USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 957 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 MET CE :methyl -137:sc= -0.183 (180deg=-0.894) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 1.75 (180deg=1.49) USER MOD Single : A 10 SER OG : rot 180:sc= -0.43 USER MOD Single : A 11 SER OG : rot 23:sc= 0.355 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 89:sc= 0.398 USER MOD Single : A 22 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00524) USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00773) USER MOD Single : A 31 TYR OH : rot 180:sc=-0.000415 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= -0.391 (180deg=-2.5!) USER MOD Single : A 47 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.051) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -107:sc= 0.512 (180deg=-0.167) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.74! X(o=-2.7!,f=-2.6) USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0.966 (180deg=0.954) USER MOD Single : A 60 LYS NZ :NH3+ -140:sc= -0.094 (180deg=-1.49) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0.385 (180deg=0.312) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.0022) USER MOD Single : A 83 LYS NZ :NH3+ -133:sc= 0.762 (180deg=-0.146) USER MOD Single : A 85 THR OG1 : rot 75:sc= 0.332 USER MOD Single : A 89 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.045) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 0.652 (180deg=0.646) USER MOD Single : A 92 GLN : amide:sc= 0.467 X(o=0.47,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -114:sc= 1.01 (180deg=-0.0482) USER MOD Single : A 99 LYS NZ :NH3+ -146:sc= 0.88 (180deg=0.133) USER MOD Single : A 100 LYS NZ :NH3+ -136:sc= 1 (180deg=0.0457) USER MOD Single : A 102 SER OG : rot -3:sc= 0.411 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=-0.006) USER MOD Single : A 107 HIS : no HD1:sc= -0.0511 X(o=-0.051,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.165 K(o=-0.16,f=-2) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0203 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.288 14.985 -16.299 1.00 21.43 N ATOM 2 CA MET A 1 1.779 14.063 -15.268 1.00 30.00 C ATOM 3 C MET A 1 2.527 14.309 -13.951 1.00 24.50 C ATOM 4 O MET A 1 3.580 13.713 -13.696 1.00 4.42 O ATOM 5 CB MET A 1 1.908 12.592 -15.758 1.00 43.32 C ATOM 6 CG MET A 1 1.327 11.537 -14.799 1.00 51.45 C ATOM 7 SD MET A 1 1.350 9.862 -15.490 1.00 62.23 S ATOM 8 CE MET A 1 0.371 10.067 -16.987 1.00 32.52 C ATOM 0 H1 MET A 1 1.782 14.820 -17.193 1.00 21.43 H new ATOM 0 H2 MET A 1 2.137 15.967 -15.992 1.00 21.43 H new ATOM 0 H3 MET A 1 3.305 14.820 -16.441 1.00 21.43 H new ATOM 0 HA MET A 1 0.720 14.248 -15.087 1.00 30.00 H new ATOM 0 HB2 MET A 1 1.408 12.500 -16.722 1.00 43.32 H new ATOM 0 HB3 MET A 1 2.962 12.370 -15.923 1.00 43.32 H new ATOM 0 HG2 MET A 1 1.895 11.548 -13.869 1.00 51.45 H new ATOM 0 HG3 MET A 1 0.301 11.807 -14.549 1.00 51.45 H new ATOM 0 HE1 MET A 1 -0.313 9.225 -17.093 1.00 32.52 H new ATOM 0 HE2 MET A 1 -0.201 10.993 -16.924 1.00 32.52 H new ATOM 0 HE3 MET A 1 1.033 10.107 -17.852 1.00 32.52 H new ATOM 20 N GLY A 2 1.993 15.238 -13.138 1.00 0.22 N ATOM 21 CA GLY A 2 2.550 15.561 -11.827 1.00 15.24 C ATOM 22 C GLY A 2 1.874 14.771 -10.720 1.00 63.43 C ATOM 23 O GLY A 2 1.404 15.339 -9.728 1.00 73.12 O ATOM 0 H GLY A 2 1.164 15.781 -13.378 1.00 0.22 H new ATOM 0 HA2 GLY A 2 3.619 15.350 -11.824 1.00 15.24 H new ATOM 0 HA3 GLY A 2 2.435 16.628 -11.635 1.00 15.24 H new ATOM 27 N SER A 3 1.833 13.445 -10.889 1.00 63.30 N ATOM 28 CA SER A 3 1.124 12.539 -9.978 1.00 53.02 C ATOM 29 C SER A 3 2.101 11.599 -9.251 1.00 10.25 C ATOM 30 O SER A 3 3.277 11.489 -9.613 1.00 62.32 O ATOM 31 CB SER A 3 0.079 11.730 -10.780 1.00 51.32 C ATOM 32 OG SER A 3 -0.827 12.596 -11.454 1.00 70.24 O ATOM 0 H SER A 3 2.292 12.968 -11.665 1.00 63.30 H new ATOM 0 HA SER A 3 0.618 13.130 -9.215 1.00 53.02 H new ATOM 0 HB2 SER A 3 0.585 11.092 -11.504 1.00 51.32 H new ATOM 0 HB3 SER A 3 -0.472 11.073 -10.107 1.00 51.32 H new ATOM 0 HG SER A 3 -1.478 12.062 -11.956 1.00 70.24 H new ATOM 38 N LYS A 4 1.582 10.930 -8.231 1.00 50.21 N ATOM 39 CA LYS A 4 2.314 9.964 -7.400 1.00 11.53 C ATOM 40 C LYS A 4 1.358 8.849 -6.997 1.00 23.31 C ATOM 41 O LYS A 4 0.169 9.097 -6.842 1.00 25.02 O ATOM 42 CB LYS A 4 2.912 10.690 -6.145 1.00 30.13 C ATOM 43 CG LYS A 4 3.269 9.784 -4.926 1.00 3.32 C ATOM 44 CD LYS A 4 4.322 10.422 -3.976 1.00 4.42 C ATOM 45 CE LYS A 4 4.031 11.896 -3.648 1.00 55.55 C ATOM 46 NZ LYS A 4 5.117 12.503 -2.832 1.00 22.44 N ATOM 0 H LYS A 4 0.610 11.043 -7.944 1.00 50.21 H new ATOM 0 HA LYS A 4 3.145 9.531 -7.957 1.00 11.53 H new ATOM 0 HB2 LYS A 4 3.814 11.219 -6.453 1.00 30.13 H new ATOM 0 HB3 LYS A 4 2.198 11.444 -5.813 1.00 30.13 H new ATOM 0 HG2 LYS A 4 2.361 9.572 -4.361 1.00 3.32 H new ATOM 0 HG3 LYS A 4 3.649 8.829 -5.290 1.00 3.32 H new ATOM 0 HD2 LYS A 4 4.358 9.851 -3.048 1.00 4.42 H new ATOM 0 HD3 LYS A 4 5.308 10.347 -4.435 1.00 4.42 H new ATOM 0 HE2 LYS A 4 3.914 12.459 -4.574 1.00 55.55 H new ATOM 0 HE3 LYS A 4 3.086 11.969 -3.109 1.00 55.55 H new ATOM 0 HZ1 LYS A 4 5.012 13.538 -2.829 1.00 22.44 H new ATOM 0 HZ2 LYS A 4 5.059 12.147 -1.857 1.00 22.44 H new ATOM 0 HZ3 LYS A 4 6.040 12.250 -3.239 1.00 22.44 H new ATOM 60 N ILE A 5 1.865 7.618 -6.891 1.00 53.35 N ATOM 61 CA ILE A 5 1.116 6.491 -6.310 1.00 32.23 C ATOM 62 C ILE A 5 1.822 6.032 -5.028 1.00 15.14 C ATOM 63 O ILE A 5 3.043 6.209 -4.861 1.00 2.11 O ATOM 64 CB ILE A 5 0.953 5.290 -7.309 1.00 64.21 C ATOM 65 CG1 ILE A 5 2.334 4.675 -7.677 1.00 12.13 C ATOM 66 CG2 ILE A 5 0.176 5.737 -8.579 1.00 13.54 C ATOM 67 CD1 ILE A 5 2.284 3.529 -8.671 1.00 53.05 C ATOM 0 H ILE A 5 2.804 7.371 -7.204 1.00 53.35 H new ATOM 0 HA ILE A 5 0.108 6.839 -6.083 1.00 32.23 H new ATOM 0 HB ILE A 5 0.371 4.512 -6.815 1.00 64.21 H new ATOM 0 HG12 ILE A 5 2.968 5.462 -8.085 1.00 12.13 H new ATOM 0 HG13 ILE A 5 2.812 4.322 -6.763 1.00 12.13 H new ATOM 0 HG21 ILE A 5 0.073 4.891 -9.259 1.00 13.54 H new ATOM 0 HG22 ILE A 5 -0.813 6.095 -8.293 1.00 13.54 H new ATOM 0 HG23 ILE A 5 0.722 6.538 -9.077 1.00 13.54 H new ATOM 0 HD11 ILE A 5 3.295 3.169 -8.863 1.00 53.05 H new ATOM 0 HD12 ILE A 5 1.682 2.718 -8.261 1.00 53.05 H new ATOM 0 HD13 ILE A 5 1.839 3.876 -9.604 1.00 53.05 H new ATOM 79 N ILE A 6 1.039 5.467 -4.110 1.00 71.44 N ATOM 80 CA ILE A 6 1.533 5.015 -2.806 1.00 64.11 C ATOM 81 C ILE A 6 1.424 3.496 -2.717 1.00 70.34 C ATOM 82 O ILE A 6 0.482 2.908 -3.240 1.00 54.23 O ATOM 83 CB ILE A 6 0.727 5.698 -1.635 1.00 74.24 C ATOM 84 CG1 ILE A 6 0.972 7.248 -1.615 1.00 45.43 C ATOM 85 CG2 ILE A 6 1.056 5.067 -0.265 1.00 65.33 C ATOM 86 CD1 ILE A 6 2.423 7.687 -1.419 1.00 34.41 C ATOM 0 H ILE A 6 0.041 5.308 -4.248 1.00 71.44 H new ATOM 0 HA ILE A 6 2.579 5.304 -2.705 1.00 64.11 H new ATOM 0 HB ILE A 6 -0.332 5.523 -1.825 1.00 74.24 H new ATOM 0 HG12 ILE A 6 0.609 7.667 -2.553 1.00 45.43 H new ATOM 0 HG13 ILE A 6 0.369 7.682 -0.817 1.00 45.43 H new ATOM 0 HG21 ILE A 6 0.480 5.567 0.514 1.00 65.33 H new ATOM 0 HG22 ILE A 6 0.801 4.007 -0.282 1.00 65.33 H new ATOM 0 HG23 ILE A 6 2.120 5.181 -0.058 1.00 65.33 H new ATOM 0 HD11 ILE A 6 2.477 8.776 -1.421 1.00 34.41 H new ATOM 0 HD12 ILE A 6 2.793 7.307 -0.466 1.00 34.41 H new ATOM 0 HD13 ILE A 6 3.035 7.292 -2.229 1.00 34.41 H new ATOM 98 N VAL A 7 2.413 2.876 -2.064 1.00 43.14 N ATOM 99 CA VAL A 7 2.396 1.457 -1.727 1.00 53.21 C ATOM 100 C VAL A 7 2.466 1.337 -0.198 1.00 43.54 C ATOM 101 O VAL A 7 3.453 1.746 0.401 1.00 41.11 O ATOM 102 CB VAL A 7 3.581 0.684 -2.418 1.00 35.12 C ATOM 103 CG1 VAL A 7 3.656 -0.771 -1.924 1.00 32.40 C ATOM 104 CG2 VAL A 7 3.452 0.740 -3.964 1.00 13.40 C ATOM 0 H VAL A 7 3.257 3.356 -1.753 1.00 43.14 H new ATOM 0 HA VAL A 7 1.478 0.999 -2.096 1.00 53.21 H new ATOM 0 HB VAL A 7 4.511 1.179 -2.139 1.00 35.12 H new ATOM 0 HG11 VAL A 7 4.483 -1.281 -2.418 1.00 32.40 H new ATOM 0 HG12 VAL A 7 3.815 -0.781 -0.846 1.00 32.40 H new ATOM 0 HG13 VAL A 7 2.723 -1.283 -2.158 1.00 32.40 H new ATOM 0 HG21 VAL A 7 4.282 0.199 -4.418 1.00 13.40 H new ATOM 0 HG22 VAL A 7 2.511 0.282 -4.267 1.00 13.40 H new ATOM 0 HG23 VAL A 7 3.472 1.779 -4.293 1.00 13.40 H new ATOM 114 N ILE A 8 1.398 0.807 0.427 1.00 41.32 N ATOM 115 CA ILE A 8 1.327 0.647 1.888 1.00 21.43 C ATOM 116 C ILE A 8 1.516 -0.830 2.255 1.00 30.30 C ATOM 117 O ILE A 8 0.761 -1.687 1.817 1.00 35.15 O ATOM 118 CB ILE A 8 -0.028 1.196 2.495 1.00 52.50 C ATOM 119 CG1 ILE A 8 -0.140 2.738 2.246 1.00 21.35 C ATOM 120 CG2 ILE A 8 -0.150 0.863 4.010 1.00 2.14 C ATOM 121 CD1 ILE A 8 -1.358 3.419 2.843 1.00 74.14 C ATOM 0 H ILE A 8 0.566 0.480 -0.064 1.00 41.32 H new ATOM 0 HA ILE A 8 2.130 1.242 2.322 1.00 21.43 H new ATOM 0 HB ILE A 8 -0.856 0.699 1.989 1.00 52.50 H new ATOM 0 HG12 ILE A 8 0.753 3.217 2.647 1.00 21.35 H new ATOM 0 HG13 ILE A 8 -0.140 2.914 1.170 1.00 21.35 H new ATOM 0 HG21 ILE A 8 -1.092 1.255 4.394 1.00 2.14 H new ATOM 0 HG22 ILE A 8 -0.123 -0.218 4.148 1.00 2.14 H new ATOM 0 HG23 ILE A 8 0.680 1.319 4.551 1.00 2.14 H new ATOM 0 HD11 ILE A 8 -1.331 4.483 2.608 1.00 74.14 H new ATOM 0 HD12 ILE A 8 -2.263 2.978 2.425 1.00 74.14 H new ATOM 0 HD13 ILE A 8 -1.356 3.286 3.925 1.00 74.14 H new ATOM 133 N ILE A 9 2.505 -1.077 3.108 1.00 70.50 N ATOM 134 CA ILE A 9 2.841 -2.393 3.626 1.00 30.33 C ATOM 135 C ILE A 9 2.125 -2.500 4.981 1.00 33.33 C ATOM 136 O ILE A 9 2.585 -1.929 5.981 1.00 32.21 O ATOM 137 CB ILE A 9 4.403 -2.623 3.796 1.00 52.23 C ATOM 138 CG1 ILE A 9 5.178 -2.579 2.420 1.00 54.52 C ATOM 139 CG2 ILE A 9 4.672 -3.960 4.529 1.00 24.13 C ATOM 140 CD1 ILE A 9 5.307 -1.203 1.765 1.00 65.54 C ATOM 0 H ILE A 9 3.113 -0.341 3.468 1.00 70.50 H new ATOM 0 HA ILE A 9 2.522 -3.162 2.922 1.00 30.33 H new ATOM 0 HB ILE A 9 4.784 -1.798 4.398 1.00 52.23 H new ATOM 0 HG12 ILE A 9 6.179 -2.980 2.577 1.00 54.52 H new ATOM 0 HG13 ILE A 9 4.674 -3.246 1.721 1.00 54.52 H new ATOM 0 HG21 ILE A 9 5.747 -4.105 4.639 1.00 24.13 H new ATOM 0 HG22 ILE A 9 4.207 -3.935 5.514 1.00 24.13 H new ATOM 0 HG23 ILE A 9 4.252 -4.783 3.951 1.00 24.13 H new ATOM 0 HD11 ILE A 9 5.856 -1.296 0.828 1.00 65.54 H new ATOM 0 HD12 ILE A 9 4.314 -0.801 1.565 1.00 65.54 H new ATOM 0 HD13 ILE A 9 5.843 -0.530 2.435 1.00 65.54 H new ATOM 152 N SER A 10 0.962 -3.160 4.981 1.00 33.02 N ATOM 153 CA SER A 10 0.101 -3.276 6.168 1.00 24.03 C ATOM 154 C SER A 10 0.012 -4.738 6.646 1.00 31.34 C ATOM 155 O SER A 10 -0.183 -5.671 5.851 1.00 74.42 O ATOM 156 CB SER A 10 -1.289 -2.670 5.871 1.00 13.44 C ATOM 157 OG SER A 10 -1.791 -3.105 4.623 1.00 54.31 O ATOM 0 H SER A 10 0.588 -3.631 4.157 1.00 33.02 H new ATOM 0 HA SER A 10 0.543 -2.708 6.987 1.00 24.03 H new ATOM 0 HB2 SER A 10 -1.985 -2.950 6.661 1.00 13.44 H new ATOM 0 HB3 SER A 10 -1.221 -1.582 5.877 1.00 13.44 H new ATOM 0 HG SER A 10 -2.672 -2.705 4.467 1.00 54.31 H new ATOM 163 N SER A 11 0.201 -4.898 7.963 1.00 52.05 N ATOM 164 CA SER A 11 0.158 -6.188 8.656 1.00 65.24 C ATOM 165 C SER A 11 -0.707 -6.073 9.911 1.00 63.14 C ATOM 166 O SER A 11 -0.438 -5.206 10.751 1.00 21.43 O ATOM 167 CB SER A 11 1.594 -6.631 9.031 1.00 71.33 C ATOM 168 OG SER A 11 2.244 -5.695 9.880 1.00 44.31 O ATOM 0 H SER A 11 0.392 -4.115 8.588 1.00 52.05 H new ATOM 0 HA SER A 11 -0.279 -6.937 7.996 1.00 65.24 H new ATOM 0 HB2 SER A 11 1.555 -7.601 9.527 1.00 71.33 H new ATOM 0 HB3 SER A 11 2.181 -6.761 8.122 1.00 71.33 H new ATOM 0 HG SER A 11 1.572 -5.159 10.351 1.00 44.31 H new ATOM 174 N ASP A 12 -1.741 -6.934 10.007 1.00 73.14 N ATOM 175 CA ASP A 12 -2.610 -7.094 11.205 1.00 22.05 C ATOM 176 C ASP A 12 -3.535 -5.878 11.463 1.00 71.21 C ATOM 177 O ASP A 12 -4.761 -5.981 11.322 1.00 24.54 O ATOM 178 CB ASP A 12 -1.766 -7.432 12.481 1.00 54.21 C ATOM 179 CG ASP A 12 -1.064 -8.804 12.409 1.00 32.33 C ATOM 180 OD1 ASP A 12 -0.003 -8.920 11.757 1.00 14.31 O ATOM 181 OD2 ASP A 12 -1.573 -9.778 13.008 1.00 43.54 O ATOM 0 H ASP A 12 -2.006 -7.553 9.241 1.00 73.14 H new ATOM 0 HA ASP A 12 -3.265 -7.937 10.985 1.00 22.05 H new ATOM 0 HB2 ASP A 12 -1.015 -6.656 12.626 1.00 54.21 H new ATOM 0 HB3 ASP A 12 -2.418 -7.412 13.354 1.00 54.21 H new ATOM 186 N ASP A 13 -2.932 -4.751 11.870 1.00 15.44 N ATOM 187 CA ASP A 13 -3.633 -3.550 12.338 1.00 51.33 C ATOM 188 C ASP A 13 -4.312 -2.781 11.182 1.00 0.45 C ATOM 189 O ASP A 13 -3.718 -2.595 10.109 1.00 31.45 O ATOM 190 CB ASP A 13 -2.629 -2.637 13.076 1.00 32.14 C ATOM 191 CG ASP A 13 -3.313 -1.469 13.781 1.00 32.52 C ATOM 192 OD1 ASP A 13 -3.888 -1.683 14.866 1.00 43.42 O ATOM 193 OD2 ASP A 13 -3.297 -0.348 13.258 1.00 12.41 O ATOM 0 H ASP A 13 -1.917 -4.649 11.882 1.00 15.44 H new ATOM 0 HA ASP A 13 -4.427 -3.861 13.017 1.00 51.33 H new ATOM 0 HB2 ASP A 13 -2.077 -3.226 13.808 1.00 32.14 H new ATOM 0 HB3 ASP A 13 -1.901 -2.251 12.363 1.00 32.14 H new ATOM 198 N THR A 14 -5.548 -2.301 11.450 1.00 74.10 N ATOM 199 CA THR A 14 -6.423 -1.670 10.449 1.00 41.54 C ATOM 200 C THR A 14 -5.980 -0.237 10.069 1.00 1.30 C ATOM 201 O THR A 14 -6.270 0.209 8.959 1.00 73.33 O ATOM 202 CB THR A 14 -7.911 -1.635 10.956 1.00 60.10 C ATOM 203 OG1 THR A 14 -8.320 -2.951 11.351 1.00 12.21 O ATOM 204 CG2 THR A 14 -8.895 -1.105 9.887 1.00 1.42 C ATOM 0 H THR A 14 -5.966 -2.344 12.380 1.00 74.10 H new ATOM 0 HA THR A 14 -6.345 -2.285 9.553 1.00 41.54 H new ATOM 0 HB THR A 14 -7.939 -0.949 11.803 1.00 60.10 H new ATOM 0 HG1 THR A 14 -9.247 -2.924 11.668 1.00 12.21 H new ATOM 0 HG21 THR A 14 -9.907 -1.103 10.293 1.00 1.42 H new ATOM 0 HG22 THR A 14 -8.615 -0.090 9.606 1.00 1.42 H new ATOM 0 HG23 THR A 14 -8.858 -1.748 9.008 1.00 1.42 H new ATOM 212 N THR A 15 -5.287 0.480 10.977 1.00 53.23 N ATOM 213 CA THR A 15 -4.982 1.917 10.799 1.00 40.32 C ATOM 214 C THR A 15 -4.229 2.199 9.479 1.00 63.21 C ATOM 215 O THR A 15 -4.558 3.144 8.768 1.00 11.40 O ATOM 216 CB THR A 15 -4.166 2.486 12.002 1.00 45.53 C ATOM 217 OG1 THR A 15 -4.829 2.154 13.234 1.00 55.03 O ATOM 218 CG2 THR A 15 -4.012 4.008 11.917 1.00 3.12 C ATOM 0 H THR A 15 -4.926 0.086 11.846 1.00 53.23 H new ATOM 0 HA THR A 15 -5.945 2.425 10.755 1.00 40.32 H new ATOM 0 HB THR A 15 -3.173 2.038 11.968 1.00 45.53 H new ATOM 0 HG1 THR A 15 -4.514 1.281 13.550 1.00 55.03 H new ATOM 0 HG21 THR A 15 -3.438 4.364 12.773 1.00 3.12 H new ATOM 0 HG22 THR A 15 -3.491 4.270 10.996 1.00 3.12 H new ATOM 0 HG23 THR A 15 -4.997 4.474 11.922 1.00 3.12 H new ATOM 226 N LEU A 16 -3.280 1.322 9.128 1.00 55.34 N ATOM 227 CA LEU A 16 -2.425 1.509 7.928 1.00 13.10 C ATOM 228 C LEU A 16 -3.250 1.265 6.643 1.00 51.41 C ATOM 229 O LEU A 16 -3.023 1.899 5.603 1.00 45.41 O ATOM 230 CB LEU A 16 -1.169 0.580 7.959 1.00 41.30 C ATOM 231 CG LEU A 16 -0.192 0.750 9.176 1.00 72.21 C ATOM 232 CD1 LEU A 16 -0.759 0.146 10.486 1.00 61.32 C ATOM 233 CD2 LEU A 16 1.203 0.168 8.850 1.00 0.12 C ATOM 0 H LEU A 16 -3.077 0.471 9.653 1.00 55.34 H new ATOM 0 HA LEU A 16 -2.067 2.539 7.932 1.00 13.10 H new ATOM 0 HB2 LEU A 16 -1.511 -0.455 7.940 1.00 41.30 H new ATOM 0 HB3 LEU A 16 -0.602 0.745 7.043 1.00 41.30 H new ATOM 0 HG LEU A 16 -0.087 1.821 9.349 1.00 72.21 H new ATOM 0 HD11 LEU A 16 -0.042 0.292 11.294 1.00 61.32 H new ATOM 0 HD12 LEU A 16 -1.697 0.641 10.739 1.00 61.32 H new ATOM 0 HD13 LEU A 16 -0.937 -0.920 10.348 1.00 61.32 H new ATOM 0 HD21 LEU A 16 1.861 0.298 9.709 1.00 0.12 H new ATOM 0 HD22 LEU A 16 1.110 -0.894 8.622 1.00 0.12 H new ATOM 0 HD23 LEU A 16 1.622 0.689 7.989 1.00 0.12 H new ATOM 245 N GLU A 17 -4.214 0.347 6.768 1.00 72.04 N ATOM 246 CA GLU A 17 -5.167 -0.021 5.708 1.00 53.42 C ATOM 247 C GLU A 17 -6.134 1.149 5.398 1.00 41.43 C ATOM 248 O GLU A 17 -6.336 1.512 4.237 1.00 42.45 O ATOM 249 CB GLU A 17 -5.977 -1.259 6.175 1.00 45.22 C ATOM 250 CG GLU A 17 -5.126 -2.490 6.554 1.00 52.02 C ATOM 251 CD GLU A 17 -5.912 -3.596 7.279 1.00 35.11 C ATOM 252 OE1 GLU A 17 -7.136 -3.755 7.036 1.00 12.43 O ATOM 253 OE2 GLU A 17 -5.313 -4.307 8.111 1.00 72.43 O ATOM 0 H GLU A 17 -4.359 -0.176 7.631 1.00 72.04 H new ATOM 0 HA GLU A 17 -4.614 -0.251 4.797 1.00 53.42 H new ATOM 0 HB2 GLU A 17 -6.582 -0.975 7.036 1.00 45.22 H new ATOM 0 HB3 GLU A 17 -6.667 -1.544 5.381 1.00 45.22 H new ATOM 0 HG2 GLU A 17 -4.685 -2.906 5.648 1.00 52.02 H new ATOM 0 HG3 GLU A 17 -4.302 -2.167 7.191 1.00 52.02 H new ATOM 260 N GLU A 18 -6.732 1.721 6.461 1.00 2.40 N ATOM 261 CA GLU A 18 -7.778 2.762 6.341 1.00 24.51 C ATOM 262 C GLU A 18 -7.187 4.146 5.997 1.00 13.44 C ATOM 263 O GLU A 18 -7.891 4.998 5.431 1.00 5.41 O ATOM 264 CB GLU A 18 -8.621 2.853 7.643 1.00 55.04 C ATOM 265 CG GLU A 18 -7.850 3.409 8.854 1.00 73.31 C ATOM 266 CD GLU A 18 -8.747 3.756 10.039 1.00 15.43 C ATOM 267 OE1 GLU A 18 -9.480 4.765 9.953 1.00 1.34 O ATOM 268 OE2 GLU A 18 -8.714 3.040 11.065 1.00 14.11 O ATOM 0 H GLU A 18 -6.506 1.477 7.425 1.00 2.40 H new ATOM 0 HA GLU A 18 -8.426 2.464 5.517 1.00 24.51 H new ATOM 0 HB2 GLU A 18 -9.489 3.485 7.457 1.00 55.04 H new ATOM 0 HB3 GLU A 18 -8.997 1.860 7.890 1.00 55.04 H new ATOM 0 HG2 GLU A 18 -7.110 2.675 9.172 1.00 73.31 H new ATOM 0 HG3 GLU A 18 -7.304 4.301 8.548 1.00 73.31 H new ATOM 275 N LEU A 19 -5.906 4.375 6.368 1.00 32.00 N ATOM 276 CA LEU A 19 -5.181 5.616 6.027 1.00 73.42 C ATOM 277 C LEU A 19 -5.087 5.782 4.506 1.00 71.12 C ATOM 278 O LEU A 19 -5.173 6.899 4.008 1.00 4.55 O ATOM 279 CB LEU A 19 -3.770 5.650 6.696 1.00 15.03 C ATOM 280 CG LEU A 19 -3.746 6.116 8.197 1.00 5.23 C ATOM 281 CD1 LEU A 19 -2.388 5.819 8.873 1.00 75.11 C ATOM 282 CD2 LEU A 19 -4.109 7.616 8.313 1.00 32.23 C ATOM 0 H LEU A 19 -5.352 3.710 6.907 1.00 32.00 H new ATOM 0 HA LEU A 19 -5.745 6.461 6.423 1.00 73.42 H new ATOM 0 HB2 LEU A 19 -3.334 4.653 6.636 1.00 15.03 H new ATOM 0 HB3 LEU A 19 -3.128 6.314 6.117 1.00 15.03 H new ATOM 0 HG LEU A 19 -4.502 5.538 8.729 1.00 5.23 H new ATOM 0 HD11 LEU A 19 -2.416 6.157 9.909 1.00 75.11 H new ATOM 0 HD12 LEU A 19 -2.195 4.747 8.846 1.00 75.11 H new ATOM 0 HD13 LEU A 19 -1.594 6.344 8.341 1.00 75.11 H new ATOM 0 HD21 LEU A 19 -4.086 7.916 9.361 1.00 32.23 H new ATOM 0 HD22 LEU A 19 -3.389 8.209 7.750 1.00 32.23 H new ATOM 0 HD23 LEU A 19 -5.108 7.781 7.910 1.00 32.23 H new ATOM 294 N ALA A 20 -4.981 4.652 3.789 1.00 44.44 N ATOM 295 CA ALA A 20 -4.952 4.610 2.311 1.00 14.32 C ATOM 296 C ALA A 20 -6.156 5.344 1.680 1.00 73.55 C ATOM 297 O ALA A 20 -6.043 5.921 0.593 1.00 74.44 O ATOM 298 CB ALA A 20 -4.923 3.151 1.848 1.00 2.32 C ATOM 0 H ALA A 20 -4.912 3.730 4.220 1.00 44.44 H new ATOM 0 HA ALA A 20 -4.053 5.128 1.978 1.00 14.32 H new ATOM 0 HB1 ALA A 20 -4.902 3.115 0.759 1.00 2.32 H new ATOM 0 HB2 ALA A 20 -4.034 2.661 2.245 1.00 2.32 H new ATOM 0 HB3 ALA A 20 -5.813 2.637 2.210 1.00 2.32 H new ATOM 304 N ARG A 21 -7.308 5.303 2.384 1.00 10.43 N ATOM 305 CA ARG A 21 -8.558 5.971 1.950 1.00 20.42 C ATOM 306 C ARG A 21 -8.434 7.504 2.047 1.00 24.01 C ATOM 307 O ARG A 21 -9.041 8.240 1.252 1.00 25.31 O ATOM 308 CB ARG A 21 -9.761 5.431 2.769 1.00 2.42 C ATOM 309 CG ARG A 21 -11.147 5.961 2.333 1.00 64.45 C ATOM 310 CD ARG A 21 -12.308 5.207 3.020 1.00 23.10 C ATOM 311 NE ARG A 21 -12.198 5.211 4.495 1.00 21.23 N ATOM 312 CZ ARG A 21 -12.453 4.160 5.305 1.00 42.42 C ATOM 313 NH1 ARG A 21 -12.841 2.992 4.809 1.00 4.04 N ATOM 314 NH2 ARG A 21 -12.322 4.297 6.611 1.00 15.43 N ATOM 0 H ARG A 21 -7.399 4.806 3.270 1.00 10.43 H new ATOM 0 HA ARG A 21 -8.735 5.738 0.900 1.00 20.42 H new ATOM 0 HB2 ARG A 21 -9.768 4.343 2.700 1.00 2.42 H new ATOM 0 HB3 ARG A 21 -9.607 5.683 3.818 1.00 2.42 H new ATOM 0 HG2 ARG A 21 -11.217 7.023 2.568 1.00 64.45 H new ATOM 0 HG3 ARG A 21 -11.245 5.867 1.252 1.00 64.45 H new ATOM 0 HD2 ARG A 21 -13.254 5.663 2.729 1.00 23.10 H new ATOM 0 HD3 ARG A 21 -12.328 4.177 2.664 1.00 23.10 H new ATOM 0 HE ARG A 21 -11.905 6.081 4.939 1.00 21.23 H new ATOM 0 HH11 ARG A 21 -12.951 2.877 3.801 1.00 4.04 H new ATOM 0 HH12 ARG A 21 -13.029 2.209 5.435 1.00 4.04 H new ATOM 0 HH21 ARG A 21 -12.030 5.192 7.003 1.00 15.43 H new ATOM 0 HH22 ARG A 21 -12.513 3.508 7.228 1.00 15.43 H new ATOM 328 N LYS A 22 -7.630 7.976 3.014 1.00 22.34 N ATOM 329 CA LYS A 22 -7.297 9.404 3.153 1.00 41.32 C ATOM 330 C LYS A 22 -6.377 9.852 1.992 1.00 32.21 C ATOM 331 O LYS A 22 -6.607 10.907 1.392 1.00 40.54 O ATOM 332 CB LYS A 22 -6.610 9.678 4.524 1.00 31.32 C ATOM 333 CG LYS A 22 -7.477 9.422 5.775 1.00 13.32 C ATOM 334 CD LYS A 22 -8.728 10.336 5.824 1.00 23.32 C ATOM 335 CE LYS A 22 -9.457 10.285 7.176 1.00 22.14 C ATOM 336 NZ LYS A 22 -9.886 8.917 7.542 1.00 50.10 N ATOM 0 H LYS A 22 -7.194 7.381 3.719 1.00 22.34 H new ATOM 0 HA LYS A 22 -8.222 9.980 3.112 1.00 41.32 H new ATOM 0 HB2 LYS A 22 -5.717 9.057 4.591 1.00 31.32 H new ATOM 0 HB3 LYS A 22 -6.279 10.716 4.542 1.00 31.32 H new ATOM 0 HG2 LYS A 22 -7.792 8.379 5.788 1.00 13.32 H new ATOM 0 HG3 LYS A 22 -6.876 9.585 6.670 1.00 13.32 H new ATOM 0 HD2 LYS A 22 -8.429 11.364 5.618 1.00 23.32 H new ATOM 0 HD3 LYS A 22 -9.418 10.040 5.034 1.00 23.32 H new ATOM 0 HE2 LYS A 22 -8.800 10.676 7.953 1.00 22.14 H new ATOM 0 HE3 LYS A 22 -10.330 10.937 7.139 1.00 22.14 H new ATOM 0 HZ1 LYS A 22 -10.402 8.945 8.445 1.00 50.10 H new ATOM 0 HZ2 LYS A 22 -10.508 8.538 6.800 1.00 50.10 H new ATOM 0 HZ3 LYS A 22 -9.050 8.305 7.639 1.00 50.10 H new ATOM 350 N ILE A 23 -5.344 9.032 1.684 1.00 61.25 N ATOM 351 CA ILE A 23 -4.373 9.320 0.604 1.00 62.33 C ATOM 352 C ILE A 23 -5.066 9.397 -0.776 1.00 30.03 C ATOM 353 O ILE A 23 -4.910 10.394 -1.486 1.00 64.41 O ATOM 354 CB ILE A 23 -3.177 8.271 0.567 1.00 72.33 C ATOM 355 CG1 ILE A 23 -2.151 8.516 1.724 1.00 22.52 C ATOM 356 CG2 ILE A 23 -2.437 8.277 -0.789 1.00 12.14 C ATOM 357 CD1 ILE A 23 -2.548 7.995 3.091 1.00 3.21 C ATOM 0 H ILE A 23 -5.162 8.157 2.175 1.00 61.25 H new ATOM 0 HA ILE A 23 -3.945 10.297 0.830 1.00 62.33 H new ATOM 0 HB ILE A 23 -3.634 7.291 0.705 1.00 72.33 H new ATOM 0 HG12 ILE A 23 -1.203 8.057 1.444 1.00 22.52 H new ATOM 0 HG13 ILE A 23 -1.974 9.589 1.804 1.00 22.52 H new ATOM 0 HG21 ILE A 23 -1.629 7.545 -0.766 1.00 12.14 H new ATOM 0 HG22 ILE A 23 -3.136 8.022 -1.586 1.00 12.14 H new ATOM 0 HG23 ILE A 23 -2.023 9.268 -0.973 1.00 12.14 H new ATOM 0 HD11 ILE A 23 -1.761 8.223 3.810 1.00 3.21 H new ATOM 0 HD12 ILE A 23 -3.476 8.471 3.406 1.00 3.21 H new ATOM 0 HD13 ILE A 23 -2.693 6.916 3.041 1.00 3.21 H new ATOM 369 N LYS A 24 -5.853 8.355 -1.125 1.00 45.30 N ATOM 370 CA LYS A 24 -6.470 8.199 -2.475 1.00 42.33 C ATOM 371 C LYS A 24 -7.347 9.409 -2.871 1.00 62.25 C ATOM 372 O LYS A 24 -7.594 9.628 -4.063 1.00 14.32 O ATOM 373 CB LYS A 24 -7.314 6.900 -2.541 1.00 4.33 C ATOM 374 CG LYS A 24 -8.625 6.961 -1.727 1.00 24.13 C ATOM 375 CD LYS A 24 -9.456 5.661 -1.781 1.00 2.24 C ATOM 376 CE LYS A 24 -9.789 5.203 -3.205 1.00 0.21 C ATOM 377 NZ LYS A 24 -10.524 6.229 -3.979 1.00 42.22 N ATOM 0 H LYS A 24 -6.082 7.595 -0.484 1.00 45.30 H new ATOM 0 HA LYS A 24 -5.648 8.141 -3.188 1.00 42.33 H new ATOM 0 HB2 LYS A 24 -7.555 6.688 -3.583 1.00 4.33 H new ATOM 0 HB3 LYS A 24 -6.711 6.068 -2.177 1.00 4.33 H new ATOM 0 HG2 LYS A 24 -8.386 7.185 -0.687 1.00 24.13 H new ATOM 0 HG3 LYS A 24 -9.234 7.785 -2.098 1.00 24.13 H new ATOM 0 HD2 LYS A 24 -8.908 4.868 -1.272 1.00 2.24 H new ATOM 0 HD3 LYS A 24 -10.385 5.810 -1.230 1.00 2.24 H new ATOM 0 HE2 LYS A 24 -8.865 4.953 -3.727 1.00 0.21 H new ATOM 0 HE3 LYS A 24 -10.386 4.292 -3.159 1.00 0.21 H new ATOM 0 HZ1 LYS A 24 -10.768 5.849 -4.916 1.00 42.22 H new ATOM 0 HZ2 LYS A 24 -11.395 6.488 -3.473 1.00 42.22 H new ATOM 0 HZ3 LYS A 24 -9.926 7.072 -4.093 1.00 42.22 H new ATOM 391 N ASP A 25 -7.802 10.171 -1.855 1.00 74.35 N ATOM 392 CA ASP A 25 -8.662 11.364 -2.020 1.00 72.20 C ATOM 393 C ASP A 25 -8.016 12.411 -2.959 1.00 24.25 C ATOM 394 O ASP A 25 -8.719 13.144 -3.661 1.00 22.25 O ATOM 395 CB ASP A 25 -8.938 11.993 -0.625 1.00 21.20 C ATOM 396 CG ASP A 25 -10.172 12.913 -0.601 1.00 21.22 C ATOM 397 OD1 ASP A 25 -10.104 14.048 -1.121 1.00 0.21 O ATOM 398 OD2 ASP A 25 -11.217 12.514 -0.042 1.00 2.21 O ATOM 0 H ASP A 25 -7.579 9.972 -0.880 1.00 74.35 H new ATOM 0 HA ASP A 25 -9.600 11.050 -2.479 1.00 72.20 H new ATOM 0 HB2 ASP A 25 -9.075 11.195 0.104 1.00 21.20 H new ATOM 0 HB3 ASP A 25 -8.063 12.563 -0.313 1.00 21.20 H new ATOM 403 N GLU A 26 -6.674 12.441 -2.976 1.00 32.01 N ATOM 404 CA GLU A 26 -5.884 13.364 -3.829 1.00 3.34 C ATOM 405 C GLU A 26 -6.024 13.030 -5.333 1.00 33.23 C ATOM 406 O GLU A 26 -5.723 13.869 -6.190 1.00 21.31 O ATOM 407 CB GLU A 26 -4.394 13.325 -3.404 1.00 32.43 C ATOM 408 CG GLU A 26 -4.131 13.647 -1.917 1.00 42.23 C ATOM 409 CD GLU A 26 -4.606 15.051 -1.501 1.00 53.34 C ATOM 410 OE1 GLU A 26 -3.838 16.024 -1.634 1.00 54.52 O ATOM 411 OE2 GLU A 26 -5.762 15.187 -1.048 1.00 54.03 O ATOM 0 H GLU A 26 -6.098 11.827 -2.400 1.00 32.01 H new ATOM 0 HA GLU A 26 -6.279 14.370 -3.685 1.00 3.34 H new ATOM 0 HB2 GLU A 26 -3.996 12.334 -3.622 1.00 32.43 H new ATOM 0 HB3 GLU A 26 -3.838 14.034 -4.018 1.00 32.43 H new ATOM 0 HG2 GLU A 26 -4.633 12.904 -1.298 1.00 42.23 H new ATOM 0 HG3 GLU A 26 -3.063 13.559 -1.717 1.00 42.23 H new ATOM 418 N GLY A 27 -6.467 11.793 -5.628 1.00 53.21 N ATOM 419 CA GLY A 27 -6.761 11.340 -6.990 1.00 13.24 C ATOM 420 C GLY A 27 -5.701 10.388 -7.534 1.00 33.54 C ATOM 421 O GLY A 27 -5.306 10.493 -8.699 1.00 74.40 O ATOM 0 H GLY A 27 -6.630 11.079 -4.918 1.00 53.21 H new ATOM 0 HA2 GLY A 27 -7.731 10.843 -7.002 1.00 13.24 H new ATOM 0 HA3 GLY A 27 -6.838 12.206 -7.648 1.00 13.24 H new ATOM 425 N LEU A 28 -5.233 9.454 -6.687 1.00 70.32 N ATOM 426 CA LEU A 28 -4.230 8.446 -7.089 1.00 0.13 C ATOM 427 C LEU A 28 -4.715 7.035 -6.766 1.00 32.15 C ATOM 428 O LEU A 28 -5.498 6.837 -5.821 1.00 62.40 O ATOM 429 CB LEU A 28 -2.856 8.679 -6.392 1.00 20.24 C ATOM 430 CG LEU A 28 -2.836 8.637 -4.819 1.00 64.20 C ATOM 431 CD1 LEU A 28 -1.432 8.296 -4.277 1.00 64.32 C ATOM 432 CD2 LEU A 28 -3.322 9.969 -4.222 1.00 3.31 C ATOM 0 H LEU A 28 -5.534 9.375 -5.716 1.00 70.32 H new ATOM 0 HA LEU A 28 -4.097 8.553 -8.166 1.00 0.13 H new ATOM 0 HB2 LEU A 28 -2.158 7.927 -6.760 1.00 20.24 H new ATOM 0 HB3 LEU A 28 -2.475 9.650 -6.710 1.00 20.24 H new ATOM 0 HG LEU A 28 -3.521 7.846 -4.512 1.00 64.20 H new ATOM 0 HD11 LEU A 28 -1.458 8.276 -3.187 1.00 64.32 H new ATOM 0 HD12 LEU A 28 -1.125 7.319 -4.651 1.00 64.32 H new ATOM 0 HD13 LEU A 28 -0.720 9.052 -4.610 1.00 64.32 H new ATOM 0 HD21 LEU A 28 -3.297 9.911 -3.134 1.00 3.31 H new ATOM 0 HD22 LEU A 28 -2.671 10.777 -4.557 1.00 3.31 H new ATOM 0 HD23 LEU A 28 -4.342 10.165 -4.552 1.00 3.31 H new ATOM 444 N GLU A 29 -4.232 6.067 -7.564 1.00 12.45 N ATOM 445 CA GLU A 29 -4.365 4.636 -7.269 1.00 11.42 C ATOM 446 C GLU A 29 -3.405 4.282 -6.122 1.00 5.31 C ATOM 447 O GLU A 29 -2.192 4.529 -6.222 1.00 4.40 O ATOM 448 CB GLU A 29 -4.026 3.791 -8.536 1.00 52.05 C ATOM 449 CG GLU A 29 -4.103 2.256 -8.359 1.00 14.14 C ATOM 450 CD GLU A 29 -5.523 1.726 -8.109 1.00 24.01 C ATOM 451 OE1 GLU A 29 -6.292 1.589 -9.084 1.00 71.33 O ATOM 452 OE2 GLU A 29 -5.888 1.449 -6.943 1.00 3.25 O ATOM 0 H GLU A 29 -3.737 6.260 -8.435 1.00 12.45 H new ATOM 0 HA GLU A 29 -5.391 4.412 -6.975 1.00 11.42 H new ATOM 0 HB2 GLU A 29 -4.707 4.081 -9.336 1.00 52.05 H new ATOM 0 HB3 GLU A 29 -3.020 4.050 -8.865 1.00 52.05 H new ATOM 0 HG2 GLU A 29 -3.699 1.777 -9.251 1.00 14.14 H new ATOM 0 HG3 GLU A 29 -3.465 1.964 -7.524 1.00 14.14 H new ATOM 459 N VAL A 30 -3.950 3.741 -5.031 1.00 2.24 N ATOM 460 CA VAL A 30 -3.159 3.283 -3.884 1.00 12.14 C ATOM 461 C VAL A 30 -3.048 1.752 -3.952 1.00 2.11 C ATOM 462 O VAL A 30 -4.054 1.047 -4.104 1.00 22.34 O ATOM 463 CB VAL A 30 -3.780 3.744 -2.508 1.00 73.40 C ATOM 464 CG1 VAL A 30 -2.918 3.270 -1.312 1.00 4.04 C ATOM 465 CG2 VAL A 30 -3.967 5.278 -2.484 1.00 2.52 C ATOM 0 H VAL A 30 -4.955 3.607 -4.916 1.00 2.24 H new ATOM 0 HA VAL A 30 -2.168 3.734 -3.936 1.00 12.14 H new ATOM 0 HB VAL A 30 -4.760 3.278 -2.409 1.00 73.40 H new ATOM 0 HG11 VAL A 30 -3.374 3.604 -0.380 1.00 4.04 H new ATOM 0 HG12 VAL A 30 -2.857 2.182 -1.316 1.00 4.04 H new ATOM 0 HG13 VAL A 30 -1.916 3.690 -1.397 1.00 4.04 H new ATOM 0 HG21 VAL A 30 -4.396 5.577 -1.528 1.00 2.52 H new ATOM 0 HG22 VAL A 30 -3.001 5.764 -2.616 1.00 2.52 H new ATOM 0 HG23 VAL A 30 -4.636 5.576 -3.291 1.00 2.52 H new ATOM 475 N TYR A 31 -1.813 1.267 -3.847 1.00 32.41 N ATOM 476 CA TYR A 31 -1.473 -0.149 -3.876 1.00 31.42 C ATOM 477 C TYR A 31 -1.167 -0.571 -2.451 1.00 73.33 C ATOM 478 O TYR A 31 -0.459 0.138 -1.739 1.00 43.01 O ATOM 479 CB TYR A 31 -0.238 -0.399 -4.784 1.00 72.33 C ATOM 480 CG TYR A 31 -0.448 0.007 -6.255 1.00 43.11 C ATOM 481 CD1 TYR A 31 -0.384 1.349 -6.649 1.00 60.31 C ATOM 482 CD2 TYR A 31 -0.724 -0.941 -7.244 1.00 12.33 C ATOM 483 CE1 TYR A 31 -0.593 1.719 -7.960 1.00 14.33 C ATOM 484 CE2 TYR A 31 -0.935 -0.565 -8.560 1.00 73.11 C ATOM 485 CZ TYR A 31 -0.863 0.760 -8.910 1.00 53.42 C ATOM 486 OH TYR A 31 -1.079 1.138 -10.212 1.00 73.24 O ATOM 0 H TYR A 31 -0.997 1.870 -3.736 1.00 32.41 H new ATOM 0 HA TYR A 31 -2.302 -0.728 -4.283 1.00 31.42 H new ATOM 0 HB2 TYR A 31 0.612 0.153 -4.383 1.00 72.33 H new ATOM 0 HB3 TYR A 31 0.021 -1.457 -4.743 1.00 72.33 H new ATOM 0 HD1 TYR A 31 -0.167 2.108 -5.912 1.00 60.31 H new ATOM 0 HD2 TYR A 31 -0.774 -1.986 -6.977 1.00 12.33 H new ATOM 0 HE1 TYR A 31 -0.545 2.760 -8.242 1.00 14.33 H new ATOM 0 HE2 TYR A 31 -1.155 -1.312 -9.308 1.00 73.11 H new ATOM 0 HH TYR A 31 -1.255 0.344 -10.758 1.00 73.24 H new ATOM 496 N ILE A 32 -1.728 -1.686 -2.015 1.00 62.44 N ATOM 497 CA ILE A 32 -1.503 -2.195 -0.659 1.00 72.41 C ATOM 498 C ILE A 32 -0.754 -3.525 -0.760 1.00 62.44 C ATOM 499 O ILE A 32 -1.244 -4.445 -1.398 1.00 25.25 O ATOM 500 CB ILE A 32 -2.866 -2.397 0.110 1.00 1.31 C ATOM 501 CG1 ILE A 32 -3.745 -1.100 0.096 1.00 54.03 C ATOM 502 CG2 ILE A 32 -2.630 -2.888 1.557 1.00 5.14 C ATOM 503 CD1 ILE A 32 -3.185 0.081 0.876 1.00 20.44 C ATOM 0 H ILE A 32 -2.349 -2.265 -2.580 1.00 62.44 H new ATOM 0 HA ILE A 32 -0.914 -1.470 -0.097 1.00 72.41 H new ATOM 0 HB ILE A 32 -3.418 -3.171 -0.423 1.00 1.31 H new ATOM 0 HG12 ILE A 32 -3.891 -0.792 -0.939 1.00 54.03 H new ATOM 0 HG13 ILE A 32 -4.728 -1.344 0.498 1.00 54.03 H new ATOM 0 HG21 ILE A 32 -3.589 -3.017 2.058 1.00 5.14 H new ATOM 0 HG22 ILE A 32 -2.100 -3.841 1.536 1.00 5.14 H new ATOM 0 HG23 ILE A 32 -2.034 -2.153 2.098 1.00 5.14 H new ATOM 0 HD11 ILE A 32 -3.871 0.925 0.801 1.00 20.44 H new ATOM 0 HD12 ILE A 32 -3.067 -0.198 1.923 1.00 20.44 H new ATOM 0 HD13 ILE A 32 -2.216 0.363 0.464 1.00 20.44 H new ATOM 515 N LEU A 33 0.439 -3.618 -0.165 1.00 50.34 N ATOM 516 CA LEU A 33 1.155 -4.886 -0.026 1.00 33.33 C ATOM 517 C LEU A 33 0.846 -5.450 1.343 1.00 24.12 C ATOM 518 O LEU A 33 1.375 -4.991 2.367 1.00 63.45 O ATOM 519 CB LEU A 33 2.677 -4.713 -0.239 1.00 24.30 C ATOM 520 CG LEU A 33 3.088 -4.277 -1.672 1.00 52.10 C ATOM 521 CD1 LEU A 33 4.620 -4.354 -1.866 1.00 50.21 C ATOM 522 CD2 LEU A 33 2.326 -5.090 -2.746 1.00 4.55 C ATOM 0 H LEU A 33 0.933 -2.819 0.232 1.00 50.34 H new ATOM 0 HA LEU A 33 0.822 -5.581 -0.797 1.00 33.33 H new ATOM 0 HB2 LEU A 33 3.047 -3.974 0.471 1.00 24.30 H new ATOM 0 HB3 LEU A 33 3.172 -5.656 -0.005 1.00 24.30 H new ATOM 0 HG LEU A 33 2.803 -3.233 -1.798 1.00 52.10 H new ATOM 0 HD11 LEU A 33 4.875 -4.042 -2.879 1.00 50.21 H new ATOM 0 HD12 LEU A 33 5.111 -3.695 -1.150 1.00 50.21 H new ATOM 0 HD13 LEU A 33 4.956 -5.379 -1.706 1.00 50.21 H new ATOM 0 HD21 LEU A 33 2.635 -4.762 -3.738 1.00 4.55 H new ATOM 0 HD22 LEU A 33 2.551 -6.150 -2.628 1.00 4.55 H new ATOM 0 HD23 LEU A 33 1.254 -4.932 -2.629 1.00 4.55 H new ATOM 534 N LEU A 34 -0.047 -6.424 1.351 1.00 51.13 N ATOM 535 CA LEU A 34 -0.537 -7.021 2.573 1.00 31.20 C ATOM 536 C LEU A 34 0.410 -8.169 2.950 1.00 72.01 C ATOM 537 O LEU A 34 0.902 -8.905 2.074 1.00 71.43 O ATOM 538 CB LEU A 34 -2.013 -7.505 2.371 1.00 2.33 C ATOM 539 CG LEU A 34 -2.981 -7.304 3.587 1.00 53.55 C ATOM 540 CD1 LEU A 34 -2.544 -8.087 4.844 1.00 50.34 C ATOM 541 CD2 LEU A 34 -3.142 -5.805 3.913 1.00 33.23 C ATOM 0 H LEU A 34 -0.452 -6.822 0.504 1.00 51.13 H new ATOM 0 HA LEU A 34 -0.552 -6.299 3.390 1.00 31.20 H new ATOM 0 HB2 LEU A 34 -2.430 -6.981 1.511 1.00 2.33 H new ATOM 0 HB3 LEU A 34 -1.994 -8.566 2.120 1.00 2.33 H new ATOM 0 HG LEU A 34 -3.946 -7.712 3.285 1.00 53.55 H new ATOM 0 HD11 LEU A 34 -3.255 -7.906 5.651 1.00 50.34 H new ATOM 0 HD12 LEU A 34 -2.516 -9.153 4.617 1.00 50.34 H new ATOM 0 HD13 LEU A 34 -1.553 -7.755 5.153 1.00 50.34 H new ATOM 0 HD21 LEU A 34 -3.818 -5.687 4.760 1.00 33.23 H new ATOM 0 HD22 LEU A 34 -2.170 -5.381 4.163 1.00 33.23 H new ATOM 0 HD23 LEU A 34 -3.552 -5.286 3.047 1.00 33.23 H new ATOM 553 N LYS A 35 0.669 -8.299 4.250 1.00 10.43 N ATOM 554 CA LYS A 35 1.434 -9.407 4.813 1.00 0.15 C ATOM 555 C LYS A 35 0.794 -9.823 6.143 1.00 12.45 C ATOM 556 O LYS A 35 0.630 -9.000 7.048 1.00 13.40 O ATOM 557 CB LYS A 35 2.939 -9.017 4.992 1.00 22.21 C ATOM 558 CG LYS A 35 3.196 -7.685 5.740 1.00 0.21 C ATOM 559 CD LYS A 35 4.668 -7.506 6.198 1.00 75.50 C ATOM 560 CE LYS A 35 5.681 -7.474 5.042 1.00 53.34 C ATOM 561 NZ LYS A 35 7.052 -7.101 5.511 1.00 44.24 N ATOM 0 H LYS A 35 0.349 -7.629 4.949 1.00 10.43 H new ATOM 0 HA LYS A 35 1.411 -10.254 4.128 1.00 0.15 H new ATOM 0 HB2 LYS A 35 3.443 -9.820 5.530 1.00 22.21 H new ATOM 0 HB3 LYS A 35 3.400 -8.955 4.006 1.00 22.21 H new ATOM 0 HG2 LYS A 35 2.923 -6.854 5.090 1.00 0.21 H new ATOM 0 HG3 LYS A 35 2.544 -7.636 6.612 1.00 0.21 H new ATOM 0 HD2 LYS A 35 4.751 -6.580 6.767 1.00 75.50 H new ATOM 0 HD3 LYS A 35 4.929 -8.320 6.874 1.00 75.50 H new ATOM 0 HE2 LYS A 35 5.715 -8.452 4.562 1.00 53.34 H new ATOM 0 HE3 LYS A 35 5.349 -6.761 4.288 1.00 53.34 H new ATOM 0 HZ1 LYS A 35 7.705 -7.091 4.702 1.00 44.24 H new ATOM 0 HZ2 LYS A 35 7.025 -6.157 5.946 1.00 44.24 H new ATOM 0 HZ3 LYS A 35 7.380 -7.796 6.212 1.00 44.24 H new ATOM 575 N ASP A 36 0.375 -11.085 6.231 1.00 22.22 N ATOM 576 CA ASP A 36 -0.053 -11.708 7.494 1.00 43.15 C ATOM 577 C ASP A 36 0.682 -13.031 7.658 1.00 21.45 C ATOM 578 O ASP A 36 1.090 -13.646 6.659 1.00 12.05 O ATOM 579 CB ASP A 36 -1.596 -11.930 7.559 1.00 20.34 C ATOM 580 CG ASP A 36 -2.397 -10.637 7.813 1.00 25.01 C ATOM 581 OD1 ASP A 36 -2.048 -9.884 8.759 1.00 5.03 O ATOM 582 OD2 ASP A 36 -3.382 -10.379 7.099 1.00 10.43 O ATOM 0 H ASP A 36 0.321 -11.711 5.428 1.00 22.22 H new ATOM 0 HA ASP A 36 0.195 -11.030 8.311 1.00 43.15 H new ATOM 0 HB2 ASP A 36 -1.930 -12.376 6.622 1.00 20.34 H new ATOM 0 HB3 ASP A 36 -1.818 -12.646 8.350 1.00 20.34 H new ATOM 587 N LYS A 37 0.813 -13.460 8.928 1.00 60.04 N ATOM 588 CA LYS A 37 1.547 -14.676 9.339 1.00 54.41 C ATOM 589 C LYS A 37 1.028 -15.911 8.573 1.00 14.22 C ATOM 590 O LYS A 37 1.809 -16.774 8.163 1.00 24.05 O ATOM 591 CB LYS A 37 1.431 -14.852 10.899 1.00 41.01 C ATOM 592 CG LYS A 37 2.439 -15.848 11.563 1.00 44.00 C ATOM 593 CD LYS A 37 2.061 -17.335 11.392 1.00 23.23 C ATOM 594 CE LYS A 37 3.147 -18.300 11.891 1.00 22.21 C ATOM 595 NZ LYS A 37 2.781 -19.717 11.620 1.00 13.42 N ATOM 0 H LYS A 37 0.402 -12.960 9.716 1.00 60.04 H new ATOM 0 HA LYS A 37 2.602 -14.572 9.087 1.00 54.41 H new ATOM 0 HB2 LYS A 37 1.560 -13.875 11.364 1.00 41.01 H new ATOM 0 HB3 LYS A 37 0.419 -15.184 11.131 1.00 41.01 H new ATOM 0 HG2 LYS A 37 3.429 -15.685 11.137 1.00 44.00 H new ATOM 0 HG3 LYS A 37 2.509 -15.622 12.627 1.00 44.00 H new ATOM 0 HD2 LYS A 37 1.135 -17.531 11.932 1.00 23.23 H new ATOM 0 HD3 LYS A 37 1.864 -17.534 10.338 1.00 23.23 H new ATOM 0 HE2 LYS A 37 4.094 -18.068 11.404 1.00 22.21 H new ATOM 0 HE3 LYS A 37 3.297 -18.160 12.962 1.00 22.21 H new ATOM 0 HZ1 LYS A 37 3.535 -20.343 11.969 1.00 13.42 H new ATOM 0 HZ2 LYS A 37 1.890 -19.944 12.105 1.00 13.42 H new ATOM 0 HZ3 LYS A 37 2.663 -19.855 10.596 1.00 13.42 H new ATOM 609 N ASP A 38 -0.290 -15.954 8.337 1.00 71.12 N ATOM 610 CA ASP A 38 -0.944 -17.054 7.612 1.00 44.22 C ATOM 611 C ASP A 38 -1.587 -16.489 6.328 1.00 65.14 C ATOM 612 O ASP A 38 -2.270 -15.445 6.360 1.00 64.35 O ATOM 613 CB ASP A 38 -1.981 -17.763 8.524 1.00 21.51 C ATOM 614 CG ASP A 38 -3.201 -16.890 8.848 1.00 65.34 C ATOM 615 OD1 ASP A 38 -3.084 -15.962 9.680 1.00 35.30 O ATOM 616 OD2 ASP A 38 -4.275 -17.129 8.265 1.00 42.34 O ATOM 0 H ASP A 38 -0.935 -15.226 8.644 1.00 71.12 H new ATOM 0 HA ASP A 38 -0.210 -17.808 7.327 1.00 44.22 H new ATOM 0 HB2 ASP A 38 -2.317 -18.679 8.037 1.00 21.51 H new ATOM 0 HB3 ASP A 38 -1.495 -18.057 9.455 1.00 21.51 H new ATOM 621 N GLU A 39 -1.307 -17.159 5.194 1.00 64.25 N ATOM 622 CA GLU A 39 -1.776 -16.737 3.859 1.00 60.43 C ATOM 623 C GLU A 39 -3.328 -16.709 3.708 1.00 43.50 C ATOM 624 O GLU A 39 -3.842 -16.113 2.744 1.00 50.45 O ATOM 625 CB GLU A 39 -1.116 -17.614 2.753 1.00 21.31 C ATOM 626 CG GLU A 39 -1.076 -16.929 1.373 1.00 73.34 C ATOM 627 CD GLU A 39 -0.457 -17.782 0.264 1.00 0.25 C ATOM 628 OE1 GLU A 39 0.728 -18.164 0.381 1.00 33.32 O ATOM 629 OE2 GLU A 39 -1.132 -18.036 -0.749 1.00 53.41 O ATOM 0 H GLU A 39 -0.747 -18.011 5.177 1.00 64.25 H new ATOM 0 HA GLU A 39 -1.459 -15.701 3.737 1.00 60.43 H new ATOM 0 HB2 GLU A 39 -0.099 -17.864 3.056 1.00 21.31 H new ATOM 0 HB3 GLU A 39 -1.663 -18.553 2.669 1.00 21.31 H new ATOM 0 HG2 GLU A 39 -2.092 -16.660 1.084 1.00 73.34 H new ATOM 0 HG3 GLU A 39 -0.513 -16.000 1.458 1.00 73.34 H new ATOM 636 N LYS A 40 -4.067 -17.319 4.656 1.00 32.44 N ATOM 637 CA LYS A 40 -5.547 -17.336 4.620 1.00 43.42 C ATOM 638 C LYS A 40 -6.129 -15.962 5.001 1.00 11.00 C ATOM 639 O LYS A 40 -6.811 -15.328 4.189 1.00 63.33 O ATOM 640 CB LYS A 40 -6.109 -18.437 5.548 1.00 55.51 C ATOM 641 CG LYS A 40 -7.652 -18.523 5.548 1.00 42.20 C ATOM 642 CD LYS A 40 -8.196 -19.691 6.387 1.00 3.42 C ATOM 643 CE LYS A 40 -9.730 -19.750 6.362 1.00 15.54 C ATOM 644 NZ LYS A 40 -10.252 -20.971 7.021 1.00 15.42 N ATOM 0 H LYS A 40 -3.665 -17.807 5.457 1.00 32.44 H new ATOM 0 HA LYS A 40 -5.850 -17.560 3.597 1.00 43.42 H new ATOM 0 HB2 LYS A 40 -5.700 -19.400 5.243 1.00 55.51 H new ATOM 0 HB3 LYS A 40 -5.764 -18.253 6.566 1.00 55.51 H new ATOM 0 HG2 LYS A 40 -8.061 -17.588 5.931 1.00 42.20 H new ATOM 0 HG3 LYS A 40 -8.003 -18.628 4.521 1.00 42.20 H new ATOM 0 HD2 LYS A 40 -7.791 -20.629 6.008 1.00 3.42 H new ATOM 0 HD3 LYS A 40 -7.854 -19.588 7.417 1.00 3.42 H new ATOM 0 HE2 LYS A 40 -10.134 -18.869 6.860 1.00 15.54 H new ATOM 0 HE3 LYS A 40 -10.077 -19.720 5.329 1.00 15.54 H new ATOM 0 HZ1 LYS A 40 -11.291 -20.970 6.981 1.00 15.42 H new ATOM 0 HZ2 LYS A 40 -9.888 -21.813 6.531 1.00 15.42 H new ATOM 0 HZ3 LYS A 40 -9.944 -20.988 8.014 1.00 15.42 H new ATOM 658 N ARG A 41 -5.816 -15.496 6.228 1.00 72.32 N ATOM 659 CA ARG A 41 -6.309 -14.200 6.757 1.00 50.12 C ATOM 660 C ARG A 41 -5.672 -13.032 5.997 1.00 71.31 C ATOM 661 O ARG A 41 -6.215 -11.922 5.963 1.00 21.44 O ATOM 662 CB ARG A 41 -6.007 -14.074 8.270 1.00 63.54 C ATOM 663 CG ARG A 41 -6.701 -15.129 9.162 1.00 32.22 C ATOM 664 CD ARG A 41 -6.358 -14.960 10.655 1.00 14.01 C ATOM 665 NE ARG A 41 -6.841 -16.083 11.478 1.00 41.11 N ATOM 666 CZ ARG A 41 -6.067 -17.028 12.039 1.00 54.14 C ATOM 667 NH1 ARG A 41 -4.746 -17.016 11.871 1.00 23.44 N ATOM 668 NH2 ARG A 41 -6.618 -17.976 12.769 1.00 61.42 N ATOM 0 H ARG A 41 -5.217 -16.002 6.880 1.00 72.32 H new ATOM 0 HA ARG A 41 -7.389 -14.166 6.614 1.00 50.12 H new ATOM 0 HB2 ARG A 41 -4.930 -14.146 8.418 1.00 63.54 H new ATOM 0 HB3 ARG A 41 -6.309 -13.081 8.605 1.00 63.54 H new ATOM 0 HG2 ARG A 41 -7.781 -15.057 9.031 1.00 32.22 H new ATOM 0 HG3 ARG A 41 -6.406 -16.126 8.836 1.00 32.22 H new ATOM 0 HD2 ARG A 41 -5.278 -14.870 10.768 1.00 14.01 H new ATOM 0 HD3 ARG A 41 -6.795 -14.031 11.022 1.00 14.01 H new ATOM 0 HE ARG A 41 -7.847 -16.149 11.635 1.00 41.11 H new ATOM 0 HH11 ARG A 41 -4.310 -16.284 11.311 1.00 23.44 H new ATOM 0 HH12 ARG A 41 -4.170 -17.739 12.302 1.00 23.44 H new ATOM 0 HH21 ARG A 41 -7.629 -17.991 12.907 1.00 61.42 H new ATOM 0 HH22 ARG A 41 -6.034 -18.695 13.196 1.00 61.42 H new ATOM 682 N LEU A 42 -4.488 -13.313 5.427 1.00 71.33 N ATOM 683 CA LEU A 42 -3.822 -12.454 4.449 1.00 53.22 C ATOM 684 C LEU A 42 -4.754 -12.155 3.260 1.00 20.32 C ATOM 685 O LEU A 42 -5.080 -10.994 3.001 1.00 73.00 O ATOM 686 CB LEU A 42 -2.524 -13.172 3.988 1.00 52.40 C ATOM 687 CG LEU A 42 -1.721 -12.542 2.816 1.00 62.12 C ATOM 688 CD1 LEU A 42 -1.376 -11.087 3.097 1.00 12.52 C ATOM 689 CD2 LEU A 42 -0.451 -13.365 2.518 1.00 65.50 C ATOM 0 H LEU A 42 -3.962 -14.160 5.641 1.00 71.33 H new ATOM 0 HA LEU A 42 -3.569 -11.493 4.898 1.00 53.22 H new ATOM 0 HB2 LEU A 42 -1.859 -13.245 4.848 1.00 52.40 H new ATOM 0 HB3 LEU A 42 -2.788 -14.190 3.703 1.00 52.40 H new ATOM 0 HG LEU A 42 -2.355 -12.563 1.930 1.00 62.12 H new ATOM 0 HD11 LEU A 42 -0.815 -10.677 2.257 1.00 12.52 H new ATOM 0 HD12 LEU A 42 -2.294 -10.515 3.233 1.00 12.52 H new ATOM 0 HD13 LEU A 42 -0.772 -11.025 4.002 1.00 12.52 H new ATOM 0 HD21 LEU A 42 0.095 -12.906 1.694 1.00 65.50 H new ATOM 0 HD22 LEU A 42 0.183 -13.390 3.405 1.00 65.50 H new ATOM 0 HD23 LEU A 42 -0.732 -14.382 2.244 1.00 65.50 H new ATOM 701 N GLU A 43 -5.212 -13.224 2.581 1.00 12.42 N ATOM 702 CA GLU A 43 -6.025 -13.103 1.357 1.00 74.13 C ATOM 703 C GLU A 43 -7.438 -12.556 1.673 1.00 75.40 C ATOM 704 O GLU A 43 -8.036 -11.869 0.833 1.00 14.51 O ATOM 705 CB GLU A 43 -6.075 -14.459 0.609 1.00 65.11 C ATOM 706 CG GLU A 43 -6.707 -14.386 -0.798 1.00 11.54 C ATOM 707 CD GLU A 43 -6.549 -15.688 -1.597 1.00 25.52 C ATOM 708 OE1 GLU A 43 -7.334 -16.631 -1.371 1.00 73.50 O ATOM 709 OE2 GLU A 43 -5.616 -15.788 -2.422 1.00 50.24 O ATOM 0 H GLU A 43 -5.031 -14.187 2.863 1.00 12.42 H new ATOM 0 HA GLU A 43 -5.552 -12.378 0.695 1.00 74.13 H new ATOM 0 HB2 GLU A 43 -5.061 -14.849 0.519 1.00 65.11 H new ATOM 0 HB3 GLU A 43 -6.638 -15.172 1.211 1.00 65.11 H new ATOM 0 HG2 GLU A 43 -7.767 -14.152 -0.702 1.00 11.54 H new ATOM 0 HG3 GLU A 43 -6.249 -13.568 -1.354 1.00 11.54 H new ATOM 716 N GLU A 44 -7.936 -12.821 2.904 1.00 32.34 N ATOM 717 CA GLU A 44 -9.210 -12.247 3.400 1.00 62.32 C ATOM 718 C GLU A 44 -9.106 -10.717 3.428 1.00 53.31 C ATOM 719 O GLU A 44 -9.970 -10.000 2.897 1.00 12.22 O ATOM 720 CB GLU A 44 -9.533 -12.760 4.833 1.00 52.32 C ATOM 721 CG GLU A 44 -9.836 -14.262 4.939 1.00 70.04 C ATOM 722 CD GLU A 44 -11.109 -14.672 4.187 1.00 31.05 C ATOM 723 OE1 GLU A 44 -12.222 -14.361 4.670 1.00 23.45 O ATOM 724 OE2 GLU A 44 -11.014 -15.313 3.121 1.00 1.24 O ATOM 0 H GLU A 44 -7.472 -13.432 3.575 1.00 32.34 H new ATOM 0 HA GLU A 44 -10.009 -12.559 2.728 1.00 62.32 H new ATOM 0 HB2 GLU A 44 -8.689 -12.530 5.483 1.00 52.32 H new ATOM 0 HB3 GLU A 44 -10.390 -12.205 5.215 1.00 52.32 H new ATOM 0 HG2 GLU A 44 -8.991 -14.826 4.545 1.00 70.04 H new ATOM 0 HG3 GLU A 44 -9.938 -14.533 5.990 1.00 70.04 H new ATOM 731 N LYS A 45 -8.002 -10.253 4.040 1.00 44.32 N ATOM 732 CA LYS A 45 -7.693 -8.832 4.222 1.00 13.11 C ATOM 733 C LYS A 45 -7.604 -8.121 2.857 1.00 13.24 C ATOM 734 O LYS A 45 -8.144 -7.023 2.674 1.00 21.24 O ATOM 735 CB LYS A 45 -6.340 -8.690 4.980 1.00 21.24 C ATOM 736 CG LYS A 45 -6.102 -7.310 5.635 1.00 63.41 C ATOM 737 CD LYS A 45 -6.686 -7.188 7.062 1.00 75.00 C ATOM 738 CE LYS A 45 -5.816 -7.877 8.145 1.00 74.04 C ATOM 739 NZ LYS A 45 -5.804 -9.363 8.030 1.00 2.23 N ATOM 0 H LYS A 45 -7.289 -10.871 4.428 1.00 44.32 H new ATOM 0 HA LYS A 45 -8.489 -8.368 4.804 1.00 13.11 H new ATOM 0 HB2 LYS A 45 -6.292 -9.456 5.754 1.00 21.24 H new ATOM 0 HB3 LYS A 45 -5.527 -8.890 4.282 1.00 21.24 H new ATOM 0 HG2 LYS A 45 -5.030 -7.116 5.673 1.00 63.41 H new ATOM 0 HG3 LYS A 45 -6.543 -6.538 5.005 1.00 63.41 H new ATOM 0 HD2 LYS A 45 -6.796 -6.133 7.312 1.00 75.00 H new ATOM 0 HD3 LYS A 45 -7.684 -7.625 7.076 1.00 75.00 H new ATOM 0 HE2 LYS A 45 -4.794 -7.505 8.072 1.00 74.04 H new ATOM 0 HE3 LYS A 45 -6.187 -7.598 9.131 1.00 74.04 H new ATOM 0 HZ1 LYS A 45 -5.727 -9.784 8.978 1.00 2.23 H new ATOM 0 HZ2 LYS A 45 -6.685 -9.683 7.580 1.00 2.23 H new ATOM 0 HZ3 LYS A 45 -4.992 -9.660 7.452 1.00 2.23 H new ATOM 753 N ILE A 46 -6.938 -8.810 1.905 1.00 71.14 N ATOM 754 CA ILE A 46 -6.715 -8.324 0.538 1.00 44.12 C ATOM 755 C ILE A 46 -8.054 -8.015 -0.162 1.00 74.22 C ATOM 756 O ILE A 46 -8.240 -6.910 -0.673 1.00 42.01 O ATOM 757 CB ILE A 46 -5.860 -9.360 -0.306 1.00 4.04 C ATOM 758 CG1 ILE A 46 -4.418 -9.493 0.295 1.00 42.53 C ATOM 759 CG2 ILE A 46 -5.795 -8.973 -1.810 1.00 60.53 C ATOM 760 CD1 ILE A 46 -3.536 -10.538 -0.363 1.00 41.12 C ATOM 0 H ILE A 46 -6.537 -9.732 2.073 1.00 71.14 H new ATOM 0 HA ILE A 46 -6.146 -7.397 0.603 1.00 44.12 H new ATOM 0 HB ILE A 46 -6.360 -10.327 -0.244 1.00 4.04 H new ATOM 0 HG12 ILE A 46 -3.922 -8.525 0.224 1.00 42.53 H new ATOM 0 HG13 ILE A 46 -4.504 -9.730 1.355 1.00 42.53 H new ATOM 0 HG21 ILE A 46 -5.200 -9.710 -2.350 1.00 60.53 H new ATOM 0 HG22 ILE A 46 -6.803 -8.948 -2.223 1.00 60.53 H new ATOM 0 HG23 ILE A 46 -5.336 -7.990 -1.913 1.00 60.53 H new ATOM 0 HD11 ILE A 46 -2.561 -10.551 0.125 1.00 41.12 H new ATOM 0 HD12 ILE A 46 -4.002 -11.519 -0.269 1.00 41.12 H new ATOM 0 HD13 ILE A 46 -3.410 -10.296 -1.418 1.00 41.12 H new ATOM 772 N GLN A 47 -8.996 -8.980 -0.129 1.00 60.22 N ATOM 773 CA GLN A 47 -10.299 -8.838 -0.822 1.00 45.34 C ATOM 774 C GLN A 47 -11.161 -7.725 -0.177 1.00 22.41 C ATOM 775 O GLN A 47 -11.859 -6.994 -0.886 1.00 4.42 O ATOM 776 CB GLN A 47 -11.082 -10.181 -0.817 1.00 10.32 C ATOM 777 CG GLN A 47 -10.326 -11.407 -1.386 1.00 65.00 C ATOM 778 CD GLN A 47 -9.673 -11.170 -2.751 1.00 51.52 C ATOM 779 OE1 GLN A 47 -10.296 -11.352 -3.799 1.00 0.11 O ATOM 780 NE2 GLN A 47 -8.403 -10.805 -2.750 1.00 52.51 N ATOM 0 H GLN A 47 -8.882 -9.864 0.367 1.00 60.22 H new ATOM 0 HA GLN A 47 -10.088 -8.558 -1.854 1.00 45.34 H new ATOM 0 HB2 GLN A 47 -11.376 -10.404 0.209 1.00 10.32 H new ATOM 0 HB3 GLN A 47 -12.000 -10.046 -1.390 1.00 10.32 H new ATOM 0 HG2 GLN A 47 -9.555 -11.705 -0.675 1.00 65.00 H new ATOM 0 HG3 GLN A 47 -11.023 -12.241 -1.470 1.00 65.00 H new ATOM 0 HE21 GLN A 47 -7.914 -10.662 -1.866 1.00 52.51 H new ATOM 0 HE22 GLN A 47 -7.912 -10.666 -3.633 1.00 52.51 H new ATOM 789 N LYS A 48 -11.097 -7.617 1.169 1.00 21.23 N ATOM 790 CA LYS A 48 -11.841 -6.585 1.944 1.00 53.42 C ATOM 791 C LYS A 48 -11.356 -5.156 1.626 1.00 21.22 C ATOM 792 O LYS A 48 -12.149 -4.202 1.636 1.00 51.24 O ATOM 793 CB LYS A 48 -11.708 -6.857 3.471 1.00 25.31 C ATOM 794 CG LYS A 48 -12.440 -8.124 3.966 1.00 1.52 C ATOM 795 CD LYS A 48 -13.980 -8.055 3.800 1.00 74.24 C ATOM 796 CE LYS A 48 -14.631 -6.926 4.627 1.00 71.51 C ATOM 797 NZ LYS A 48 -16.119 -6.940 4.520 1.00 74.23 N ATOM 0 H LYS A 48 -10.533 -8.237 1.751 1.00 21.23 H new ATOM 0 HA LYS A 48 -12.888 -6.654 1.648 1.00 53.42 H new ATOM 0 HB2 LYS A 48 -10.650 -6.944 3.720 1.00 25.31 H new ATOM 0 HB3 LYS A 48 -12.094 -5.995 4.015 1.00 25.31 H new ATOM 0 HG2 LYS A 48 -12.062 -8.988 3.420 1.00 1.52 H new ATOM 0 HG3 LYS A 48 -12.203 -8.283 5.018 1.00 1.52 H new ATOM 0 HD2 LYS A 48 -14.219 -7.909 2.747 1.00 74.24 H new ATOM 0 HD3 LYS A 48 -14.414 -9.010 4.096 1.00 74.24 H new ATOM 0 HE2 LYS A 48 -14.342 -7.030 5.673 1.00 71.51 H new ATOM 0 HE3 LYS A 48 -14.252 -5.962 4.286 1.00 71.51 H new ATOM 0 HZ1 LYS A 48 -16.515 -6.166 5.090 1.00 74.23 H new ATOM 0 HZ2 LYS A 48 -16.397 -6.815 3.526 1.00 74.23 H new ATOM 0 HZ3 LYS A 48 -16.484 -7.849 4.869 1.00 74.23 H new ATOM 811 N LEU A 49 -10.051 -5.017 1.367 1.00 62.14 N ATOM 812 CA LEU A 49 -9.440 -3.725 1.025 1.00 3.25 C ATOM 813 C LEU A 49 -9.653 -3.386 -0.464 1.00 53.50 C ATOM 814 O LEU A 49 -9.803 -2.218 -0.816 1.00 42.55 O ATOM 815 CB LEU A 49 -7.940 -3.739 1.392 1.00 1.42 C ATOM 816 CG LEU A 49 -7.608 -3.865 2.905 1.00 11.14 C ATOM 817 CD1 LEU A 49 -6.089 -4.016 3.124 1.00 43.12 C ATOM 818 CD2 LEU A 49 -8.173 -2.668 3.690 1.00 1.42 C ATOM 0 H LEU A 49 -9.390 -5.793 1.388 1.00 62.14 H new ATOM 0 HA LEU A 49 -9.929 -2.942 1.605 1.00 3.25 H new ATOM 0 HB2 LEU A 49 -7.466 -4.568 0.866 1.00 1.42 H new ATOM 0 HB3 LEU A 49 -7.486 -2.822 1.016 1.00 1.42 H new ATOM 0 HG LEU A 49 -8.087 -4.767 3.286 1.00 11.14 H new ATOM 0 HD11 LEU A 49 -5.882 -4.102 4.191 1.00 43.12 H new ATOM 0 HD12 LEU A 49 -5.735 -4.911 2.612 1.00 43.12 H new ATOM 0 HD13 LEU A 49 -5.575 -3.142 2.724 1.00 43.12 H new ATOM 0 HD21 LEU A 49 -7.929 -2.778 4.747 1.00 1.42 H new ATOM 0 HD22 LEU A 49 -7.736 -1.745 3.310 1.00 1.42 H new ATOM 0 HD23 LEU A 49 -9.256 -2.633 3.570 1.00 1.42 H new ATOM 830 N LYS A 50 -9.686 -4.411 -1.342 1.00 74.31 N ATOM 831 CA LYS A 50 -10.032 -4.209 -2.769 1.00 21.35 C ATOM 832 C LYS A 50 -11.520 -3.844 -2.914 1.00 54.11 C ATOM 833 O LYS A 50 -11.899 -3.150 -3.861 1.00 62.41 O ATOM 834 CB LYS A 50 -9.670 -5.446 -3.639 1.00 43.23 C ATOM 835 CG LYS A 50 -8.158 -5.780 -3.661 1.00 65.15 C ATOM 836 CD LYS A 50 -7.729 -6.722 -4.810 1.00 3.22 C ATOM 837 CE LYS A 50 -7.981 -6.108 -6.198 1.00 62.43 C ATOM 838 NZ LYS A 50 -7.288 -6.852 -7.288 1.00 2.13 N ATOM 0 H LYS A 50 -9.480 -5.378 -1.093 1.00 74.31 H new ATOM 0 HA LYS A 50 -9.433 -3.377 -3.139 1.00 21.35 H new ATOM 0 HB2 LYS A 50 -10.217 -6.312 -3.267 1.00 43.23 H new ATOM 0 HB3 LYS A 50 -10.008 -5.270 -4.660 1.00 43.23 H new ATOM 0 HG2 LYS A 50 -7.594 -4.851 -3.740 1.00 65.15 H new ATOM 0 HG3 LYS A 50 -7.886 -6.239 -2.710 1.00 65.15 H new ATOM 0 HD2 LYS A 50 -6.670 -6.957 -4.707 1.00 3.22 H new ATOM 0 HD3 LYS A 50 -8.274 -7.662 -4.728 1.00 3.22 H new ATOM 0 HE2 LYS A 50 -9.053 -6.095 -6.396 1.00 62.43 H new ATOM 0 HE3 LYS A 50 -7.644 -5.071 -6.199 1.00 62.43 H new ATOM 0 HZ1 LYS A 50 -6.479 -6.294 -7.629 1.00 2.13 H new ATOM 0 HZ2 LYS A 50 -6.950 -7.766 -6.924 1.00 2.13 H new ATOM 0 HZ3 LYS A 50 -7.951 -7.016 -8.072 1.00 2.13 H new ATOM 852 N SER A 51 -12.338 -4.317 -1.958 1.00 21.45 N ATOM 853 CA SER A 51 -13.749 -3.907 -1.805 1.00 74.31 C ATOM 854 C SER A 51 -13.856 -2.403 -1.466 1.00 3.04 C ATOM 855 O SER A 51 -14.827 -1.738 -1.850 1.00 40.43 O ATOM 856 CB SER A 51 -14.419 -4.769 -0.711 1.00 2.50 C ATOM 857 OG SER A 51 -15.769 -4.403 -0.489 1.00 54.50 O ATOM 0 H SER A 51 -12.038 -5.000 -1.263 1.00 21.45 H new ATOM 0 HA SER A 51 -14.268 -4.065 -2.750 1.00 74.31 H new ATOM 0 HB2 SER A 51 -14.373 -5.819 -1.000 1.00 2.50 H new ATOM 0 HB3 SER A 51 -13.860 -4.669 0.220 1.00 2.50 H new ATOM 0 HG SER A 51 -16.152 -4.975 0.209 1.00 54.50 H new ATOM 863 N GLN A 52 -12.838 -1.881 -0.751 1.00 40.42 N ATOM 864 CA GLN A 52 -12.718 -0.439 -0.424 1.00 64.20 C ATOM 865 C GLN A 52 -11.951 0.332 -1.529 1.00 50.21 C ATOM 866 O GLN A 52 -11.522 1.469 -1.304 1.00 32.34 O ATOM 867 CB GLN A 52 -12.022 -0.261 0.952 1.00 75.53 C ATOM 868 CG GLN A 52 -12.797 -0.876 2.129 1.00 1.10 C ATOM 869 CD GLN A 52 -12.099 -0.676 3.470 1.00 65.22 C ATOM 870 OE1 GLN A 52 -12.343 0.299 4.179 1.00 62.41 O ATOM 871 NE2 GLN A 52 -11.203 -1.583 3.812 1.00 61.31 N ATOM 0 H GLN A 52 -12.073 -2.446 -0.382 1.00 40.42 H new ATOM 0 HA GLN A 52 -13.723 -0.019 -0.370 1.00 64.20 H new ATOM 0 HB2 GLN A 52 -11.031 -0.712 0.907 1.00 75.53 H new ATOM 0 HB3 GLN A 52 -11.879 0.803 1.141 1.00 75.53 H new ATOM 0 HG2 GLN A 52 -13.792 -0.433 2.173 1.00 1.10 H new ATOM 0 HG3 GLN A 52 -12.931 -1.943 1.951 1.00 1.10 H new ATOM 0 HE21 GLN A 52 -11.025 -2.380 3.201 1.00 61.31 H new ATOM 0 HE22 GLN A 52 -10.689 -1.487 4.688 1.00 61.31 H new ATOM 880 N GLY A 53 -11.785 -0.306 -2.709 1.00 24.51 N ATOM 881 CA GLY A 53 -11.235 0.345 -3.901 1.00 40.23 C ATOM 882 C GLY A 53 -9.734 0.608 -3.806 1.00 12.40 C ATOM 883 O GLY A 53 -9.283 1.738 -4.021 1.00 15.21 O ATOM 0 H GLY A 53 -12.031 -1.285 -2.853 1.00 24.51 H new ATOM 0 HA2 GLY A 53 -11.433 -0.280 -4.772 1.00 40.23 H new ATOM 0 HA3 GLY A 53 -11.753 1.290 -4.062 1.00 40.23 H new ATOM 887 N PHE A 54 -8.966 -0.437 -3.457 1.00 32.23 N ATOM 888 CA PHE A 54 -7.484 -0.395 -3.416 1.00 22.31 C ATOM 889 C PHE A 54 -6.929 -1.552 -4.239 1.00 32.35 C ATOM 890 O PHE A 54 -7.497 -2.650 -4.209 1.00 23.31 O ATOM 891 CB PHE A 54 -6.959 -0.517 -1.960 1.00 74.31 C ATOM 892 CG PHE A 54 -7.455 0.575 -1.022 1.00 41.40 C ATOM 893 CD1 PHE A 54 -7.157 1.908 -1.277 1.00 4.21 C ATOM 894 CD2 PHE A 54 -8.254 0.277 0.084 1.00 24.11 C ATOM 895 CE1 PHE A 54 -7.623 2.903 -0.449 1.00 51.52 C ATOM 896 CE2 PHE A 54 -8.723 1.275 0.909 1.00 62.31 C ATOM 897 CZ PHE A 54 -8.413 2.587 0.639 1.00 14.01 C ATOM 0 H PHE A 54 -9.352 -1.343 -3.193 1.00 32.23 H new ATOM 0 HA PHE A 54 -7.156 0.561 -3.825 1.00 22.31 H new ATOM 0 HB2 PHE A 54 -7.255 -1.486 -1.559 1.00 74.31 H new ATOM 0 HB3 PHE A 54 -5.869 -0.499 -1.976 1.00 74.31 H new ATOM 0 HD1 PHE A 54 -6.553 2.166 -2.134 1.00 4.21 H new ATOM 0 HD2 PHE A 54 -8.508 -0.751 0.295 1.00 24.11 H new ATOM 0 HE1 PHE A 54 -7.370 3.934 -0.650 1.00 51.52 H new ATOM 0 HE2 PHE A 54 -9.333 1.028 1.766 1.00 62.31 H new ATOM 0 HZ PHE A 54 -8.788 3.372 1.279 1.00 14.01 H new ATOM 907 N GLU A 55 -5.823 -1.331 -4.963 1.00 24.32 N ATOM 908 CA GLU A 55 -5.143 -2.405 -5.705 1.00 40.22 C ATOM 909 C GLU A 55 -4.206 -3.162 -4.745 1.00 3.15 C ATOM 910 O GLU A 55 -3.011 -2.858 -4.629 1.00 43.05 O ATOM 911 CB GLU A 55 -4.388 -1.847 -6.942 1.00 53.34 C ATOM 912 CG GLU A 55 -3.812 -2.930 -7.875 1.00 65.42 C ATOM 913 CD GLU A 55 -4.886 -3.894 -8.404 1.00 32.13 C ATOM 914 OE1 GLU A 55 -5.667 -3.493 -9.299 1.00 0.53 O ATOM 915 OE2 GLU A 55 -4.968 -5.054 -7.929 1.00 54.21 O ATOM 0 H GLU A 55 -5.379 -0.417 -5.051 1.00 24.32 H new ATOM 0 HA GLU A 55 -5.884 -3.105 -6.092 1.00 40.22 H new ATOM 0 HB2 GLU A 55 -5.068 -1.216 -7.514 1.00 53.34 H new ATOM 0 HB3 GLU A 55 -3.574 -1.209 -6.599 1.00 53.34 H new ATOM 0 HG2 GLU A 55 -3.315 -2.450 -8.718 1.00 65.42 H new ATOM 0 HG3 GLU A 55 -3.053 -3.499 -7.338 1.00 65.42 H new ATOM 922 N VAL A 56 -4.801 -4.110 -4.010 1.00 3.53 N ATOM 923 CA VAL A 56 -4.115 -4.871 -2.953 1.00 42.21 C ATOM 924 C VAL A 56 -3.536 -6.165 -3.530 1.00 24.50 C ATOM 925 O VAL A 56 -4.207 -6.873 -4.294 1.00 34.33 O ATOM 926 CB VAL A 56 -5.078 -5.199 -1.759 1.00 31.02 C ATOM 927 CG1 VAL A 56 -4.309 -5.755 -0.534 1.00 35.11 C ATOM 928 CG2 VAL A 56 -5.905 -3.960 -1.395 1.00 35.32 C ATOM 0 H VAL A 56 -5.779 -4.374 -4.131 1.00 3.53 H new ATOM 0 HA VAL A 56 -3.306 -4.251 -2.568 1.00 42.21 H new ATOM 0 HB VAL A 56 -5.761 -5.986 -2.078 1.00 31.02 H new ATOM 0 HG11 VAL A 56 -5.012 -5.969 0.271 1.00 35.11 H new ATOM 0 HG12 VAL A 56 -3.790 -6.671 -0.816 1.00 35.11 H new ATOM 0 HG13 VAL A 56 -3.583 -5.016 -0.194 1.00 35.11 H new ATOM 0 HG21 VAL A 56 -6.570 -4.198 -0.565 1.00 35.32 H new ATOM 0 HG22 VAL A 56 -5.237 -3.149 -1.104 1.00 35.32 H new ATOM 0 HG23 VAL A 56 -6.496 -3.651 -2.257 1.00 35.32 H new ATOM 938 N ARG A 57 -2.297 -6.466 -3.125 1.00 1.24 N ATOM 939 CA ARG A 57 -1.496 -7.568 -3.663 1.00 74.42 C ATOM 940 C ARG A 57 -0.754 -8.296 -2.544 1.00 64.11 C ATOM 941 O ARG A 57 -0.438 -7.717 -1.493 1.00 13.23 O ATOM 942 CB ARG A 57 -0.518 -7.044 -4.760 1.00 42.42 C ATOM 943 CG ARG A 57 -1.236 -6.640 -6.072 1.00 61.04 C ATOM 944 CD ARG A 57 -1.944 -7.844 -6.740 1.00 74.21 C ATOM 945 NE ARG A 57 -3.016 -7.458 -7.666 1.00 43.23 N ATOM 946 CZ ARG A 57 -4.029 -8.260 -8.048 1.00 41.24 C ATOM 947 NH1 ARG A 57 -4.132 -9.502 -7.571 1.00 2.21 N ATOM 948 NH2 ARG A 57 -4.925 -7.816 -8.902 1.00 74.44 N ATOM 0 H ARG A 57 -1.814 -5.938 -2.398 1.00 1.24 H new ATOM 0 HA ARG A 57 -2.164 -8.290 -4.132 1.00 74.42 H new ATOM 0 HB2 ARG A 57 0.027 -6.184 -4.371 1.00 42.42 H new ATOM 0 HB3 ARG A 57 0.220 -7.816 -4.979 1.00 42.42 H new ATOM 0 HG2 ARG A 57 -1.968 -5.861 -5.860 1.00 61.04 H new ATOM 0 HG3 ARG A 57 -0.511 -6.215 -6.766 1.00 61.04 H new ATOM 0 HD2 ARG A 57 -1.205 -8.435 -7.280 1.00 74.21 H new ATOM 0 HD3 ARG A 57 -2.360 -8.486 -5.964 1.00 74.21 H new ATOM 0 HE ARG A 57 -2.992 -6.513 -8.048 1.00 43.23 H new ATOM 0 HH11 ARG A 57 -3.439 -9.853 -6.910 1.00 2.21 H new ATOM 0 HH12 ARG A 57 -4.903 -10.100 -7.868 1.00 2.21 H new ATOM 0 HH21 ARG A 57 -4.851 -6.868 -9.272 1.00 74.44 H new ATOM 0 HH22 ARG A 57 -5.694 -8.419 -9.194 1.00 74.44 H new ATOM 962 N LYS A 58 -0.496 -9.580 -2.805 1.00 71.51 N ATOM 963 CA LYS A 58 0.123 -10.514 -1.865 1.00 53.03 C ATOM 964 C LYS A 58 1.634 -10.560 -2.124 1.00 0.33 C ATOM 965 O LYS A 58 2.056 -10.760 -3.267 1.00 45.14 O ATOM 966 CB LYS A 58 -0.517 -11.913 -2.085 1.00 42.00 C ATOM 967 CG LYS A 58 -0.029 -13.024 -1.131 1.00 41.24 C ATOM 968 CD LYS A 58 -0.670 -14.397 -1.443 1.00 3.03 C ATOM 969 CE LYS A 58 -2.205 -14.404 -1.313 1.00 11.21 C ATOM 970 NZ LYS A 58 -2.787 -15.732 -1.662 1.00 25.23 N ATOM 0 H LYS A 58 -0.719 -10.010 -3.703 1.00 71.51 H new ATOM 0 HA LYS A 58 -0.039 -10.199 -0.834 1.00 53.03 H new ATOM 0 HB2 LYS A 58 -1.598 -11.819 -1.982 1.00 42.00 H new ATOM 0 HB3 LYS A 58 -0.320 -12.226 -3.110 1.00 42.00 H new ATOM 0 HG2 LYS A 58 1.055 -13.109 -1.202 1.00 41.24 H new ATOM 0 HG3 LYS A 58 -0.261 -12.744 -0.103 1.00 41.24 H new ATOM 0 HD2 LYS A 58 -0.398 -14.694 -2.456 1.00 3.03 H new ATOM 0 HD3 LYS A 58 -0.253 -15.145 -0.769 1.00 3.03 H new ATOM 0 HE2 LYS A 58 -2.484 -14.142 -0.292 1.00 11.21 H new ATOM 0 HE3 LYS A 58 -2.628 -13.640 -1.965 1.00 11.21 H new ATOM 0 HZ1 LYS A 58 -3.816 -15.710 -1.513 1.00 25.23 H new ATOM 0 HZ2 LYS A 58 -2.586 -15.948 -2.659 1.00 25.23 H new ATOM 0 HZ3 LYS A 58 -2.365 -16.466 -1.057 1.00 25.23 H new ATOM 984 N VAL A 59 2.442 -10.369 -1.065 1.00 60.34 N ATOM 985 CA VAL A 59 3.916 -10.426 -1.154 1.00 41.33 C ATOM 986 C VAL A 59 4.468 -11.574 -0.304 1.00 34.43 C ATOM 987 O VAL A 59 3.871 -11.976 0.708 1.00 64.53 O ATOM 988 CB VAL A 59 4.608 -9.070 -0.746 1.00 13.42 C ATOM 989 CG1 VAL A 59 4.418 -8.007 -1.852 1.00 75.14 C ATOM 990 CG2 VAL A 59 4.099 -8.559 0.632 1.00 5.44 C ATOM 0 H VAL A 59 2.095 -10.171 -0.126 1.00 60.34 H new ATOM 0 HA VAL A 59 4.153 -10.605 -2.203 1.00 41.33 H new ATOM 0 HB VAL A 59 5.677 -9.257 -0.640 1.00 13.42 H new ATOM 0 HG11 VAL A 59 4.903 -7.078 -1.551 1.00 75.14 H new ATOM 0 HG12 VAL A 59 4.863 -8.365 -2.781 1.00 75.14 H new ATOM 0 HG13 VAL A 59 3.354 -7.828 -2.005 1.00 75.14 H new ATOM 0 HG21 VAL A 59 4.598 -7.622 0.880 1.00 5.44 H new ATOM 0 HG22 VAL A 59 3.023 -8.395 0.584 1.00 5.44 H new ATOM 0 HG23 VAL A 59 4.319 -9.301 1.399 1.00 5.44 H new ATOM 1000 N LYS A 60 5.615 -12.096 -0.749 1.00 71.30 N ATOM 1001 CA LYS A 60 6.294 -13.229 -0.117 1.00 72.25 C ATOM 1002 C LYS A 60 7.040 -12.775 1.158 1.00 43.44 C ATOM 1003 O LYS A 60 6.910 -13.400 2.219 1.00 63.24 O ATOM 1004 CB LYS A 60 7.272 -13.868 -1.144 1.00 41.22 C ATOM 1005 CG LYS A 60 6.589 -14.376 -2.442 1.00 33.54 C ATOM 1006 CD LYS A 60 7.571 -14.726 -3.601 1.00 44.14 C ATOM 1007 CE LYS A 60 8.525 -15.906 -3.312 1.00 1.21 C ATOM 1008 NZ LYS A 60 9.649 -15.544 -2.401 1.00 53.15 N ATOM 0 H LYS A 60 6.104 -11.738 -1.570 1.00 71.30 H new ATOM 0 HA LYS A 60 5.559 -13.974 0.186 1.00 72.25 H new ATOM 0 HB2 LYS A 60 8.032 -13.134 -1.410 1.00 41.22 H new ATOM 0 HB3 LYS A 60 7.787 -14.702 -0.668 1.00 41.22 H new ATOM 0 HG2 LYS A 60 6.000 -15.261 -2.204 1.00 33.54 H new ATOM 0 HG3 LYS A 60 5.892 -13.614 -2.792 1.00 33.54 H new ATOM 0 HD2 LYS A 60 6.989 -14.958 -4.493 1.00 44.14 H new ATOM 0 HD3 LYS A 60 8.168 -13.843 -3.831 1.00 44.14 H new ATOM 0 HE2 LYS A 60 7.957 -16.724 -2.870 1.00 1.21 H new ATOM 0 HE3 LYS A 60 8.933 -16.274 -4.253 1.00 1.21 H new ATOM 0 HZ1 LYS A 60 10.524 -16.000 -2.731 1.00 53.15 H new ATOM 0 HZ2 LYS A 60 9.776 -14.512 -2.400 1.00 53.15 H new ATOM 0 HZ3 LYS A 60 9.432 -15.867 -1.437 1.00 53.15 H new ATOM 1022 N ASP A 61 7.784 -11.661 1.038 1.00 23.22 N ATOM 1023 CA ASP A 61 8.628 -11.112 2.128 1.00 20.44 C ATOM 1024 C ASP A 61 9.175 -9.735 1.711 1.00 32.31 C ATOM 1025 O ASP A 61 8.807 -9.226 0.645 1.00 5.23 O ATOM 1026 CB ASP A 61 9.792 -12.095 2.485 1.00 73.20 C ATOM 1027 CG ASP A 61 10.872 -12.191 1.392 1.00 3.32 C ATOM 1028 OD1 ASP A 61 10.538 -12.508 0.228 1.00 23.23 O ATOM 1029 OD2 ASP A 61 12.051 -11.940 1.693 1.00 64.31 O ATOM 0 H ASP A 61 7.821 -11.110 0.181 1.00 23.22 H new ATOM 0 HA ASP A 61 8.017 -10.993 3.023 1.00 20.44 H new ATOM 0 HB2 ASP A 61 10.257 -11.772 3.417 1.00 73.20 H new ATOM 0 HB3 ASP A 61 9.377 -13.087 2.663 1.00 73.20 H new ATOM 1034 N ASP A 62 10.049 -9.146 2.553 1.00 60.11 N ATOM 1035 CA ASP A 62 10.650 -7.810 2.310 1.00 42.10 C ATOM 1036 C ASP A 62 11.535 -7.768 1.052 1.00 44.10 C ATOM 1037 O ASP A 62 11.576 -6.738 0.361 1.00 3.21 O ATOM 1038 CB ASP A 62 11.461 -7.361 3.548 1.00 42.13 C ATOM 1039 CG ASP A 62 10.583 -7.208 4.804 1.00 54.43 C ATOM 1040 OD1 ASP A 62 9.950 -6.148 4.975 1.00 10.12 O ATOM 1041 OD2 ASP A 62 10.503 -8.155 5.612 1.00 45.40 O ATOM 0 H ASP A 62 10.361 -9.580 3.422 1.00 60.11 H new ATOM 0 HA ASP A 62 9.825 -7.119 2.136 1.00 42.10 H new ATOM 0 HB2 ASP A 62 12.249 -8.088 3.746 1.00 42.13 H new ATOM 0 HB3 ASP A 62 11.951 -6.411 3.333 1.00 42.13 H new ATOM 1046 N ASP A 63 12.247 -8.880 0.780 1.00 23.23 N ATOM 1047 CA ASP A 63 13.052 -9.025 -0.467 1.00 21.22 C ATOM 1048 C ASP A 63 12.134 -8.877 -1.686 1.00 74.13 C ATOM 1049 O ASP A 63 12.439 -8.131 -2.619 1.00 10.45 O ATOM 1050 CB ASP A 63 13.823 -10.376 -0.538 1.00 34.20 C ATOM 1051 CG ASP A 63 15.030 -10.452 0.411 1.00 4.23 C ATOM 1052 OD1 ASP A 63 15.880 -9.534 0.379 1.00 14.33 O ATOM 1053 OD2 ASP A 63 15.159 -11.438 1.174 1.00 3.22 O ATOM 0 H ASP A 63 12.286 -9.691 1.398 1.00 23.23 H new ATOM 0 HA ASP A 63 13.805 -8.237 -0.462 1.00 21.22 H new ATOM 0 HB2 ASP A 63 13.136 -11.189 -0.303 1.00 34.20 H new ATOM 0 HB3 ASP A 63 14.166 -10.535 -1.560 1.00 34.20 H new ATOM 1058 N ASP A 64 10.969 -9.539 -1.608 1.00 31.15 N ATOM 1059 CA ASP A 64 9.956 -9.525 -2.675 1.00 60.32 C ATOM 1060 C ASP A 64 9.331 -8.121 -2.837 1.00 71.13 C ATOM 1061 O ASP A 64 8.997 -7.728 -3.951 1.00 21.20 O ATOM 1062 CB ASP A 64 8.861 -10.573 -2.365 1.00 21.01 C ATOM 1063 CG ASP A 64 7.830 -10.740 -3.490 1.00 22.52 C ATOM 1064 OD1 ASP A 64 8.191 -11.273 -4.559 1.00 72.41 O ATOM 1065 OD2 ASP A 64 6.658 -10.357 -3.306 1.00 32.21 O ATOM 0 H ASP A 64 10.702 -10.101 -0.800 1.00 31.15 H new ATOM 0 HA ASP A 64 10.442 -9.779 -3.617 1.00 60.32 H new ATOM 0 HB2 ASP A 64 9.336 -11.535 -2.173 1.00 21.01 H new ATOM 0 HB3 ASP A 64 8.344 -10.285 -1.450 1.00 21.01 H new ATOM 1070 N ILE A 65 9.203 -7.390 -1.707 1.00 43.14 N ATOM 1071 CA ILE A 65 8.623 -6.025 -1.666 1.00 53.10 C ATOM 1072 C ILE A 65 9.491 -5.022 -2.457 1.00 14.41 C ATOM 1073 O ILE A 65 8.968 -4.294 -3.300 1.00 3.45 O ATOM 1074 CB ILE A 65 8.407 -5.522 -0.182 1.00 31.32 C ATOM 1075 CG1 ILE A 65 7.319 -6.392 0.531 1.00 64.23 C ATOM 1076 CG2 ILE A 65 8.031 -4.014 -0.122 1.00 41.25 C ATOM 1077 CD1 ILE A 65 7.097 -6.070 1.993 1.00 2.41 C ATOM 0 H ILE A 65 9.500 -7.730 -0.792 1.00 43.14 H new ATOM 0 HA ILE A 65 7.645 -6.082 -2.143 1.00 53.10 H new ATOM 0 HB ILE A 65 9.355 -5.635 0.344 1.00 31.32 H new ATOM 0 HG12 ILE A 65 6.374 -6.271 0.001 1.00 64.23 H new ATOM 0 HG13 ILE A 65 7.601 -7.441 0.445 1.00 64.23 H new ATOM 0 HG21 ILE A 65 7.893 -3.715 0.917 1.00 41.25 H new ATOM 0 HG22 ILE A 65 8.830 -3.422 -0.567 1.00 41.25 H new ATOM 0 HG23 ILE A 65 7.106 -3.847 -0.674 1.00 41.25 H new ATOM 0 HD11 ILE A 65 6.325 -6.726 2.397 1.00 2.41 H new ATOM 0 HD12 ILE A 65 8.026 -6.220 2.544 1.00 2.41 H new ATOM 0 HD13 ILE A 65 6.780 -5.032 2.093 1.00 2.41 H new ATOM 1089 N ASP A 66 10.813 -4.987 -2.191 1.00 5.13 N ATOM 1090 CA ASP A 66 11.741 -4.095 -2.932 1.00 44.23 C ATOM 1091 C ASP A 66 11.742 -4.404 -4.436 1.00 54.43 C ATOM 1092 O ASP A 66 11.807 -3.490 -5.266 1.00 15.02 O ATOM 1093 CB ASP A 66 13.182 -4.163 -2.359 1.00 73.41 C ATOM 1094 CG ASP A 66 13.341 -3.288 -1.109 1.00 53.31 C ATOM 1095 OD1 ASP A 66 13.411 -2.044 -1.250 1.00 75.35 O ATOM 1096 OD2 ASP A 66 13.354 -3.823 0.017 1.00 13.33 O ATOM 0 H ASP A 66 11.263 -5.559 -1.476 1.00 5.13 H new ATOM 0 HA ASP A 66 11.375 -3.077 -2.798 1.00 44.23 H new ATOM 0 HB2 ASP A 66 13.427 -5.196 -2.113 1.00 73.41 H new ATOM 0 HB3 ASP A 66 13.892 -3.840 -3.121 1.00 73.41 H new ATOM 1101 N LYS A 67 11.642 -5.697 -4.769 1.00 51.22 N ATOM 1102 CA LYS A 67 11.548 -6.174 -6.163 1.00 51.05 C ATOM 1103 C LYS A 67 10.183 -5.804 -6.784 1.00 23.33 C ATOM 1104 O LYS A 67 10.085 -5.565 -7.998 1.00 55.32 O ATOM 1105 CB LYS A 67 11.767 -7.708 -6.183 1.00 44.32 C ATOM 1106 CG LYS A 67 13.182 -8.150 -5.734 1.00 21.34 C ATOM 1107 CD LYS A 67 13.258 -9.657 -5.398 1.00 35.32 C ATOM 1108 CE LYS A 67 12.824 -10.562 -6.554 1.00 71.51 C ATOM 1109 NZ LYS A 67 13.688 -10.410 -7.755 1.00 24.40 N ATOM 0 H LYS A 67 11.624 -6.448 -4.079 1.00 51.22 H new ATOM 0 HA LYS A 67 12.318 -5.689 -6.763 1.00 51.05 H new ATOM 0 HB2 LYS A 67 11.028 -8.178 -5.534 1.00 44.32 H new ATOM 0 HB3 LYS A 67 11.586 -8.077 -7.192 1.00 44.32 H new ATOM 0 HG2 LYS A 67 13.897 -7.922 -6.524 1.00 21.34 H new ATOM 0 HG3 LYS A 67 13.478 -7.571 -4.859 1.00 21.34 H new ATOM 0 HD2 LYS A 67 14.280 -9.907 -5.115 1.00 35.32 H new ATOM 0 HD3 LYS A 67 12.629 -9.860 -4.532 1.00 35.32 H new ATOM 0 HE2 LYS A 67 12.845 -11.601 -6.225 1.00 71.51 H new ATOM 0 HE3 LYS A 67 11.792 -10.334 -6.822 1.00 71.51 H new ATOM 0 HZ1 LYS A 67 13.351 -11.044 -8.507 1.00 24.40 H new ATOM 0 HZ2 LYS A 67 13.649 -9.426 -8.088 1.00 24.40 H new ATOM 0 HZ3 LYS A 67 14.669 -10.654 -7.510 1.00 24.40 H new ATOM 1123 N TRP A 68 9.145 -5.753 -5.930 1.00 50.11 N ATOM 1124 CA TRP A 68 7.764 -5.439 -6.334 1.00 44.30 C ATOM 1125 C TRP A 68 7.657 -3.967 -6.767 1.00 72.41 C ATOM 1126 O TRP A 68 7.132 -3.677 -7.833 1.00 21.12 O ATOM 1127 CB TRP A 68 6.768 -5.744 -5.172 1.00 64.53 C ATOM 1128 CG TRP A 68 5.328 -5.895 -5.617 1.00 73.35 C ATOM 1129 CD1 TRP A 68 4.707 -7.061 -5.967 1.00 75.22 C ATOM 1130 CD2 TRP A 68 4.337 -4.858 -5.762 1.00 23.10 C ATOM 1131 NE1 TRP A 68 3.412 -6.815 -6.341 1.00 75.42 N ATOM 1132 CE2 TRP A 68 3.154 -5.479 -6.213 1.00 21.15 C ATOM 1133 CE3 TRP A 68 4.324 -3.474 -5.542 1.00 32.30 C ATOM 1134 CZ2 TRP A 68 1.989 -4.763 -6.470 1.00 73.44 C ATOM 1135 CZ3 TRP A 68 3.163 -2.768 -5.791 1.00 40.33 C ATOM 1136 CH2 TRP A 68 2.007 -3.414 -6.244 1.00 23.24 C ATOM 0 H TRP A 68 9.243 -5.930 -4.930 1.00 50.11 H new ATOM 0 HA TRP A 68 7.499 -6.070 -7.183 1.00 44.30 H new ATOM 0 HB2 TRP A 68 7.080 -6.660 -4.671 1.00 64.53 H new ATOM 0 HB3 TRP A 68 6.828 -4.942 -4.436 1.00 64.53 H new ATOM 0 HD1 TRP A 68 5.170 -8.036 -5.951 1.00 75.22 H new ATOM 0 HE1 TRP A 68 2.746 -7.517 -6.664 1.00 75.42 H new ATOM 0 HE3 TRP A 68 5.208 -2.967 -5.183 1.00 32.30 H new ATOM 0 HZ2 TRP A 68 1.100 -5.256 -6.836 1.00 73.44 H new ATOM 0 HZ3 TRP A 68 3.147 -1.700 -5.633 1.00 40.33 H new ATOM 0 HH2 TRP A 68 1.112 -2.836 -6.419 1.00 23.24 H new ATOM 1147 N ILE A 69 8.182 -3.045 -5.936 1.00 11.45 N ATOM 1148 CA ILE A 69 8.123 -1.584 -6.209 1.00 32.45 C ATOM 1149 C ILE A 69 9.093 -1.208 -7.351 1.00 61.42 C ATOM 1150 O ILE A 69 8.823 -0.283 -8.132 1.00 31.25 O ATOM 1151 CB ILE A 69 8.410 -0.725 -4.898 1.00 23.33 C ATOM 1152 CG1 ILE A 69 7.171 -0.720 -3.942 1.00 3.01 C ATOM 1153 CG2 ILE A 69 8.838 0.737 -5.206 1.00 45.34 C ATOM 1154 CD1 ILE A 69 6.881 -2.029 -3.238 1.00 60.54 C ATOM 0 H ILE A 69 8.655 -3.282 -5.064 1.00 11.45 H new ATOM 0 HA ILE A 69 7.109 -1.345 -6.529 1.00 32.45 H new ATOM 0 HB ILE A 69 9.250 -1.213 -4.404 1.00 23.33 H new ATOM 0 HG12 ILE A 69 7.320 0.052 -3.187 1.00 3.01 H new ATOM 0 HG13 ILE A 69 6.291 -0.436 -4.519 1.00 3.01 H new ATOM 0 HG21 ILE A 69 9.018 1.268 -4.271 1.00 45.34 H new ATOM 0 HG22 ILE A 69 9.751 0.731 -5.802 1.00 45.34 H new ATOM 0 HG23 ILE A 69 8.046 1.239 -5.761 1.00 45.34 H new ATOM 0 HD11 ILE A 69 6.003 -1.913 -2.602 1.00 60.54 H new ATOM 0 HD12 ILE A 69 6.693 -2.806 -3.978 1.00 60.54 H new ATOM 0 HD13 ILE A 69 7.738 -2.311 -2.626 1.00 60.54 H new ATOM 1166 N ASP A 70 10.209 -1.967 -7.438 1.00 53.43 N ATOM 1167 CA ASP A 70 11.260 -1.798 -8.468 1.00 13.22 C ATOM 1168 C ASP A 70 10.660 -1.736 -9.885 1.00 21.04 C ATOM 1169 O ASP A 70 10.989 -0.837 -10.681 1.00 54.12 O ATOM 1170 CB ASP A 70 12.263 -2.976 -8.375 1.00 20.13 C ATOM 1171 CG ASP A 70 13.458 -2.840 -9.325 1.00 63.10 C ATOM 1172 OD1 ASP A 70 14.454 -2.182 -8.954 1.00 14.10 O ATOM 1173 OD2 ASP A 70 13.408 -3.384 -10.453 1.00 24.53 O ATOM 0 H ASP A 70 10.408 -2.725 -6.785 1.00 53.43 H new ATOM 0 HA ASP A 70 11.772 -0.854 -8.281 1.00 13.22 H new ATOM 0 HB2 ASP A 70 12.630 -3.050 -7.351 1.00 20.13 H new ATOM 0 HB3 ASP A 70 11.739 -3.906 -8.594 1.00 20.13 H new ATOM 1178 N LYS A 71 9.750 -2.686 -10.169 1.00 21.14 N ATOM 1179 CA LYS A 71 9.099 -2.791 -11.483 1.00 71.41 C ATOM 1180 C LYS A 71 7.978 -1.753 -11.647 1.00 11.12 C ATOM 1181 O LYS A 71 7.752 -1.303 -12.758 1.00 53.02 O ATOM 1182 CB LYS A 71 8.555 -4.224 -11.733 1.00 61.11 C ATOM 1183 CG LYS A 71 7.518 -4.724 -10.708 1.00 72.11 C ATOM 1184 CD LYS A 71 6.976 -6.134 -11.034 1.00 71.54 C ATOM 1185 CE LYS A 71 6.161 -6.165 -12.336 1.00 70.02 C ATOM 1186 NZ LYS A 71 4.902 -5.379 -12.223 1.00 31.32 N ATOM 0 H LYS A 71 9.449 -3.395 -9.500 1.00 21.14 H new ATOM 0 HA LYS A 71 9.862 -2.581 -12.233 1.00 71.41 H new ATOM 0 HB2 LYS A 71 8.105 -4.256 -12.725 1.00 61.11 H new ATOM 0 HB3 LYS A 71 9.396 -4.917 -11.742 1.00 61.11 H new ATOM 0 HG2 LYS A 71 7.972 -4.736 -9.717 1.00 72.11 H new ATOM 0 HG3 LYS A 71 6.686 -4.021 -10.669 1.00 72.11 H new ATOM 0 HD2 LYS A 71 7.810 -6.831 -11.115 1.00 71.54 H new ATOM 0 HD3 LYS A 71 6.351 -6.479 -10.210 1.00 71.54 H new ATOM 0 HE2 LYS A 71 6.765 -5.767 -13.152 1.00 70.02 H new ATOM 0 HE3 LYS A 71 5.922 -7.198 -12.590 1.00 70.02 H new ATOM 0 HZ1 LYS A 71 4.326 -5.521 -13.077 1.00 31.32 H new ATOM 0 HZ2 LYS A 71 4.368 -5.696 -11.389 1.00 31.32 H new ATOM 0 HZ3 LYS A 71 5.131 -4.369 -12.124 1.00 31.32 H new ATOM 1200 N ILE A 72 7.306 -1.369 -10.543 1.00 21.12 N ATOM 1201 CA ILE A 72 6.180 -0.395 -10.572 1.00 13.03 C ATOM 1202 C ILE A 72 6.661 0.982 -11.082 1.00 71.12 C ATOM 1203 O ILE A 72 5.996 1.633 -11.906 1.00 64.02 O ATOM 1204 CB ILE A 72 5.513 -0.248 -9.150 1.00 24.11 C ATOM 1205 CG1 ILE A 72 4.948 -1.609 -8.651 1.00 42.25 C ATOM 1206 CG2 ILE A 72 4.405 0.820 -9.141 1.00 2.15 C ATOM 1207 CD1 ILE A 72 3.811 -2.202 -9.480 1.00 22.11 C ATOM 0 H ILE A 72 7.521 -1.719 -9.609 1.00 21.12 H new ATOM 0 HA ILE A 72 5.428 -0.780 -11.261 1.00 13.03 H new ATOM 0 HB ILE A 72 6.298 0.078 -8.467 1.00 24.11 H new ATOM 0 HG12 ILE A 72 5.765 -2.330 -8.621 1.00 42.25 H new ATOM 0 HG13 ILE A 72 4.597 -1.481 -7.627 1.00 42.25 H new ATOM 0 HG21 ILE A 72 3.973 0.888 -8.142 1.00 2.15 H new ATOM 0 HG22 ILE A 72 4.828 1.785 -9.420 1.00 2.15 H new ATOM 0 HG23 ILE A 72 3.628 0.544 -9.854 1.00 2.15 H new ATOM 0 HD11 ILE A 72 3.496 -3.149 -9.041 1.00 22.11 H new ATOM 0 HD12 ILE A 72 2.969 -1.509 -9.491 1.00 22.11 H new ATOM 0 HD13 ILE A 72 4.155 -2.372 -10.500 1.00 22.11 H new ATOM 1219 N LYS A 73 7.842 1.390 -10.593 1.00 4.14 N ATOM 1220 CA LYS A 73 8.493 2.655 -10.984 1.00 2.22 C ATOM 1221 C LYS A 73 8.939 2.617 -12.460 1.00 34.45 C ATOM 1222 O LYS A 73 9.028 3.657 -13.121 1.00 53.24 O ATOM 1223 CB LYS A 73 9.721 2.912 -10.079 1.00 53.04 C ATOM 1224 CG LYS A 73 9.402 2.972 -8.571 1.00 1.33 C ATOM 1225 CD LYS A 73 10.616 3.391 -7.721 1.00 72.14 C ATOM 1226 CE LYS A 73 11.783 2.395 -7.806 1.00 32.43 C ATOM 1227 NZ LYS A 73 12.976 2.894 -7.068 1.00 42.13 N ATOM 0 H LYS A 73 8.377 0.851 -9.912 1.00 4.14 H new ATOM 0 HA LYS A 73 7.770 3.462 -10.864 1.00 2.22 H new ATOM 0 HB2 LYS A 73 10.455 2.125 -10.251 1.00 53.04 H new ATOM 0 HB3 LYS A 73 10.186 3.852 -10.377 1.00 53.04 H new ATOM 0 HG2 LYS A 73 8.587 3.676 -8.404 1.00 1.33 H new ATOM 0 HG3 LYS A 73 9.052 1.995 -8.239 1.00 1.33 H new ATOM 0 HD2 LYS A 73 10.959 4.373 -8.047 1.00 72.14 H new ATOM 0 HD3 LYS A 73 10.307 3.491 -6.681 1.00 72.14 H new ATOM 0 HE2 LYS A 73 11.474 1.434 -7.395 1.00 32.43 H new ATOM 0 HE3 LYS A 73 12.044 2.226 -8.851 1.00 32.43 H new ATOM 0 HZ1 LYS A 73 13.747 2.200 -7.144 1.00 42.13 H new ATOM 0 HZ2 LYS A 73 13.284 3.799 -7.477 1.00 42.13 H new ATOM 0 HZ3 LYS A 73 12.732 3.032 -6.067 1.00 42.13 H new ATOM 1241 N LYS A 74 9.232 1.400 -12.951 1.00 2.02 N ATOM 1242 CA LYS A 74 9.703 1.164 -14.325 1.00 24.13 C ATOM 1243 C LYS A 74 8.525 1.220 -15.319 1.00 24.04 C ATOM 1244 O LYS A 74 8.631 1.834 -16.387 1.00 0.13 O ATOM 1245 CB LYS A 74 10.426 -0.208 -14.387 1.00 44.13 C ATOM 1246 CG LYS A 74 11.042 -0.560 -15.759 1.00 72.02 C ATOM 1247 CD LYS A 74 11.890 -1.854 -15.711 1.00 44.23 C ATOM 1248 CE LYS A 74 13.072 -1.755 -14.724 1.00 71.02 C ATOM 1249 NZ LYS A 74 13.886 -3.001 -14.693 1.00 24.03 N ATOM 0 H LYS A 74 9.147 0.546 -12.400 1.00 2.02 H new ATOM 0 HA LYS A 74 10.407 1.947 -14.609 1.00 24.13 H new ATOM 0 HB2 LYS A 74 11.217 -0.219 -13.637 1.00 44.13 H new ATOM 0 HB3 LYS A 74 9.716 -0.989 -14.113 1.00 44.13 H new ATOM 0 HG2 LYS A 74 10.245 -0.679 -16.493 1.00 72.02 H new ATOM 0 HG3 LYS A 74 11.666 0.267 -16.097 1.00 72.02 H new ATOM 0 HD2 LYS A 74 11.253 -2.691 -15.425 1.00 44.23 H new ATOM 0 HD3 LYS A 74 12.272 -2.070 -16.709 1.00 44.23 H new ATOM 0 HE2 LYS A 74 13.708 -0.915 -15.004 1.00 71.02 H new ATOM 0 HE3 LYS A 74 12.691 -1.547 -13.724 1.00 71.02 H new ATOM 0 HZ1 LYS A 74 14.668 -2.888 -14.017 1.00 24.03 H new ATOM 0 HZ2 LYS A 74 13.287 -3.799 -14.400 1.00 24.03 H new ATOM 0 HZ3 LYS A 74 14.272 -3.187 -15.641 1.00 24.03 H new ATOM 1263 N GLU A 75 7.402 0.589 -14.929 1.00 14.44 N ATOM 1264 CA GLU A 75 6.160 0.537 -15.729 1.00 41.12 C ATOM 1265 C GLU A 75 5.557 1.942 -15.875 1.00 24.33 C ATOM 1266 O GLU A 75 5.090 2.320 -16.955 1.00 45.14 O ATOM 1267 CB GLU A 75 5.140 -0.426 -15.056 1.00 0.32 C ATOM 1268 CG GLU A 75 5.627 -1.885 -14.960 1.00 34.04 C ATOM 1269 CD GLU A 75 4.749 -2.758 -14.049 1.00 21.42 C ATOM 1270 OE1 GLU A 75 4.718 -2.519 -12.825 1.00 62.14 O ATOM 1271 OE2 GLU A 75 4.103 -3.710 -14.544 1.00 41.53 O ATOM 0 H GLU A 75 7.329 0.095 -14.040 1.00 14.44 H new ATOM 0 HA GLU A 75 6.396 0.162 -16.725 1.00 41.12 H new ATOM 0 HB2 GLU A 75 4.918 -0.061 -14.053 1.00 0.32 H new ATOM 0 HB3 GLU A 75 4.207 -0.401 -15.618 1.00 0.32 H new ATOM 0 HG2 GLU A 75 5.648 -2.321 -15.959 1.00 34.04 H new ATOM 0 HG3 GLU A 75 6.651 -1.896 -14.586 1.00 34.04 H new ATOM 1278 N ARG A 76 5.595 2.708 -14.772 1.00 22.42 N ATOM 1279 CA ARG A 76 5.042 4.073 -14.700 1.00 54.10 C ATOM 1280 C ARG A 76 6.147 5.059 -14.245 1.00 21.34 C ATOM 1281 O ARG A 76 6.252 5.374 -13.052 1.00 44.14 O ATOM 1282 CB ARG A 76 3.843 4.102 -13.718 1.00 42.52 C ATOM 1283 CG ARG A 76 2.762 3.029 -13.953 1.00 12.04 C ATOM 1284 CD ARG A 76 1.614 3.141 -12.942 1.00 22.50 C ATOM 1285 NE ARG A 76 0.574 2.138 -13.194 1.00 15.34 N ATOM 1286 CZ ARG A 76 -0.739 2.320 -13.048 1.00 32.32 C ATOM 1287 NH1 ARG A 76 -1.228 3.500 -12.652 1.00 15.35 N ATOM 1288 NH2 ARG A 76 -1.565 1.310 -13.274 1.00 52.55 N ATOM 0 H ARG A 76 6.014 2.395 -13.896 1.00 22.42 H new ATOM 0 HA ARG A 76 4.689 4.377 -15.686 1.00 54.10 H new ATOM 0 HB2 ARG A 76 4.225 3.991 -12.703 1.00 42.52 H new ATOM 0 HB3 ARG A 76 3.373 5.084 -13.776 1.00 42.52 H new ATOM 0 HG2 ARG A 76 2.366 3.128 -14.964 1.00 12.04 H new ATOM 0 HG3 ARG A 76 3.212 2.039 -13.883 1.00 12.04 H new ATOM 0 HD2 ARG A 76 2.004 3.016 -11.932 1.00 22.50 H new ATOM 0 HD3 ARG A 76 1.178 4.139 -12.994 1.00 22.50 H new ATOM 0 HE ARG A 76 0.883 1.218 -13.509 1.00 15.34 H new ATOM 0 HH11 ARG A 76 -0.594 4.275 -12.457 1.00 15.35 H new ATOM 0 HH12 ARG A 76 -2.235 3.625 -12.545 1.00 15.35 H new ATOM 0 HH21 ARG A 76 -1.195 0.402 -13.557 1.00 52.55 H new ATOM 0 HH22 ARG A 76 -2.571 1.440 -13.165 1.00 52.55 H new ATOM 1302 N PRO A 77 7.020 5.547 -15.183 1.00 74.53 N ATOM 1303 CA PRO A 77 8.179 6.398 -14.837 1.00 51.12 C ATOM 1304 C PRO A 77 7.815 7.882 -14.613 1.00 61.41 C ATOM 1305 O PRO A 77 8.627 8.632 -14.074 1.00 53.42 O ATOM 1306 CB PRO A 77 9.131 6.221 -16.063 1.00 23.23 C ATOM 1307 CG PRO A 77 8.449 5.240 -16.982 1.00 24.31 C ATOM 1308 CD PRO A 77 6.978 5.302 -16.642 1.00 32.31 C ATOM 0 HA PRO A 77 8.625 6.102 -13.887 1.00 51.12 H new ATOM 0 HB2 PRO A 77 9.301 7.173 -16.566 1.00 23.23 H new ATOM 0 HB3 PRO A 77 10.106 5.848 -15.749 1.00 23.23 H new ATOM 0 HG2 PRO A 77 8.619 5.501 -18.026 1.00 24.31 H new ATOM 0 HG3 PRO A 77 8.841 4.233 -16.837 1.00 24.31 H new ATOM 0 HD2 PRO A 77 6.467 6.102 -17.177 1.00 32.31 H new ATOM 0 HD3 PRO A 77 6.461 4.374 -16.887 1.00 32.31 H new ATOM 1316 N GLN A 78 6.603 8.299 -15.040 1.00 21.12 N ATOM 1317 CA GLN A 78 6.174 9.718 -14.972 1.00 23.23 C ATOM 1318 C GLN A 78 5.472 10.045 -13.636 1.00 71.51 C ATOM 1319 O GLN A 78 5.148 11.209 -13.372 1.00 54.01 O ATOM 1320 CB GLN A 78 5.268 10.068 -16.183 1.00 72.22 C ATOM 1321 CG GLN A 78 5.880 9.720 -17.561 1.00 75.42 C ATOM 1322 CD GLN A 78 7.249 10.362 -17.857 1.00 43.14 C ATOM 1323 OE1 GLN A 78 8.083 9.762 -18.528 1.00 43.14 O ATOM 1324 NE2 GLN A 78 7.479 11.588 -17.411 1.00 42.41 N ATOM 0 H GLN A 78 5.902 7.674 -15.437 1.00 21.12 H new ATOM 0 HA GLN A 78 7.069 10.338 -15.019 1.00 23.23 H new ATOM 0 HB2 GLN A 78 4.320 9.541 -16.076 1.00 72.22 H new ATOM 0 HB3 GLN A 78 5.044 11.134 -16.157 1.00 72.22 H new ATOM 0 HG2 GLN A 78 5.983 8.637 -17.631 1.00 75.42 H new ATOM 0 HG3 GLN A 78 5.179 10.025 -18.338 1.00 75.42 H new ATOM 0 HE21 GLN A 78 6.772 12.069 -16.855 1.00 42.41 H new ATOM 0 HE22 GLN A 78 8.363 12.051 -17.624 1.00 42.41 H new ATOM 1333 N LEU A 79 5.246 9.015 -12.800 1.00 21.11 N ATOM 1334 CA LEU A 79 4.749 9.184 -11.422 1.00 53.44 C ATOM 1335 C LEU A 79 5.739 8.521 -10.454 1.00 31.44 C ATOM 1336 O LEU A 79 6.432 7.569 -10.836 1.00 12.31 O ATOM 1337 CB LEU A 79 3.285 8.634 -11.282 1.00 51.21 C ATOM 1338 CG LEU A 79 2.992 7.166 -11.768 1.00 31.01 C ATOM 1339 CD1 LEU A 79 3.549 6.099 -10.799 1.00 20.41 C ATOM 1340 CD2 LEU A 79 1.475 6.945 -12.018 1.00 24.42 C ATOM 0 H LEU A 79 5.403 8.042 -13.061 1.00 21.11 H new ATOM 0 HA LEU A 79 4.691 10.242 -11.168 1.00 53.44 H new ATOM 0 HB2 LEU A 79 3.004 8.699 -10.231 1.00 51.21 H new ATOM 0 HB3 LEU A 79 2.624 9.305 -11.831 1.00 51.21 H new ATOM 0 HG LEU A 79 3.518 7.044 -12.715 1.00 31.01 H new ATOM 0 HD11 LEU A 79 3.319 5.105 -11.182 1.00 20.41 H new ATOM 0 HD12 LEU A 79 4.629 6.214 -10.713 1.00 20.41 H new ATOM 0 HD13 LEU A 79 3.092 6.225 -9.818 1.00 20.41 H new ATOM 0 HD21 LEU A 79 1.307 5.921 -12.353 1.00 24.42 H new ATOM 0 HD22 LEU A 79 0.925 7.120 -11.094 1.00 24.42 H new ATOM 0 HD23 LEU A 79 1.128 7.639 -12.784 1.00 24.42 H new ATOM 1352 N GLU A 80 5.829 9.035 -9.218 1.00 41.53 N ATOM 1353 CA GLU A 80 6.746 8.497 -8.185 1.00 12.31 C ATOM 1354 C GLU A 80 6.004 7.570 -7.204 1.00 75.14 C ATOM 1355 O GLU A 80 4.786 7.665 -7.046 1.00 72.15 O ATOM 1356 CB GLU A 80 7.474 9.650 -7.443 1.00 34.23 C ATOM 1357 CG GLU A 80 6.552 10.755 -6.895 1.00 52.41 C ATOM 1358 CD GLU A 80 7.319 11.885 -6.192 1.00 32.10 C ATOM 1359 OE1 GLU A 80 7.995 12.672 -6.896 1.00 61.05 O ATOM 1360 OE2 GLU A 80 7.249 11.996 -4.946 1.00 15.43 O ATOM 0 H GLU A 80 5.275 9.830 -8.901 1.00 41.53 H new ATOM 0 HA GLU A 80 7.503 7.893 -8.686 1.00 12.31 H new ATOM 0 HB2 GLU A 80 8.042 9.227 -6.614 1.00 34.23 H new ATOM 0 HB3 GLU A 80 8.194 10.103 -8.124 1.00 34.23 H new ATOM 0 HG2 GLU A 80 5.970 11.175 -7.716 1.00 52.41 H new ATOM 0 HG3 GLU A 80 5.843 10.314 -6.194 1.00 52.41 H new ATOM 1367 N VAL A 81 6.766 6.662 -6.573 1.00 2.43 N ATOM 1368 CA VAL A 81 6.241 5.625 -5.660 1.00 71.31 C ATOM 1369 C VAL A 81 6.918 5.752 -4.283 1.00 32.54 C ATOM 1370 O VAL A 81 8.137 5.954 -4.205 1.00 71.44 O ATOM 1371 CB VAL A 81 6.488 4.172 -6.235 1.00 2.51 C ATOM 1372 CG1 VAL A 81 5.857 3.085 -5.330 1.00 62.41 C ATOM 1373 CG2 VAL A 81 5.984 4.045 -7.697 1.00 22.20 C ATOM 0 H VAL A 81 7.779 6.624 -6.682 1.00 2.43 H new ATOM 0 HA VAL A 81 5.166 5.777 -5.562 1.00 71.31 H new ATOM 0 HB VAL A 81 7.566 4.009 -6.242 1.00 2.51 H new ATOM 0 HG11 VAL A 81 6.047 2.100 -5.757 1.00 62.41 H new ATOM 0 HG12 VAL A 81 6.297 3.140 -4.334 1.00 62.41 H new ATOM 0 HG13 VAL A 81 4.782 3.249 -5.261 1.00 62.41 H new ATOM 0 HG21 VAL A 81 6.170 3.034 -8.059 1.00 22.20 H new ATOM 0 HG22 VAL A 81 4.914 4.252 -7.732 1.00 22.20 H new ATOM 0 HG23 VAL A 81 6.513 4.759 -8.328 1.00 22.20 H new ATOM 1383 N ARG A 82 6.119 5.637 -3.206 1.00 44.12 N ATOM 1384 CA ARG A 82 6.615 5.697 -1.820 1.00 71.23 C ATOM 1385 C ARG A 82 6.125 4.460 -1.030 1.00 42.13 C ATOM 1386 O ARG A 82 4.911 4.247 -0.910 1.00 23.14 O ATOM 1387 CB ARG A 82 6.117 7.016 -1.160 1.00 10.22 C ATOM 1388 CG ARG A 82 6.632 7.275 0.279 1.00 12.34 C ATOM 1389 CD ARG A 82 8.162 7.450 0.349 1.00 41.22 C ATOM 1390 NE ARG A 82 8.634 7.815 1.700 1.00 63.14 N ATOM 1391 CZ ARG A 82 8.884 9.061 2.128 1.00 65.24 C ATOM 1392 NH1 ARG A 82 8.692 10.104 1.334 1.00 45.21 N ATOM 1393 NH2 ARG A 82 9.335 9.252 3.347 1.00 44.31 N ATOM 0 H ARG A 82 5.111 5.500 -3.273 1.00 44.12 H new ATOM 0 HA ARG A 82 7.705 5.689 -1.813 1.00 71.23 H new ATOM 0 HB2 ARG A 82 6.416 7.853 -1.791 1.00 10.22 H new ATOM 0 HB3 ARG A 82 5.027 7.004 -1.141 1.00 10.22 H new ATOM 0 HG2 ARG A 82 6.151 8.169 0.676 1.00 12.34 H new ATOM 0 HG3 ARG A 82 6.337 6.444 0.920 1.00 12.34 H new ATOM 0 HD2 ARG A 82 8.644 6.523 0.039 1.00 41.22 H new ATOM 0 HD3 ARG A 82 8.468 8.221 -0.359 1.00 41.22 H new ATOM 0 HE ARG A 82 8.782 7.055 2.364 1.00 63.14 H new ATOM 0 HH11 ARG A 82 8.350 9.965 0.383 1.00 45.21 H new ATOM 0 HH12 ARG A 82 8.887 11.046 1.673 1.00 45.21 H new ATOM 0 HH21 ARG A 82 9.493 8.455 3.963 1.00 44.31 H new ATOM 0 HH22 ARG A 82 9.527 10.198 3.677 1.00 44.31 H new ATOM 1407 N LYS A 83 7.079 3.642 -0.527 1.00 21.21 N ATOM 1408 CA LYS A 83 6.776 2.493 0.359 1.00 62.14 C ATOM 1409 C LYS A 83 6.432 2.979 1.779 1.00 51.34 C ATOM 1410 O LYS A 83 7.096 3.873 2.311 1.00 33.41 O ATOM 1411 CB LYS A 83 7.969 1.504 0.446 1.00 74.13 C ATOM 1412 CG LYS A 83 8.451 0.914 -0.898 1.00 43.23 C ATOM 1413 CD LYS A 83 9.352 -0.337 -0.703 1.00 22.14 C ATOM 1414 CE LYS A 83 10.573 -0.065 0.194 1.00 5.21 C ATOM 1415 NZ LYS A 83 11.295 -1.313 0.554 1.00 14.41 N ATOM 0 H LYS A 83 8.073 3.758 -0.722 1.00 21.21 H new ATOM 0 HA LYS A 83 5.921 1.975 -0.075 1.00 62.14 H new ATOM 0 HB2 LYS A 83 8.807 2.016 0.918 1.00 74.13 H new ATOM 0 HB3 LYS A 83 7.687 0.681 1.103 1.00 74.13 H new ATOM 0 HG2 LYS A 83 7.587 0.645 -1.505 1.00 43.23 H new ATOM 0 HG3 LYS A 83 9.004 1.675 -1.449 1.00 43.23 H new ATOM 0 HD2 LYS A 83 8.759 -1.140 -0.266 1.00 22.14 H new ATOM 0 HD3 LYS A 83 9.694 -0.687 -1.677 1.00 22.14 H new ATOM 0 HE2 LYS A 83 11.255 0.612 -0.320 1.00 5.21 H new ATOM 0 HE3 LYS A 83 10.248 0.440 1.104 1.00 5.21 H new ATOM 0 HZ1 LYS A 83 11.492 -1.318 1.575 1.00 14.41 H new ATOM 0 HZ2 LYS A 83 10.708 -2.136 0.310 1.00 14.41 H new ATOM 0 HZ3 LYS A 83 12.191 -1.359 0.029 1.00 14.41 H new ATOM 1429 N VAL A 84 5.381 2.403 2.371 1.00 0.21 N ATOM 1430 CA VAL A 84 4.897 2.751 3.717 1.00 25.42 C ATOM 1431 C VAL A 84 4.922 1.519 4.650 1.00 30.11 C ATOM 1432 O VAL A 84 4.006 0.708 4.652 1.00 0.33 O ATOM 1433 CB VAL A 84 3.446 3.344 3.587 1.00 22.52 C ATOM 1434 CG1 VAL A 84 2.754 3.534 4.946 1.00 3.41 C ATOM 1435 CG2 VAL A 84 3.469 4.658 2.769 1.00 42.42 C ATOM 0 H VAL A 84 4.831 1.669 1.924 1.00 0.21 H new ATOM 0 HA VAL A 84 5.554 3.497 4.164 1.00 25.42 H new ATOM 0 HB VAL A 84 2.846 2.611 3.047 1.00 22.52 H new ATOM 0 HG11 VAL A 84 1.757 3.946 4.792 1.00 3.41 H new ATOM 0 HG12 VAL A 84 2.675 2.572 5.452 1.00 3.41 H new ATOM 0 HG13 VAL A 84 3.339 4.219 5.559 1.00 3.41 H new ATOM 0 HG21 VAL A 84 2.457 5.054 2.689 1.00 42.42 H new ATOM 0 HG22 VAL A 84 4.106 5.387 3.270 1.00 42.42 H new ATOM 0 HG23 VAL A 84 3.861 4.459 1.771 1.00 42.42 H new ATOM 1445 N THR A 85 5.990 1.383 5.429 1.00 22.34 N ATOM 1446 CA THR A 85 6.155 0.275 6.379 1.00 20.02 C ATOM 1447 C THR A 85 5.389 0.542 7.698 1.00 11.35 C ATOM 1448 O THR A 85 4.916 -0.397 8.352 1.00 71.10 O ATOM 1449 CB THR A 85 7.669 0.049 6.667 1.00 72.33 C ATOM 1450 OG1 THR A 85 8.277 1.292 7.050 1.00 73.14 O ATOM 1451 CG2 THR A 85 8.419 -0.502 5.440 1.00 73.21 C ATOM 0 H THR A 85 6.772 2.038 5.423 1.00 22.34 H new ATOM 0 HA THR A 85 5.735 -0.625 5.930 1.00 20.02 H new ATOM 0 HB THR A 85 7.738 -0.685 7.470 1.00 72.33 H new ATOM 0 HG1 THR A 85 8.018 1.513 7.969 1.00 73.14 H new ATOM 0 HG21 THR A 85 9.471 -0.643 5.690 1.00 73.21 H new ATOM 0 HG22 THR A 85 7.984 -1.458 5.147 1.00 73.21 H new ATOM 0 HG23 THR A 85 8.334 0.204 4.614 1.00 73.21 H new ATOM 1459 N ASP A 86 5.267 1.836 8.076 1.00 63.42 N ATOM 1460 CA ASP A 86 4.676 2.256 9.370 1.00 61.54 C ATOM 1461 C ASP A 86 3.388 3.070 9.169 1.00 65.23 C ATOM 1462 O ASP A 86 3.179 3.661 8.102 1.00 23.32 O ATOM 1463 CB ASP A 86 5.685 3.131 10.166 1.00 24.02 C ATOM 1464 CG ASP A 86 7.025 2.431 10.435 1.00 34.33 C ATOM 1465 OD1 ASP A 86 7.104 1.620 11.382 1.00 31.33 O ATOM 1466 OD2 ASP A 86 8.005 2.681 9.698 1.00 35.11 O ATOM 0 H ASP A 86 5.574 2.616 7.495 1.00 63.42 H new ATOM 0 HA ASP A 86 4.441 1.346 9.922 1.00 61.54 H new ATOM 0 HB2 ASP A 86 5.870 4.052 9.613 1.00 24.02 H new ATOM 0 HB3 ASP A 86 5.235 3.415 11.117 1.00 24.02 H new ATOM 1471 N GLU A 87 2.538 3.094 10.215 1.00 40.22 N ATOM 1472 CA GLU A 87 1.389 4.020 10.335 1.00 71.21 C ATOM 1473 C GLU A 87 1.823 5.478 10.084 1.00 31.50 C ATOM 1474 O GLU A 87 1.176 6.210 9.332 1.00 50.32 O ATOM 1475 CB GLU A 87 0.784 3.895 11.758 1.00 53.04 C ATOM 1476 CG GLU A 87 -0.313 4.933 12.095 1.00 53.22 C ATOM 1477 CD GLU A 87 -0.628 5.067 13.595 1.00 43.25 C ATOM 1478 OE1 GLU A 87 0.243 4.759 14.436 1.00 22.40 O ATOM 1479 OE2 GLU A 87 -1.728 5.542 13.937 1.00 31.31 O ATOM 0 H GLU A 87 2.630 2.464 11.012 1.00 40.22 H new ATOM 0 HA GLU A 87 0.645 3.753 9.584 1.00 71.21 H new ATOM 0 HB2 GLU A 87 0.365 2.895 11.872 1.00 53.04 H new ATOM 0 HB3 GLU A 87 1.588 3.988 12.488 1.00 53.04 H new ATOM 0 HG2 GLU A 87 -0.004 5.906 11.714 1.00 53.22 H new ATOM 0 HG3 GLU A 87 -1.227 4.660 11.568 1.00 53.22 H new ATOM 1486 N ASP A 88 2.942 5.861 10.707 1.00 42.02 N ATOM 1487 CA ASP A 88 3.470 7.236 10.657 1.00 1.42 C ATOM 1488 C ASP A 88 4.049 7.582 9.282 1.00 42.23 C ATOM 1489 O ASP A 88 4.155 8.762 8.946 1.00 72.12 O ATOM 1490 CB ASP A 88 4.509 7.451 11.775 1.00 53.22 C ATOM 1491 CG ASP A 88 3.864 7.461 13.171 1.00 74.32 C ATOM 1492 OD1 ASP A 88 3.723 6.384 13.785 1.00 51.41 O ATOM 1493 OD2 ASP A 88 3.471 8.547 13.652 1.00 73.12 O ATOM 0 H ASP A 88 3.513 5.225 11.264 1.00 42.02 H new ATOM 0 HA ASP A 88 2.636 7.918 10.823 1.00 1.42 H new ATOM 0 HB2 ASP A 88 5.259 6.662 11.729 1.00 53.22 H new ATOM 0 HB3 ASP A 88 5.029 8.395 11.610 1.00 53.22 H new ATOM 1498 N GLN A 89 4.401 6.559 8.490 1.00 22.02 N ATOM 1499 CA GLN A 89 4.761 6.748 7.077 1.00 10.11 C ATOM 1500 C GLN A 89 3.497 7.111 6.273 1.00 60.01 C ATOM 1501 O GLN A 89 3.541 7.983 5.408 1.00 63.30 O ATOM 1502 CB GLN A 89 5.430 5.469 6.513 1.00 63.45 C ATOM 1503 CG GLN A 89 6.792 5.118 7.136 1.00 42.34 C ATOM 1504 CD GLN A 89 7.860 6.172 6.851 1.00 70.11 C ATOM 1505 OE1 GLN A 89 8.038 7.120 7.612 1.00 1.00 O ATOM 1506 NE2 GLN A 89 8.563 6.017 5.741 1.00 23.14 N ATOM 0 H GLN A 89 4.444 5.590 8.805 1.00 22.02 H new ATOM 0 HA GLN A 89 5.480 7.563 6.991 1.00 10.11 H new ATOM 0 HB2 GLN A 89 4.753 4.628 6.660 1.00 63.45 H new ATOM 0 HB3 GLN A 89 5.560 5.589 5.437 1.00 63.45 H new ATOM 0 HG2 GLN A 89 6.676 5.007 8.214 1.00 42.34 H new ATOM 0 HG3 GLN A 89 7.126 4.155 6.750 1.00 42.34 H new ATOM 0 HE21 GLN A 89 8.387 5.217 5.133 1.00 23.14 H new ATOM 0 HE22 GLN A 89 9.281 6.698 5.493 1.00 23.14 H new ATOM 1515 N ALA A 90 2.377 6.433 6.590 1.00 24.35 N ATOM 1516 CA ALA A 90 1.053 6.712 5.981 1.00 71.04 C ATOM 1517 C ALA A 90 0.485 8.077 6.424 1.00 11.13 C ATOM 1518 O ALA A 90 -0.303 8.694 5.703 1.00 24.42 O ATOM 1519 CB ALA A 90 0.073 5.574 6.289 1.00 72.32 C ATOM 0 H ALA A 90 2.360 5.677 7.274 1.00 24.35 H new ATOM 0 HA ALA A 90 1.191 6.767 4.901 1.00 71.04 H new ATOM 0 HB1 ALA A 90 -0.894 5.793 5.836 1.00 72.32 H new ATOM 0 HB2 ALA A 90 0.461 4.640 5.883 1.00 72.32 H new ATOM 0 HB3 ALA A 90 -0.046 5.478 7.368 1.00 72.32 H new ATOM 1525 N LYS A 91 0.893 8.522 7.616 1.00 61.44 N ATOM 1526 CA LYS A 91 0.563 9.857 8.145 1.00 24.13 C ATOM 1527 C LYS A 91 1.467 10.928 7.498 1.00 73.42 C ATOM 1528 O LYS A 91 1.028 12.062 7.268 1.00 62.24 O ATOM 1529 CB LYS A 91 0.729 9.856 9.688 1.00 30.13 C ATOM 1530 CG LYS A 91 -0.276 8.942 10.439 1.00 21.13 C ATOM 1531 CD LYS A 91 0.122 8.688 11.914 1.00 14.23 C ATOM 1532 CE LYS A 91 0.271 9.974 12.737 1.00 73.23 C ATOM 1533 NZ LYS A 91 0.752 9.695 14.116 1.00 43.13 N ATOM 0 H LYS A 91 1.466 7.965 8.249 1.00 61.44 H new ATOM 0 HA LYS A 91 -0.472 10.097 7.901 1.00 24.13 H new ATOM 0 HB2 LYS A 91 1.743 9.539 9.932 1.00 30.13 H new ATOM 0 HB3 LYS A 91 0.617 10.877 10.054 1.00 30.13 H new ATOM 0 HG2 LYS A 91 -1.266 9.398 10.409 1.00 21.13 H new ATOM 0 HG3 LYS A 91 -0.349 7.987 9.919 1.00 21.13 H new ATOM 0 HD2 LYS A 91 -0.630 8.052 12.381 1.00 14.23 H new ATOM 0 HD3 LYS A 91 1.063 8.139 11.939 1.00 14.23 H new ATOM 0 HE2 LYS A 91 0.969 10.646 12.238 1.00 73.23 H new ATOM 0 HE3 LYS A 91 -0.689 10.489 12.784 1.00 73.23 H new ATOM 0 HZ1 LYS A 91 0.791 10.583 14.656 1.00 43.13 H new ATOM 0 HZ2 LYS A 91 0.100 9.034 14.584 1.00 43.13 H new ATOM 0 HZ3 LYS A 91 1.702 9.273 14.074 1.00 43.13 H new ATOM 1547 N GLN A 92 2.731 10.553 7.195 1.00 65.02 N ATOM 1548 CA GLN A 92 3.708 11.478 6.599 1.00 73.33 C ATOM 1549 C GLN A 92 3.335 11.777 5.140 1.00 31.32 C ATOM 1550 O GLN A 92 3.358 12.927 4.736 1.00 72.14 O ATOM 1551 CB GLN A 92 5.164 10.922 6.680 1.00 53.12 C ATOM 1552 CG GLN A 92 6.254 11.799 6.002 1.00 54.20 C ATOM 1553 CD GLN A 92 6.363 13.232 6.567 1.00 72.53 C ATOM 1554 OE1 GLN A 92 7.106 13.482 7.516 1.00 74.30 O ATOM 1555 NE2 GLN A 92 5.652 14.184 5.975 1.00 53.22 N ATOM 0 H GLN A 92 3.094 9.613 7.356 1.00 65.02 H new ATOM 0 HA GLN A 92 3.678 12.402 7.176 1.00 73.33 H new ATOM 0 HB2 GLN A 92 5.427 10.793 7.730 1.00 53.12 H new ATOM 0 HB3 GLN A 92 5.182 9.933 6.223 1.00 53.12 H new ATOM 0 HG2 GLN A 92 7.219 11.305 6.110 1.00 54.20 H new ATOM 0 HG3 GLN A 92 6.043 11.858 4.934 1.00 54.20 H new ATOM 0 HE21 GLN A 92 5.043 13.952 5.190 1.00 53.22 H new ATOM 0 HE22 GLN A 92 5.715 15.147 6.305 1.00 53.22 H new ATOM 1564 N ILE A 93 3.026 10.732 4.354 1.00 62.34 N ATOM 1565 CA ILE A 93 2.651 10.878 2.930 1.00 13.31 C ATOM 1566 C ILE A 93 1.394 11.757 2.722 1.00 22.03 C ATOM 1567 O ILE A 93 1.305 12.456 1.717 1.00 41.03 O ATOM 1568 CB ILE A 93 2.479 9.496 2.222 1.00 53.11 C ATOM 1569 CG1 ILE A 93 1.369 8.680 2.930 1.00 31.23 C ATOM 1570 CG2 ILE A 93 3.827 8.725 2.192 1.00 22.31 C ATOM 1571 CD1 ILE A 93 1.105 7.317 2.354 1.00 74.50 C ATOM 0 H ILE A 93 3.028 9.766 4.682 1.00 62.34 H new ATOM 0 HA ILE A 93 3.487 11.397 2.462 1.00 13.31 H new ATOM 0 HB ILE A 93 2.176 9.657 1.188 1.00 53.11 H new ATOM 0 HG12 ILE A 93 1.639 8.566 3.980 1.00 31.23 H new ATOM 0 HG13 ILE A 93 0.443 9.255 2.899 1.00 31.23 H new ATOM 0 HG21 ILE A 93 3.686 7.765 1.695 1.00 22.31 H new ATOM 0 HG22 ILE A 93 4.569 9.310 1.648 1.00 22.31 H new ATOM 0 HG23 ILE A 93 4.173 8.558 3.212 1.00 22.31 H new ATOM 0 HD11 ILE A 93 0.312 6.830 2.921 1.00 74.50 H new ATOM 0 HD12 ILE A 93 0.799 7.415 1.313 1.00 74.50 H new ATOM 0 HD13 ILE A 93 2.013 6.716 2.410 1.00 74.50 H new ATOM 1583 N LEU A 94 0.451 11.735 3.686 1.00 72.42 N ATOM 1584 CA LEU A 94 -0.690 12.697 3.730 1.00 12.21 C ATOM 1585 C LEU A 94 -0.186 14.143 3.581 1.00 12.04 C ATOM 1586 O LEU A 94 -0.755 14.943 2.836 1.00 22.43 O ATOM 1587 CB LEU A 94 -1.493 12.533 5.055 1.00 45.12 C ATOM 1588 CG LEU A 94 -2.428 11.294 5.118 1.00 41.24 C ATOM 1589 CD1 LEU A 94 -3.072 11.134 6.515 1.00 62.02 C ATOM 1590 CD2 LEU A 94 -3.501 11.382 4.006 1.00 13.32 C ATOM 0 H LEU A 94 0.450 11.061 4.452 1.00 72.42 H new ATOM 0 HA LEU A 94 -1.355 12.478 2.895 1.00 12.21 H new ATOM 0 HB2 LEU A 94 -0.787 12.477 5.883 1.00 45.12 H new ATOM 0 HB3 LEU A 94 -2.094 13.429 5.209 1.00 45.12 H new ATOM 0 HG LEU A 94 -1.825 10.402 4.947 1.00 41.24 H new ATOM 0 HD11 LEU A 94 -3.719 10.257 6.519 1.00 62.02 H new ATOM 0 HD12 LEU A 94 -2.290 11.012 7.264 1.00 62.02 H new ATOM 0 HD13 LEU A 94 -3.662 12.021 6.747 1.00 62.02 H new ATOM 0 HD21 LEU A 94 -4.152 10.509 4.058 1.00 13.32 H new ATOM 0 HD22 LEU A 94 -4.095 12.286 4.144 1.00 13.32 H new ATOM 0 HD23 LEU A 94 -3.013 11.413 3.032 1.00 13.32 H new ATOM 1602 N GLU A 95 0.903 14.429 4.291 1.00 23.03 N ATOM 1603 CA GLU A 95 1.581 15.719 4.297 1.00 2.31 C ATOM 1604 C GLU A 95 2.553 15.831 3.081 1.00 21.15 C ATOM 1605 O GLU A 95 2.729 16.913 2.516 1.00 44.44 O ATOM 1606 CB GLU A 95 2.315 15.818 5.668 1.00 23.35 C ATOM 1607 CG GLU A 95 2.777 17.211 6.119 1.00 22.11 C ATOM 1608 CD GLU A 95 3.992 17.758 5.361 1.00 0.04 C ATOM 1609 OE1 GLU A 95 5.128 17.289 5.601 1.00 11.22 O ATOM 1610 OE2 GLU A 95 3.818 18.672 4.532 1.00 34.24 O ATOM 0 H GLU A 95 1.352 13.743 4.899 1.00 23.03 H new ATOM 0 HA GLU A 95 0.884 16.550 4.190 1.00 2.31 H new ATOM 0 HB2 GLU A 95 1.653 15.417 6.435 1.00 23.35 H new ATOM 0 HB3 GLU A 95 3.189 15.168 5.631 1.00 23.35 H new ATOM 0 HG2 GLU A 95 1.948 17.909 6.002 1.00 22.11 H new ATOM 0 HG3 GLU A 95 3.015 17.174 7.182 1.00 22.11 H new ATOM 1617 N ASP A 96 3.137 14.693 2.665 1.00 50.24 N ATOM 1618 CA ASP A 96 4.202 14.645 1.634 1.00 42.22 C ATOM 1619 C ASP A 96 3.638 14.898 0.225 1.00 44.33 C ATOM 1620 O ASP A 96 4.344 15.394 -0.635 1.00 34.02 O ATOM 1621 CB ASP A 96 4.972 13.300 1.671 1.00 42.20 C ATOM 1622 CG ASP A 96 6.168 13.253 0.703 1.00 20.22 C ATOM 1623 OD1 ASP A 96 7.094 14.067 0.860 1.00 10.01 O ATOM 1624 OD2 ASP A 96 6.177 12.412 -0.216 1.00 74.43 O ATOM 0 H ASP A 96 2.886 13.775 3.033 1.00 50.24 H new ATOM 0 HA ASP A 96 4.904 15.445 1.869 1.00 42.22 H new ATOM 0 HB2 ASP A 96 5.328 13.122 2.686 1.00 42.20 H new ATOM 0 HB3 ASP A 96 4.285 12.490 1.427 1.00 42.20 H new ATOM 1629 N LEU A 97 2.363 14.561 -0.004 1.00 12.30 N ATOM 1630 CA LEU A 97 1.670 14.879 -1.280 1.00 71.02 C ATOM 1631 C LEU A 97 1.361 16.397 -1.363 1.00 55.15 C ATOM 1632 O LEU A 97 1.116 16.937 -2.448 1.00 24.42 O ATOM 1633 CB LEU A 97 0.369 14.012 -1.454 1.00 51.53 C ATOM 1634 CG LEU A 97 0.564 12.569 -2.061 1.00 54.55 C ATOM 1635 CD1 LEU A 97 1.426 11.650 -1.170 1.00 51.22 C ATOM 1636 CD2 LEU A 97 -0.791 11.899 -2.378 1.00 75.34 C ATOM 0 H LEU A 97 1.781 14.067 0.672 1.00 12.30 H new ATOM 0 HA LEU A 97 2.336 14.625 -2.105 1.00 71.02 H new ATOM 0 HB2 LEU A 97 -0.107 13.911 -0.479 1.00 51.53 H new ATOM 0 HB3 LEU A 97 -0.324 14.560 -2.092 1.00 51.53 H new ATOM 0 HG LEU A 97 1.109 12.710 -2.994 1.00 54.55 H new ATOM 0 HD11 LEU A 97 1.523 10.672 -1.642 1.00 51.22 H new ATOM 0 HD12 LEU A 97 2.415 12.091 -1.042 1.00 51.22 H new ATOM 0 HD13 LEU A 97 0.950 11.537 -0.196 1.00 51.22 H new ATOM 0 HD21 LEU A 97 -0.618 10.907 -2.794 1.00 75.34 H new ATOM 0 HD22 LEU A 97 -1.376 11.811 -1.463 1.00 75.34 H new ATOM 0 HD23 LEU A 97 -1.337 12.506 -3.101 1.00 75.34 H new ATOM 1648 N LYS A 98 1.402 17.067 -0.189 1.00 54.11 N ATOM 1649 CA LYS A 98 1.160 18.522 -0.064 1.00 64.04 C ATOM 1650 C LYS A 98 2.478 19.306 -0.260 1.00 64.41 C ATOM 1651 O LYS A 98 2.458 20.450 -0.737 1.00 31.22 O ATOM 1652 CB LYS A 98 0.488 18.859 1.298 1.00 3.41 C ATOM 1653 CG LYS A 98 -0.678 17.919 1.700 1.00 54.13 C ATOM 1654 CD LYS A 98 -1.767 17.719 0.618 1.00 70.12 C ATOM 1655 CE LYS A 98 -2.585 18.985 0.326 1.00 72.15 C ATOM 1656 NZ LYS A 98 -3.601 18.743 -0.737 1.00 32.43 N ATOM 0 H LYS A 98 1.605 16.612 0.701 1.00 54.11 H new ATOM 0 HA LYS A 98 0.469 18.829 -0.850 1.00 64.04 H new ATOM 0 HB2 LYS A 98 1.247 18.827 2.079 1.00 3.41 H new ATOM 0 HB3 LYS A 98 0.114 19.882 1.259 1.00 3.41 H new ATOM 0 HG2 LYS A 98 -0.265 16.945 1.961 1.00 54.13 H new ATOM 0 HG3 LYS A 98 -1.150 18.316 2.599 1.00 54.13 H new ATOM 0 HD2 LYS A 98 -1.293 17.382 -0.304 1.00 70.12 H new ATOM 0 HD3 LYS A 98 -2.443 16.926 0.937 1.00 70.12 H new ATOM 0 HE2 LYS A 98 -3.082 19.317 1.237 1.00 72.15 H new ATOM 0 HE3 LYS A 98 -1.917 19.788 0.016 1.00 72.15 H new ATOM 0 HZ1 LYS A 98 -3.364 19.306 -1.579 1.00 32.43 H new ATOM 0 HZ2 LYS A 98 -3.609 17.733 -0.987 1.00 32.43 H new ATOM 0 HZ3 LYS A 98 -4.541 19.020 -0.389 1.00 32.43 H new ATOM 1670 N LYS A 99 3.617 18.690 0.133 1.00 40.03 N ATOM 1671 CA LYS A 99 4.967 19.213 -0.186 1.00 2.42 C ATOM 1672 C LYS A 99 5.437 18.659 -1.550 1.00 23.43 C ATOM 1673 O LYS A 99 5.383 19.361 -2.559 1.00 42.34 O ATOM 1674 CB LYS A 99 6.007 18.859 0.933 1.00 33.24 C ATOM 1675 CG LYS A 99 5.909 19.705 2.224 1.00 61.23 C ATOM 1676 CD LYS A 99 7.098 19.438 3.185 1.00 50.25 C ATOM 1677 CE LYS A 99 7.130 20.386 4.400 1.00 22.21 C ATOM 1678 NZ LYS A 99 6.018 20.158 5.344 1.00 31.52 N ATOM 0 H LYS A 99 3.628 17.826 0.674 1.00 40.03 H new ATOM 0 HA LYS A 99 4.901 20.300 -0.240 1.00 2.42 H new ATOM 0 HB2 LYS A 99 5.886 17.809 1.198 1.00 33.24 H new ATOM 0 HB3 LYS A 99 7.010 18.971 0.521 1.00 33.24 H new ATOM 0 HG2 LYS A 99 5.884 20.763 1.963 1.00 61.23 H new ATOM 0 HG3 LYS A 99 4.973 19.480 2.735 1.00 61.23 H new ATOM 0 HD2 LYS A 99 7.045 18.408 3.539 1.00 50.25 H new ATOM 0 HD3 LYS A 99 8.032 19.537 2.632 1.00 50.25 H new ATOM 0 HE2 LYS A 99 8.076 20.260 4.926 1.00 22.21 H new ATOM 0 HE3 LYS A 99 7.095 21.417 4.049 1.00 22.21 H new ATOM 0 HZ1 LYS A 99 5.730 21.064 5.766 1.00 31.52 H new ATOM 0 HZ2 LYS A 99 5.212 19.740 4.837 1.00 31.52 H new ATOM 0 HZ3 LYS A 99 6.328 19.509 6.095 1.00 31.52 H new ATOM 1692 N LYS A 100 5.856 17.389 -1.565 1.00 25.33 N ATOM 1693 CA LYS A 100 6.318 16.685 -2.773 1.00 34.23 C ATOM 1694 C LYS A 100 5.121 16.292 -3.660 1.00 14.43 C ATOM 1695 O LYS A 100 4.572 15.190 -3.542 1.00 61.33 O ATOM 1696 CB LYS A 100 7.188 15.453 -2.348 1.00 72.13 C ATOM 1697 CG LYS A 100 8.705 15.758 -2.222 1.00 75.31 C ATOM 1698 CD LYS A 100 9.408 15.788 -3.598 1.00 72.03 C ATOM 1699 CE LYS A 100 9.429 14.397 -4.253 1.00 70.32 C ATOM 1700 NZ LYS A 100 9.902 14.422 -5.660 1.00 74.11 N ATOM 0 H LYS A 100 5.885 16.809 -0.726 1.00 25.33 H new ATOM 0 HA LYS A 100 6.944 17.343 -3.376 1.00 34.23 H new ATOM 0 HB2 LYS A 100 6.824 15.078 -1.392 1.00 72.13 H new ATOM 0 HB3 LYS A 100 7.049 14.655 -3.077 1.00 72.13 H new ATOM 0 HG2 LYS A 100 8.841 16.718 -1.725 1.00 75.31 H new ATOM 0 HG3 LYS A 100 9.175 15.003 -1.592 1.00 75.31 H new ATOM 0 HD2 LYS A 100 8.896 16.492 -4.254 1.00 72.03 H new ATOM 0 HD3 LYS A 100 10.429 16.150 -3.478 1.00 72.03 H new ATOM 0 HE2 LYS A 100 10.073 13.738 -3.671 1.00 70.32 H new ATOM 0 HE3 LYS A 100 8.426 13.972 -4.221 1.00 70.32 H new ATOM 0 HZ1 LYS A 100 9.287 13.820 -6.244 1.00 74.11 H new ATOM 0 HZ2 LYS A 100 9.873 15.398 -6.019 1.00 74.11 H new ATOM 0 HZ3 LYS A 100 10.878 14.066 -5.705 1.00 74.11 H new ATOM 1714 N GLY A 101 4.704 17.234 -4.506 1.00 32.02 N ATOM 1715 CA GLY A 101 3.646 17.020 -5.478 1.00 34.10 C ATOM 1716 C GLY A 101 3.939 17.835 -6.714 1.00 30.24 C ATOM 1717 O GLY A 101 3.222 18.787 -7.011 1.00 54.41 O ATOM 0 H GLY A 101 5.099 18.174 -4.531 1.00 32.02 H new ATOM 0 HA2 GLY A 101 3.577 15.962 -5.732 1.00 34.10 H new ATOM 0 HA3 GLY A 101 2.684 17.309 -5.056 1.00 34.10 H new ATOM 1721 N SER A 102 5.032 17.450 -7.402 1.00 3.10 N ATOM 1722 CA SER A 102 5.598 18.143 -8.578 1.00 75.42 C ATOM 1723 C SER A 102 5.828 19.649 -8.314 1.00 21.51 C ATOM 1724 O SER A 102 5.086 20.514 -8.793 1.00 4.51 O ATOM 1725 CB SER A 102 4.788 17.861 -9.881 1.00 15.13 C ATOM 1726 OG SER A 102 3.433 18.294 -9.801 1.00 32.21 O ATOM 0 H SER A 102 5.564 16.619 -7.146 1.00 3.10 H new ATOM 0 HA SER A 102 6.587 17.718 -8.750 1.00 75.42 H new ATOM 0 HB2 SER A 102 5.274 18.360 -10.719 1.00 15.13 H new ATOM 0 HB3 SER A 102 4.810 16.792 -10.091 1.00 15.13 H new ATOM 0 HG SER A 102 3.257 18.654 -8.907 1.00 32.21 H new ATOM 1732 N LEU A 103 6.873 19.939 -7.503 1.00 5.42 N ATOM 1733 CA LEU A 103 7.336 21.324 -7.222 1.00 21.23 C ATOM 1734 C LEU A 103 8.133 21.886 -8.421 1.00 23.33 C ATOM 1735 O LEU A 103 8.497 23.067 -8.451 1.00 41.14 O ATOM 1736 CB LEU A 103 8.211 21.336 -5.935 1.00 31.33 C ATOM 1737 CG LEU A 103 7.474 20.929 -4.618 1.00 62.10 C ATOM 1738 CD1 LEU A 103 8.457 20.796 -3.426 1.00 30.24 C ATOM 1739 CD2 LEU A 103 6.327 21.925 -4.297 1.00 55.52 C ATOM 0 H LEU A 103 7.420 19.223 -7.025 1.00 5.42 H new ATOM 0 HA LEU A 103 6.465 21.960 -7.065 1.00 21.23 H new ATOM 0 HB2 LEU A 103 9.054 20.661 -6.083 1.00 31.33 H new ATOM 0 HB3 LEU A 103 8.623 22.337 -5.806 1.00 31.33 H new ATOM 0 HG LEU A 103 7.032 19.946 -4.778 1.00 62.10 H new ATOM 0 HD11 LEU A 103 7.906 20.512 -2.530 1.00 30.24 H new ATOM 0 HD12 LEU A 103 9.201 20.032 -3.652 1.00 30.24 H new ATOM 0 HD13 LEU A 103 8.956 21.750 -3.258 1.00 30.24 H new ATOM 0 HD21 LEU A 103 5.829 21.621 -3.376 1.00 55.52 H new ATOM 0 HD22 LEU A 103 6.739 22.927 -4.173 1.00 55.52 H new ATOM 0 HD23 LEU A 103 5.607 21.927 -5.116 1.00 55.52 H new ATOM 1751 N GLU A 104 8.384 21.008 -9.396 1.00 53.41 N ATOM 1752 CA GLU A 104 9.120 21.289 -10.616 1.00 75.12 C ATOM 1753 C GLU A 104 8.342 20.684 -11.803 1.00 0.35 C ATOM 1754 O GLU A 104 7.973 19.498 -11.776 1.00 42.14 O ATOM 1755 CB GLU A 104 10.575 20.726 -10.513 1.00 54.10 C ATOM 1756 CG GLU A 104 10.714 19.196 -10.285 1.00 3.02 C ATOM 1757 CD GLU A 104 10.123 18.681 -8.955 1.00 42.35 C ATOM 1758 OE1 GLU A 104 10.746 18.900 -7.891 1.00 3.02 O ATOM 1759 OE2 GLU A 104 9.039 18.053 -8.966 1.00 71.45 O ATOM 0 H GLU A 104 8.062 20.041 -9.347 1.00 53.41 H new ATOM 0 HA GLU A 104 9.211 22.364 -10.771 1.00 75.12 H new ATOM 0 HB2 GLU A 104 11.106 20.983 -11.430 1.00 54.10 H new ATOM 0 HB3 GLU A 104 11.082 21.240 -9.696 1.00 54.10 H new ATOM 0 HG2 GLU A 104 10.226 18.675 -11.109 1.00 3.02 H new ATOM 0 HG3 GLU A 104 11.771 18.932 -10.322 1.00 3.02 H new ATOM 1766 N HIS A 105 8.039 21.526 -12.815 1.00 24.11 N ATOM 1767 CA HIS A 105 7.337 21.088 -14.046 1.00 12.42 C ATOM 1768 C HIS A 105 8.278 20.197 -14.884 1.00 12.01 C ATOM 1769 O HIS A 105 7.837 19.306 -15.616 1.00 22.34 O ATOM 1770 CB HIS A 105 6.868 22.325 -14.861 1.00 60.10 C ATOM 1771 CG HIS A 105 5.776 22.044 -15.868 1.00 13.10 C ATOM 1772 ND1 HIS A 105 6.004 21.872 -17.212 1.00 14.42 N ATOM 1773 CD2 HIS A 105 4.436 21.927 -15.705 1.00 22.32 C ATOM 1774 CE1 HIS A 105 4.858 21.662 -17.833 1.00 0.13 C ATOM 1775 NE2 HIS A 105 3.889 21.693 -16.943 1.00 1.33 N ATOM 0 H HIS A 105 8.271 22.519 -12.805 1.00 24.11 H new ATOM 0 HA HIS A 105 6.454 20.507 -13.778 1.00 12.42 H new ATOM 0 HB2 HIS A 105 6.515 23.087 -14.167 1.00 60.10 H new ATOM 0 HB3 HIS A 105 7.727 22.744 -15.385 1.00 60.10 H new ATOM 0 HD2 HIS A 105 3.897 22.004 -14.772 1.00 22.32 H new ATOM 0 HE1 HIS A 105 4.736 21.493 -18.893 1.00 0.13 H new ATOM 0 HE2 HIS A 105 2.896 21.565 -17.140 1.00 1.33 H new ATOM 1784 N HIS A 106 9.585 20.487 -14.761 1.00 5.21 N ATOM 1785 CA HIS A 106 10.679 19.659 -15.270 1.00 12.51 C ATOM 1786 C HIS A 106 11.932 19.960 -14.423 1.00 0.11 C ATOM 1787 O HIS A 106 12.431 21.092 -14.413 1.00 5.15 O ATOM 1788 CB HIS A 106 10.923 19.868 -16.790 1.00 41.13 C ATOM 1789 CG HIS A 106 11.186 21.287 -17.221 1.00 73.00 C ATOM 1790 ND1 HIS A 106 12.389 21.706 -17.750 1.00 43.31 N ATOM 1791 CD2 HIS A 106 10.385 22.377 -17.219 1.00 63.14 C ATOM 1792 CE1 HIS A 106 12.312 22.988 -18.050 1.00 63.30 C ATOM 1793 NE2 HIS A 106 11.110 23.417 -17.740 1.00 64.42 N ATOM 0 H HIS A 106 9.913 21.330 -14.290 1.00 5.21 H new ATOM 0 HA HIS A 106 10.418 18.605 -15.174 1.00 12.51 H new ATOM 0 HB2 HIS A 106 11.771 19.253 -17.091 1.00 41.13 H new ATOM 0 HB3 HIS A 106 10.053 19.498 -17.333 1.00 41.13 H new ATOM 0 HD2 HIS A 106 9.363 22.420 -16.871 1.00 63.14 H new ATOM 0 HE1 HIS A 106 13.104 23.584 -18.478 1.00 63.30 H new ATOM 0 HE2 HIS A 106 10.771 24.371 -17.867 1.00 64.42 H new ATOM 1802 N HIS A 107 12.397 18.937 -13.682 1.00 34.34 N ATOM 1803 CA HIS A 107 13.499 19.049 -12.702 1.00 64.10 C ATOM 1804 C HIS A 107 14.841 19.400 -13.369 1.00 0.15 C ATOM 1805 O HIS A 107 15.681 20.075 -12.766 1.00 31.23 O ATOM 1806 CB HIS A 107 13.630 17.714 -11.920 1.00 53.13 C ATOM 1807 CG HIS A 107 14.512 17.771 -10.697 1.00 44.42 C ATOM 1808 ND1 HIS A 107 15.598 16.942 -10.502 1.00 63.03 N ATOM 1809 CD2 HIS A 107 14.448 18.555 -9.596 1.00 20.05 C ATOM 1810 CE1 HIS A 107 16.156 17.215 -9.342 1.00 22.03 C ATOM 1811 NE2 HIS A 107 15.479 18.183 -8.769 1.00 13.21 N ATOM 0 H HIS A 107 12.013 17.994 -13.747 1.00 34.34 H new ATOM 0 HA HIS A 107 13.256 19.864 -12.020 1.00 64.10 H new ATOM 0 HB2 HIS A 107 12.635 17.390 -11.616 1.00 53.13 H new ATOM 0 HB3 HIS A 107 14.021 16.953 -12.595 1.00 53.13 H new ATOM 0 HD2 HIS A 107 13.721 19.330 -9.403 1.00 20.05 H new ATOM 0 HE1 HIS A 107 17.026 16.725 -8.930 1.00 22.03 H new ATOM 0 HE2 HIS A 107 15.685 18.592 -7.858 1.00 13.21 H new ATOM 1820 N HIS A 108 15.032 18.920 -14.605 1.00 35.51 N ATOM 1821 CA HIS A 108 16.277 19.118 -15.369 1.00 41.33 C ATOM 1822 C HIS A 108 15.965 19.124 -16.874 1.00 30.41 C ATOM 1823 O HIS A 108 15.256 18.237 -17.368 1.00 75.41 O ATOM 1824 CB HIS A 108 17.328 18.021 -15.012 1.00 43.12 C ATOM 1825 CG HIS A 108 16.904 16.599 -15.310 1.00 65.31 C ATOM 1826 ND1 HIS A 108 17.559 15.789 -16.213 1.00 11.13 N ATOM 1827 CD2 HIS A 108 15.898 15.841 -14.807 1.00 24.43 C ATOM 1828 CE1 HIS A 108 16.982 14.610 -16.252 1.00 70.34 C ATOM 1829 NE2 HIS A 108 15.974 14.614 -15.410 1.00 32.43 N ATOM 0 H HIS A 108 14.327 18.381 -15.107 1.00 35.51 H new ATOM 0 HA HIS A 108 16.710 20.082 -15.101 1.00 41.33 H new ATOM 0 HB2 HIS A 108 18.248 18.231 -15.558 1.00 43.12 H new ATOM 0 HB3 HIS A 108 17.563 18.098 -13.950 1.00 43.12 H new ATOM 0 HD2 HIS A 108 15.172 16.148 -14.068 1.00 24.43 H new ATOM 0 HE1 HIS A 108 17.285 13.779 -16.871 1.00 70.34 H new ATOM 0 HE2 HIS A 108 15.348 13.828 -15.233 1.00 32.43 H new ATOM 1838 N HIS A 109 16.456 20.155 -17.588 1.00 13.11 N ATOM 1839 CA HIS A 109 16.313 20.262 -19.059 1.00 31.15 C ATOM 1840 C HIS A 109 17.355 19.371 -19.766 1.00 75.34 C ATOM 1841 O HIS A 109 17.152 18.926 -20.895 1.00 43.42 O ATOM 1842 CB HIS A 109 16.423 21.746 -19.523 1.00 13.31 C ATOM 1843 CG HIS A 109 17.757 22.421 -19.273 1.00 3.11 C ATOM 1844 ND1 HIS A 109 17.993 23.259 -18.202 1.00 31.34 N ATOM 1845 CD2 HIS A 109 18.917 22.407 -19.985 1.00 44.52 C ATOM 1846 CE1 HIS A 109 19.225 23.731 -18.272 1.00 5.34 C ATOM 1847 NE2 HIS A 109 19.803 23.229 -19.337 1.00 43.12 N ATOM 0 H HIS A 109 16.961 20.935 -17.167 1.00 13.11 H new ATOM 0 HA HIS A 109 15.321 19.906 -19.338 1.00 31.15 H new ATOM 0 HB2 HIS A 109 16.211 21.789 -20.591 1.00 13.31 H new ATOM 0 HB3 HIS A 109 15.646 22.322 -19.020 1.00 13.31 H new ATOM 0 HD2 HIS A 109 19.105 21.852 -20.892 1.00 44.52 H new ATOM 0 HE1 HIS A 109 19.680 24.415 -17.571 1.00 5.34 H new ATOM 0 HE2 HIS A 109 20.759 23.420 -19.636 1.00 43.12 H new ATOM 1856 N HIS A 110 18.468 19.135 -19.064 1.00 54.23 N ATOM 1857 CA HIS A 110 19.569 18.264 -19.491 1.00 35.21 C ATOM 1858 C HIS A 110 19.628 17.088 -18.494 1.00 43.24 C ATOM 1859 O HIS A 110 19.943 17.324 -17.307 1.00 61.41 O ATOM 1860 CB HIS A 110 20.908 19.062 -19.504 1.00 24.20 C ATOM 1861 CG HIS A 110 22.128 18.271 -19.939 1.00 61.40 C ATOM 1862 ND1 HIS A 110 22.736 18.436 -21.169 1.00 43.04 N ATOM 1863 CD2 HIS A 110 22.867 17.326 -19.296 1.00 61.52 C ATOM 1864 CE1 HIS A 110 23.777 17.628 -21.260 1.00 63.42 C ATOM 1865 NE2 HIS A 110 23.880 16.953 -20.140 1.00 74.21 N ATOM 1866 OXT HIS A 110 19.332 15.941 -18.874 1.00 38.40 O ATOM 0 H HIS A 110 18.633 19.560 -18.151 1.00 54.23 H new ATOM 0 HA HIS A 110 19.409 17.890 -20.502 1.00 35.21 H new ATOM 0 HB2 HIS A 110 20.795 19.919 -20.168 1.00 24.20 H new ATOM 0 HB3 HIS A 110 21.088 19.455 -18.503 1.00 24.20 H new ATOM 0 HD2 HIS A 110 22.688 16.941 -18.303 1.00 61.52 H new ATOM 0 HE1 HIS A 110 24.433 17.538 -22.113 1.00 63.42 H new ATOM 0 HE2 HIS A 110 24.599 16.261 -19.931 1.00 74.21 H new TER 1875 HIS A 110