USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=7 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+ 131:sc= 0.0886 (180deg=-0.0482) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00228 X(o=-0.0023,f=-0.16) 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 -0.770 2.083 -25.375 1.00 52.02 N ATOM 2 CA ARG A 1 -2.118 2.390 -24.927 1.00 2.21 C ATOM 3 C ARG A 1 -2.890 1.100 -24.644 1.00 10.12 C ATOM 4 O ARG A 1 -2.506 0.028 -25.109 1.00 74.01 O ATOM 5 CB ARG A 1 -2.874 3.209 -25.975 1.00 44.22 C ATOM 6 CG ARG A 1 -3.024 2.424 -27.280 1.00 12.50 C ATOM 7 CD ARG A 1 -4.052 3.085 -28.202 1.00 24.14 C ATOM 8 NE ARG A 1 -5.146 2.135 -28.502 1.00 51.21 N ATOM 9 CZ ARG A 1 -6.241 1.972 -27.729 1.00 4.43 C ATOM 10 NH1 ARG A 1 -6.396 2.696 -26.600 1.00 4.13 N ATOM 11 NH2 ARG A 1 -7.157 1.095 -28.093 1.00 22.31 N ATOM 0 H1 ARG A 1 -0.559 2.626 -26.237 1.00 52.02 H new ATOM 0 H2 ARG A 1 -0.090 2.337 -24.630 1.00 52.02 H new ATOM 0 H3 ARG A 1 -0.695 1.066 -25.579 1.00 52.02 H new ATOM 0 HA ARG A 1 -2.037 2.977 -24.012 1.00 2.21 H new ATOM 0 HB2 ARG A 1 -3.859 3.476 -25.592 1.00 44.22 H new ATOM 0 HB3 ARG A 1 -2.342 4.141 -26.166 1.00 44.22 H new ATOM 0 HG2 ARG A 1 -2.060 2.365 -27.786 1.00 12.50 H new ATOM 0 HG3 ARG A 1 -3.331 1.402 -27.060 1.00 12.50 H new ATOM 0 HD2 ARG A 1 -4.456 3.980 -27.728 1.00 24.14 H new ATOM 0 HD3 ARG A 1 -3.572 3.403 -29.127 1.00 24.14 H new ATOM 0 HE ARG A 1 -5.068 1.567 -29.346 1.00 51.21 H new ATOM 0 HH11 ARG A 1 -5.683 3.372 -26.326 1.00 4.13 H new ATOM 0 HH12 ARG A 1 -7.226 2.567 -26.021 1.00 4.13 H new ATOM 0 HH21 ARG A 1 -7.032 0.552 -28.947 1.00 22.31 H new ATOM 0 HH22 ARG A 1 -7.990 0.960 -27.520 1.00 22.31 H new ATOM 24 N GLY A 2 -3.964 1.246 -23.882 1.00 52.11 N ATOM 25 CA GLY A 2 -4.794 0.106 -23.531 1.00 63.24 C ATOM 26 C GLY A 2 -4.928 -0.028 -22.013 1.00 73.22 C ATOM 27 O GLY A 2 -5.017 0.973 -21.304 1.00 20.44 O ATOM 0 H GLY A 2 -4.279 2.137 -23.498 1.00 52.11 H new ATOM 0 HA2 GLY A 2 -5.782 0.219 -23.978 1.00 63.24 H new ATOM 0 HA3 GLY A 2 -4.360 -0.805 -23.943 1.00 63.24 H new ATOM 31 N LYS A 3 -4.939 -1.273 -21.560 1.00 13.03 N ATOM 32 CA LYS A 3 -5.062 -1.551 -20.139 1.00 4.23 C ATOM 33 C LYS A 3 -3.727 -2.080 -19.610 1.00 61.23 C ATOM 34 O LYS A 3 -3.372 -3.232 -19.854 1.00 65.23 O ATOM 35 CB LYS A 3 -6.242 -2.488 -19.876 1.00 13.44 C ATOM 36 CG LYS A 3 -6.236 -3.665 -20.852 1.00 71.33 C ATOM 37 CD LYS A 3 -7.250 -3.450 -21.978 1.00 0.43 C ATOM 38 CE LYS A 3 -8.043 -4.729 -22.254 1.00 3.31 C ATOM 39 NZ LYS A 3 -8.113 -4.991 -23.709 1.00 14.41 N ATOM 0 H LYS A 3 -4.865 -2.100 -22.152 1.00 13.03 H new ATOM 0 HA LYS A 3 -5.283 -0.636 -19.590 1.00 4.23 H new ATOM 0 HB2 LYS A 3 -6.195 -2.860 -18.852 1.00 13.44 H new ATOM 0 HB3 LYS A 3 -7.177 -1.936 -19.972 1.00 13.44 H new ATOM 0 HG2 LYS A 3 -5.239 -3.786 -21.274 1.00 71.33 H new ATOM 0 HG3 LYS A 3 -6.470 -4.586 -20.318 1.00 71.33 H new ATOM 0 HD2 LYS A 3 -7.934 -2.645 -21.708 1.00 0.43 H new ATOM 0 HD3 LYS A 3 -6.731 -3.137 -22.884 1.00 0.43 H new ATOM 0 HE2 LYS A 3 -7.572 -5.572 -21.749 1.00 3.31 H new ATOM 0 HE3 LYS A 3 -9.050 -4.635 -21.846 1.00 3.31 H new ATOM 0 HZ1 LYS A 3 -8.654 -5.862 -23.879 1.00 14.41 H new ATOM 0 HZ2 LYS A 3 -8.583 -4.193 -24.183 1.00 14.41 H new ATOM 0 HZ3 LYS A 3 -7.151 -5.102 -24.089 1.00 14.41 H new ATOM 52 N TRP A 4 -3.024 -1.213 -18.896 1.00 70.41 N ATOM 53 CA TRP A 4 -1.736 -1.579 -18.331 1.00 73.21 C ATOM 54 C TRP A 4 -1.946 -1.910 -16.852 1.00 3.10 C ATOM 55 O TRP A 4 -1.964 -1.015 -16.009 1.00 13.43 O ATOM 56 CB TRP A 4 -0.705 -0.472 -18.556 1.00 25.11 C ATOM 57 CG TRP A 4 -1.141 0.900 -18.038 1.00 71.12 C ATOM 58 CD1 TRP A 4 -1.799 1.861 -18.701 1.00 64.13 C ATOM 59 CD2 TRP A 4 -0.923 1.428 -16.713 1.00 32.12 C ATOM 60 NE1 TRP A 4 -2.019 2.965 -17.904 1.00 15.43 N ATOM 61 CE2 TRP A 4 -1.470 2.694 -16.656 1.00 73.50 C ATOM 62 CE3 TRP A 4 -0.285 0.855 -15.599 1.00 20.03 C ATOM 63 CZ2 TRP A 4 -1.435 3.493 -15.508 1.00 4.35 C ATOM 64 CZ3 TRP A 4 -0.258 1.667 -14.459 1.00 3.14 C ATOM 65 CH2 TRP A 4 -0.804 2.943 -14.385 1.00 43.34 C ATOM 0 H TRP A 4 -3.322 -0.258 -18.696 1.00 70.41 H new ATOM 0 HA TRP A 4 -1.331 -2.459 -18.830 1.00 73.21 H new ATOM 0 HB2 TRP A 4 0.228 -0.754 -18.067 1.00 25.11 H new ATOM 0 HB3 TRP A 4 -0.496 -0.396 -19.623 1.00 25.11 H new ATOM 0 HD1 TRP A 4 -2.117 1.781 -19.730 1.00 64.13 H new ATOM 0 HE1 TRP A 4 -2.497 3.823 -18.180 1.00 15.43 H new ATOM 0 HE3 TRP A 4 0.150 -0.133 -15.621 1.00 20.03 H new ATOM 0 HZ2 TRP A 4 -1.871 4.481 -15.489 1.00 4.35 H new ATOM 0 HZ3 TRP A 4 0.221 1.274 -13.574 1.00 3.14 H new ATOM 0 HH2 TRP A 4 -0.742 3.507 -13.466 1.00 43.34 H new ATOM 76 N THR A 5 -2.098 -3.198 -16.582 1.00 71.04 N ATOM 77 CA THR A 5 -2.305 -3.658 -15.220 1.00 35.12 C ATOM 78 C THR A 5 -1.100 -3.302 -14.348 1.00 20.25 C ATOM 79 O THR A 5 0.043 -3.413 -14.787 1.00 44.25 O ATOM 80 CB THR A 5 -2.599 -5.159 -15.267 1.00 55.20 C ATOM 81 OG1 THR A 5 -3.998 -5.230 -15.530 1.00 32.43 O ATOM 82 CG2 THR A 5 -2.442 -5.830 -13.901 1.00 12.41 C ATOM 0 H THR A 5 -2.082 -3.938 -17.284 1.00 71.04 H new ATOM 0 HA THR A 5 -3.158 -3.160 -14.760 1.00 35.12 H new ATOM 0 HB THR A 5 -1.932 -5.637 -15.984 1.00 55.20 H new ATOM 0 HG1 THR A 5 -4.275 -6.169 -15.578 1.00 32.43 H new ATOM 0 HG21 THR A 5 -2.662 -6.894 -13.991 1.00 12.41 H new ATOM 0 HG22 THR A 5 -1.419 -5.700 -13.547 1.00 12.41 H new ATOM 0 HG23 THR A 5 -3.133 -5.375 -13.191 1.00 12.41 H new ATOM 90 N TYR A 6 -1.397 -2.882 -13.127 1.00 21.24 N ATOM 91 CA TYR A 6 -0.352 -2.509 -12.189 1.00 23.45 C ATOM 92 C TYR A 6 -0.527 -3.237 -10.854 1.00 73.22 C ATOM 93 O TYR A 6 -1.342 -2.833 -10.025 1.00 64.53 O ATOM 94 CB TYR A 6 -0.508 -1.005 -11.960 1.00 4.34 C ATOM 95 CG TYR A 6 0.589 -0.391 -11.087 1.00 62.12 C ATOM 96 CD1 TYR A 6 1.917 -0.632 -11.377 1.00 0.20 C ATOM 97 CD2 TYR A 6 0.251 0.403 -10.010 1.00 40.14 C ATOM 98 CE1 TYR A 6 2.949 -0.054 -10.556 1.00 24.21 C ATOM 99 CE2 TYR A 6 1.283 0.981 -9.189 1.00 64.43 C ATOM 100 CZ TYR A 6 2.582 0.724 -9.503 1.00 34.54 C ATOM 101 OH TYR A 6 3.557 1.269 -8.727 1.00 73.01 O ATOM 0 H TYR A 6 -2.347 -2.792 -12.766 1.00 21.24 H new ATOM 0 HA TYR A 6 0.629 -2.772 -12.584 1.00 23.45 H new ATOM 0 HB2 TYR A 6 -0.515 -0.500 -12.926 1.00 4.34 H new ATOM 0 HB3 TYR A 6 -1.476 -0.817 -11.495 1.00 4.34 H new ATOM 0 HD1 TYR A 6 2.182 -1.254 -12.219 1.00 0.20 H new ATOM 0 HD2 TYR A 6 -0.788 0.591 -9.783 1.00 40.14 H new ATOM 0 HE1 TYR A 6 3.992 -0.234 -10.772 1.00 24.21 H new ATOM 0 HE2 TYR A 6 1.032 1.604 -8.343 1.00 64.43 H new ATOM 0 HH TYR A 6 3.148 1.801 -8.013 1.00 73.01 H new ATOM 111 N ASN A 7 0.250 -4.297 -10.688 1.00 72.30 N ATOM 112 CA ASN A 7 0.190 -5.085 -9.469 1.00 23.15 C ATOM 113 C ASN A 7 -1.214 -5.674 -9.315 1.00 5.33 C ATOM 114 O ASN A 7 -1.825 -5.561 -8.253 1.00 42.03 O ATOM 115 CB ASN A 7 0.478 -4.220 -8.240 1.00 34.24 C ATOM 116 CG ASN A 7 1.980 -4.144 -7.962 1.00 43.21 C ATOM 117 OD1 ASN A 7 2.795 -3.971 -8.854 1.00 54.01 O ATOM 118 ND2 ASN A 7 2.301 -4.282 -6.679 1.00 1.32 N ATOM 0 H ASN A 7 0.925 -4.629 -11.378 1.00 72.30 H new ATOM 0 HA ASN A 7 0.940 -5.873 -9.540 1.00 23.15 H new ATOM 0 HB2 ASN A 7 0.082 -3.216 -8.397 1.00 34.24 H new ATOM 0 HB3 ASN A 7 -0.036 -4.633 -7.372 1.00 34.24 H new ATOM 0 HD21 ASN A 7 3.279 -4.246 -6.391 1.00 1.32 H new ATOM 0 HD22 ASN A 7 1.569 -4.424 -5.983 1.00 1.32 H new ATOM 125 N GLY A 8 -1.684 -6.289 -10.390 1.00 4.12 N ATOM 126 CA GLY A 8 -3.004 -6.895 -10.388 1.00 30.44 C ATOM 127 C GLY A 8 -4.068 -5.895 -10.843 1.00 41.44 C ATOM 128 O GLY A 8 -4.810 -6.159 -11.788 1.00 31.22 O ATOM 0 H GLY A 8 -1.174 -6.381 -11.269 1.00 4.12 H new ATOM 0 HA2 GLY A 8 -3.010 -7.763 -11.047 1.00 30.44 H new ATOM 0 HA3 GLY A 8 -3.242 -7.254 -9.387 1.00 30.44 H new ATOM 132 N ILE A 9 -4.108 -4.766 -10.151 1.00 11.13 N ATOM 133 CA ILE A 9 -5.069 -3.724 -10.472 1.00 63.24 C ATOM 134 C ILE A 9 -5.211 -3.619 -11.992 1.00 61.31 C ATOM 135 O ILE A 9 -4.214 -3.566 -12.710 1.00 63.43 O ATOM 136 CB ILE A 9 -4.677 -2.407 -9.799 1.00 63.50 C ATOM 137 CG1 ILE A 9 -5.896 -1.728 -9.172 1.00 21.33 C ATOM 138 CG2 ILE A 9 -3.948 -1.486 -10.779 1.00 53.14 C ATOM 139 CD1 ILE A 9 -6.789 -2.749 -8.464 1.00 62.52 C ATOM 0 H ILE A 9 -3.490 -4.550 -9.369 1.00 11.13 H new ATOM 0 HA ILE A 9 -6.052 -3.977 -10.075 1.00 63.24 H new ATOM 0 HB ILE A 9 -3.982 -2.630 -8.990 1.00 63.50 H new ATOM 0 HG12 ILE A 9 -5.569 -0.970 -8.460 1.00 21.33 H new ATOM 0 HG13 ILE A 9 -6.468 -1.214 -9.944 1.00 21.33 H new ATOM 0 HG21 ILE A 9 -3.681 -0.557 -10.275 1.00 53.14 H new ATOM 0 HG22 ILE A 9 -3.044 -1.978 -11.137 1.00 53.14 H new ATOM 0 HG23 ILE A 9 -4.600 -1.266 -11.625 1.00 53.14 H new ATOM 0 HD11 ILE A 9 -7.648 -2.240 -8.027 1.00 62.52 H new ATOM 0 HD12 ILE A 9 -7.134 -3.491 -9.184 1.00 62.52 H new ATOM 0 HD13 ILE A 9 -6.222 -3.244 -7.676 1.00 62.52 H new ATOM 151 N THR A 10 -6.459 -3.592 -12.437 1.00 65.32 N ATOM 152 CA THR A 10 -6.744 -3.495 -13.859 1.00 11.34 C ATOM 153 C THR A 10 -7.185 -2.074 -14.217 1.00 73.45 C ATOM 154 O THR A 10 -8.196 -1.588 -13.713 1.00 34.41 O ATOM 155 CB THR A 10 -7.785 -4.560 -14.206 1.00 34.51 C ATOM 156 OG1 THR A 10 -7.515 -5.621 -13.293 1.00 42.40 O ATOM 157 CG2 THR A 10 -7.548 -5.184 -15.583 1.00 22.54 C ATOM 0 H THR A 10 -7.284 -3.636 -11.838 1.00 65.32 H new ATOM 0 HA THR A 10 -5.852 -3.686 -14.456 1.00 11.34 H new ATOM 0 HB THR A 10 -8.781 -4.117 -14.174 1.00 34.51 H new ATOM 0 HG1 THR A 10 -8.147 -6.354 -13.448 1.00 42.40 H new ATOM 0 HG21 THR A 10 -8.315 -5.933 -15.780 1.00 22.54 H new ATOM 0 HG22 THR A 10 -7.595 -4.408 -16.347 1.00 22.54 H new ATOM 0 HG23 THR A 10 -6.566 -5.656 -15.604 1.00 22.54 H new ATOM 165 N TYR A 11 -6.405 -1.449 -15.086 1.00 52.44 N ATOM 166 CA TYR A 11 -6.703 -0.094 -15.519 1.00 3.42 C ATOM 167 C TYR A 11 -7.270 -0.084 -16.940 1.00 2.42 C ATOM 168 O TYR A 11 -6.604 -0.512 -17.881 1.00 23.21 O ATOM 169 CB TYR A 11 -5.368 0.655 -15.510 1.00 32.52 C ATOM 170 CG TYR A 11 -4.932 1.133 -14.124 1.00 14.05 C ATOM 171 CD1 TYR A 11 -5.518 0.599 -12.994 1.00 24.24 C ATOM 172 CD2 TYR A 11 -3.954 2.099 -14.003 1.00 20.02 C ATOM 173 CE1 TYR A 11 -5.108 1.049 -11.689 1.00 5.22 C ATOM 174 CE2 TYR A 11 -3.544 2.549 -12.698 1.00 42.41 C ATOM 175 CZ TYR A 11 -4.141 2.002 -11.605 1.00 41.34 C ATOM 176 OH TYR A 11 -3.753 2.428 -10.373 1.00 75.31 O ATOM 0 H TYR A 11 -5.567 -1.855 -15.502 1.00 52.44 H new ATOM 0 HA TYR A 11 -7.444 0.364 -14.864 1.00 3.42 H new ATOM 0 HB2 TYR A 11 -4.595 0.004 -15.918 1.00 32.52 H new ATOM 0 HB3 TYR A 11 -5.442 1.517 -16.174 1.00 32.52 H new ATOM 0 HD1 TYR A 11 -6.284 -0.156 -13.089 1.00 24.24 H new ATOM 0 HD2 TYR A 11 -3.496 2.518 -14.887 1.00 20.02 H new ATOM 0 HE1 TYR A 11 -5.558 0.639 -10.797 1.00 5.22 H new ATOM 0 HE2 TYR A 11 -2.779 3.304 -12.589 1.00 42.41 H new ATOM 0 HH TYR A 11 -3.055 3.109 -10.467 1.00 75.31 H new ATOM 186 N GLU A 12 -8.494 0.410 -17.051 1.00 12.34 N ATOM 187 CA GLU A 12 -9.159 0.482 -18.341 1.00 25.21 C ATOM 188 C GLU A 12 -8.524 1.574 -19.205 1.00 33.14 C ATOM 189 O GLU A 12 -7.846 2.461 -18.690 1.00 43.40 O ATOM 190 CB GLU A 12 -10.660 0.720 -18.172 1.00 34.40 C ATOM 191 CG GLU A 12 -11.467 -0.183 -19.108 1.00 51.30 C ATOM 192 CD GLU A 12 -12.833 -0.516 -18.505 1.00 73.33 C ATOM 193 OE1 GLU A 12 -13.407 0.307 -17.776 1.00 60.35 O ATOM 194 OE2 GLU A 12 -13.299 -1.678 -18.819 1.00 4.21 O ATOM 0 H GLU A 12 -9.043 0.765 -16.268 1.00 12.34 H new ATOM 0 HA GLU A 12 -9.032 -0.475 -18.847 1.00 25.21 H new ATOM 0 HB2 GLU A 12 -10.948 0.529 -17.138 1.00 34.40 H new ATOM 0 HB3 GLU A 12 -10.892 1.765 -18.379 1.00 34.40 H new ATOM 0 HG2 GLU A 12 -11.601 0.311 -20.070 1.00 51.30 H new ATOM 0 HG3 GLU A 12 -10.915 -1.103 -19.297 1.00 51.30 H new ATOM 202 N GLY A 13 -8.768 1.473 -20.503 1.00 62.11 N ATOM 203 CA GLY A 13 -8.229 2.441 -21.443 1.00 40.11 C ATOM 204 C GLY A 13 -9.060 3.726 -21.443 1.00 43.05 C ATOM 205 O GLY A 13 -10.270 3.687 -21.658 1.00 33.34 O ATOM 0 H GLY A 13 -9.332 0.736 -20.926 1.00 62.11 H new ATOM 0 HA2 GLY A 13 -7.196 2.671 -21.181 1.00 40.11 H new ATOM 0 HA3 GLY A 13 -8.216 2.012 -22.445 1.00 40.11 H new ATOM 209 N GLY A 14 -8.376 4.835 -21.201 1.00 71.22 N ATOM 210 CA GLY A 14 -9.036 6.129 -21.171 1.00 3.11 C ATOM 211 C GLY A 14 -8.024 7.264 -21.343 1.00 12.21 C ATOM 212 O GLY A 14 -7.576 7.537 -22.455 1.00 44.42 O ATOM 0 H GLY A 14 -7.372 4.864 -21.024 1.00 71.22 H new ATOM 0 HA2 GLY A 14 -9.782 6.179 -21.964 1.00 3.11 H new ATOM 0 HA3 GLY A 14 -9.566 6.249 -20.226 1.00 3.11 H new ATOM 216 N GLY A 15 -7.695 7.895 -20.225 1.00 63.33 N ATOM 217 CA GLY A 15 -6.745 8.994 -20.238 1.00 65.03 C ATOM 218 C GLY A 15 -7.377 10.272 -19.685 1.00 13.32 C ATOM 219 O GLY A 15 -8.600 10.397 -19.645 1.00 54.25 O ATOM 0 H GLY A 15 -8.070 7.666 -19.304 1.00 63.33 H new ATOM 0 HA2 GLY A 15 -5.870 8.730 -19.644 1.00 65.03 H new ATOM 0 HA3 GLY A 15 -6.398 9.167 -21.257 1.00 65.03 H new ATOM 223 N GLY A 16 -6.516 11.190 -19.271 1.00 23.32 N ATOM 224 CA GLY A 16 -6.975 12.454 -18.721 1.00 60.02 C ATOM 225 C GLY A 16 -7.012 12.406 -17.192 1.00 42.23 C ATOM 226 O GLY A 16 -6.019 12.059 -16.554 1.00 41.45 O ATOM 0 H GLY A 16 -5.502 11.083 -19.306 1.00 23.32 H new ATOM 0 HA2 GLY A 16 -6.315 13.258 -19.047 1.00 60.02 H new ATOM 0 HA3 GLY A 16 -7.969 12.682 -19.105 1.00 60.02 H new ATOM 230 N GLY A 17 -8.167 12.760 -16.649 1.00 32.43 N ATOM 231 CA GLY A 17 -8.346 12.761 -15.207 1.00 14.42 C ATOM 232 C GLY A 17 -8.033 11.386 -14.614 1.00 11.34 C ATOM 233 O GLY A 17 -7.535 10.504 -15.311 1.00 53.13 O ATOM 0 H GLY A 17 -8.988 13.048 -17.181 1.00 32.43 H new ATOM 0 HA2 GLY A 17 -7.696 13.511 -14.757 1.00 14.42 H new ATOM 0 HA3 GLY A 17 -9.371 13.041 -14.965 1.00 14.42 H new ATOM 237 N GLY A 18 -8.338 11.247 -13.332 1.00 22.13 N ATOM 238 CA GLY A 18 -8.095 9.994 -12.637 1.00 0.13 C ATOM 239 C GLY A 18 -7.121 10.192 -11.474 1.00 1.25 C ATOM 240 O GLY A 18 -6.009 9.668 -11.494 1.00 65.35 O ATOM 0 H GLY A 18 -8.751 11.981 -12.757 1.00 22.13 H new ATOM 0 HA2 GLY A 18 -9.037 9.593 -12.263 1.00 0.13 H new ATOM 0 HA3 GLY A 18 -7.690 9.260 -13.334 1.00 0.13 H new ATOM 244 N GLY A 19 -7.574 10.951 -10.486 1.00 75.44 N ATOM 245 CA GLY A 19 -6.757 11.225 -9.317 1.00 20.53 C ATOM 246 C GLY A 19 -7.622 11.663 -8.133 1.00 72.05 C ATOM 247 O GLY A 19 -8.566 12.434 -8.302 1.00 22.12 O ATOM 0 H GLY A 19 -8.497 11.385 -10.472 1.00 75.44 H new ATOM 0 HA2 GLY A 19 -6.191 10.333 -9.048 1.00 20.53 H new ATOM 0 HA3 GLY A 19 -6.032 12.005 -9.550 1.00 20.53 H new ATOM 251 N GLY A 20 -7.270 11.153 -6.963 1.00 21.33 N ATOM 252 CA GLY A 20 -8.002 11.482 -5.752 1.00 34.12 C ATOM 253 C GLY A 20 -7.913 10.346 -4.731 1.00 22.03 C ATOM 254 O GLY A 20 -6.875 9.698 -4.607 1.00 64.03 O ATOM 0 H GLY A 20 -6.487 10.514 -6.827 1.00 21.33 H new ATOM 0 HA2 GLY A 20 -7.601 12.398 -5.318 1.00 34.12 H new ATOM 0 HA3 GLY A 20 -9.047 11.676 -5.996 1.00 34.12 H new ATOM 258 N SER A 21 -9.015 10.139 -4.025 1.00 3.33 N ATOM 259 CA SER A 21 -9.074 9.093 -3.018 1.00 64.13 C ATOM 260 C SER A 21 -9.775 7.858 -3.588 1.00 11.23 C ATOM 261 O SER A 21 -10.416 7.109 -2.852 1.00 12.42 O ATOM 262 CB SER A 21 -9.794 9.580 -1.759 1.00 71.54 C ATOM 263 OG SER A 21 -9.148 10.709 -1.177 1.00 73.35 O ATOM 0 H SER A 21 -9.874 10.678 -4.131 1.00 3.33 H new ATOM 0 HA SER A 21 -8.054 8.828 -2.739 1.00 64.13 H new ATOM 0 HB2 SER A 21 -10.823 9.839 -2.007 1.00 71.54 H new ATOM 0 HB3 SER A 21 -9.836 8.771 -1.030 1.00 71.54 H new ATOM 0 HG SER A 21 -9.639 10.990 -0.377 1.00 73.35 H new ATOM 269 N ALA A 22 -9.630 7.684 -4.893 1.00 21.20 N ATOM 270 CA ALA A 22 -10.242 6.553 -5.570 1.00 24.34 C ATOM 271 C ALA A 22 -9.265 5.375 -5.569 1.00 71.23 C ATOM 272 O ALA A 22 -8.294 5.369 -6.324 1.00 72.44 O ATOM 273 CB ALA A 22 -10.656 6.966 -6.983 1.00 42.32 C ATOM 0 H ALA A 22 -9.098 8.307 -5.500 1.00 21.20 H new ATOM 0 HA ALA A 22 -11.144 6.235 -5.047 1.00 24.34 H new ATOM 0 HB1 ALA A 22 -11.115 6.117 -7.490 1.00 42.32 H new ATOM 0 HB2 ALA A 22 -11.372 7.786 -6.927 1.00 42.32 H new ATOM 0 HB3 ALA A 22 -9.777 7.289 -7.540 1.00 42.32 H new ATOM 279 N ALA A 23 -9.556 4.406 -4.714 1.00 14.35 N ATOM 280 CA ALA A 23 -8.716 3.226 -4.605 1.00 32.30 C ATOM 281 C ALA A 23 -7.365 3.620 -4.004 1.00 74.13 C ATOM 282 O ALA A 23 -6.362 2.944 -4.226 1.00 72.33 O ATOM 283 CB ALA A 23 -8.574 2.572 -5.981 1.00 21.01 C ATOM 0 H ALA A 23 -10.363 4.414 -4.090 1.00 14.35 H new ATOM 0 HA ALA A 23 -9.170 2.491 -3.940 1.00 32.30 H new ATOM 0 HB1 ALA A 23 -7.944 1.686 -5.900 1.00 21.01 H new ATOM 0 HB2 ALA A 23 -9.558 2.284 -6.350 1.00 21.01 H new ATOM 0 HB3 ALA A 23 -8.119 3.279 -6.675 1.00 21.01 H new ATOM 289 N GLU A 24 -7.383 4.713 -3.255 1.00 73.42 N ATOM 290 CA GLU A 24 -6.172 5.205 -2.621 1.00 32.12 C ATOM 291 C GLU A 24 -6.382 5.342 -1.111 1.00 41.45 C ATOM 292 O GLU A 24 -5.486 5.035 -0.326 1.00 52.33 O ATOM 293 CB GLU A 24 -5.732 6.535 -3.237 1.00 34.54 C ATOM 294 CG GLU A 24 -5.439 6.377 -4.730 1.00 30.21 C ATOM 295 CD GLU A 24 -4.101 7.022 -5.097 1.00 51.00 C ATOM 296 OE1 GLU A 24 -3.120 6.310 -5.356 1.00 63.31 O ATOM 297 OE2 GLU A 24 -4.103 8.312 -5.109 1.00 21.02 O ATOM 0 H GLU A 24 -8.217 5.271 -3.073 1.00 73.42 H new ATOM 0 HA GLU A 24 -5.375 4.482 -2.793 1.00 32.12 H new ATOM 0 HB2 GLU A 24 -6.512 7.282 -3.093 1.00 34.54 H new ATOM 0 HB3 GLU A 24 -4.842 6.900 -2.725 1.00 34.54 H new ATOM 0 HG2 GLU A 24 -5.420 5.319 -4.991 1.00 30.21 H new ATOM 0 HG3 GLU A 24 -6.239 6.835 -5.312 1.00 30.21 H new ATOM 305 N ALA A 25 -7.570 5.804 -0.751 1.00 12.31 N ATOM 306 CA ALA A 25 -7.909 5.986 0.650 1.00 2.24 C ATOM 307 C ALA A 25 -8.747 4.798 1.126 1.00 0.14 C ATOM 308 O ALA A 25 -8.771 4.488 2.317 1.00 54.34 O ATOM 309 CB ALA A 25 -8.634 7.321 0.831 1.00 0.23 C ATOM 0 H ALA A 25 -8.310 6.058 -1.405 1.00 12.31 H new ATOM 0 HA ALA A 25 -7.007 6.019 1.262 1.00 2.24 H new ATOM 0 HB1 ALA A 25 -8.888 7.457 1.882 1.00 0.23 H new ATOM 0 HB2 ALA A 25 -7.985 8.134 0.506 1.00 0.23 H new ATOM 0 HB3 ALA A 25 -9.546 7.324 0.234 1.00 0.23 H new ATOM 315 N TYR A 26 -9.414 4.165 0.172 1.00 4.03 N ATOM 316 CA TYR A 26 -10.251 3.018 0.479 1.00 22.22 C ATOM 317 C TYR A 26 -9.506 1.708 0.213 1.00 43.32 C ATOM 318 O TYR A 26 -9.342 0.888 1.115 1.00 54.20 O ATOM 319 CB TYR A 26 -11.452 3.108 -0.464 1.00 11.11 C ATOM 320 CG TYR A 26 -11.643 1.875 -1.349 1.00 23.43 C ATOM 321 CD1 TYR A 26 -12.095 0.693 -0.797 1.00 64.21 C ATOM 322 CD2 TYR A 26 -11.363 1.943 -2.698 1.00 42.53 C ATOM 323 CE1 TYR A 26 -12.274 -0.468 -1.630 1.00 20.22 C ATOM 324 CE2 TYR A 26 -11.542 0.782 -3.531 1.00 52.50 C ATOM 325 CZ TYR A 26 -11.989 -0.366 -2.956 1.00 20.03 C ATOM 326 OH TYR A 26 -12.158 -1.463 -3.742 1.00 54.42 O ATOM 0 H TYR A 26 -9.392 4.425 -0.814 1.00 4.03 H new ATOM 0 HA TYR A 26 -10.542 3.026 1.529 1.00 22.22 H new ATOM 0 HB2 TYR A 26 -12.355 3.261 0.128 1.00 11.11 H new ATOM 0 HB3 TYR A 26 -11.336 3.985 -1.101 1.00 11.11 H new ATOM 0 HD1 TYR A 26 -12.314 0.639 0.259 1.00 64.21 H new ATOM 0 HD2 TYR A 26 -11.009 2.868 -3.130 1.00 42.53 H new ATOM 0 HE1 TYR A 26 -12.627 -1.399 -1.211 1.00 20.22 H new ATOM 0 HE2 TYR A 26 -11.326 0.822 -4.588 1.00 52.50 H new ATOM 0 HH TYR A 26 -11.917 -1.243 -4.666 1.00 54.42 H new ATOM 336 N ALA A 27 -9.074 1.553 -1.030 1.00 24.30 N ATOM 337 CA ALA A 27 -8.350 0.357 -1.426 1.00 63.15 C ATOM 338 C ALA A 27 -7.212 0.103 -0.436 1.00 24.11 C ATOM 339 O ALA A 27 -6.724 -1.020 -0.320 1.00 20.31 O ATOM 340 CB ALA A 27 -7.848 0.517 -2.863 1.00 24.41 C ATOM 0 H ALA A 27 -9.211 2.235 -1.776 1.00 24.30 H new ATOM 0 HA ALA A 27 -9.006 -0.513 -1.404 1.00 63.15 H new ATOM 0 HB1 ALA A 27 -7.305 -0.380 -3.161 1.00 24.41 H new ATOM 0 HB2 ALA A 27 -8.697 0.665 -3.531 1.00 24.41 H new ATOM 0 HB3 ALA A 27 -7.184 1.380 -2.923 1.00 24.41 H new ATOM 346 N LYS A 28 -6.822 1.165 0.253 1.00 4.21 N ATOM 347 CA LYS A 28 -5.750 1.071 1.230 1.00 10.50 C ATOM 348 C LYS A 28 -6.272 0.374 2.488 1.00 61.54 C ATOM 349 O LYS A 28 -5.608 -0.506 3.034 1.00 12.14 O ATOM 350 CB LYS A 28 -5.147 2.452 1.498 1.00 32.11 C ATOM 351 CG LYS A 28 -5.876 3.155 2.645 1.00 2.03 C ATOM 352 CD LYS A 28 -5.227 4.504 2.962 1.00 52.24 C ATOM 353 CE LYS A 28 -4.479 4.453 4.295 1.00 1.52 C ATOM 354 NZ LYS A 28 -3.112 5.001 4.144 1.00 72.23 N ATOM 0 H LYS A 28 -7.229 2.095 0.154 1.00 4.21 H new ATOM 0 HA LYS A 28 -4.934 0.461 0.842 1.00 10.50 H new ATOM 0 HB2 LYS A 28 -4.090 2.350 1.743 1.00 32.11 H new ATOM 0 HB3 LYS A 28 -5.208 3.061 0.596 1.00 32.11 H new ATOM 0 HG2 LYS A 28 -6.922 3.304 2.378 1.00 2.03 H new ATOM 0 HG3 LYS A 28 -5.860 2.522 3.533 1.00 2.03 H new ATOM 0 HD2 LYS A 28 -4.536 4.776 2.164 1.00 52.24 H new ATOM 0 HD3 LYS A 28 -5.992 5.280 3.000 1.00 52.24 H new ATOM 0 HE2 LYS A 28 -5.025 5.023 5.047 1.00 1.52 H new ATOM 0 HE3 LYS A 28 -4.427 3.424 4.651 1.00 1.52 H new ATOM 0 HZ1 LYS A 28 -2.618 4.959 5.058 1.00 72.23 H new ATOM 0 HZ2 LYS A 28 -2.589 4.440 3.442 1.00 72.23 H new ATOM 0 HZ3 LYS A 28 -3.167 5.990 3.826 1.00 72.23 H new ATOM 367 N ARG A 29 -7.456 0.792 2.910 1.00 70.24 N ATOM 368 CA ARG A 29 -8.075 0.218 4.093 1.00 64.15 C ATOM 369 C ARG A 29 -8.415 -1.254 3.852 1.00 25.44 C ATOM 370 O ARG A 29 -8.134 -2.105 4.695 1.00 21.41 O ATOM 371 CB ARG A 29 -9.350 0.974 4.469 1.00 73.12 C ATOM 372 CG ARG A 29 -9.182 2.478 4.246 1.00 1.34 C ATOM 373 CD ARG A 29 -9.747 3.273 5.425 1.00 4.54 C ATOM 374 NE ARG A 29 -9.430 4.710 5.265 1.00 54.34 N ATOM 375 CZ ARG A 29 -10.076 5.537 4.415 1.00 74.11 C ATOM 376 NH1 ARG A 29 -11.081 5.075 3.641 1.00 71.14 N ATOM 377 NH2 ARG A 29 -9.711 6.804 4.352 1.00 23.35 N ATOM 0 H ARG A 29 -8.004 1.522 2.454 1.00 70.24 H new ATOM 0 HA ARG A 29 -7.362 0.300 4.914 1.00 64.15 H new ATOM 0 HB2 ARG A 29 -10.185 0.605 3.873 1.00 73.12 H new ATOM 0 HB3 ARG A 29 -9.596 0.783 5.514 1.00 73.12 H new ATOM 0 HG2 ARG A 29 -8.126 2.714 4.116 1.00 1.34 H new ATOM 0 HG3 ARG A 29 -9.690 2.772 3.328 1.00 1.34 H new ATOM 0 HD2 ARG A 29 -10.827 3.135 5.484 1.00 4.54 H new ATOM 0 HD3 ARG A 29 -9.327 2.901 6.360 1.00 4.54 H new ATOM 0 HE ARG A 29 -8.677 5.100 5.832 1.00 54.34 H new ATOM 0 HH11 ARG A 29 -11.358 4.095 3.696 1.00 71.14 H new ATOM 0 HH12 ARG A 29 -11.564 5.706 3.002 1.00 71.14 H new ATOM 0 HH21 ARG A 29 -8.951 7.146 4.940 1.00 23.35 H new ATOM 0 HH22 ARG A 29 -10.189 7.441 3.715 1.00 23.35 H new ATOM 390 N ILE A 30 -9.014 -1.510 2.699 1.00 50.22 N ATOM 391 CA ILE A 30 -9.395 -2.865 2.337 1.00 12.52 C ATOM 392 C ILE A 30 -8.326 -3.840 2.832 1.00 25.03 C ATOM 393 O ILE A 30 -8.614 -4.730 3.631 1.00 62.01 O ATOM 394 CB ILE A 30 -9.668 -2.961 0.835 1.00 61.51 C ATOM 395 CG1 ILE A 30 -10.571 -1.818 0.367 1.00 63.34 C ATOM 396 CG2 ILE A 30 -10.242 -4.332 0.469 1.00 1.21 C ATOM 397 CD1 ILE A 30 -11.734 -1.605 1.338 1.00 62.35 C ATOM 0 H ILE A 30 -9.245 -0.802 2.002 1.00 50.22 H new ATOM 0 HA ILE A 30 -10.329 -3.142 2.825 1.00 12.52 H new ATOM 0 HB ILE A 30 -8.719 -2.857 0.308 1.00 61.51 H new ATOM 0 HG12 ILE A 30 -9.989 -0.900 0.285 1.00 63.34 H new ATOM 0 HG13 ILE A 30 -10.959 -2.040 -0.627 1.00 63.34 H new ATOM 0 HG21 ILE A 30 -10.427 -4.374 -0.604 1.00 1.21 H new ATOM 0 HG22 ILE A 30 -9.530 -5.110 0.745 1.00 1.21 H new ATOM 0 HG23 ILE A 30 -11.178 -4.489 1.005 1.00 1.21 H new ATOM 0 HD11 ILE A 30 -12.360 -0.787 0.982 1.00 62.35 H new ATOM 0 HD12 ILE A 30 -12.328 -2.517 1.400 1.00 62.35 H new ATOM 0 HD13 ILE A 30 -11.343 -1.359 2.325 1.00 62.35 H new ATOM 409 N ALA A 31 -7.113 -3.640 2.338 1.00 41.44 N ATOM 410 CA ALA A 31 -5.999 -4.490 2.720 1.00 63.44 C ATOM 411 C ALA A 31 -6.079 -4.786 4.219 1.00 71.14 C ATOM 412 O ALA A 31 -6.074 -5.946 4.627 1.00 25.32 O ATOM 413 CB ALA A 31 -4.683 -3.815 2.328 1.00 2.04 C ATOM 0 H ALA A 31 -6.877 -2.901 1.676 1.00 41.44 H new ATOM 0 HA ALA A 31 -6.046 -5.443 2.193 1.00 63.44 H new ATOM 0 HB1 ALA A 31 -3.847 -4.453 2.615 1.00 2.04 H new ATOM 0 HB2 ALA A 31 -4.664 -3.654 1.250 1.00 2.04 H new ATOM 0 HB3 ALA A 31 -4.599 -2.856 2.839 1.00 2.04 H new ATOM 419 N GLU A 32 -6.152 -3.717 4.997 1.00 0.42 N ATOM 420 CA GLU A 32 -6.233 -3.847 6.442 1.00 14.01 C ATOM 421 C GLU A 32 -7.275 -4.901 6.822 1.00 22.51 C ATOM 422 O GLU A 32 -6.959 -5.872 7.509 1.00 42.31 O ATOM 423 CB GLU A 32 -6.552 -2.501 7.097 1.00 64.31 C ATOM 424 CG GLU A 32 -5.544 -1.432 6.670 1.00 53.23 C ATOM 425 CD GLU A 32 -5.172 -0.528 7.847 1.00 53.33 C ATOM 426 OE1 GLU A 32 -4.119 -0.724 8.471 1.00 61.33 O ATOM 427 OE2 GLU A 32 -6.022 0.408 8.105 1.00 21.02 O ATOM 0 H GLU A 32 -6.157 -2.756 4.654 1.00 0.42 H new ATOM 0 HA GLU A 32 -5.261 -4.173 6.813 1.00 14.01 H new ATOM 0 HB2 GLU A 32 -7.559 -2.188 6.821 1.00 64.31 H new ATOM 0 HB3 GLU A 32 -6.537 -2.608 8.182 1.00 64.31 H new ATOM 0 HG2 GLU A 32 -4.647 -1.910 6.276 1.00 53.23 H new ATOM 0 HG3 GLU A 32 -5.965 -0.831 5.864 1.00 53.23 H new ATOM 435 N ALA A 33 -8.495 -4.676 6.359 1.00 53.43 N ATOM 436 CA ALA A 33 -9.585 -5.594 6.641 1.00 31.25 C ATOM 437 C ALA A 33 -9.168 -7.011 6.243 1.00 31.41 C ATOM 438 O ALA A 33 -9.239 -7.934 7.053 1.00 32.14 O ATOM 439 CB ALA A 33 -10.847 -5.130 5.910 1.00 25.44 C ATOM 0 H ALA A 33 -8.753 -3.870 5.790 1.00 53.43 H new ATOM 0 HA ALA A 33 -9.812 -5.604 7.707 1.00 31.25 H new ATOM 0 HB1 ALA A 33 -11.664 -5.819 6.122 1.00 25.44 H new ATOM 0 HB2 ALA A 33 -11.118 -4.130 6.250 1.00 25.44 H new ATOM 0 HB3 ALA A 33 -10.659 -5.109 4.837 1.00 25.44 H new ATOM 445 N MET A 34 -8.742 -7.140 4.995 1.00 11.31 N ATOM 446 CA MET A 34 -8.314 -8.429 4.479 1.00 3.24 C ATOM 447 C MET A 34 -7.060 -8.921 5.206 1.00 51.13 C ATOM 448 O MET A 34 -6.669 -10.078 5.062 1.00 62.05 O ATOM 449 CB MET A 34 -8.022 -8.309 2.982 1.00 13.42 C ATOM 450 CG MET A 34 -9.277 -7.893 2.211 1.00 21.12 C ATOM 451 SD MET A 34 -10.286 -9.325 1.871 1.00 74.24 S ATOM 452 CE MET A 34 -11.880 -8.544 1.685 1.00 54.45 C ATOM 0 H MET A 34 -8.684 -6.372 4.326 1.00 11.31 H new ATOM 0 HA MET A 34 -9.115 -9.150 4.645 1.00 3.24 H new ATOM 0 HB2 MET A 34 -7.231 -7.577 2.819 1.00 13.42 H new ATOM 0 HB3 MET A 34 -7.656 -9.263 2.601 1.00 13.42 H new ATOM 0 HG2 MET A 34 -9.846 -7.166 2.791 1.00 21.12 H new ATOM 0 HG3 MET A 34 -8.996 -7.406 1.277 1.00 21.12 H new ATOM 0 HE1 MET A 34 -12.633 -9.301 1.467 1.00 54.45 H new ATOM 0 HE2 MET A 34 -12.142 -8.027 2.608 1.00 54.45 H new ATOM 0 HE3 MET A 34 -11.840 -7.826 0.866 1.00 54.45 H new ATOM 462 N ALA A 35 -6.465 -8.017 5.971 1.00 73.33 N ATOM 463 CA ALA A 35 -5.264 -8.345 6.720 1.00 51.01 C ATOM 464 C ALA A 35 -5.648 -8.716 8.154 1.00 61.03 C ATOM 465 O ALA A 35 -5.953 -7.843 8.964 1.00 14.42 O ATOM 466 CB ALA A 35 -4.290 -7.167 6.663 1.00 2.34 C ATOM 0 H ALA A 35 -6.792 -7.058 6.088 1.00 73.33 H new ATOM 0 HA ALA A 35 -4.760 -9.206 6.281 1.00 51.01 H new ATOM 0 HB1 ALA A 35 -3.389 -7.413 7.225 1.00 2.34 H new ATOM 0 HB2 ALA A 35 -4.026 -6.963 5.625 1.00 2.34 H new ATOM 0 HB3 ALA A 35 -4.760 -6.285 7.098 1.00 2.34 H new ATOM 472 N LYS A 36 -5.620 -10.013 8.423 1.00 3.11 N ATOM 473 CA LYS A 36 -5.961 -10.510 9.745 1.00 21.31 C ATOM 474 C LYS A 36 -4.770 -10.309 10.684 1.00 64.41 C ATOM 475 O LYS A 36 -3.647 -10.693 10.359 1.00 31.21 O ATOM 476 CB LYS A 36 -6.442 -11.960 9.664 1.00 34.32 C ATOM 477 CG LYS A 36 -6.840 -12.484 11.046 1.00 63.02 C ATOM 478 CD LYS A 36 -6.042 -13.739 11.407 1.00 43.51 C ATOM 479 CE LYS A 36 -5.578 -13.693 12.864 1.00 1.32 C ATOM 480 NZ LYS A 36 -4.135 -13.372 12.939 1.00 50.20 N ATOM 0 H LYS A 36 -5.366 -10.735 7.748 1.00 3.11 H new ATOM 0 HA LYS A 36 -6.794 -9.944 10.161 1.00 21.31 H new ATOM 0 HB2 LYS A 36 -7.293 -12.027 8.987 1.00 34.32 H new ATOM 0 HB3 LYS A 36 -5.653 -12.586 9.247 1.00 34.32 H new ATOM 0 HG2 LYS A 36 -6.668 -11.711 11.795 1.00 63.02 H new ATOM 0 HG3 LYS A 36 -7.906 -12.710 11.060 1.00 63.02 H new ATOM 0 HD2 LYS A 36 -6.657 -14.624 11.245 1.00 43.51 H new ATOM 0 HD3 LYS A 36 -5.178 -13.827 10.749 1.00 43.51 H new ATOM 0 HE2 LYS A 36 -6.152 -12.945 13.411 1.00 1.32 H new ATOM 0 HE3 LYS A 36 -5.768 -14.654 13.343 1.00 1.32 H new ATOM 0 HZ1 LYS A 36 -3.837 -13.345 13.935 1.00 50.20 H new ATOM 0 HZ2 LYS A 36 -3.591 -14.100 12.434 1.00 50.20 H new ATOM 0 HZ3 LYS A 36 -3.962 -12.445 12.501 1.00 50.20 H new ATOM 493 N GLY A 37 -5.055 -9.708 11.830 1.00 62.15 N ATOM 494 CA GLY A 37 -4.021 -9.451 12.818 1.00 61.52 C ATOM 495 C GLY A 37 -3.924 -7.958 13.135 1.00 41.23 C ATOM 496 O GLY A 37 -4.632 -7.457 14.007 1.00 75.33 O ATOM 0 H GLY A 37 -5.987 -9.392 12.096 1.00 62.15 H new ATOM 0 HA2 GLY A 37 -4.239 -10.007 13.730 1.00 61.52 H new ATOM 0 HA3 GLY A 37 -3.061 -9.811 12.447 1.00 61.52 H new TER 500 GLY A 37