USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 242 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 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -88:sc= 0.884 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0864 K(o=-0.086,f=-1.7!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.724 2.944 -14.134 1.00 3.25 N ATOM 2 CA ARG A 1 5.642 3.507 -15.109 1.00 5.43 C ATOM 3 C ARG A 1 5.777 2.573 -16.313 1.00 32.02 C ATOM 4 O ARG A 1 6.212 1.431 -16.171 1.00 45.45 O ATOM 5 CB ARG A 1 7.025 3.739 -14.495 1.00 35.44 C ATOM 6 CG ARG A 1 7.773 4.851 -15.232 1.00 62.30 C ATOM 7 CD ARG A 1 8.297 5.902 -14.252 1.00 2.21 C ATOM 8 NE ARG A 1 8.563 7.171 -14.966 1.00 4.25 N ATOM 9 CZ ARG A 1 9.263 8.201 -14.443 1.00 53.02 C ATOM 10 NH1 ARG A 1 9.773 8.120 -13.196 1.00 10.01 N ATOM 11 NH2 ARG A 1 9.440 9.288 -15.170 1.00 51.42 N ATOM 0 H1 ARG A 1 4.642 3.589 -13.322 1.00 3.25 H new ATOM 0 H2 ARG A 1 3.789 2.817 -14.571 1.00 3.25 H new ATOM 0 H3 ARG A 1 5.083 2.023 -13.810 1.00 3.25 H new ATOM 0 HA ARG A 1 5.235 4.465 -15.432 1.00 5.43 H new ATOM 0 HB2 ARG A 1 6.920 4.002 -13.443 1.00 35.44 H new ATOM 0 HB3 ARG A 1 7.605 2.817 -14.537 1.00 35.44 H new ATOM 0 HG2 ARG A 1 8.605 4.425 -15.793 1.00 62.30 H new ATOM 0 HG3 ARG A 1 7.109 5.323 -15.956 1.00 62.30 H new ATOM 0 HD2 ARG A 1 7.568 6.067 -13.459 1.00 2.21 H new ATOM 0 HD3 ARG A 1 9.210 5.544 -13.776 1.00 2.21 H new ATOM 0 HE ARG A 1 8.195 7.274 -15.912 1.00 4.25 H new ATOM 0 HH11 ARG A 1 9.631 7.276 -12.641 1.00 10.01 H new ATOM 0 HH12 ARG A 1 10.300 8.903 -12.809 1.00 10.01 H new ATOM 0 HH21 ARG A 1 9.051 9.341 -16.111 1.00 51.42 H new ATOM 0 HH22 ARG A 1 9.966 10.075 -14.791 1.00 51.42 H new ATOM 24 N GLY A 2 5.395 3.092 -17.470 1.00 54.41 N ATOM 25 CA GLY A 2 5.467 2.319 -18.698 1.00 31.20 C ATOM 26 C GLY A 2 4.079 2.141 -19.317 1.00 31.14 C ATOM 27 O GLY A 2 3.142 2.855 -18.963 1.00 34.52 O ATOM 0 H GLY A 2 5.034 4.039 -17.583 1.00 54.41 H new ATOM 0 HA2 GLY A 2 6.124 2.820 -19.409 1.00 31.20 H new ATOM 0 HA3 GLY A 2 5.905 1.342 -18.492 1.00 31.20 H new ATOM 31 N LYS A 3 3.991 1.185 -20.230 1.00 2.20 N ATOM 32 CA LYS A 3 2.733 0.905 -20.901 1.00 64.52 C ATOM 33 C LYS A 3 1.849 0.056 -19.985 1.00 4.34 C ATOM 34 O LYS A 3 2.116 -1.127 -19.780 1.00 4.22 O ATOM 35 CB LYS A 3 2.987 0.270 -22.270 1.00 54.44 C ATOM 36 CG LYS A 3 3.531 1.302 -23.260 1.00 53.44 C ATOM 37 CD LYS A 3 3.292 0.856 -24.704 1.00 53.22 C ATOM 38 CE LYS A 3 1.926 1.330 -25.206 1.00 2.53 C ATOM 39 NZ LYS A 3 2.087 2.256 -26.350 1.00 20.43 N ATOM 0 H LYS A 3 4.770 0.595 -20.521 1.00 2.20 H new ATOM 0 HA LYS A 3 2.192 1.831 -21.099 1.00 64.52 H new ATOM 0 HB2 LYS A 3 3.697 -0.551 -22.168 1.00 54.44 H new ATOM 0 HB3 LYS A 3 2.060 -0.156 -22.655 1.00 54.44 H new ATOM 0 HG2 LYS A 3 3.049 2.265 -23.089 1.00 53.44 H new ATOM 0 HG3 LYS A 3 4.598 1.445 -23.092 1.00 53.44 H new ATOM 0 HD2 LYS A 3 4.078 1.254 -25.346 1.00 53.22 H new ATOM 0 HD3 LYS A 3 3.349 -0.231 -24.767 1.00 53.22 H new ATOM 0 HE2 LYS A 3 1.325 0.472 -25.507 1.00 2.53 H new ATOM 0 HE3 LYS A 3 1.389 1.829 -24.400 1.00 2.53 H new ATOM 0 HZ1 LYS A 3 1.151 2.568 -26.678 1.00 20.43 H new ATOM 0 HZ2 LYS A 3 2.643 3.083 -26.052 1.00 20.43 H new ATOM 0 HZ3 LYS A 3 2.581 1.768 -27.125 1.00 20.43 H new ATOM 52 N TRP A 4 0.815 0.694 -19.458 1.00 14.34 N ATOM 53 CA TRP A 4 -0.110 0.013 -18.568 1.00 13.13 C ATOM 54 C TRP A 4 -0.694 -1.185 -19.319 1.00 65.31 C ATOM 55 O TRP A 4 -1.728 -1.068 -19.974 1.00 61.23 O ATOM 56 CB TRP A 4 -1.183 0.974 -18.051 1.00 44.43 C ATOM 57 CG TRP A 4 -1.397 0.913 -16.538 1.00 31.53 C ATOM 58 CD1 TRP A 4 -1.759 1.906 -15.714 1.00 60.04 C ATOM 59 CD2 TRP A 4 -1.248 -0.249 -15.695 1.00 24.51 C ATOM 60 NE1 TRP A 4 -1.853 1.471 -14.408 1.00 11.21 N ATOM 61 CE2 TRP A 4 -1.532 0.119 -14.396 1.00 34.21 C ATOM 62 CE3 TRP A 4 -0.884 -1.568 -16.020 1.00 22.24 C ATOM 63 CZ2 TRP A 4 -1.483 -0.773 -13.318 1.00 21.12 C ATOM 64 CZ3 TRP A 4 -0.839 -2.447 -14.931 1.00 21.40 C ATOM 65 CH2 TRP A 4 -1.123 -2.092 -13.617 1.00 64.34 C ATOM 0 H TRP A 4 0.597 1.675 -19.630 1.00 14.34 H new ATOM 0 HA TRP A 4 0.408 -0.351 -17.680 1.00 13.13 H new ATOM 0 HB2 TRP A 4 -0.908 1.992 -18.328 1.00 44.43 H new ATOM 0 HB3 TRP A 4 -2.126 0.752 -18.550 1.00 44.43 H new ATOM 0 HD1 TRP A 4 -1.953 2.920 -16.032 1.00 60.04 H new ATOM 0 HE1 TRP A 4 -2.111 2.038 -13.600 1.00 11.21 H new ATOM 0 HE3 TRP A 4 -0.657 -1.878 -17.029 1.00 22.24 H new ATOM 0 HZ2 TRP A 4 -1.711 -0.460 -12.310 1.00 21.12 H new ATOM 0 HZ3 TRP A 4 -0.564 -3.473 -15.125 1.00 21.40 H new ATOM 0 HH2 TRP A 4 -1.066 -2.830 -12.831 1.00 64.34 H new ATOM 76 N THR A 5 -0.005 -2.311 -19.199 1.00 44.41 N ATOM 77 CA THR A 5 -0.441 -3.529 -19.859 1.00 32.42 C ATOM 78 C THR A 5 -0.482 -4.690 -18.863 1.00 0.25 C ATOM 79 O THR A 5 0.508 -4.969 -18.188 1.00 41.30 O ATOM 80 CB THR A 5 0.487 -3.782 -21.048 1.00 45.01 C ATOM 81 OG1 THR A 5 1.771 -3.380 -20.578 1.00 22.54 O ATOM 82 CG2 THR A 5 0.208 -2.838 -22.220 1.00 22.42 C ATOM 0 H THR A 5 0.852 -2.405 -18.654 1.00 44.41 H new ATOM 0 HA THR A 5 -1.458 -3.430 -20.238 1.00 32.42 H new ATOM 0 HB THR A 5 0.378 -4.815 -21.379 1.00 45.01 H new ATOM 0 HG1 THR A 5 1.895 -2.422 -20.745 1.00 22.54 H new ATOM 0 HG21 THR A 5 0.894 -3.060 -23.037 1.00 22.42 H new ATOM 0 HG22 THR A 5 -0.818 -2.974 -22.561 1.00 22.42 H new ATOM 0 HG23 THR A 5 0.349 -1.806 -21.898 1.00 22.42 H new ATOM 90 N TYR A 6 -1.638 -5.335 -18.802 1.00 4.04 N ATOM 91 CA TYR A 6 -1.820 -6.459 -17.899 1.00 15.10 C ATOM 92 C TYR A 6 -2.368 -7.678 -18.645 1.00 10.43 C ATOM 93 O TYR A 6 -1.795 -8.764 -18.571 1.00 53.43 O ATOM 94 CB TYR A 6 -2.851 -6.005 -16.863 1.00 43.41 C ATOM 95 CG TYR A 6 -3.036 -6.981 -15.700 1.00 2.01 C ATOM 96 CD1 TYR A 6 -3.790 -8.124 -15.872 1.00 10.24 C ATOM 97 CD2 TYR A 6 -2.448 -6.719 -14.479 1.00 14.23 C ATOM 98 CE1 TYR A 6 -3.964 -9.043 -14.777 1.00 12.22 C ATOM 99 CE2 TYR A 6 -2.623 -7.638 -13.384 1.00 4.21 C ATOM 100 CZ TYR A 6 -3.372 -8.754 -13.587 1.00 20.41 C ATOM 101 OH TYR A 6 -3.537 -9.622 -12.553 1.00 25.41 O ATOM 0 H TYR A 6 -2.457 -5.101 -19.363 1.00 4.04 H new ATOM 0 HA TYR A 6 -0.871 -6.746 -17.447 1.00 15.10 H new ATOM 0 HB2 TYR A 6 -2.549 -5.036 -16.466 1.00 43.41 H new ATOM 0 HB3 TYR A 6 -3.811 -5.861 -17.359 1.00 43.41 H new ATOM 0 HD1 TYR A 6 -4.249 -8.329 -16.828 1.00 10.24 H new ATOM 0 HD2 TYR A 6 -1.857 -5.825 -14.345 1.00 14.23 H new ATOM 0 HE1 TYR A 6 -4.551 -9.941 -14.898 1.00 12.22 H new ATOM 0 HE2 TYR A 6 -2.169 -7.445 -12.423 1.00 4.21 H new ATOM 0 HH TYR A 6 -3.058 -9.288 -11.766 1.00 25.41 H new ATOM 111 N ASN A 7 -3.470 -7.456 -19.346 1.00 34.45 N ATOM 112 CA ASN A 7 -4.102 -8.523 -20.104 1.00 43.00 C ATOM 113 C ASN A 7 -3.518 -8.552 -21.518 1.00 22.01 C ATOM 114 O ASN A 7 -3.037 -9.589 -21.974 1.00 11.53 O ATOM 115 CB ASN A 7 -5.610 -8.298 -20.220 1.00 55.32 C ATOM 116 CG ASN A 7 -6.344 -9.616 -20.473 1.00 61.33 C ATOM 117 OD1 ASN A 7 -5.755 -10.683 -20.529 1.00 61.34 O ATOM 118 ND2 ASN A 7 -7.659 -9.484 -20.622 1.00 42.05 N ATOM 0 H ASN A 7 -3.941 -6.553 -19.405 1.00 34.45 H new ATOM 0 HA ASN A 7 -3.917 -9.462 -19.583 1.00 43.00 H new ATOM 0 HB2 ASN A 7 -5.984 -7.839 -19.305 1.00 55.32 H new ATOM 0 HB3 ASN A 7 -5.816 -7.601 -21.033 1.00 55.32 H new ATOM 0 HD21 ASN A 7 -8.238 -10.306 -20.795 1.00 42.05 H new ATOM 0 HD22 ASN A 7 -8.089 -8.561 -20.563 1.00 42.05 H new ATOM 125 N GLY A 8 -3.579 -7.402 -22.173 1.00 4.24 N ATOM 126 CA GLY A 8 -3.062 -7.282 -23.525 1.00 62.44 C ATOM 127 C GLY A 8 -3.260 -5.864 -24.065 1.00 31.41 C ATOM 128 O GLY A 8 -2.416 -5.352 -24.799 1.00 35.10 O ATOM 0 H GLY A 8 -3.979 -6.545 -21.792 1.00 4.24 H new ATOM 0 HA2 GLY A 8 -2.002 -7.534 -23.536 1.00 62.44 H new ATOM 0 HA3 GLY A 8 -3.567 -7.996 -24.176 1.00 62.44 H new ATOM 132 N ILE A 9 -4.380 -5.270 -23.680 1.00 71.40 N ATOM 133 CA ILE A 9 -4.700 -3.922 -24.116 1.00 2.41 C ATOM 134 C ILE A 9 -4.146 -2.918 -23.102 1.00 72.04 C ATOM 135 O ILE A 9 -4.157 -3.175 -21.900 1.00 21.14 O ATOM 136 CB ILE A 9 -6.203 -3.781 -24.363 1.00 12.43 C ATOM 137 CG1 ILE A 9 -6.972 -3.716 -23.041 1.00 50.54 C ATOM 138 CG2 ILE A 9 -6.717 -4.900 -25.270 1.00 51.14 C ATOM 139 CD1 ILE A 9 -7.874 -2.481 -22.992 1.00 42.41 C ATOM 0 H ILE A 9 -5.077 -5.698 -23.071 1.00 71.40 H new ATOM 0 HA ILE A 9 -4.222 -3.707 -25.072 1.00 2.41 H new ATOM 0 HB ILE A 9 -6.377 -2.839 -24.884 1.00 12.43 H new ATOM 0 HG12 ILE A 9 -7.575 -4.616 -22.922 1.00 50.54 H new ATOM 0 HG13 ILE A 9 -6.269 -3.691 -22.208 1.00 50.54 H new ATOM 0 HG21 ILE A 9 -7.788 -4.776 -25.429 1.00 51.14 H new ATOM 0 HG22 ILE A 9 -6.200 -4.858 -26.229 1.00 51.14 H new ATOM 0 HG23 ILE A 9 -6.530 -5.865 -24.799 1.00 51.14 H new ATOM 0 HD11 ILE A 9 -8.409 -2.459 -22.043 1.00 42.41 H new ATOM 0 HD12 ILE A 9 -7.265 -1.582 -23.087 1.00 42.41 H new ATOM 0 HD13 ILE A 9 -8.591 -2.522 -23.812 1.00 42.41 H new ATOM 151 N THR A 10 -3.676 -1.796 -23.626 1.00 5.42 N ATOM 152 CA THR A 10 -3.119 -0.752 -22.782 1.00 23.13 C ATOM 153 C THR A 10 -4.234 -0.019 -22.034 1.00 31.43 C ATOM 154 O THR A 10 -5.284 0.269 -22.605 1.00 52.45 O ATOM 155 CB THR A 10 -2.272 0.168 -23.664 1.00 32.14 C ATOM 156 OG1 THR A 10 -1.428 -0.724 -24.386 1.00 62.00 O ATOM 157 CG2 THR A 10 -1.300 1.026 -22.851 1.00 61.23 C ATOM 0 H THR A 10 -3.669 -1.587 -24.624 1.00 5.42 H new ATOM 0 HA THR A 10 -2.473 -1.170 -22.010 1.00 23.13 H new ATOM 0 HB THR A 10 -2.927 0.815 -24.247 1.00 32.14 H new ATOM 0 HG1 THR A 10 -0.846 -0.211 -24.984 1.00 62.00 H new ATOM 0 HG21 THR A 10 -0.723 1.660 -23.525 1.00 61.23 H new ATOM 0 HG22 THR A 10 -1.860 1.651 -22.155 1.00 61.23 H new ATOM 0 HG23 THR A 10 -0.623 0.379 -22.293 1.00 61.23 H new ATOM 165 N TYR A 11 -3.968 0.260 -20.766 1.00 53.32 N ATOM 166 CA TYR A 11 -4.937 0.954 -19.934 1.00 24.11 C ATOM 167 C TYR A 11 -4.508 2.401 -19.685 1.00 14.53 C ATOM 168 O TYR A 11 -4.844 2.983 -18.654 1.00 44.10 O ATOM 169 CB TYR A 11 -4.960 0.205 -18.600 1.00 65.41 C ATOM 170 CG TYR A 11 -5.778 -1.087 -18.626 1.00 74.53 C ATOM 171 CD1 TYR A 11 -6.295 -1.553 -19.818 1.00 55.24 C ATOM 172 CD2 TYR A 11 -6.000 -1.788 -17.458 1.00 10.21 C ATOM 173 CE1 TYR A 11 -7.066 -2.769 -19.843 1.00 52.10 C ATOM 174 CE2 TYR A 11 -6.771 -3.004 -17.483 1.00 3.14 C ATOM 175 CZ TYR A 11 -7.266 -3.434 -18.674 1.00 23.51 C ATOM 176 OH TYR A 11 -7.994 -4.583 -18.697 1.00 64.12 O ATOM 0 H TYR A 11 -3.096 0.018 -20.295 1.00 53.32 H new ATOM 0 HA TYR A 11 -5.913 0.976 -20.418 1.00 24.11 H new ATOM 0 HB2 TYR A 11 -3.936 -0.031 -18.310 1.00 65.41 H new ATOM 0 HB3 TYR A 11 -5.365 0.864 -17.832 1.00 65.41 H new ATOM 0 HD1 TYR A 11 -6.121 -1.005 -20.732 1.00 55.24 H new ATOM 0 HD2 TYR A 11 -5.595 -1.424 -16.525 1.00 10.21 H new ATOM 0 HE1 TYR A 11 -7.476 -3.144 -20.769 1.00 52.10 H new ATOM 0 HE2 TYR A 11 -6.952 -3.562 -16.576 1.00 3.14 H new ATOM 0 HH TYR A 11 -8.054 -4.950 -17.790 1.00 64.12 H new ATOM 186 N GLU A 12 -3.774 2.942 -20.646 1.00 70.52 N ATOM 187 CA GLU A 12 -3.296 4.310 -20.544 1.00 55.11 C ATOM 188 C GLU A 12 -4.371 5.202 -19.919 1.00 20.13 C ATOM 189 O GLU A 12 -4.055 6.186 -19.252 1.00 41.33 O ATOM 190 CB GLU A 12 -2.868 4.845 -21.912 1.00 71.20 C ATOM 191 CG GLU A 12 -4.059 4.916 -22.870 1.00 63.13 C ATOM 192 CD GLU A 12 -4.266 6.343 -23.382 1.00 33.11 C ATOM 193 OE1 GLU A 12 -3.813 7.303 -22.742 1.00 1.15 O ATOM 194 OE2 GLU A 12 -4.924 6.435 -24.488 1.00 14.45 O ATOM 0 H GLU A 12 -3.498 2.457 -21.500 1.00 70.52 H new ATOM 0 HA GLU A 12 -2.420 4.321 -19.896 1.00 55.11 H new ATOM 0 HB2 GLU A 12 -2.429 5.836 -21.798 1.00 71.20 H new ATOM 0 HB3 GLU A 12 -2.096 4.201 -22.333 1.00 71.20 H new ATOM 0 HG2 GLU A 12 -3.894 4.244 -23.712 1.00 63.13 H new ATOM 0 HG3 GLU A 12 -4.960 4.574 -22.361 1.00 63.13 H new ATOM 202 N GLY A 13 -5.619 4.825 -20.156 1.00 1.32 N ATOM 203 CA GLY A 13 -6.742 5.579 -19.624 1.00 62.30 C ATOM 204 C GLY A 13 -8.065 4.865 -19.909 1.00 50.55 C ATOM 205 O GLY A 13 -8.322 4.457 -21.041 1.00 35.54 O ATOM 0 H GLY A 13 -5.877 4.008 -20.709 1.00 1.32 H new ATOM 0 HA2 GLY A 13 -6.620 5.711 -18.549 1.00 62.30 H new ATOM 0 HA3 GLY A 13 -6.759 6.575 -20.067 1.00 62.30 H new ATOM 209 N GLY A 14 -8.869 4.738 -18.864 1.00 53.13 N ATOM 210 CA GLY A 14 -10.160 4.081 -18.988 1.00 45.45 C ATOM 211 C GLY A 14 -11.212 4.771 -18.117 1.00 63.25 C ATOM 212 O GLY A 14 -11.080 5.951 -17.796 1.00 32.32 O ATOM 0 H GLY A 14 -8.652 5.079 -17.927 1.00 53.13 H new ATOM 0 HA2 GLY A 14 -10.480 4.094 -20.030 1.00 45.45 H new ATOM 0 HA3 GLY A 14 -10.069 3.035 -18.695 1.00 45.45 H new ATOM 216 N GLY A 15 -12.232 4.005 -17.761 1.00 13.04 N ATOM 217 CA GLY A 15 -13.306 4.527 -16.933 1.00 55.32 C ATOM 218 C GLY A 15 -14.239 3.405 -16.473 1.00 11.23 C ATOM 219 O GLY A 15 -14.355 2.377 -17.138 1.00 24.01 O ATOM 0 H GLY A 15 -12.338 3.027 -18.031 1.00 13.04 H new ATOM 0 HA2 GLY A 15 -12.886 5.035 -16.065 1.00 55.32 H new ATOM 0 HA3 GLY A 15 -13.874 5.270 -17.493 1.00 55.32 H new ATOM 223 N GLY A 16 -14.881 3.641 -15.338 1.00 22.22 N ATOM 224 CA GLY A 16 -15.800 2.663 -14.781 1.00 23.34 C ATOM 225 C GLY A 16 -17.133 3.313 -14.408 1.00 13.43 C ATOM 226 O GLY A 16 -17.581 4.245 -15.074 1.00 75.14 O ATOM 0 H GLY A 16 -14.783 4.495 -14.789 1.00 22.22 H new ATOM 0 HA2 GLY A 16 -15.970 1.866 -15.504 1.00 23.34 H new ATOM 0 HA3 GLY A 16 -15.356 2.203 -13.898 1.00 23.34 H new ATOM 230 N GLY A 17 -17.730 2.797 -13.344 1.00 32.14 N ATOM 231 CA GLY A 17 -19.004 3.316 -12.874 1.00 45.01 C ATOM 232 C GLY A 17 -18.863 3.939 -11.484 1.00 24.24 C ATOM 233 O GLY A 17 -17.991 4.777 -11.260 1.00 44.15 O ATOM 0 H GLY A 17 -17.355 2.024 -12.793 1.00 32.14 H new ATOM 0 HA2 GLY A 17 -19.377 4.063 -13.575 1.00 45.01 H new ATOM 0 HA3 GLY A 17 -19.739 2.512 -12.843 1.00 45.01 H new ATOM 237 N GLY A 18 -19.734 3.505 -10.585 1.00 20.12 N ATOM 238 CA GLY A 18 -19.718 4.009 -9.222 1.00 43.43 C ATOM 239 C GLY A 18 -18.298 4.002 -8.652 1.00 1.41 C ATOM 240 O GLY A 18 -17.528 4.934 -8.882 1.00 33.05 O ATOM 0 H GLY A 18 -20.456 2.810 -10.774 1.00 20.12 H new ATOM 0 HA2 GLY A 18 -20.117 5.023 -9.201 1.00 43.43 H new ATOM 0 HA3 GLY A 18 -20.368 3.397 -8.596 1.00 43.43 H new ATOM 244 N GLY A 19 -17.994 2.941 -7.919 1.00 51.04 N ATOM 245 CA GLY A 19 -16.680 2.800 -7.314 1.00 54.44 C ATOM 246 C GLY A 19 -15.760 1.950 -8.193 1.00 14.22 C ATOM 247 O GLY A 19 -16.074 1.684 -9.352 1.00 55.50 O ATOM 0 H GLY A 19 -18.635 2.171 -7.730 1.00 51.04 H new ATOM 0 HA2 GLY A 19 -16.237 3.785 -7.164 1.00 54.44 H new ATOM 0 HA3 GLY A 19 -16.776 2.340 -6.330 1.00 54.44 H new ATOM 251 N GLY A 20 -14.642 1.547 -7.607 1.00 54.10 N ATOM 252 CA GLY A 20 -13.675 0.732 -8.322 1.00 4.51 C ATOM 253 C GLY A 20 -12.502 0.352 -7.416 1.00 1.43 C ATOM 254 O GLY A 20 -12.301 0.961 -6.366 1.00 13.31 O ATOM 0 H GLY A 20 -14.384 1.770 -6.645 1.00 54.10 H new ATOM 0 HA2 GLY A 20 -14.159 -0.171 -8.694 1.00 4.51 H new ATOM 0 HA3 GLY A 20 -13.306 1.277 -9.191 1.00 4.51 H new ATOM 258 N SER A 21 -11.758 -0.652 -7.854 1.00 62.15 N ATOM 259 CA SER A 21 -10.610 -1.121 -7.096 1.00 54.40 C ATOM 260 C SER A 21 -9.610 0.021 -6.902 1.00 62.44 C ATOM 261 O SER A 21 -8.742 -0.050 -6.033 1.00 74.32 O ATOM 262 CB SER A 21 -9.937 -2.305 -7.792 1.00 4.12 C ATOM 263 OG SER A 21 -9.711 -2.053 -9.176 1.00 52.02 O ATOM 0 H SER A 21 -11.928 -1.155 -8.725 1.00 62.15 H new ATOM 0 HA SER A 21 -10.959 -1.459 -6.120 1.00 54.40 H new ATOM 0 HB2 SER A 21 -8.987 -2.521 -7.303 1.00 4.12 H new ATOM 0 HB3 SER A 21 -10.561 -3.192 -7.682 1.00 4.12 H new ATOM 0 HG SER A 21 -9.278 -2.832 -9.584 1.00 52.02 H new ATOM 269 N ALA A 22 -9.764 1.046 -7.727 1.00 1.21 N ATOM 270 CA ALA A 22 -8.885 2.201 -7.657 1.00 42.04 C ATOM 271 C ALA A 22 -9.032 2.867 -6.288 1.00 20.12 C ATOM 272 O ALA A 22 -8.165 3.632 -5.869 1.00 64.11 O ATOM 273 CB ALA A 22 -9.206 3.157 -8.808 1.00 44.00 C ATOM 0 H ALA A 22 -10.484 1.101 -8.447 1.00 1.21 H new ATOM 0 HA ALA A 22 -7.844 1.898 -7.765 1.00 42.04 H new ATOM 0 HB1 ALA A 22 -8.547 4.024 -8.756 1.00 44.00 H new ATOM 0 HB2 ALA A 22 -9.057 2.645 -9.759 1.00 44.00 H new ATOM 0 HB3 ALA A 22 -10.243 3.485 -8.731 1.00 44.00 H new ATOM 279 N ALA A 23 -10.137 2.552 -5.628 1.00 23.32 N ATOM 280 CA ALA A 23 -10.409 3.110 -4.314 1.00 63.11 C ATOM 281 C ALA A 23 -10.239 2.018 -3.256 1.00 12.12 C ATOM 282 O ALA A 23 -10.754 2.140 -2.145 1.00 61.23 O ATOM 283 CB ALA A 23 -11.810 3.723 -4.300 1.00 74.10 C ATOM 0 H ALA A 23 -10.854 1.917 -5.979 1.00 23.32 H new ATOM 0 HA ALA A 23 -9.703 3.907 -4.081 1.00 63.11 H new ATOM 0 HB1 ALA A 23 -12.014 4.142 -3.314 1.00 74.10 H new ATOM 0 HB2 ALA A 23 -11.869 4.513 -5.049 1.00 74.10 H new ATOM 0 HB3 ALA A 23 -12.547 2.952 -4.527 1.00 74.10 H new ATOM 289 N GLU A 24 -9.516 0.976 -3.637 1.00 65.13 N ATOM 290 CA GLU A 24 -9.272 -0.137 -2.735 1.00 43.40 C ATOM 291 C GLU A 24 -8.118 0.193 -1.786 1.00 22.12 C ATOM 292 O GLU A 24 -8.188 -0.099 -0.593 1.00 11.31 O ATOM 293 CB GLU A 24 -8.990 -1.423 -3.514 1.00 54.11 C ATOM 294 CG GLU A 24 -7.514 -1.515 -3.906 1.00 33.11 C ATOM 295 CD GLU A 24 -7.218 -2.836 -4.619 1.00 23.03 C ATOM 296 OE1 GLU A 24 -7.974 -3.807 -4.466 1.00 11.45 O ATOM 297 OE2 GLU A 24 -6.158 -2.832 -5.355 1.00 34.52 O ATOM 0 H GLU A 24 -9.091 0.879 -4.559 1.00 65.13 H new ATOM 0 HA GLU A 24 -10.171 -0.301 -2.141 1.00 43.40 H new ATOM 0 HB2 GLU A 24 -9.263 -2.287 -2.908 1.00 54.11 H new ATOM 0 HB3 GLU A 24 -9.610 -1.453 -4.410 1.00 54.11 H new ATOM 0 HG2 GLU A 24 -7.254 -0.680 -4.557 1.00 33.11 H new ATOM 0 HG3 GLU A 24 -6.891 -1.431 -3.015 1.00 33.11 H new ATOM 305 N ALA A 25 -7.083 0.796 -2.351 1.00 45.21 N ATOM 306 CA ALA A 25 -5.915 1.168 -1.570 1.00 52.50 C ATOM 307 C ALA A 25 -6.366 1.896 -0.302 1.00 33.43 C ATOM 308 O ALA A 25 -5.681 1.854 0.719 1.00 33.41 O ATOM 309 CB ALA A 25 -4.977 2.020 -2.428 1.00 31.02 C ATOM 0 H ALA A 25 -7.028 1.037 -3.341 1.00 45.21 H new ATOM 0 HA ALA A 25 -5.361 0.281 -1.263 1.00 52.50 H new ATOM 0 HB1 ALA A 25 -4.101 2.299 -1.842 1.00 31.02 H new ATOM 0 HB2 ALA A 25 -4.663 1.448 -3.301 1.00 31.02 H new ATOM 0 HB3 ALA A 25 -5.498 2.921 -2.753 1.00 31.02 H new ATOM 315 N TYR A 26 -7.516 2.545 -0.408 1.00 11.33 N ATOM 316 CA TYR A 26 -8.067 3.281 0.718 1.00 23.42 C ATOM 317 C TYR A 26 -9.041 2.412 1.517 1.00 41.03 C ATOM 318 O TYR A 26 -9.013 2.412 2.746 1.00 20.54 O ATOM 319 CB TYR A 26 -8.831 4.462 0.117 1.00 4.11 C ATOM 320 CG TYR A 26 -10.338 4.425 0.375 1.00 31.52 C ATOM 321 CD1 TYR A 26 -10.819 4.478 1.668 1.00 45.40 C ATOM 322 CD2 TYR A 26 -11.218 4.337 -0.685 1.00 23.34 C ATOM 323 CE1 TYR A 26 -12.237 4.443 1.911 1.00 74.01 C ATOM 324 CE2 TYR A 26 -12.637 4.301 -0.442 1.00 4.33 C ATOM 325 CZ TYR A 26 -13.076 4.356 0.844 1.00 14.21 C ATOM 326 OH TYR A 26 -14.417 4.323 1.074 1.00 65.25 O ATOM 0 H TYR A 26 -8.082 2.577 -1.256 1.00 11.33 H new ATOM 0 HA TYR A 26 -7.273 3.598 1.395 1.00 23.42 H new ATOM 0 HB2 TYR A 26 -8.426 5.388 0.524 1.00 4.11 H new ATOM 0 HB3 TYR A 26 -8.658 4.484 -0.959 1.00 4.11 H new ATOM 0 HD1 TYR A 26 -10.131 4.546 2.498 1.00 45.40 H new ATOM 0 HD2 TYR A 26 -10.842 4.295 -1.697 1.00 23.34 H new ATOM 0 HE1 TYR A 26 -12.626 4.485 2.918 1.00 74.01 H new ATOM 0 HE2 TYR A 26 -13.336 4.232 -1.262 1.00 4.33 H new ATOM 0 HH TYR A 26 -14.894 4.261 0.220 1.00 65.25 H new ATOM 336 N ALA A 27 -9.879 1.693 0.785 1.00 53.22 N ATOM 337 CA ALA A 27 -10.860 0.822 1.409 1.00 13.14 C ATOM 338 C ALA A 27 -10.138 -0.315 2.135 1.00 61.15 C ATOM 339 O ALA A 27 -10.750 -1.053 2.905 1.00 74.13 O ATOM 340 CB ALA A 27 -11.837 0.310 0.349 1.00 70.10 C ATOM 0 H ALA A 27 -9.899 1.696 -0.235 1.00 53.22 H new ATOM 0 HA ALA A 27 -11.442 1.369 2.151 1.00 13.14 H new ATOM 0 HB1 ALA A 27 -12.573 -0.343 0.818 1.00 70.10 H new ATOM 0 HB2 ALA A 27 -12.346 1.155 -0.115 1.00 70.10 H new ATOM 0 HB3 ALA A 27 -11.290 -0.247 -0.412 1.00 70.10 H new ATOM 346 N LYS A 28 -8.845 -0.421 1.863 1.00 55.25 N ATOM 347 CA LYS A 28 -8.033 -1.456 2.479 1.00 11.44 C ATOM 348 C LYS A 28 -7.620 -1.005 3.882 1.00 31.31 C ATOM 349 O LYS A 28 -8.051 -1.587 4.877 1.00 52.44 O ATOM 350 CB LYS A 28 -6.852 -1.818 1.577 1.00 22.42 C ATOM 351 CG LYS A 28 -5.667 -2.325 2.402 1.00 31.03 C ATOM 352 CD LYS A 28 -6.049 -3.573 3.201 1.00 1.10 C ATOM 353 CE LYS A 28 -5.348 -4.815 2.646 1.00 11.42 C ATOM 354 NZ LYS A 28 -3.944 -4.868 3.111 1.00 61.25 N ATOM 0 H LYS A 28 -8.340 0.193 1.224 1.00 55.25 H new ATOM 0 HA LYS A 28 -8.609 -2.374 2.595 1.00 11.44 H new ATOM 0 HB2 LYS A 28 -7.156 -2.583 0.863 1.00 22.42 H new ATOM 0 HB3 LYS A 28 -6.550 -0.945 0.999 1.00 22.42 H new ATOM 0 HG2 LYS A 28 -4.831 -2.554 1.741 1.00 31.03 H new ATOM 0 HG3 LYS A 28 -5.331 -1.542 3.082 1.00 31.03 H new ATOM 0 HD2 LYS A 28 -5.779 -3.436 4.248 1.00 1.10 H new ATOM 0 HD3 LYS A 28 -7.129 -3.715 3.167 1.00 1.10 H new ATOM 0 HE2 LYS A 28 -5.878 -5.712 2.966 1.00 11.42 H new ATOM 0 HE3 LYS A 28 -5.376 -4.800 1.556 1.00 11.42 H new ATOM 0 HZ1 LYS A 28 -3.482 -5.717 2.726 1.00 61.25 H new ATOM 0 HZ2 LYS A 28 -3.438 -4.020 2.785 1.00 61.25 H new ATOM 0 HZ3 LYS A 28 -3.924 -4.905 4.150 1.00 61.25 H new ATOM 367 N ARG A 29 -6.790 0.026 3.917 1.00 5.40 N ATOM 368 CA ARG A 29 -6.314 0.561 5.181 1.00 5.43 C ATOM 369 C ARG A 29 -7.491 0.839 6.118 1.00 74.34 C ATOM 370 O ARG A 29 -7.424 0.545 7.310 1.00 23.40 O ATOM 371 CB ARG A 29 -5.524 1.855 4.970 1.00 62.43 C ATOM 372 CG ARG A 29 -4.581 1.731 3.771 1.00 4.23 C ATOM 373 CD ARG A 29 -3.425 2.729 3.878 1.00 72.51 C ATOM 374 NE ARG A 29 -3.835 4.038 3.324 1.00 4.52 N ATOM 375 CZ ARG A 29 -2.972 4.967 2.860 1.00 64.14 C ATOM 376 NH1 ARG A 29 -1.642 4.736 2.879 1.00 44.45 N ATOM 377 NH2 ARG A 29 -3.448 6.104 2.387 1.00 62.42 N ATOM 0 H ARG A 29 -6.435 0.506 3.090 1.00 5.40 H new ATOM 0 HA ARG A 29 -5.657 -0.185 5.628 1.00 5.43 H new ATOM 0 HB2 ARG A 29 -6.213 2.684 4.811 1.00 62.43 H new ATOM 0 HB3 ARG A 29 -4.949 2.085 5.867 1.00 62.43 H new ATOM 0 HG2 ARG A 29 -4.187 0.716 3.717 1.00 4.23 H new ATOM 0 HG3 ARG A 29 -5.134 1.907 2.849 1.00 4.23 H new ATOM 0 HD2 ARG A 29 -3.127 2.843 4.920 1.00 72.51 H new ATOM 0 HD3 ARG A 29 -2.557 2.352 3.338 1.00 72.51 H new ATOM 0 HE ARG A 29 -4.832 4.252 3.290 1.00 4.52 H new ATOM 0 HH11 ARG A 29 -1.283 3.855 3.246 1.00 44.45 H new ATOM 0 HH12 ARG A 29 -0.997 5.443 2.527 1.00 44.45 H new ATOM 0 HH21 ARG A 29 -4.454 6.270 2.376 1.00 62.42 H new ATOM 0 HH22 ARG A 29 -2.809 6.816 2.033 1.00 62.42 H new ATOM 390 N ILE A 30 -8.544 1.401 5.542 1.00 2.40 N ATOM 391 CA ILE A 30 -9.735 1.722 6.310 1.00 21.42 C ATOM 392 C ILE A 30 -9.979 0.622 7.346 1.00 12.51 C ATOM 393 O ILE A 30 -9.967 0.883 8.548 1.00 5.41 O ATOM 394 CB ILE A 30 -10.924 1.964 5.379 1.00 51.04 C ATOM 395 CG1 ILE A 30 -10.732 3.246 4.566 1.00 3.21 C ATOM 396 CG2 ILE A 30 -12.240 1.972 6.160 1.00 43.43 C ATOM 397 CD1 ILE A 30 -11.621 4.371 5.099 1.00 50.52 C ATOM 0 H ILE A 30 -8.597 1.642 4.552 1.00 2.40 H new ATOM 0 HA ILE A 30 -9.595 2.653 6.859 1.00 21.42 H new ATOM 0 HB ILE A 30 -10.976 1.138 4.670 1.00 51.04 H new ATOM 0 HG12 ILE A 30 -9.687 3.553 4.606 1.00 3.21 H new ATOM 0 HG13 ILE A 30 -10.968 3.056 3.519 1.00 3.21 H new ATOM 0 HG21 ILE A 30 -13.069 2.146 5.474 1.00 43.43 H new ATOM 0 HG22 ILE A 30 -12.375 1.011 6.656 1.00 43.43 H new ATOM 0 HG23 ILE A 30 -12.215 2.765 6.907 1.00 43.43 H new ATOM 0 HD11 ILE A 30 -11.465 5.271 4.504 1.00 50.52 H new ATOM 0 HD12 ILE A 30 -12.667 4.070 5.035 1.00 50.52 H new ATOM 0 HD13 ILE A 30 -11.365 4.575 6.139 1.00 50.52 H new ATOM 409 N ALA A 31 -10.196 -0.584 6.842 1.00 1.42 N ATOM 410 CA ALA A 31 -10.443 -1.723 7.709 1.00 62.41 C ATOM 411 C ALA A 31 -9.477 -1.676 8.894 1.00 4.14 C ATOM 412 O ALA A 31 -9.901 -1.726 10.048 1.00 42.21 O ATOM 413 CB ALA A 31 -10.312 -3.017 6.902 1.00 50.53 C ATOM 0 H ALA A 31 -10.206 -0.797 5.845 1.00 1.42 H new ATOM 0 HA ALA A 31 -11.457 -1.688 8.108 1.00 62.41 H new ATOM 0 HB1 ALA A 31 -10.497 -3.872 7.552 1.00 50.53 H new ATOM 0 HB2 ALA A 31 -11.039 -3.015 6.090 1.00 50.53 H new ATOM 0 HB3 ALA A 31 -9.306 -3.087 6.488 1.00 50.53 H new ATOM 419 N GLU A 32 -8.196 -1.580 8.569 1.00 22.13 N ATOM 420 CA GLU A 32 -7.166 -1.525 9.593 1.00 60.41 C ATOM 421 C GLU A 32 -7.539 -0.501 10.667 1.00 63.04 C ATOM 422 O GLU A 32 -7.627 -0.838 11.846 1.00 14.54 O ATOM 423 CB GLU A 32 -5.801 -1.206 8.981 1.00 42.33 C ATOM 424 CG GLU A 32 -5.467 -2.178 7.847 1.00 11.32 C ATOM 425 CD GLU A 32 -3.980 -2.537 7.853 1.00 22.01 C ATOM 426 OE1 GLU A 32 -3.578 -3.501 8.521 1.00 63.41 O ATOM 427 OE2 GLU A 32 -3.232 -1.774 7.130 1.00 62.40 O ATOM 0 H GLU A 32 -7.848 -1.539 7.611 1.00 22.13 H new ATOM 0 HA GLU A 32 -7.096 -2.506 10.063 1.00 60.41 H new ATOM 0 HB2 GLU A 32 -5.799 -0.184 8.601 1.00 42.33 H new ATOM 0 HB3 GLU A 32 -5.031 -1.262 9.751 1.00 42.33 H new ATOM 0 HG2 GLU A 32 -6.064 -3.084 7.952 1.00 11.32 H new ATOM 0 HG3 GLU A 32 -5.733 -1.730 6.889 1.00 11.32 H new ATOM 435 N ALA A 33 -7.747 0.729 10.219 1.00 20.52 N ATOM 436 CA ALA A 33 -8.108 1.804 11.127 1.00 11.11 C ATOM 437 C ALA A 33 -9.302 1.368 11.978 1.00 75.00 C ATOM 438 O ALA A 33 -9.242 1.409 13.206 1.00 54.11 O ATOM 439 CB ALA A 33 -8.397 3.074 10.325 1.00 43.44 C ATOM 0 H ALA A 33 -7.672 1.004 9.240 1.00 20.52 H new ATOM 0 HA ALA A 33 -7.284 2.027 11.805 1.00 11.11 H new ATOM 0 HB1 ALA A 33 -8.668 3.881 11.006 1.00 43.44 H new ATOM 0 HB2 ALA A 33 -7.509 3.358 9.761 1.00 43.44 H new ATOM 0 HB3 ALA A 33 -9.221 2.889 9.635 1.00 43.44 H new ATOM 445 N MET A 34 -10.360 0.960 11.292 1.00 42.24 N ATOM 446 CA MET A 34 -11.566 0.517 11.969 1.00 34.11 C ATOM 447 C MET A 34 -11.290 -0.717 12.830 1.00 22.13 C ATOM 448 O MET A 34 -12.121 -1.106 13.649 1.00 11.14 O ATOM 449 CB MET A 34 -12.642 0.186 10.932 1.00 23.44 C ATOM 450 CG MET A 34 -13.097 1.445 10.193 1.00 42.33 C ATOM 451 SD MET A 34 -14.202 2.394 11.225 1.00 24.21 S ATOM 452 CE MET A 34 -13.387 3.981 11.175 1.00 42.24 C ATOM 0 H MET A 34 -10.406 0.927 10.274 1.00 42.24 H new ATOM 0 HA MET A 34 -11.911 1.321 12.619 1.00 34.11 H new ATOM 0 HB2 MET A 34 -12.252 -0.539 10.217 1.00 23.44 H new ATOM 0 HB3 MET A 34 -13.496 -0.279 11.424 1.00 23.44 H new ATOM 0 HG2 MET A 34 -12.232 2.049 9.921 1.00 42.33 H new ATOM 0 HG3 MET A 34 -13.599 1.171 9.265 1.00 42.33 H new ATOM 0 HE1 MET A 34 -13.950 4.698 11.773 1.00 42.24 H new ATOM 0 HE2 MET A 34 -12.379 3.885 11.577 1.00 42.24 H new ATOM 0 HE3 MET A 34 -13.334 4.331 10.144 1.00 42.24 H new ATOM 462 N ALA A 35 -10.119 -1.299 12.616 1.00 41.34 N ATOM 463 CA ALA A 35 -9.722 -2.481 13.362 1.00 13.30 C ATOM 464 C ALA A 35 -8.919 -2.056 14.593 1.00 41.42 C ATOM 465 O ALA A 35 -7.693 -2.156 14.603 1.00 31.34 O ATOM 466 CB ALA A 35 -8.935 -3.421 12.448 1.00 63.41 C ATOM 0 H ALA A 35 -9.432 -0.974 11.936 1.00 41.34 H new ATOM 0 HA ALA A 35 -10.598 -3.026 13.713 1.00 13.30 H new ATOM 0 HB1 ALA A 35 -8.637 -4.308 13.008 1.00 63.41 H new ATOM 0 HB2 ALA A 35 -9.560 -3.717 11.605 1.00 63.41 H new ATOM 0 HB3 ALA A 35 -8.046 -2.910 12.079 1.00 63.41 H new ATOM 472 N LYS A 36 -9.642 -1.589 15.600 1.00 34.40 N ATOM 473 CA LYS A 36 -9.012 -1.149 16.833 1.00 53.40 C ATOM 474 C LYS A 36 -7.985 -2.192 17.277 1.00 40.11 C ATOM 475 O LYS A 36 -7.977 -3.314 16.773 1.00 43.22 O ATOM 476 CB LYS A 36 -10.070 -0.837 17.894 1.00 71.04 C ATOM 477 CG LYS A 36 -10.733 -2.120 18.401 1.00 44.44 C ATOM 478 CD LYS A 36 -10.841 -2.115 19.927 1.00 45.42 C ATOM 479 CE LYS A 36 -11.115 -3.522 20.462 1.00 52.54 C ATOM 480 NZ LYS A 36 -9.844 -4.228 20.740 1.00 55.44 N ATOM 0 H LYS A 36 -10.659 -1.506 15.587 1.00 34.40 H new ATOM 0 HA LYS A 36 -8.471 -0.217 16.672 1.00 53.40 H new ATOM 0 HB2 LYS A 36 -9.609 -0.308 18.728 1.00 71.04 H new ATOM 0 HB3 LYS A 36 -10.826 -0.174 17.474 1.00 71.04 H new ATOM 0 HG2 LYS A 36 -11.726 -2.218 17.963 1.00 44.44 H new ATOM 0 HG3 LYS A 36 -10.155 -2.985 18.077 1.00 44.44 H new ATOM 0 HD2 LYS A 36 -9.917 -1.731 20.359 1.00 45.42 H new ATOM 0 HD3 LYS A 36 -11.641 -1.442 20.236 1.00 45.42 H new ATOM 0 HE2 LYS A 36 -11.711 -3.461 21.373 1.00 52.54 H new ATOM 0 HE3 LYS A 36 -11.700 -4.086 19.735 1.00 52.54 H new ATOM 0 HZ1 LYS A 36 -10.048 -5.181 21.102 1.00 55.44 H new ATOM 0 HZ2 LYS A 36 -9.289 -4.302 19.863 1.00 55.44 H new ATOM 0 HZ3 LYS A 36 -9.300 -3.697 21.450 1.00 55.44 H new ATOM 493 N GLY A 37 -7.143 -1.785 18.216 1.00 54.23 N ATOM 494 CA GLY A 37 -6.114 -2.670 18.733 1.00 31.32 C ATOM 495 C GLY A 37 -5.076 -1.890 19.542 1.00 65.31 C ATOM 496 O GLY A 37 -4.496 -2.420 20.489 1.00 44.43 O ATOM 0 H GLY A 37 -7.153 -0.854 18.632 1.00 54.23 H new ATOM 0 HA2 GLY A 37 -6.570 -3.435 19.361 1.00 31.32 H new ATOM 0 HA3 GLY A 37 -5.624 -3.186 17.907 1.00 31.32 H new TER 500 GLY A 37