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+ 143:sc= 0.028 (180deg=-0.134) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 74:sc= 0.687 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.083) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.389 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 160:sc= 0 (180deg=-0.746) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 5.136 -3.795 -15.679 1.00 12.02 N ATOM 2 CA ARG A 1 5.381 -3.325 -14.326 1.00 12.50 C ATOM 3 C ARG A 1 4.944 -1.865 -14.184 1.00 43.14 C ATOM 4 O ARG A 1 5.081 -1.079 -15.121 1.00 0.15 O ATOM 5 CB ARG A 1 6.862 -3.445 -13.961 1.00 13.52 C ATOM 6 CG ARG A 1 7.737 -2.692 -14.966 1.00 32.44 C ATOM 7 CD ARG A 1 9.088 -2.325 -14.349 1.00 12.24 C ATOM 8 NE ARG A 1 10.163 -3.135 -14.964 1.00 54.23 N ATOM 9 CZ ARG A 1 11.466 -2.784 -14.970 1.00 2.13 C ATOM 10 NH1 ARG A 1 11.868 -1.632 -14.391 1.00 61.22 N ATOM 11 NH2 ARG A 1 12.342 -3.584 -15.549 1.00 51.43 N ATOM 0 H1 ARG A 1 5.904 -4.433 -15.969 1.00 12.02 H new ATOM 0 H2 ARG A 1 4.231 -4.306 -15.710 1.00 12.02 H new ATOM 0 H3 ARG A 1 5.097 -2.983 -16.327 1.00 12.02 H new ATOM 0 HA ARG A 1 4.800 -3.949 -13.648 1.00 12.50 H new ATOM 0 HB2 ARG A 1 7.027 -3.047 -12.960 1.00 13.52 H new ATOM 0 HB3 ARG A 1 7.151 -4.496 -13.938 1.00 13.52 H new ATOM 0 HG2 ARG A 1 7.893 -3.308 -15.851 1.00 32.44 H new ATOM 0 HG3 ARG A 1 7.225 -1.787 -15.293 1.00 32.44 H new ATOM 0 HD2 ARG A 1 9.289 -1.264 -14.499 1.00 12.24 H new ATOM 0 HD3 ARG A 1 9.064 -2.495 -13.273 1.00 12.24 H new ATOM 0 HE ARG A 1 9.903 -4.014 -15.411 1.00 54.23 H new ATOM 0 HH11 ARG A 1 11.185 -1.020 -13.945 1.00 61.22 H new ATOM 0 HH12 ARG A 1 12.855 -1.374 -14.400 1.00 61.22 H new ATOM 0 HH21 ARG A 1 12.030 -4.453 -15.983 1.00 51.43 H new ATOM 0 HH22 ARG A 1 13.331 -3.333 -15.562 1.00 51.43 H new ATOM 24 N GLY A 2 4.428 -1.547 -13.006 1.00 51.45 N ATOM 25 CA GLY A 2 3.971 -0.195 -12.730 1.00 74.43 C ATOM 26 C GLY A 2 2.509 -0.015 -13.146 1.00 62.42 C ATOM 27 O GLY A 2 1.613 -0.036 -12.304 1.00 22.43 O ATOM 0 H GLY A 2 4.316 -2.202 -12.232 1.00 51.45 H new ATOM 0 HA2 GLY A 2 4.079 0.019 -11.667 1.00 74.43 H new ATOM 0 HA3 GLY A 2 4.596 0.520 -13.265 1.00 74.43 H new ATOM 31 N LYS A 3 2.314 0.158 -14.445 1.00 71.41 N ATOM 32 CA LYS A 3 0.977 0.341 -14.983 1.00 15.20 C ATOM 33 C LYS A 3 0.221 -0.988 -14.925 1.00 23.20 C ATOM 34 O LYS A 3 0.817 -2.052 -15.086 1.00 22.24 O ATOM 35 CB LYS A 3 1.042 0.951 -16.385 1.00 32.22 C ATOM 36 CG LYS A 3 1.635 -0.042 -17.387 1.00 51.41 C ATOM 37 CD LYS A 3 1.824 0.611 -18.758 1.00 73.21 C ATOM 38 CE LYS A 3 3.071 1.497 -18.777 1.00 32.14 C ATOM 39 NZ LYS A 3 3.401 1.898 -20.162 1.00 62.14 N ATOM 0 H LYS A 3 3.060 0.175 -15.141 1.00 71.41 H new ATOM 0 HA LYS A 3 0.417 1.053 -14.376 1.00 15.20 H new ATOM 0 HB2 LYS A 3 0.042 1.243 -16.705 1.00 32.22 H new ATOM 0 HB3 LYS A 3 1.647 1.857 -16.364 1.00 32.22 H new ATOM 0 HG2 LYS A 3 2.594 -0.407 -17.019 1.00 51.41 H new ATOM 0 HG3 LYS A 3 0.978 -0.907 -17.479 1.00 51.41 H new ATOM 0 HD2 LYS A 3 1.910 -0.160 -19.523 1.00 73.21 H new ATOM 0 HD3 LYS A 3 0.946 1.208 -19.004 1.00 73.21 H new ATOM 0 HE2 LYS A 3 2.904 2.384 -18.166 1.00 32.14 H new ATOM 0 HE3 LYS A 3 3.912 0.961 -18.337 1.00 32.14 H new ATOM 0 HZ1 LYS A 3 4.250 2.499 -20.157 1.00 62.14 H new ATOM 0 HZ2 LYS A 3 3.581 1.049 -20.736 1.00 62.14 H new ATOM 0 HZ3 LYS A 3 2.604 2.428 -20.569 1.00 62.14 H new ATOM 52 N TRP A 4 -1.079 -0.884 -14.695 1.00 53.30 N ATOM 53 CA TRP A 4 -1.922 -2.065 -14.614 1.00 12.51 C ATOM 54 C TRP A 4 -1.878 -2.771 -15.970 1.00 53.13 C ATOM 55 O TRP A 4 -2.409 -2.262 -16.957 1.00 32.45 O ATOM 56 CB TRP A 4 -3.341 -1.696 -14.177 1.00 54.04 C ATOM 57 CG TRP A 4 -3.755 -2.298 -12.833 1.00 10.42 C ATOM 58 CD1 TRP A 4 -4.453 -1.715 -11.848 1.00 64.20 C ATOM 59 CD2 TRP A 4 -3.467 -3.631 -12.362 1.00 65.24 C ATOM 60 NE1 TRP A 4 -4.634 -2.572 -10.782 1.00 31.25 N ATOM 61 CE2 TRP A 4 -4.015 -3.774 -11.104 1.00 75.35 C ATOM 62 CE3 TRP A 4 -2.765 -4.682 -12.980 1.00 10.24 C ATOM 63 CZ2 TRP A 4 -3.920 -4.954 -10.356 1.00 40.40 C ATOM 64 CZ3 TRP A 4 -2.678 -5.854 -12.218 1.00 54.34 C ATOM 65 CH2 TRP A 4 -3.225 -6.014 -10.951 1.00 14.33 C ATOM 0 H TRP A 4 -1.570 0.000 -14.562 1.00 53.30 H new ATOM 0 HA TRP A 4 -1.552 -2.752 -13.852 1.00 12.51 H new ATOM 0 HB2 TRP A 4 -3.421 -0.611 -14.117 1.00 54.04 H new ATOM 0 HB3 TRP A 4 -4.043 -2.026 -14.943 1.00 54.04 H new ATOM 0 HD1 TRP A 4 -4.826 -0.702 -11.884 1.00 64.20 H new ATOM 0 HE1 TRP A 4 -5.131 -2.362 -9.916 1.00 31.25 H new ATOM 0 HE3 TRP A 4 -2.328 -4.592 -13.964 1.00 10.24 H new ATOM 0 HZ2 TRP A 4 -4.359 -5.042 -9.373 1.00 40.40 H new ATOM 0 HZ3 TRP A 4 -2.148 -6.692 -12.646 1.00 54.34 H new ATOM 0 HH2 TRP A 4 -3.115 -6.952 -10.427 1.00 14.33 H new ATOM 76 N THR A 5 -1.240 -3.932 -15.977 1.00 33.15 N ATOM 77 CA THR A 5 -1.120 -4.714 -17.196 1.00 12.54 C ATOM 78 C THR A 5 -1.682 -6.121 -16.985 1.00 12.34 C ATOM 79 O THR A 5 -1.126 -6.907 -16.220 1.00 23.11 O ATOM 80 CB THR A 5 0.350 -4.704 -17.621 1.00 15.44 C ATOM 81 OG1 THR A 5 0.748 -3.345 -17.460 1.00 23.14 O ATOM 82 CG2 THR A 5 0.528 -4.970 -19.117 1.00 3.52 C ATOM 0 H THR A 5 -0.800 -4.350 -15.157 1.00 33.15 H new ATOM 0 HA THR A 5 -1.710 -4.281 -18.004 1.00 12.54 H new ATOM 0 HB THR A 5 0.898 -5.454 -17.051 1.00 15.44 H new ATOM 0 HG1 THR A 5 0.845 -3.143 -16.506 1.00 23.14 H new ATOM 0 HG21 THR A 5 1.589 -4.952 -19.366 1.00 3.52 H new ATOM 0 HG22 THR A 5 0.114 -5.947 -19.365 1.00 3.52 H new ATOM 0 HG23 THR A 5 0.008 -4.200 -19.688 1.00 3.52 H new ATOM 90 N TYR A 6 -2.778 -6.395 -17.676 1.00 73.44 N ATOM 91 CA TYR A 6 -3.422 -7.694 -17.574 1.00 61.14 C ATOM 92 C TYR A 6 -4.431 -7.896 -18.706 1.00 73.33 C ATOM 93 O TYR A 6 -5.331 -7.079 -18.894 1.00 1.30 O ATOM 94 CB TYR A 6 -4.166 -7.692 -16.238 1.00 32.13 C ATOM 95 CG TYR A 6 -4.757 -9.050 -15.852 1.00 42.23 C ATOM 96 CD1 TYR A 6 -3.923 -10.082 -15.473 1.00 73.31 C ATOM 97 CD2 TYR A 6 -6.123 -9.242 -15.884 1.00 32.12 C ATOM 98 CE1 TYR A 6 -4.479 -11.360 -15.110 1.00 72.23 C ATOM 99 CE2 TYR A 6 -6.679 -10.520 -15.521 1.00 51.01 C ATOM 100 CZ TYR A 6 -5.830 -11.516 -15.152 1.00 44.03 C ATOM 101 OH TYR A 6 -6.355 -12.723 -14.810 1.00 4.13 O ATOM 0 H TYR A 6 -3.237 -5.740 -18.309 1.00 73.44 H new ATOM 0 HA TYR A 6 -2.685 -8.494 -17.641 1.00 61.14 H new ATOM 0 HB2 TYR A 6 -3.482 -7.369 -15.453 1.00 32.13 H new ATOM 0 HB3 TYR A 6 -4.970 -6.957 -16.283 1.00 32.13 H new ATOM 0 HD1 TYR A 6 -2.854 -9.931 -15.449 1.00 73.31 H new ATOM 0 HD2 TYR A 6 -6.775 -8.434 -16.181 1.00 32.12 H new ATOM 0 HE1 TYR A 6 -3.838 -12.176 -14.811 1.00 72.23 H new ATOM 0 HE2 TYR A 6 -7.746 -10.684 -15.541 1.00 51.01 H new ATOM 0 HH TYR A 6 -7.331 -12.688 -14.885 1.00 4.13 H new ATOM 111 N ASN A 7 -4.248 -8.990 -19.431 1.00 71.12 N ATOM 112 CA ASN A 7 -5.131 -9.310 -20.540 1.00 35.04 C ATOM 113 C ASN A 7 -4.807 -8.398 -21.724 1.00 51.14 C ATOM 114 O ASN A 7 -5.662 -8.150 -22.574 1.00 3.35 O ATOM 115 CB ASN A 7 -6.596 -9.087 -20.158 1.00 53.05 C ATOM 116 CG ASN A 7 -7.527 -9.910 -21.052 1.00 3.12 C ATOM 117 OD1 ASN A 7 -7.633 -11.120 -20.934 1.00 45.35 O ATOM 118 ND2 ASN A 7 -8.193 -9.189 -21.949 1.00 11.43 N ATOM 0 H ASN A 7 -3.501 -9.666 -19.272 1.00 71.12 H new ATOM 0 HA ASN A 7 -4.981 -10.358 -20.800 1.00 35.04 H new ATOM 0 HB2 ASN A 7 -6.750 -9.363 -19.115 1.00 53.05 H new ATOM 0 HB3 ASN A 7 -6.842 -8.029 -20.247 1.00 53.05 H new ATOM 0 HD21 ASN A 7 -8.840 -9.646 -22.592 1.00 11.43 H new ATOM 0 HD22 ASN A 7 -8.057 -8.179 -21.994 1.00 11.43 H new ATOM 125 N GLY A 8 -3.570 -7.924 -21.744 1.00 11.44 N ATOM 126 CA GLY A 8 -3.122 -7.044 -22.810 1.00 72.42 C ATOM 127 C GLY A 8 -3.921 -5.740 -22.817 1.00 54.42 C ATOM 128 O GLY A 8 -4.277 -5.231 -23.879 1.00 43.22 O ATOM 0 H GLY A 8 -2.864 -8.133 -21.039 1.00 11.44 H new ATOM 0 HA2 GLY A 8 -2.062 -6.824 -22.684 1.00 72.42 H new ATOM 0 HA3 GLY A 8 -3.231 -7.547 -23.771 1.00 72.42 H new ATOM 132 N ILE A 9 -4.181 -5.235 -21.620 1.00 22.52 N ATOM 133 CA ILE A 9 -4.931 -4.000 -21.475 1.00 13.25 C ATOM 134 C ILE A 9 -4.164 -3.047 -20.556 1.00 44.33 C ATOM 135 O ILE A 9 -3.136 -3.417 -19.990 1.00 74.42 O ATOM 136 CB ILE A 9 -6.358 -4.291 -21.004 1.00 23.40 C ATOM 137 CG1 ILE A 9 -6.546 -3.885 -19.541 1.00 31.52 C ATOM 138 CG2 ILE A 9 -6.725 -5.757 -21.244 1.00 73.10 C ATOM 139 CD1 ILE A 9 -5.450 -4.487 -18.659 1.00 61.33 C ATOM 0 H ILE A 9 -3.885 -5.660 -20.741 1.00 22.52 H new ATOM 0 HA ILE A 9 -5.033 -3.502 -22.439 1.00 13.25 H new ATOM 0 HB ILE A 9 -7.044 -3.686 -21.596 1.00 23.40 H new ATOM 0 HG12 ILE A 9 -6.530 -2.798 -19.457 1.00 31.52 H new ATOM 0 HG13 ILE A 9 -7.523 -4.217 -19.190 1.00 31.52 H new ATOM 0 HG21 ILE A 9 -7.744 -5.938 -20.901 1.00 73.10 H new ATOM 0 HG22 ILE A 9 -6.656 -5.980 -22.309 1.00 73.10 H new ATOM 0 HG23 ILE A 9 -6.037 -6.399 -20.694 1.00 73.10 H new ATOM 0 HD11 ILE A 9 -5.608 -4.183 -17.624 1.00 61.33 H new ATOM 0 HD12 ILE A 9 -5.485 -5.574 -18.727 1.00 61.33 H new ATOM 0 HD13 ILE A 9 -4.476 -4.133 -18.997 1.00 61.33 H new ATOM 151 N THR A 10 -4.691 -1.837 -20.437 1.00 74.33 N ATOM 152 CA THR A 10 -4.069 -0.828 -19.598 1.00 24.35 C ATOM 153 C THR A 10 -5.130 -0.073 -18.796 1.00 11.43 C ATOM 154 O THR A 10 -6.189 0.263 -19.323 1.00 54.00 O ATOM 155 CB THR A 10 -3.225 0.079 -20.495 1.00 51.03 C ATOM 156 OG1 THR A 10 -2.442 -0.827 -21.267 1.00 23.42 O ATOM 157 CG2 THR A 10 -2.192 0.886 -19.707 1.00 0.44 C ATOM 0 H THR A 10 -5.543 -1.533 -20.909 1.00 74.33 H new ATOM 0 HA THR A 10 -3.409 -1.281 -18.858 1.00 24.35 H new ATOM 0 HB THR A 10 -3.879 0.760 -21.039 1.00 51.03 H new ATOM 0 HG1 THR A 10 -1.865 -0.322 -21.878 1.00 23.42 H new ATOM 0 HG21 THR A 10 -1.620 1.513 -20.392 1.00 0.44 H new ATOM 0 HG22 THR A 10 -2.702 1.516 -18.978 1.00 0.44 H new ATOM 0 HG23 THR A 10 -1.517 0.205 -19.189 1.00 0.44 H new ATOM 165 N TYR A 11 -4.809 0.173 -17.534 1.00 0.00 N ATOM 166 CA TYR A 11 -5.722 0.883 -16.654 1.00 23.10 C ATOM 167 C TYR A 11 -5.042 2.102 -16.027 1.00 53.24 C ATOM 168 O TYR A 11 -4.434 2.000 -14.963 1.00 62.33 O ATOM 169 CB TYR A 11 -6.093 -0.105 -15.546 1.00 41.30 C ATOM 170 CG TYR A 11 -6.822 -1.354 -16.045 1.00 10.14 C ATOM 171 CD1 TYR A 11 -7.641 -1.279 -17.153 1.00 11.30 C ATOM 172 CD2 TYR A 11 -6.661 -2.556 -15.386 1.00 62.01 C ATOM 173 CE1 TYR A 11 -8.327 -2.455 -17.622 1.00 54.52 C ATOM 174 CE2 TYR A 11 -7.347 -3.732 -15.855 1.00 51.24 C ATOM 175 CZ TYR A 11 -8.146 -3.623 -16.950 1.00 54.03 C ATOM 176 OH TYR A 11 -8.795 -4.733 -17.393 1.00 64.45 O ATOM 0 H TYR A 11 -3.929 -0.107 -17.100 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.592 1.237 -17.208 1.00 23.10 H new ATOM 0 HB2 TYR A 11 -5.185 -0.410 -15.026 1.00 41.30 H new ATOM 0 HB3 TYR A 11 -6.723 0.403 -14.816 1.00 41.30 H new ATOM 0 HD1 TYR A 11 -7.767 -0.338 -17.668 1.00 11.30 H new ATOM 0 HD2 TYR A 11 -6.020 -2.615 -14.518 1.00 62.01 H new ATOM 0 HE1 TYR A 11 -8.971 -2.410 -18.488 1.00 54.52 H new ATOM 0 HE2 TYR A 11 -7.230 -4.679 -15.349 1.00 51.24 H new ATOM 0 HH TYR A 11 -8.571 -5.494 -16.818 1.00 64.45 H new ATOM 186 N GLU A 12 -5.169 3.228 -16.714 1.00 1.20 N ATOM 187 CA GLU A 12 -4.575 4.466 -16.238 1.00 63.20 C ATOM 188 C GLU A 12 -5.276 4.935 -14.961 1.00 65.43 C ATOM 189 O GLU A 12 -6.479 5.189 -14.967 1.00 70.41 O ATOM 190 CB GLU A 12 -4.622 5.548 -17.318 1.00 73.05 C ATOM 191 CG GLU A 12 -3.254 6.209 -17.493 1.00 43.21 C ATOM 192 CD GLU A 12 -3.276 7.220 -18.642 1.00 24.15 C ATOM 193 OE1 GLU A 12 -4.096 7.094 -19.563 1.00 31.03 O ATOM 194 OE2 GLU A 12 -2.401 8.164 -18.554 1.00 25.31 O ATOM 0 H GLU A 12 -5.674 3.309 -17.596 1.00 1.20 H new ATOM 0 HA GLU A 12 -3.527 4.277 -16.005 1.00 63.20 H new ATOM 0 HB2 GLU A 12 -4.941 5.109 -18.263 1.00 73.05 H new ATOM 0 HB3 GLU A 12 -5.362 6.302 -17.050 1.00 73.05 H new ATOM 0 HG2 GLU A 12 -2.967 6.710 -16.568 1.00 43.21 H new ATOM 0 HG3 GLU A 12 -2.500 5.447 -17.689 1.00 43.21 H new ATOM 202 N GLY A 13 -4.493 5.035 -13.897 1.00 65.03 N ATOM 203 CA GLY A 13 -5.023 5.469 -12.616 1.00 30.31 C ATOM 204 C GLY A 13 -6.068 6.571 -12.800 1.00 4.51 C ATOM 205 O GLY A 13 -7.266 6.296 -12.840 1.00 3.13 O ATOM 0 H GLY A 13 -3.495 4.823 -13.896 1.00 65.03 H new ATOM 0 HA2 GLY A 13 -5.471 4.621 -12.098 1.00 30.31 H new ATOM 0 HA3 GLY A 13 -4.211 5.834 -11.987 1.00 30.31 H new ATOM 209 N GLY A 14 -5.575 7.797 -12.907 1.00 73.20 N ATOM 210 CA GLY A 14 -6.451 8.942 -13.086 1.00 12.32 C ATOM 211 C GLY A 14 -6.730 9.193 -14.569 1.00 43.42 C ATOM 212 O GLY A 14 -6.055 10.004 -15.203 1.00 32.14 O ATOM 0 H GLY A 14 -4.581 8.022 -12.873 1.00 73.20 H new ATOM 0 HA2 GLY A 14 -7.390 8.772 -12.560 1.00 12.32 H new ATOM 0 HA3 GLY A 14 -5.994 9.827 -12.644 1.00 12.32 H new ATOM 216 N GLY A 15 -7.725 8.483 -15.080 1.00 44.11 N ATOM 217 CA GLY A 15 -8.101 8.619 -16.477 1.00 64.31 C ATOM 218 C GLY A 15 -9.622 8.631 -16.637 1.00 33.14 C ATOM 219 O GLY A 15 -10.312 9.410 -15.982 1.00 15.43 O ATOM 0 H GLY A 15 -8.282 7.812 -14.552 1.00 44.11 H new ATOM 0 HA2 GLY A 15 -7.682 9.540 -16.882 1.00 64.31 H new ATOM 0 HA3 GLY A 15 -7.678 7.796 -17.053 1.00 64.31 H new ATOM 223 N GLY A 16 -10.101 7.758 -17.511 1.00 24.21 N ATOM 224 CA GLY A 16 -11.528 7.658 -17.765 1.00 1.32 C ATOM 225 C GLY A 16 -12.022 6.225 -17.561 1.00 35.12 C ATOM 226 O GLY A 16 -11.229 5.285 -17.558 1.00 40.12 O ATOM 0 H GLY A 16 -9.526 7.113 -18.053 1.00 24.21 H new ATOM 0 HA2 GLY A 16 -12.068 8.331 -17.098 1.00 1.32 H new ATOM 0 HA3 GLY A 16 -11.743 7.979 -18.784 1.00 1.32 H new ATOM 230 N GLY A 17 -13.331 6.102 -17.395 1.00 12.53 N ATOM 231 CA GLY A 17 -13.941 4.799 -17.190 1.00 51.54 C ATOM 232 C GLY A 17 -14.816 4.794 -15.935 1.00 50.32 C ATOM 233 O GLY A 17 -14.561 5.544 -14.994 1.00 33.54 O ATOM 0 H GLY A 17 -13.986 6.884 -17.398 1.00 12.53 H new ATOM 0 HA2 GLY A 17 -14.544 4.535 -18.059 1.00 51.54 H new ATOM 0 HA3 GLY A 17 -13.164 4.040 -17.099 1.00 51.54 H new ATOM 237 N GLY A 18 -15.829 3.941 -15.963 1.00 12.05 N ATOM 238 CA GLY A 18 -16.743 3.828 -14.839 1.00 13.44 C ATOM 239 C GLY A 18 -16.028 3.279 -13.603 1.00 22.31 C ATOM 240 O GLY A 18 -15.255 2.327 -13.701 1.00 5.21 O ATOM 0 H GLY A 18 -16.037 3.322 -16.746 1.00 12.05 H new ATOM 0 HA2 GLY A 18 -17.169 4.805 -14.613 1.00 13.44 H new ATOM 0 HA3 GLY A 18 -17.572 3.173 -15.105 1.00 13.44 H new ATOM 244 N GLY A 19 -16.311 3.902 -12.468 1.00 73.44 N ATOM 245 CA GLY A 19 -15.705 3.487 -11.215 1.00 24.30 C ATOM 246 C GLY A 19 -14.404 4.250 -10.956 1.00 51.12 C ATOM 247 O GLY A 19 -13.325 3.661 -10.951 1.00 65.42 O ATOM 0 H GLY A 19 -16.952 4.691 -12.391 1.00 73.44 H new ATOM 0 HA2 GLY A 19 -16.402 3.660 -10.395 1.00 24.30 H new ATOM 0 HA3 GLY A 19 -15.504 2.416 -11.241 1.00 24.30 H new ATOM 251 N GLY A 20 -14.550 5.550 -10.747 1.00 51.34 N ATOM 252 CA GLY A 20 -13.401 6.400 -10.489 1.00 5.55 C ATOM 253 C GLY A 20 -12.975 6.315 -9.021 1.00 50.53 C ATOM 254 O GLY A 20 -13.137 5.276 -8.383 1.00 54.44 O ATOM 0 H GLY A 20 -15.447 6.035 -10.751 1.00 51.34 H new ATOM 0 HA2 GLY A 20 -12.572 6.101 -11.130 1.00 5.55 H new ATOM 0 HA3 GLY A 20 -13.643 7.432 -10.742 1.00 5.55 H new ATOM 258 N SER A 21 -12.439 7.422 -8.529 1.00 3.41 N ATOM 259 CA SER A 21 -11.989 7.486 -7.149 1.00 4.13 C ATOM 260 C SER A 21 -13.140 7.927 -6.243 1.00 31.33 C ATOM 261 O SER A 21 -12.952 8.754 -5.352 1.00 33.11 O ATOM 262 CB SER A 21 -10.802 8.440 -7.000 1.00 65.31 C ATOM 263 OG SER A 21 -9.785 8.181 -7.964 1.00 62.24 O ATOM 0 H SER A 21 -12.306 8.282 -9.061 1.00 3.41 H new ATOM 0 HA SER A 21 -11.660 6.490 -6.851 1.00 4.13 H new ATOM 0 HB2 SER A 21 -11.148 9.468 -7.105 1.00 65.31 H new ATOM 0 HB3 SER A 21 -10.384 8.345 -5.998 1.00 65.31 H new ATOM 0 HG SER A 21 -9.046 8.812 -7.837 1.00 62.24 H new ATOM 269 N ALA A 22 -14.307 7.354 -6.502 1.00 3.44 N ATOM 270 CA ALA A 22 -15.489 7.678 -5.721 1.00 24.34 C ATOM 271 C ALA A 22 -15.548 6.767 -4.493 1.00 32.32 C ATOM 272 O ALA A 22 -16.293 5.788 -4.477 1.00 53.11 O ATOM 273 CB ALA A 22 -16.733 7.551 -6.601 1.00 51.25 C ATOM 0 H ALA A 22 -14.459 6.668 -7.241 1.00 3.44 H new ATOM 0 HA ALA A 22 -15.445 8.708 -5.366 1.00 24.34 H new ATOM 0 HB1 ALA A 22 -17.619 7.794 -6.015 1.00 51.25 H new ATOM 0 HB2 ALA A 22 -16.655 8.239 -7.443 1.00 51.25 H new ATOM 0 HB3 ALA A 22 -16.813 6.530 -6.973 1.00 51.25 H new ATOM 279 N ALA A 23 -14.753 7.121 -3.494 1.00 33.23 N ATOM 280 CA ALA A 23 -14.706 6.347 -2.265 1.00 13.24 C ATOM 281 C ALA A 23 -13.924 5.055 -2.510 1.00 15.22 C ATOM 282 O ALA A 23 -14.129 4.060 -1.816 1.00 54.22 O ATOM 283 CB ALA A 23 -16.131 6.082 -1.773 1.00 42.40 C ATOM 0 H ALA A 23 -14.136 7.933 -3.510 1.00 33.23 H new ATOM 0 HA ALA A 23 -14.189 6.902 -1.482 1.00 13.24 H new ATOM 0 HB1 ALA A 23 -16.096 5.501 -0.851 1.00 42.40 H new ATOM 0 HB2 ALA A 23 -16.633 7.031 -1.585 1.00 42.40 H new ATOM 0 HB3 ALA A 23 -16.680 5.525 -2.532 1.00 42.40 H new ATOM 289 N GLU A 24 -13.045 5.112 -3.499 1.00 3.22 N ATOM 290 CA GLU A 24 -12.231 3.959 -3.844 1.00 71.12 C ATOM 291 C GLU A 24 -11.008 3.879 -2.929 1.00 21.23 C ATOM 292 O GLU A 24 -10.440 2.805 -2.738 1.00 62.54 O ATOM 293 CB GLU A 24 -11.813 4.004 -5.315 1.00 60.42 C ATOM 294 CG GLU A 24 -10.529 4.816 -5.496 1.00 22.42 C ATOM 295 CD GLU A 24 -10.035 4.746 -6.942 1.00 64.51 C ATOM 296 OE1 GLU A 24 -10.845 4.591 -7.867 1.00 74.44 O ATOM 297 OE2 GLU A 24 -8.758 4.859 -7.088 1.00 40.52 O ATOM 0 H GLU A 24 -12.878 5.939 -4.073 1.00 3.22 H new ATOM 0 HA GLU A 24 -12.829 3.060 -3.697 1.00 71.12 H new ATOM 0 HB2 GLU A 24 -11.661 2.990 -5.685 1.00 60.42 H new ATOM 0 HB3 GLU A 24 -12.613 4.444 -5.911 1.00 60.42 H new ATOM 0 HG2 GLU A 24 -10.709 5.855 -5.220 1.00 22.42 H new ATOM 0 HG3 GLU A 24 -9.757 4.437 -4.826 1.00 22.42 H new ATOM 305 N ALA A 25 -10.638 5.030 -2.386 1.00 33.40 N ATOM 306 CA ALA A 25 -9.493 5.103 -1.495 1.00 41.20 C ATOM 307 C ALA A 25 -9.850 4.453 -0.157 1.00 15.21 C ATOM 308 O ALA A 25 -9.314 3.402 0.190 1.00 41.12 O ATOM 309 CB ALA A 25 -9.061 6.563 -1.337 1.00 74.45 C ATOM 0 H ALA A 25 -11.111 5.919 -2.546 1.00 33.40 H new ATOM 0 HA ALA A 25 -8.648 4.556 -1.912 1.00 41.20 H new ATOM 0 HB1 ALA A 25 -8.202 6.618 -0.668 1.00 74.45 H new ATOM 0 HB2 ALA A 25 -8.789 6.970 -2.311 1.00 74.45 H new ATOM 0 HB3 ALA A 25 -9.884 7.143 -0.919 1.00 74.45 H new ATOM 315 N TYR A 26 -10.755 5.106 0.559 1.00 64.24 N ATOM 316 CA TYR A 26 -11.190 4.605 1.851 1.00 32.51 C ATOM 317 C TYR A 26 -11.236 3.075 1.859 1.00 51.20 C ATOM 318 O TYR A 26 -10.976 2.448 2.885 1.00 52.13 O ATOM 319 CB TYR A 26 -12.606 5.146 2.058 1.00 1.41 C ATOM 320 CG TYR A 26 -13.703 4.088 1.928 1.00 63.23 C ATOM 321 CD1 TYR A 26 -13.790 3.067 2.852 1.00 11.14 C ATOM 322 CD2 TYR A 26 -14.605 4.153 0.885 1.00 2.41 C ATOM 323 CE1 TYR A 26 -14.822 2.071 2.730 1.00 74.35 C ATOM 324 CE2 TYR A 26 -15.637 3.157 0.762 1.00 10.02 C ATOM 325 CZ TYR A 26 -15.695 2.165 1.690 1.00 21.25 C ATOM 326 OH TYR A 26 -16.670 1.224 1.574 1.00 22.35 O ATOM 0 H TYR A 26 -11.198 5.977 0.268 1.00 64.24 H new ATOM 0 HA TYR A 26 -10.503 4.920 2.636 1.00 32.51 H new ATOM 0 HB2 TYR A 26 -12.669 5.600 3.047 1.00 1.41 H new ATOM 0 HB3 TYR A 26 -12.791 5.937 1.332 1.00 1.41 H new ATOM 0 HD1 TYR A 26 -13.083 3.015 3.667 1.00 11.14 H new ATOM 0 HD2 TYR A 26 -14.536 4.951 0.161 1.00 2.41 H new ATOM 0 HE1 TYR A 26 -14.902 1.268 3.447 1.00 74.35 H new ATOM 0 HE2 TYR A 26 -16.349 3.197 -0.049 1.00 10.02 H new ATOM 0 HH TYR A 26 -17.220 1.418 0.786 1.00 22.35 H new ATOM 336 N ALA A 27 -11.569 2.519 0.703 1.00 3.04 N ATOM 337 CA ALA A 27 -11.652 1.075 0.564 1.00 0.02 C ATOM 338 C ALA A 27 -10.262 0.467 0.760 1.00 44.24 C ATOM 339 O ALA A 27 -9.982 -0.131 1.798 1.00 43.54 O ATOM 340 CB ALA A 27 -12.254 0.727 -0.799 1.00 12.24 C ATOM 0 H ALA A 27 -11.784 3.042 -0.146 1.00 3.04 H new ATOM 0 HA ALA A 27 -12.306 0.653 1.327 1.00 0.02 H new ATOM 0 HB1 ALA A 27 -12.316 -0.356 -0.903 1.00 12.24 H new ATOM 0 HB2 ALA A 27 -13.253 1.157 -0.876 1.00 12.24 H new ATOM 0 HB3 ALA A 27 -11.623 1.132 -1.590 1.00 12.24 H new ATOM 346 N LYS A 28 -9.427 0.641 -0.255 1.00 30.14 N ATOM 347 CA LYS A 28 -8.073 0.117 -0.208 1.00 25.25 C ATOM 348 C LYS A 28 -7.517 0.277 1.209 1.00 34.02 C ATOM 349 O LYS A 28 -6.850 -0.619 1.723 1.00 33.53 O ATOM 350 CB LYS A 28 -7.207 0.772 -1.285 1.00 44.51 C ATOM 351 CG LYS A 28 -7.196 2.295 -1.129 1.00 70.51 C ATOM 352 CD LYS A 28 -6.024 2.916 -1.892 1.00 32.32 C ATOM 353 CE LYS A 28 -4.714 2.741 -1.121 1.00 52.21 C ATOM 354 NZ LYS A 28 -3.583 3.315 -1.884 1.00 73.24 N ATOM 0 H LYS A 28 -9.663 1.137 -1.114 1.00 30.14 H new ATOM 0 HA LYS A 28 -8.070 -0.949 -0.434 1.00 25.25 H new ATOM 0 HB2 LYS A 28 -6.189 0.389 -1.221 1.00 44.51 H new ATOM 0 HB3 LYS A 28 -7.585 0.507 -2.272 1.00 44.51 H new ATOM 0 HG2 LYS A 28 -8.135 2.709 -1.498 1.00 70.51 H new ATOM 0 HG3 LYS A 28 -7.126 2.555 -0.073 1.00 70.51 H new ATOM 0 HD2 LYS A 28 -5.937 2.451 -2.874 1.00 32.32 H new ATOM 0 HD3 LYS A 28 -6.214 3.976 -2.057 1.00 32.32 H new ATOM 0 HE2 LYS A 28 -4.789 3.228 -0.149 1.00 52.21 H new ATOM 0 HE3 LYS A 28 -4.534 1.682 -0.934 1.00 52.21 H new ATOM 0 HZ1 LYS A 28 -2.702 3.188 -1.347 1.00 73.24 H new ATOM 0 HZ2 LYS A 28 -3.502 2.832 -2.801 1.00 73.24 H new ATOM 0 HZ3 LYS A 28 -3.749 4.330 -2.041 1.00 73.24 H new ATOM 367 N ARG A 29 -7.813 1.425 1.800 1.00 15.31 N ATOM 368 CA ARG A 29 -7.352 1.714 3.147 1.00 13.43 C ATOM 369 C ARG A 29 -8.007 0.761 4.149 1.00 60.44 C ATOM 370 O ARG A 29 -7.323 0.155 4.972 1.00 34.25 O ATOM 371 CB ARG A 29 -7.675 3.157 3.542 1.00 5.00 C ATOM 372 CG ARG A 29 -7.194 4.139 2.472 1.00 64.25 C ATOM 373 CD ARG A 29 -5.682 4.028 2.266 1.00 45.22 C ATOM 374 NE ARG A 29 -5.188 5.196 1.502 1.00 70.32 N ATOM 375 CZ ARG A 29 -5.190 6.462 1.969 1.00 11.15 C ATOM 376 NH1 ARG A 29 -5.661 6.735 3.205 1.00 41.52 N ATOM 377 NH2 ARG A 29 -4.725 7.429 1.201 1.00 51.14 N ATOM 0 H ARG A 29 -8.367 2.166 1.371 1.00 15.31 H new ATOM 0 HA ARG A 29 -6.271 1.577 3.163 1.00 13.43 H new ATOM 0 HB2 ARG A 29 -8.750 3.267 3.685 1.00 5.00 H new ATOM 0 HB3 ARG A 29 -7.201 3.392 4.495 1.00 5.00 H new ATOM 0 HG2 ARG A 29 -7.708 3.939 1.532 1.00 64.25 H new ATOM 0 HG3 ARG A 29 -7.451 5.157 2.766 1.00 64.25 H new ATOM 0 HD2 ARG A 29 -5.178 3.975 3.231 1.00 45.22 H new ATOM 0 HD3 ARG A 29 -5.446 3.108 1.732 1.00 45.22 H new ATOM 0 HE ARG A 29 -4.823 5.033 0.563 1.00 70.32 H new ATOM 0 HH11 ARG A 29 -6.018 5.982 3.792 1.00 41.52 H new ATOM 0 HH12 ARG A 29 -5.659 7.695 3.551 1.00 41.52 H new ATOM 0 HH21 ARG A 29 -4.371 7.214 0.269 1.00 51.14 H new ATOM 0 HH22 ARG A 29 -4.720 8.391 1.539 1.00 51.14 H new ATOM 390 N ILE A 30 -9.324 0.657 4.045 1.00 63.14 N ATOM 391 CA ILE A 30 -10.078 -0.213 4.931 1.00 53.12 C ATOM 392 C ILE A 30 -9.291 -1.504 5.163 1.00 73.35 C ATOM 393 O ILE A 30 -8.938 -1.825 6.296 1.00 21.12 O ATOM 394 CB ILE A 30 -11.489 -0.442 4.384 1.00 64.05 C ATOM 395 CG1 ILE A 30 -12.308 0.849 4.423 1.00 54.34 C ATOM 396 CG2 ILE A 30 -12.185 -1.586 5.124 1.00 41.40 C ATOM 397 CD1 ILE A 30 -13.533 0.694 5.327 1.00 40.24 C ATOM 0 H ILE A 30 -9.888 1.161 3.361 1.00 63.14 H new ATOM 0 HA ILE A 30 -10.211 0.258 5.905 1.00 53.12 H new ATOM 0 HB ILE A 30 -11.406 -0.739 3.338 1.00 64.05 H new ATOM 0 HG12 ILE A 30 -11.686 1.668 4.785 1.00 54.34 H new ATOM 0 HG13 ILE A 30 -12.627 1.112 3.414 1.00 54.34 H new ATOM 0 HG21 ILE A 30 -13.186 -1.728 4.716 1.00 41.40 H new ATOM 0 HG22 ILE A 30 -11.609 -2.503 5.000 1.00 41.40 H new ATOM 0 HG23 ILE A 30 -12.257 -1.343 6.184 1.00 41.40 H new ATOM 0 HD11 ILE A 30 -14.098 1.626 5.337 1.00 40.24 H new ATOM 0 HD12 ILE A 30 -14.165 -0.109 4.949 1.00 40.24 H new ATOM 0 HD13 ILE A 30 -13.210 0.455 6.340 1.00 40.24 H new ATOM 409 N ALA A 31 -9.040 -2.210 4.070 1.00 23.41 N ATOM 410 CA ALA A 31 -8.301 -3.460 4.140 1.00 0.30 C ATOM 411 C ALA A 31 -7.151 -3.312 5.139 1.00 75.21 C ATOM 412 O ALA A 31 -7.043 -4.090 6.085 1.00 32.25 O ATOM 413 CB ALA A 31 -7.813 -3.843 2.742 1.00 63.23 C ATOM 0 H ALA A 31 -9.335 -1.941 3.131 1.00 23.41 H new ATOM 0 HA ALA A 31 -8.943 -4.267 4.494 1.00 0.30 H new ATOM 0 HB1 ALA A 31 -7.259 -4.780 2.794 1.00 63.23 H new ATOM 0 HB2 ALA A 31 -8.669 -3.964 2.078 1.00 63.23 H new ATOM 0 HB3 ALA A 31 -7.163 -3.058 2.356 1.00 63.23 H new ATOM 419 N GLU A 32 -6.322 -2.309 4.894 1.00 51.52 N ATOM 420 CA GLU A 32 -5.185 -2.049 5.760 1.00 23.00 C ATOM 421 C GLU A 32 -5.625 -2.040 7.225 1.00 25.14 C ATOM 422 O GLU A 32 -5.065 -2.762 8.050 1.00 41.44 O ATOM 423 CB GLU A 32 -4.499 -0.734 5.385 1.00 10.44 C ATOM 424 CG GLU A 32 -4.015 -0.761 3.934 1.00 34.31 C ATOM 425 CD GLU A 32 -2.575 -0.257 3.827 1.00 64.53 C ATOM 426 OE1 GLU A 32 -1.649 -1.061 3.642 1.00 61.44 O ATOM 427 OE2 GLU A 32 -2.434 1.020 3.941 1.00 23.34 O ATOM 0 H GLU A 32 -6.415 -1.666 4.108 1.00 51.52 H new ATOM 0 HA GLU A 32 -4.459 -2.850 5.624 1.00 23.00 H new ATOM 0 HB2 GLU A 32 -5.193 0.095 5.525 1.00 10.44 H new ATOM 0 HB3 GLU A 32 -3.654 -0.558 6.051 1.00 10.44 H new ATOM 0 HG2 GLU A 32 -4.078 -1.777 3.545 1.00 34.31 H new ATOM 0 HG3 GLU A 32 -4.667 -0.142 3.318 1.00 34.31 H new ATOM 435 N ALA A 33 -6.623 -1.215 7.505 1.00 21.44 N ATOM 436 CA ALA A 33 -7.144 -1.103 8.857 1.00 33.10 C ATOM 437 C ALA A 33 -7.494 -2.497 9.382 1.00 64.23 C ATOM 438 O ALA A 33 -7.063 -2.881 10.468 1.00 31.21 O ATOM 439 CB ALA A 33 -8.348 -0.159 8.863 1.00 34.21 C ATOM 0 H ALA A 33 -7.085 -0.618 6.819 1.00 21.44 H new ATOM 0 HA ALA A 33 -6.393 -0.679 9.524 1.00 33.10 H new ATOM 0 HB1 ALA A 33 -8.739 -0.075 9.877 1.00 34.21 H new ATOM 0 HB2 ALA A 33 -8.040 0.825 8.510 1.00 34.21 H new ATOM 0 HB3 ALA A 33 -9.123 -0.554 8.207 1.00 34.21 H new ATOM 445 N MET A 34 -8.270 -3.217 8.586 1.00 55.35 N ATOM 446 CA MET A 34 -8.683 -4.560 8.956 1.00 5.11 C ATOM 447 C MET A 34 -7.471 -5.482 9.112 1.00 53.34 C ATOM 448 O MET A 34 -7.589 -6.582 9.648 1.00 71.41 O ATOM 449 CB MET A 34 -9.617 -5.122 7.883 1.00 53.40 C ATOM 450 CG MET A 34 -10.937 -4.348 7.846 1.00 43.13 C ATOM 451 SD MET A 34 -12.289 -5.463 7.510 1.00 72.23 S ATOM 452 CE MET A 34 -12.422 -5.265 5.741 1.00 70.43 C ATOM 0 H MET A 34 -8.624 -2.895 7.685 1.00 55.35 H new ATOM 0 HA MET A 34 -9.204 -4.509 9.912 1.00 5.11 H new ATOM 0 HB2 MET A 34 -9.132 -5.068 6.908 1.00 53.40 H new ATOM 0 HB3 MET A 34 -9.814 -6.175 8.083 1.00 53.40 H new ATOM 0 HG2 MET A 34 -11.099 -3.843 8.799 1.00 43.13 H new ATOM 0 HG3 MET A 34 -10.893 -3.575 7.079 1.00 43.13 H new ATOM 0 HE1 MET A 34 -12.951 -6.119 5.318 1.00 70.43 H new ATOM 0 HE2 MET A 34 -12.972 -4.351 5.518 1.00 70.43 H new ATOM 0 HE3 MET A 34 -11.425 -5.204 5.306 1.00 70.43 H new ATOM 462 N ALA A 35 -6.334 -4.998 8.633 1.00 75.11 N ATOM 463 CA ALA A 35 -5.103 -5.765 8.712 1.00 3.10 C ATOM 464 C ALA A 35 -4.370 -5.413 10.008 1.00 13.33 C ATOM 465 O ALA A 35 -4.212 -6.260 10.886 1.00 64.03 O ATOM 466 CB ALA A 35 -4.252 -5.494 7.470 1.00 61.14 C ATOM 0 H ALA A 35 -6.240 -4.085 8.189 1.00 75.11 H new ATOM 0 HA ALA A 35 -5.318 -6.833 8.734 1.00 3.10 H new ATOM 0 HB1 ALA A 35 -3.328 -6.070 7.529 1.00 61.14 H new ATOM 0 HB2 ALA A 35 -4.806 -5.788 6.578 1.00 61.14 H new ATOM 0 HB3 ALA A 35 -4.015 -4.432 7.416 1.00 61.14 H new ATOM 472 N LYS A 36 -3.943 -4.161 10.088 1.00 73.01 N ATOM 473 CA LYS A 36 -3.231 -3.686 11.262 1.00 34.33 C ATOM 474 C LYS A 36 -4.102 -3.899 12.502 1.00 75.10 C ATOM 475 O LYS A 36 -3.719 -4.626 13.417 1.00 31.30 O ATOM 476 CB LYS A 36 -2.783 -2.237 11.067 1.00 1.43 C ATOM 477 CG LYS A 36 -2.215 -1.659 12.365 1.00 13.15 C ATOM 478 CD LYS A 36 -0.814 -2.207 12.643 1.00 40.12 C ATOM 479 CE LYS A 36 -0.185 -1.515 13.854 1.00 63.31 C ATOM 480 NZ LYS A 36 -0.793 -2.012 15.108 1.00 24.54 N ATOM 0 H LYS A 36 -4.077 -3.461 9.358 1.00 73.01 H new ATOM 0 HA LYS A 36 -2.317 -4.260 11.411 1.00 34.33 H new ATOM 0 HB2 LYS A 36 -2.028 -2.189 10.282 1.00 1.43 H new ATOM 0 HB3 LYS A 36 -3.627 -1.633 10.735 1.00 1.43 H new ATOM 0 HG2 LYS A 36 -2.177 -0.572 12.297 1.00 13.15 H new ATOM 0 HG3 LYS A 36 -2.876 -1.904 13.196 1.00 13.15 H new ATOM 0 HD2 LYS A 36 -0.868 -3.281 12.821 1.00 40.12 H new ATOM 0 HD3 LYS A 36 -0.182 -2.061 11.767 1.00 40.12 H new ATOM 0 HE2 LYS A 36 0.890 -1.697 13.867 1.00 63.31 H new ATOM 0 HE3 LYS A 36 -0.325 -0.437 13.777 1.00 63.31 H new ATOM 0 HZ1 LYS A 36 -0.355 -1.532 15.920 1.00 24.54 H new ATOM 0 HZ2 LYS A 36 -1.814 -1.816 15.100 1.00 24.54 H new ATOM 0 HZ3 LYS A 36 -0.638 -3.037 15.187 1.00 24.54 H new ATOM 493 N GLY A 37 -5.258 -3.252 12.492 1.00 13.50 N ATOM 494 CA GLY A 37 -6.187 -3.361 13.604 1.00 1.33 C ATOM 495 C GLY A 37 -6.489 -4.826 13.925 1.00 64.11 C ATOM 496 O GLY A 37 -7.254 -5.120 14.842 1.00 3.31 O ATOM 0 H GLY A 37 -5.573 -2.650 11.731 1.00 13.50 H new ATOM 0 HA2 GLY A 37 -5.767 -2.872 14.483 1.00 1.33 H new ATOM 0 HA3 GLY A 37 -7.113 -2.840 13.361 1.00 1.33 H new TER 500 GLY A 37