USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -143:sc= -1.26 (180deg=-1.75) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -146:sc= -0.0737 (180deg=-0.392) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.124 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -0.0584 (180deg=-0.434) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00595 USER MOD Single : A 79 ASN : amide:sc= -0.0538 X(o=-0.054,f=-0.27) USER MOD Single : A 80 THR OG1 : rot 120:sc= 0.257 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -11.695 -8.780 -1.228 1.00 63.42 N ATOM 2 CA GLY A 41 -12.625 -9.316 -2.203 1.00 74.41 C ATOM 3 C GLY A 41 -12.825 -10.811 -2.054 1.00 25.24 C ATOM 4 O GLY A 41 -12.275 -11.446 -1.153 1.00 45.33 O ATOM 0 HA2 GLY A 41 -13.586 -8.812 -2.099 1.00 74.41 H new ATOM 0 HA3 GLY A 41 -12.259 -9.100 -3.207 1.00 74.41 H new ATOM 8 N PRO A 42 -13.630 -11.398 -2.952 1.00 50.22 N ATOM 9 CA PRO A 42 -13.921 -12.835 -2.937 1.00 4.23 C ATOM 10 C PRO A 42 -12.710 -13.675 -3.328 1.00 42.32 C ATOM 11 O PRO A 42 -12.618 -14.852 -2.978 1.00 54.11 O ATOM 12 CB PRO A 42 -15.033 -12.983 -3.977 1.00 35.22 C ATOM 13 CG PRO A 42 -14.846 -11.829 -4.900 1.00 13.23 C ATOM 14 CD PRO A 42 -14.319 -10.703 -4.053 1.00 1.01 C ATOM 0 HA PRO A 42 -14.200 -13.184 -1.943 1.00 4.23 H new ATOM 0 HB2 PRO A 42 -14.954 -13.931 -4.508 1.00 35.22 H new ATOM 0 HB3 PRO A 42 -16.017 -12.960 -3.510 1.00 35.22 H new ATOM 0 HG2 PRO A 42 -14.147 -12.077 -5.698 1.00 13.23 H new ATOM 0 HG3 PRO A 42 -15.787 -11.553 -5.375 1.00 13.23 H new ATOM 0 HD2 PRO A 42 -13.637 -10.063 -4.614 1.00 1.01 H new ATOM 0 HD3 PRO A 42 -15.124 -10.066 -3.685 1.00 1.01 H new ATOM 22 N HIS A 43 -11.781 -13.063 -4.056 1.00 21.11 N ATOM 23 CA HIS A 43 -10.574 -13.756 -4.494 1.00 53.51 C ATOM 24 C HIS A 43 -9.323 -13.004 -4.047 1.00 55.24 C ATOM 25 O HIS A 43 -9.347 -11.785 -3.880 1.00 55.32 O ATOM 26 CB HIS A 43 -10.574 -13.910 -6.016 1.00 25.12 C ATOM 27 CG HIS A 43 -11.734 -14.699 -6.537 1.00 73.22 C ATOM 28 ND1 HIS A 43 -11.866 -16.059 -6.348 1.00 1.52 N ATOM 29 CD2 HIS A 43 -12.822 -14.313 -7.245 1.00 43.31 C ATOM 30 CE1 HIS A 43 -12.982 -16.474 -6.918 1.00 75.51 C ATOM 31 NE2 HIS A 43 -13.582 -15.434 -7.469 1.00 63.05 N ATOM 0 H HIS A 43 -11.841 -12.090 -4.355 1.00 21.11 H new ATOM 0 HA HIS A 43 -10.565 -14.745 -4.036 1.00 53.51 H new ATOM 0 HB2 HIS A 43 -10.583 -12.921 -6.473 1.00 25.12 H new ATOM 0 HB3 HIS A 43 -9.648 -14.395 -6.324 1.00 25.12 H new ATOM 0 HD2 HIS A 43 -13.050 -13.309 -7.573 1.00 43.31 H new ATOM 0 HE1 HIS A 43 -13.343 -17.492 -6.932 1.00 75.51 H new ATOM 0 HE2 HIS A 43 -14.466 -15.460 -7.978 1.00 63.05 H new ATOM 40 N MET A 44 -8.234 -13.739 -3.854 1.00 35.40 N ATOM 41 CA MET A 44 -6.975 -13.141 -3.427 1.00 21.41 C ATOM 42 C MET A 44 -5.808 -13.694 -4.240 1.00 22.25 C ATOM 43 O MET A 44 -5.813 -14.858 -4.641 1.00 1.14 O ATOM 44 CB MET A 44 -6.743 -13.401 -1.937 1.00 24.02 C ATOM 45 CG MET A 44 -6.823 -14.870 -1.556 1.00 3.20 C ATOM 46 SD MET A 44 -8.466 -15.352 -0.994 1.00 71.43 S ATOM 47 CE MET A 44 -8.183 -15.539 0.764 1.00 4.32 C ATOM 0 H MET A 44 -8.198 -14.750 -3.986 1.00 35.40 H new ATOM 0 HA MET A 44 -7.035 -12.066 -3.596 1.00 21.41 H new ATOM 0 HB2 MET A 44 -5.763 -13.015 -1.658 1.00 24.02 H new ATOM 0 HB3 MET A 44 -7.481 -12.844 -1.360 1.00 24.02 H new ATOM 0 HG2 MET A 44 -6.543 -15.480 -2.415 1.00 3.20 H new ATOM 0 HG3 MET A 44 -6.098 -15.077 -0.769 1.00 3.20 H new ATOM 0 HE1 MET A 44 -9.111 -15.836 1.252 1.00 4.32 H new ATOM 0 HE2 MET A 44 -7.424 -16.303 0.931 1.00 4.32 H new ATOM 0 HE3 MET A 44 -7.841 -14.591 1.180 1.00 4.32 H new ATOM 57 N THR A 45 -4.807 -12.852 -4.478 1.00 51.41 N ATOM 58 CA THR A 45 -3.635 -13.254 -5.244 1.00 23.33 C ATOM 59 C THR A 45 -2.376 -13.211 -4.385 1.00 41.02 C ATOM 60 O THR A 45 -1.526 -14.097 -4.466 1.00 72.54 O ATOM 61 CB THR A 45 -3.432 -12.355 -6.478 1.00 32.51 C ATOM 62 OG1 THR A 45 -2.194 -12.676 -7.120 1.00 72.42 O ATOM 63 CG2 THR A 45 -3.438 -10.886 -6.083 1.00 11.10 C ATOM 0 H THR A 45 -4.785 -11.886 -4.150 1.00 51.41 H new ATOM 0 HA THR A 45 -3.811 -14.277 -5.576 1.00 23.33 H new ATOM 0 HB THR A 45 -4.256 -12.533 -7.169 1.00 32.51 H new ATOM 0 HG1 THR A 45 -2.074 -12.101 -7.904 1.00 72.42 H new ATOM 0 HG21 THR A 45 -3.293 -10.270 -6.970 1.00 11.10 H new ATOM 0 HG22 THR A 45 -4.393 -10.637 -5.621 1.00 11.10 H new ATOM 0 HG23 THR A 45 -2.632 -10.697 -5.374 1.00 11.10 H new ATOM 71 N SER A 46 -2.263 -12.173 -3.562 1.00 24.55 N ATOM 72 CA SER A 46 -1.106 -12.013 -2.690 1.00 3.35 C ATOM 73 C SER A 46 -1.311 -10.851 -1.722 1.00 2.40 C ATOM 74 O SER A 46 -1.776 -9.780 -2.112 1.00 44.15 O ATOM 75 CB SER A 46 0.158 -11.781 -3.521 1.00 24.44 C ATOM 76 OG SER A 46 1.282 -12.404 -2.923 1.00 4.30 O ATOM 0 H SER A 46 -2.958 -11.431 -3.481 1.00 24.55 H new ATOM 0 HA SER A 46 -0.989 -12.929 -2.112 1.00 3.35 H new ATOM 0 HB2 SER A 46 0.013 -12.174 -4.527 1.00 24.44 H new ATOM 0 HB3 SER A 46 0.341 -10.711 -3.620 1.00 24.44 H new ATOM 0 HG SER A 46 2.077 -12.243 -3.473 1.00 4.30 H new ATOM 82 N GLU A 47 -0.962 -11.072 -0.459 1.00 11.53 N ATOM 83 CA GLU A 47 -1.108 -10.044 0.565 1.00 14.32 C ATOM 84 C GLU A 47 -0.243 -8.828 0.244 1.00 32.51 C ATOM 85 O GLU A 47 -0.537 -7.711 0.673 1.00 63.41 O ATOM 86 CB GLU A 47 -0.733 -10.603 1.938 1.00 34.14 C ATOM 87 CG GLU A 47 0.726 -11.010 2.052 1.00 74.02 C ATOM 88 CD GLU A 47 0.896 -12.447 2.505 1.00 64.24 C ATOM 89 OE1 GLU A 47 1.878 -13.091 2.078 1.00 52.00 O ATOM 90 OE2 GLU A 47 0.049 -12.928 3.286 1.00 22.21 O ATOM 0 H GLU A 47 -0.576 -11.953 -0.120 1.00 11.53 H new ATOM 0 HA GLU A 47 -2.152 -9.731 0.582 1.00 14.32 H new ATOM 0 HB2 GLU A 47 -0.953 -9.854 2.698 1.00 34.14 H new ATOM 0 HB3 GLU A 47 -1.361 -11.468 2.152 1.00 34.14 H new ATOM 0 HG2 GLU A 47 1.213 -10.877 1.086 1.00 74.02 H new ATOM 0 HG3 GLU A 47 1.230 -10.349 2.757 1.00 74.02 H new ATOM 98 N LEU A 48 0.825 -9.054 -0.512 1.00 23.25 N ATOM 99 CA LEU A 48 1.737 -7.979 -0.890 1.00 32.52 C ATOM 100 C LEU A 48 1.202 -7.212 -2.095 1.00 13.44 C ATOM 101 O LEU A 48 1.377 -5.997 -2.196 1.00 75.52 O ATOM 102 CB LEU A 48 3.121 -8.545 -1.206 1.00 45.12 C ATOM 103 CG LEU A 48 3.176 -9.621 -2.291 1.00 64.24 C ATOM 104 CD1 LEU A 48 3.529 -9.006 -3.636 1.00 2.12 C ATOM 105 CD2 LEU A 48 4.179 -10.704 -1.918 1.00 54.22 C ATOM 0 H LEU A 48 1.081 -9.972 -0.876 1.00 23.25 H new ATOM 0 HA LEU A 48 1.817 -7.290 -0.049 1.00 32.52 H new ATOM 0 HB2 LEU A 48 3.768 -7.721 -1.507 1.00 45.12 H new ATOM 0 HB3 LEU A 48 3.539 -8.961 -0.289 1.00 45.12 H new ATOM 0 HG LEU A 48 2.190 -10.079 -2.372 1.00 64.24 H new ATOM 0 HD11 LEU A 48 3.563 -9.787 -4.395 1.00 2.12 H new ATOM 0 HD12 LEU A 48 2.774 -8.268 -3.908 1.00 2.12 H new ATOM 0 HD13 LEU A 48 4.503 -8.521 -3.570 1.00 2.12 H new ATOM 0 HD21 LEU A 48 4.205 -11.461 -2.701 1.00 54.22 H new ATOM 0 HD22 LEU A 48 5.169 -10.261 -1.809 1.00 54.22 H new ATOM 0 HD23 LEU A 48 3.882 -11.166 -0.976 1.00 54.22 H new ATOM 117 N GLN A 49 0.547 -7.928 -3.003 1.00 40.03 N ATOM 118 CA GLN A 49 -0.015 -7.313 -4.200 1.00 30.21 C ATOM 119 C GLN A 49 -1.351 -6.645 -3.893 1.00 11.14 C ATOM 120 O GLN A 49 -1.748 -5.692 -4.563 1.00 72.20 O ATOM 121 CB GLN A 49 -0.195 -8.360 -5.301 1.00 32.21 C ATOM 122 CG GLN A 49 1.013 -8.498 -6.213 1.00 31.31 C ATOM 123 CD GLN A 49 1.032 -7.461 -7.317 1.00 0.42 C ATOM 124 OE1 GLN A 49 0.338 -7.597 -8.325 1.00 43.40 O ATOM 125 NE2 GLN A 49 1.830 -6.415 -7.133 1.00 54.12 N ATOM 0 H GLN A 49 0.392 -8.934 -2.933 1.00 40.03 H new ATOM 0 HA GLN A 49 0.681 -6.549 -4.546 1.00 30.21 H new ATOM 0 HB2 GLN A 49 -0.405 -9.326 -4.841 1.00 32.21 H new ATOM 0 HB3 GLN A 49 -1.065 -8.097 -5.902 1.00 32.21 H new ATOM 0 HG2 GLN A 49 1.923 -8.408 -5.620 1.00 31.31 H new ATOM 0 HG3 GLN A 49 1.018 -9.494 -6.655 1.00 31.31 H new ATOM 0 HE21 GLN A 49 2.388 -6.343 -6.282 1.00 54.12 H new ATOM 0 HE22 GLN A 49 1.885 -5.684 -7.843 1.00 54.12 H new ATOM 134 N MET A 50 -2.041 -7.152 -2.876 1.00 44.13 N ATOM 135 CA MET A 50 -3.333 -6.604 -2.479 1.00 41.44 C ATOM 136 C MET A 50 -3.156 -5.296 -1.713 1.00 73.33 C ATOM 137 O MET A 50 -3.971 -4.381 -1.831 1.00 65.02 O ATOM 138 CB MET A 50 -4.098 -7.613 -1.622 1.00 24.22 C ATOM 139 CG MET A 50 -5.602 -7.394 -1.623 1.00 12.24 C ATOM 140 SD MET A 50 -6.483 -8.628 -0.648 1.00 71.41 S ATOM 141 CE MET A 50 -5.928 -10.140 -1.434 1.00 0.35 C ATOM 0 H MET A 50 -1.727 -7.942 -2.312 1.00 44.13 H new ATOM 0 HA MET A 50 -3.907 -6.400 -3.383 1.00 41.44 H new ATOM 0 HB2 MET A 50 -3.885 -8.619 -1.983 1.00 24.22 H new ATOM 0 HB3 MET A 50 -3.732 -7.558 -0.597 1.00 24.22 H new ATOM 0 HG2 MET A 50 -5.821 -6.401 -1.230 1.00 12.24 H new ATOM 0 HG3 MET A 50 -5.968 -7.418 -2.649 1.00 12.24 H new ATOM 0 HE1 MET A 50 -6.749 -10.856 -1.466 1.00 0.35 H new ATOM 0 HE2 MET A 50 -5.597 -9.922 -2.450 1.00 0.35 H new ATOM 0 HE3 MET A 50 -5.100 -10.563 -0.866 1.00 0.35 H new ATOM 151 N LYS A 51 -2.089 -5.217 -0.926 1.00 41.53 N ATOM 152 CA LYS A 51 -1.804 -4.023 -0.140 1.00 11.10 C ATOM 153 C LYS A 51 -1.723 -2.790 -1.034 1.00 41.33 C ATOM 154 O LYS A 51 -2.209 -1.717 -0.676 1.00 10.51 O ATOM 155 CB LYS A 51 -0.493 -4.194 0.631 1.00 73.12 C ATOM 156 CG LYS A 51 -0.689 -4.601 2.081 1.00 72.24 C ATOM 157 CD LYS A 51 0.629 -4.626 2.836 1.00 4.50 C ATOM 158 CE LYS A 51 0.461 -5.206 4.232 1.00 23.31 C ATOM 159 NZ LYS A 51 0.656 -6.683 4.246 1.00 1.50 N ATOM 0 H LYS A 51 -1.406 -5.967 -0.815 1.00 41.53 H new ATOM 0 HA LYS A 51 -2.619 -3.883 0.570 1.00 11.10 H new ATOM 0 HB2 LYS A 51 0.118 -4.946 0.131 1.00 73.12 H new ATOM 0 HB3 LYS A 51 0.063 -3.257 0.597 1.00 73.12 H new ATOM 0 HG2 LYS A 51 -1.374 -3.905 2.566 1.00 72.24 H new ATOM 0 HG3 LYS A 51 -1.153 -5.587 2.124 1.00 72.24 H new ATOM 0 HD2 LYS A 51 1.357 -5.217 2.280 1.00 4.50 H new ATOM 0 HD3 LYS A 51 1.028 -3.614 2.907 1.00 4.50 H new ATOM 0 HE2 LYS A 51 1.177 -4.739 4.908 1.00 23.31 H new ATOM 0 HE3 LYS A 51 -0.534 -4.967 4.607 1.00 23.31 H new ATOM 0 HZ1 LYS A 51 0.533 -7.040 5.215 1.00 1.50 H new ATOM 0 HZ2 LYS A 51 -0.043 -7.131 3.621 1.00 1.50 H new ATOM 0 HZ3 LYS A 51 1.615 -6.910 3.912 1.00 1.50 H new ATOM 173 N VAL A 52 -1.105 -2.949 -2.201 1.00 32.13 N ATOM 174 CA VAL A 52 -0.963 -1.850 -3.147 1.00 54.23 C ATOM 175 C VAL A 52 -2.184 -1.742 -4.052 1.00 54.15 C ATOM 176 O VAL A 52 -2.744 -0.660 -4.233 1.00 64.14 O ATOM 177 CB VAL A 52 0.295 -2.020 -4.019 1.00 53.10 C ATOM 178 CG1 VAL A 52 0.537 -0.773 -4.857 1.00 20.02 C ATOM 179 CG2 VAL A 52 1.505 -2.333 -3.153 1.00 10.35 C ATOM 0 H VAL A 52 -0.695 -3.829 -2.513 1.00 32.13 H new ATOM 0 HA VAL A 52 -0.869 -0.937 -2.559 1.00 54.23 H new ATOM 0 HB VAL A 52 0.135 -2.859 -4.697 1.00 53.10 H new ATOM 0 HG11 VAL A 52 1.430 -0.912 -5.466 1.00 20.02 H new ATOM 0 HG12 VAL A 52 -0.321 -0.598 -5.506 1.00 20.02 H new ATOM 0 HG13 VAL A 52 0.676 0.086 -4.200 1.00 20.02 H new ATOM 0 HG21 VAL A 52 2.385 -2.450 -3.786 1.00 10.35 H new ATOM 0 HG22 VAL A 52 1.670 -1.517 -2.449 1.00 10.35 H new ATOM 0 HG23 VAL A 52 1.329 -3.257 -2.602 1.00 10.35 H new ATOM 189 N ASP A 53 -2.596 -2.871 -4.620 1.00 23.10 N ATOM 190 CA ASP A 53 -3.752 -2.905 -5.506 1.00 34.22 C ATOM 191 C ASP A 53 -4.962 -2.248 -4.846 1.00 43.33 C ATOM 192 O ASP A 53 -5.819 -1.681 -5.523 1.00 41.45 O ATOM 193 CB ASP A 53 -4.086 -4.347 -5.889 1.00 71.41 C ATOM 194 CG ASP A 53 -5.052 -4.428 -7.054 1.00 52.14 C ATOM 195 OD1 ASP A 53 -4.675 -4.997 -8.102 1.00 5.44 O ATOM 196 OD2 ASP A 53 -6.187 -3.924 -6.921 1.00 31.05 O ATOM 0 H ASP A 53 -2.145 -3.775 -4.482 1.00 23.10 H new ATOM 0 HA ASP A 53 -3.504 -2.346 -6.408 1.00 34.22 H new ATOM 0 HB2 ASP A 53 -3.167 -4.874 -6.146 1.00 71.41 H new ATOM 0 HB3 ASP A 53 -4.516 -4.858 -5.028 1.00 71.41 H new ATOM 202 N PHE A 54 -5.023 -2.330 -3.522 1.00 33.33 N ATOM 203 CA PHE A 54 -6.128 -1.746 -2.771 1.00 32.53 C ATOM 204 C PHE A 54 -6.171 -0.232 -2.955 1.00 23.24 C ATOM 205 O PHE A 54 -7.042 0.296 -3.646 1.00 51.01 O ATOM 206 CB PHE A 54 -6.000 -2.087 -1.284 1.00 43.42 C ATOM 207 CG PHE A 54 -7.114 -1.534 -0.444 1.00 21.14 C ATOM 208 CD1 PHE A 54 -8.331 -2.191 -0.364 1.00 33.42 C ATOM 209 CD2 PHE A 54 -6.945 -0.358 0.268 1.00 54.43 C ATOM 210 CE1 PHE A 54 -9.359 -1.684 0.409 1.00 61.34 C ATOM 211 CE2 PHE A 54 -7.969 0.155 1.043 1.00 31.32 C ATOM 212 CZ PHE A 54 -9.177 -0.511 1.114 1.00 54.11 C ATOM 0 H PHE A 54 -4.321 -2.795 -2.947 1.00 33.33 H new ATOM 0 HA PHE A 54 -7.057 -2.168 -3.154 1.00 32.53 H new ATOM 0 HB2 PHE A 54 -5.973 -3.171 -1.169 1.00 43.42 H new ATOM 0 HB3 PHE A 54 -5.050 -1.703 -0.912 1.00 43.42 H new ATOM 0 HD1 PHE A 54 -8.478 -3.110 -0.912 1.00 33.42 H new ATOM 0 HD2 PHE A 54 -6.001 0.165 0.217 1.00 54.43 H new ATOM 0 HE1 PHE A 54 -10.304 -2.205 0.461 1.00 61.34 H new ATOM 0 HE2 PHE A 54 -7.825 1.074 1.591 1.00 31.32 H new ATOM 0 HZ PHE A 54 -9.978 -0.115 1.720 1.00 54.11 H new ATOM 222 N PHE A 55 -5.224 0.460 -2.331 1.00 3.02 N ATOM 223 CA PHE A 55 -5.152 1.914 -2.424 1.00 31.44 C ATOM 224 C PHE A 55 -5.096 2.364 -3.881 1.00 3.14 C ATOM 225 O PHE A 55 -5.492 3.480 -4.213 1.00 3.42 O ATOM 226 CB PHE A 55 -3.928 2.435 -1.669 1.00 10.42 C ATOM 227 CG PHE A 55 -4.136 2.538 -0.186 1.00 20.14 C ATOM 228 CD1 PHE A 55 -4.806 3.621 0.360 1.00 30.45 C ATOM 229 CD2 PHE A 55 -3.662 1.550 0.664 1.00 50.32 C ATOM 230 CE1 PHE A 55 -5.000 3.718 1.725 1.00 30.23 C ATOM 231 CE2 PHE A 55 -3.855 1.642 2.029 1.00 4.33 C ATOM 232 CZ PHE A 55 -4.523 2.727 2.561 1.00 4.43 C ATOM 0 H PHE A 55 -4.496 0.038 -1.755 1.00 3.02 H new ATOM 0 HA PHE A 55 -6.053 2.327 -1.970 1.00 31.44 H new ATOM 0 HB2 PHE A 55 -3.083 1.775 -1.864 1.00 10.42 H new ATOM 0 HB3 PHE A 55 -3.662 3.417 -2.059 1.00 10.42 H new ATOM 0 HD1 PHE A 55 -5.181 4.399 -0.289 1.00 30.45 H new ATOM 0 HD2 PHE A 55 -3.137 0.700 0.255 1.00 50.32 H new ATOM 0 HE1 PHE A 55 -5.524 4.568 2.138 1.00 30.23 H new ATOM 0 HE2 PHE A 55 -3.483 0.865 2.680 1.00 4.33 H new ATOM 0 HZ PHE A 55 -4.672 2.801 3.628 1.00 4.43 H new ATOM 242 N ARG A 56 -4.598 1.485 -4.746 1.00 51.31 N ATOM 243 CA ARG A 56 -4.488 1.791 -6.167 1.00 44.41 C ATOM 244 C ARG A 56 -5.858 2.099 -6.766 1.00 65.41 C ATOM 245 O ARG A 56 -5.966 2.818 -7.758 1.00 14.43 O ATOM 246 CB ARG A 56 -3.843 0.622 -6.913 1.00 42.32 C ATOM 247 CG ARG A 56 -2.327 0.600 -6.817 1.00 44.41 C ATOM 248 CD ARG A 56 -1.679 1.115 -8.094 1.00 32.21 C ATOM 249 NE ARG A 56 -2.065 0.325 -9.259 1.00 74.35 N ATOM 250 CZ ARG A 56 -1.593 -0.890 -9.513 1.00 65.05 C ATOM 251 NH1 ARG A 56 -0.720 -1.452 -8.688 1.00 13.02 N ATOM 252 NH2 ARG A 56 -1.992 -1.547 -10.595 1.00 40.41 N ATOM 0 H ARG A 56 -4.265 0.556 -4.487 1.00 51.31 H new ATOM 0 HA ARG A 56 -3.858 2.674 -6.275 1.00 44.41 H new ATOM 0 HB2 ARG A 56 -4.237 -0.313 -6.516 1.00 42.32 H new ATOM 0 HB3 ARG A 56 -4.131 0.669 -7.963 1.00 42.32 H new ATOM 0 HG2 ARG A 56 -2.006 1.211 -5.973 1.00 44.41 H new ATOM 0 HG3 ARG A 56 -1.989 -0.417 -6.621 1.00 44.41 H new ATOM 0 HD2 ARG A 56 -1.963 2.155 -8.251 1.00 32.21 H new ATOM 0 HD3 ARG A 56 -0.595 1.094 -7.985 1.00 32.21 H new ATOM 0 HE ARG A 56 -2.734 0.729 -9.914 1.00 74.35 H new ATOM 0 HH11 ARG A 56 -0.409 -0.951 -7.856 1.00 13.02 H new ATOM 0 HH12 ARG A 56 -0.359 -2.385 -8.886 1.00 13.02 H new ATOM 0 HH21 ARG A 56 -2.662 -1.119 -11.233 1.00 40.41 H new ATOM 0 HH22 ARG A 56 -1.628 -2.480 -10.788 1.00 40.41 H new ATOM 266 N LYS A 57 -6.901 1.545 -6.156 1.00 50.10 N ATOM 267 CA LYS A 57 -8.264 1.760 -6.628 1.00 23.14 C ATOM 268 C LYS A 57 -8.922 2.916 -5.881 1.00 31.41 C ATOM 269 O LYS A 57 -9.877 3.521 -6.370 1.00 60.35 O ATOM 270 CB LYS A 57 -9.093 0.485 -6.449 1.00 0.31 C ATOM 271 CG LYS A 57 -9.696 0.341 -5.063 1.00 2.34 C ATOM 272 CD LYS A 57 -9.713 -1.109 -4.610 1.00 4.14 C ATOM 273 CE LYS A 57 -10.575 -1.969 -5.521 1.00 13.21 C ATOM 274 NZ LYS A 57 -11.942 -1.401 -5.687 1.00 14.20 N ATOM 0 H LYS A 57 -6.828 0.945 -5.335 1.00 50.10 H new ATOM 0 HA LYS A 57 -8.221 2.013 -7.687 1.00 23.14 H new ATOM 0 HB2 LYS A 57 -9.895 0.476 -7.187 1.00 0.31 H new ATOM 0 HB3 LYS A 57 -8.462 -0.380 -6.653 1.00 0.31 H new ATOM 0 HG2 LYS A 57 -9.124 0.938 -4.353 1.00 2.34 H new ATOM 0 HG3 LYS A 57 -10.713 0.734 -5.065 1.00 2.34 H new ATOM 0 HD2 LYS A 57 -8.695 -1.499 -4.597 1.00 4.14 H new ATOM 0 HD3 LYS A 57 -10.090 -1.168 -3.589 1.00 4.14 H new ATOM 0 HE2 LYS A 57 -10.097 -2.057 -6.497 1.00 13.21 H new ATOM 0 HE3 LYS A 57 -10.647 -2.976 -5.109 1.00 13.21 H new ATOM 0 HZ1 LYS A 57 -12.631 -2.175 -5.780 1.00 14.20 H new ATOM 0 HZ2 LYS A 57 -12.181 -0.823 -4.856 1.00 14.20 H new ATOM 0 HZ3 LYS A 57 -11.970 -0.808 -6.541 1.00 14.20 H new ATOM 288 N LEU A 58 -8.407 3.218 -4.694 1.00 61.22 N ATOM 289 CA LEU A 58 -8.943 4.303 -3.881 1.00 33.00 C ATOM 290 C LEU A 58 -8.839 5.637 -4.614 1.00 25.50 C ATOM 291 O LEU A 58 -9.540 6.592 -4.287 1.00 10.51 O ATOM 292 CB LEU A 58 -8.201 4.381 -2.546 1.00 45.43 C ATOM 293 CG LEU A 58 -8.817 3.595 -1.388 1.00 4.42 C ATOM 294 CD1 LEU A 58 -10.113 4.245 -0.930 1.00 41.11 C ATOM 295 CD2 LEU A 58 -9.058 2.149 -1.794 1.00 40.10 C ATOM 0 H LEU A 58 -7.619 2.726 -4.273 1.00 61.22 H new ATOM 0 HA LEU A 58 -9.996 4.096 -3.692 1.00 33.00 H new ATOM 0 HB2 LEU A 58 -7.182 4.026 -2.698 1.00 45.43 H new ATOM 0 HB3 LEU A 58 -8.133 5.428 -2.252 1.00 45.43 H new ATOM 0 HG LEU A 58 -8.116 3.605 -0.554 1.00 4.42 H new ATOM 0 HD11 LEU A 58 -10.536 3.671 -0.105 1.00 41.11 H new ATOM 0 HD12 LEU A 58 -9.912 5.263 -0.598 1.00 41.11 H new ATOM 0 HD13 LEU A 58 -10.821 4.267 -1.758 1.00 41.11 H new ATOM 0 HD21 LEU A 58 -9.497 1.605 -0.958 1.00 40.10 H new ATOM 0 HD22 LEU A 58 -9.739 2.119 -2.644 1.00 40.10 H new ATOM 0 HD23 LEU A 58 -8.111 1.686 -2.071 1.00 40.10 H new ATOM 307 N GLY A 59 -7.958 5.692 -5.608 1.00 34.01 N ATOM 308 CA GLY A 59 -7.779 6.912 -6.373 1.00 5.31 C ATOM 309 C GLY A 59 -6.406 7.524 -6.176 1.00 71.32 C ATOM 310 O GLY A 59 -6.214 8.720 -6.394 1.00 75.23 O ATOM 0 H GLY A 59 -7.365 4.914 -5.897 1.00 34.01 H new ATOM 0 HA2 GLY A 59 -7.930 6.699 -7.431 1.00 5.31 H new ATOM 0 HA3 GLY A 59 -8.541 7.635 -6.082 1.00 5.31 H new ATOM 314 N TYR A 60 -5.448 6.702 -5.760 1.00 40.42 N ATOM 315 CA TYR A 60 -4.087 7.171 -5.528 1.00 40.23 C ATOM 316 C TYR A 60 -3.190 6.845 -6.719 1.00 4.40 C ATOM 317 O TYR A 60 -3.642 6.287 -7.718 1.00 34.34 O ATOM 318 CB TYR A 60 -3.517 6.539 -4.257 1.00 61.13 C ATOM 319 CG TYR A 60 -3.981 7.211 -2.986 1.00 54.41 C ATOM 320 CD1 TYR A 60 -3.541 8.487 -2.650 1.00 74.54 C ATOM 321 CD2 TYR A 60 -4.859 6.573 -2.120 1.00 12.05 C ATOM 322 CE1 TYR A 60 -3.963 9.105 -1.489 1.00 73.45 C ATOM 323 CE2 TYR A 60 -5.287 7.184 -0.956 1.00 53.14 C ATOM 324 CZ TYR A 60 -4.836 8.450 -0.646 1.00 54.11 C ATOM 325 OH TYR A 60 -5.258 9.061 0.511 1.00 14.45 O ATOM 0 H TYR A 60 -5.589 5.709 -5.577 1.00 40.42 H new ATOM 0 HA TYR A 60 -4.118 8.253 -5.404 1.00 40.23 H new ATOM 0 HB2 TYR A 60 -3.800 5.487 -4.226 1.00 61.13 H new ATOM 0 HB3 TYR A 60 -2.428 6.575 -4.300 1.00 61.13 H new ATOM 0 HD1 TYR A 60 -2.858 9.003 -3.308 1.00 74.54 H new ATOM 0 HD2 TYR A 60 -5.214 5.582 -2.360 1.00 12.05 H new ATOM 0 HE1 TYR A 60 -3.611 10.096 -1.243 1.00 73.45 H new ATOM 0 HE2 TYR A 60 -5.970 6.673 -0.294 1.00 53.14 H new ATOM 0 HH TYR A 60 -5.871 8.465 0.991 1.00 14.45 H new ATOM 335 N SER A 61 -1.913 7.199 -6.603 1.00 20.21 N ATOM 336 CA SER A 61 -0.951 6.949 -7.669 1.00 63.21 C ATOM 337 C SER A 61 -0.091 5.730 -7.350 1.00 3.13 C ATOM 338 O SER A 61 0.365 5.558 -6.219 1.00 61.42 O ATOM 339 CB SER A 61 -0.061 8.174 -7.880 1.00 43.14 C ATOM 340 OG SER A 61 -0.757 9.370 -7.571 1.00 23.23 O ATOM 0 H SER A 61 -1.522 7.660 -5.781 1.00 20.21 H new ATOM 0 HA SER A 61 -1.506 6.750 -8.586 1.00 63.21 H new ATOM 0 HB2 SER A 61 0.827 8.094 -7.253 1.00 43.14 H new ATOM 0 HB3 SER A 61 0.281 8.205 -8.915 1.00 43.14 H new ATOM 0 HG SER A 61 -0.166 10.139 -7.712 1.00 23.23 H new ATOM 346 N SER A 62 0.128 4.887 -8.354 1.00 52.30 N ATOM 347 CA SER A 62 0.931 3.683 -8.180 1.00 73.30 C ATOM 348 C SER A 62 2.306 4.023 -7.613 1.00 61.05 C ATOM 349 O SER A 62 2.807 3.342 -6.718 1.00 53.54 O ATOM 350 CB SER A 62 1.083 2.949 -9.514 1.00 32.34 C ATOM 351 OG SER A 62 1.634 3.799 -10.503 1.00 70.03 O ATOM 0 H SER A 62 -0.240 5.016 -9.297 1.00 52.30 H new ATOM 0 HA SER A 62 0.417 3.033 -7.472 1.00 73.30 H new ATOM 0 HB2 SER A 62 1.723 2.077 -9.382 1.00 32.34 H new ATOM 0 HB3 SER A 62 0.111 2.584 -9.845 1.00 32.34 H new ATOM 0 HG SER A 62 1.723 3.306 -11.345 1.00 70.03 H new ATOM 357 N SER A 63 2.911 5.081 -8.143 1.00 71.12 N ATOM 358 CA SER A 63 4.230 5.511 -7.695 1.00 21.12 C ATOM 359 C SER A 63 4.200 5.912 -6.222 1.00 52.45 C ATOM 360 O SER A 63 5.205 5.811 -5.520 1.00 65.22 O ATOM 361 CB SER A 63 4.724 6.683 -8.544 1.00 41.10 C ATOM 362 OG SER A 63 3.656 7.285 -9.254 1.00 73.41 O ATOM 0 H SER A 63 2.509 5.656 -8.883 1.00 71.12 H new ATOM 0 HA SER A 63 4.917 4.673 -7.812 1.00 21.12 H new ATOM 0 HB2 SER A 63 5.202 7.424 -7.903 1.00 41.10 H new ATOM 0 HB3 SER A 63 5.481 6.334 -9.247 1.00 41.10 H new ATOM 0 HG SER A 63 3.998 8.032 -9.788 1.00 73.41 H new ATOM 368 N GLU A 64 3.039 6.368 -5.765 1.00 32.14 N ATOM 369 CA GLU A 64 2.876 6.786 -4.376 1.00 65.43 C ATOM 370 C GLU A 64 2.740 5.575 -3.457 1.00 34.01 C ATOM 371 O GLU A 64 3.495 5.425 -2.495 1.00 63.43 O ATOM 372 CB GLU A 64 1.651 7.690 -4.232 1.00 23.21 C ATOM 373 CG GLU A 64 1.772 9.004 -4.987 1.00 64.42 C ATOM 374 CD GLU A 64 2.349 10.116 -4.133 1.00 64.01 C ATOM 375 OE1 GLU A 64 1.794 11.234 -4.161 1.00 74.30 O ATOM 376 OE2 GLU A 64 3.357 9.869 -3.438 1.00 30.22 O ATOM 0 H GLU A 64 2.198 6.458 -6.334 1.00 32.14 H new ATOM 0 HA GLU A 64 3.766 7.344 -4.084 1.00 65.43 H new ATOM 0 HB2 GLU A 64 0.771 7.155 -4.589 1.00 23.21 H new ATOM 0 HB3 GLU A 64 1.488 7.901 -3.175 1.00 23.21 H new ATOM 0 HG2 GLU A 64 2.404 8.859 -5.863 1.00 64.42 H new ATOM 0 HG3 GLU A 64 0.788 9.302 -5.350 1.00 64.42 H new ATOM 384 N ILE A 65 1.771 4.717 -3.758 1.00 43.21 N ATOM 385 CA ILE A 65 1.536 3.521 -2.960 1.00 65.11 C ATOM 386 C ILE A 65 2.739 2.585 -3.003 1.00 24.44 C ATOM 387 O ILE A 65 3.074 1.940 -2.008 1.00 54.24 O ATOM 388 CB ILE A 65 0.290 2.757 -3.444 1.00 33.33 C ATOM 389 CG1 ILE A 65 -0.947 3.655 -3.367 1.00 1.21 C ATOM 390 CG2 ILE A 65 0.087 1.495 -2.618 1.00 14.20 C ATOM 391 CD1 ILE A 65 -2.071 3.214 -4.278 1.00 60.35 C ATOM 0 H ILE A 65 1.136 4.828 -4.549 1.00 43.21 H new ATOM 0 HA ILE A 65 1.374 3.854 -1.935 1.00 65.11 H new ATOM 0 HB ILE A 65 0.442 2.466 -4.484 1.00 33.33 H new ATOM 0 HG12 ILE A 65 -1.309 3.673 -2.339 1.00 1.21 H new ATOM 0 HG13 ILE A 65 -0.662 4.675 -3.623 1.00 1.21 H new ATOM 0 HG21 ILE A 65 -0.798 0.966 -2.973 1.00 14.20 H new ATOM 0 HG22 ILE A 65 0.960 0.850 -2.719 1.00 14.20 H new ATOM 0 HG23 ILE A 65 -0.047 1.764 -1.570 1.00 14.20 H new ATOM 0 HD11 ILE A 65 -2.915 3.896 -4.171 1.00 60.35 H new ATOM 0 HD12 ILE A 65 -1.726 3.223 -5.312 1.00 60.35 H new ATOM 0 HD13 ILE A 65 -2.383 2.205 -4.008 1.00 60.35 H new ATOM 403 N HIS A 66 3.389 2.518 -4.160 1.00 71.33 N ATOM 404 CA HIS A 66 4.559 1.662 -4.333 1.00 53.54 C ATOM 405 C HIS A 66 5.770 2.249 -3.616 1.00 25.14 C ATOM 406 O HIS A 66 6.675 1.521 -3.207 1.00 43.32 O ATOM 407 CB HIS A 66 4.869 1.481 -5.819 1.00 22.20 C ATOM 408 CG HIS A 66 5.711 0.278 -6.112 1.00 61.00 C ATOM 409 ND1 HIS A 66 7.051 0.356 -6.427 1.00 61.31 N ATOM 410 CD2 HIS A 66 5.398 -1.039 -6.135 1.00 13.24 C ATOM 411 CE1 HIS A 66 7.525 -0.860 -6.633 1.00 21.12 C ATOM 412 NE2 HIS A 66 6.542 -1.725 -6.460 1.00 73.14 N ATOM 0 H HIS A 66 3.126 3.046 -4.992 1.00 71.33 H new ATOM 0 HA HIS A 66 4.336 0.689 -3.896 1.00 53.54 H new ATOM 0 HB2 HIS A 66 3.932 1.402 -6.370 1.00 22.20 H new ATOM 0 HB3 HIS A 66 5.381 2.371 -6.186 1.00 22.20 H new ATOM 0 HD2 HIS A 66 4.428 -1.470 -5.935 1.00 13.24 H new ATOM 0 HE1 HIS A 66 8.543 -1.105 -6.898 1.00 21.12 H new ATOM 0 HE2 HIS A 66 6.620 -2.738 -6.553 1.00 73.14 H new ATOM 421 N SER A 67 5.782 3.570 -3.467 1.00 25.20 N ATOM 422 CA SER A 67 6.885 4.255 -2.803 1.00 20.22 C ATOM 423 C SER A 67 6.852 4.006 -1.297 1.00 54.15 C ATOM 424 O SER A 67 7.791 3.451 -0.728 1.00 72.31 O ATOM 425 CB SER A 67 6.824 5.757 -3.085 1.00 2.51 C ATOM 426 OG SER A 67 7.492 6.494 -2.075 1.00 30.31 O ATOM 0 H SER A 67 5.040 4.187 -3.797 1.00 25.20 H new ATOM 0 HA SER A 67 7.819 3.856 -3.199 1.00 20.22 H new ATOM 0 HB2 SER A 67 7.278 5.967 -4.053 1.00 2.51 H new ATOM 0 HB3 SER A 67 5.784 6.077 -3.145 1.00 2.51 H new ATOM 0 HG SER A 67 7.440 7.451 -2.280 1.00 30.31 H new ATOM 432 N VAL A 68 5.763 4.423 -0.660 1.00 50.33 N ATOM 433 CA VAL A 68 5.605 4.246 0.778 1.00 22.03 C ATOM 434 C VAL A 68 5.811 2.790 1.179 1.00 71.34 C ATOM 435 O VAL A 68 6.337 2.498 2.253 1.00 23.05 O ATOM 436 CB VAL A 68 4.212 4.705 1.251 1.00 63.12 C ATOM 437 CG1 VAL A 68 4.038 6.200 1.027 1.00 71.52 C ATOM 438 CG2 VAL A 68 3.122 3.920 0.538 1.00 62.04 C ATOM 0 H VAL A 68 4.977 4.886 -1.117 1.00 50.33 H new ATOM 0 HA VAL A 68 6.365 4.863 1.258 1.00 22.03 H new ATOM 0 HB VAL A 68 4.128 4.510 2.320 1.00 63.12 H new ATOM 0 HG11 VAL A 68 3.049 6.506 1.367 1.00 71.52 H new ATOM 0 HG12 VAL A 68 4.799 6.743 1.588 1.00 71.52 H new ATOM 0 HG13 VAL A 68 4.142 6.423 -0.035 1.00 71.52 H new ATOM 0 HG21 VAL A 68 2.145 4.257 0.884 1.00 62.04 H new ATOM 0 HG22 VAL A 68 3.201 4.081 -0.537 1.00 62.04 H new ATOM 0 HG23 VAL A 68 3.237 2.858 0.755 1.00 62.04 H new ATOM 448 N LEU A 69 5.393 1.878 0.308 1.00 74.53 N ATOM 449 CA LEU A 69 5.532 0.450 0.570 1.00 60.33 C ATOM 450 C LEU A 69 6.962 -0.014 0.312 1.00 71.42 C ATOM 451 O LEU A 69 7.455 -0.929 0.971 1.00 35.03 O ATOM 452 CB LEU A 69 4.560 -0.346 -0.304 1.00 12.54 C ATOM 453 CG LEU A 69 3.209 -0.680 0.328 1.00 34.24 C ATOM 454 CD1 LEU A 69 3.375 -1.718 1.427 1.00 30.23 C ATOM 455 CD2 LEU A 69 2.551 0.578 0.876 1.00 1.14 C ATOM 0 H LEU A 69 4.955 2.102 -0.586 1.00 74.53 H new ATOM 0 HA LEU A 69 5.296 0.273 1.619 1.00 60.33 H new ATOM 0 HB2 LEU A 69 4.381 0.218 -1.220 1.00 12.54 H new ATOM 0 HB3 LEU A 69 5.044 -1.279 -0.594 1.00 12.54 H new ATOM 0 HG LEU A 69 2.563 -1.098 -0.444 1.00 34.24 H new ATOM 0 HD11 LEU A 69 2.403 -1.943 1.865 1.00 30.23 H new ATOM 0 HD12 LEU A 69 3.803 -2.628 1.006 1.00 30.23 H new ATOM 0 HD13 LEU A 69 4.039 -1.328 2.198 1.00 30.23 H new ATOM 0 HD21 LEU A 69 1.590 0.321 1.322 1.00 1.14 H new ATOM 0 HD22 LEU A 69 3.195 1.025 1.633 1.00 1.14 H new ATOM 0 HD23 LEU A 69 2.396 1.290 0.065 1.00 1.14 H new ATOM 467 N GLN A 70 7.622 0.623 -0.649 1.00 55.30 N ATOM 468 CA GLN A 70 8.996 0.276 -0.992 1.00 54.32 C ATOM 469 C GLN A 70 9.934 0.545 0.180 1.00 73.12 C ATOM 470 O GLN A 70 10.980 -0.091 0.310 1.00 1.55 O ATOM 471 CB GLN A 70 9.453 1.067 -2.219 1.00 61.00 C ATOM 472 CG GLN A 70 10.936 0.923 -2.518 1.00 31.20 C ATOM 473 CD GLN A 70 11.361 1.697 -3.750 1.00 25.12 C ATOM 474 OE1 GLN A 70 11.312 2.927 -3.772 1.00 21.20 O ATOM 475 NE2 GLN A 70 11.782 0.979 -4.785 1.00 31.45 N ATOM 0 H GLN A 70 7.228 1.382 -1.204 1.00 55.30 H new ATOM 0 HA GLN A 70 9.029 -0.789 -1.223 1.00 54.32 H new ATOM 0 HB2 GLN A 70 8.882 0.737 -3.087 1.00 61.00 H new ATOM 0 HB3 GLN A 70 9.222 2.121 -2.068 1.00 61.00 H new ATOM 0 HG2 GLN A 70 11.511 1.270 -1.659 1.00 31.20 H new ATOM 0 HG3 GLN A 70 11.174 -0.132 -2.656 1.00 31.20 H new ATOM 0 HE21 GLN A 70 11.806 -0.039 -4.723 1.00 31.45 H new ATOM 0 HE22 GLN A 70 12.081 1.445 -5.641 1.00 31.45 H new ATOM 484 N LYS A 71 9.553 1.492 1.030 1.00 11.04 N ATOM 485 CA LYS A 71 10.359 1.847 2.192 1.00 33.44 C ATOM 486 C LYS A 71 9.828 1.167 3.451 1.00 34.30 C ATOM 487 O LYS A 71 10.598 0.661 4.269 1.00 40.31 O ATOM 488 CB LYS A 71 10.372 3.364 2.387 1.00 22.34 C ATOM 489 CG LYS A 71 11.389 3.838 3.411 1.00 65.05 C ATOM 490 CD LYS A 71 11.185 5.302 3.763 1.00 24.53 C ATOM 491 CE LYS A 71 12.071 5.723 4.925 1.00 4.24 C ATOM 492 NZ LYS A 71 11.774 4.946 6.161 1.00 43.31 N ATOM 0 H LYS A 71 8.690 2.028 0.936 1.00 11.04 H new ATOM 0 HA LYS A 71 11.377 1.501 2.015 1.00 33.44 H new ATOM 0 HB2 LYS A 71 10.582 3.843 1.431 1.00 22.34 H new ATOM 0 HB3 LYS A 71 9.379 3.691 2.696 1.00 22.34 H new ATOM 0 HG2 LYS A 71 11.308 3.231 4.313 1.00 65.05 H new ATOM 0 HG3 LYS A 71 12.396 3.694 3.019 1.00 65.05 H new ATOM 0 HD2 LYS A 71 11.405 5.921 2.893 1.00 24.53 H new ATOM 0 HD3 LYS A 71 10.140 5.474 4.020 1.00 24.53 H new ATOM 0 HE2 LYS A 71 13.117 5.585 4.652 1.00 4.24 H new ATOM 0 HE3 LYS A 71 11.931 6.786 5.122 1.00 4.24 H new ATOM 0 HZ1 LYS A 71 12.160 5.447 6.987 1.00 43.31 H new ATOM 0 HZ2 LYS A 71 10.745 4.844 6.268 1.00 43.31 H new ATOM 0 HZ3 LYS A 71 12.210 4.004 6.092 1.00 43.31 H new ATOM 506 N LEU A 72 8.508 1.155 3.599 1.00 61.03 N ATOM 507 CA LEU A 72 7.873 0.536 4.757 1.00 60.32 C ATOM 508 C LEU A 72 8.025 -0.982 4.714 1.00 14.42 C ATOM 509 O LEU A 72 8.576 -1.587 5.632 1.00 1.01 O ATOM 510 CB LEU A 72 6.391 0.909 4.812 1.00 54.54 C ATOM 511 CG LEU A 72 6.071 2.307 5.345 1.00 55.14 C ATOM 512 CD1 LEU A 72 4.809 2.851 4.693 1.00 74.54 C ATOM 513 CD2 LEU A 72 5.922 2.279 6.858 1.00 14.32 C ATOM 0 H LEU A 72 7.856 1.567 2.931 1.00 61.03 H new ATOM 0 HA LEU A 72 8.368 0.908 5.654 1.00 60.32 H new ATOM 0 HB2 LEU A 72 5.977 0.821 3.808 1.00 54.54 H new ATOM 0 HB3 LEU A 72 5.875 0.178 5.434 1.00 54.54 H new ATOM 0 HG LEU A 72 6.899 2.969 5.094 1.00 55.14 H new ATOM 0 HD11 LEU A 72 4.597 3.846 5.084 1.00 74.54 H new ATOM 0 HD12 LEU A 72 4.953 2.908 3.614 1.00 74.54 H new ATOM 0 HD13 LEU A 72 3.972 2.189 4.913 1.00 74.54 H new ATOM 0 HD21 LEU A 72 5.695 3.282 7.220 1.00 14.32 H new ATOM 0 HD22 LEU A 72 5.112 1.602 7.131 1.00 14.32 H new ATOM 0 HD23 LEU A 72 6.852 1.933 7.309 1.00 14.32 H new ATOM 525 N GLY A 73 7.534 -1.591 3.639 1.00 53.11 N ATOM 526 CA GLY A 73 7.626 -3.032 3.496 1.00 72.14 C ATOM 527 C GLY A 73 6.393 -3.747 4.010 1.00 53.51 C ATOM 528 O GLY A 73 5.267 -3.364 3.692 1.00 33.50 O ATOM 0 H GLY A 73 7.074 -1.112 2.865 1.00 53.11 H new ATOM 0 HA2 GLY A 73 7.774 -3.281 2.445 1.00 72.14 H new ATOM 0 HA3 GLY A 73 8.502 -3.392 4.036 1.00 72.14 H new ATOM 532 N VAL A 74 6.604 -4.788 4.808 1.00 74.41 N ATOM 533 CA VAL A 74 5.500 -5.560 5.367 1.00 1.42 C ATOM 534 C VAL A 74 5.179 -5.108 6.788 1.00 72.25 C ATOM 535 O VAL A 74 4.080 -5.342 7.290 1.00 11.32 O ATOM 536 CB VAL A 74 5.817 -7.066 5.378 1.00 33.31 C ATOM 537 CG1 VAL A 74 4.589 -7.867 5.786 1.00 61.03 C ATOM 538 CG2 VAL A 74 6.326 -7.514 4.017 1.00 42.23 C ATOM 0 H VAL A 74 7.530 -5.117 5.082 1.00 74.41 H new ATOM 0 HA VAL A 74 4.635 -5.384 4.728 1.00 1.42 H new ATOM 0 HB VAL A 74 6.602 -7.248 6.112 1.00 33.31 H new ATOM 0 HG11 VAL A 74 4.832 -8.930 5.788 1.00 61.03 H new ATOM 0 HG12 VAL A 74 4.273 -7.565 6.784 1.00 61.03 H new ATOM 0 HG13 VAL A 74 3.781 -7.681 5.078 1.00 61.03 H new ATOM 0 HG21 VAL A 74 6.545 -8.581 4.044 1.00 42.23 H new ATOM 0 HG22 VAL A 74 5.565 -7.318 3.262 1.00 42.23 H new ATOM 0 HG23 VAL A 74 7.233 -6.964 3.769 1.00 42.23 H new ATOM 548 N GLN A 75 6.146 -4.460 7.430 1.00 32.30 N ATOM 549 CA GLN A 75 5.966 -3.977 8.793 1.00 1.45 C ATOM 550 C GLN A 75 4.916 -2.872 8.845 1.00 43.20 C ATOM 551 O GLN A 75 4.325 -2.613 9.893 1.00 51.54 O ATOM 552 CB GLN A 75 7.294 -3.462 9.353 1.00 13.01 C ATOM 553 CG GLN A 75 8.343 -4.547 9.525 1.00 65.43 C ATOM 554 CD GLN A 75 9.430 -4.159 10.510 1.00 54.14 C ATOM 555 OE1 GLN A 75 9.443 -4.622 11.650 1.00 24.11 O ATOM 556 NE2 GLN A 75 10.346 -3.304 10.072 1.00 11.13 N ATOM 0 H GLN A 75 7.061 -4.258 7.028 1.00 32.30 H new ATOM 0 HA GLN A 75 5.620 -4.810 9.405 1.00 1.45 H new ATOM 0 HB2 GLN A 75 7.685 -2.692 8.688 1.00 13.01 H new ATOM 0 HB3 GLN A 75 7.112 -2.988 10.317 1.00 13.01 H new ATOM 0 HG2 GLN A 75 7.860 -5.463 9.865 1.00 65.43 H new ATOM 0 HG3 GLN A 75 8.796 -4.766 8.558 1.00 65.43 H new ATOM 0 HE21 GLN A 75 10.295 -2.946 9.118 1.00 11.13 H new ATOM 0 HE22 GLN A 75 11.101 -3.005 10.689 1.00 11.13 H new ATOM 565 N ALA A 76 4.689 -2.224 7.706 1.00 5.04 N ATOM 566 CA ALA A 76 3.710 -1.149 7.621 1.00 15.34 C ATOM 567 C ALA A 76 2.362 -1.589 8.182 1.00 1.32 C ATOM 568 O ALA A 76 2.146 -2.770 8.450 1.00 71.35 O ATOM 569 CB ALA A 76 3.558 -0.684 6.181 1.00 65.45 C ATOM 0 H ALA A 76 5.171 -2.426 6.830 1.00 5.04 H new ATOM 0 HA ALA A 76 4.071 -0.315 8.223 1.00 15.34 H new ATOM 0 HB1 ALA A 76 2.823 0.120 6.134 1.00 65.45 H new ATOM 0 HB2 ALA A 76 4.517 -0.320 5.813 1.00 65.45 H new ATOM 0 HB3 ALA A 76 3.225 -1.517 5.563 1.00 65.45 H new ATOM 575 N ASP A 77 1.459 -0.631 8.359 1.00 54.34 N ATOM 576 CA ASP A 77 0.130 -0.919 8.887 1.00 22.52 C ATOM 577 C ASP A 77 -0.930 -0.079 8.183 1.00 23.22 C ATOM 578 O ASP A 77 -0.622 0.943 7.568 1.00 23.11 O ATOM 579 CB ASP A 77 0.090 -0.657 10.394 1.00 73.15 C ATOM 580 CG ASP A 77 1.405 -0.982 11.074 1.00 12.31 C ATOM 581 OD1 ASP A 77 1.714 -2.183 11.225 1.00 63.05 O ATOM 582 OD2 ASP A 77 2.125 -0.035 11.455 1.00 60.43 O ATOM 0 H ASP A 77 1.623 0.353 8.144 1.00 54.34 H new ATOM 0 HA ASP A 77 -0.087 -1.971 8.703 1.00 22.52 H new ATOM 0 HB2 ASP A 77 -0.158 0.389 10.571 1.00 73.15 H new ATOM 0 HB3 ASP A 77 -0.705 -1.253 10.842 1.00 73.15 H new ATOM 588 N THR A 78 -2.182 -0.516 8.274 1.00 22.44 N ATOM 589 CA THR A 78 -3.288 0.193 7.645 1.00 42.23 C ATOM 590 C THR A 78 -3.285 1.669 8.030 1.00 70.35 C ATOM 591 O THR A 78 -3.724 2.521 7.260 1.00 15.32 O ATOM 592 CB THR A 78 -4.645 -0.424 8.031 1.00 4.04 C ATOM 593 OG1 THR A 78 -4.576 -1.851 7.946 1.00 72.35 O ATOM 594 CG2 THR A 78 -5.752 0.091 7.123 1.00 20.41 C ATOM 0 H THR A 78 -2.455 -1.359 8.778 1.00 22.44 H new ATOM 0 HA THR A 78 -3.150 0.101 6.568 1.00 42.23 H new ATOM 0 HB THR A 78 -4.873 -0.132 9.056 1.00 4.04 H new ATOM 0 HG1 THR A 78 -5.442 -2.236 8.195 1.00 72.35 H new ATOM 0 HG21 THR A 78 -6.701 -0.359 7.415 1.00 20.41 H new ATOM 0 HG22 THR A 78 -5.821 1.175 7.213 1.00 20.41 H new ATOM 0 HG23 THR A 78 -5.528 -0.174 6.090 1.00 20.41 H new ATOM 602 N ASN A 79 -2.787 1.961 9.226 1.00 4.23 N ATOM 603 CA ASN A 79 -2.726 3.335 9.714 1.00 15.00 C ATOM 604 C ASN A 79 -1.523 4.068 9.129 1.00 32.30 C ATOM 605 O ASN A 79 -1.659 5.143 8.545 1.00 53.22 O ATOM 606 CB ASN A 79 -2.655 3.353 11.242 1.00 12.14 C ATOM 607 CG ASN A 79 -3.541 2.297 11.875 1.00 62.41 C ATOM 608 OD1 ASN A 79 -4.657 2.050 11.416 1.00 41.53 O ATOM 609 ND2 ASN A 79 -3.047 1.667 12.934 1.00 71.11 N ATOM 0 H ASN A 79 -2.420 1.266 9.876 1.00 4.23 H new ATOM 0 HA ASN A 79 -3.632 3.848 9.393 1.00 15.00 H new ATOM 0 HB2 ASN A 79 -1.624 3.194 11.557 1.00 12.14 H new ATOM 0 HB3 ASN A 79 -2.951 4.337 11.605 1.00 12.14 H new ATOM 0 HD21 ASN A 79 -3.597 0.946 13.401 1.00 71.11 H new ATOM 0 HD22 ASN A 79 -2.117 1.904 13.280 1.00 71.11 H new ATOM 616 N THR A 80 -0.343 3.478 9.289 1.00 24.13 N ATOM 617 CA THR A 80 0.886 4.073 8.779 1.00 54.15 C ATOM 618 C THR A 80 0.749 4.436 7.305 1.00 73.25 C ATOM 619 O THR A 80 1.095 5.544 6.893 1.00 31.41 O ATOM 620 CB THR A 80 2.086 3.123 8.953 1.00 42.43 C ATOM 621 OG1 THR A 80 2.264 2.809 10.338 1.00 42.14 O ATOM 622 CG2 THR A 80 3.357 3.752 8.402 1.00 24.21 C ATOM 0 H THR A 80 -0.212 2.587 9.768 1.00 24.13 H new ATOM 0 HA THR A 80 1.063 4.979 9.359 1.00 54.15 H new ATOM 0 HB THR A 80 1.882 2.208 8.397 1.00 42.43 H new ATOM 0 HG1 THR A 80 2.177 1.842 10.468 1.00 42.14 H new ATOM 0 HG21 THR A 80 4.191 3.063 8.536 1.00 24.21 H new ATOM 0 HG22 THR A 80 3.228 3.964 7.341 1.00 24.21 H new ATOM 0 HG23 THR A 80 3.564 4.680 8.934 1.00 24.21 H new ATOM 630 N VAL A 81 0.241 3.497 6.513 1.00 25.54 N ATOM 631 CA VAL A 81 0.057 3.718 5.084 1.00 33.32 C ATOM 632 C VAL A 81 -0.712 5.008 4.822 1.00 35.24 C ATOM 633 O VAL A 81 -0.230 5.902 4.127 1.00 70.15 O ATOM 634 CB VAL A 81 -0.692 2.544 4.425 1.00 14.04 C ATOM 635 CG1 VAL A 81 -0.790 2.749 2.921 1.00 0.13 C ATOM 636 CG2 VAL A 81 -0.005 1.226 4.749 1.00 70.31 C ATOM 0 H VAL A 81 -0.051 2.575 6.838 1.00 25.54 H new ATOM 0 HA VAL A 81 1.052 3.796 4.646 1.00 33.32 H new ATOM 0 HB VAL A 81 -1.704 2.509 4.828 1.00 14.04 H new ATOM 0 HG11 VAL A 81 -1.322 1.910 2.473 1.00 0.13 H new ATOM 0 HG12 VAL A 81 -1.330 3.673 2.714 1.00 0.13 H new ATOM 0 HG13 VAL A 81 0.212 2.811 2.496 1.00 0.13 H new ATOM 0 HG21 VAL A 81 -0.547 0.407 4.276 1.00 70.31 H new ATOM 0 HG22 VAL A 81 1.019 1.248 4.375 1.00 70.31 H new ATOM 0 HG23 VAL A 81 0.006 1.077 5.829 1.00 70.31 H new ATOM 646 N LEU A 82 -1.913 5.098 5.385 1.00 11.43 N ATOM 647 CA LEU A 82 -2.751 6.280 5.214 1.00 61.53 C ATOM 648 C LEU A 82 -1.980 7.549 5.562 1.00 12.03 C ATOM 649 O LEU A 82 -1.969 8.511 4.795 1.00 21.41 O ATOM 650 CB LEU A 82 -4.001 6.174 6.088 1.00 31.54 C ATOM 651 CG LEU A 82 -4.888 4.950 5.847 1.00 41.32 C ATOM 652 CD1 LEU A 82 -5.707 4.631 7.087 1.00 52.43 C ATOM 653 CD2 LEU A 82 -5.797 5.180 4.649 1.00 74.14 C ATOM 0 H LEU A 82 -2.328 4.367 5.963 1.00 11.43 H new ATOM 0 HA LEU A 82 -3.050 6.334 4.167 1.00 61.53 H new ATOM 0 HB2 LEU A 82 -3.690 6.172 7.133 1.00 31.54 H new ATOM 0 HB3 LEU A 82 -4.603 7.070 5.936 1.00 31.54 H new ATOM 0 HG LEU A 82 -4.246 4.096 5.633 1.00 41.32 H new ATOM 0 HD11 LEU A 82 -6.331 3.758 6.896 1.00 52.43 H new ATOM 0 HD12 LEU A 82 -5.038 4.423 7.922 1.00 52.43 H new ATOM 0 HD13 LEU A 82 -6.341 5.483 7.334 1.00 52.43 H new ATOM 0 HD21 LEU A 82 -6.421 4.300 4.491 1.00 74.14 H new ATOM 0 HD22 LEU A 82 -6.432 6.046 4.835 1.00 74.14 H new ATOM 0 HD23 LEU A 82 -5.191 5.358 3.761 1.00 74.14 H new ATOM 665 N GLY A 83 -1.334 7.543 6.724 1.00 55.13 N ATOM 666 CA GLY A 83 -0.567 8.700 7.152 1.00 21.52 C ATOM 667 C GLY A 83 0.442 9.143 6.112 1.00 2.45 C ATOM 668 O GLY A 83 0.537 10.329 5.798 1.00 51.44 O ATOM 0 H GLY A 83 -1.328 6.759 7.376 1.00 55.13 H new ATOM 0 HA2 GLY A 83 -1.248 9.524 7.368 1.00 21.52 H new ATOM 0 HA3 GLY A 83 -0.047 8.464 8.081 1.00 21.52 H new ATOM 672 N GLU A 84 1.198 8.189 5.578 1.00 11.22 N ATOM 673 CA GLU A 84 2.207 8.489 4.569 1.00 4.55 C ATOM 674 C GLU A 84 1.607 9.300 3.424 1.00 31.23 C ATOM 675 O GLU A 84 2.233 10.229 2.911 1.00 72.42 O ATOM 676 CB GLU A 84 2.820 7.197 4.028 1.00 62.51 C ATOM 677 CG GLU A 84 3.539 6.374 5.084 1.00 43.33 C ATOM 678 CD GLU A 84 4.985 6.795 5.265 1.00 63.34 C ATOM 679 OE1 GLU A 84 5.416 6.949 6.427 1.00 2.50 O ATOM 680 OE2 GLU A 84 5.685 6.968 4.245 1.00 32.24 O ATOM 0 H GLU A 84 1.131 7.202 5.827 1.00 11.22 H new ATOM 0 HA GLU A 84 2.990 9.083 5.041 1.00 4.55 H new ATOM 0 HB2 GLU A 84 2.032 6.590 3.581 1.00 62.51 H new ATOM 0 HB3 GLU A 84 3.522 7.444 3.232 1.00 62.51 H new ATOM 0 HG2 GLU A 84 3.014 6.471 6.035 1.00 43.33 H new ATOM 0 HG3 GLU A 84 3.503 5.321 4.806 1.00 43.33 H new ATOM 688 N LEU A 85 0.390 8.942 3.028 1.00 5.21 N ATOM 689 CA LEU A 85 -0.296 9.634 1.943 1.00 43.41 C ATOM 690 C LEU A 85 -0.873 10.962 2.423 1.00 31.34 C ATOM 691 O LEU A 85 -0.994 11.913 1.652 1.00 54.33 O ATOM 692 CB LEU A 85 -1.412 8.756 1.376 1.00 31.30 C ATOM 693 CG LEU A 85 -1.018 7.324 1.009 1.00 60.11 C ATOM 694 CD1 LEU A 85 -2.250 6.505 0.659 1.00 72.13 C ATOM 695 CD2 LEU A 85 -0.029 7.324 -0.148 1.00 63.42 C ATOM 0 H LEU A 85 -0.142 8.176 3.442 1.00 5.21 H new ATOM 0 HA LEU A 85 0.432 9.837 1.158 1.00 43.41 H new ATOM 0 HB2 LEU A 85 -2.220 8.714 2.106 1.00 31.30 H new ATOM 0 HB3 LEU A 85 -1.812 9.241 0.486 1.00 31.30 H new ATOM 0 HG LEU A 85 -0.536 6.867 1.873 1.00 60.11 H new ATOM 0 HD11 LEU A 85 -1.950 5.489 0.401 1.00 72.13 H new ATOM 0 HD12 LEU A 85 -2.924 6.478 1.515 1.00 72.13 H new ATOM 0 HD13 LEU A 85 -2.760 6.960 -0.190 1.00 72.13 H new ATOM 0 HD21 LEU A 85 0.241 6.297 -0.396 1.00 63.42 H new ATOM 0 HD22 LEU A 85 -0.485 7.799 -1.016 1.00 63.42 H new ATOM 0 HD23 LEU A 85 0.867 7.875 0.139 1.00 63.42 H new ATOM 707 N VAL A 86 -1.225 11.020 3.703 1.00 13.04 N ATOM 708 CA VAL A 86 -1.786 12.232 4.288 1.00 30.33 C ATOM 709 C VAL A 86 -0.751 13.351 4.331 1.00 12.24 C ATOM 710 O VAL A 86 -1.057 14.506 4.038 1.00 51.23 O ATOM 711 CB VAL A 86 -2.310 11.977 5.714 1.00 2.12 C ATOM 712 CG1 VAL A 86 -2.863 13.259 6.318 1.00 52.34 C ATOM 713 CG2 VAL A 86 -3.368 10.883 5.704 1.00 1.34 C ATOM 0 H VAL A 86 -1.132 10.241 4.355 1.00 13.04 H new ATOM 0 HA VAL A 86 -2.618 12.534 3.652 1.00 30.33 H new ATOM 0 HB VAL A 86 -1.478 11.642 6.334 1.00 2.12 H new ATOM 0 HG11 VAL A 86 -3.228 13.059 7.325 1.00 52.34 H new ATOM 0 HG12 VAL A 86 -2.075 14.011 6.361 1.00 52.34 H new ATOM 0 HG13 VAL A 86 -3.683 13.628 5.701 1.00 52.34 H new ATOM 0 HG21 VAL A 86 -3.728 10.715 6.719 1.00 1.34 H new ATOM 0 HG22 VAL A 86 -4.201 11.188 5.070 1.00 1.34 H new ATOM 0 HG23 VAL A 86 -2.935 9.961 5.316 1.00 1.34 H new ATOM 723 N LYS A 87 0.476 13.001 4.701 1.00 61.54 N ATOM 724 CA LYS A 87 1.558 13.973 4.781 1.00 4.51 C ATOM 725 C LYS A 87 2.201 14.188 3.415 1.00 52.05 C ATOM 726 O LYS A 87 2.446 15.323 3.004 1.00 33.14 O ATOM 727 CB LYS A 87 2.616 13.509 5.785 1.00 0.02 C ATOM 728 CG LYS A 87 2.341 13.958 7.211 1.00 71.02 C ATOM 729 CD LYS A 87 3.629 14.144 7.995 1.00 31.10 C ATOM 730 CE LYS A 87 4.321 12.814 8.252 1.00 4.30 C ATOM 731 NZ LYS A 87 5.662 12.999 8.874 1.00 1.22 N ATOM 0 H LYS A 87 0.746 12.049 4.950 1.00 61.54 H new ATOM 0 HA LYS A 87 1.136 14.920 5.117 1.00 4.51 H new ATOM 0 HB2 LYS A 87 2.675 12.421 5.761 1.00 0.02 H new ATOM 0 HB3 LYS A 87 3.590 13.888 5.475 1.00 0.02 H new ATOM 0 HG2 LYS A 87 1.784 14.895 7.197 1.00 71.02 H new ATOM 0 HG3 LYS A 87 1.713 13.221 7.711 1.00 71.02 H new ATOM 0 HD2 LYS A 87 4.299 14.804 7.444 1.00 31.10 H new ATOM 0 HD3 LYS A 87 3.411 14.632 8.945 1.00 31.10 H new ATOM 0 HE2 LYS A 87 3.699 12.201 8.904 1.00 4.30 H new ATOM 0 HE3 LYS A 87 4.428 12.272 7.312 1.00 4.30 H new ATOM 0 HZ1 LYS A 87 6.102 12.070 9.034 1.00 1.22 H new ATOM 0 HZ2 LYS A 87 6.264 13.563 8.240 1.00 1.22 H new ATOM 0 HZ3 LYS A 87 5.558 13.493 9.783 1.00 1.22 H new ATOM 745 N HIS A 88 2.468 13.092 2.712 1.00 5.52 N ATOM 746 CA HIS A 88 3.080 13.162 1.390 1.00 32.43 C ATOM 747 C HIS A 88 2.064 12.823 0.303 1.00 22.32 C ATOM 748 O HIS A 88 2.265 11.897 -0.482 1.00 41.31 O ATOM 749 CB HIS A 88 4.272 12.207 1.306 1.00 72.02 C ATOM 750 CG HIS A 88 5.461 12.664 2.092 1.00 23.23 C ATOM 751 ND1 HIS A 88 6.152 13.823 1.808 1.00 11.23 N ATOM 752 CD2 HIS A 88 6.082 12.110 3.160 1.00 2.31 C ATOM 753 CE1 HIS A 88 7.146 13.963 2.667 1.00 44.12 C ATOM 754 NE2 HIS A 88 7.126 12.936 3.497 1.00 1.44 N ATOM 0 H HIS A 88 2.270 12.145 3.036 1.00 5.52 H new ATOM 0 HA HIS A 88 3.429 14.182 1.231 1.00 32.43 H new ATOM 0 HB2 HIS A 88 3.966 11.224 1.664 1.00 72.02 H new ATOM 0 HB3 HIS A 88 4.560 12.090 0.261 1.00 72.02 H new ATOM 0 HD2 HIS A 88 5.807 11.190 3.655 1.00 2.31 H new ATOM 0 HE1 HIS A 88 7.854 14.778 2.687 1.00 44.12 H new ATOM 0 HE2 HIS A 88 7.780 12.781 4.264 1.00 1.44 H new ATOM 763 N GLY A 89 0.970 13.579 0.265 1.00 2.14 N ATOM 764 CA GLY A 89 -0.061 13.342 -0.727 1.00 41.12 C ATOM 765 C GLY A 89 -1.391 13.957 -0.340 1.00 2.22 C ATOM 766 O GLY A 89 -2.388 13.251 -0.189 1.00 23.15 O ATOM 0 H GLY A 89 0.780 14.351 0.904 1.00 2.14 H new ATOM 0 HA2 GLY A 89 0.260 13.751 -1.685 1.00 41.12 H new ATOM 0 HA3 GLY A 89 -0.187 12.268 -0.866 1.00 41.12 H new TER 770 GLY A 89