2.297 -0.932 -2.957 1.00 0.00 C ATOM 92 CG ASP A 46 -2.319 -1.398 -4.411 1.00 0.00 C ATOM 93 OD1 ASP A 46 -3.408 -1.309 -5.021 1.00 0.00 O ATOM 94 OD2 ASP A 46 -1.255 -1.845 -4.888 1.00 0.00 O ATOM 0 H ASP A 46 -2.623 -1.402 -0.128 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.269 -1.708 -2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.549 0.127 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.288 -1.037 -2.557 1.00 0.00 H new ATOM 99 N ASP A 47 -3.973 -4.062 -2.005 1.00 0.00 N ATOM 100 CA ASP A 47 -3.966 -5.532 -1.991 1.00 0.00 C ATOM 101 C ASP A 47 -3.284 -6.199 -3.205 1.00 0.00 C ATOM 102 O ASP A 47 -2.782 -7.312 -3.083 1.00 0.00 O ATOM 103 CB ASP A 47 -5.438 -5.961 -1.903 1.00 0.00 C ATOM 104 CG ASP A 47 -5.640 -7.471 -1.780 1.00 0.00 C ATOM 105 OD1 ASP A 47 -5.302 -8.005 -0.702 1.00 0.00 O ATOM 106 OD2 ASP A 47 -6.148 -8.059 -2.760 1.00 0.00 O ATOM 0 H ASP A 47 -4.926 -3.698 -1.996 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.367 -5.863 -1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.897 -5.472 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.963 -5.606 -2.790 1.00 0.00 H new ATOM 111 N ALA A 48 -3.232 -5.527 -4.365 1.00 0.00 N ATOM 112 CA ALA A 48 -2.539 -5.995 -5.576 1.00 0.00 C ATOM 113 C ALA A 48 -1.009 -6.141 -5.408 1.00 0.00 C ATOM 114 O ALA A 48 -0.323 -6.707 -6.256 1.00 0.00 O ATOM 115 CB ALA A 48 -2.883 -5.033 -6.720 1.00 0.00 C ATOM 0 H ALA A 48 -3.682 -4.620 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.888 -7.004 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.381 -5.357 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.961 -5.030 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.552 -4.027 -6.462 1.00 0.00 H new ATOM 121 N THR A 49 -0.459 -5.608 -4.315 1.00 0.00 N ATOM 122 CA THR A 49 0.927 -5.809 -3.853 1.00 0.00 C ATOM 123 C THR A 49 1.013 -6.008 -2.328 1.00 0.00 C ATOM 124 O THR A 49 2.035 -6.467 -1.826 1.00 0.00 O ATOM 125 CB THR A 49 1.782 -4.625 -4.331 1.00 0.00 C ATOM 126 OG1 THR A 49 1.727 -4.602 -5.742 1.00 0.00 O ATOM 127 CG2 THR A 49 3.258 -4.695 -3.942 1.00 0.00 C ATOM 0 H THR A 49 -0.988 -4.995 -3.695 1.00 0.00 H new ATOM 0 HA THR A 49 1.315 -6.731 -4.286 1.00 0.00 H new ATOM 0 HB THR A 49 1.371 -3.737 -3.850 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.263 -3.854 -6.078 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.777 -3.816 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.347 -4.725 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.704 -5.594 -4.368 1.00 0.00 H new ATOM 135 N LYS A 50 -0.078 -5.719 -1.604 1.00 0.00 N ATOM 136 CA LYS A 50 -0.277 -5.756 -0.153 1.00 0.00 C ATOM 137 C LYS A 50 0.577 -4.710 0.576 1.00 0.00 C ATOM 138 O LYS A 50 1.374 -5.033 1.454 1.00 0.00 O ATOM 139 CB LYS A 50 -0.190 -7.203 0.376 1.00 0.00 C ATOM 140 CG LYS A 50 -1.245 -8.099 -0.302 1.00 0.00 C ATOM 141 CD LYS A 50 -1.372 -9.485 0.341 1.00 0.00 C ATOM 142 CE LYS A 50 -2.703 -10.177 0.000 1.00 0.00 C ATOM 143 NZ LYS A 50 -2.968 -10.271 -1.448 1.00 0.00 N ATOM 0 H LYS A 50 -0.933 -5.422 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.294 -5.442 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.807 -7.603 0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.340 -7.210 1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.213 -7.599 -0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.988 -8.217 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.545 -10.113 0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.284 -9.389 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.700 -11.180 0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.518 -9.631 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.827 -10.835 -1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.103 -9.317 -1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.161 -10.727 -1.920 1.00 0.00 H new ATOM 157 N THR A 51 0.377 -3.432 0.220 1.00 0.00 N ATOM 158 CA THR A 51 1.144 -2.296 0.770 1.00 0.00 C ATOM 159 C THR A 51 0.323 -0.999 0.925 1.00 0.00 C ATOM 160 O THR A 51 -0.831 -0.929 0.493 1.00 0.00 O ATOM 161 CB THR A 51 2.390 -2.067 -0.099 1.00 0.00 C ATOM 162 OG1 THR A 51 3.312 -1.283 0.625 1.00 0.00 O ATOM 163 CG2 THR A 51 2.073 -1.390 -1.438 1.00 0.00 C ATOM 0 H THR A 51 -0.327 -3.152 -0.463 1.00 0.00 H new ATOM 0 HA THR A 51 1.436 -2.563 1.786 1.00 0.00 H new ATOM 0 HB THR A 51 2.810 -3.045 -0.336 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.112 -1.132 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.994 -1.256 -2.005 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.384 -2.014 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.615 -0.418 -1.255 1.00 0.00 H new ATOM 171 N TRP A 52 0.939 0.060 1.473 1.00 0.00 N ATOM 172 CA TRP A 52 0.390 1.422 1.507 1.00 0.00 C ATOM 173 C TRP A 52 1.004 2.238 0.371 1.00 0.00 C ATOM 174 O TRP A 52 2.222 2.389 0.281 1.00 0.00 O ATOM 175 CB TRP A 52 0.602 2.134 2.859 1.00 0.00 C ATOM 176 CG TRP A 52 -0.233 1.631 4.000 1.00 0.00 C ATOM 177 CD1 TRP A 52 0.211 0.821 4.989 1.00 0.00 C ATOM 178 CD2 TRP A 52 -1.643 1.894 4.302 1.00 0.00 C ATOM 179 NE1 TRP A 52 -0.814 0.575 5.882 1.00 0.00 N ATOM 180 CE2 TRP A 52 -1.990 1.176 5.486 1.00 0.00 C ATOM 181 CE3 TRP A 52 -2.669 2.655 3.697 1.00 0.00 C ATOM 182 CZ2 TRP A 52 -3.289 1.173 6.018 1.00 0.00 C ATOM 183 CZ3 TRP A 52 -3.977 2.671 4.225 1.00 0.00 C ATOM 184 CH2 TRP A 52 -4.293 1.917 5.372 1.00 0.00 C ATOM 0 H TRP A 52 1.855 -0.010 1.915 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.689 1.341 1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.653 2.044 3.135 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.398 3.196 2.725 1.00 0.00 H new ATOM 0 HD1 TRP A 52 1.213 0.427 5.068 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.713 0.017 6.730 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.447 3.235 2.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -3.514 0.608 6.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.741 3.265 3.747 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -5.303 1.910 5.754 1.00 0.00 H new ATOM 195 N THR A 53 0.133 2.773 -0.484 1.00 0.00 N ATOM 196 CA THR A 53 0.467 3.552 -1.677 1.00 0.00 C ATOM 197 C THR A 53 -0.067 4.978 -1.488 1.00 0.00 C ATOM 198 O THR A 53 -1.062 5.191 -0.787 1.00 0.00 O ATOM 199 CB THR A 53 -0.139 2.870 -2.921 1.00 0.00 C ATOM 200 OG1 THR A 53 0.138 1.485 -2.919 1.00 0.00 O ATOM 201 CG2 THR A 53 0.434 3.412 -4.230 1.00 0.00 C ATOM 0 H THR A 53 -0.874 2.670 -0.358 1.00 0.00 H new ATOM 0 HA THR A 53 1.546 3.602 -1.824 1.00 0.00 H new ATOM 0 HB THR A 53 -1.208 3.074 -2.867 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.256 1.071 -3.715 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.029 2.896 -5.071 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.229 4.480 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.511 3.247 -4.251 1.00 0.00 H new ATOM 209 N TRP A 54 0.609 5.975 -2.061 1.00 0.00 N ATOM 210 CA TRP A 54 0.187 7.374 -1.960 1.00 0.00 C ATOM 211 C TRP A 54 -0.704 7.748 -3.145 1.00 0.00 C ATOM 212 O TRP A 54 -0.404 7.421 -4.293 1.00 0.00 O ATOM 213 CB TRP A 54 1.420 8.279 -1.871 1.00 0.00 C ATOM 214 CG TRP A 54 1.180 9.757 -1.932 1.00 0.00 C ATOM 215 CD1 TRP A 54 1.342 10.521 -3.037 1.00 0.00 C ATOM 216 CD2 TRP A 54 0.798 10.675 -0.862 1.00 0.00 C ATOM 217 NE1 TRP A 54 1.154 11.848 -2.711 1.00 0.00 N ATOM 218 CE2 TRP A 54 0.837 12.004 -1.380 1.00 0.00 C ATOM 219 CE3 TRP A 54 0.445 10.528 0.497 1.00 0.00 C ATOM 220 CZ2 TRP A 54 0.588 13.132 -0.584 1.00 0.00 C ATOM 221 CZ3 TRP A 54 0.152 11.649 1.296 1.00 0.00 C ATOM 222 CH2 TRP A 54 0.235 12.949 0.763 1.00 0.00 C ATOM 0 H TRP A 54 1.460 5.837 -2.606 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.402 7.512 -1.053 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.937 8.057 -0.938 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.097 8.011 -2.682 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.582 10.149 -4.022 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.239 12.619 -3.374 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.399 9.540 0.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.667 14.125 -1.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.139 11.510 2.327 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.028 13.804 1.389 1.00 0.00 H new ATOM 233 N THR A 55 -1.763 8.498 -2.850 1.00 0.00 N ATOM 234 CA THR A 55 -2.811 8.896 -3.786 1.00 0.00 C ATOM 235 C THR A 55 -2.884 10.414 -3.763 1.00 0.00 C ATOM 236 O THR A 55 -3.553 11.012 -2.922 1.00 0.00 O ATOM 237 CB THR A 55 -4.137 8.228 -3.398 1.00 0.00 C ATOM 238 OG1 THR A 55 -3.999 6.830 -3.500 1.00 0.00 O ATOM 239 CG2 THR A 55 -5.323 8.628 -4.274 1.00 0.00 C ATOM 0 H THR A 55 -1.921 8.861 -1.910 1.00 0.00 H new ATOM 0 HA THR A 55 -2.593 8.570 -4.803 1.00 0.00 H new ATOM 0 HB THR A 55 -4.347 8.562 -2.382 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.432 6.402 -2.732 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.219 8.111 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.478 9.705 -4.207 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.119 8.354 -5.309 1.00 0.00 H new ATOM 247 N GLU A 56 -2.109 11.044 -4.647 1.00 0.00 N ATOM 248 CA GLU A 56 -1.917 12.496 -4.658 1.00 0.00 C ATOM 249 C GLU A 56 -3.160 13.283 -5.115 1.00 0.00 C ATOM 250 O GLU A 56 -3.283 14.469 -4.830 1.00 0.00 O ATOM 251 CB GLU A 56 -0.695 12.818 -5.533 1.00 0.00 C ATOM 252 CG GLU A 56 -0.016 14.128 -5.109 1.00 0.00 C ATOM 253 CD GLU A 56 1.231 14.411 -5.945 1.00 0.00 C ATOM 254 OE1 GLU A 56 1.087 14.492 -7.185 1.00 0.00 O ATOM 255 OE2 GLU A 56 2.312 14.540 -5.328 1.00 0.00 O ATOM 0 H GLU A 56 -1.593 10.558 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.746 12.820 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.023 12.000 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.004 12.890 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.720 14.954 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.257 14.073 -4.055 1.00 0.00 H new HETATM 262 N NH2 A 57 -4.112 12.648 -5.795 1.00 0.00 N TER 265 NH2 A 57