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 Single : A 1 ARG N :NH3+ 150:sc= -0.112 (180deg=-0.701) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 51:sc= 0.109 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00272 K(o=-0.0027,f=-0.65) 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+ -148:sc= 0 (180deg=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.345 2.118 -17.078 1.00 51.05 N ATOM 2 CA ARG A 1 5.882 0.952 -16.345 1.00 54.14 C ATOM 3 C ARG A 1 4.565 1.263 -15.630 1.00 43.33 C ATOM 4 O ARG A 1 4.459 1.095 -14.416 1.00 44.04 O ATOM 5 CB ARG A 1 6.919 0.501 -15.316 1.00 23.04 C ATOM 6 CG ARG A 1 7.175 1.596 -14.278 1.00 54.44 C ATOM 7 CD ARG A 1 8.673 1.765 -14.016 1.00 54.15 C ATOM 8 NE ARG A 1 8.967 1.519 -12.587 1.00 43.22 N ATOM 9 CZ ARG A 1 9.203 0.298 -12.062 1.00 71.01 C ATOM 10 NH1 ARG A 1 9.180 -0.801 -12.846 1.00 40.11 N ATOM 11 NH2 ARG A 1 9.456 0.194 -10.771 1.00 13.43 N ATOM 0 H1 ARG A 1 7.384 2.110 -17.123 1.00 51.05 H new ATOM 0 H2 ARG A 1 5.957 2.098 -18.043 1.00 51.05 H new ATOM 0 H3 ARG A 1 6.026 2.982 -16.594 1.00 51.05 H new ATOM 0 HA ARG A 1 5.728 0.148 -17.064 1.00 54.14 H new ATOM 0 HB2 ARG A 1 6.572 -0.404 -14.817 1.00 23.04 H new ATOM 0 HB3 ARG A 1 7.851 0.249 -15.821 1.00 23.04 H new ATOM 0 HG2 ARG A 1 6.755 2.539 -14.628 1.00 54.44 H new ATOM 0 HG3 ARG A 1 6.666 1.346 -13.347 1.00 54.44 H new ATOM 0 HD2 ARG A 1 9.240 1.071 -14.637 1.00 54.15 H new ATOM 0 HD3 ARG A 1 8.988 2.771 -14.293 1.00 54.15 H new ATOM 0 HE ARG A 1 8.993 2.322 -11.959 1.00 43.22 H new ATOM 0 HH11 ARG A 1 8.983 -0.712 -13.843 1.00 40.11 H new ATOM 0 HH12 ARG A 1 9.359 -1.720 -12.441 1.00 40.11 H new ATOM 0 HH21 ARG A 1 9.471 1.029 -10.185 1.00 13.43 H new ATOM 0 HH22 ARG A 1 9.636 -0.721 -10.359 1.00 13.43 H new ATOM 24 N GLY A 2 3.595 1.712 -16.413 1.00 60.52 N ATOM 25 CA GLY A 2 2.290 2.048 -15.870 1.00 30.31 C ATOM 26 C GLY A 2 1.307 0.889 -16.049 1.00 14.23 C ATOM 27 O GLY A 2 0.837 0.312 -15.069 1.00 65.32 O ATOM 0 H GLY A 2 3.687 1.851 -17.419 1.00 60.52 H new ATOM 0 HA2 GLY A 2 2.384 2.290 -14.811 1.00 30.31 H new ATOM 0 HA3 GLY A 2 1.903 2.938 -16.367 1.00 30.31 H new ATOM 31 N LYS A 3 1.024 0.584 -17.307 1.00 33.05 N ATOM 32 CA LYS A 3 0.105 -0.495 -17.626 1.00 73.23 C ATOM 33 C LYS A 3 0.725 -1.829 -17.206 1.00 0.04 C ATOM 34 O LYS A 3 1.921 -2.047 -17.391 1.00 62.43 O ATOM 35 CB LYS A 3 -0.293 -0.440 -19.103 1.00 31.44 C ATOM 36 CG LYS A 3 0.926 -0.636 -20.007 1.00 33.45 C ATOM 37 CD LYS A 3 1.350 0.686 -20.650 1.00 33.53 C ATOM 38 CE LYS A 3 2.679 1.175 -20.072 1.00 11.15 C ATOM 39 NZ LYS A 3 3.730 1.171 -21.113 1.00 62.43 N ATOM 0 H LYS A 3 1.415 1.065 -18.117 1.00 33.05 H new ATOM 0 HA LYS A 3 -0.823 -0.384 -17.065 1.00 73.23 H new ATOM 0 HB2 LYS A 3 -1.034 -1.212 -19.313 1.00 31.44 H new ATOM 0 HB3 LYS A 3 -0.762 0.519 -19.322 1.00 31.44 H new ATOM 0 HG2 LYS A 3 1.753 -1.043 -19.425 1.00 33.45 H new ATOM 0 HG3 LYS A 3 0.694 -1.364 -20.784 1.00 33.45 H new ATOM 0 HD2 LYS A 3 1.444 0.556 -21.728 1.00 33.53 H new ATOM 0 HD3 LYS A 3 0.579 1.438 -20.485 1.00 33.53 H new ATOM 0 HE2 LYS A 3 2.560 2.182 -19.671 1.00 11.15 H new ATOM 0 HE3 LYS A 3 2.979 0.535 -19.242 1.00 11.15 H new ATOM 0 HZ1 LYS A 3 4.625 1.506 -20.704 1.00 62.43 H new ATOM 0 HZ2 LYS A 3 3.855 0.205 -21.476 1.00 62.43 H new ATOM 0 HZ3 LYS A 3 3.449 1.800 -21.892 1.00 62.43 H new ATOM 52 N TRP A 4 -0.116 -2.686 -16.647 1.00 34.42 N ATOM 53 CA TRP A 4 0.334 -3.993 -16.198 1.00 43.12 C ATOM 54 C TRP A 4 -0.667 -5.036 -16.698 1.00 54.11 C ATOM 55 O TRP A 4 -1.829 -5.029 -16.295 1.00 14.02 O ATOM 56 CB TRP A 4 0.516 -4.018 -14.679 1.00 61.44 C ATOM 57 CG TRP A 4 -0.733 -3.609 -13.896 1.00 42.22 C ATOM 58 CD1 TRP A 4 -1.079 -2.384 -13.478 1.00 55.20 C ATOM 59 CD2 TRP A 4 -1.793 -4.481 -13.451 1.00 53.25 C ATOM 60 NE1 TRP A 4 -2.281 -2.402 -12.799 1.00 61.21 N ATOM 61 CE2 TRP A 4 -2.729 -3.718 -12.783 1.00 22.14 C ATOM 62 CE3 TRP A 4 -1.957 -5.868 -13.609 1.00 62.35 C ATOM 63 CZ2 TRP A 4 -3.893 -4.253 -12.218 1.00 62.54 C ATOM 64 CZ3 TRP A 4 -3.125 -6.388 -13.040 1.00 33.12 C ATOM 65 CH2 TRP A 4 -4.077 -5.634 -12.363 1.00 43.32 C ATOM 0 H TRP A 4 -1.107 -2.501 -16.494 1.00 34.42 H new ATOM 0 HA TRP A 4 1.315 -4.226 -16.612 1.00 43.12 H new ATOM 0 HB2 TRP A 4 0.810 -5.023 -14.375 1.00 61.44 H new ATOM 0 HB3 TRP A 4 1.335 -3.351 -14.410 1.00 61.44 H new ATOM 0 HD1 TRP A 4 -0.492 -1.494 -13.651 1.00 55.20 H new ATOM 0 HE1 TRP A 4 -2.753 -1.598 -12.385 1.00 61.21 H new ATOM 0 HE3 TRP A 4 -1.238 -6.484 -14.129 1.00 62.35 H new ATOM 0 HZ2 TRP A 4 -4.610 -3.635 -11.699 1.00 62.54 H new ATOM 0 HZ3 TRP A 4 -3.299 -7.450 -13.133 1.00 33.12 H new ATOM 0 HH2 TRP A 4 -4.954 -6.111 -11.951 1.00 43.32 H new ATOM 76 N THR A 5 -0.180 -5.907 -17.569 1.00 34.50 N ATOM 77 CA THR A 5 -1.018 -6.955 -18.128 1.00 55.41 C ATOM 78 C THR A 5 -1.574 -7.845 -17.015 1.00 11.54 C ATOM 79 O THR A 5 -0.815 -8.408 -16.228 1.00 5.42 O ATOM 80 CB THR A 5 -0.191 -7.721 -19.162 1.00 52.54 C ATOM 81 OG1 THR A 5 1.097 -7.833 -18.563 1.00 14.23 O ATOM 82 CG2 THR A 5 0.059 -6.905 -20.432 1.00 41.15 C ATOM 0 H THR A 5 0.784 -5.909 -17.902 1.00 34.50 H new ATOM 0 HA THR A 5 -1.889 -6.537 -18.632 1.00 55.41 H new ATOM 0 HB THR A 5 -0.702 -8.648 -19.421 1.00 52.54 H new ATOM 0 HG1 THR A 5 1.006 -8.190 -17.655 1.00 14.23 H new ATOM 0 HG21 THR A 5 0.650 -7.495 -21.133 1.00 41.15 H new ATOM 0 HG22 THR A 5 -0.895 -6.645 -20.891 1.00 41.15 H new ATOM 0 HG23 THR A 5 0.600 -5.993 -20.178 1.00 41.15 H new ATOM 90 N TYR A 6 -2.895 -7.944 -16.984 1.00 1.34 N ATOM 91 CA TYR A 6 -3.561 -8.756 -15.980 1.00 11.45 C ATOM 92 C TYR A 6 -4.029 -10.086 -16.573 1.00 35.05 C ATOM 93 O TYR A 6 -3.522 -11.145 -16.208 1.00 30.35 O ATOM 94 CB TYR A 6 -4.784 -7.952 -15.531 1.00 24.40 C ATOM 95 CG TYR A 6 -5.908 -8.807 -14.943 1.00 10.02 C ATOM 96 CD1 TYR A 6 -5.713 -9.481 -13.754 1.00 51.21 C ATOM 97 CD2 TYR A 6 -7.117 -8.904 -15.601 1.00 33.13 C ATOM 98 CE1 TYR A 6 -6.771 -10.285 -13.200 1.00 74.24 C ATOM 99 CE2 TYR A 6 -8.176 -9.708 -15.047 1.00 64.50 C ATOM 100 CZ TYR A 6 -7.950 -10.359 -13.874 1.00 75.32 C ATOM 101 OH TYR A 6 -8.950 -11.119 -13.351 1.00 50.13 O ATOM 0 H TYR A 6 -3.522 -7.475 -17.638 1.00 1.34 H new ATOM 0 HA TYR A 6 -2.883 -8.981 -15.157 1.00 11.45 H new ATOM 0 HB2 TYR A 6 -4.471 -7.219 -14.787 1.00 24.40 H new ATOM 0 HB3 TYR A 6 -5.173 -7.395 -16.383 1.00 24.40 H new ATOM 0 HD1 TYR A 6 -4.767 -9.405 -13.239 1.00 51.21 H new ATOM 0 HD2 TYR A 6 -7.269 -8.377 -16.531 1.00 33.13 H new ATOM 0 HE1 TYR A 6 -6.632 -10.817 -12.271 1.00 74.24 H new ATOM 0 HE2 TYR A 6 -9.127 -9.792 -15.551 1.00 64.50 H new ATOM 0 HH TYR A 6 -9.733 -11.078 -13.938 1.00 50.13 H new ATOM 111 N ASN A 7 -4.992 -9.988 -17.477 1.00 54.33 N ATOM 112 CA ASN A 7 -5.535 -11.170 -18.124 1.00 62.24 C ATOM 113 C ASN A 7 -5.596 -10.937 -19.635 1.00 52.32 C ATOM 114 O ASN A 7 -6.678 -10.917 -20.221 1.00 22.44 O ATOM 115 CB ASN A 7 -6.954 -11.465 -17.634 1.00 3.34 C ATOM 116 CG ASN A 7 -7.259 -12.962 -17.706 1.00 73.03 C ATOM 117 OD1 ASN A 7 -6.908 -13.649 -18.652 1.00 4.45 O ATOM 118 ND2 ASN A 7 -7.932 -13.428 -16.658 1.00 72.32 N ATOM 0 H ASN A 7 -5.411 -9.108 -17.777 1.00 54.33 H new ATOM 0 HA ASN A 7 -4.888 -12.013 -17.882 1.00 62.24 H new ATOM 0 HB2 ASN A 7 -7.068 -11.116 -16.608 1.00 3.34 H new ATOM 0 HB3 ASN A 7 -7.674 -10.914 -18.240 1.00 3.34 H new ATOM 0 HD21 ASN A 7 -8.185 -14.415 -16.612 1.00 72.32 H new ATOM 0 HD22 ASN A 7 -8.195 -12.798 -15.900 1.00 72.32 H new ATOM 125 N GLY A 8 -4.421 -10.765 -20.223 1.00 74.04 N ATOM 126 CA GLY A 8 -4.328 -10.534 -21.655 1.00 1.42 C ATOM 127 C GLY A 8 -5.002 -9.216 -22.042 1.00 74.15 C ATOM 128 O GLY A 8 -5.540 -9.090 -23.142 1.00 4.53 O ATOM 0 H GLY A 8 -3.526 -10.781 -19.734 1.00 74.04 H new ATOM 0 HA2 GLY A 8 -3.281 -10.513 -21.957 1.00 1.42 H new ATOM 0 HA3 GLY A 8 -4.798 -11.358 -22.191 1.00 1.42 H new ATOM 132 N ILE A 9 -4.952 -8.268 -21.118 1.00 73.21 N ATOM 133 CA ILE A 9 -5.552 -6.965 -21.349 1.00 43.14 C ATOM 134 C ILE A 9 -4.666 -5.883 -20.728 1.00 20.44 C ATOM 135 O ILE A 9 -4.105 -6.079 -19.650 1.00 51.25 O ATOM 136 CB ILE A 9 -6.996 -6.942 -20.845 1.00 21.34 C ATOM 137 CG1 ILE A 9 -7.093 -7.525 -19.433 1.00 63.54 C ATOM 138 CG2 ILE A 9 -7.930 -7.655 -21.825 1.00 14.34 C ATOM 139 CD1 ILE A 9 -7.295 -6.419 -18.396 1.00 33.42 C ATOM 0 H ILE A 9 -4.505 -8.376 -20.208 1.00 73.21 H new ATOM 0 HA ILE A 9 -5.609 -6.756 -22.417 1.00 43.14 H new ATOM 0 HB ILE A 9 -7.322 -5.903 -20.788 1.00 21.34 H new ATOM 0 HG12 ILE A 9 -7.922 -8.231 -19.383 1.00 63.54 H new ATOM 0 HG13 ILE A 9 -6.185 -8.083 -19.203 1.00 63.54 H new ATOM 0 HG21 ILE A 9 -8.950 -7.624 -21.443 1.00 14.34 H new ATOM 0 HG22 ILE A 9 -7.890 -7.157 -22.794 1.00 14.34 H new ATOM 0 HG23 ILE A 9 -7.616 -8.693 -21.938 1.00 14.34 H new ATOM 0 HD11 ILE A 9 -7.361 -6.860 -17.401 1.00 33.42 H new ATOM 0 HD12 ILE A 9 -6.452 -5.729 -18.432 1.00 33.42 H new ATOM 0 HD13 ILE A 9 -8.216 -5.879 -18.615 1.00 33.42 H new ATOM 151 N THR A 10 -4.568 -4.766 -21.433 1.00 22.20 N ATOM 152 CA THR A 10 -3.760 -3.653 -20.964 1.00 22.42 C ATOM 153 C THR A 10 -4.649 -2.572 -20.345 1.00 64.45 C ATOM 154 O THR A 10 -5.811 -2.430 -20.720 1.00 75.54 O ATOM 155 CB THR A 10 -2.920 -3.150 -22.139 1.00 62.34 C ATOM 156 OG1 THR A 10 -2.285 -4.324 -22.640 1.00 1.23 O ATOM 157 CG2 THR A 10 -1.758 -2.261 -21.691 1.00 15.30 C ATOM 0 H THR A 10 -5.035 -4.607 -22.326 1.00 22.20 H new ATOM 0 HA THR A 10 -3.081 -3.964 -20.170 1.00 22.42 H new ATOM 0 HB THR A 10 -3.557 -2.595 -22.828 1.00 62.34 H new ATOM 0 HG1 THR A 10 -1.721 -4.089 -23.406 1.00 1.23 H new ATOM 0 HG21 THR A 10 -1.194 -1.931 -22.564 1.00 15.30 H new ATOM 0 HG22 THR A 10 -2.148 -1.392 -21.162 1.00 15.30 H new ATOM 0 HG23 THR A 10 -1.103 -2.826 -21.028 1.00 15.30 H new ATOM 165 N TYR A 11 -4.067 -1.838 -19.409 1.00 12.14 N ATOM 166 CA TYR A 11 -4.792 -0.774 -18.735 1.00 1.04 C ATOM 167 C TYR A 11 -4.379 0.597 -19.273 1.00 4.41 C ATOM 168 O TYR A 11 -4.358 1.579 -18.532 1.00 35.24 O ATOM 169 CB TYR A 11 -4.402 -0.868 -17.258 1.00 40.32 C ATOM 170 CG TYR A 11 -5.194 -1.913 -16.471 1.00 32.14 C ATOM 171 CD1 TYR A 11 -5.965 -2.843 -17.139 1.00 4.20 C ATOM 172 CD2 TYR A 11 -5.138 -1.927 -15.092 1.00 13.44 C ATOM 173 CE1 TYR A 11 -6.710 -3.827 -16.398 1.00 12.33 C ATOM 174 CE2 TYR A 11 -5.884 -2.910 -14.350 1.00 61.53 C ATOM 175 CZ TYR A 11 -6.633 -3.812 -15.040 1.00 11.01 C ATOM 176 OH TYR A 11 -7.337 -4.741 -14.340 1.00 33.22 O ATOM 0 H TYR A 11 -3.102 -1.959 -19.101 1.00 12.14 H new ATOM 0 HA TYR A 11 -5.865 -0.882 -18.892 1.00 1.04 H new ATOM 0 HB2 TYR A 11 -3.340 -1.103 -17.187 1.00 40.32 H new ATOM 0 HB3 TYR A 11 -4.544 0.107 -16.792 1.00 40.32 H new ATOM 0 HD1 TYR A 11 -6.009 -2.832 -18.218 1.00 4.20 H new ATOM 0 HD2 TYR A 11 -4.534 -1.200 -14.569 1.00 13.44 H new ATOM 0 HE1 TYR A 11 -7.316 -4.560 -16.909 1.00 12.33 H new ATOM 0 HE2 TYR A 11 -5.850 -2.931 -13.271 1.00 61.53 H new ATOM 0 HH TYR A 11 -7.186 -4.611 -13.380 1.00 33.22 H new ATOM 186 N GLU A 12 -4.059 0.621 -20.558 1.00 52.35 N ATOM 187 CA GLU A 12 -3.648 1.856 -21.205 1.00 24.05 C ATOM 188 C GLU A 12 -4.861 2.576 -21.796 1.00 73.31 C ATOM 189 O GLU A 12 -4.752 3.240 -22.825 1.00 54.34 O ATOM 190 CB GLU A 12 -2.592 1.587 -22.279 1.00 12.20 C ATOM 191 CG GLU A 12 -1.547 2.705 -22.313 1.00 75.51 C ATOM 192 CD GLU A 12 -0.987 2.888 -23.725 1.00 25.42 C ATOM 193 OE1 GLU A 12 -1.255 3.911 -24.371 1.00 14.42 O ATOM 194 OE2 GLU A 12 -0.245 1.920 -24.147 1.00 35.32 O ATOM 0 H GLU A 12 -4.076 -0.195 -21.169 1.00 52.35 H new ATOM 0 HA GLU A 12 -3.197 2.504 -20.453 1.00 24.05 H new ATOM 0 HB2 GLU A 12 -2.103 0.633 -22.082 1.00 12.20 H new ATOM 0 HB3 GLU A 12 -3.073 1.504 -23.254 1.00 12.20 H new ATOM 0 HG2 GLU A 12 -1.996 3.638 -21.972 1.00 75.51 H new ATOM 0 HG3 GLU A 12 -0.736 2.471 -21.624 1.00 75.51 H new ATOM 202 N GLY A 13 -5.990 2.419 -21.120 1.00 22.21 N ATOM 203 CA GLY A 13 -7.223 3.045 -21.566 1.00 3.42 C ATOM 204 C GLY A 13 -7.215 4.546 -21.265 1.00 34.43 C ATOM 205 O GLY A 13 -7.039 5.363 -22.167 1.00 64.41 O ATOM 0 H GLY A 13 -6.076 1.867 -20.267 1.00 22.21 H new ATOM 0 HA2 GLY A 13 -7.349 2.886 -22.637 1.00 3.42 H new ATOM 0 HA3 GLY A 13 -8.073 2.576 -21.071 1.00 3.42 H new ATOM 209 N GLY A 14 -7.410 4.862 -19.993 1.00 5.30 N ATOM 210 CA GLY A 14 -7.428 6.250 -19.562 1.00 24.23 C ATOM 211 C GLY A 14 -8.663 6.543 -18.708 1.00 21.43 C ATOM 212 O GLY A 14 -9.789 6.490 -19.200 1.00 41.42 O ATOM 0 H GLY A 14 -7.557 4.182 -19.247 1.00 5.30 H new ATOM 0 HA2 GLY A 14 -6.526 6.469 -18.990 1.00 24.23 H new ATOM 0 HA3 GLY A 14 -7.420 6.905 -20.433 1.00 24.23 H new ATOM 216 N GLY A 15 -8.410 6.844 -17.443 1.00 14.15 N ATOM 217 CA GLY A 15 -9.488 7.145 -16.515 1.00 50.25 C ATOM 218 C GLY A 15 -9.608 6.060 -15.443 1.00 41.41 C ATOM 219 O GLY A 15 -9.454 4.875 -15.734 1.00 54.20 O ATOM 0 H GLY A 15 -7.475 6.886 -17.038 1.00 14.15 H new ATOM 0 HA2 GLY A 15 -9.306 8.110 -16.042 1.00 50.25 H new ATOM 0 HA3 GLY A 15 -10.429 7.229 -17.059 1.00 50.25 H new ATOM 223 N GLY A 16 -9.881 6.505 -14.225 1.00 72.12 N ATOM 224 CA GLY A 16 -10.023 5.587 -13.108 1.00 34.20 C ATOM 225 C GLY A 16 -10.919 6.182 -12.020 1.00 10.24 C ATOM 226 O GLY A 16 -11.278 7.357 -12.080 1.00 55.04 O ATOM 0 H GLY A 16 -10.008 7.489 -13.988 1.00 72.12 H new ATOM 0 HA2 GLY A 16 -10.446 4.645 -13.458 1.00 34.20 H new ATOM 0 HA3 GLY A 16 -9.041 5.360 -12.692 1.00 34.20 H new ATOM 230 N GLY A 17 -11.254 5.344 -11.049 1.00 44.44 N ATOM 231 CA GLY A 17 -12.100 5.773 -9.949 1.00 53.21 C ATOM 232 C GLY A 17 -13.459 6.256 -10.459 1.00 54.42 C ATOM 233 O GLY A 17 -14.101 5.580 -11.262 1.00 14.53 O ATOM 0 H GLY A 17 -10.954 4.370 -11.002 1.00 44.44 H new ATOM 0 HA2 GLY A 17 -12.242 4.948 -9.251 1.00 53.21 H new ATOM 0 HA3 GLY A 17 -11.608 6.575 -9.398 1.00 53.21 H new ATOM 237 N GLY A 18 -13.858 7.423 -9.973 1.00 23.44 N ATOM 238 CA GLY A 18 -15.129 8.004 -10.369 1.00 41.22 C ATOM 239 C GLY A 18 -15.196 9.485 -9.991 1.00 42.45 C ATOM 240 O GLY A 18 -14.187 10.187 -10.036 1.00 43.34 O ATOM 0 H GLY A 18 -13.323 7.982 -9.308 1.00 23.44 H new ATOM 0 HA2 GLY A 18 -15.264 7.893 -11.445 1.00 41.22 H new ATOM 0 HA3 GLY A 18 -15.945 7.465 -9.888 1.00 41.22 H new ATOM 244 N GLY A 19 -16.395 9.917 -9.628 1.00 25.23 N ATOM 245 CA GLY A 19 -16.606 11.302 -9.242 1.00 73.25 C ATOM 246 C GLY A 19 -16.444 11.482 -7.732 1.00 34.43 C ATOM 247 O GLY A 19 -16.354 10.503 -6.993 1.00 34.54 O ATOM 0 H GLY A 19 -17.230 9.332 -9.593 1.00 25.23 H new ATOM 0 HA2 GLY A 19 -15.896 11.941 -9.766 1.00 73.25 H new ATOM 0 HA3 GLY A 19 -17.604 11.619 -9.544 1.00 73.25 H new ATOM 251 N GLY A 20 -16.412 12.740 -7.318 1.00 34.22 N ATOM 252 CA GLY A 20 -16.263 13.060 -5.908 1.00 40.44 C ATOM 253 C GLY A 20 -15.189 12.186 -5.258 1.00 42.21 C ATOM 254 O GLY A 20 -13.997 12.386 -5.488 1.00 52.42 O ATOM 0 H GLY A 20 -16.487 13.550 -7.934 1.00 34.22 H new ATOM 0 HA2 GLY A 20 -15.998 14.111 -5.796 1.00 40.44 H new ATOM 0 HA3 GLY A 20 -17.214 12.915 -5.396 1.00 40.44 H new ATOM 258 N SER A 21 -15.649 11.235 -4.459 1.00 13.23 N ATOM 259 CA SER A 21 -14.743 10.330 -3.773 1.00 62.45 C ATOM 260 C SER A 21 -14.135 9.343 -4.772 1.00 72.51 C ATOM 261 O SER A 21 -14.469 8.159 -4.762 1.00 73.20 O ATOM 262 CB SER A 21 -15.461 9.576 -2.652 1.00 64.11 C ATOM 263 OG SER A 21 -16.147 10.459 -1.769 1.00 41.43 O ATOM 0 H SER A 21 -16.638 11.071 -4.271 1.00 13.23 H new ATOM 0 HA SER A 21 -13.945 10.921 -3.323 1.00 62.45 H new ATOM 0 HB2 SER A 21 -16.172 8.873 -3.086 1.00 64.11 H new ATOM 0 HB3 SER A 21 -14.736 8.990 -2.087 1.00 64.11 H new ATOM 0 HG SER A 21 -16.594 9.939 -1.069 1.00 41.43 H new ATOM 269 N ALA A 22 -13.253 9.866 -5.611 1.00 12.12 N ATOM 270 CA ALA A 22 -12.596 9.046 -6.614 1.00 22.11 C ATOM 271 C ALA A 22 -11.759 7.970 -5.918 1.00 52.15 C ATOM 272 O ALA A 22 -10.598 8.201 -5.585 1.00 20.03 O ATOM 273 CB ALA A 22 -11.755 9.936 -7.531 1.00 2.43 C ATOM 0 H ALA A 22 -12.978 10.848 -5.617 1.00 12.12 H new ATOM 0 HA ALA A 22 -13.332 8.539 -7.238 1.00 22.11 H new ATOM 0 HB1 ALA A 22 -11.262 9.320 -8.283 1.00 2.43 H new ATOM 0 HB2 ALA A 22 -12.400 10.664 -8.023 1.00 2.43 H new ATOM 0 HB3 ALA A 22 -11.003 10.459 -6.941 1.00 2.43 H new ATOM 279 N ALA A 23 -12.382 6.818 -5.720 1.00 62.55 N ATOM 280 CA ALA A 23 -11.709 5.705 -5.071 1.00 11.42 C ATOM 281 C ALA A 23 -11.171 6.163 -3.714 1.00 2.23 C ATOM 282 O ALA A 23 -10.213 5.591 -3.197 1.00 23.42 O ATOM 283 CB ALA A 23 -10.605 5.171 -5.986 1.00 14.32 C ATOM 0 H ALA A 23 -13.346 6.631 -5.997 1.00 62.55 H new ATOM 0 HA ALA A 23 -12.406 4.887 -4.891 1.00 11.42 H new ATOM 0 HB1 ALA A 23 -10.101 4.336 -5.499 1.00 14.32 H new ATOM 0 HB2 ALA A 23 -11.043 4.832 -6.925 1.00 14.32 H new ATOM 0 HB3 ALA A 23 -9.884 5.963 -6.187 1.00 14.32 H new ATOM 289 N GLU A 24 -11.810 7.191 -3.175 1.00 75.04 N ATOM 290 CA GLU A 24 -11.408 7.732 -1.888 1.00 41.24 C ATOM 291 C GLU A 24 -12.248 7.117 -0.768 1.00 32.14 C ATOM 292 O GLU A 24 -12.330 7.671 0.328 1.00 42.04 O ATOM 293 CB GLU A 24 -11.514 9.258 -1.878 1.00 45.41 C ATOM 294 CG GLU A 24 -10.332 9.895 -2.613 1.00 20.21 C ATOM 295 CD GLU A 24 -9.569 10.854 -1.697 1.00 21.21 C ATOM 296 OE1 GLU A 24 -8.354 10.693 -1.505 1.00 53.32 O ATOM 297 OE2 GLU A 24 -10.282 11.794 -1.176 1.00 73.11 O ATOM 0 H GLU A 24 -12.604 7.664 -3.607 1.00 75.04 H new ATOM 0 HA GLU A 24 -10.363 7.472 -1.717 1.00 41.24 H new ATOM 0 HB2 GLU A 24 -12.448 9.564 -2.350 1.00 45.41 H new ATOM 0 HB3 GLU A 24 -11.544 9.617 -0.849 1.00 45.41 H new ATOM 0 HG2 GLU A 24 -9.659 9.116 -2.971 1.00 20.21 H new ATOM 0 HG3 GLU A 24 -10.692 10.433 -3.490 1.00 20.21 H new ATOM 305 N ALA A 25 -12.852 5.980 -1.080 1.00 23.41 N ATOM 306 CA ALA A 25 -13.683 5.283 -0.113 1.00 2.13 C ATOM 307 C ALA A 25 -13.069 3.915 0.189 1.00 23.33 C ATOM 308 O ALA A 25 -13.079 3.465 1.334 1.00 25.11 O ATOM 309 CB ALA A 25 -15.111 5.175 -0.650 1.00 51.34 C ATOM 0 H ALA A 25 -12.782 5.524 -1.990 1.00 23.41 H new ATOM 0 HA ALA A 25 -13.728 5.838 0.824 1.00 2.13 H new ATOM 0 HB1 ALA A 25 -15.734 4.652 0.076 1.00 51.34 H new ATOM 0 HB2 ALA A 25 -15.512 6.174 -0.820 1.00 51.34 H new ATOM 0 HB3 ALA A 25 -15.106 4.622 -1.589 1.00 51.34 H new ATOM 315 N TYR A 26 -12.549 3.291 -0.858 1.00 22.14 N ATOM 316 CA TYR A 26 -11.931 1.983 -0.719 1.00 35.11 C ATOM 317 C TYR A 26 -10.464 2.110 -0.305 1.00 10.32 C ATOM 318 O TYR A 26 -9.990 1.365 0.551 1.00 1.02 O ATOM 319 CB TYR A 26 -12.004 1.333 -2.102 1.00 51.42 C ATOM 320 CG TYR A 26 -10.638 1.079 -2.743 1.00 31.14 C ATOM 321 CD1 TYR A 26 -9.738 0.228 -2.134 1.00 33.12 C ATOM 322 CD2 TYR A 26 -10.306 1.701 -3.929 1.00 64.52 C ATOM 323 CE1 TYR A 26 -8.453 -0.012 -2.737 1.00 3.35 C ATOM 324 CE2 TYR A 26 -9.020 1.461 -4.532 1.00 21.00 C ATOM 325 CZ TYR A 26 -8.157 0.617 -3.906 1.00 21.22 C ATOM 326 OH TYR A 26 -6.943 0.391 -4.475 1.00 63.51 O ATOM 0 H TYR A 26 -12.543 3.667 -1.806 1.00 22.14 H new ATOM 0 HA TYR A 26 -12.441 1.397 0.046 1.00 35.11 H new ATOM 0 HB2 TYR A 26 -12.537 0.386 -2.019 1.00 51.42 H new ATOM 0 HB3 TYR A 26 -12.590 1.972 -2.762 1.00 51.42 H new ATOM 0 HD1 TYR A 26 -9.998 -0.258 -1.205 1.00 33.12 H new ATOM 0 HD2 TYR A 26 -11.010 2.368 -4.405 1.00 64.52 H new ATOM 0 HE1 TYR A 26 -7.740 -0.677 -2.272 1.00 3.35 H new ATOM 0 HE2 TYR A 26 -8.747 1.941 -5.460 1.00 21.00 H new ATOM 0 HH TYR A 26 -6.870 0.905 -5.306 1.00 63.51 H new ATOM 336 N ALA A 27 -9.786 3.060 -0.932 1.00 2.23 N ATOM 337 CA ALA A 27 -8.382 3.295 -0.639 1.00 60.10 C ATOM 338 C ALA A 27 -8.245 3.824 0.790 1.00 21.31 C ATOM 339 O ALA A 27 -7.140 3.893 1.327 1.00 33.50 O ATOM 340 CB ALA A 27 -7.798 4.257 -1.675 1.00 53.24 C ATOM 0 H ALA A 27 -10.183 3.676 -1.642 1.00 2.23 H new ATOM 0 HA ALA A 27 -7.816 2.365 -0.702 1.00 60.10 H new ATOM 0 HB1 ALA A 27 -6.745 4.433 -1.455 1.00 53.24 H new ATOM 0 HB2 ALA A 27 -7.893 3.822 -2.670 1.00 53.24 H new ATOM 0 HB3 ALA A 27 -8.339 5.202 -1.639 1.00 53.24 H new ATOM 346 N LYS A 28 -9.383 4.184 1.365 1.00 23.25 N ATOM 347 CA LYS A 28 -9.403 4.704 2.722 1.00 55.31 C ATOM 348 C LYS A 28 -9.340 3.539 3.712 1.00 53.33 C ATOM 349 O LYS A 28 -8.349 3.376 4.421 1.00 64.42 O ATOM 350 CB LYS A 28 -10.612 5.620 2.926 1.00 33.20 C ATOM 351 CG LYS A 28 -11.040 5.644 4.395 1.00 71.22 C ATOM 352 CD LYS A 28 -12.169 6.651 4.621 1.00 51.43 C ATOM 353 CE LYS A 28 -12.248 7.066 6.091 1.00 2.03 C ATOM 354 NZ LYS A 28 -11.935 8.505 6.241 1.00 34.15 N ATOM 0 H LYS A 28 -10.297 4.126 0.917 1.00 23.25 H new ATOM 0 HA LYS A 28 -8.526 5.325 2.905 1.00 55.31 H new ATOM 0 HB2 LYS A 28 -10.367 6.630 2.598 1.00 33.20 H new ATOM 0 HB3 LYS A 28 -11.441 5.277 2.307 1.00 33.20 H new ATOM 0 HG2 LYS A 28 -11.369 4.650 4.698 1.00 71.22 H new ATOM 0 HG3 LYS A 28 -10.187 5.902 5.022 1.00 71.22 H new ATOM 0 HD2 LYS A 28 -12.006 7.531 3.999 1.00 51.43 H new ATOM 0 HD3 LYS A 28 -13.118 6.214 4.311 1.00 51.43 H new ATOM 0 HE2 LYS A 28 -13.246 6.862 6.479 1.00 2.03 H new ATOM 0 HE3 LYS A 28 -11.549 6.472 6.681 1.00 2.03 H new ATOM 0 HZ1 LYS A 28 -11.993 8.770 7.245 1.00 34.15 H new ATOM 0 HZ2 LYS A 28 -10.974 8.690 5.889 1.00 34.15 H new ATOM 0 HZ3 LYS A 28 -12.618 9.068 5.694 1.00 34.15 H new ATOM 367 N ARG A 29 -10.411 2.760 3.728 1.00 35.20 N ATOM 368 CA ARG A 29 -10.490 1.615 4.619 1.00 32.31 C ATOM 369 C ARG A 29 -9.240 0.744 4.476 1.00 75.31 C ATOM 370 O ARG A 29 -8.687 0.278 5.471 1.00 43.13 O ATOM 371 CB ARG A 29 -11.730 0.769 4.321 1.00 62.02 C ATOM 372 CG ARG A 29 -12.951 1.656 4.070 1.00 71.24 C ATOM 373 CD ARG A 29 -14.248 0.894 4.348 1.00 75.14 C ATOM 374 NE ARG A 29 -15.398 1.826 4.326 1.00 44.31 N ATOM 375 CZ ARG A 29 -16.689 1.436 4.362 1.00 15.31 C ATOM 376 NH1 ARG A 29 -17.008 0.126 4.422 1.00 32.23 N ATOM 377 NH2 ARG A 29 -17.636 2.356 4.338 1.00 75.43 N ATOM 0 H ARG A 29 -11.232 2.899 3.138 1.00 35.20 H new ATOM 0 HA ARG A 29 -10.559 1.993 5.639 1.00 32.31 H new ATOM 0 HB2 ARG A 29 -11.546 0.142 3.449 1.00 62.02 H new ATOM 0 HB3 ARG A 29 -11.928 0.100 5.158 1.00 62.02 H new ATOM 0 HG2 ARG A 29 -12.900 2.539 4.707 1.00 71.24 H new ATOM 0 HG3 ARG A 29 -12.945 2.006 3.038 1.00 71.24 H new ATOM 0 HD2 ARG A 29 -14.388 0.113 3.600 1.00 75.14 H new ATOM 0 HD3 ARG A 29 -14.188 0.400 5.318 1.00 75.14 H new ATOM 0 HE ARG A 29 -15.202 2.826 4.281 1.00 44.31 H new ATOM 0 HH11 ARG A 29 -16.270 -0.578 4.440 1.00 32.23 H new ATOM 0 HH12 ARG A 29 -17.987 -0.160 4.449 1.00 32.23 H new ATOM 0 HH21 ARG A 29 -17.386 3.344 4.293 1.00 75.43 H new ATOM 0 HH22 ARG A 29 -18.617 2.079 4.365 1.00 75.43 H new ATOM 390 N ILE A 30 -8.833 0.550 3.230 1.00 22.23 N ATOM 391 CA ILE A 30 -7.659 -0.257 2.944 1.00 23.01 C ATOM 392 C ILE A 30 -6.604 -0.016 4.026 1.00 61.51 C ATOM 393 O ILE A 30 -5.862 -0.928 4.388 1.00 31.33 O ATOM 394 CB ILE A 30 -7.156 0.013 1.524 1.00 32.24 C ATOM 395 CG1 ILE A 30 -8.146 -0.514 0.483 1.00 10.31 C ATOM 396 CG2 ILE A 30 -5.752 -0.560 1.322 1.00 71.14 C ATOM 397 CD1 ILE A 30 -7.635 -1.807 -0.154 1.00 60.41 C ATOM 0 H ILE A 30 -9.295 0.938 2.407 1.00 22.23 H new ATOM 0 HA ILE A 30 -7.910 -1.317 2.973 1.00 23.01 H new ATOM 0 HB ILE A 30 -7.086 1.092 1.385 1.00 32.24 H new ATOM 0 HG12 ILE A 30 -9.113 -0.694 0.953 1.00 10.31 H new ATOM 0 HG13 ILE A 30 -8.302 0.239 -0.289 1.00 10.31 H new ATOM 0 HG21 ILE A 30 -5.418 -0.355 0.305 1.00 71.14 H new ATOM 0 HG22 ILE A 30 -5.065 -0.097 2.030 1.00 71.14 H new ATOM 0 HG23 ILE A 30 -5.771 -1.637 1.487 1.00 71.14 H new ATOM 0 HD11 ILE A 30 -8.357 -2.160 -0.890 1.00 60.41 H new ATOM 0 HD12 ILE A 30 -6.680 -1.618 -0.644 1.00 60.41 H new ATOM 0 HD13 ILE A 30 -7.503 -2.565 0.618 1.00 60.41 H new ATOM 409 N ALA A 31 -6.571 1.216 4.511 1.00 23.24 N ATOM 410 CA ALA A 31 -5.619 1.588 5.545 1.00 70.25 C ATOM 411 C ALA A 31 -5.757 0.628 6.728 1.00 2.21 C ATOM 412 O ALA A 31 -4.786 -0.012 7.129 1.00 2.55 O ATOM 413 CB ALA A 31 -5.846 3.046 5.947 1.00 53.31 C ATOM 0 H ALA A 31 -7.188 1.970 4.208 1.00 23.24 H new ATOM 0 HA ALA A 31 -4.597 1.508 5.173 1.00 70.25 H new ATOM 0 HB1 ALA A 31 -5.132 3.325 6.722 1.00 53.31 H new ATOM 0 HB2 ALA A 31 -5.707 3.689 5.078 1.00 53.31 H new ATOM 0 HB3 ALA A 31 -6.860 3.165 6.328 1.00 53.31 H new ATOM 419 N GLU A 32 -6.971 0.558 7.254 1.00 41.12 N ATOM 420 CA GLU A 32 -7.248 -0.313 8.383 1.00 12.24 C ATOM 421 C GLU A 32 -6.799 -1.742 8.074 1.00 32.44 C ATOM 422 O GLU A 32 -6.100 -2.364 8.873 1.00 14.24 O ATOM 423 CB GLU A 32 -8.732 -0.272 8.756 1.00 64.44 C ATOM 424 CG GLU A 32 -9.516 -1.349 8.002 1.00 44.53 C ATOM 425 CD GLU A 32 -10.987 -1.349 8.420 1.00 33.13 C ATOM 426 OE1 GLU A 32 -11.384 -0.563 9.294 1.00 62.15 O ATOM 427 OE2 GLU A 32 -11.729 -2.205 7.803 1.00 55.44 O ATOM 0 H GLU A 32 -7.774 1.090 6.919 1.00 41.12 H new ATOM 0 HA GLU A 32 -6.681 0.047 9.242 1.00 12.24 H new ATOM 0 HB2 GLU A 32 -8.845 -0.419 9.830 1.00 64.44 H new ATOM 0 HB3 GLU A 32 -9.142 0.711 8.524 1.00 64.44 H new ATOM 0 HG2 GLU A 32 -9.439 -1.176 6.929 1.00 44.53 H new ATOM 0 HG3 GLU A 32 -9.078 -2.328 8.199 1.00 44.53 H new ATOM 435 N ALA A 33 -7.219 -2.222 6.913 1.00 30.51 N ATOM 436 CA ALA A 33 -6.869 -3.567 6.489 1.00 62.34 C ATOM 437 C ALA A 33 -5.358 -3.763 6.625 1.00 24.21 C ATOM 438 O ALA A 33 -4.906 -4.683 7.306 1.00 12.53 O ATOM 439 CB ALA A 33 -7.359 -3.795 5.057 1.00 34.03 C ATOM 0 H ALA A 33 -7.798 -1.704 6.253 1.00 30.51 H new ATOM 0 HA ALA A 33 -7.356 -4.308 7.123 1.00 62.34 H new ATOM 0 HB1 ALA A 33 -7.096 -4.804 4.739 1.00 34.03 H new ATOM 0 HB2 ALA A 33 -8.441 -3.673 5.019 1.00 34.03 H new ATOM 0 HB3 ALA A 33 -6.889 -3.071 4.392 1.00 34.03 H new ATOM 445 N MET A 34 -4.617 -2.884 5.966 1.00 12.13 N ATOM 446 CA MET A 34 -3.166 -2.949 6.006 1.00 51.45 C ATOM 447 C MET A 34 -2.646 -2.745 7.430 1.00 15.41 C ATOM 448 O MET A 34 -1.477 -3.001 7.711 1.00 62.43 O ATOM 449 CB MET A 34 -2.582 -1.871 5.090 1.00 60.23 C ATOM 450 CG MET A 34 -2.947 -2.137 3.628 1.00 61.52 C ATOM 451 SD MET A 34 -1.575 -1.710 2.569 1.00 72.04 S ATOM 452 CE MET A 34 -1.411 -3.229 1.646 1.00 70.12 C ATOM 0 H MET A 34 -4.994 -2.123 5.401 1.00 12.13 H new ATOM 0 HA MET A 34 -2.856 -3.937 5.665 1.00 51.45 H new ATOM 0 HB2 MET A 34 -2.956 -0.892 5.390 1.00 60.23 H new ATOM 0 HB3 MET A 34 -1.498 -1.845 5.199 1.00 60.23 H new ATOM 0 HG2 MET A 34 -3.207 -3.187 3.495 1.00 61.52 H new ATOM 0 HG3 MET A 34 -3.825 -1.554 3.352 1.00 61.52 H new ATOM 0 HE1 MET A 34 -0.592 -3.135 0.933 1.00 70.12 H new ATOM 0 HE2 MET A 34 -1.202 -4.050 2.331 1.00 70.12 H new ATOM 0 HE3 MET A 34 -2.338 -3.431 1.110 1.00 70.12 H new ATOM 462 N ALA A 35 -3.541 -2.285 8.292 1.00 14.40 N ATOM 463 CA ALA A 35 -3.188 -2.043 9.681 1.00 61.24 C ATOM 464 C ALA A 35 -3.726 -3.185 10.545 1.00 22.13 C ATOM 465 O ALA A 35 -4.645 -3.895 10.140 1.00 31.15 O ATOM 466 CB ALA A 35 -3.727 -0.679 10.115 1.00 13.01 C ATOM 0 H ALA A 35 -4.510 -2.073 8.055 1.00 14.40 H new ATOM 0 HA ALA A 35 -2.105 -2.019 9.803 1.00 61.24 H new ATOM 0 HB1 ALA A 35 -3.462 -0.498 11.157 1.00 13.01 H new ATOM 0 HB2 ALA A 35 -3.292 0.100 9.489 1.00 13.01 H new ATOM 0 HB3 ALA A 35 -4.812 -0.666 10.009 1.00 13.01 H new ATOM 472 N LYS A 36 -3.130 -3.327 11.720 1.00 2.40 N ATOM 473 CA LYS A 36 -3.537 -4.370 12.645 1.00 35.13 C ATOM 474 C LYS A 36 -4.557 -3.800 13.633 1.00 2.25 C ATOM 475 O LYS A 36 -4.716 -2.584 13.735 1.00 62.35 O ATOM 476 CB LYS A 36 -2.315 -4.998 13.317 1.00 63.30 C ATOM 477 CG LYS A 36 -1.926 -6.310 12.632 1.00 73.11 C ATOM 478 CD LYS A 36 -1.158 -7.223 13.590 1.00 12.32 C ATOM 479 CE LYS A 36 0.297 -6.771 13.729 1.00 11.14 C ATOM 480 NZ LYS A 36 1.097 -7.236 12.574 1.00 13.11 N ATOM 0 H LYS A 36 -2.368 -2.736 12.052 1.00 2.40 H new ATOM 0 HA LYS A 36 -4.030 -5.182 12.110 1.00 35.13 H new ATOM 0 HB2 LYS A 36 -1.477 -4.302 13.280 1.00 63.30 H new ATOM 0 HB3 LYS A 36 -2.529 -5.183 14.370 1.00 63.30 H new ATOM 0 HG2 LYS A 36 -2.823 -6.820 12.279 1.00 73.11 H new ATOM 0 HG3 LYS A 36 -1.313 -6.099 11.756 1.00 73.11 H new ATOM 0 HD2 LYS A 36 -1.639 -7.217 14.568 1.00 12.32 H new ATOM 0 HD3 LYS A 36 -1.190 -8.249 13.225 1.00 12.32 H new ATOM 0 HE2 LYS A 36 0.341 -5.684 13.796 1.00 11.14 H new ATOM 0 HE3 LYS A 36 0.719 -7.165 14.654 1.00 11.14 H new ATOM 0 HZ1 LYS A 36 2.073 -7.424 12.881 1.00 13.11 H new ATOM 0 HZ2 LYS A 36 0.680 -8.109 12.192 1.00 13.11 H new ATOM 0 HZ3 LYS A 36 1.101 -6.502 11.837 1.00 13.11 H new ATOM 493 N GLY A 37 -5.221 -4.705 14.338 1.00 41.45 N ATOM 494 CA GLY A 37 -6.221 -4.307 15.314 1.00 5.22 C ATOM 495 C GLY A 37 -7.573 -4.954 15.010 1.00 61.45 C ATOM 496 O GLY A 37 -7.699 -6.178 15.033 1.00 43.32 O ATOM 0 H GLY A 37 -5.086 -5.712 14.252 1.00 41.45 H new ATOM 0 HA2 GLY A 37 -5.893 -4.594 16.313 1.00 5.22 H new ATOM 0 HA3 GLY A 37 -6.325 -3.222 15.312 1.00 5.22 H new TER 500 GLY A 37