USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=9 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+ -179:sc= 0 (180deg=-0.000543) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 93:sc= -1.17! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0221) USER MOD Single : A 34 MET CE :methyl 179:sc= 0 (180deg=-0.00037) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -11.184 -1.393 -17.261 1.00 33.35 N ATOM 2 CA ARG A 1 -11.910 -2.212 -16.304 1.00 41.02 C ATOM 3 C ARG A 1 -11.291 -3.609 -16.224 1.00 71.02 C ATOM 4 O ARG A 1 -10.937 -4.074 -15.142 1.00 2.32 O ATOM 5 CB ARG A 1 -13.384 -2.336 -16.693 1.00 35.33 C ATOM 6 CG ARG A 1 -14.294 -1.934 -15.530 1.00 23.34 C ATOM 7 CD ARG A 1 -14.879 -3.168 -14.840 1.00 12.04 C ATOM 8 NE ARG A 1 -15.956 -2.764 -13.908 1.00 3.40 N ATOM 9 CZ ARG A 1 -16.468 -3.565 -12.949 1.00 44.34 C ATOM 10 NH1 ARG A 1 -16.004 -4.822 -12.788 1.00 31.31 N ATOM 11 NH2 ARG A 1 -17.428 -3.100 -12.172 1.00 51.24 N ATOM 0 H1 ARG A 1 -11.604 -0.442 -17.293 1.00 33.35 H new ATOM 0 H2 ARG A 1 -10.188 -1.322 -16.972 1.00 33.35 H new ATOM 0 H3 ARG A 1 -11.241 -1.828 -18.204 1.00 33.35 H new ATOM 0 HA ARG A 1 -11.842 -1.725 -15.331 1.00 41.02 H new ATOM 0 HB2 ARG A 1 -13.590 -1.703 -17.556 1.00 35.33 H new ATOM 0 HB3 ARG A 1 -13.600 -3.362 -16.991 1.00 35.33 H new ATOM 0 HG2 ARG A 1 -13.729 -1.343 -14.809 1.00 23.34 H new ATOM 0 HG3 ARG A 1 -15.102 -1.301 -15.897 1.00 23.34 H new ATOM 0 HD2 ARG A 1 -15.272 -3.859 -15.585 1.00 12.04 H new ATOM 0 HD3 ARG A 1 -14.096 -3.697 -14.297 1.00 12.04 H new ATOM 0 HE ARG A 1 -16.335 -1.821 -13.996 1.00 3.40 H new ATOM 0 HH11 ARG A 1 -15.262 -5.173 -13.393 1.00 31.31 H new ATOM 0 HH12 ARG A 1 -16.396 -5.421 -12.061 1.00 31.31 H new ATOM 0 HH21 ARG A 1 -17.772 -2.149 -12.301 1.00 51.24 H new ATOM 0 HH22 ARG A 1 -17.826 -3.692 -11.443 1.00 51.24 H new ATOM 24 N GLY A 2 -11.180 -4.240 -17.384 1.00 51.41 N ATOM 25 CA GLY A 2 -10.610 -5.574 -17.459 1.00 33.11 C ATOM 26 C GLY A 2 -9.088 -5.529 -17.316 1.00 64.01 C ATOM 27 O GLY A 2 -8.557 -4.738 -16.539 1.00 4.45 O ATOM 0 H GLY A 2 -11.475 -3.852 -18.280 1.00 51.41 H new ATOM 0 HA2 GLY A 2 -11.034 -6.199 -16.673 1.00 33.11 H new ATOM 0 HA3 GLY A 2 -10.876 -6.034 -18.411 1.00 33.11 H new ATOM 31 N LYS A 3 -8.428 -6.388 -18.079 1.00 20.30 N ATOM 32 CA LYS A 3 -6.977 -6.456 -18.047 1.00 61.53 C ATOM 33 C LYS A 3 -6.397 -5.215 -18.727 1.00 53.44 C ATOM 34 O LYS A 3 -6.416 -5.108 -19.953 1.00 2.24 O ATOM 35 CB LYS A 3 -6.489 -7.774 -18.654 1.00 10.24 C ATOM 36 CG LYS A 3 -5.568 -8.516 -17.683 1.00 63.03 C ATOM 37 CD LYS A 3 -6.288 -9.706 -17.045 1.00 43.40 C ATOM 38 CE LYS A 3 -5.925 -11.011 -17.755 1.00 61.32 C ATOM 39 NZ LYS A 3 -7.031 -11.988 -17.641 1.00 21.24 N ATOM 0 H LYS A 3 -8.872 -7.043 -18.723 1.00 20.30 H new ATOM 0 HA LYS A 3 -6.618 -6.453 -17.018 1.00 61.53 H new ATOM 0 HB2 LYS A 3 -7.344 -8.403 -18.903 1.00 10.24 H new ATOM 0 HB3 LYS A 3 -5.958 -7.575 -19.585 1.00 10.24 H new ATOM 0 HG2 LYS A 3 -4.681 -8.864 -18.212 1.00 63.03 H new ATOM 0 HG3 LYS A 3 -5.228 -7.833 -16.905 1.00 63.03 H new ATOM 0 HD2 LYS A 3 -6.020 -9.775 -15.991 1.00 43.40 H new ATOM 0 HD3 LYS A 3 -7.366 -9.551 -17.091 1.00 43.40 H new ATOM 0 HE2 LYS A 3 -5.713 -10.813 -18.806 1.00 61.32 H new ATOM 0 HE3 LYS A 3 -5.017 -11.428 -17.320 1.00 61.32 H new ATOM 0 HZ1 LYS A 3 -6.768 -12.868 -18.128 1.00 21.24 H new ATOM 0 HZ2 LYS A 3 -7.214 -12.189 -16.637 1.00 21.24 H new ATOM 0 HZ3 LYS A 3 -7.889 -11.594 -18.077 1.00 21.24 H new ATOM 52 N TRP A 4 -5.896 -4.307 -17.903 1.00 14.25 N ATOM 53 CA TRP A 4 -5.312 -3.076 -18.409 1.00 74.50 C ATOM 54 C TRP A 4 -4.396 -3.435 -19.580 1.00 63.33 C ATOM 55 O TRP A 4 -3.249 -3.830 -19.377 1.00 64.11 O ATOM 56 CB TRP A 4 -4.590 -2.314 -17.297 1.00 13.24 C ATOM 57 CG TRP A 4 -4.998 -0.843 -17.184 1.00 63.33 C ATOM 58 CD1 TRP A 4 -5.192 -0.124 -16.071 1.00 14.13 C ATOM 59 CD2 TRP A 4 -5.254 0.064 -18.277 1.00 71.32 C ATOM 60 NE1 TRP A 4 -5.554 1.175 -16.365 1.00 11.25 N ATOM 61 CE2 TRP A 4 -5.593 1.293 -17.749 1.00 63.20 C ATOM 62 CE3 TRP A 4 -5.202 -0.147 -19.666 1.00 65.53 C ATOM 63 CZ2 TRP A 4 -5.905 2.406 -18.538 1.00 11.42 C ATOM 64 CZ3 TRP A 4 -5.516 0.975 -20.441 1.00 15.51 C ATOM 65 CH2 TRP A 4 -5.859 2.220 -19.925 1.00 34.55 C ATOM 0 H TRP A 4 -5.882 -4.399 -16.887 1.00 14.25 H new ATOM 0 HA TRP A 4 -6.088 -2.400 -18.768 1.00 74.50 H new ATOM 0 HB2 TRP A 4 -4.785 -2.809 -16.346 1.00 13.24 H new ATOM 0 HB3 TRP A 4 -3.515 -2.370 -17.471 1.00 13.24 H new ATOM 0 HD1 TRP A 4 -5.079 -0.512 -15.069 1.00 14.13 H new ATOM 0 HE1 TRP A 4 -5.756 1.913 -15.690 1.00 11.25 H new ATOM 0 HE3 TRP A 4 -4.940 -1.100 -20.101 1.00 65.53 H new ATOM 0 HZ2 TRP A 4 -6.167 3.358 -18.100 1.00 11.42 H new ATOM 0 HZ3 TRP A 4 -5.490 0.866 -21.515 1.00 15.51 H new ATOM 0 HH2 TRP A 4 -6.089 3.039 -20.591 1.00 34.55 H new ATOM 76 N THR A 5 -4.936 -3.285 -20.781 1.00 32.34 N ATOM 77 CA THR A 5 -4.181 -3.589 -21.985 1.00 12.45 C ATOM 78 C THR A 5 -4.228 -2.407 -22.955 1.00 41.11 C ATOM 79 O THR A 5 -5.288 -2.075 -23.484 1.00 65.03 O ATOM 80 CB THR A 5 -4.738 -4.884 -22.578 1.00 22.54 C ATOM 81 OG1 THR A 5 -4.697 -5.808 -21.493 1.00 65.35 O ATOM 82 CG2 THR A 5 -3.805 -5.497 -23.625 1.00 34.02 C ATOM 0 H THR A 5 -5.888 -2.957 -20.946 1.00 32.34 H new ATOM 0 HA THR A 5 -3.126 -3.745 -21.762 1.00 12.45 H new ATOM 0 HB THR A 5 -5.711 -4.688 -23.029 1.00 22.54 H new ATOM 0 HG1 THR A 5 -5.558 -5.802 -21.025 1.00 65.35 H new ATOM 0 HG21 THR A 5 -4.247 -6.414 -24.014 1.00 34.02 H new ATOM 0 HG22 THR A 5 -3.659 -4.790 -24.441 1.00 34.02 H new ATOM 0 HG23 THR A 5 -2.843 -5.725 -23.166 1.00 34.02 H new ATOM 90 N TYR A 6 -3.066 -1.804 -23.160 1.00 21.15 N ATOM 91 CA TYR A 6 -2.961 -0.666 -24.057 1.00 63.42 C ATOM 92 C TYR A 6 -2.157 -1.027 -25.308 1.00 23.30 C ATOM 93 O TYR A 6 -0.936 -1.166 -25.247 1.00 40.51 O ATOM 94 CB TYR A 6 -2.212 0.417 -23.279 1.00 24.01 C ATOM 95 CG TYR A 6 -2.075 1.742 -24.032 1.00 10.05 C ATOM 96 CD1 TYR A 6 -1.055 1.915 -24.946 1.00 34.43 C ATOM 97 CD2 TYR A 6 -2.971 2.765 -23.796 1.00 73.34 C ATOM 98 CE1 TYR A 6 -0.927 3.162 -25.654 1.00 61.30 C ATOM 99 CE2 TYR A 6 -2.843 4.012 -24.505 1.00 22.22 C ATOM 100 CZ TYR A 6 -1.827 4.149 -25.399 1.00 30.33 C ATOM 101 OH TYR A 6 -1.706 5.327 -26.068 1.00 24.43 O ATOM 0 H TYR A 6 -2.189 -2.082 -22.720 1.00 21.15 H new ATOM 0 HA TYR A 6 -3.949 -0.340 -24.381 1.00 63.42 H new ATOM 0 HB2 TYR A 6 -2.731 0.598 -22.337 1.00 24.01 H new ATOM 0 HB3 TYR A 6 -1.217 0.048 -23.029 1.00 24.01 H new ATOM 0 HD1 TYR A 6 -0.353 1.115 -25.130 1.00 34.43 H new ATOM 0 HD2 TYR A 6 -3.768 2.630 -23.080 1.00 73.34 H new ATOM 0 HE1 TYR A 6 -0.134 3.310 -26.372 1.00 61.30 H new ATOM 0 HE2 TYR A 6 -3.538 4.820 -24.331 1.00 22.22 H new ATOM 0 HH TYR A 6 -2.418 5.938 -25.786 1.00 24.43 H new ATOM 111 N ASN A 7 -2.874 -1.170 -26.413 1.00 2.51 N ATOM 112 CA ASN A 7 -2.242 -1.512 -27.676 1.00 54.31 C ATOM 113 C ASN A 7 -1.311 -2.708 -27.468 1.00 75.04 C ATOM 114 O ASN A 7 -0.127 -2.641 -27.792 1.00 4.43 O ATOM 115 CB ASN A 7 -1.404 -0.347 -28.206 1.00 51.21 C ATOM 116 CG ASN A 7 -1.435 -0.300 -29.735 1.00 53.20 C ATOM 117 OD1 ASN A 7 -2.344 0.237 -30.347 1.00 51.00 O ATOM 118 ND2 ASN A 7 -0.395 -0.890 -30.316 1.00 23.43 N ATOM 0 H ASN A 7 -3.886 -1.055 -26.460 1.00 2.51 H new ATOM 0 HA ASN A 7 -3.028 -1.746 -28.394 1.00 54.31 H new ATOM 0 HB2 ASN A 7 -1.783 0.592 -27.802 1.00 51.21 H new ATOM 0 HB3 ASN A 7 -0.375 -0.449 -27.863 1.00 51.21 H new ATOM 0 HD21 ASN A 7 -0.324 -0.912 -31.333 1.00 23.43 H new ATOM 0 HD22 ASN A 7 0.332 -1.321 -29.745 1.00 23.43 H new ATOM 125 N GLY A 8 -1.883 -3.775 -26.930 1.00 61.31 N ATOM 126 CA GLY A 8 -1.119 -4.985 -26.675 1.00 51.14 C ATOM 127 C GLY A 8 -0.569 -4.996 -25.248 1.00 0.43 C ATOM 128 O GLY A 8 -1.005 -5.790 -24.417 1.00 33.35 O ATOM 0 H GLY A 8 -2.866 -3.827 -26.664 1.00 61.31 H new ATOM 0 HA2 GLY A 8 -1.752 -5.859 -26.831 1.00 51.14 H new ATOM 0 HA3 GLY A 8 -0.296 -5.056 -27.386 1.00 51.14 H new ATOM 132 N ILE A 9 0.381 -4.104 -25.007 1.00 61.11 N ATOM 133 CA ILE A 9 0.995 -4.001 -23.694 1.00 44.13 C ATOM 134 C ILE A 9 -0.081 -4.161 -22.618 1.00 44.15 C ATOM 135 O ILE A 9 -1.217 -3.729 -22.803 1.00 53.33 O ATOM 136 CB ILE A 9 1.794 -2.701 -23.577 1.00 72.00 C ATOM 137 CG1 ILE A 9 3.243 -2.982 -23.175 1.00 62.24 C ATOM 138 CG2 ILE A 9 1.112 -1.724 -22.617 1.00 43.32 C ATOM 139 CD1 ILE A 9 3.366 -3.168 -21.662 1.00 5.13 C ATOM 0 H ILE A 9 0.740 -3.446 -25.699 1.00 61.11 H new ATOM 0 HA ILE A 9 1.715 -4.805 -23.546 1.00 44.13 H new ATOM 0 HB ILE A 9 1.819 -2.225 -24.557 1.00 72.00 H new ATOM 0 HG12 ILE A 9 3.599 -3.877 -23.685 1.00 62.24 H new ATOM 0 HG13 ILE A 9 3.880 -2.158 -23.497 1.00 62.24 H new ATOM 0 HG21 ILE A 9 1.700 -0.808 -22.551 1.00 43.32 H new ATOM 0 HG22 ILE A 9 0.114 -1.489 -22.986 1.00 43.32 H new ATOM 0 HG23 ILE A 9 1.036 -2.178 -21.629 1.00 43.32 H new ATOM 0 HD11 ILE A 9 4.406 -3.366 -21.403 1.00 5.13 H new ATOM 0 HD12 ILE A 9 3.033 -2.262 -21.156 1.00 5.13 H new ATOM 0 HD13 ILE A 9 2.747 -4.008 -21.347 1.00 5.13 H new ATOM 151 N THR A 10 0.316 -4.783 -21.518 1.00 70.00 N ATOM 152 CA THR A 10 -0.600 -5.005 -20.412 1.00 74.55 C ATOM 153 C THR A 10 -0.068 -4.347 -19.138 1.00 72.11 C ATOM 154 O THR A 10 0.977 -4.740 -18.622 1.00 33.32 O ATOM 155 CB THR A 10 -0.816 -6.514 -20.273 1.00 4.31 C ATOM 156 OG1 THR A 10 -0.627 -7.015 -21.593 1.00 41.04 O ATOM 157 CG2 THR A 10 -2.267 -6.870 -19.943 1.00 25.21 C ATOM 0 H THR A 10 1.260 -5.140 -21.369 1.00 70.00 H new ATOM 0 HA THR A 10 -1.567 -4.539 -20.600 1.00 74.55 H new ATOM 0 HB THR A 10 -0.161 -6.904 -19.494 1.00 4.31 H new ATOM 0 HG1 THR A 10 -0.747 -7.988 -21.594 1.00 41.04 H new ATOM 0 HG21 THR A 10 -2.365 -7.952 -19.855 1.00 25.21 H new ATOM 0 HG22 THR A 10 -2.551 -6.402 -19.000 1.00 25.21 H new ATOM 0 HG23 THR A 10 -2.920 -6.510 -20.738 1.00 25.21 H new ATOM 165 N TYR A 11 -0.811 -3.356 -18.667 1.00 73.45 N ATOM 166 CA TYR A 11 -0.427 -2.640 -17.463 1.00 54.42 C ATOM 167 C TYR A 11 -1.087 -3.253 -16.226 1.00 63.03 C ATOM 168 O TYR A 11 -2.158 -2.817 -15.809 1.00 13.31 O ATOM 169 CB TYR A 11 -0.939 -1.209 -17.643 1.00 32.03 C ATOM 170 CG TYR A 11 -0.097 -0.362 -18.600 1.00 34.55 C ATOM 171 CD1 TYR A 11 0.859 -0.963 -19.393 1.00 1.13 C ATOM 172 CD2 TYR A 11 -0.295 1.002 -18.669 1.00 64.24 C ATOM 173 CE1 TYR A 11 1.651 -0.166 -20.293 1.00 64.12 C ATOM 174 CE2 TYR A 11 0.498 1.799 -19.570 1.00 33.40 C ATOM 175 CZ TYR A 11 1.432 1.175 -20.337 1.00 54.34 C ATOM 176 OH TYR A 11 2.180 1.928 -21.188 1.00 32.11 O ATOM 0 H TYR A 11 -1.677 -3.032 -19.098 1.00 73.45 H new ATOM 0 HA TYR A 11 0.652 -2.683 -17.318 1.00 54.42 H new ATOM 0 HB2 TYR A 11 -1.964 -1.245 -18.012 1.00 32.03 H new ATOM 0 HB3 TYR A 11 -0.967 -0.719 -16.670 1.00 32.03 H new ATOM 0 HD1 TYR A 11 1.013 -2.031 -19.339 1.00 1.13 H new ATOM 0 HD2 TYR A 11 -1.044 1.472 -18.048 1.00 64.24 H new ATOM 0 HE1 TYR A 11 2.403 -0.623 -20.919 1.00 64.12 H new ATOM 0 HE2 TYR A 11 0.354 2.867 -19.635 1.00 33.40 H new ATOM 0 HH TYR A 11 1.914 2.868 -21.113 1.00 32.11 H new ATOM 186 N GLU A 12 -0.419 -4.256 -15.675 1.00 3.53 N ATOM 187 CA GLU A 12 -0.926 -4.933 -14.494 1.00 34.30 C ATOM 188 C GLU A 12 -0.941 -3.978 -13.299 1.00 25.44 C ATOM 189 O GLU A 12 -0.100 -3.086 -13.203 1.00 1.50 O ATOM 190 CB GLU A 12 -0.105 -6.186 -14.185 1.00 65.21 C ATOM 191 CG GLU A 12 -0.764 -7.434 -14.775 1.00 73.14 C ATOM 192 CD GLU A 12 -2.034 -7.800 -14.003 1.00 65.54 C ATOM 193 OE1 GLU A 12 -3.060 -7.117 -14.137 1.00 65.23 O ATOM 194 OE2 GLU A 12 -1.929 -8.837 -13.243 1.00 20.21 O ATOM 0 H GLU A 12 0.469 -4.616 -16.025 1.00 3.53 H new ATOM 0 HA GLU A 12 -1.950 -5.250 -14.693 1.00 34.30 H new ATOM 0 HB2 GLU A 12 0.901 -6.075 -14.591 1.00 65.21 H new ATOM 0 HB3 GLU A 12 -0.002 -6.301 -13.106 1.00 65.21 H new ATOM 0 HG2 GLU A 12 -1.008 -7.260 -15.823 1.00 73.14 H new ATOM 0 HG3 GLU A 12 -0.063 -8.268 -14.746 1.00 73.14 H new ATOM 202 N GLY A 13 -1.905 -4.199 -12.417 1.00 44.00 N ATOM 203 CA GLY A 13 -2.039 -3.369 -11.232 1.00 32.22 C ATOM 204 C GLY A 13 -3.275 -3.767 -10.422 1.00 2.53 C ATOM 205 O GLY A 13 -4.250 -4.269 -10.977 1.00 73.50 O ATOM 0 H GLY A 13 -2.600 -4.941 -12.499 1.00 44.00 H new ATOM 0 HA2 GLY A 13 -1.147 -3.466 -10.613 1.00 32.22 H new ATOM 0 HA3 GLY A 13 -2.112 -2.321 -11.524 1.00 32.22 H new ATOM 209 N GLY A 14 -3.193 -3.526 -9.121 1.00 40.24 N ATOM 210 CA GLY A 14 -4.292 -3.852 -8.229 1.00 74.22 C ATOM 211 C GLY A 14 -4.690 -2.641 -7.383 1.00 54.13 C ATOM 212 O GLY A 14 -5.774 -2.085 -7.559 1.00 64.41 O ATOM 0 H GLY A 14 -2.382 -3.109 -8.664 1.00 40.24 H new ATOM 0 HA2 GLY A 14 -5.149 -4.191 -8.811 1.00 74.22 H new ATOM 0 HA3 GLY A 14 -4.003 -4.676 -7.577 1.00 74.22 H new ATOM 216 N GLY A 15 -3.793 -2.267 -6.484 1.00 25.04 N ATOM 217 CA GLY A 15 -4.036 -1.132 -5.610 1.00 13.20 C ATOM 218 C GLY A 15 -3.394 0.139 -6.170 1.00 71.01 C ATOM 219 O GLY A 15 -2.196 0.360 -6.000 1.00 12.42 O ATOM 0 H GLY A 15 -2.895 -2.730 -6.341 1.00 25.04 H new ATOM 0 HA2 GLY A 15 -5.109 -0.981 -5.494 1.00 13.20 H new ATOM 0 HA3 GLY A 15 -3.635 -1.340 -4.618 1.00 13.20 H new ATOM 223 N GLY A 16 -4.219 0.941 -6.827 1.00 75.30 N ATOM 224 CA GLY A 16 -3.747 2.183 -7.413 1.00 51.52 C ATOM 225 C GLY A 16 -2.958 3.006 -6.393 1.00 24.13 C ATOM 226 O GLY A 16 -3.173 2.880 -5.188 1.00 71.43 O ATOM 0 H GLY A 16 -5.212 0.754 -6.966 1.00 75.30 H new ATOM 0 HA2 GLY A 16 -3.117 1.966 -8.276 1.00 51.52 H new ATOM 0 HA3 GLY A 16 -4.595 2.763 -7.776 1.00 51.52 H new ATOM 230 N GLY A 17 -2.060 3.830 -6.912 1.00 43.10 N ATOM 231 CA GLY A 17 -1.237 4.673 -6.061 1.00 51.11 C ATOM 232 C GLY A 17 -1.257 6.125 -6.543 1.00 73.04 C ATOM 233 O GLY A 17 -1.700 7.017 -5.821 1.00 60.31 O ATOM 0 H GLY A 17 -1.884 3.932 -7.912 1.00 43.10 H new ATOM 0 HA2 GLY A 17 -1.599 4.622 -5.034 1.00 51.11 H new ATOM 0 HA3 GLY A 17 -0.212 4.302 -6.057 1.00 51.11 H new ATOM 237 N GLY A 18 -0.773 6.317 -7.761 1.00 45.14 N ATOM 238 CA GLY A 18 -0.729 7.645 -8.349 1.00 14.53 C ATOM 239 C GLY A 18 -2.077 8.013 -8.973 1.00 61.25 C ATOM 240 O GLY A 18 -3.064 7.301 -8.793 1.00 4.03 O ATOM 0 H GLY A 18 -0.408 5.575 -8.357 1.00 45.14 H new ATOM 0 HA2 GLY A 18 -0.466 8.376 -7.585 1.00 14.53 H new ATOM 0 HA3 GLY A 18 0.051 7.684 -9.110 1.00 14.53 H new ATOM 244 N GLY A 19 -2.075 9.124 -9.696 1.00 30.42 N ATOM 245 CA GLY A 19 -3.285 9.594 -10.348 1.00 51.03 C ATOM 246 C GLY A 19 -4.271 10.168 -9.328 1.00 64.41 C ATOM 247 O GLY A 19 -3.866 10.829 -8.373 1.00 54.54 O ATOM 0 H GLY A 19 -1.255 9.712 -9.844 1.00 30.42 H new ATOM 0 HA2 GLY A 19 -3.033 10.357 -11.084 1.00 51.03 H new ATOM 0 HA3 GLY A 19 -3.754 8.772 -10.889 1.00 51.03 H new ATOM 251 N GLY A 20 -5.545 9.893 -9.565 1.00 21.42 N ATOM 252 CA GLY A 20 -6.591 10.373 -8.678 1.00 73.15 C ATOM 253 C GLY A 20 -6.700 9.493 -7.431 1.00 50.42 C ATOM 254 O GLY A 20 -6.092 9.790 -6.404 1.00 32.54 O ATOM 0 H GLY A 20 -5.877 9.344 -10.358 1.00 21.42 H new ATOM 0 HA2 GLY A 20 -6.380 11.401 -8.384 1.00 73.15 H new ATOM 0 HA3 GLY A 20 -7.545 10.381 -9.206 1.00 73.15 H new ATOM 258 N SER A 21 -7.479 8.430 -7.562 1.00 63.54 N ATOM 259 CA SER A 21 -7.675 7.505 -6.459 1.00 22.03 C ATOM 260 C SER A 21 -8.227 8.251 -5.243 1.00 10.44 C ATOM 261 O SER A 21 -7.684 8.143 -4.144 1.00 74.01 O ATOM 262 CB SER A 21 -6.369 6.794 -6.097 1.00 52.12 C ATOM 263 OG SER A 21 -5.467 6.741 -7.199 1.00 52.42 O ATOM 0 H SER A 21 -7.982 8.188 -8.416 1.00 63.54 H new ATOM 0 HA SER A 21 -8.395 6.748 -6.771 1.00 22.03 H new ATOM 0 HB2 SER A 21 -5.893 7.311 -5.264 1.00 52.12 H new ATOM 0 HB3 SER A 21 -6.589 5.781 -5.760 1.00 52.12 H new ATOM 0 HG SER A 21 -4.645 6.281 -6.927 1.00 52.42 H new ATOM 269 N ALA A 22 -9.299 8.993 -5.480 1.00 73.51 N ATOM 270 CA ALA A 22 -9.931 9.757 -4.418 1.00 31.21 C ATOM 271 C ALA A 22 -10.826 8.830 -3.592 1.00 2.51 C ATOM 272 O ALA A 22 -10.995 9.034 -2.391 1.00 25.45 O ATOM 273 CB ALA A 22 -10.706 10.929 -5.024 1.00 33.44 C ATOM 0 H ALA A 22 -9.746 9.081 -6.393 1.00 73.51 H new ATOM 0 HA ALA A 22 -9.181 10.175 -3.747 1.00 31.21 H new ATOM 0 HB1 ALA A 22 -11.180 11.502 -4.227 1.00 33.44 H new ATOM 0 HB2 ALA A 22 -10.020 11.572 -5.575 1.00 33.44 H new ATOM 0 HB3 ALA A 22 -11.470 10.548 -5.702 1.00 33.44 H new ATOM 279 N ALA A 23 -11.376 7.833 -4.269 1.00 3.12 N ATOM 280 CA ALA A 23 -12.249 6.875 -3.613 1.00 21.15 C ATOM 281 C ALA A 23 -11.455 5.609 -3.284 1.00 43.13 C ATOM 282 O ALA A 23 -11.862 4.820 -2.433 1.00 63.11 O ATOM 283 CB ALA A 23 -13.457 6.590 -4.506 1.00 74.45 C ATOM 0 H ALA A 23 -11.234 7.668 -5.265 1.00 3.12 H new ATOM 0 HA ALA A 23 -12.626 7.280 -2.674 1.00 21.15 H new ATOM 0 HB1 ALA A 23 -14.112 5.871 -4.014 1.00 74.45 H new ATOM 0 HB2 ALA A 23 -14.004 7.516 -4.685 1.00 74.45 H new ATOM 0 HB3 ALA A 23 -13.118 6.180 -5.457 1.00 74.45 H new ATOM 289 N GLU A 24 -10.336 5.455 -3.977 1.00 23.13 N ATOM 290 CA GLU A 24 -9.481 4.298 -3.769 1.00 43.45 C ATOM 291 C GLU A 24 -8.442 4.593 -2.685 1.00 54.42 C ATOM 292 O GLU A 24 -7.806 3.678 -2.165 1.00 0.52 O ATOM 293 CB GLU A 24 -8.805 3.875 -5.075 1.00 41.11 C ATOM 294 CG GLU A 24 -9.806 3.207 -6.019 1.00 73.14 C ATOM 295 CD GLU A 24 -9.101 2.234 -6.967 1.00 34.02 C ATOM 296 OE1 GLU A 24 -8.175 2.633 -7.689 1.00 34.15 O ATOM 297 OE2 GLU A 24 -9.547 1.024 -6.936 1.00 23.32 O ATOM 0 H GLU A 24 -10.002 6.111 -4.682 1.00 23.13 H new ATOM 0 HA GLU A 24 -10.102 3.468 -3.433 1.00 43.45 H new ATOM 0 HB2 GLU A 24 -8.367 4.747 -5.561 1.00 41.11 H new ATOM 0 HB3 GLU A 24 -7.988 3.187 -4.859 1.00 41.11 H new ATOM 0 HG2 GLU A 24 -10.559 2.674 -5.438 1.00 73.14 H new ATOM 0 HG3 GLU A 24 -10.330 3.968 -6.597 1.00 73.14 H new ATOM 305 N ALA A 25 -8.303 5.874 -2.377 1.00 13.42 N ATOM 306 CA ALA A 25 -7.353 6.301 -1.364 1.00 10.42 C ATOM 307 C ALA A 25 -8.070 6.426 -0.018 1.00 71.40 C ATOM 308 O ALA A 25 -7.545 7.030 0.916 1.00 50.13 O ATOM 309 CB ALA A 25 -6.698 7.614 -1.799 1.00 32.01 C ATOM 0 H ALA A 25 -8.832 6.630 -2.811 1.00 13.42 H new ATOM 0 HA ALA A 25 -6.559 5.563 -1.248 1.00 10.42 H new ATOM 0 HB1 ALA A 25 -5.985 7.934 -1.039 1.00 32.01 H new ATOM 0 HB2 ALA A 25 -6.177 7.465 -2.745 1.00 32.01 H new ATOM 0 HB3 ALA A 25 -7.464 8.379 -1.923 1.00 32.01 H new ATOM 315 N TYR A 26 -9.259 5.844 0.039 1.00 70.33 N ATOM 316 CA TYR A 26 -10.054 5.882 1.255 1.00 64.43 C ATOM 317 C TYR A 26 -10.468 4.472 1.683 1.00 53.41 C ATOM 318 O TYR A 26 -10.404 4.134 2.864 1.00 44.41 O ATOM 319 CB TYR A 26 -11.308 6.688 0.914 1.00 52.03 C ATOM 320 CG TYR A 26 -12.603 5.874 0.960 1.00 63.13 C ATOM 321 CD1 TYR A 26 -13.021 5.310 2.148 1.00 72.44 C ATOM 322 CD2 TYR A 26 -13.352 5.704 -0.187 1.00 32.13 C ATOM 323 CE1 TYR A 26 -14.240 4.543 2.191 1.00 44.40 C ATOM 324 CE2 TYR A 26 -14.571 4.938 -0.143 1.00 63.44 C ATOM 325 CZ TYR A 26 -14.954 4.395 1.043 1.00 12.23 C ATOM 326 OH TYR A 26 -16.105 3.672 1.084 1.00 20.43 O ATOM 0 H TYR A 26 -9.691 5.343 -0.737 1.00 70.33 H new ATOM 0 HA TYR A 26 -9.484 6.323 2.073 1.00 64.43 H new ATOM 0 HB2 TYR A 26 -11.391 7.523 1.610 1.00 52.03 H new ATOM 0 HB3 TYR A 26 -11.194 7.114 -0.083 1.00 52.03 H new ATOM 0 HD1 TYR A 26 -12.435 5.443 3.045 1.00 72.44 H new ATOM 0 HD2 TYR A 26 -13.024 6.145 -1.117 1.00 32.13 H new ATOM 0 HE1 TYR A 26 -14.579 4.096 3.114 1.00 44.40 H new ATOM 0 HE2 TYR A 26 -15.167 4.798 -1.032 1.00 63.44 H new ATOM 0 HH TYR A 26 -16.510 3.651 0.192 1.00 20.43 H new ATOM 336 N ALA A 27 -10.885 3.688 0.700 1.00 40.33 N ATOM 337 CA ALA A 27 -11.310 2.323 0.960 1.00 52.51 C ATOM 338 C ALA A 27 -10.079 1.448 1.202 1.00 72.20 C ATOM 339 O ALA A 27 -10.206 0.275 1.552 1.00 50.34 O ATOM 340 CB ALA A 27 -12.162 1.822 -0.208 1.00 44.34 C ATOM 0 H ALA A 27 -10.938 3.972 -0.278 1.00 40.33 H new ATOM 0 HA ALA A 27 -11.928 2.277 1.857 1.00 52.51 H new ATOM 0 HB1 ALA A 27 -12.481 0.798 -0.013 1.00 44.34 H new ATOM 0 HB2 ALA A 27 -13.039 2.460 -0.319 1.00 44.34 H new ATOM 0 HB3 ALA A 27 -11.574 1.850 -1.126 1.00 44.34 H new ATOM 346 N LYS A 28 -8.916 2.051 1.006 1.00 22.23 N ATOM 347 CA LYS A 28 -7.663 1.341 1.199 1.00 61.40 C ATOM 348 C LYS A 28 -7.278 1.387 2.679 1.00 44.21 C ATOM 349 O LYS A 28 -6.743 0.418 3.216 1.00 42.24 O ATOM 350 CB LYS A 28 -6.584 1.893 0.265 1.00 15.50 C ATOM 351 CG LYS A 28 -6.371 3.390 0.499 1.00 10.34 C ATOM 352 CD LYS A 28 -4.934 3.798 0.167 1.00 31.25 C ATOM 353 CE LYS A 28 -4.669 3.697 -1.336 1.00 30.30 C ATOM 354 NZ LYS A 28 -3.926 2.455 -1.649 1.00 14.31 N ATOM 0 H LYS A 28 -8.815 3.023 0.715 1.00 22.23 H new ATOM 0 HA LYS A 28 -7.776 0.290 0.931 1.00 61.40 H new ATOM 0 HB2 LYS A 28 -5.648 1.359 0.429 1.00 15.50 H new ATOM 0 HB3 LYS A 28 -6.872 1.721 -0.772 1.00 15.50 H new ATOM 0 HG2 LYS A 28 -7.066 3.960 -0.117 1.00 10.34 H new ATOM 0 HG3 LYS A 28 -6.591 3.634 1.538 1.00 10.34 H new ATOM 0 HD2 LYS A 28 -4.755 4.819 0.504 1.00 31.25 H new ATOM 0 HD3 LYS A 28 -4.236 3.158 0.707 1.00 31.25 H new ATOM 0 HE2 LYS A 28 -5.614 3.709 -1.880 1.00 30.30 H new ATOM 0 HE3 LYS A 28 -4.098 4.563 -1.670 1.00 30.30 H new ATOM 0 HZ1 LYS A 28 -3.651 2.458 -2.652 1.00 14.31 H new ATOM 0 HZ2 LYS A 28 -3.073 2.402 -1.056 1.00 14.31 H new ATOM 0 HZ3 LYS A 28 -4.531 1.631 -1.459 1.00 14.31 H new ATOM 367 N ARG A 29 -7.564 2.524 3.297 1.00 74.44 N ATOM 368 CA ARG A 29 -7.255 2.709 4.704 1.00 3.31 C ATOM 369 C ARG A 29 -8.369 2.126 5.574 1.00 35.35 C ATOM 370 O ARG A 29 -8.098 1.459 6.572 1.00 14.10 O ATOM 371 CB ARG A 29 -7.079 4.192 5.038 1.00 33.05 C ATOM 372 CG ARG A 29 -6.280 4.909 3.949 1.00 65.12 C ATOM 373 CD ARG A 29 -5.558 6.134 4.514 1.00 20.24 C ATOM 374 NE ARG A 29 -4.916 6.894 3.419 1.00 61.33 N ATOM 375 CZ ARG A 29 -5.528 7.870 2.715 1.00 64.11 C ATOM 376 NH1 ARG A 29 -6.804 8.214 2.987 1.00 34.42 N ATOM 377 NH2 ARG A 29 -4.859 8.483 1.756 1.00 4.35 N ATOM 0 H ARG A 29 -8.006 3.326 2.848 1.00 74.44 H new ATOM 0 HA ARG A 29 -6.320 2.188 4.909 1.00 3.31 H new ATOM 0 HB2 ARG A 29 -8.056 4.662 5.146 1.00 33.05 H new ATOM 0 HB3 ARG A 29 -6.568 4.294 5.996 1.00 33.05 H new ATOM 0 HG2 ARG A 29 -5.553 4.222 3.515 1.00 65.12 H new ATOM 0 HG3 ARG A 29 -6.949 5.216 3.145 1.00 65.12 H new ATOM 0 HD2 ARG A 29 -6.266 6.771 5.043 1.00 20.24 H new ATOM 0 HD3 ARG A 29 -4.807 5.821 5.239 1.00 20.24 H new ATOM 0 HE ARG A 29 -3.951 6.666 3.181 1.00 61.33 H new ATOM 0 HH11 ARG A 29 -7.314 7.736 3.730 1.00 34.42 H new ATOM 0 HH12 ARG A 29 -7.259 8.953 2.450 1.00 34.42 H new ATOM 0 HH21 ARG A 29 -3.895 8.217 1.557 1.00 4.35 H new ATOM 0 HH22 ARG A 29 -5.306 9.223 1.215 1.00 4.35 H new ATOM 390 N ILE A 30 -9.600 2.398 5.165 1.00 21.51 N ATOM 391 CA ILE A 30 -10.757 1.908 5.895 1.00 22.31 C ATOM 392 C ILE A 30 -10.468 0.497 6.413 1.00 1.42 C ATOM 393 O ILE A 30 -10.633 0.222 7.601 1.00 52.43 O ATOM 394 CB ILE A 30 -12.015 1.999 5.029 1.00 1.01 C ATOM 395 CG1 ILE A 30 -12.309 3.449 4.641 1.00 51.51 C ATOM 396 CG2 ILE A 30 -13.207 1.338 5.723 1.00 15.23 C ATOM 397 CD1 ILE A 30 -13.600 3.942 5.299 1.00 44.11 C ATOM 0 H ILE A 30 -9.821 2.952 4.337 1.00 21.51 H new ATOM 0 HA ILE A 30 -10.951 2.534 6.766 1.00 22.31 H new ATOM 0 HB ILE A 30 -11.835 1.449 4.105 1.00 1.01 H new ATOM 0 HG12 ILE A 30 -11.477 4.086 4.942 1.00 51.51 H new ATOM 0 HG13 ILE A 30 -12.395 3.529 3.557 1.00 51.51 H new ATOM 0 HG21 ILE A 30 -14.088 1.417 5.086 1.00 15.23 H new ATOM 0 HG22 ILE A 30 -12.984 0.287 5.906 1.00 15.23 H new ATOM 0 HG23 ILE A 30 -13.399 1.839 6.672 1.00 15.23 H new ATOM 0 HD11 ILE A 30 -13.786 4.976 5.007 1.00 44.11 H new ATOM 0 HD12 ILE A 30 -14.434 3.318 4.977 1.00 44.11 H new ATOM 0 HD13 ILE A 30 -13.501 3.884 6.383 1.00 44.11 H new ATOM 409 N ALA A 31 -10.041 -0.359 5.497 1.00 74.31 N ATOM 410 CA ALA A 31 -9.728 -1.734 5.846 1.00 20.43 C ATOM 411 C ALA A 31 -8.961 -1.758 7.170 1.00 13.41 C ATOM 412 O ALA A 31 -9.325 -2.490 8.089 1.00 2.23 O ATOM 413 CB ALA A 31 -8.942 -2.385 4.706 1.00 40.41 C ATOM 0 H ALA A 31 -9.904 -0.127 4.513 1.00 74.31 H new ATOM 0 HA ALA A 31 -10.642 -2.312 5.983 1.00 20.43 H new ATOM 0 HB1 ALA A 31 -8.707 -3.417 4.968 1.00 40.41 H new ATOM 0 HB2 ALA A 31 -9.541 -2.369 3.796 1.00 40.41 H new ATOM 0 HB3 ALA A 31 -8.017 -1.833 4.541 1.00 40.41 H new ATOM 419 N GLU A 32 -7.915 -0.947 7.225 1.00 24.43 N ATOM 420 CA GLU A 32 -7.094 -0.866 8.421 1.00 5.34 C ATOM 421 C GLU A 32 -7.975 -0.682 9.659 1.00 43.25 C ATOM 422 O GLU A 32 -7.904 -1.472 10.598 1.00 34.52 O ATOM 423 CB GLU A 32 -6.068 0.264 8.306 1.00 23.52 C ATOM 424 CG GLU A 32 -5.226 0.112 7.038 1.00 43.13 C ATOM 425 CD GLU A 32 -3.759 0.450 7.310 1.00 45.41 C ATOM 426 OE1 GLU A 32 -3.026 -0.377 7.872 1.00 4.10 O ATOM 427 OE2 GLU A 32 -3.386 1.620 6.914 1.00 12.41 O ATOM 0 H GLU A 32 -7.617 -0.340 6.461 1.00 24.43 H new ATOM 0 HA GLU A 32 -6.545 -1.802 8.525 1.00 5.34 H new ATOM 0 HB2 GLU A 32 -6.581 1.226 8.293 1.00 23.52 H new ATOM 0 HB3 GLU A 32 -5.418 0.261 9.181 1.00 23.52 H new ATOM 0 HG2 GLU A 32 -5.304 -0.909 6.665 1.00 43.13 H new ATOM 0 HG3 GLU A 32 -5.615 0.767 6.258 1.00 43.13 H new ATOM 435 N ALA A 33 -8.784 0.366 9.619 1.00 53.23 N ATOM 436 CA ALA A 33 -9.678 0.664 10.725 1.00 72.01 C ATOM 437 C ALA A 33 -10.531 -0.569 11.032 1.00 52.45 C ATOM 438 O ALA A 33 -10.643 -0.979 12.186 1.00 70.03 O ATOM 439 CB ALA A 33 -10.527 1.889 10.380 1.00 41.30 C ATOM 0 H ALA A 33 -8.839 1.020 8.838 1.00 53.23 H new ATOM 0 HA ALA A 33 -9.110 0.904 11.624 1.00 72.01 H new ATOM 0 HB1 ALA A 33 -11.198 2.112 11.210 1.00 41.30 H new ATOM 0 HB2 ALA A 33 -9.876 2.744 10.200 1.00 41.30 H new ATOM 0 HB3 ALA A 33 -11.114 1.685 9.484 1.00 41.30 H new ATOM 445 N MET A 34 -11.111 -1.125 9.978 1.00 40.51 N ATOM 446 CA MET A 34 -11.951 -2.302 10.120 1.00 45.00 C ATOM 447 C MET A 34 -11.139 -3.497 10.624 1.00 5.32 C ATOM 448 O MET A 34 -11.705 -4.519 11.009 1.00 42.30 O ATOM 449 CB MET A 34 -12.580 -2.646 8.769 1.00 73.22 C ATOM 450 CG MET A 34 -13.551 -1.551 8.321 1.00 23.14 C ATOM 451 SD MET A 34 -14.149 -1.900 6.676 1.00 21.53 S ATOM 452 CE MET A 34 -15.690 -1.000 6.709 1.00 45.51 C ATOM 0 H MET A 34 -11.016 -0.782 9.022 1.00 40.51 H new ATOM 0 HA MET A 34 -12.731 -2.083 10.849 1.00 45.00 H new ATOM 0 HB2 MET A 34 -11.797 -2.771 8.021 1.00 73.22 H new ATOM 0 HB3 MET A 34 -13.107 -3.597 8.841 1.00 73.22 H new ATOM 0 HG2 MET A 34 -14.389 -1.490 9.016 1.00 23.14 H new ATOM 0 HG3 MET A 34 -13.052 -0.582 8.337 1.00 23.14 H new ATOM 0 HE1 MET A 34 -16.189 -1.097 5.745 1.00 45.51 H new ATOM 0 HE2 MET A 34 -16.331 -1.405 7.492 1.00 45.51 H new ATOM 0 HE3 MET A 34 -15.492 0.053 6.911 1.00 45.51 H new ATOM 462 N ALA A 35 -9.824 -3.328 10.606 1.00 75.51 N ATOM 463 CA ALA A 35 -8.929 -4.380 11.057 1.00 61.35 C ATOM 464 C ALA A 35 -8.485 -4.087 12.491 1.00 51.51 C ATOM 465 O ALA A 35 -8.425 -2.928 12.901 1.00 21.40 O ATOM 466 CB ALA A 35 -7.747 -4.492 10.092 1.00 63.42 C ATOM 0 H ALA A 35 -9.358 -2.479 10.286 1.00 75.51 H new ATOM 0 HA ALA A 35 -9.440 -5.343 11.061 1.00 61.35 H new ATOM 0 HB1 ALA A 35 -7.075 -5.281 10.430 1.00 63.42 H new ATOM 0 HB2 ALA A 35 -8.114 -4.730 9.094 1.00 63.42 H new ATOM 0 HB3 ALA A 35 -7.209 -3.544 10.064 1.00 63.42 H new ATOM 472 N LYS A 36 -8.186 -5.155 13.214 1.00 22.34 N ATOM 473 CA LYS A 36 -7.749 -5.027 14.594 1.00 13.34 C ATOM 474 C LYS A 36 -6.794 -3.838 14.714 1.00 41.42 C ATOM 475 O LYS A 36 -7.101 -2.856 15.388 1.00 43.51 O ATOM 476 CB LYS A 36 -7.155 -6.345 15.094 1.00 73.44 C ATOM 477 CG LYS A 36 -7.297 -6.471 16.612 1.00 51.31 C ATOM 478 CD LYS A 36 -6.386 -5.475 17.332 1.00 41.53 C ATOM 479 CE LYS A 36 -6.339 -5.761 18.834 1.00 53.30 C ATOM 480 NZ LYS A 36 -5.169 -5.098 19.452 1.00 53.51 N ATOM 0 H LYS A 36 -8.238 -6.114 12.870 1.00 22.34 H new ATOM 0 HA LYS A 36 -8.599 -4.821 15.244 1.00 13.34 H new ATOM 0 HB2 LYS A 36 -7.657 -7.182 14.608 1.00 73.44 H new ATOM 0 HB3 LYS A 36 -6.102 -6.401 14.818 1.00 73.44 H new ATOM 0 HG2 LYS A 36 -8.334 -6.295 16.900 1.00 51.31 H new ATOM 0 HG3 LYS A 36 -7.048 -7.486 16.921 1.00 51.31 H new ATOM 0 HD2 LYS A 36 -5.380 -5.531 16.916 1.00 41.53 H new ATOM 0 HD3 LYS A 36 -6.745 -4.460 17.163 1.00 41.53 H new ATOM 0 HE2 LYS A 36 -7.256 -5.408 19.306 1.00 53.30 H new ATOM 0 HE3 LYS A 36 -6.287 -6.836 19.004 1.00 53.30 H new ATOM 0 HZ1 LYS A 36 -5.152 -5.303 20.472 1.00 53.51 H new ATOM 0 HZ2 LYS A 36 -4.296 -5.454 19.013 1.00 53.51 H new ATOM 0 HZ3 LYS A 36 -5.235 -4.070 19.306 1.00 53.51 H new ATOM 493 N GLY A 37 -5.655 -3.965 14.049 1.00 30.40 N ATOM 494 CA GLY A 37 -4.653 -2.914 14.072 1.00 2.42 C ATOM 495 C GLY A 37 -3.441 -3.292 13.219 1.00 64.40 C ATOM 496 O GLY A 37 -2.301 -3.186 13.671 1.00 55.44 O ATOM 0 H GLY A 37 -5.404 -4.781 13.491 1.00 30.40 H new ATOM 0 HA2 GLY A 37 -5.087 -1.985 13.702 1.00 2.42 H new ATOM 0 HA3 GLY A 37 -4.336 -2.731 15.099 1.00 2.42 H new TER 500 GLY A 37