USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=8 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 Set 1.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 5 THR OG1 : rot -69:sc= 0.973 USER MOD Single : A 1 ARG N :NH3+ 152:sc= -0.119 (180deg=-0.626) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) 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 -179:sc= 0 (180deg=-0.000877) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -1.886 5.544 -27.617 1.00 52.21 N ATOM 2 CA ARG A 1 -0.984 5.511 -26.479 1.00 23.22 C ATOM 3 C ARG A 1 -1.566 6.316 -25.316 1.00 12.13 C ATOM 4 O ARG A 1 -1.981 7.460 -25.494 1.00 50.25 O ATOM 5 CB ARG A 1 0.388 6.079 -26.847 1.00 23.11 C ATOM 6 CG ARG A 1 0.295 7.572 -27.168 1.00 3.12 C ATOM 7 CD ARG A 1 0.613 8.419 -25.934 1.00 22.13 C ATOM 8 NE ARG A 1 2.072 8.653 -25.842 1.00 73.24 N ATOM 9 CZ ARG A 1 2.693 9.139 -24.747 1.00 41.31 C ATOM 10 NH1 ARG A 1 1.987 9.448 -23.639 1.00 34.01 N ATOM 11 NH2 ARG A 1 4.002 9.309 -24.776 1.00 32.30 N ATOM 0 H1 ARG A 1 -1.340 5.437 -28.496 1.00 52.21 H new ATOM 0 H2 ARG A 1 -2.572 4.767 -27.539 1.00 52.21 H new ATOM 0 H3 ARG A 1 -2.392 6.452 -27.633 1.00 52.21 H new ATOM 0 HA ARG A 1 -0.865 4.469 -26.181 1.00 23.22 H new ATOM 0 HB2 ARG A 1 1.083 5.923 -26.022 1.00 23.11 H new ATOM 0 HB3 ARG A 1 0.789 5.543 -27.707 1.00 23.11 H new ATOM 0 HG2 ARG A 1 0.989 7.819 -27.972 1.00 3.12 H new ATOM 0 HG3 ARG A 1 -0.706 7.809 -27.528 1.00 3.12 H new ATOM 0 HD2 ARG A 1 0.087 9.372 -25.991 1.00 22.13 H new ATOM 0 HD3 ARG A 1 0.260 7.913 -25.035 1.00 22.13 H new ATOM 0 HE ARG A 1 2.644 8.433 -26.658 1.00 73.24 H new ATOM 0 HH11 ARG A 1 0.976 9.315 -23.625 1.00 34.01 H new ATOM 0 HH12 ARG A 1 2.465 9.815 -22.816 1.00 34.01 H new ATOM 0 HH21 ARG A 1 4.528 9.074 -25.618 1.00 32.30 H new ATOM 0 HH22 ARG A 1 4.487 9.675 -23.957 1.00 32.30 H new ATOM 24 N GLY A 2 -1.579 5.687 -24.150 1.00 2.03 N ATOM 25 CA GLY A 2 -2.104 6.331 -22.958 1.00 23.15 C ATOM 26 C GLY A 2 -2.738 5.306 -22.015 1.00 24.12 C ATOM 27 O GLY A 2 -3.917 5.410 -21.681 1.00 50.05 O ATOM 0 H GLY A 2 -1.234 4.738 -24.005 1.00 2.03 H new ATOM 0 HA2 GLY A 2 -1.302 6.858 -22.442 1.00 23.15 H new ATOM 0 HA3 GLY A 2 -2.846 7.078 -23.241 1.00 23.15 H new ATOM 31 N LYS A 3 -1.926 4.339 -21.612 1.00 14.13 N ATOM 32 CA LYS A 3 -2.393 3.296 -20.714 1.00 11.21 C ATOM 33 C LYS A 3 -1.611 3.371 -19.401 1.00 45.34 C ATOM 34 O LYS A 3 -0.801 4.277 -19.208 1.00 50.01 O ATOM 35 CB LYS A 3 -2.319 1.929 -21.397 1.00 32.04 C ATOM 36 CG LYS A 3 -0.866 1.514 -21.637 1.00 53.13 C ATOM 37 CD LYS A 3 -0.788 0.318 -22.588 1.00 41.24 C ATOM 38 CE LYS A 3 -0.409 -0.958 -21.834 1.00 61.04 C ATOM 39 NZ LYS A 3 1.061 -1.129 -21.810 1.00 40.44 N ATOM 0 H LYS A 3 -0.948 4.256 -21.891 1.00 14.13 H new ATOM 0 HA LYS A 3 -3.444 3.447 -20.468 1.00 11.21 H new ATOM 0 HB2 LYS A 3 -2.817 1.182 -20.779 1.00 32.04 H new ATOM 0 HB3 LYS A 3 -2.853 1.964 -22.347 1.00 32.04 H new ATOM 0 HG2 LYS A 3 -0.309 2.352 -22.055 1.00 53.13 H new ATOM 0 HG3 LYS A 3 -0.395 1.260 -20.687 1.00 53.13 H new ATOM 0 HD2 LYS A 3 -1.749 0.180 -23.084 1.00 41.24 H new ATOM 0 HD3 LYS A 3 -0.052 0.516 -23.368 1.00 41.24 H new ATOM 0 HE2 LYS A 3 -0.792 -0.912 -20.815 1.00 61.04 H new ATOM 0 HE3 LYS A 3 -0.874 -1.821 -22.311 1.00 61.04 H new ATOM 0 HZ1 LYS A 3 1.301 -2.000 -21.294 1.00 40.44 H new ATOM 0 HZ2 LYS A 3 1.419 -1.194 -22.784 1.00 40.44 H new ATOM 0 HZ3 LYS A 3 1.498 -0.314 -21.334 1.00 40.44 H new ATOM 52 N TRP A 4 -1.880 2.407 -18.533 1.00 45.42 N ATOM 53 CA TRP A 4 -1.211 2.353 -17.244 1.00 63.24 C ATOM 54 C TRP A 4 -1.292 0.914 -16.730 1.00 10.21 C ATOM 55 O TRP A 4 -2.360 0.454 -16.329 1.00 70.13 O ATOM 56 CB TRP A 4 -1.810 3.370 -16.272 1.00 15.31 C ATOM 57 CG TRP A 4 -3.324 3.238 -16.088 1.00 44.20 C ATOM 58 CD1 TRP A 4 -4.294 3.890 -16.743 1.00 33.12 C ATOM 59 CD2 TRP A 4 -4.004 2.370 -15.157 1.00 51.31 C ATOM 60 NE1 TRP A 4 -5.546 3.507 -16.304 1.00 4.21 N ATOM 61 CE2 TRP A 4 -5.363 2.554 -15.309 1.00 73.30 C ATOM 62 CE3 TRP A 4 -3.488 1.460 -14.218 1.00 10.22 C ATOM 63 CZ2 TRP A 4 -6.319 1.862 -14.555 1.00 52.41 C ATOM 64 CZ3 TRP A 4 -4.456 0.777 -13.472 1.00 54.21 C ATOM 65 CH2 TRP A 4 -5.828 0.951 -13.613 1.00 33.40 C ATOM 0 H TRP A 4 -2.552 1.657 -18.697 1.00 45.42 H new ATOM 0 HA TRP A 4 -0.161 2.629 -17.342 1.00 63.24 H new ATOM 0 HB2 TRP A 4 -1.325 3.259 -15.302 1.00 15.31 H new ATOM 0 HB3 TRP A 4 -1.584 4.375 -16.628 1.00 15.31 H new ATOM 0 HD1 TRP A 4 -4.119 4.623 -17.517 1.00 33.12 H new ATOM 0 HE1 TRP A 4 -6.440 3.859 -16.647 1.00 4.21 H new ATOM 0 HE3 TRP A 4 -2.428 1.300 -14.083 1.00 10.22 H new ATOM 0 HZ2 TRP A 4 -7.378 2.023 -14.693 1.00 52.41 H new ATOM 0 HZ3 TRP A 4 -4.113 0.065 -12.736 1.00 54.21 H new ATOM 0 HH2 TRP A 4 -6.512 0.385 -12.998 1.00 33.40 H new ATOM 76 N THR A 5 -0.149 0.244 -16.758 1.00 14.22 N ATOM 77 CA THR A 5 -0.078 -1.133 -16.299 1.00 41.22 C ATOM 78 C THR A 5 0.272 -1.182 -14.811 1.00 2.43 C ATOM 79 O THR A 5 1.031 -0.347 -14.320 1.00 61.11 O ATOM 80 CB THR A 5 0.926 -1.874 -17.184 1.00 71.32 C ATOM 81 OG1 THR A 5 0.308 -1.896 -18.468 1.00 15.22 O ATOM 82 CG2 THR A 5 1.058 -3.352 -16.809 1.00 54.23 C ATOM 0 H THR A 5 0.735 0.629 -17.091 1.00 14.22 H new ATOM 0 HA THR A 5 -1.043 -1.631 -16.390 1.00 41.22 H new ATOM 0 HB THR A 5 1.901 -1.392 -17.109 1.00 71.32 H new ATOM 0 HG1 THR A 5 -0.471 -2.490 -18.446 1.00 15.22 H new ATOM 0 HG21 THR A 5 1.783 -3.831 -17.467 1.00 54.23 H new ATOM 0 HG22 THR A 5 1.395 -3.437 -15.776 1.00 54.23 H new ATOM 0 HG23 THR A 5 0.090 -3.842 -16.916 1.00 54.23 H new ATOM 90 N TYR A 6 -0.298 -2.168 -14.134 1.00 4.34 N ATOM 91 CA TYR A 6 -0.055 -2.336 -12.711 1.00 32.31 C ATOM 92 C TYR A 6 0.438 -3.752 -12.403 1.00 13.44 C ATOM 93 O TYR A 6 1.452 -3.927 -11.729 1.00 12.42 O ATOM 94 CB TYR A 6 -1.405 -2.118 -12.024 1.00 71.55 C ATOM 95 CG TYR A 6 -1.369 -1.090 -10.892 1.00 64.04 C ATOM 96 CD1 TYR A 6 -1.115 0.237 -11.173 1.00 44.05 C ATOM 97 CD2 TYR A 6 -1.590 -1.489 -9.590 1.00 21.32 C ATOM 98 CE1 TYR A 6 -1.080 1.205 -10.108 1.00 13.00 C ATOM 99 CE2 TYR A 6 -1.556 -0.521 -8.524 1.00 65.33 C ATOM 100 CZ TYR A 6 -1.302 0.778 -8.836 1.00 14.01 C ATOM 101 OH TYR A 6 -1.270 1.692 -7.830 1.00 10.34 O ATOM 0 H TYR A 6 -0.927 -2.858 -14.544 1.00 4.34 H new ATOM 0 HA TYR A 6 0.707 -1.637 -12.366 1.00 32.31 H new ATOM 0 HB2 TYR A 6 -2.133 -1.797 -12.769 1.00 71.55 H new ATOM 0 HB3 TYR A 6 -1.756 -3.070 -11.625 1.00 71.55 H new ATOM 0 HD1 TYR A 6 -0.942 0.549 -12.192 1.00 44.05 H new ATOM 0 HD2 TYR A 6 -1.789 -2.528 -9.370 1.00 21.32 H new ATOM 0 HE1 TYR A 6 -0.882 2.246 -10.314 1.00 13.00 H new ATOM 0 HE2 TYR A 6 -1.728 -0.820 -7.501 1.00 65.33 H new ATOM 0 HH TYR A 6 -1.447 1.245 -6.976 1.00 10.34 H new ATOM 111 N ASN A 7 -0.303 -4.726 -12.911 1.00 10.43 N ATOM 112 CA ASN A 7 0.046 -6.120 -12.698 1.00 50.02 C ATOM 113 C ASN A 7 0.609 -6.704 -13.995 1.00 40.25 C ATOM 114 O ASN A 7 1.440 -7.610 -13.963 1.00 74.53 O ATOM 115 CB ASN A 7 -1.183 -6.942 -12.304 1.00 51.54 C ATOM 116 CG ASN A 7 -0.776 -8.220 -11.570 1.00 24.31 C ATOM 117 OD1 ASN A 7 -0.521 -9.255 -12.165 1.00 1.50 O ATOM 118 ND2 ASN A 7 -0.728 -8.093 -10.247 1.00 14.41 N ATOM 0 H ASN A 7 -1.143 -4.577 -13.469 1.00 10.43 H new ATOM 0 HA ASN A 7 0.782 -6.164 -11.895 1.00 50.02 H new ATOM 0 HB2 ASN A 7 -1.835 -6.345 -11.667 1.00 51.54 H new ATOM 0 HB3 ASN A 7 -1.755 -7.197 -13.196 1.00 51.54 H new ATOM 0 HD21 ASN A 7 -0.466 -8.890 -9.667 1.00 14.41 H new ATOM 0 HD22 ASN A 7 -0.953 -7.198 -9.812 1.00 14.41 H new ATOM 125 N GLY A 8 0.134 -6.160 -15.107 1.00 23.15 N ATOM 126 CA GLY A 8 0.580 -6.616 -16.412 1.00 51.33 C ATOM 127 C GLY A 8 -0.428 -6.236 -17.499 1.00 11.00 C ATOM 128 O GLY A 8 -0.047 -5.957 -18.635 1.00 25.53 O ATOM 0 H GLY A 8 -0.555 -5.408 -15.130 1.00 23.15 H new ATOM 0 HA2 GLY A 8 1.551 -6.178 -16.642 1.00 51.33 H new ATOM 0 HA3 GLY A 8 0.714 -7.698 -16.397 1.00 51.33 H new ATOM 132 N ILE A 9 -1.695 -6.237 -17.112 1.00 53.02 N ATOM 133 CA ILE A 9 -2.761 -5.896 -18.039 1.00 60.13 C ATOM 134 C ILE A 9 -2.558 -4.464 -18.539 1.00 30.14 C ATOM 135 O ILE A 9 -1.786 -3.704 -17.957 1.00 45.21 O ATOM 136 CB ILE A 9 -4.128 -6.135 -17.395 1.00 51.22 C ATOM 137 CG1 ILE A 9 -4.491 -7.621 -17.414 1.00 73.05 C ATOM 138 CG2 ILE A 9 -5.205 -5.273 -18.058 1.00 64.13 C ATOM 139 CD1 ILE A 9 -4.480 -8.170 -18.843 1.00 14.43 C ATOM 0 H ILE A 9 -2.008 -6.469 -16.169 1.00 53.02 H new ATOM 0 HA ILE A 9 -2.728 -6.547 -18.913 1.00 60.13 H new ATOM 0 HB ILE A 9 -4.071 -5.831 -16.350 1.00 51.22 H new ATOM 0 HG12 ILE A 9 -3.784 -8.180 -16.801 1.00 73.05 H new ATOM 0 HG13 ILE A 9 -5.478 -7.764 -16.973 1.00 73.05 H new ATOM 0 HG21 ILE A 9 -6.167 -5.462 -17.581 1.00 64.13 H new ATOM 0 HG22 ILE A 9 -4.947 -4.220 -17.948 1.00 64.13 H new ATOM 0 HG23 ILE A 9 -5.270 -5.522 -19.117 1.00 64.13 H new ATOM 0 HD11 ILE A 9 -4.741 -9.228 -18.828 1.00 14.43 H new ATOM 0 HD12 ILE A 9 -5.205 -7.625 -19.448 1.00 14.43 H new ATOM 0 HD13 ILE A 9 -3.485 -8.048 -19.272 1.00 14.43 H new ATOM 151 N THR A 10 -3.265 -4.140 -19.611 1.00 12.40 N ATOM 152 CA THR A 10 -3.172 -2.812 -20.195 1.00 74.41 C ATOM 153 C THR A 10 -3.820 -1.777 -19.273 1.00 72.52 C ATOM 154 O THR A 10 -3.198 -0.775 -18.925 1.00 21.20 O ATOM 155 CB THR A 10 -3.802 -2.864 -21.588 1.00 54.04 C ATOM 156 OG1 THR A 10 -2.881 -3.632 -22.358 1.00 0.51 O ATOM 157 CG2 THR A 10 -3.815 -1.497 -22.276 1.00 61.44 C ATOM 0 H THR A 10 -3.905 -4.773 -20.091 1.00 12.40 H new ATOM 0 HA THR A 10 -2.134 -2.499 -20.303 1.00 74.41 H new ATOM 0 HB THR A 10 -4.822 -3.241 -21.511 1.00 54.04 H new ATOM 0 HG1 THR A 10 -3.213 -3.717 -23.276 1.00 0.51 H new ATOM 0 HG21 THR A 10 -4.272 -1.590 -23.261 1.00 61.44 H new ATOM 0 HG22 THR A 10 -4.389 -0.792 -21.674 1.00 61.44 H new ATOM 0 HG23 THR A 10 -2.793 -1.134 -22.383 1.00 61.44 H new ATOM 165 N TYR A 11 -5.062 -2.056 -18.904 1.00 42.11 N ATOM 166 CA TYR A 11 -5.801 -1.162 -18.029 1.00 41.53 C ATOM 167 C TYR A 11 -5.845 0.256 -18.605 1.00 32.53 C ATOM 168 O TYR A 11 -5.863 1.232 -17.857 1.00 53.45 O ATOM 169 CB TYR A 11 -5.034 -1.138 -16.706 1.00 12.25 C ATOM 170 CG TYR A 11 -5.354 -2.314 -15.780 1.00 43.33 C ATOM 171 CD1 TYR A 11 -6.106 -3.373 -16.246 1.00 20.35 C ATOM 172 CD2 TYR A 11 -4.890 -2.315 -14.481 1.00 2.04 C ATOM 173 CE1 TYR A 11 -6.407 -4.480 -15.375 1.00 23.03 C ATOM 174 CE2 TYR A 11 -5.190 -3.422 -13.610 1.00 15.32 C ATOM 175 CZ TYR A 11 -5.934 -4.450 -14.100 1.00 10.41 C ATOM 176 OH TYR A 11 -6.218 -5.495 -13.277 1.00 51.15 O ATOM 0 H TYR A 11 -5.575 -2.888 -19.195 1.00 42.11 H new ATOM 0 HA TYR A 11 -6.829 -1.504 -17.910 1.00 41.53 H new ATOM 0 HB2 TYR A 11 -3.965 -1.136 -16.918 1.00 12.25 H new ATOM 0 HB3 TYR A 11 -5.258 -0.207 -16.185 1.00 12.25 H new ATOM 0 HD1 TYR A 11 -6.469 -3.372 -17.263 1.00 20.35 H new ATOM 0 HD2 TYR A 11 -4.302 -1.486 -14.117 1.00 2.04 H new ATOM 0 HE1 TYR A 11 -6.995 -5.315 -15.726 1.00 23.03 H new ATOM 0 HE2 TYR A 11 -4.832 -3.436 -12.591 1.00 15.32 H new ATOM 0 HH TYR A 11 -5.815 -5.338 -12.398 1.00 51.15 H new ATOM 186 N GLU A 12 -5.862 0.322 -19.928 1.00 5.32 N ATOM 187 CA GLU A 12 -5.903 1.604 -20.612 1.00 34.50 C ATOM 188 C GLU A 12 -6.971 2.504 -19.987 1.00 41.23 C ATOM 189 O GLU A 12 -6.884 3.728 -20.074 1.00 43.10 O ATOM 190 CB GLU A 12 -6.152 1.417 -22.110 1.00 44.21 C ATOM 191 CG GLU A 12 -5.809 2.691 -22.885 1.00 53.23 C ATOM 192 CD GLU A 12 -7.078 3.397 -23.367 1.00 52.40 C ATOM 193 OE1 GLU A 12 -7.404 3.339 -24.562 1.00 13.40 O ATOM 194 OE2 GLU A 12 -7.736 4.023 -22.450 1.00 64.11 O ATOM 0 H GLU A 12 -5.848 -0.491 -20.544 1.00 5.32 H new ATOM 0 HA GLU A 12 -4.934 2.088 -20.495 1.00 34.50 H new ATOM 0 HB2 GLU A 12 -5.550 0.588 -22.482 1.00 44.21 H new ATOM 0 HB3 GLU A 12 -7.196 1.154 -22.279 1.00 44.21 H new ATOM 0 HG2 GLU A 12 -5.233 3.364 -22.249 1.00 53.23 H new ATOM 0 HG3 GLU A 12 -5.179 2.443 -23.740 1.00 53.23 H new ATOM 202 N GLY A 13 -7.954 1.864 -19.372 1.00 22.43 N ATOM 203 CA GLY A 13 -9.037 2.592 -18.733 1.00 21.43 C ATOM 204 C GLY A 13 -10.179 2.852 -19.718 1.00 24.35 C ATOM 205 O GLY A 13 -9.944 3.275 -20.848 1.00 65.33 O ATOM 0 H GLY A 13 -8.023 0.849 -19.302 1.00 22.43 H new ATOM 0 HA2 GLY A 13 -9.409 2.023 -17.881 1.00 21.43 H new ATOM 0 HA3 GLY A 13 -8.664 3.540 -18.345 1.00 21.43 H new ATOM 209 N GLY A 14 -11.391 2.588 -19.252 1.00 24.21 N ATOM 210 CA GLY A 14 -12.569 2.788 -20.078 1.00 15.05 C ATOM 211 C GLY A 14 -13.849 2.547 -19.274 1.00 70.41 C ATOM 212 O GLY A 14 -13.924 1.604 -18.488 1.00 22.15 O ATOM 0 H GLY A 14 -11.582 2.238 -18.313 1.00 24.21 H new ATOM 0 HA2 GLY A 14 -12.571 3.803 -20.476 1.00 15.05 H new ATOM 0 HA3 GLY A 14 -12.538 2.111 -20.932 1.00 15.05 H new ATOM 216 N GLY A 15 -14.824 3.415 -19.500 1.00 31.31 N ATOM 217 CA GLY A 15 -16.097 3.308 -18.807 1.00 22.31 C ATOM 218 C GLY A 15 -16.212 4.364 -17.706 1.00 30.11 C ATOM 219 O GLY A 15 -15.815 4.124 -16.567 1.00 34.15 O ATOM 0 H GLY A 15 -14.758 4.196 -20.153 1.00 31.31 H new ATOM 0 HA2 GLY A 15 -16.914 3.429 -19.519 1.00 22.31 H new ATOM 0 HA3 GLY A 15 -16.197 2.313 -18.373 1.00 22.31 H new ATOM 223 N GLY A 16 -16.757 5.511 -18.085 1.00 21.42 N ATOM 224 CA GLY A 16 -16.929 6.604 -17.144 1.00 14.32 C ATOM 225 C GLY A 16 -15.613 7.353 -16.926 1.00 22.33 C ATOM 226 O GLY A 16 -15.301 8.294 -17.654 1.00 74.41 O ATOM 0 H GLY A 16 -17.085 5.707 -19.031 1.00 21.42 H new ATOM 0 HA2 GLY A 16 -17.686 7.294 -17.517 1.00 14.32 H new ATOM 0 HA3 GLY A 16 -17.292 6.216 -16.193 1.00 14.32 H new ATOM 230 N GLY A 17 -14.875 6.906 -15.920 1.00 11.54 N ATOM 231 CA GLY A 17 -13.599 7.522 -15.596 1.00 53.24 C ATOM 232 C GLY A 17 -13.301 7.413 -14.100 1.00 32.23 C ATOM 233 O GLY A 17 -14.219 7.317 -13.286 1.00 4.52 O ATOM 0 H GLY A 17 -15.136 6.125 -15.319 1.00 11.54 H new ATOM 0 HA2 GLY A 17 -12.804 7.040 -16.165 1.00 53.24 H new ATOM 0 HA3 GLY A 17 -13.612 8.571 -15.892 1.00 53.24 H new ATOM 237 N GLY A 18 -12.015 7.430 -13.782 1.00 51.31 N ATOM 238 CA GLY A 18 -11.585 7.334 -12.398 1.00 4.34 C ATOM 239 C GLY A 18 -10.060 7.403 -12.291 1.00 42.14 C ATOM 240 O GLY A 18 -9.353 6.659 -12.969 1.00 24.10 O ATOM 0 H GLY A 18 -11.257 7.509 -14.460 1.00 51.31 H new ATOM 0 HA2 GLY A 18 -12.031 8.142 -11.818 1.00 4.34 H new ATOM 0 HA3 GLY A 18 -11.941 6.398 -11.967 1.00 4.34 H new ATOM 244 N GLY A 19 -9.598 8.303 -11.436 1.00 12.22 N ATOM 245 CA GLY A 19 -8.170 8.479 -11.232 1.00 72.22 C ATOM 246 C GLY A 19 -7.457 7.127 -11.155 1.00 40.31 C ATOM 247 O GLY A 19 -6.574 6.841 -11.962 1.00 23.44 O ATOM 0 H GLY A 19 -10.188 8.919 -10.876 1.00 12.22 H new ATOM 0 HA2 GLY A 19 -7.752 9.069 -12.048 1.00 72.22 H new ATOM 0 HA3 GLY A 19 -7.996 9.039 -10.313 1.00 72.22 H new ATOM 251 N GLY A 20 -7.867 6.333 -10.177 1.00 71.13 N ATOM 252 CA GLY A 20 -7.278 5.018 -9.984 1.00 54.53 C ATOM 253 C GLY A 20 -7.932 4.292 -8.807 1.00 11.42 C ATOM 254 O GLY A 20 -8.619 3.290 -8.995 1.00 74.13 O ATOM 0 H GLY A 20 -8.600 6.574 -9.510 1.00 71.13 H new ATOM 0 HA2 GLY A 20 -7.396 4.426 -10.892 1.00 54.53 H new ATOM 0 HA3 GLY A 20 -6.207 5.118 -9.805 1.00 54.53 H new ATOM 258 N SER A 21 -7.695 4.827 -7.618 1.00 23.11 N ATOM 259 CA SER A 21 -8.252 4.242 -6.410 1.00 2.41 C ATOM 260 C SER A 21 -9.412 5.100 -5.901 1.00 20.04 C ATOM 261 O SER A 21 -9.204 6.043 -5.138 1.00 61.33 O ATOM 262 CB SER A 21 -7.183 4.097 -5.325 1.00 0.01 C ATOM 263 OG SER A 21 -6.460 2.875 -5.448 1.00 10.11 O ATOM 0 H SER A 21 -7.125 5.659 -7.465 1.00 23.11 H new ATOM 0 HA SER A 21 -8.623 3.246 -6.651 1.00 2.41 H new ATOM 0 HB2 SER A 21 -6.490 4.936 -5.385 1.00 0.01 H new ATOM 0 HB3 SER A 21 -7.654 4.142 -4.343 1.00 0.01 H new ATOM 0 HG SER A 21 -5.786 2.821 -4.739 1.00 10.11 H new ATOM 269 N ALA A 22 -10.609 4.742 -6.342 1.00 43.24 N ATOM 270 CA ALA A 22 -11.802 5.467 -5.941 1.00 13.21 C ATOM 271 C ALA A 22 -12.162 5.091 -4.502 1.00 52.31 C ATOM 272 O ALA A 22 -12.995 4.215 -4.275 1.00 71.05 O ATOM 273 CB ALA A 22 -12.936 5.167 -6.923 1.00 15.31 C ATOM 0 H ALA A 22 -10.778 3.959 -6.973 1.00 43.24 H new ATOM 0 HA ALA A 22 -11.625 6.542 -5.967 1.00 13.21 H new ATOM 0 HB1 ALA A 22 -13.831 5.711 -6.622 1.00 15.31 H new ATOM 0 HB2 ALA A 22 -12.642 5.479 -7.925 1.00 15.31 H new ATOM 0 HB3 ALA A 22 -13.144 4.097 -6.922 1.00 15.31 H new ATOM 279 N ALA A 23 -11.517 5.773 -3.567 1.00 64.21 N ATOM 280 CA ALA A 23 -11.758 5.521 -2.157 1.00 12.55 C ATOM 281 C ALA A 23 -11.168 4.162 -1.777 1.00 1.02 C ATOM 282 O ALA A 23 -11.615 3.533 -0.819 1.00 60.21 O ATOM 283 CB ALA A 23 -13.259 5.605 -1.873 1.00 13.13 C ATOM 0 H ALA A 23 -10.828 6.500 -3.759 1.00 64.21 H new ATOM 0 HA ALA A 23 -11.267 6.276 -1.543 1.00 12.55 H new ATOM 0 HB1 ALA A 23 -13.440 5.416 -0.815 1.00 13.13 H new ATOM 0 HB2 ALA A 23 -13.623 6.599 -2.132 1.00 13.13 H new ATOM 0 HB3 ALA A 23 -13.785 4.860 -2.470 1.00 13.13 H new ATOM 289 N GLU A 24 -10.172 3.749 -2.547 1.00 74.13 N ATOM 290 CA GLU A 24 -9.516 2.476 -2.304 1.00 32.43 C ATOM 291 C GLU A 24 -8.164 2.697 -1.624 1.00 25.02 C ATOM 292 O GLU A 24 -7.651 1.806 -0.948 1.00 14.12 O ATOM 293 CB GLU A 24 -9.354 1.685 -3.603 1.00 44.05 C ATOM 294 CG GLU A 24 -10.683 1.064 -4.037 1.00 41.15 C ATOM 295 CD GLU A 24 -10.528 -0.435 -4.300 1.00 62.30 C ATOM 296 OE1 GLU A 24 -11.106 -1.255 -3.571 1.00 62.33 O ATOM 297 OE2 GLU A 24 -9.776 -0.738 -5.303 1.00 62.24 O ATOM 0 H GLU A 24 -9.803 4.274 -3.340 1.00 74.13 H new ATOM 0 HA GLU A 24 -10.145 1.888 -1.636 1.00 32.43 H new ATOM 0 HB2 GLU A 24 -8.982 2.342 -4.389 1.00 44.05 H new ATOM 0 HB3 GLU A 24 -8.610 0.900 -3.465 1.00 44.05 H new ATOM 0 HG2 GLU A 24 -11.434 1.225 -3.263 1.00 41.15 H new ATOM 0 HG3 GLU A 24 -11.043 1.560 -4.939 1.00 41.15 H new ATOM 305 N ALA A 25 -7.623 3.890 -1.827 1.00 34.34 N ATOM 306 CA ALA A 25 -6.340 4.239 -1.242 1.00 11.44 C ATOM 307 C ALA A 25 -6.464 4.246 0.283 1.00 35.34 C ATOM 308 O ALA A 25 -5.499 3.959 0.990 1.00 71.03 O ATOM 309 CB ALA A 25 -5.878 5.589 -1.794 1.00 64.15 C ATOM 0 H ALA A 25 -8.050 4.627 -2.388 1.00 34.34 H new ATOM 0 HA ALA A 25 -5.584 3.501 -1.508 1.00 11.44 H new ATOM 0 HB1 ALA A 25 -4.915 5.851 -1.355 1.00 64.15 H new ATOM 0 HB2 ALA A 25 -5.777 5.524 -2.877 1.00 64.15 H new ATOM 0 HB3 ALA A 25 -6.612 6.355 -1.543 1.00 64.15 H new ATOM 315 N TYR A 26 -7.661 4.576 0.746 1.00 32.22 N ATOM 316 CA TYR A 26 -7.924 4.623 2.174 1.00 14.34 C ATOM 317 C TYR A 26 -8.287 3.237 2.712 1.00 45.24 C ATOM 318 O TYR A 26 -7.794 2.826 3.761 1.00 63.12 O ATOM 319 CB TYR A 26 -9.125 5.555 2.351 1.00 3.33 C ATOM 320 CG TYR A 26 -10.449 4.826 2.586 1.00 52.41 C ATOM 321 CD1 TYR A 26 -10.617 4.044 3.710 1.00 4.13 C ATOM 322 CD2 TYR A 26 -11.477 4.951 1.673 1.00 42.21 C ATOM 323 CE1 TYR A 26 -11.863 3.358 3.931 1.00 33.01 C ATOM 324 CE2 TYR A 26 -12.723 4.265 1.894 1.00 54.24 C ATOM 325 CZ TYR A 26 -12.855 3.502 3.012 1.00 51.42 C ATOM 326 OH TYR A 26 -14.033 2.854 3.220 1.00 5.43 O ATOM 0 H TYR A 26 -8.459 4.813 0.157 1.00 32.22 H new ATOM 0 HA TYR A 26 -7.043 4.968 2.715 1.00 14.34 H new ATOM 0 HB2 TYR A 26 -8.934 6.221 3.193 1.00 3.33 H new ATOM 0 HB3 TYR A 26 -9.219 6.182 1.464 1.00 3.33 H new ATOM 0 HD1 TYR A 26 -9.813 3.946 4.425 1.00 4.13 H new ATOM 0 HD2 TYR A 26 -11.346 5.563 0.793 1.00 42.21 H new ATOM 0 HE1 TYR A 26 -12.007 2.743 4.807 1.00 33.01 H new ATOM 0 HE2 TYR A 26 -13.535 4.354 1.188 1.00 54.24 H new ATOM 0 HH TYR A 26 -14.649 3.050 2.483 1.00 5.43 H new ATOM 336 N ALA A 27 -9.145 2.555 1.968 1.00 40.22 N ATOM 337 CA ALA A 27 -9.579 1.224 2.356 1.00 21.11 C ATOM 338 C ALA A 27 -8.407 0.250 2.219 1.00 60.12 C ATOM 339 O ALA A 27 -8.492 -0.895 2.660 1.00 22.10 O ATOM 340 CB ALA A 27 -10.783 0.811 1.507 1.00 43.12 C ATOM 0 H ALA A 27 -9.551 2.899 1.098 1.00 40.22 H new ATOM 0 HA ALA A 27 -9.897 1.213 3.399 1.00 21.11 H new ATOM 0 HB1 ALA A 27 -11.108 -0.188 1.798 1.00 43.12 H new ATOM 0 HB2 ALA A 27 -11.598 1.518 1.663 1.00 43.12 H new ATOM 0 HB3 ALA A 27 -10.502 0.808 0.454 1.00 43.12 H new ATOM 346 N LYS A 28 -7.340 0.741 1.605 1.00 31.52 N ATOM 347 CA LYS A 28 -6.153 -0.072 1.404 1.00 25.22 C ATOM 348 C LYS A 28 -5.548 -0.429 2.764 1.00 41.04 C ATOM 349 O LYS A 28 -4.929 -1.481 2.915 1.00 73.31 O ATOM 350 CB LYS A 28 -5.174 0.632 0.462 1.00 54.12 C ATOM 351 CG LYS A 28 -3.726 0.301 0.828 1.00 50.53 C ATOM 352 CD LYS A 28 -2.750 0.946 -0.159 1.00 14.43 C ATOM 353 CE LYS A 28 -2.184 2.252 0.404 1.00 32.42 C ATOM 354 NZ LYS A 28 -0.726 2.330 0.164 1.00 50.33 N ATOM 0 H LYS A 28 -7.273 1.691 1.240 1.00 31.52 H new ATOM 0 HA LYS A 28 -6.413 -1.010 0.914 1.00 25.22 H new ATOM 0 HB2 LYS A 28 -5.371 0.329 -0.566 1.00 54.12 H new ATOM 0 HB3 LYS A 28 -5.328 1.710 0.511 1.00 54.12 H new ATOM 0 HG2 LYS A 28 -3.513 0.652 1.838 1.00 50.53 H new ATOM 0 HG3 LYS A 28 -3.586 -0.780 0.830 1.00 50.53 H new ATOM 0 HD2 LYS A 28 -1.935 0.255 -0.374 1.00 14.43 H new ATOM 0 HD3 LYS A 28 -3.259 1.143 -1.103 1.00 14.43 H new ATOM 0 HE2 LYS A 28 -2.681 3.102 -0.063 1.00 32.42 H new ATOM 0 HE3 LYS A 28 -2.386 2.312 1.473 1.00 32.42 H new ATOM 0 HZ1 LYS A 28 -0.358 3.222 0.552 1.00 50.33 H new ATOM 0 HZ2 LYS A 28 -0.254 1.529 0.630 1.00 50.33 H new ATOM 0 HZ3 LYS A 28 -0.540 2.294 -0.859 1.00 50.33 H new ATOM 367 N ARG A 29 -5.748 0.468 3.718 1.00 21.11 N ATOM 368 CA ARG A 29 -5.230 0.261 5.060 1.00 72.11 C ATOM 369 C ARG A 29 -6.295 -0.389 5.945 1.00 31.24 C ATOM 370 O ARG A 29 -6.037 -1.405 6.588 1.00 21.45 O ATOM 371 CB ARG A 29 -4.790 1.584 5.691 1.00 74.35 C ATOM 372 CG ARG A 29 -4.330 2.575 4.620 1.00 11.20 C ATOM 373 CD ARG A 29 -5.363 3.686 4.421 1.00 11.45 C ATOM 374 NE ARG A 29 -4.745 5.005 4.686 1.00 72.13 N ATOM 375 CZ ARG A 29 -4.396 5.445 5.913 1.00 23.44 C ATOM 376 NH1 ARG A 29 -4.601 4.673 7.002 1.00 70.23 N ATOM 377 NH2 ARG A 29 -3.850 6.641 6.034 1.00 74.35 N ATOM 0 H ARG A 29 -6.262 1.340 3.589 1.00 21.11 H new ATOM 0 HA ARG A 29 -4.365 -0.397 4.984 1.00 72.11 H new ATOM 0 HB2 ARG A 29 -5.616 2.013 6.258 1.00 74.35 H new ATOM 0 HB3 ARG A 29 -3.979 1.403 6.396 1.00 74.35 H new ATOM 0 HG2 ARG A 29 -3.374 3.010 4.909 1.00 11.20 H new ATOM 0 HG3 ARG A 29 -4.170 2.050 3.678 1.00 11.20 H new ATOM 0 HD2 ARG A 29 -5.751 3.655 3.403 1.00 11.45 H new ATOM 0 HD3 ARG A 29 -6.210 3.531 5.090 1.00 11.45 H new ATOM 0 HE ARG A 29 -4.572 5.620 3.891 1.00 72.13 H new ATOM 0 HH11 ARG A 29 -5.023 3.750 6.901 1.00 70.23 H new ATOM 0 HH12 ARG A 29 -4.334 5.013 7.926 1.00 70.23 H new ATOM 0 HH21 ARG A 29 -3.698 7.218 5.207 1.00 74.35 H new ATOM 0 HH22 ARG A 29 -3.581 6.988 6.955 1.00 74.35 H new ATOM 390 N ILE A 30 -7.470 0.224 5.950 1.00 23.32 N ATOM 391 CA ILE A 30 -8.575 -0.283 6.746 1.00 1.32 C ATOM 392 C ILE A 30 -8.586 -1.811 6.682 1.00 64.30 C ATOM 393 O ILE A 30 -8.969 -2.474 7.645 1.00 44.02 O ATOM 394 CB ILE A 30 -9.891 0.361 6.306 1.00 73.42 C ATOM 395 CG1 ILE A 30 -9.730 1.871 6.125 1.00 1.43 C ATOM 396 CG2 ILE A 30 -11.022 0.017 7.278 1.00 23.00 C ATOM 397 CD1 ILE A 30 -8.803 2.455 7.194 1.00 54.33 C ATOM 0 H ILE A 30 -7.681 1.067 5.416 1.00 23.32 H new ATOM 0 HA ILE A 30 -8.447 -0.009 7.793 1.00 1.32 H new ATOM 0 HB ILE A 30 -10.165 -0.051 5.335 1.00 73.42 H new ATOM 0 HG12 ILE A 30 -9.327 2.081 5.134 1.00 1.43 H new ATOM 0 HG13 ILE A 30 -10.706 2.354 6.181 1.00 1.43 H new ATOM 0 HG21 ILE A 30 -11.946 0.487 6.942 1.00 23.00 H new ATOM 0 HG22 ILE A 30 -11.156 -1.064 7.312 1.00 23.00 H new ATOM 0 HG23 ILE A 30 -10.770 0.383 8.273 1.00 23.00 H new ATOM 0 HD11 ILE A 30 -8.705 3.530 7.043 1.00 54.33 H new ATOM 0 HD12 ILE A 30 -9.221 2.264 8.182 1.00 54.33 H new ATOM 0 HD13 ILE A 30 -7.821 1.987 7.119 1.00 54.33 H new ATOM 409 N ALA A 31 -8.160 -2.327 5.538 1.00 54.42 N ATOM 410 CA ALA A 31 -8.116 -3.765 5.335 1.00 12.23 C ATOM 411 C ALA A 31 -7.447 -4.425 6.542 1.00 31.14 C ATOM 412 O ALA A 31 -8.006 -5.342 7.142 1.00 15.45 O ATOM 413 CB ALA A 31 -7.390 -4.074 4.025 1.00 41.14 C ATOM 0 H ALA A 31 -7.842 -1.774 4.742 1.00 54.42 H new ATOM 0 HA ALA A 31 -9.124 -4.172 5.253 1.00 12.23 H new ATOM 0 HB1 ALA A 31 -7.357 -5.153 3.873 1.00 41.14 H new ATOM 0 HB2 ALA A 31 -7.921 -3.607 3.196 1.00 41.14 H new ATOM 0 HB3 ALA A 31 -6.374 -3.683 4.071 1.00 41.14 H new ATOM 419 N GLU A 32 -6.259 -3.934 6.862 1.00 11.54 N ATOM 420 CA GLU A 32 -5.508 -4.464 7.987 1.00 23.42 C ATOM 421 C GLU A 32 -6.400 -4.555 9.227 1.00 53.44 C ATOM 422 O GLU A 32 -6.454 -5.593 9.883 1.00 71.51 O ATOM 423 CB GLU A 32 -4.266 -3.616 8.266 1.00 2.25 C ATOM 424 CG GLU A 32 -4.603 -2.434 9.177 1.00 10.53 C ATOM 425 CD GLU A 32 -3.358 -1.592 9.467 1.00 55.25 C ATOM 426 OE1 GLU A 32 -2.843 -0.917 8.563 1.00 65.31 O ATOM 427 OE2 GLU A 32 -2.928 -1.654 10.681 1.00 14.01 O ATOM 0 H GLU A 32 -5.798 -3.174 6.361 1.00 11.54 H new ATOM 0 HA GLU A 32 -5.172 -5.469 7.732 1.00 23.42 H new ATOM 0 HB2 GLU A 32 -3.498 -4.232 8.733 1.00 2.25 H new ATOM 0 HB3 GLU A 32 -3.853 -3.249 7.326 1.00 2.25 H new ATOM 0 HG2 GLU A 32 -5.365 -1.813 8.706 1.00 10.53 H new ATOM 0 HG3 GLU A 32 -5.025 -2.800 10.113 1.00 10.53 H new ATOM 435 N ALA A 33 -7.079 -3.452 9.510 1.00 64.24 N ATOM 436 CA ALA A 33 -7.966 -3.394 10.659 1.00 51.24 C ATOM 437 C ALA A 33 -8.906 -4.601 10.634 1.00 42.13 C ATOM 438 O ALA A 33 -8.884 -5.428 11.544 1.00 51.02 O ATOM 439 CB ALA A 33 -8.724 -2.065 10.652 1.00 42.45 C ATOM 0 H ALA A 33 -7.032 -2.592 8.963 1.00 64.24 H new ATOM 0 HA ALA A 33 -7.396 -3.440 11.587 1.00 51.24 H new ATOM 0 HB1 ALA A 33 -9.390 -2.021 11.514 1.00 42.45 H new ATOM 0 HB2 ALA A 33 -8.013 -1.240 10.700 1.00 42.45 H new ATOM 0 HB3 ALA A 33 -9.310 -1.985 9.737 1.00 42.45 H new ATOM 445 N MET A 34 -9.709 -4.664 9.582 1.00 41.43 N ATOM 446 CA MET A 34 -10.655 -5.756 9.426 1.00 4.32 C ATOM 447 C MET A 34 -9.966 -7.002 8.866 1.00 40.34 C ATOM 448 O MET A 34 -10.356 -7.512 7.817 1.00 72.13 O ATOM 449 CB MET A 34 -11.780 -5.326 8.483 1.00 70.21 C ATOM 450 CG MET A 34 -11.216 -4.682 7.215 1.00 55.13 C ATOM 451 SD MET A 34 -12.193 -5.162 5.800 1.00 32.41 S ATOM 452 CE MET A 34 -12.227 -3.617 4.907 1.00 22.03 C ATOM 0 H MET A 34 -9.724 -3.976 8.829 1.00 41.43 H new ATOM 0 HA MET A 34 -11.065 -6.000 10.406 1.00 4.32 H new ATOM 0 HB2 MET A 34 -12.387 -6.191 8.217 1.00 70.21 H new ATOM 0 HB3 MET A 34 -12.437 -4.621 8.992 1.00 70.21 H new ATOM 0 HG2 MET A 34 -11.217 -3.597 7.317 1.00 55.13 H new ATOM 0 HG3 MET A 34 -10.179 -4.988 7.072 1.00 55.13 H new ATOM 0 HE1 MET A 34 -12.816 -3.735 3.998 1.00 22.03 H new ATOM 0 HE2 MET A 34 -12.675 -2.845 5.532 1.00 22.03 H new ATOM 0 HE3 MET A 34 -11.210 -3.326 4.645 1.00 22.03 H new ATOM 462 N ALA A 35 -8.953 -7.455 9.590 1.00 75.53 N ATOM 463 CA ALA A 35 -8.207 -8.632 9.178 1.00 61.02 C ATOM 464 C ALA A 35 -8.482 -9.774 10.158 1.00 72.33 C ATOM 465 O ALA A 35 -7.588 -10.201 10.886 1.00 22.13 O ATOM 466 CB ALA A 35 -6.719 -8.287 9.088 1.00 50.03 C ATOM 0 H ALA A 35 -8.631 -7.028 10.459 1.00 75.53 H new ATOM 0 HA ALA A 35 -8.526 -8.962 8.189 1.00 61.02 H new ATOM 0 HB1 ALA A 35 -6.159 -9.170 8.779 1.00 50.03 H new ATOM 0 HB2 ALA A 35 -6.574 -7.491 8.358 1.00 50.03 H new ATOM 0 HB3 ALA A 35 -6.363 -7.954 10.063 1.00 50.03 H new ATOM 472 N LYS A 36 -9.724 -10.237 10.144 1.00 44.11 N ATOM 473 CA LYS A 36 -10.128 -11.321 11.022 1.00 30.53 C ATOM 474 C LYS A 36 -11.263 -12.109 10.364 1.00 10.33 C ATOM 475 O LYS A 36 -11.748 -11.732 9.298 1.00 25.42 O ATOM 476 CB LYS A 36 -10.477 -10.784 12.412 1.00 52.14 C ATOM 477 CG LYS A 36 -9.377 -11.118 13.421 1.00 0.41 C ATOM 478 CD LYS A 36 -8.389 -9.957 13.559 1.00 71.41 C ATOM 479 CE LYS A 36 -8.523 -9.283 14.926 1.00 41.14 C ATOM 480 NZ LYS A 36 -7.191 -8.910 15.452 1.00 21.23 N ATOM 0 H LYS A 36 -10.463 -9.881 9.538 1.00 44.11 H new ATOM 0 HA LYS A 36 -9.302 -12.016 11.173 1.00 30.53 H new ATOM 0 HB2 LYS A 36 -10.616 -9.704 12.364 1.00 52.14 H new ATOM 0 HB3 LYS A 36 -11.423 -11.212 12.744 1.00 52.14 H new ATOM 0 HG2 LYS A 36 -9.823 -11.338 14.391 1.00 0.41 H new ATOM 0 HG3 LYS A 36 -8.847 -12.016 13.103 1.00 0.41 H new ATOM 0 HD2 LYS A 36 -7.371 -10.324 13.429 1.00 71.41 H new ATOM 0 HD3 LYS A 36 -8.568 -9.226 12.770 1.00 71.41 H new ATOM 0 HE2 LYS A 36 -9.149 -8.395 14.840 1.00 41.14 H new ATOM 0 HE3 LYS A 36 -9.020 -9.957 15.623 1.00 41.14 H new ATOM 0 HZ1 LYS A 36 -7.300 -8.454 16.380 1.00 21.23 H new ATOM 0 HZ2 LYS A 36 -6.606 -9.764 15.552 1.00 21.23 H new ATOM 0 HZ3 LYS A 36 -6.730 -8.250 14.794 1.00 21.23 H new ATOM 493 N GLY A 37 -11.654 -13.187 11.027 1.00 32.03 N ATOM 494 CA GLY A 37 -12.723 -14.031 10.520 1.00 12.52 C ATOM 495 C GLY A 37 -14.059 -13.676 11.176 1.00 54.34 C ATOM 496 O GLY A 37 -14.546 -14.407 12.036 1.00 34.31 O ATOM 0 H GLY A 37 -11.250 -13.496 11.911 1.00 32.03 H new ATOM 0 HA2 GLY A 37 -12.802 -13.914 9.439 1.00 12.52 H new ATOM 0 HA3 GLY A 37 -12.487 -15.078 10.711 1.00 12.52 H new TER 500 GLY A 37