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 Set 1.1: A 5 THR OG1 : rot 180:sc= 0.692 USER MOD Set 1.2: A 10 THR OG1 : rot -69:sc= 1.21 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 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.072) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 60:sc= 0.958 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 4.454 4.095 -14.348 1.00 43.03 N ATOM 2 CA ARG A 1 5.402 4.228 -15.441 1.00 43.43 C ATOM 3 C ARG A 1 5.803 2.849 -15.967 1.00 64.34 C ATOM 4 O ARG A 1 6.825 2.298 -15.559 1.00 75.33 O ATOM 5 CB ARG A 1 6.657 4.980 -14.993 1.00 42.33 C ATOM 6 CG ARG A 1 7.284 5.745 -16.161 1.00 25.32 C ATOM 7 CD ARG A 1 6.523 7.042 -16.439 1.00 53.21 C ATOM 8 NE ARG A 1 5.869 6.971 -17.765 1.00 31.21 N ATOM 9 CZ ARG A 1 6.525 7.085 -18.939 1.00 53.33 C ATOM 10 NH1 ARG A 1 7.861 7.278 -18.962 1.00 73.01 N ATOM 11 NH2 ARG A 1 5.840 7.006 -20.065 1.00 51.21 N ATOM 0 H1 ARG A 1 4.190 5.039 -14.000 1.00 43.03 H new ATOM 0 H2 ARG A 1 3.604 3.600 -14.684 1.00 43.03 H new ATOM 0 H3 ARG A 1 4.889 3.551 -13.576 1.00 43.03 H new ATOM 0 HA ARG A 1 4.916 4.796 -16.234 1.00 43.43 H new ATOM 0 HB2 ARG A 1 6.403 5.675 -14.193 1.00 42.33 H new ATOM 0 HB3 ARG A 1 7.381 4.275 -14.585 1.00 42.33 H new ATOM 0 HG2 ARG A 1 8.326 5.972 -15.934 1.00 25.32 H new ATOM 0 HG3 ARG A 1 7.281 5.119 -17.053 1.00 25.32 H new ATOM 0 HD2 ARG A 1 5.775 7.208 -15.664 1.00 53.21 H new ATOM 0 HD3 ARG A 1 7.208 7.889 -16.407 1.00 53.21 H new ATOM 0 HE ARG A 1 4.860 6.827 -17.793 1.00 31.21 H new ATOM 0 HH11 ARG A 1 8.383 7.339 -18.088 1.00 73.01 H new ATOM 0 HH12 ARG A 1 8.349 7.363 -19.854 1.00 73.01 H new ATOM 0 HH21 ARG A 1 4.831 6.861 -20.039 1.00 51.21 H new ATOM 0 HH22 ARG A 1 6.320 7.090 -20.961 1.00 51.21 H new ATOM 24 N GLY A 2 4.979 2.330 -16.865 1.00 54.44 N ATOM 25 CA GLY A 2 5.234 1.026 -17.452 1.00 25.35 C ATOM 26 C GLY A 2 3.925 0.288 -17.741 1.00 45.31 C ATOM 27 O GLY A 2 3.027 0.258 -16.902 1.00 11.54 O ATOM 0 H GLY A 2 4.133 2.790 -17.201 1.00 54.44 H new ATOM 0 HA2 GLY A 2 5.801 1.144 -18.376 1.00 25.35 H new ATOM 0 HA3 GLY A 2 5.848 0.432 -16.775 1.00 25.35 H new ATOM 31 N LYS A 3 3.859 -0.289 -18.932 1.00 3.50 N ATOM 32 CA LYS A 3 2.675 -1.024 -19.343 1.00 2.23 C ATOM 33 C LYS A 3 2.946 -2.525 -19.225 1.00 30.01 C ATOM 34 O LYS A 3 3.394 -3.156 -20.181 1.00 54.44 O ATOM 35 CB LYS A 3 2.231 -0.587 -20.740 1.00 41.31 C ATOM 36 CG LYS A 3 3.403 -0.619 -21.723 1.00 42.00 C ATOM 37 CD LYS A 3 2.906 -0.715 -23.167 1.00 14.33 C ATOM 38 CE LYS A 3 3.255 0.551 -23.952 1.00 12.10 C ATOM 39 NZ LYS A 3 4.272 0.256 -24.986 1.00 32.52 N ATOM 0 H LYS A 3 4.606 -0.262 -19.626 1.00 3.50 H new ATOM 0 HA LYS A 3 1.838 -0.798 -18.683 1.00 2.23 H new ATOM 0 HB2 LYS A 3 1.436 -1.243 -21.095 1.00 41.31 H new ATOM 0 HB3 LYS A 3 1.817 0.420 -20.695 1.00 41.31 H new ATOM 0 HG2 LYS A 3 4.008 0.279 -21.602 1.00 42.00 H new ATOM 0 HG3 LYS A 3 4.047 -1.470 -21.499 1.00 42.00 H new ATOM 0 HD2 LYS A 3 3.353 -1.583 -23.652 1.00 14.33 H new ATOM 0 HD3 LYS A 3 1.827 -0.866 -23.175 1.00 14.33 H new ATOM 0 HE2 LYS A 3 2.357 0.954 -24.421 1.00 12.10 H new ATOM 0 HE3 LYS A 3 3.630 1.316 -23.272 1.00 12.10 H new ATOM 0 HZ1 LYS A 3 4.497 1.126 -25.509 1.00 32.52 H new ATOM 0 HZ2 LYS A 3 5.134 -0.108 -24.531 1.00 32.52 H new ATOM 0 HZ3 LYS A 3 3.900 -0.458 -25.645 1.00 32.52 H new ATOM 52 N TRP A 4 2.663 -3.054 -18.044 1.00 1.04 N ATOM 53 CA TRP A 4 2.871 -4.469 -17.788 1.00 75.33 C ATOM 54 C TRP A 4 1.616 -5.220 -18.240 1.00 62.01 C ATOM 55 O TRP A 4 0.561 -5.102 -17.620 1.00 14.11 O ATOM 56 CB TRP A 4 3.218 -4.716 -16.319 1.00 63.20 C ATOM 57 CG TRP A 4 2.226 -4.097 -15.332 1.00 62.32 C ATOM 58 CD1 TRP A 4 2.279 -2.887 -14.759 1.00 71.20 C ATOM 59 CD2 TRP A 4 1.024 -4.711 -14.823 1.00 34.41 C ATOM 60 NE1 TRP A 4 1.203 -2.677 -13.921 1.00 32.21 N ATOM 61 CE2 TRP A 4 0.415 -3.822 -13.961 1.00 41.21 C ATOM 62 CE3 TRP A 4 0.468 -5.977 -15.082 1.00 42.21 C ATOM 63 CZ2 TRP A 4 -0.780 -4.102 -13.289 1.00 13.15 C ATOM 64 CZ3 TRP A 4 -0.727 -6.241 -14.402 1.00 63.40 C ATOM 65 CH2 TRP A 4 -1.352 -5.357 -13.531 1.00 42.31 C ATOM 0 H TRP A 4 2.291 -2.528 -17.253 1.00 1.04 H new ATOM 0 HA TRP A 4 3.724 -4.842 -18.355 1.00 75.33 H new ATOM 0 HB2 TRP A 4 3.266 -5.791 -16.144 1.00 63.20 H new ATOM 0 HB3 TRP A 4 4.212 -4.315 -16.119 1.00 63.20 H new ATOM 0 HD1 TRP A 4 3.065 -2.167 -14.931 1.00 71.20 H new ATOM 0 HE1 TRP A 4 1.019 -1.837 -13.373 1.00 32.21 H new ATOM 0 HE3 TRP A 4 0.927 -6.689 -15.752 1.00 42.21 H new ATOM 0 HZ2 TRP A 4 -1.237 -3.388 -12.619 1.00 13.15 H new ATOM 0 HZ3 TRP A 4 -1.196 -7.200 -14.566 1.00 63.40 H new ATOM 0 HH2 TRP A 4 -2.274 -5.636 -13.043 1.00 42.31 H new ATOM 76 N THR A 5 1.773 -5.976 -19.317 1.00 4.40 N ATOM 77 CA THR A 5 0.667 -6.746 -19.859 1.00 53.51 C ATOM 78 C THR A 5 0.175 -7.768 -18.833 1.00 24.32 C ATOM 79 O THR A 5 0.950 -8.242 -18.003 1.00 62.02 O ATOM 80 CB THR A 5 1.129 -7.378 -21.173 1.00 43.53 C ATOM 81 OG1 THR A 5 1.225 -6.277 -22.073 1.00 51.22 O ATOM 82 CG2 THR A 5 0.061 -8.278 -21.798 1.00 5.20 C ATOM 0 H THR A 5 2.650 -6.071 -19.829 1.00 4.40 H new ATOM 0 HA THR A 5 -0.191 -6.108 -20.073 1.00 53.51 H new ATOM 0 HB THR A 5 2.035 -7.958 -20.997 1.00 43.53 H new ATOM 0 HG1 THR A 5 1.521 -6.597 -22.951 1.00 51.22 H new ATOM 0 HG21 THR A 5 0.440 -8.701 -22.728 1.00 5.20 H new ATOM 0 HG22 THR A 5 -0.186 -9.084 -21.107 1.00 5.20 H new ATOM 0 HG23 THR A 5 -0.834 -7.691 -22.005 1.00 5.20 H new ATOM 90 N TYR A 6 -1.110 -8.079 -18.923 1.00 5.34 N ATOM 91 CA TYR A 6 -1.713 -9.037 -18.012 1.00 55.32 C ATOM 92 C TYR A 6 -3.169 -9.314 -18.394 1.00 62.14 C ATOM 93 O TYR A 6 -3.926 -8.389 -18.684 1.00 4.43 O ATOM 94 CB TYR A 6 -1.677 -8.384 -16.629 1.00 34.22 C ATOM 95 CG TYR A 6 -1.699 -9.382 -15.469 1.00 71.24 C ATOM 96 CD1 TYR A 6 -2.896 -9.923 -15.047 1.00 34.41 C ATOM 97 CD2 TYR A 6 -0.521 -9.741 -14.846 1.00 74.40 C ATOM 98 CE1 TYR A 6 -2.917 -10.863 -13.956 1.00 2.33 C ATOM 99 CE2 TYR A 6 -0.542 -10.681 -13.755 1.00 2.22 C ATOM 100 CZ TYR A 6 -1.738 -11.195 -13.363 1.00 75.15 C ATOM 101 OH TYR A 6 -1.758 -12.082 -12.333 1.00 23.31 O ATOM 0 H TYR A 6 -1.750 -7.685 -19.613 1.00 5.34 H new ATOM 0 HA TYR A 6 -1.176 -9.985 -18.041 1.00 55.32 H new ATOM 0 HB2 TYR A 6 -0.779 -7.772 -16.551 1.00 34.22 H new ATOM 0 HB3 TYR A 6 -2.530 -7.712 -16.533 1.00 34.22 H new ATOM 0 HD1 TYR A 6 -3.817 -9.642 -15.535 1.00 34.41 H new ATOM 0 HD2 TYR A 6 0.416 -9.317 -15.176 1.00 74.40 H new ATOM 0 HE1 TYR A 6 -3.847 -11.294 -13.616 1.00 2.33 H new ATOM 0 HE2 TYR A 6 0.372 -10.971 -13.259 1.00 2.22 H new ATOM 0 HH TYR A 6 -0.845 -12.226 -12.007 1.00 23.31 H new ATOM 111 N ASN A 7 -3.517 -10.592 -18.383 1.00 62.41 N ATOM 112 CA ASN A 7 -4.868 -11.003 -18.725 1.00 20.31 C ATOM 113 C ASN A 7 -5.092 -10.808 -20.226 1.00 4.42 C ATOM 114 O ASN A 7 -6.141 -10.321 -20.642 1.00 55.43 O ATOM 115 CB ASN A 7 -5.905 -10.162 -17.979 1.00 0.43 C ATOM 116 CG ASN A 7 -7.010 -11.044 -17.394 1.00 63.12 C ATOM 117 OD1 ASN A 7 -6.769 -11.947 -16.610 1.00 62.31 O ATOM 118 ND2 ASN A 7 -8.231 -10.734 -17.818 1.00 53.53 N ATOM 0 H ASN A 7 -2.887 -11.357 -18.143 1.00 62.41 H new ATOM 0 HA ASN A 7 -4.983 -12.050 -18.444 1.00 20.31 H new ATOM 0 HB2 ASN A 7 -5.418 -9.604 -17.179 1.00 0.43 H new ATOM 0 HB3 ASN A 7 -6.341 -9.430 -18.658 1.00 0.43 H new ATOM 0 HD21 ASN A 7 -9.036 -11.265 -17.486 1.00 53.53 H new ATOM 0 HD22 ASN A 7 -8.363 -9.965 -18.475 1.00 53.53 H new ATOM 125 N GLY A 8 -4.087 -11.197 -20.997 1.00 33.30 N ATOM 126 CA GLY A 8 -4.161 -11.071 -22.443 1.00 10.13 C ATOM 127 C GLY A 8 -4.582 -9.657 -22.849 1.00 2.04 C ATOM 128 O GLY A 8 -5.356 -9.482 -23.789 1.00 5.54 O ATOM 0 H GLY A 8 -3.217 -11.599 -20.648 1.00 33.30 H new ATOM 0 HA2 GLY A 8 -3.191 -11.306 -22.882 1.00 10.13 H new ATOM 0 HA3 GLY A 8 -4.874 -11.794 -22.839 1.00 10.13 H new ATOM 132 N ILE A 9 -4.054 -8.685 -22.120 1.00 4.31 N ATOM 133 CA ILE A 9 -4.365 -7.292 -22.392 1.00 43.34 C ATOM 134 C ILE A 9 -3.329 -6.399 -21.706 1.00 14.35 C ATOM 135 O ILE A 9 -2.853 -6.718 -20.617 1.00 54.02 O ATOM 136 CB ILE A 9 -5.808 -6.977 -21.995 1.00 33.40 C ATOM 137 CG1 ILE A 9 -6.141 -7.569 -20.624 1.00 4.15 C ATOM 138 CG2 ILE A 9 -6.788 -7.445 -23.073 1.00 40.24 C ATOM 139 CD1 ILE A 9 -6.269 -6.468 -19.568 1.00 73.44 C ATOM 0 H ILE A 9 -3.413 -8.835 -21.341 1.00 4.31 H new ATOM 0 HA ILE A 9 -4.302 -7.090 -23.461 1.00 43.34 H new ATOM 0 HB ILE A 9 -5.911 -5.895 -21.913 1.00 33.40 H new ATOM 0 HG12 ILE A 9 -7.073 -8.131 -20.683 1.00 4.15 H new ATOM 0 HG13 ILE A 9 -5.363 -8.272 -20.329 1.00 4.15 H new ATOM 0 HG21 ILE A 9 -7.807 -7.209 -22.766 1.00 40.24 H new ATOM 0 HG22 ILE A 9 -6.565 -6.938 -24.012 1.00 40.24 H new ATOM 0 HG23 ILE A 9 -6.691 -8.522 -23.210 1.00 40.24 H new ATOM 0 HD11 ILE A 9 -6.506 -6.915 -18.603 1.00 73.44 H new ATOM 0 HD12 ILE A 9 -5.328 -5.923 -19.494 1.00 73.44 H new ATOM 0 HD13 ILE A 9 -7.065 -5.780 -19.854 1.00 73.44 H new ATOM 151 N THR A 10 -3.011 -5.297 -22.370 1.00 34.33 N ATOM 152 CA THR A 10 -2.041 -4.356 -21.837 1.00 13.22 C ATOM 153 C THR A 10 -2.752 -3.211 -21.112 1.00 23.12 C ATOM 154 O THR A 10 -3.943 -2.984 -21.320 1.00 45.20 O ATOM 155 CB THR A 10 -1.155 -3.886 -22.992 1.00 25.13 C ATOM 156 OG1 THR A 10 -0.729 -5.094 -23.616 1.00 62.20 O ATOM 157 CG2 THR A 10 0.145 -3.239 -22.507 1.00 34.41 C ATOM 0 H THR A 10 -3.408 -5.035 -23.272 1.00 34.33 H new ATOM 0 HA THR A 10 -1.403 -4.826 -21.089 1.00 13.22 H new ATOM 0 HB THR A 10 -1.707 -3.175 -23.607 1.00 25.13 H new ATOM 0 HG1 THR A 10 -0.116 -5.572 -23.019 1.00 62.20 H new ATOM 0 HG21 THR A 10 0.737 -2.923 -23.366 1.00 34.41 H new ATOM 0 HG22 THR A 10 -0.089 -2.372 -21.889 1.00 34.41 H new ATOM 0 HG23 THR A 10 0.714 -3.960 -21.920 1.00 34.41 H new ATOM 165 N TYR A 11 -1.991 -2.520 -20.275 1.00 60.54 N ATOM 166 CA TYR A 11 -2.533 -1.405 -19.518 1.00 42.23 C ATOM 167 C TYR A 11 -1.947 -0.077 -20.003 1.00 23.21 C ATOM 168 O TYR A 11 -0.776 0.213 -19.763 1.00 65.44 O ATOM 169 CB TYR A 11 -2.110 -1.636 -18.066 1.00 41.42 C ATOM 170 CG TYR A 11 -2.911 -2.725 -17.350 1.00 51.24 C ATOM 171 CD1 TYR A 11 -3.864 -3.446 -18.040 1.00 71.40 C ATOM 172 CD2 TYR A 11 -2.681 -2.986 -16.015 1.00 3.12 C ATOM 173 CE1 TYR A 11 -4.618 -4.471 -17.366 1.00 72.52 C ATOM 174 CE2 TYR A 11 -3.435 -4.011 -15.341 1.00 22.10 C ATOM 175 CZ TYR A 11 -4.366 -4.703 -16.050 1.00 34.20 C ATOM 176 OH TYR A 11 -5.079 -5.671 -15.414 1.00 25.44 O ATOM 0 H TYR A 11 -1.004 -2.711 -20.105 1.00 60.54 H new ATOM 0 HA TYR A 11 -3.615 -1.352 -19.634 1.00 42.23 H new ATOM 0 HB2 TYR A 11 -1.053 -1.903 -18.044 1.00 41.42 H new ATOM 0 HB3 TYR A 11 -2.214 -0.701 -17.515 1.00 41.42 H new ATOM 0 HD1 TYR A 11 -4.044 -3.242 -19.085 1.00 71.40 H new ATOM 0 HD2 TYR A 11 -1.935 -2.421 -15.475 1.00 3.12 H new ATOM 0 HE1 TYR A 11 -5.367 -5.043 -17.894 1.00 72.52 H new ATOM 0 HE2 TYR A 11 -3.265 -4.225 -14.296 1.00 22.10 H new ATOM 0 HH TYR A 11 -4.792 -5.727 -14.479 1.00 25.44 H new ATOM 186 N GLU A 12 -2.788 0.694 -20.675 1.00 52.15 N ATOM 187 CA GLU A 12 -2.368 1.984 -21.196 1.00 12.22 C ATOM 188 C GLU A 12 -2.312 3.018 -20.069 1.00 62.03 C ATOM 189 O GLU A 12 -1.695 4.071 -20.219 1.00 45.31 O ATOM 190 CB GLU A 12 -3.295 2.449 -22.321 1.00 4.50 C ATOM 191 CG GLU A 12 -2.762 2.010 -23.686 1.00 52.15 C ATOM 192 CD GLU A 12 -3.559 2.659 -24.820 1.00 44.42 C ATOM 193 OE1 GLU A 12 -4.624 2.151 -25.200 1.00 22.32 O ATOM 194 OE2 GLU A 12 -3.035 3.731 -25.310 1.00 45.51 O ATOM 0 H GLU A 12 -3.759 0.451 -20.871 1.00 52.15 H new ATOM 0 HA GLU A 12 -1.368 1.877 -21.615 1.00 12.22 H new ATOM 0 HB2 GLU A 12 -4.293 2.039 -22.167 1.00 4.50 H new ATOM 0 HB3 GLU A 12 -3.388 3.535 -22.295 1.00 4.50 H new ATOM 0 HG2 GLU A 12 -1.710 2.282 -23.774 1.00 52.15 H new ATOM 0 HG3 GLU A 12 -2.819 0.925 -23.771 1.00 52.15 H new ATOM 202 N GLY A 13 -2.964 2.681 -18.967 1.00 33.24 N ATOM 203 CA GLY A 13 -2.996 3.567 -17.815 1.00 71.23 C ATOM 204 C GLY A 13 -4.186 3.245 -16.908 1.00 64.14 C ATOM 205 O GLY A 13 -5.179 3.970 -16.902 1.00 35.45 O ATOM 0 H GLY A 13 -3.475 1.806 -18.847 1.00 33.24 H new ATOM 0 HA2 GLY A 13 -2.068 3.470 -17.251 1.00 71.23 H new ATOM 0 HA3 GLY A 13 -3.059 4.602 -18.150 1.00 71.23 H new ATOM 209 N GLY A 14 -4.045 2.157 -16.165 1.00 42.22 N ATOM 210 CA GLY A 14 -5.095 1.731 -15.257 1.00 34.54 C ATOM 211 C GLY A 14 -5.175 2.653 -14.039 1.00 11.15 C ATOM 212 O GLY A 14 -4.171 3.232 -13.627 1.00 61.01 O ATOM 0 H GLY A 14 -3.219 1.558 -16.174 1.00 42.22 H new ATOM 0 HA2 GLY A 14 -6.052 1.728 -15.778 1.00 34.54 H new ATOM 0 HA3 GLY A 14 -4.906 0.708 -14.931 1.00 34.54 H new ATOM 216 N GLY A 15 -6.379 2.761 -13.496 1.00 0.31 N ATOM 217 CA GLY A 15 -6.603 3.604 -12.333 1.00 61.43 C ATOM 218 C GLY A 15 -7.777 4.557 -12.565 1.00 3.30 C ATOM 219 O GLY A 15 -7.600 5.775 -12.570 1.00 74.43 O ATOM 0 H GLY A 15 -7.210 2.279 -13.840 1.00 0.31 H new ATOM 0 HA2 GLY A 15 -6.802 2.981 -11.461 1.00 61.43 H new ATOM 0 HA3 GLY A 15 -5.702 4.177 -12.116 1.00 61.43 H new ATOM 223 N GLY A 16 -8.949 3.968 -12.751 1.00 23.02 N ATOM 224 CA GLY A 16 -10.151 4.750 -12.982 1.00 52.05 C ATOM 225 C GLY A 16 -11.337 4.176 -12.205 1.00 31.33 C ATOM 226 O GLY A 16 -12.315 3.727 -12.800 1.00 34.42 O ATOM 0 H GLY A 16 -9.092 2.958 -12.746 1.00 23.02 H new ATOM 0 HA2 GLY A 16 -9.980 5.783 -12.680 1.00 52.05 H new ATOM 0 HA3 GLY A 16 -10.382 4.763 -14.047 1.00 52.05 H new ATOM 230 N GLY A 17 -11.211 4.209 -10.886 1.00 62.22 N ATOM 231 CA GLY A 17 -12.260 3.697 -10.021 1.00 0.21 C ATOM 232 C GLY A 17 -12.945 4.834 -9.259 1.00 75.54 C ATOM 233 O GLY A 17 -12.766 4.972 -8.050 1.00 41.34 O ATOM 0 H GLY A 17 -10.398 4.582 -10.396 1.00 62.22 H new ATOM 0 HA2 GLY A 17 -12.997 3.158 -10.617 1.00 0.21 H new ATOM 0 HA3 GLY A 17 -11.837 2.983 -9.314 1.00 0.21 H new ATOM 237 N GLY A 18 -13.717 5.617 -9.998 1.00 44.43 N ATOM 238 CA GLY A 18 -14.430 6.737 -9.408 1.00 1.21 C ATOM 239 C GLY A 18 -13.542 7.981 -9.345 1.00 43.53 C ATOM 240 O GLY A 18 -12.394 7.908 -8.908 1.00 52.15 O ATOM 0 H GLY A 18 -13.864 5.498 -11.000 1.00 44.43 H new ATOM 0 HA2 GLY A 18 -15.323 6.953 -9.994 1.00 1.21 H new ATOM 0 HA3 GLY A 18 -14.763 6.473 -8.404 1.00 1.21 H new ATOM 244 N GLY A 19 -14.106 9.095 -9.788 1.00 51.23 N ATOM 245 CA GLY A 19 -13.380 10.354 -9.788 1.00 62.32 C ATOM 246 C GLY A 19 -13.553 11.087 -8.456 1.00 72.34 C ATOM 247 O GLY A 19 -12.573 11.388 -7.777 1.00 61.31 O ATOM 0 H GLY A 19 -15.058 9.152 -10.150 1.00 51.23 H new ATOM 0 HA2 GLY A 19 -12.322 10.167 -9.970 1.00 62.32 H new ATOM 0 HA3 GLY A 19 -13.737 10.984 -10.603 1.00 62.32 H new ATOM 251 N GLY A 20 -14.808 11.353 -8.123 1.00 25.11 N ATOM 252 CA GLY A 20 -15.122 12.045 -6.885 1.00 20.04 C ATOM 253 C GLY A 20 -14.232 11.554 -5.741 1.00 34.43 C ATOM 254 O GLY A 20 -13.316 12.256 -5.317 1.00 21.12 O ATOM 0 H GLY A 20 -15.619 11.102 -8.689 1.00 25.11 H new ATOM 0 HA2 GLY A 20 -14.988 13.118 -7.020 1.00 20.04 H new ATOM 0 HA3 GLY A 20 -16.170 11.884 -6.630 1.00 20.04 H new ATOM 258 N SER A 21 -14.534 10.351 -5.274 1.00 11.13 N ATOM 259 CA SER A 21 -13.773 9.758 -4.187 1.00 74.43 C ATOM 260 C SER A 21 -13.844 10.653 -2.949 1.00 35.14 C ATOM 261 O SER A 21 -12.836 10.877 -2.282 1.00 4.34 O ATOM 262 CB SER A 21 -12.316 9.530 -4.595 1.00 54.40 C ATOM 263 OG SER A 21 -11.484 10.631 -4.239 1.00 15.41 O ATOM 0 H SER A 21 -15.295 9.771 -5.628 1.00 11.13 H new ATOM 0 HA SER A 21 -14.212 8.788 -3.952 1.00 74.43 H new ATOM 0 HB2 SER A 21 -11.943 8.624 -4.117 1.00 54.40 H new ATOM 0 HB3 SER A 21 -12.262 9.368 -5.672 1.00 54.40 H new ATOM 0 HG SER A 21 -11.508 10.759 -3.268 1.00 15.41 H new ATOM 269 N ALA A 22 -15.046 11.140 -2.678 1.00 55.33 N ATOM 270 CA ALA A 22 -15.263 12.006 -1.532 1.00 5.14 C ATOM 271 C ALA A 22 -14.727 11.321 -0.273 1.00 32.13 C ATOM 272 O ALA A 22 -13.657 11.672 0.222 1.00 60.31 O ATOM 273 CB ALA A 22 -16.750 12.347 -1.422 1.00 70.01 C ATOM 0 H ALA A 22 -15.881 10.951 -3.233 1.00 55.33 H new ATOM 0 HA ALA A 22 -14.723 12.945 -1.653 1.00 5.14 H new ATOM 0 HB1 ALA A 22 -16.912 12.997 -0.562 1.00 70.01 H new ATOM 0 HB2 ALA A 22 -17.074 12.858 -2.329 1.00 70.01 H new ATOM 0 HB3 ALA A 22 -17.325 11.430 -1.297 1.00 70.01 H new ATOM 279 N ALA A 23 -15.496 10.356 0.210 1.00 53.03 N ATOM 280 CA ALA A 23 -15.113 9.619 1.402 1.00 62.55 C ATOM 281 C ALA A 23 -15.341 8.124 1.167 1.00 54.02 C ATOM 282 O ALA A 23 -15.678 7.391 2.095 1.00 74.40 O ATOM 283 CB ALA A 23 -15.898 10.147 2.604 1.00 71.33 C ATOM 0 H ALA A 23 -16.383 10.067 -0.203 1.00 53.03 H new ATOM 0 HA ALA A 23 -14.054 9.761 1.617 1.00 62.55 H new ATOM 0 HB1 ALA A 23 -15.610 9.594 3.498 1.00 71.33 H new ATOM 0 HB2 ALA A 23 -15.678 11.205 2.746 1.00 71.33 H new ATOM 0 HB3 ALA A 23 -16.966 10.019 2.426 1.00 71.33 H new ATOM 289 N GLU A 24 -15.149 7.717 -0.079 1.00 42.13 N ATOM 290 CA GLU A 24 -15.330 6.323 -0.448 1.00 3.22 C ATOM 291 C GLU A 24 -13.973 5.626 -0.569 1.00 33.34 C ATOM 292 O GLU A 24 -13.882 4.408 -0.423 1.00 35.31 O ATOM 293 CB GLU A 24 -16.128 6.199 -1.747 1.00 62.31 C ATOM 294 CG GLU A 24 -15.201 6.220 -2.964 1.00 42.22 C ATOM 295 CD GLU A 24 -15.998 6.083 -4.263 1.00 0.40 C ATOM 296 OE1 GLU A 24 -16.756 6.996 -4.624 1.00 32.30 O ATOM 297 OE2 GLU A 24 -15.807 4.982 -4.906 1.00 73.43 O ATOM 0 H GLU A 24 -14.870 8.328 -0.846 1.00 42.13 H new ATOM 0 HA GLU A 24 -15.901 5.830 0.339 1.00 3.22 H new ATOM 0 HB2 GLU A 24 -16.702 5.272 -1.738 1.00 62.31 H new ATOM 0 HB3 GLU A 24 -16.845 7.017 -1.817 1.00 62.31 H new ATOM 0 HG2 GLU A 24 -14.634 7.151 -2.978 1.00 42.22 H new ATOM 0 HG3 GLU A 24 -14.478 5.407 -2.889 1.00 42.22 H new ATOM 305 N ALA A 25 -12.953 6.428 -0.834 1.00 23.04 N ATOM 306 CA ALA A 25 -11.605 5.903 -0.976 1.00 33.15 C ATOM 307 C ALA A 25 -11.002 5.676 0.412 1.00 32.21 C ATOM 308 O ALA A 25 -10.115 4.840 0.578 1.00 0.21 O ATOM 309 CB ALA A 25 -10.770 6.863 -1.824 1.00 42.33 C ATOM 0 H ALA A 25 -13.032 7.438 -0.954 1.00 23.04 H new ATOM 0 HA ALA A 25 -11.620 4.942 -1.490 1.00 33.15 H new ATOM 0 HB1 ALA A 25 -9.759 6.469 -1.930 1.00 42.33 H new ATOM 0 HB2 ALA A 25 -11.224 6.967 -2.809 1.00 42.33 H new ATOM 0 HB3 ALA A 25 -10.730 7.838 -1.338 1.00 42.33 H new ATOM 315 N TYR A 26 -11.508 6.434 1.373 1.00 0.54 N ATOM 316 CA TYR A 26 -11.030 6.327 2.741 1.00 33.54 C ATOM 317 C TYR A 26 -11.717 5.171 3.472 1.00 24.32 C ATOM 318 O TYR A 26 -11.084 4.464 4.255 1.00 20.31 O ATOM 319 CB TYR A 26 -11.408 7.642 3.425 1.00 42.20 C ATOM 320 CG TYR A 26 -12.478 7.496 4.509 1.00 61.24 C ATOM 321 CD1 TYR A 26 -12.221 6.740 5.634 1.00 32.43 C ATOM 322 CD2 TYR A 26 -13.700 8.120 4.360 1.00 21.25 C ATOM 323 CE1 TYR A 26 -13.228 6.602 6.654 1.00 33.22 C ATOM 324 CE2 TYR A 26 -14.707 7.982 5.380 1.00 30.14 C ATOM 325 CZ TYR A 26 -14.422 7.230 6.477 1.00 65.21 C ATOM 326 OH TYR A 26 -15.373 7.100 7.440 1.00 23.42 O ATOM 0 H TYR A 26 -12.245 7.125 1.232 1.00 0.54 H new ATOM 0 HA TYR A 26 -9.956 6.140 2.759 1.00 33.54 H new ATOM 0 HB2 TYR A 26 -10.513 8.079 3.869 1.00 42.20 H new ATOM 0 HB3 TYR A 26 -11.764 8.343 2.670 1.00 42.20 H new ATOM 0 HD1 TYR A 26 -11.265 6.252 5.750 1.00 32.43 H new ATOM 0 HD2 TYR A 26 -13.901 8.711 3.479 1.00 21.25 H new ATOM 0 HE1 TYR A 26 -13.040 6.013 7.540 1.00 33.22 H new ATOM 0 HE2 TYR A 26 -15.667 8.465 5.276 1.00 30.14 H new ATOM 0 HH TYR A 26 -16.173 7.603 7.180 1.00 23.42 H new ATOM 336 N ALA A 27 -13.002 5.014 3.191 1.00 43.45 N ATOM 337 CA ALA A 27 -13.781 3.956 3.811 1.00 3.53 C ATOM 338 C ALA A 27 -13.269 2.599 3.324 1.00 1.33 C ATOM 339 O ALA A 27 -12.714 1.826 4.103 1.00 64.42 O ATOM 340 CB ALA A 27 -15.264 4.166 3.501 1.00 33.42 C ATOM 0 H ALA A 27 -13.524 5.603 2.541 1.00 43.45 H new ATOM 0 HA ALA A 27 -13.668 3.980 4.895 1.00 3.53 H new ATOM 0 HB1 ALA A 27 -15.849 3.372 3.966 1.00 33.42 H new ATOM 0 HB2 ALA A 27 -15.585 5.131 3.894 1.00 33.42 H new ATOM 0 HB3 ALA A 27 -15.417 4.145 2.422 1.00 33.42 H new ATOM 346 N LYS A 28 -13.474 2.352 2.039 1.00 32.10 N ATOM 347 CA LYS A 28 -13.040 1.102 1.439 1.00 34.40 C ATOM 348 C LYS A 28 -11.670 0.719 2.002 1.00 41.44 C ATOM 349 O LYS A 28 -11.429 -0.443 2.324 1.00 73.25 O ATOM 350 CB LYS A 28 -13.073 1.200 -0.087 1.00 41.25 C ATOM 351 CG LYS A 28 -11.940 2.090 -0.604 1.00 20.34 C ATOM 352 CD LYS A 28 -11.916 2.114 -2.133 1.00 42.32 C ATOM 353 CE LYS A 28 -10.628 1.488 -2.671 1.00 61.23 C ATOM 354 NZ LYS A 28 -10.775 1.152 -4.105 1.00 43.03 N ATOM 0 H LYS A 28 -13.935 2.996 1.396 1.00 32.10 H new ATOM 0 HA LYS A 28 -13.727 0.297 1.698 1.00 34.40 H new ATOM 0 HB2 LYS A 28 -12.985 0.204 -0.521 1.00 41.25 H new ATOM 0 HB3 LYS A 28 -14.033 1.604 -0.408 1.00 41.25 H new ATOM 0 HG2 LYS A 28 -12.066 3.103 -0.223 1.00 20.34 H new ATOM 0 HG3 LYS A 28 -10.985 1.724 -0.227 1.00 20.34 H new ATOM 0 HD2 LYS A 28 -12.778 1.572 -2.522 1.00 42.32 H new ATOM 0 HD3 LYS A 28 -12.000 3.142 -2.485 1.00 42.32 H new ATOM 0 HE2 LYS A 28 -9.797 2.180 -2.537 1.00 61.23 H new ATOM 0 HE3 LYS A 28 -10.389 0.589 -2.103 1.00 61.23 H new ATOM 0 HZ1 LYS A 28 -9.892 0.728 -4.455 1.00 43.03 H new ATOM 0 HZ2 LYS A 28 -11.555 0.475 -4.225 1.00 43.03 H new ATOM 0 HZ3 LYS A 28 -10.981 2.017 -4.645 1.00 43.03 H new ATOM 367 N ARG A 29 -10.807 1.720 2.103 1.00 74.11 N ATOM 368 CA ARG A 29 -9.467 1.503 2.621 1.00 13.20 C ATOM 369 C ARG A 29 -9.527 1.109 4.098 1.00 24.31 C ATOM 370 O ARG A 29 -8.941 0.104 4.500 1.00 54.30 O ATOM 371 CB ARG A 29 -8.608 2.760 2.470 1.00 15.41 C ATOM 372 CG ARG A 29 -7.404 2.718 3.413 1.00 61.15 C ATOM 373 CD ARG A 29 -6.485 1.542 3.076 1.00 73.44 C ATOM 374 NE ARG A 29 -5.797 1.071 4.298 1.00 23.21 N ATOM 375 CZ ARG A 29 -4.923 0.042 4.326 1.00 2.20 C ATOM 376 NH1 ARG A 29 -4.623 -0.633 3.196 1.00 31.12 N ATOM 377 NH2 ARG A 29 -4.366 -0.293 5.475 1.00 61.42 N ATOM 0 H ARG A 29 -11.010 2.683 1.835 1.00 74.11 H new ATOM 0 HA ARG A 29 -9.015 0.696 2.044 1.00 13.20 H new ATOM 0 HB2 ARG A 29 -8.264 2.848 1.439 1.00 15.41 H new ATOM 0 HB3 ARG A 29 -9.210 3.644 2.682 1.00 15.41 H new ATOM 0 HG2 ARG A 29 -6.847 3.652 3.340 1.00 61.15 H new ATOM 0 HG3 ARG A 29 -7.748 2.632 4.444 1.00 61.15 H new ATOM 0 HD2 ARG A 29 -7.066 0.729 2.640 1.00 73.44 H new ATOM 0 HD3 ARG A 29 -5.751 1.846 2.330 1.00 73.44 H new ATOM 0 HE ARG A 29 -5.995 1.554 5.174 1.00 23.21 H new ATOM 0 HH11 ARG A 29 -5.058 -0.367 2.312 1.00 31.12 H new ATOM 0 HH12 ARG A 29 -3.962 -1.409 3.226 1.00 31.12 H new ATOM 0 HH21 ARG A 29 -4.598 0.223 6.324 1.00 61.42 H new ATOM 0 HH22 ARG A 29 -3.704 -1.068 5.514 1.00 61.42 H new ATOM 390 N ILE A 30 -10.239 1.920 4.866 1.00 2.02 N ATOM 391 CA ILE A 30 -10.382 1.668 6.290 1.00 12.31 C ATOM 392 C ILE A 30 -10.506 0.162 6.527 1.00 21.14 C ATOM 393 O ILE A 30 -9.723 -0.418 7.278 1.00 62.22 O ATOM 394 CB ILE A 30 -11.547 2.479 6.863 1.00 64.21 C ATOM 395 CG1 ILE A 30 -11.252 3.979 6.804 1.00 50.14 C ATOM 396 CG2 ILE A 30 -11.890 2.018 8.281 1.00 75.23 C ATOM 397 CD1 ILE A 30 -11.175 4.579 8.209 1.00 24.41 C ATOM 0 H ILE A 30 -10.723 2.752 4.529 1.00 2.02 H new ATOM 0 HA ILE A 30 -9.495 2.004 6.827 1.00 12.31 H new ATOM 0 HB ILE A 30 -12.426 2.299 6.244 1.00 64.21 H new ATOM 0 HG12 ILE A 30 -10.311 4.148 6.281 1.00 50.14 H new ATOM 0 HG13 ILE A 30 -12.030 4.484 6.231 1.00 50.14 H new ATOM 0 HG21 ILE A 30 -12.721 2.610 8.665 1.00 75.23 H new ATOM 0 HG22 ILE A 30 -12.172 0.965 8.263 1.00 75.23 H new ATOM 0 HG23 ILE A 30 -11.022 2.150 8.926 1.00 75.23 H new ATOM 0 HD11 ILE A 30 -10.964 5.646 8.138 1.00 24.41 H new ATOM 0 HD12 ILE A 30 -12.126 4.430 8.721 1.00 24.41 H new ATOM 0 HD13 ILE A 30 -10.380 4.089 8.771 1.00 24.41 H new ATOM 409 N ALA A 31 -11.496 -0.428 5.874 1.00 65.44 N ATOM 410 CA ALA A 31 -11.732 -1.856 6.004 1.00 22.20 C ATOM 411 C ALA A 31 -10.394 -2.597 5.948 1.00 35.32 C ATOM 412 O ALA A 31 -10.090 -3.403 6.826 1.00 32.23 O ATOM 413 CB ALA A 31 -12.699 -2.316 4.911 1.00 11.42 C ATOM 0 H ALA A 31 -12.144 0.057 5.253 1.00 65.44 H new ATOM 0 HA ALA A 31 -12.195 -2.082 6.965 1.00 22.20 H new ATOM 0 HB1 ALA A 31 -12.876 -3.387 5.009 1.00 11.42 H new ATOM 0 HB2 ALA A 31 -13.644 -1.782 5.012 1.00 11.42 H new ATOM 0 HB3 ALA A 31 -12.267 -2.107 3.932 1.00 11.42 H new ATOM 419 N GLU A 32 -9.632 -2.298 4.907 1.00 24.12 N ATOM 420 CA GLU A 32 -8.334 -2.926 4.725 1.00 2.13 C ATOM 421 C GLU A 32 -7.502 -2.805 6.004 1.00 43.45 C ATOM 422 O GLU A 32 -7.022 -3.806 6.534 1.00 54.42 O ATOM 423 CB GLU A 32 -7.595 -2.321 3.530 1.00 4.34 C ATOM 424 CG GLU A 32 -8.421 -2.453 2.250 1.00 72.22 C ATOM 425 CD GLU A 32 -7.552 -2.923 1.082 1.00 24.40 C ATOM 426 OE1 GLU A 32 -6.689 -3.796 1.263 1.00 11.33 O ATOM 427 OE2 GLU A 32 -7.798 -2.350 -0.047 1.00 2.42 O ATOM 0 H GLU A 32 -9.888 -1.629 4.181 1.00 24.12 H new ATOM 0 HA GLU A 32 -8.490 -3.984 4.515 1.00 2.13 H new ATOM 0 HB2 GLU A 32 -7.383 -1.269 3.723 1.00 4.34 H new ATOM 0 HB3 GLU A 32 -6.635 -2.821 3.401 1.00 4.34 H new ATOM 0 HG2 GLU A 32 -9.235 -3.160 2.410 1.00 72.22 H new ATOM 0 HG3 GLU A 32 -8.876 -1.493 2.006 1.00 72.22 H new ATOM 435 N ALA A 33 -7.355 -1.570 6.461 1.00 15.05 N ATOM 436 CA ALA A 33 -6.590 -1.305 7.667 1.00 4.25 C ATOM 437 C ALA A 33 -7.102 -2.198 8.799 1.00 71.53 C ATOM 438 O ALA A 33 -6.323 -2.902 9.440 1.00 74.42 O ATOM 439 CB ALA A 33 -6.680 0.183 8.013 1.00 30.21 C ATOM 0 H ALA A 33 -7.753 -0.742 6.018 1.00 15.05 H new ATOM 0 HA ALA A 33 -5.537 -1.541 7.512 1.00 4.25 H new ATOM 0 HB1 ALA A 33 -6.106 0.381 8.918 1.00 30.21 H new ATOM 0 HB2 ALA A 33 -6.276 0.773 7.190 1.00 30.21 H new ATOM 0 HB3 ALA A 33 -7.722 0.456 8.177 1.00 30.21 H new ATOM 445 N MET A 34 -8.409 -2.141 9.009 1.00 21.03 N ATOM 446 CA MET A 34 -9.035 -2.936 10.052 1.00 64.40 C ATOM 447 C MET A 34 -8.846 -4.432 9.789 1.00 42.23 C ATOM 448 O MET A 34 -9.098 -5.257 10.665 1.00 11.35 O ATOM 449 CB MET A 34 -10.529 -2.613 10.113 1.00 22.43 C ATOM 450 CG MET A 34 -10.759 -1.163 10.544 1.00 30.54 C ATOM 451 SD MET A 34 -11.090 -1.093 12.297 1.00 1.10 S ATOM 452 CE MET A 34 -12.402 0.117 12.316 1.00 32.13 C ATOM 0 H MET A 34 -9.052 -1.557 8.475 1.00 21.03 H new ATOM 0 HA MET A 34 -8.562 -2.691 11.003 1.00 64.40 H new ATOM 0 HB2 MET A 34 -10.981 -2.782 9.136 1.00 22.43 H new ATOM 0 HB3 MET A 34 -11.022 -3.287 10.813 1.00 22.43 H new ATOM 0 HG2 MET A 34 -9.882 -0.561 10.307 1.00 30.54 H new ATOM 0 HG3 MET A 34 -11.596 -0.739 9.990 1.00 30.54 H new ATOM 0 HE1 MET A 34 -12.730 0.282 13.342 1.00 32.13 H new ATOM 0 HE2 MET A 34 -12.038 1.055 11.896 1.00 32.13 H new ATOM 0 HE3 MET A 34 -13.240 -0.246 11.721 1.00 32.13 H new ATOM 462 N ALA A 35 -8.403 -4.736 8.577 1.00 14.44 N ATOM 463 CA ALA A 35 -8.178 -6.117 8.188 1.00 62.13 C ATOM 464 C ALA A 35 -6.674 -6.398 8.170 1.00 70.42 C ATOM 465 O ALA A 35 -6.085 -6.578 7.105 1.00 72.40 O ATOM 466 CB ALA A 35 -8.836 -6.379 6.832 1.00 72.23 C ATOM 0 H ALA A 35 -8.194 -4.049 7.852 1.00 14.44 H new ATOM 0 HA ALA A 35 -8.632 -6.798 8.908 1.00 62.13 H new ATOM 0 HB1 ALA A 35 -8.667 -7.415 6.540 1.00 72.23 H new ATOM 0 HB2 ALA A 35 -9.907 -6.193 6.905 1.00 72.23 H new ATOM 0 HB3 ALA A 35 -8.403 -5.716 6.083 1.00 72.23 H new ATOM 472 N LYS A 36 -6.096 -6.427 9.361 1.00 24.34 N ATOM 473 CA LYS A 36 -4.672 -6.684 9.496 1.00 3.41 C ATOM 474 C LYS A 36 -4.389 -8.152 9.171 1.00 51.42 C ATOM 475 O LYS A 36 -5.226 -9.018 9.419 1.00 23.44 O ATOM 476 CB LYS A 36 -4.179 -6.254 10.879 1.00 25.34 C ATOM 477 CG LYS A 36 -2.654 -6.341 10.969 1.00 24.42 C ATOM 478 CD LYS A 36 -1.993 -5.182 10.220 1.00 72.51 C ATOM 479 CE LYS A 36 -0.700 -4.747 10.913 1.00 73.43 C ATOM 480 NZ LYS A 36 -0.779 -3.324 11.311 1.00 73.20 N ATOM 0 H LYS A 36 -6.588 -6.277 10.242 1.00 24.34 H new ATOM 0 HA LYS A 36 -4.108 -6.085 8.781 1.00 3.41 H new ATOM 0 HB2 LYS A 36 -4.501 -5.233 11.083 1.00 25.34 H new ATOM 0 HB3 LYS A 36 -4.629 -6.888 11.643 1.00 25.34 H new ATOM 0 HG2 LYS A 36 -2.346 -6.325 12.015 1.00 24.42 H new ATOM 0 HG3 LYS A 36 -2.315 -7.289 10.551 1.00 24.42 H new ATOM 0 HD2 LYS A 36 -1.777 -5.483 9.195 1.00 72.51 H new ATOM 0 HD3 LYS A 36 -2.682 -4.339 10.166 1.00 72.51 H new ATOM 0 HE2 LYS A 36 -0.525 -5.367 11.792 1.00 73.43 H new ATOM 0 HE3 LYS A 36 0.147 -4.897 10.243 1.00 73.43 H new ATOM 0 HZ1 LYS A 36 0.106 -3.045 11.780 1.00 73.20 H new ATOM 0 HZ2 LYS A 36 -0.924 -2.735 10.466 1.00 73.20 H new ATOM 0 HZ3 LYS A 36 -1.575 -3.191 11.967 1.00 73.20 H new ATOM 493 N GLY A 37 -3.207 -8.386 8.620 1.00 52.54 N ATOM 494 CA GLY A 37 -2.804 -9.734 8.258 1.00 41.34 C ATOM 495 C GLY A 37 -2.639 -10.609 9.501 1.00 23.25 C ATOM 496 O GLY A 37 -1.903 -10.255 10.421 1.00 12.43 O ATOM 0 H GLY A 37 -2.515 -7.665 8.415 1.00 52.54 H new ATOM 0 HA2 GLY A 37 -3.549 -10.174 7.595 1.00 41.34 H new ATOM 0 HA3 GLY A 37 -1.865 -9.701 7.705 1.00 41.34 H new TER 500 GLY A 37