USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 761 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.475 X(o=-0.48,f=-0.031) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.013) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -175:sc= -0.0308 (180deg=-0.081) USER MOD Single : A 25 SER OG : rot 27:sc= 0.292 USER MOD Single : A 26 CYS SG : rot 32:sc= -0.249 USER MOD Single : A 27 SER OG : rot 46:sc= 0.737 USER MOD Single : A 30 CYS SG : rot -156:sc= 2.02 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.071) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -148:sc= -5.08! (180deg=-8.32!) USER MOD Single : A 44 THR OG1 : rot 19:sc= 0.606 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 37:sc= 0.62 USER MOD Single : A 53 SER OG : rot 33:sc= 0.406 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.17 K(o=-0.17,f=-2.7!) USER MOD Single : A 59 THR OG1 : rot -53:sc= 0.0349 USER MOD Single : A 61 GLN : amide:sc= -0.0854 X(o=-0.085,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.622) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 42:sc= 0.0543 USER MOD Single : A 88 THR OG1 : rot -26:sc= 0.444 USER MOD Single : A 89 SER OG : rot -165:sc= -2.6 USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0501) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= -0.194 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.356 39.918 2.357 1.00 0.00 N ATOM 2 CA GLY A 1 12.908 40.194 1.005 1.00 0.00 C ATOM 3 C GLY A 1 11.445 39.856 0.798 1.00 0.00 C ATOM 4 O GLY A 1 10.566 40.659 1.109 1.00 0.00 O ATOM 0 H1 GLY A 1 14.362 40.166 2.447 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.799 40.483 3.029 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.229 38.907 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.069 41.248 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.513 39.622 0.301 1.00 0.00 H new ATOM 8 N SER A 2 11.183 38.665 0.270 1.00 0.00 N ATOM 9 CA SER A 2 9.816 38.225 0.017 1.00 0.00 C ATOM 10 C SER A 2 9.569 36.844 0.618 1.00 0.00 C ATOM 11 O SER A 2 10.146 35.851 0.176 1.00 0.00 O ATOM 12 CB SER A 2 9.537 38.196 -1.487 1.00 0.00 C ATOM 13 OG SER A 2 9.676 39.486 -2.056 1.00 0.00 O ATOM 0 H SER A 2 11.899 37.987 0.009 1.00 0.00 H new ATOM 0 HA SER A 2 9.139 38.935 0.492 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.224 37.504 -1.974 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.529 37.823 -1.666 1.00 0.00 H new ATOM 0 HG SER A 2 9.494 39.441 -3.018 1.00 0.00 H new ATOM 19 N SER A 3 8.708 36.791 1.629 1.00 0.00 N ATOM 20 CA SER A 3 8.387 35.533 2.294 1.00 0.00 C ATOM 21 C SER A 3 7.114 34.923 1.717 1.00 0.00 C ATOM 22 O SER A 3 6.166 35.633 1.386 1.00 0.00 O ATOM 23 CB SER A 3 8.222 35.756 3.799 1.00 0.00 C ATOM 24 OG SER A 3 9.397 36.311 4.364 1.00 0.00 O ATOM 0 H SER A 3 8.220 37.604 2.006 1.00 0.00 H new ATOM 0 HA SER A 3 9.211 34.840 2.124 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.378 36.421 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.992 34.809 4.287 1.00 0.00 H new ATOM 0 HG SER A 3 9.266 36.445 5.326 1.00 0.00 H new ATOM 30 N GLY A 4 7.101 33.598 1.598 1.00 0.00 N ATOM 31 CA GLY A 4 5.941 32.913 1.060 1.00 0.00 C ATOM 32 C GLY A 4 6.273 32.082 -0.163 1.00 0.00 C ATOM 33 O GLY A 4 7.356 32.211 -0.734 1.00 0.00 O ATOM 0 H GLY A 4 7.873 32.988 1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.515 32.268 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.178 33.647 0.800 1.00 0.00 H new ATOM 37 N SER A 5 5.341 31.225 -0.566 1.00 0.00 N ATOM 38 CA SER A 5 5.543 30.365 -1.727 1.00 0.00 C ATOM 39 C SER A 5 4.215 30.057 -2.412 1.00 0.00 C ATOM 40 O SER A 5 3.212 29.783 -1.753 1.00 0.00 O ATOM 41 CB SER A 5 6.229 29.063 -1.310 1.00 0.00 C ATOM 42 OG SER A 5 6.657 28.327 -2.442 1.00 0.00 O ATOM 0 H SER A 5 4.438 31.107 -0.106 1.00 0.00 H new ATOM 0 HA SER A 5 6.182 30.894 -2.434 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.085 29.287 -0.673 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.541 28.459 -0.719 1.00 0.00 H new ATOM 0 HG SER A 5 7.094 27.500 -2.149 1.00 0.00 H new ATOM 48 N SER A 6 4.217 30.104 -3.740 1.00 0.00 N ATOM 49 CA SER A 6 3.012 29.834 -4.517 1.00 0.00 C ATOM 50 C SER A 6 2.950 28.367 -4.931 1.00 0.00 C ATOM 51 O SER A 6 1.906 27.725 -4.827 1.00 0.00 O ATOM 52 CB SER A 6 2.969 30.728 -5.758 1.00 0.00 C ATOM 53 OG SER A 6 2.680 32.071 -5.409 1.00 0.00 O ATOM 0 H SER A 6 5.039 30.326 -4.301 1.00 0.00 H new ATOM 0 HA SER A 6 2.148 30.053 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.926 30.682 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.213 30.358 -6.451 1.00 0.00 H new ATOM 0 HG SER A 6 2.660 32.622 -6.219 1.00 0.00 H new ATOM 59 N GLY A 7 4.079 27.843 -5.400 1.00 0.00 N ATOM 60 CA GLY A 7 4.132 26.456 -5.823 1.00 0.00 C ATOM 61 C GLY A 7 3.338 25.541 -4.912 1.00 0.00 C ATOM 62 O GLY A 7 3.357 25.698 -3.691 1.00 0.00 O ATOM 0 H GLY A 7 4.957 28.354 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.747 26.375 -6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.171 26.126 -5.848 1.00 0.00 H new ATOM 66 N HIS A 8 2.634 24.582 -5.506 1.00 0.00 N ATOM 67 CA HIS A 8 1.828 23.639 -4.740 1.00 0.00 C ATOM 68 C HIS A 8 2.490 22.265 -4.701 1.00 0.00 C ATOM 69 O HIS A 8 3.490 22.026 -5.378 1.00 0.00 O ATOM 70 CB HIS A 8 0.427 23.525 -5.342 1.00 0.00 C ATOM 71 CG HIS A 8 0.427 23.137 -6.789 1.00 0.00 C ATOM 72 ND1 HIS A 8 0.173 21.853 -7.223 1.00 0.00 N ATOM 73 CD2 HIS A 8 0.649 23.872 -7.903 1.00 0.00 C ATOM 74 CE1 HIS A 8 0.242 21.815 -8.542 1.00 0.00 C ATOM 75 NE2 HIS A 8 0.529 23.028 -8.979 1.00 0.00 N ATOM 0 H HIS A 8 2.606 24.438 -6.515 1.00 0.00 H new ATOM 0 HA HIS A 8 1.747 24.014 -3.720 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.144 22.788 -4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.086 24.480 -5.230 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.878 24.927 -7.939 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.090 20.941 -9.158 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.643 23.294 -9.957 1.00 0.00 H new ATOM 84 N VAL A 9 1.926 21.364 -3.902 1.00 0.00 N ATOM 85 CA VAL A 9 2.461 20.014 -3.774 1.00 0.00 C ATOM 86 C VAL A 9 1.405 18.969 -4.117 1.00 0.00 C ATOM 87 O VAL A 9 0.224 19.145 -3.821 1.00 0.00 O ATOM 88 CB VAL A 9 2.986 19.750 -2.350 1.00 0.00 C ATOM 89 CG1 VAL A 9 1.867 19.909 -1.332 1.00 0.00 C ATOM 90 CG2 VAL A 9 3.608 18.365 -2.260 1.00 0.00 C ATOM 0 H VAL A 9 1.099 21.545 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 9 3.289 19.934 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 9 3.759 20.485 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.256 19.719 -0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.472 20.924 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.070 19.198 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.974 18.195 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.858 17.613 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.438 18.293 -2.962 1.00 0.00 H new ATOM 100 N GLY A 10 1.839 17.879 -4.743 1.00 0.00 N ATOM 101 CA GLY A 10 0.918 16.821 -5.115 1.00 0.00 C ATOM 102 C GLY A 10 1.600 15.472 -5.227 1.00 0.00 C ATOM 103 O GLY A 10 2.801 15.354 -4.983 1.00 0.00 O ATOM 0 H GLY A 10 2.812 17.710 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.120 16.761 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.451 17.069 -6.068 1.00 0.00 H new ATOM 107 N ILE A 11 0.832 14.452 -5.594 1.00 0.00 N ATOM 108 CA ILE A 11 1.369 13.104 -5.736 1.00 0.00 C ATOM 109 C ILE A 11 1.991 12.903 -7.114 1.00 0.00 C ATOM 110 O ILE A 11 1.285 12.817 -8.120 1.00 0.00 O ATOM 111 CB ILE A 11 0.281 12.037 -5.516 1.00 0.00 C ATOM 112 CG1 ILE A 11 -0.393 12.238 -4.156 1.00 0.00 C ATOM 113 CG2 ILE A 11 0.878 10.642 -5.616 1.00 0.00 C ATOM 114 CD1 ILE A 11 -1.759 11.595 -4.058 1.00 0.00 C ATOM 0 H ILE A 11 -0.164 14.533 -5.798 1.00 0.00 H new ATOM 0 HA ILE A 11 2.138 12.989 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.474 12.144 -6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.250 11.828 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.488 13.306 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.096 9.899 -5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.316 10.504 -6.605 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.651 10.522 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.177 11.778 -3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.417 12.022 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.668 10.521 -4.221 1.00 0.00 H new ATOM 126 N THR A 12 3.318 12.827 -7.153 1.00 0.00 N ATOM 127 CA THR A 12 4.035 12.635 -8.407 1.00 0.00 C ATOM 128 C THR A 12 4.129 11.156 -8.766 1.00 0.00 C ATOM 129 O THR A 12 4.370 10.801 -9.920 1.00 0.00 O ATOM 130 CB THR A 12 5.456 13.226 -8.338 1.00 0.00 C ATOM 131 OG1 THR A 12 6.187 12.884 -9.520 1.00 0.00 O ATOM 132 CG2 THR A 12 6.196 12.713 -7.112 1.00 0.00 C ATOM 0 H THR A 12 3.917 12.896 -6.330 1.00 0.00 H new ATOM 0 HA THR A 12 3.469 13.158 -9.178 1.00 0.00 H new ATOM 0 HB THR A 12 5.371 14.310 -8.265 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.089 13.265 -9.469 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.197 13.144 -7.084 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.652 13.001 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.270 11.627 -7.160 1.00 0.00 H new ATOM 140 N LYS A 13 3.937 10.297 -7.771 1.00 0.00 N ATOM 141 CA LYS A 13 3.997 8.856 -7.981 1.00 0.00 C ATOM 142 C LYS A 13 2.752 8.172 -7.427 1.00 0.00 C ATOM 143 O LYS A 13 2.750 7.685 -6.296 1.00 0.00 O ATOM 144 CB LYS A 13 5.248 8.275 -7.318 1.00 0.00 C ATOM 145 CG LYS A 13 5.466 6.802 -7.615 1.00 0.00 C ATOM 146 CD LYS A 13 6.539 6.205 -6.719 1.00 0.00 C ATOM 147 CE LYS A 13 6.286 4.728 -6.456 1.00 0.00 C ATOM 148 NZ LYS A 13 6.307 3.929 -7.712 1.00 0.00 N ATOM 0 H LYS A 13 3.738 10.575 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 13 4.043 8.673 -9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.120 8.837 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.174 8.412 -6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.531 6.260 -7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.753 6.679 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.516 6.331 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.566 6.745 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.043 4.347 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.321 4.607 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.181 2.922 -7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.536 4.242 -8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.219 4.064 -8.194 1.00 0.00 H new ATOM 162 N ARG A 14 1.694 8.138 -8.231 1.00 0.00 N ATOM 163 CA ARG A 14 0.442 7.514 -7.820 1.00 0.00 C ATOM 164 C ARG A 14 0.617 6.008 -7.646 1.00 0.00 C ATOM 165 O ARG A 14 1.346 5.365 -8.402 1.00 0.00 O ATOM 166 CB ARG A 14 -0.654 7.794 -8.850 1.00 0.00 C ATOM 167 CG ARG A 14 -0.801 9.267 -9.197 1.00 0.00 C ATOM 168 CD ARG A 14 -2.198 9.582 -9.709 1.00 0.00 C ATOM 169 NE ARG A 14 -2.326 9.328 -11.142 1.00 0.00 N ATOM 170 CZ ARG A 14 -3.270 9.870 -11.903 1.00 0.00 C ATOM 171 NH1 ARG A 14 -4.163 10.693 -11.371 1.00 0.00 N ATOM 172 NH2 ARG A 14 -3.320 9.591 -13.199 1.00 0.00 N ATOM 0 H ARG A 14 1.679 8.535 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 14 0.149 7.942 -6.861 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.437 7.235 -9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.605 7.423 -8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.590 9.872 -8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.065 9.539 -9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.927 8.979 -9.167 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.432 10.626 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.654 8.700 -11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.126 10.911 -10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.887 11.108 -11.957 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.633 8.960 -13.612 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.045 10.008 -13.783 1.00 0.00 H new ATOM 186 N LEU A 15 -0.055 5.452 -6.644 1.00 0.00 N ATOM 187 CA LEU A 15 0.026 4.021 -6.369 1.00 0.00 C ATOM 188 C LEU A 15 -0.050 3.213 -7.661 1.00 0.00 C ATOM 189 O LEU A 15 -0.397 3.742 -8.717 1.00 0.00 O ATOM 190 CB LEU A 15 -1.099 3.599 -5.423 1.00 0.00 C ATOM 191 CG LEU A 15 -1.019 4.147 -3.998 1.00 0.00 C ATOM 192 CD1 LEU A 15 -2.339 3.943 -3.272 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.119 3.484 -3.235 1.00 0.00 C ATOM 0 H LEU A 15 -0.662 5.970 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 15 0.986 3.821 -5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.048 3.911 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.114 2.510 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.820 5.217 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.262 4.339 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.133 4.465 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.570 2.879 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.161 3.886 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.050 2.408 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.062 3.682 -3.744 1.00 0.00 H new ATOM 205 N LYS A 16 0.274 1.928 -7.569 1.00 0.00 N ATOM 206 CA LYS A 16 0.240 1.045 -8.728 1.00 0.00 C ATOM 207 C LYS A 16 -0.323 -0.323 -8.353 1.00 0.00 C ATOM 208 O LYS A 16 -0.383 -0.680 -7.176 1.00 0.00 O ATOM 209 CB LYS A 16 1.643 0.887 -9.317 1.00 0.00 C ATOM 210 CG LYS A 16 2.647 0.290 -8.345 1.00 0.00 C ATOM 211 CD LYS A 16 3.815 -0.352 -9.075 1.00 0.00 C ATOM 212 CE LYS A 16 3.478 -1.761 -9.535 1.00 0.00 C ATOM 213 NZ LYS A 16 4.702 -2.549 -9.852 1.00 0.00 N ATOM 0 H LYS A 16 0.563 1.475 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.412 1.494 -9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.587 0.254 -10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.003 1.863 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.017 1.069 -7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.153 -0.455 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.086 0.258 -9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.684 -0.381 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.909 -2.271 -8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.839 -1.712 -10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.430 -3.504 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.232 -2.076 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.300 -2.618 -9.004 1.00 0.00 H new ATOM 227 N THR A 17 -0.733 -1.086 -9.362 1.00 0.00 N ATOM 228 CA THR A 17 -1.290 -2.414 -9.139 1.00 0.00 C ATOM 229 C THR A 17 -0.227 -3.375 -8.618 1.00 0.00 C ATOM 230 O THR A 17 0.878 -3.444 -9.156 1.00 0.00 O ATOM 231 CB THR A 17 -1.901 -2.991 -10.429 1.00 0.00 C ATOM 232 OG1 THR A 17 -2.903 -2.103 -10.937 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.512 -4.360 -10.173 1.00 0.00 C ATOM 0 H THR A 17 -0.689 -0.806 -10.342 1.00 0.00 H new ATOM 0 HA THR A 17 -2.076 -2.306 -8.391 1.00 0.00 H new ATOM 0 HB THR A 17 -1.105 -3.098 -11.165 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.285 -2.477 -11.758 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.937 -4.747 -11.099 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.740 -5.042 -9.815 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.297 -4.273 -9.421 1.00 0.00 H new ATOM 241 N MET A 18 -0.569 -4.116 -7.570 1.00 0.00 N ATOM 242 CA MET A 18 0.356 -5.076 -6.978 1.00 0.00 C ATOM 243 C MET A 18 -0.262 -6.469 -6.930 1.00 0.00 C ATOM 244 O MET A 18 -1.286 -6.681 -6.281 1.00 0.00 O ATOM 245 CB MET A 18 0.753 -4.632 -5.569 1.00 0.00 C ATOM 246 CG MET A 18 1.761 -3.494 -5.551 1.00 0.00 C ATOM 247 SD MET A 18 2.605 -3.338 -3.965 1.00 0.00 S ATOM 248 CE MET A 18 3.868 -4.597 -4.129 1.00 0.00 C ATOM 0 H MET A 18 -1.480 -4.071 -7.113 1.00 0.00 H new ATOM 0 HA MET A 18 1.248 -5.116 -7.603 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.142 -4.322 -5.029 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.170 -5.484 -5.032 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.499 -3.655 -6.337 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.251 -2.558 -5.780 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.418 -4.685 -3.192 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.400 -5.553 -4.366 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.555 -4.321 -4.929 1.00 0.00 H new ATOM 258 N GLU A 19 0.365 -7.415 -7.622 1.00 0.00 N ATOM 259 CA GLU A 19 -0.126 -8.788 -7.657 1.00 0.00 C ATOM 260 C GLU A 19 0.755 -9.703 -6.812 1.00 0.00 C ATOM 261 O GLU A 19 1.975 -9.734 -6.976 1.00 0.00 O ATOM 262 CB GLU A 19 -0.175 -9.298 -9.099 1.00 0.00 C ATOM 263 CG GLU A 19 -0.730 -10.707 -9.227 1.00 0.00 C ATOM 264 CD GLU A 19 0.297 -11.771 -8.893 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.426 -11.693 -9.423 1.00 0.00 O ATOM 266 OE2 GLU A 19 -0.027 -12.681 -8.102 1.00 0.00 O ATOM 0 H GLU A 19 1.213 -7.256 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.133 -8.797 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.786 -8.620 -9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.831 -9.273 -9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.589 -10.816 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.089 -10.861 -10.244 1.00 0.00 H new ATOM 273 N VAL A 20 0.128 -10.447 -5.906 1.00 0.00 N ATOM 274 CA VAL A 20 0.854 -11.364 -5.035 1.00 0.00 C ATOM 275 C VAL A 20 0.103 -12.681 -4.876 1.00 0.00 C ATOM 276 O VAL A 20 -1.071 -12.786 -5.233 1.00 0.00 O ATOM 277 CB VAL A 20 1.088 -10.748 -3.643 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.021 -9.550 -3.739 1.00 0.00 C ATOM 279 CG2 VAL A 20 -0.236 -10.353 -3.006 1.00 0.00 C ATOM 0 H VAL A 20 -0.881 -10.433 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 20 1.818 -11.553 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 20 1.561 -11.497 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.175 -9.128 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.979 -9.867 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.579 -8.795 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.052 -9.920 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.739 -9.620 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.867 -11.236 -2.901 1.00 0.00 H new ATOM 289 N LEU A 21 0.787 -13.684 -4.338 1.00 0.00 N ATOM 290 CA LEU A 21 0.185 -14.996 -4.130 1.00 0.00 C ATOM 291 C LEU A 21 -0.387 -15.117 -2.721 1.00 0.00 C ATOM 292 O LEU A 21 0.270 -14.762 -1.743 1.00 0.00 O ATOM 293 CB LEU A 21 1.220 -16.098 -4.368 1.00 0.00 C ATOM 294 CG LEU A 21 0.662 -17.487 -4.679 1.00 0.00 C ATOM 295 CD1 LEU A 21 0.216 -17.570 -6.131 1.00 0.00 C ATOM 296 CD2 LEU A 21 1.699 -18.558 -4.376 1.00 0.00 C ATOM 0 H LEU A 21 1.759 -13.614 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.630 -15.110 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.862 -15.793 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.852 -16.172 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.206 -17.660 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.178 -18.566 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.560 -16.828 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.067 -17.376 -6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.285 -19.540 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.586 -18.388 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.970 -18.514 -3.321 1.00 0.00 H new ATOM 308 N GLU A 22 -1.613 -15.620 -2.627 1.00 0.00 N ATOM 309 CA GLU A 22 -2.272 -15.788 -1.337 1.00 0.00 C ATOM 310 C GLU A 22 -1.290 -16.300 -0.287 1.00 0.00 C ATOM 311 O GLU A 22 -0.850 -17.448 -0.340 1.00 0.00 O ATOM 312 CB GLU A 22 -3.451 -16.756 -1.463 1.00 0.00 C ATOM 313 CG GLU A 22 -4.107 -17.093 -0.135 1.00 0.00 C ATOM 314 CD GLU A 22 -5.019 -18.301 -0.225 1.00 0.00 C ATOM 315 OE1 GLU A 22 -6.129 -18.166 -0.781 1.00 0.00 O ATOM 316 OE2 GLU A 22 -4.624 -19.381 0.261 1.00 0.00 O ATOM 0 H GLU A 22 -2.170 -15.918 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.643 -14.814 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.198 -16.321 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.105 -17.677 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.334 -17.281 0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.681 -16.234 0.211 1.00 0.00 H new ATOM 323 N GLY A 23 -0.951 -15.438 0.667 1.00 0.00 N ATOM 324 CA GLY A 23 -0.023 -15.820 1.716 1.00 0.00 C ATOM 325 C GLY A 23 1.366 -15.254 1.495 1.00 0.00 C ATOM 326 O GLY A 23 2.361 -15.872 1.873 1.00 0.00 O ATOM 0 H GLY A 23 -1.302 -14.483 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.404 -15.475 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.035 -16.907 1.768 1.00 0.00 H new ATOM 330 N GLU A 24 1.434 -14.077 0.880 1.00 0.00 N ATOM 331 CA GLU A 24 2.712 -13.431 0.608 1.00 0.00 C ATOM 332 C GLU A 24 2.768 -12.047 1.247 1.00 0.00 C ATOM 333 O GLU A 24 1.813 -11.607 1.888 1.00 0.00 O ATOM 334 CB GLU A 24 2.940 -13.317 -0.901 1.00 0.00 C ATOM 335 CG GLU A 24 3.051 -14.660 -1.603 1.00 0.00 C ATOM 336 CD GLU A 24 4.463 -15.212 -1.587 1.00 0.00 C ATOM 337 OE1 GLU A 24 4.807 -15.936 -0.630 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.224 -14.919 -2.533 1.00 0.00 O ATOM 0 H GLU A 24 0.619 -13.552 0.561 1.00 0.00 H new ATOM 0 HA GLU A 24 3.501 -14.046 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.119 -12.753 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.851 -12.746 -1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.381 -15.373 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.718 -14.555 -2.635 1.00 0.00 H new ATOM 345 N SER A 25 3.895 -11.365 1.069 1.00 0.00 N ATOM 346 CA SER A 25 4.080 -10.032 1.632 1.00 0.00 C ATOM 347 C SER A 25 4.331 -9.007 0.531 1.00 0.00 C ATOM 348 O SER A 25 5.302 -9.112 -0.220 1.00 0.00 O ATOM 349 CB SER A 25 5.246 -10.030 2.622 1.00 0.00 C ATOM 350 OG SER A 25 6.427 -10.530 2.020 1.00 0.00 O ATOM 0 H SER A 25 4.694 -11.713 0.539 1.00 0.00 H new ATOM 0 HA SER A 25 3.166 -9.757 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.419 -9.016 2.983 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.991 -10.638 3.490 1.00 0.00 H new ATOM 0 HG SER A 25 6.397 -10.366 1.054 1.00 0.00 H new ATOM 356 N CYS A 26 3.450 -8.017 0.440 1.00 0.00 N ATOM 357 CA CYS A 26 3.574 -6.972 -0.570 1.00 0.00 C ATOM 358 C CYS A 26 3.757 -5.605 0.082 1.00 0.00 C ATOM 359 O CYS A 26 3.028 -5.244 1.005 1.00 0.00 O ATOM 360 CB CYS A 26 2.341 -6.959 -1.474 1.00 0.00 C ATOM 361 SG CYS A 26 0.826 -6.418 -0.649 1.00 0.00 S ATOM 0 H CYS A 26 2.642 -7.916 1.054 1.00 0.00 H new ATOM 0 HA CYS A 26 4.456 -7.187 -1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.533 -6.303 -2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.186 -7.961 -1.874 1.00 0.00 H new ATOM 0 HG CYS A 26 1.120 -5.550 0.273 1.00 0.00 H new ATOM 367 N SER A 27 4.737 -4.850 -0.405 1.00 0.00 N ATOM 368 CA SER A 27 5.020 -3.525 0.134 1.00 0.00 C ATOM 369 C SER A 27 4.756 -2.446 -0.912 1.00 0.00 C ATOM 370 O SER A 27 5.541 -2.263 -1.844 1.00 0.00 O ATOM 371 CB SER A 27 6.471 -3.444 0.611 1.00 0.00 C ATOM 372 OG SER A 27 7.373 -3.714 -0.448 1.00 0.00 O ATOM 0 H SER A 27 5.348 -5.133 -1.171 1.00 0.00 H new ATOM 0 HA SER A 27 4.357 -3.356 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.669 -2.452 1.017 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.631 -4.157 1.420 1.00 0.00 H new ATOM 0 HG SER A 27 7.099 -3.215 -1.246 1.00 0.00 H new ATOM 378 N PHE A 28 3.646 -1.734 -0.752 1.00 0.00 N ATOM 379 CA PHE A 28 3.277 -0.673 -1.682 1.00 0.00 C ATOM 380 C PHE A 28 4.193 0.537 -1.518 1.00 0.00 C ATOM 381 O PHE A 28 4.677 0.817 -0.423 1.00 0.00 O ATOM 382 CB PHE A 28 1.821 -0.258 -1.463 1.00 0.00 C ATOM 383 CG PHE A 28 0.830 -1.174 -2.122 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.402 -2.327 -1.484 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.327 -0.883 -3.380 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.508 -3.173 -2.089 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.584 -1.725 -3.990 1.00 0.00 C ATOM 388 CZ PHE A 28 -1.003 -2.871 -3.343 1.00 0.00 C ATOM 0 H PHE A 28 2.986 -1.872 0.013 1.00 0.00 H new ATOM 0 HA PHE A 28 3.390 -1.057 -2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.618 -0.226 -0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.679 0.753 -1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.784 -2.567 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.651 0.012 -3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.832 -4.070 -1.582 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.968 -1.487 -4.971 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.716 -3.530 -3.816 1.00 0.00 H new ATOM 398 N GLU A 29 4.425 1.248 -2.617 1.00 0.00 N ATOM 399 CA GLU A 29 5.284 2.427 -2.596 1.00 0.00 C ATOM 400 C GLU A 29 4.510 3.671 -3.022 1.00 0.00 C ATOM 401 O GLU A 29 3.724 3.632 -3.969 1.00 0.00 O ATOM 402 CB GLU A 29 6.490 2.223 -3.515 1.00 0.00 C ATOM 403 CG GLU A 29 7.308 0.987 -3.181 1.00 0.00 C ATOM 404 CD GLU A 29 8.260 0.599 -4.295 1.00 0.00 C ATOM 405 OE1 GLU A 29 7.778 0.148 -5.356 1.00 0.00 O ATOM 406 OE2 GLU A 29 9.485 0.746 -4.108 1.00 0.00 O ATOM 0 H GLU A 29 4.031 1.029 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 29 5.636 2.571 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.143 2.151 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.133 3.101 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.877 1.168 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.635 0.154 -2.977 1.00 0.00 H new ATOM 413 N CYS A 30 4.739 4.773 -2.316 1.00 0.00 N ATOM 414 CA CYS A 30 4.062 6.029 -2.619 1.00 0.00 C ATOM 415 C CYS A 30 4.958 7.221 -2.295 1.00 0.00 C ATOM 416 O CYS A 30 5.388 7.395 -1.154 1.00 0.00 O ATOM 417 CB CYS A 30 2.754 6.131 -1.834 1.00 0.00 C ATOM 418 SG CYS A 30 1.811 7.638 -2.162 1.00 0.00 S ATOM 0 H CYS A 30 5.388 4.822 -1.530 1.00 0.00 H new ATOM 0 HA CYS A 30 3.838 6.044 -3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.132 5.268 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.977 6.080 -0.768 1.00 0.00 H new ATOM 0 HG CYS A 30 1.044 7.900 -1.146 1.00 0.00 H new ATOM 424 N VAL A 31 5.237 8.037 -3.306 1.00 0.00 N ATOM 425 CA VAL A 31 6.082 9.212 -3.129 1.00 0.00 C ATOM 426 C VAL A 31 5.284 10.497 -3.318 1.00 0.00 C ATOM 427 O VAL A 31 4.434 10.588 -4.205 1.00 0.00 O ATOM 428 CB VAL A 31 7.266 9.206 -4.115 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.115 10.455 -3.938 1.00 0.00 C ATOM 430 CG2 VAL A 31 8.105 7.950 -3.931 1.00 0.00 C ATOM 0 H VAL A 31 4.890 7.906 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 31 6.467 9.174 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 31 6.871 9.206 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.946 10.433 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.505 11.339 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.503 10.490 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.937 7.962 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.492 7.917 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.488 7.070 -4.113 1.00 0.00 H new ATOM 440 N LEU A 32 5.563 11.489 -2.480 1.00 0.00 N ATOM 441 CA LEU A 32 4.871 12.771 -2.555 1.00 0.00 C ATOM 442 C LEU A 32 5.817 13.874 -3.019 1.00 0.00 C ATOM 443 O LEU A 32 6.957 13.960 -2.562 1.00 0.00 O ATOM 444 CB LEU A 32 4.276 13.133 -1.193 1.00 0.00 C ATOM 445 CG LEU A 32 3.186 12.198 -0.667 1.00 0.00 C ATOM 446 CD1 LEU A 32 2.856 12.524 0.781 1.00 0.00 C ATOM 447 CD2 LEU A 32 1.939 12.293 -1.535 1.00 0.00 C ATOM 0 H LEU A 32 6.263 11.430 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 32 4.065 12.679 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.084 13.164 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.864 14.140 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 32 3.559 11.175 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.079 11.849 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.750 12.405 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.503 13.553 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.173 11.621 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.564 13.316 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.185 12.009 -2.558 1.00 0.00 H new ATOM 459 N SER A 33 5.336 14.718 -3.926 1.00 0.00 N ATOM 460 CA SER A 33 6.139 15.815 -4.453 1.00 0.00 C ATOM 461 C SER A 33 7.045 16.393 -3.370 1.00 0.00 C ATOM 462 O SER A 33 8.220 16.673 -3.611 1.00 0.00 O ATOM 463 CB SER A 33 5.234 16.913 -5.016 1.00 0.00 C ATOM 464 OG SER A 33 5.983 18.068 -5.352 1.00 0.00 O ATOM 0 H SER A 33 4.393 14.663 -4.311 1.00 0.00 H new ATOM 0 HA SER A 33 6.764 15.423 -5.255 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.714 16.543 -5.900 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.471 17.171 -4.282 1.00 0.00 H new ATOM 0 HG SER A 33 5.383 18.754 -5.711 1.00 0.00 H new ATOM 470 N HIS A 34 6.491 16.569 -2.175 1.00 0.00 N ATOM 471 CA HIS A 34 7.248 17.113 -1.053 1.00 0.00 C ATOM 472 C HIS A 34 7.249 16.142 0.124 1.00 0.00 C ATOM 473 O HIS A 34 6.572 15.115 0.093 1.00 0.00 O ATOM 474 CB HIS A 34 6.664 18.458 -0.620 1.00 0.00 C ATOM 475 CG HIS A 34 7.202 19.621 -1.394 1.00 0.00 C ATOM 476 ND1 HIS A 34 6.560 20.840 -1.464 1.00 0.00 N ATOM 477 CD2 HIS A 34 8.329 19.749 -2.133 1.00 0.00 C ATOM 478 CE1 HIS A 34 7.268 21.666 -2.214 1.00 0.00 C ATOM 479 NE2 HIS A 34 8.347 21.028 -2.632 1.00 0.00 N ATOM 0 H HIS A 34 5.520 16.343 -1.958 1.00 0.00 H new ATOM 0 HA HIS A 34 8.277 17.261 -1.379 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.580 18.427 -0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.870 18.610 0.439 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.076 18.986 -2.299 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.009 22.688 -2.446 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.075 21.422 -3.228 1.00 0.00 H new ATOM 488 N GLU A 35 8.012 16.476 1.160 1.00 0.00 N ATOM 489 CA GLU A 35 8.101 15.632 2.346 1.00 0.00 C ATOM 490 C GLU A 35 6.749 15.535 3.047 1.00 0.00 C ATOM 491 O GLU A 35 6.533 14.658 3.883 1.00 0.00 O ATOM 492 CB GLU A 35 9.151 16.182 3.313 1.00 0.00 C ATOM 493 CG GLU A 35 10.533 16.323 2.696 1.00 0.00 C ATOM 494 CD GLU A 35 11.638 16.330 3.735 1.00 0.00 C ATOM 495 OE1 GLU A 35 11.694 15.382 4.546 1.00 0.00 O ATOM 496 OE2 GLU A 35 12.445 17.283 3.736 1.00 0.00 O ATOM 0 H GLU A 35 8.577 17.324 1.202 1.00 0.00 H new ATOM 0 HA GLU A 35 8.399 14.633 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.823 17.156 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.215 15.524 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.701 15.503 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.576 17.246 2.119 1.00 0.00 H new ATOM 503 N SER A 36 5.843 16.443 2.699 1.00 0.00 N ATOM 504 CA SER A 36 4.513 16.463 3.298 1.00 0.00 C ATOM 505 C SER A 36 4.588 16.193 4.797 1.00 0.00 C ATOM 506 O SER A 36 3.806 15.411 5.338 1.00 0.00 O ATOM 507 CB SER A 36 3.612 15.425 2.625 1.00 0.00 C ATOM 508 OG SER A 36 2.256 15.837 2.647 1.00 0.00 O ATOM 0 H SER A 36 6.005 17.174 2.006 1.00 0.00 H new ATOM 0 HA SER A 36 4.088 17.455 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.933 15.274 1.594 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.713 14.466 3.134 1.00 0.00 H new ATOM 0 HG SER A 36 1.701 15.158 2.210 1.00 0.00 H new ATOM 514 N ALA A 37 5.535 16.845 5.463 1.00 0.00 N ATOM 515 CA ALA A 37 5.712 16.677 6.900 1.00 0.00 C ATOM 516 C ALA A 37 4.591 17.362 7.675 1.00 0.00 C ATOM 517 O ALA A 37 4.059 16.807 8.636 1.00 0.00 O ATOM 518 CB ALA A 37 7.065 17.223 7.333 1.00 0.00 C ATOM 0 H ALA A 37 6.192 17.495 5.030 1.00 0.00 H new ATOM 0 HA ALA A 37 5.674 15.611 7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.183 17.091 8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.858 16.686 6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.124 18.284 7.089 1.00 0.00 H new ATOM 524 N SER A 38 4.238 18.571 7.251 1.00 0.00 N ATOM 525 CA SER A 38 3.183 19.334 7.909 1.00 0.00 C ATOM 526 C SER A 38 2.078 18.410 8.412 1.00 0.00 C ATOM 527 O SER A 38 1.792 18.361 9.608 1.00 0.00 O ATOM 528 CB SER A 38 2.599 20.370 6.947 1.00 0.00 C ATOM 529 OG SER A 38 2.073 21.481 7.652 1.00 0.00 O ATOM 0 H SER A 38 4.667 19.043 6.455 1.00 0.00 H new ATOM 0 HA SER A 38 3.620 19.849 8.765 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.372 20.706 6.257 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.813 19.911 6.347 1.00 0.00 H new ATOM 0 HG SER A 38 1.707 22.130 7.015 1.00 0.00 H new ATOM 535 N ASP A 39 1.461 17.680 7.490 1.00 0.00 N ATOM 536 CA ASP A 39 0.388 16.756 7.839 1.00 0.00 C ATOM 537 C ASP A 39 0.838 15.309 7.665 1.00 0.00 C ATOM 538 O ASP A 39 1.597 14.974 6.755 1.00 0.00 O ATOM 539 CB ASP A 39 -0.846 17.026 6.976 1.00 0.00 C ATOM 540 CG ASP A 39 -1.395 18.426 7.172 1.00 0.00 C ATOM 541 OD1 ASP A 39 -1.867 18.728 8.288 1.00 0.00 O ATOM 542 OD2 ASP A 39 -1.351 19.219 6.209 1.00 0.00 O ATOM 0 H ASP A 39 1.685 17.710 6.495 1.00 0.00 H new ATOM 0 HA ASP A 39 0.132 16.914 8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.590 16.883 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.621 16.298 7.217 1.00 0.00 H new ATOM 547 N PRO A 40 0.362 14.429 8.559 1.00 0.00 N ATOM 548 CA PRO A 40 0.703 13.004 8.526 1.00 0.00 C ATOM 549 C PRO A 40 0.075 12.285 7.336 1.00 0.00 C ATOM 550 O PRO A 40 -0.764 12.846 6.632 1.00 0.00 O ATOM 551 CB PRO A 40 0.125 12.471 9.839 1.00 0.00 C ATOM 552 CG PRO A 40 -0.981 13.410 10.176 1.00 0.00 C ATOM 553 CD PRO A 40 -0.547 14.758 9.669 1.00 0.00 C ATOM 0 HA PRO A 40 1.776 12.844 8.421 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.243 11.451 9.724 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.880 12.451 10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.914 13.098 9.707 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.158 13.436 11.251 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.396 15.352 9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.042 15.335 10.444 1.00 0.00 H new ATOM 561 N ALA A 41 0.487 11.040 7.119 1.00 0.00 N ATOM 562 CA ALA A 41 -0.037 10.244 6.016 1.00 0.00 C ATOM 563 C ALA A 41 -0.865 9.071 6.531 1.00 0.00 C ATOM 564 O ALA A 41 -0.631 8.570 7.630 1.00 0.00 O ATOM 565 CB ALA A 41 1.100 9.745 5.138 1.00 0.00 C ATOM 0 H ALA A 41 1.182 10.561 7.692 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.689 10.881 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.694 9.152 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.648 10.596 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.775 9.129 5.732 1.00 0.00 H new ATOM 571 N MET A 42 -1.832 8.638 5.729 1.00 0.00 N ATOM 572 CA MET A 42 -2.694 7.523 6.104 1.00 0.00 C ATOM 573 C MET A 42 -2.604 6.398 5.079 1.00 0.00 C ATOM 574 O MET A 42 -2.292 6.633 3.911 1.00 0.00 O ATOM 575 CB MET A 42 -4.143 7.993 6.238 1.00 0.00 C ATOM 576 CG MET A 42 -5.017 7.047 7.044 1.00 0.00 C ATOM 577 SD MET A 42 -4.823 7.267 8.823 1.00 0.00 S ATOM 578 CE MET A 42 -4.468 5.588 9.336 1.00 0.00 C ATOM 0 H MET A 42 -2.038 9.042 4.815 1.00 0.00 H new ATOM 0 HA MET A 42 -2.354 7.141 7.067 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.155 8.976 6.709 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.571 8.111 5.243 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.061 7.205 6.774 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.772 6.018 6.780 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.866 5.422 10.337 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.932 4.889 8.640 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.390 5.430 9.344 1.00 0.00 H new ATOM 588 N TRP A 43 -2.879 5.176 5.522 1.00 0.00 N ATOM 589 CA TRP A 43 -2.829 4.015 4.641 1.00 0.00 C ATOM 590 C TRP A 43 -4.098 3.179 4.770 1.00 0.00 C ATOM 591 O TRP A 43 -4.395 2.642 5.838 1.00 0.00 O ATOM 592 CB TRP A 43 -1.604 3.158 4.963 1.00 0.00 C ATOM 593 CG TRP A 43 -0.334 3.691 4.372 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.546 4.552 4.963 1.00 0.00 C ATOM 595 CD2 TRP A 43 0.195 3.400 3.074 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.592 4.814 4.110 1.00 0.00 N ATOM 597 CE2 TRP A 43 1.400 4.119 2.945 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.230 2.602 2.009 1.00 0.00 C ATOM 599 CZ2 TRP A 43 2.181 4.062 1.794 1.00 0.00 C ATOM 600 CZ3 TRP A 43 0.546 2.547 0.867 1.00 0.00 C ATOM 601 CH2 TRP A 43 1.741 3.272 0.767 1.00 0.00 C ATOM 0 H TRP A 43 -3.139 4.964 6.485 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.754 4.372 3.614 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.492 3.089 6.045 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.771 2.146 4.595 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.436 4.966 5.954 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.382 5.426 4.312 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.149 2.038 2.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.101 4.621 1.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.226 1.935 0.037 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.326 3.206 -0.138 1.00 0.00 H new ATOM 612 N THR A 44 -4.845 3.071 3.676 1.00 0.00 N ATOM 613 CA THR A 44 -6.082 2.301 3.667 1.00 0.00 C ATOM 614 C THR A 44 -6.051 1.223 2.590 1.00 0.00 C ATOM 615 O THR A 44 -6.200 1.512 1.403 1.00 0.00 O ATOM 616 CB THR A 44 -7.306 3.207 3.435 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.121 3.986 2.248 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.529 4.130 4.623 1.00 0.00 C ATOM 0 H THR A 44 -4.614 3.508 2.784 1.00 0.00 H new ATOM 0 HA THR A 44 -6.168 1.830 4.646 1.00 0.00 H new ATOM 0 HB THR A 44 -8.184 2.571 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.423 3.577 1.694 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.399 4.760 4.436 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.699 3.534 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.650 4.758 4.766 1.00 0.00 H new ATOM 626 N VAL A 45 -5.857 -0.023 3.012 1.00 0.00 N ATOM 627 CA VAL A 45 -5.808 -1.146 2.084 1.00 0.00 C ATOM 628 C VAL A 45 -7.114 -1.933 2.104 1.00 0.00 C ATOM 629 O VAL A 45 -7.529 -2.441 3.145 1.00 0.00 O ATOM 630 CB VAL A 45 -4.643 -2.097 2.414 1.00 0.00 C ATOM 631 CG1 VAL A 45 -4.699 -2.524 3.873 1.00 0.00 C ATOM 632 CG2 VAL A 45 -4.668 -3.309 1.495 1.00 0.00 C ATOM 0 H VAL A 45 -5.731 -0.280 3.991 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.654 -0.728 1.089 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.706 -1.565 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.868 -3.196 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.629 -1.644 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.640 -3.038 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.838 -3.970 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.609 -3.844 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.575 -2.982 0.459 1.00 0.00 H new ATOM 642 N GLY A 46 -7.758 -2.030 0.945 1.00 0.00 N ATOM 643 CA GLY A 46 -9.011 -2.757 0.851 1.00 0.00 C ATOM 644 C GLY A 46 -10.202 -1.915 1.263 1.00 0.00 C ATOM 645 O GLY A 46 -11.271 -2.002 0.660 1.00 0.00 O ATOM 0 H GLY A 46 -7.435 -1.618 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.151 -3.102 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.961 -3.644 1.483 1.00 0.00 H new ATOM 649 N GLY A 47 -10.019 -1.098 2.296 1.00 0.00 N ATOM 650 CA GLY A 47 -11.097 -0.250 2.771 1.00 0.00 C ATOM 651 C GLY A 47 -11.138 -0.158 4.283 1.00 0.00 C ATOM 652 O GLY A 47 -12.210 -0.033 4.877 1.00 0.00 O ATOM 0 H GLY A 47 -9.144 -1.008 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.980 0.750 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.048 -0.639 2.408 1.00 0.00 H new ATOM 656 N LYS A 48 -9.969 -0.221 4.910 1.00 0.00 N ATOM 657 CA LYS A 48 -9.874 -0.144 6.363 1.00 0.00 C ATOM 658 C LYS A 48 -8.626 0.624 6.788 1.00 0.00 C ATOM 659 O LYS A 48 -7.701 0.812 5.996 1.00 0.00 O ATOM 660 CB LYS A 48 -9.851 -1.550 6.969 1.00 0.00 C ATOM 661 CG LYS A 48 -11.072 -2.382 6.619 1.00 0.00 C ATOM 662 CD LYS A 48 -12.270 -2.001 7.474 1.00 0.00 C ATOM 663 CE LYS A 48 -13.453 -2.921 7.217 1.00 0.00 C ATOM 664 NZ LYS A 48 -14.341 -3.029 8.407 1.00 0.00 N ATOM 0 H LYS A 48 -9.073 -0.325 4.434 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.750 0.390 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.957 -2.070 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.776 -1.468 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.317 -2.245 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.845 -3.439 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.995 -2.046 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.556 -0.971 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.026 -2.547 6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.090 -3.912 6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.135 -3.665 8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.801 -3.410 9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.708 -2.088 8.653 1.00 0.00 H new ATOM 678 N THR A 49 -8.605 1.064 8.042 1.00 0.00 N ATOM 679 CA THR A 49 -7.470 1.810 8.571 1.00 0.00 C ATOM 680 C THR A 49 -6.451 0.878 9.216 1.00 0.00 C ATOM 681 O THR A 49 -6.775 0.132 10.140 1.00 0.00 O ATOM 682 CB THR A 49 -7.921 2.856 9.608 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.914 3.716 9.038 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.740 3.686 10.089 1.00 0.00 C ATOM 0 H THR A 49 -9.361 0.917 8.710 1.00 0.00 H new ATOM 0 HA THR A 49 -7.006 2.321 7.727 1.00 0.00 H new ATOM 0 HB THR A 49 -8.346 2.328 10.462 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.196 4.377 9.705 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.083 4.418 10.820 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.999 3.032 10.550 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.290 4.204 9.242 1.00 0.00 H new ATOM 692 N VAL A 50 -5.217 0.926 8.723 1.00 0.00 N ATOM 693 CA VAL A 50 -4.149 0.087 9.252 1.00 0.00 C ATOM 694 C VAL A 50 -3.019 0.933 9.827 1.00 0.00 C ATOM 695 O VAL A 50 -2.552 0.691 10.939 1.00 0.00 O ATOM 696 CB VAL A 50 -3.578 -0.845 8.168 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.653 -1.791 7.655 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.983 -0.033 7.027 1.00 0.00 C ATOM 0 H VAL A 50 -4.933 1.538 7.958 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.586 -0.518 10.046 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.783 -1.444 8.612 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.230 -2.442 6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.028 -2.397 8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.472 -1.213 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.584 -0.708 6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.757 0.593 6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.181 0.598 7.409 1.00 0.00 H new ATOM 708 N GLY A 51 -2.584 1.928 9.060 1.00 0.00 N ATOM 709 CA GLY A 51 -1.511 2.797 9.510 1.00 0.00 C ATOM 710 C GLY A 51 -0.480 2.061 10.342 1.00 0.00 C ATOM 711 O GLY A 51 0.206 1.167 9.845 1.00 0.00 O ATOM 0 H GLY A 51 -2.955 2.148 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.023 3.244 8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.931 3.614 10.097 1.00 0.00 H new ATOM 715 N SER A 52 -0.367 2.437 11.612 1.00 0.00 N ATOM 716 CA SER A 52 0.593 1.810 12.513 1.00 0.00 C ATOM 717 C SER A 52 -0.008 0.571 13.169 1.00 0.00 C ATOM 718 O SER A 52 -0.917 0.670 13.992 1.00 0.00 O ATOM 719 CB SER A 52 1.040 2.804 13.587 1.00 0.00 C ATOM 720 OG SER A 52 -0.058 3.235 14.371 1.00 0.00 O ATOM 0 H SER A 52 -0.929 3.173 12.040 1.00 0.00 H new ATOM 0 HA SER A 52 1.460 1.505 11.927 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.789 2.339 14.228 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.514 3.665 13.116 1.00 0.00 H new ATOM 0 HG SER A 52 -0.675 2.486 14.510 1.00 0.00 H new ATOM 726 N SER A 53 0.508 -0.597 12.797 1.00 0.00 N ATOM 727 CA SER A 53 0.021 -1.857 13.346 1.00 0.00 C ATOM 728 C SER A 53 1.094 -2.938 13.257 1.00 0.00 C ATOM 729 O SER A 53 1.998 -2.865 12.425 1.00 0.00 O ATOM 730 CB SER A 53 -1.237 -2.309 12.602 1.00 0.00 C ATOM 731 OG SER A 53 -2.402 -1.757 13.190 1.00 0.00 O ATOM 0 H SER A 53 1.263 -0.696 12.118 1.00 0.00 H new ATOM 0 HA SER A 53 -0.224 -1.698 14.396 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.174 -2.005 11.557 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.300 -3.397 12.615 1.00 0.00 H new ATOM 0 HG SER A 53 -2.196 -0.872 13.556 1.00 0.00 H new ATOM 737 N SER A 54 0.986 -3.942 14.122 1.00 0.00 N ATOM 738 CA SER A 54 1.948 -5.038 14.145 1.00 0.00 C ATOM 739 C SER A 54 2.123 -5.637 12.753 1.00 0.00 C ATOM 740 O SER A 54 3.244 -5.792 12.268 1.00 0.00 O ATOM 741 CB SER A 54 1.496 -6.121 15.126 1.00 0.00 C ATOM 742 OG SER A 54 1.396 -5.607 16.443 1.00 0.00 O ATOM 0 H SER A 54 0.242 -4.019 14.816 1.00 0.00 H new ATOM 0 HA SER A 54 2.908 -4.639 14.473 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.531 -6.519 14.813 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.203 -6.950 15.109 1.00 0.00 H new ATOM 0 HG SER A 54 1.104 -6.318 17.050 1.00 0.00 H new ATOM 748 N ARG A 55 1.006 -5.972 12.116 1.00 0.00 N ATOM 749 CA ARG A 55 1.034 -6.556 10.780 1.00 0.00 C ATOM 750 C ARG A 55 1.413 -5.509 9.737 1.00 0.00 C ATOM 751 O ARG A 55 2.406 -5.658 9.024 1.00 0.00 O ATOM 752 CB ARG A 55 -0.328 -7.163 10.437 1.00 0.00 C ATOM 753 CG ARG A 55 -0.626 -8.452 11.183 1.00 0.00 C ATOM 754 CD ARG A 55 -1.727 -9.249 10.502 1.00 0.00 C ATOM 755 NE ARG A 55 -3.056 -8.841 10.950 1.00 0.00 N ATOM 756 CZ ARG A 55 -3.642 -9.319 12.042 1.00 0.00 C ATOM 757 NH1 ARG A 55 -3.019 -10.216 12.794 1.00 0.00 N ATOM 758 NH2 ARG A 55 -4.853 -8.898 12.384 1.00 0.00 N ATOM 0 H ARG A 55 0.070 -5.849 12.503 1.00 0.00 H new ATOM 0 HA ARG A 55 1.788 -7.343 10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.108 -6.435 10.661 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.371 -7.356 9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.279 -9.057 11.242 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.922 -8.221 12.206 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.653 -9.120 9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.586 -10.310 10.706 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.562 -8.151 10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.088 -10.541 12.534 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.471 -10.581 13.632 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.334 -8.207 11.808 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.303 -9.265 13.223 1.00 0.00 H new ATOM 772 N PHE A 56 0.616 -4.449 9.653 1.00 0.00 N ATOM 773 CA PHE A 56 0.868 -3.377 8.696 1.00 0.00 C ATOM 774 C PHE A 56 1.753 -2.297 9.310 1.00 0.00 C ATOM 775 O PHE A 56 1.311 -1.530 10.166 1.00 0.00 O ATOM 776 CB PHE A 56 -0.453 -2.764 8.227 1.00 0.00 C ATOM 777 CG PHE A 56 -1.406 -3.767 7.643 1.00 0.00 C ATOM 778 CD1 PHE A 56 -2.070 -4.669 8.459 1.00 0.00 C ATOM 779 CD2 PHE A 56 -1.637 -3.810 6.277 1.00 0.00 C ATOM 780 CE1 PHE A 56 -2.948 -5.593 7.925 1.00 0.00 C ATOM 781 CE2 PHE A 56 -2.514 -4.732 5.737 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.169 -5.626 6.562 1.00 0.00 C ATOM 0 H PHE A 56 -0.209 -4.309 10.236 1.00 0.00 H new ATOM 0 HA PHE A 56 1.388 -3.804 7.838 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.933 -2.267 9.070 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.244 -1.997 7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.899 -4.650 9.525 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.126 -3.115 5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.461 -6.289 8.573 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.687 -4.754 4.671 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.852 -6.349 6.142 1.00 0.00 H new ATOM 792 N GLN A 57 3.005 -2.243 8.867 1.00 0.00 N ATOM 793 CA GLN A 57 3.953 -1.258 9.373 1.00 0.00 C ATOM 794 C GLN A 57 4.245 -0.193 8.322 1.00 0.00 C ATOM 795 O GLN A 57 5.202 -0.307 7.557 1.00 0.00 O ATOM 796 CB GLN A 57 5.254 -1.942 9.798 1.00 0.00 C ATOM 797 CG GLN A 57 6.351 -0.969 10.196 1.00 0.00 C ATOM 798 CD GLN A 57 6.094 -0.318 11.541 1.00 0.00 C ATOM 799 OE1 GLN A 57 5.024 -0.482 12.129 1.00 0.00 O ATOM 800 NE2 GLN A 57 7.075 0.426 12.037 1.00 0.00 N ATOM 0 H GLN A 57 3.386 -2.870 8.159 1.00 0.00 H new ATOM 0 HA GLN A 57 3.505 -0.773 10.241 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.048 -2.607 10.637 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.612 -2.565 8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.305 -1.496 10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.440 -0.195 9.433 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.945 0.535 11.517 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.958 0.888 12.939 1.00 0.00 H new ATOM 809 N ALA A 58 3.413 0.843 8.290 1.00 0.00 N ATOM 810 CA ALA A 58 3.582 1.930 7.333 1.00 0.00 C ATOM 811 C ALA A 58 4.806 2.774 7.673 1.00 0.00 C ATOM 812 O ALA A 58 4.700 3.794 8.355 1.00 0.00 O ATOM 813 CB ALA A 58 2.334 2.798 7.294 1.00 0.00 C ATOM 0 H ALA A 58 2.615 0.952 8.916 1.00 0.00 H new ATOM 0 HA ALA A 58 3.737 1.492 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.475 3.605 6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.478 2.192 6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.153 3.220 8.283 1.00 0.00 H new ATOM 819 N THR A 59 5.968 2.343 7.194 1.00 0.00 N ATOM 820 CA THR A 59 7.212 3.058 7.449 1.00 0.00 C ATOM 821 C THR A 59 7.289 4.339 6.626 1.00 0.00 C ATOM 822 O THR A 59 6.504 4.540 5.699 1.00 0.00 O ATOM 823 CB THR A 59 8.439 2.183 7.130 1.00 0.00 C ATOM 824 OG1 THR A 59 8.445 1.836 5.740 1.00 0.00 O ATOM 825 CG2 THR A 59 8.435 0.918 7.974 1.00 0.00 C ATOM 0 H THR A 59 6.074 1.502 6.627 1.00 0.00 H new ATOM 0 HA THR A 59 7.220 3.309 8.510 1.00 0.00 H new ATOM 0 HB THR A 59 9.337 2.755 7.365 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.582 1.441 5.498 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.311 0.316 7.731 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.460 1.185 9.030 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.532 0.345 7.766 1.00 0.00 H new ATOM 833 N ARG A 60 8.239 5.203 6.970 1.00 0.00 N ATOM 834 CA ARG A 60 8.416 6.465 6.263 1.00 0.00 C ATOM 835 C ARG A 60 9.895 6.744 6.011 1.00 0.00 C ATOM 836 O ARG A 60 10.731 6.551 6.894 1.00 0.00 O ATOM 837 CB ARG A 60 7.799 7.614 7.063 1.00 0.00 C ATOM 838 CG ARG A 60 7.943 8.970 6.392 1.00 0.00 C ATOM 839 CD ARG A 60 8.022 10.092 7.415 1.00 0.00 C ATOM 840 NE ARG A 60 7.513 11.354 6.883 1.00 0.00 N ATOM 841 CZ ARG A 60 7.786 12.539 7.417 1.00 0.00 C ATOM 842 NH1 ARG A 60 8.560 12.625 8.490 1.00 0.00 N ATOM 843 NH2 ARG A 60 7.286 13.643 6.875 1.00 0.00 N ATOM 0 H ARG A 60 8.898 5.052 7.734 1.00 0.00 H new ATOM 0 HA ARG A 60 7.909 6.388 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.741 7.407 7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.267 7.653 8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.840 8.977 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.096 9.140 5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.451 9.815 8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.057 10.223 7.731 1.00 0.00 H new ATOM 0 HE ARG A 60 6.916 11.323 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.948 11.779 8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.768 13.537 8.897 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.692 13.581 6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.496 14.553 7.285 1.00 0.00 H new ATOM 857 N GLN A 61 10.209 7.197 4.802 1.00 0.00 N ATOM 858 CA GLN A 61 11.588 7.500 4.435 1.00 0.00 C ATOM 859 C GLN A 61 11.677 8.843 3.717 1.00 0.00 C ATOM 860 O GLN A 61 11.375 8.944 2.528 1.00 0.00 O ATOM 861 CB GLN A 61 12.156 6.394 3.545 1.00 0.00 C ATOM 862 CG GLN A 61 12.597 5.160 4.315 1.00 0.00 C ATOM 863 CD GLN A 61 13.462 4.232 3.485 1.00 0.00 C ATOM 864 OE1 GLN A 61 13.126 3.064 3.286 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.583 4.748 2.994 1.00 0.00 N ATOM 0 H GLN A 61 9.529 7.362 4.060 1.00 0.00 H new ATOM 0 HA GLN A 61 12.177 7.558 5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.402 6.105 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.006 6.788 2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.150 5.469 5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.717 4.618 4.660 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.822 5.721 3.184 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.204 4.171 2.427 1.00 0.00 H new ATOM 874 N GLY A 62 12.093 9.873 4.447 1.00 0.00 N ATOM 875 CA GLY A 62 12.213 11.196 3.863 1.00 0.00 C ATOM 876 C GLY A 62 10.935 11.650 3.187 1.00 0.00 C ATOM 877 O GLY A 62 10.018 12.143 3.845 1.00 0.00 O ATOM 0 H GLY A 62 12.349 9.815 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.482 11.910 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.025 11.196 3.136 1.00 0.00 H new ATOM 881 N ARG A 63 10.874 11.486 1.870 1.00 0.00 N ATOM 882 CA ARG A 63 9.699 11.885 1.104 1.00 0.00 C ATOM 883 C ARG A 63 9.069 10.682 0.408 1.00 0.00 C ATOM 884 O ARG A 63 8.554 10.794 -0.705 1.00 0.00 O ATOM 885 CB ARG A 63 10.076 12.947 0.069 1.00 0.00 C ATOM 886 CG ARG A 63 11.161 12.499 -0.896 1.00 0.00 C ATOM 887 CD ARG A 63 11.861 13.687 -1.537 1.00 0.00 C ATOM 888 NE ARG A 63 12.695 13.286 -2.667 1.00 0.00 N ATOM 889 CZ ARG A 63 12.233 13.127 -3.902 1.00 0.00 C ATOM 890 NH1 ARG A 63 10.950 13.335 -4.165 1.00 0.00 N ATOM 891 NH2 ARG A 63 13.054 12.760 -4.878 1.00 0.00 N ATOM 0 H ARG A 63 11.624 11.080 1.311 1.00 0.00 H new ATOM 0 HA ARG A 63 8.970 12.305 1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.187 13.220 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.411 13.845 0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.891 11.888 -0.366 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.723 11.871 -1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.116 14.408 -1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.477 14.190 -0.792 1.00 0.00 H new ATOM 0 HE ARG A 63 13.687 13.119 -2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.316 13.618 -3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.598 13.212 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.042 12.600 -4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.697 12.638 -5.826 1.00 0.00 H new ATOM 905 N LYS A 64 9.113 9.532 1.071 1.00 0.00 N ATOM 906 CA LYS A 64 8.546 8.307 0.518 1.00 0.00 C ATOM 907 C LYS A 64 7.911 7.458 1.615 1.00 0.00 C ATOM 908 O LYS A 64 8.315 7.524 2.776 1.00 0.00 O ATOM 909 CB LYS A 64 9.628 7.501 -0.204 1.00 0.00 C ATOM 910 CG LYS A 64 9.166 6.124 -0.647 1.00 0.00 C ATOM 911 CD LYS A 64 10.341 5.235 -1.020 1.00 0.00 C ATOM 912 CE LYS A 64 10.886 5.581 -2.397 1.00 0.00 C ATOM 913 NZ LYS A 64 11.955 6.616 -2.326 1.00 0.00 N ATOM 0 H LYS A 64 9.536 9.422 1.993 1.00 0.00 H new ATOM 0 HA LYS A 64 7.771 8.585 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.964 8.060 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.489 7.392 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.594 5.656 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.496 6.221 -1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.131 5.344 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.029 4.191 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.282 4.681 -2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.074 5.940 -3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.731 7.392 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.015 6.988 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.867 6.192 -2.591 1.00 0.00 H new ATOM 927 N TYR A 65 6.918 6.661 1.239 1.00 0.00 N ATOM 928 CA TYR A 65 6.227 5.800 2.191 1.00 0.00 C ATOM 929 C TYR A 65 6.162 4.364 1.679 1.00 0.00 C ATOM 930 O TYR A 65 5.945 4.126 0.491 1.00 0.00 O ATOM 931 CB TYR A 65 4.813 6.323 2.452 1.00 0.00 C ATOM 932 CG TYR A 65 4.777 7.760 2.922 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.723 8.808 2.011 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.799 8.070 4.276 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.690 10.122 2.435 1.00 0.00 C ATOM 936 CE2 TYR A 65 4.765 9.381 4.709 1.00 0.00 C ATOM 937 CZ TYR A 65 4.711 10.404 3.785 1.00 0.00 C ATOM 938 OH TYR A 65 4.679 11.712 4.212 1.00 0.00 O ATOM 0 H TYR A 65 6.573 6.593 0.281 1.00 0.00 H new ATOM 0 HA TYR A 65 6.789 5.810 3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.227 6.234 1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.334 5.692 3.201 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.707 8.591 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.843 7.272 5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.648 10.924 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.781 9.604 5.766 1.00 0.00 H new ATOM 0 HH TYR A 65 4.699 11.737 5.191 1.00 0.00 H new ATOM 948 N ILE A 66 6.352 3.411 2.585 1.00 0.00 N ATOM 949 CA ILE A 66 6.314 1.998 2.227 1.00 0.00 C ATOM 950 C ILE A 66 5.424 1.213 3.184 1.00 0.00 C ATOM 951 O ILE A 66 5.811 0.927 4.317 1.00 0.00 O ATOM 952 CB ILE A 66 7.724 1.379 2.231 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.651 2.161 1.298 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.661 -0.084 1.818 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.378 3.297 1.982 1.00 0.00 C ATOM 0 H ILE A 66 6.534 3.591 3.572 1.00 0.00 H new ATOM 0 HA ILE A 66 5.902 1.938 1.220 1.00 0.00 H new ATOM 0 HB ILE A 66 8.126 1.435 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.384 1.477 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.066 2.561 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.665 -0.508 1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.030 -0.633 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.242 -0.161 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.017 3.807 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.652 4.002 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.990 2.902 2.793 1.00 0.00 H new ATOM 967 N LEU A 67 4.229 0.865 2.719 1.00 0.00 N ATOM 968 CA LEU A 67 3.282 0.109 3.532 1.00 0.00 C ATOM 969 C LEU A 67 3.455 -1.391 3.317 1.00 0.00 C ATOM 970 O LEU A 67 3.152 -1.914 2.245 1.00 0.00 O ATOM 971 CB LEU A 67 1.848 0.522 3.196 1.00 0.00 C ATOM 972 CG LEU A 67 0.741 -0.317 3.836 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.467 0.155 5.255 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.528 -0.255 2.997 1.00 0.00 C ATOM 0 H LEU A 67 3.893 1.094 1.784 1.00 0.00 H new ATOM 0 HA LEU A 67 3.482 0.332 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.710 1.560 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.725 0.485 2.114 1.00 0.00 H new ATOM 0 HG LEU A 67 1.075 -1.354 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.323 -0.453 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.374 0.058 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.154 1.199 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.305 -0.858 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.865 0.779 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.323 -0.642 1.999 1.00 0.00 H new ATOM 986 N VAL A 68 3.944 -2.078 4.345 1.00 0.00 N ATOM 987 CA VAL A 68 4.154 -3.519 4.270 1.00 0.00 C ATOM 988 C VAL A 68 2.896 -4.280 4.674 1.00 0.00 C ATOM 989 O VAL A 68 2.257 -3.958 5.675 1.00 0.00 O ATOM 990 CB VAL A 68 5.321 -3.963 5.172 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.502 -5.472 5.107 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.603 -3.246 4.776 1.00 0.00 C ATOM 0 H VAL A 68 4.202 -1.660 5.239 1.00 0.00 H new ATOM 0 HA VAL A 68 4.397 -3.750 3.233 1.00 0.00 H new ATOM 0 HB VAL A 68 5.085 -3.694 6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.331 -5.767 5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.589 -5.963 5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.716 -5.769 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.417 -3.572 5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.847 -3.482 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.465 -2.170 4.880 1.00 0.00 H new ATOM 1002 N VAL A 69 2.546 -5.293 3.887 1.00 0.00 N ATOM 1003 CA VAL A 69 1.365 -6.102 4.163 1.00 0.00 C ATOM 1004 C VAL A 69 1.745 -7.551 4.447 1.00 0.00 C ATOM 1005 O VAL A 69 2.425 -8.193 3.647 1.00 0.00 O ATOM 1006 CB VAL A 69 0.372 -6.065 2.986 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.830 -6.951 3.274 1.00 0.00 C ATOM 1008 CG2 VAL A 69 -0.064 -4.635 2.702 1.00 0.00 C ATOM 0 H VAL A 69 3.064 -5.573 3.054 1.00 0.00 H new ATOM 0 HA VAL A 69 0.888 -5.675 5.045 1.00 0.00 H new ATOM 0 HB VAL A 69 0.873 -6.451 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.521 -6.912 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.497 -7.978 3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.335 -6.598 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.765 -4.627 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.547 -4.220 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.808 -4.032 2.448 1.00 0.00 H new ATOM 1018 N ARG A 70 1.302 -8.059 5.592 1.00 0.00 N ATOM 1019 CA ARG A 70 1.597 -9.432 5.983 1.00 0.00 C ATOM 1020 C ARG A 70 0.331 -10.285 5.968 1.00 0.00 C ATOM 1021 O ARG A 70 -0.768 -9.784 6.201 1.00 0.00 O ATOM 1022 CB ARG A 70 2.230 -9.464 7.375 1.00 0.00 C ATOM 1023 CG ARG A 70 3.641 -8.902 7.415 1.00 0.00 C ATOM 1024 CD ARG A 70 4.091 -8.627 8.842 1.00 0.00 C ATOM 1025 NE ARG A 70 4.736 -9.790 9.446 1.00 0.00 N ATOM 1026 CZ ARG A 70 4.868 -9.959 10.757 1.00 0.00 C ATOM 1027 NH1 ARG A 70 4.402 -9.044 11.597 1.00 0.00 N ATOM 1028 NH2 ARG A 70 5.467 -11.044 11.230 1.00 0.00 N ATOM 0 H ARG A 70 0.738 -7.541 6.265 1.00 0.00 H new ATOM 0 HA ARG A 70 2.302 -9.845 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.603 -8.898 8.063 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.248 -10.493 7.733 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.328 -9.606 6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.683 -7.980 6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.783 -7.785 8.848 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.230 -8.336 9.444 1.00 0.00 H new ATOM 0 HE ARG A 70 5.105 -10.512 8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.941 -8.208 11.237 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.505 -9.176 12.603 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.827 -11.749 10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.568 -11.173 12.237 1.00 0.00 H new ATOM 1042 N GLU A 71 0.496 -11.575 5.693 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.633 -12.496 5.647 1.00 0.00 C ATOM 1044 C GLU A 71 -1.668 -12.038 4.623 1.00 0.00 C ATOM 1045 O GLU A 71 -2.857 -11.944 4.926 1.00 0.00 O ATOM 1046 CB GLU A 71 -1.283 -12.611 7.028 1.00 0.00 C ATOM 1047 CG GLU A 71 -0.589 -13.603 7.946 1.00 0.00 C ATOM 1048 CD GLU A 71 0.809 -13.160 8.334 1.00 0.00 C ATOM 1049 OE1 GLU A 71 0.931 -12.302 9.233 1.00 0.00 O ATOM 1050 OE2 GLU A 71 1.780 -13.672 7.738 1.00 0.00 O ATOM 0 H GLU A 71 1.400 -12.005 5.499 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.258 -13.474 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.285 -11.630 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.325 -12.908 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.187 -13.738 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.535 -14.573 7.452 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.205 -11.753 3.410 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.089 -11.306 2.341 1.00 0.00 C ATOM 1059 C ALA A 72 -3.190 -12.327 2.076 1.00 0.00 C ATOM 1060 O ALA A 72 -2.915 -13.500 1.826 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.292 -11.045 1.072 1.00 0.00 C ATOM 0 H ALA A 72 -0.223 -11.824 3.144 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.561 -10.376 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.965 -10.712 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.546 -10.273 1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.793 -11.963 0.761 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.438 -11.873 2.133 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.580 -12.747 1.897 1.00 0.00 C ATOM 1069 C ALA A 73 -6.334 -12.337 0.637 1.00 0.00 C ATOM 1070 O ALA A 73 -6.156 -11.240 0.107 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.512 -12.733 3.100 1.00 0.00 C ATOM 0 H ALA A 73 -4.683 -10.905 2.341 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.207 -13.761 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.361 -13.390 2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.974 -13.081 3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.870 -11.718 3.271 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.197 -13.238 0.144 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.996 -12.992 -1.061 1.00 0.00 C ATOM 1079 C PRO A 74 -9.074 -11.937 -0.836 1.00 0.00 C ATOM 1080 O PRO A 74 -9.381 -11.150 -1.731 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.633 -14.354 -1.348 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.674 -15.039 -0.026 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.460 -14.565 0.724 1.00 0.00 C ATOM 0 HA PRO A 74 -7.389 -12.608 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.633 -14.243 -1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.046 -14.922 -2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.588 -14.791 0.514 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.660 -16.122 -0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.648 -14.505 1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.614 -15.239 0.586 1.00 0.00 H new ATOM 1091 N SER A 75 -9.644 -11.926 0.364 1.00 0.00 N ATOM 1092 CA SER A 75 -10.690 -10.969 0.705 1.00 0.00 C ATOM 1093 C SER A 75 -10.191 -9.536 0.541 1.00 0.00 C ATOM 1094 O SER A 75 -10.737 -8.763 -0.245 1.00 0.00 O ATOM 1095 CB SER A 75 -11.168 -11.193 2.141 1.00 0.00 C ATOM 1096 OG SER A 75 -11.832 -12.439 2.269 1.00 0.00 O ATOM 0 H SER A 75 -9.399 -12.569 1.117 1.00 0.00 H new ATOM 0 HA SER A 75 -11.526 -11.125 0.023 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.316 -11.160 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.841 -10.387 2.434 1.00 0.00 H new ATOM 0 HG SER A 75 -12.126 -12.559 3.196 1.00 0.00 H new ATOM 1102 N ASP A 76 -9.149 -9.191 1.290 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.574 -7.852 1.228 1.00 0.00 C ATOM 1104 C ASP A 76 -8.536 -7.343 -0.209 1.00 0.00 C ATOM 1105 O ASP A 76 -8.841 -6.180 -0.474 1.00 0.00 O ATOM 1106 CB ASP A 76 -7.163 -7.853 1.819 1.00 0.00 C ATOM 1107 CG ASP A 76 -7.170 -7.890 3.334 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.382 -8.983 3.899 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.965 -6.826 3.956 1.00 0.00 O ATOM 0 H ASP A 76 -8.686 -9.819 1.946 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.205 -7.184 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.614 -8.715 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.631 -6.963 1.483 1.00 0.00 H new ATOM 1114 N ALA A 77 -8.160 -8.220 -1.133 1.00 0.00 N ATOM 1115 CA ALA A 77 -8.083 -7.859 -2.544 1.00 0.00 C ATOM 1116 C ALA A 77 -9.293 -7.032 -2.965 1.00 0.00 C ATOM 1117 O ALA A 77 -10.436 -7.442 -2.768 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.971 -9.110 -3.403 1.00 0.00 C ATOM 0 H ALA A 77 -7.904 -9.186 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.191 -7.250 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.914 -8.826 -4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.072 -9.661 -3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.846 -9.740 -3.244 1.00 0.00 H new ATOM 1124 N GLY A 78 -9.033 -5.865 -3.546 1.00 0.00 N ATOM 1125 CA GLY A 78 -10.111 -4.998 -3.985 1.00 0.00 C ATOM 1126 C GLY A 78 -9.606 -3.684 -4.547 1.00 0.00 C ATOM 1127 O GLY A 78 -9.330 -3.578 -5.741 1.00 0.00 O ATOM 0 H GLY A 78 -8.095 -5.504 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.700 -5.512 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.777 -4.799 -3.146 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.488 -2.680 -3.684 1.00 0.00 N ATOM 1132 CA GLU A 79 -9.015 -1.365 -4.102 1.00 0.00 C ATOM 1133 C GLU A 79 -8.302 -0.653 -2.957 1.00 0.00 C ATOM 1134 O GLU A 79 -8.880 -0.431 -1.893 1.00 0.00 O ATOM 1135 CB GLU A 79 -10.185 -0.512 -4.598 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.763 0.840 -5.148 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.798 1.441 -6.078 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -11.547 0.668 -6.711 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -10.860 2.685 -6.172 1.00 0.00 O ATOM 0 H GLU A 79 -9.713 -2.752 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.305 -1.505 -4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.719 -1.060 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.885 -0.358 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.583 1.525 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.819 0.732 -5.682 1.00 0.00 H new ATOM 1146 N VAL A 80 -7.041 -0.298 -3.183 1.00 0.00 N ATOM 1147 CA VAL A 80 -6.247 0.390 -2.171 1.00 0.00 C ATOM 1148 C VAL A 80 -6.350 1.903 -2.327 1.00 0.00 C ATOM 1149 O VAL A 80 -6.506 2.415 -3.435 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.765 -0.024 -2.244 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.946 0.742 -1.216 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.621 -1.525 -2.042 1.00 0.00 C ATOM 0 H VAL A 80 -6.547 -0.475 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.650 0.100 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.384 0.224 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.902 0.437 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.024 1.811 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.324 0.528 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.568 -1.800 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.018 -1.800 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.174 -2.052 -2.820 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.260 2.615 -1.208 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.341 4.070 -1.219 1.00 0.00 C ATOM 1164 C VAL A 81 -5.318 4.685 -0.271 1.00 0.00 C ATOM 1165 O VAL A 81 -5.038 4.138 0.797 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.748 4.558 -0.825 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -7.791 6.077 -0.770 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.788 4.021 -1.797 1.00 0.00 C ATOM 0 H VAL A 81 -6.131 2.207 -0.282 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.126 4.390 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.981 4.177 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.793 6.403 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.074 6.435 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.537 6.484 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.777 4.375 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.560 4.371 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.773 2.931 -1.780 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.763 5.826 -0.666 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.770 6.516 0.149 1.00 0.00 C ATOM 1180 C PHE A 82 -4.076 8.009 0.231 1.00 0.00 C ATOM 1181 O PHE A 82 -3.918 8.740 -0.747 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.369 6.302 -0.427 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.296 7.048 0.313 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -0.807 6.571 1.518 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.777 8.228 -0.196 1.00 0.00 C ATOM 1186 CE1 PHE A 82 0.181 7.255 2.202 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.211 8.916 0.483 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.690 8.430 1.684 1.00 0.00 C ATOM 0 H PHE A 82 -4.984 6.292 -1.546 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.809 6.099 1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.137 5.237 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.363 6.614 -1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.202 5.654 1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.149 8.614 -1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.554 6.871 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.608 9.833 0.075 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.461 8.967 2.217 1.00 0.00 H new ATOM 1198 N SER A 83 -4.514 8.453 1.404 1.00 0.00 N ATOM 1199 CA SER A 83 -4.847 9.857 1.614 1.00 0.00 C ATOM 1200 C SER A 83 -3.769 10.553 2.440 1.00 0.00 C ATOM 1201 O SER A 83 -3.149 9.944 3.312 1.00 0.00 O ATOM 1202 CB SER A 83 -6.202 9.984 2.312 1.00 0.00 C ATOM 1203 OG SER A 83 -6.460 11.326 2.686 1.00 0.00 O ATOM 0 H SER A 83 -4.647 7.861 2.224 1.00 0.00 H new ATOM 0 HA SER A 83 -4.903 10.341 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.991 9.630 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.220 9.347 3.196 1.00 0.00 H new ATOM 0 HG SER A 83 -6.184 11.926 1.962 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.552 11.834 2.159 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.551 12.615 2.876 1.00 0.00 C ATOM 1211 C VAL A 84 -2.781 14.110 2.685 1.00 0.00 C ATOM 1212 O VAL A 84 -2.868 14.597 1.558 1.00 0.00 O ATOM 1213 CB VAL A 84 -1.126 12.262 2.411 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -1.009 12.395 0.900 1.00 0.00 C ATOM 1215 CG2 VAL A 84 -0.103 13.143 3.113 1.00 0.00 C ATOM 0 H VAL A 84 -4.056 12.353 1.440 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.652 12.367 3.933 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.922 11.225 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.005 12.142 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.715 11.718 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.232 13.421 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.898 12.880 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.302 14.189 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.171 12.992 4.190 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.877 14.835 3.795 1.00 0.00 N ATOM 1226 CA ARG A 85 -3.097 16.275 3.751 1.00 0.00 C ATOM 1227 C ARG A 85 -4.207 16.625 2.763 1.00 0.00 C ATOM 1228 O ARG A 85 -4.243 17.729 2.221 1.00 0.00 O ATOM 1229 CB ARG A 85 -1.806 16.998 3.362 1.00 0.00 C ATOM 1230 CG ARG A 85 -1.395 16.774 1.916 1.00 0.00 C ATOM 1231 CD ARG A 85 -0.329 17.767 1.480 1.00 0.00 C ATOM 1232 NE ARG A 85 -0.837 19.135 1.444 1.00 0.00 N ATOM 1233 CZ ARG A 85 -1.548 19.629 0.436 1.00 0.00 C ATOM 1234 NH1 ARG A 85 -1.834 18.870 -0.612 1.00 0.00 N ATOM 1235 NH2 ARG A 85 -1.975 20.885 0.477 1.00 0.00 N ATOM 0 H ARG A 85 -2.806 14.448 4.736 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.402 16.602 4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.932 18.067 3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.001 16.663 4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.018 15.758 1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.268 16.868 1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.518 17.713 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.041 17.492 0.492 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.635 19.745 2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.508 17.904 -0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.380 19.252 -1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.757 21.472 1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.521 21.264 -0.297 1.00 0.00 H new ATOM 1249 N GLY A 86 -5.110 15.677 2.535 1.00 0.00 N ATOM 1250 CA GLY A 86 -6.208 15.904 1.613 1.00 0.00 C ATOM 1251 C GLY A 86 -6.119 15.029 0.379 1.00 0.00 C ATOM 1252 O GLY A 86 -7.085 14.356 0.015 1.00 0.00 O ATOM 0 H GLY A 86 -5.101 14.755 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.152 15.713 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.215 16.952 1.312 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.959 15.036 -0.267 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.747 14.238 -1.470 1.00 0.00 C ATOM 1258 C LEU A 87 -5.236 12.807 -1.266 1.00 0.00 C ATOM 1259 O LEU A 87 -5.423 12.358 -0.134 1.00 0.00 O ATOM 1260 CB LEU A 87 -3.266 14.233 -1.849 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.603 15.605 -1.981 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -1.092 15.481 -1.863 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.985 16.258 -3.302 1.00 0.00 C ATOM 0 H LEU A 87 -4.150 15.586 0.022 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.321 14.688 -2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.721 13.659 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.156 13.705 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.960 16.239 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.637 16.467 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.836 15.057 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.718 14.830 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.504 17.233 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.658 15.626 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.067 16.383 -3.347 1.00 0.00 H new ATOM 1275 N THR A 88 -5.439 12.094 -2.369 1.00 0.00 N ATOM 1276 CA THR A 88 -5.905 10.714 -2.312 1.00 0.00 C ATOM 1277 C THR A 88 -5.594 9.974 -3.608 1.00 0.00 C ATOM 1278 O THR A 88 -5.632 10.558 -4.691 1.00 0.00 O ATOM 1279 CB THR A 88 -7.420 10.642 -2.044 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.756 11.447 -0.909 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.860 9.206 -1.802 1.00 0.00 C ATOM 0 H THR A 88 -5.288 12.449 -3.313 1.00 0.00 H new ATOM 0 HA THR A 88 -5.375 10.236 -1.488 1.00 0.00 H new ATOM 0 HB THR A 88 -7.940 11.021 -2.924 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.976 11.524 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.934 9.181 -1.615 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.630 8.602 -2.680 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.332 8.804 -0.937 1.00 0.00 H new ATOM 1289 N SER A 89 -5.287 8.686 -3.490 1.00 0.00 N ATOM 1290 CA SER A 89 -4.966 7.868 -4.654 1.00 0.00 C ATOM 1291 C SER A 89 -5.806 6.594 -4.670 1.00 0.00 C ATOM 1292 O SER A 89 -6.612 6.356 -3.770 1.00 0.00 O ATOM 1293 CB SER A 89 -3.478 7.511 -4.658 1.00 0.00 C ATOM 1294 OG SER A 89 -3.156 6.654 -3.576 1.00 0.00 O ATOM 0 H SER A 89 -5.254 8.187 -2.601 1.00 0.00 H new ATOM 0 HA SER A 89 -5.196 8.446 -5.549 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.220 7.026 -5.599 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.882 8.422 -4.595 1.00 0.00 H new ATOM 0 HG SER A 89 -2.184 6.630 -3.456 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.612 5.778 -5.700 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.349 4.528 -5.836 1.00 0.00 C ATOM 1302 C LYS A 90 -5.510 3.477 -6.556 1.00 0.00 C ATOM 1303 O LYS A 90 -4.653 3.807 -7.375 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.655 4.762 -6.598 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.568 5.783 -5.942 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.892 5.901 -6.677 1.00 0.00 C ATOM 1307 CE LYS A 90 -10.677 7.121 -6.219 1.00 0.00 C ATOM 1308 NZ LYS A 90 -10.102 8.385 -6.758 1.00 0.00 N ATOM 0 H LYS A 90 -4.950 5.960 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.580 4.161 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.421 5.093 -7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.188 3.815 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.750 5.497 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.074 6.754 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.709 5.966 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.484 5.002 -6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.714 7.027 -6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.684 7.161 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.762 9.169 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.196 8.583 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.946 8.287 -7.781 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.763 2.209 -6.245 1.00 0.00 N ATOM 1323 CA ALA A 91 -5.033 1.110 -6.865 1.00 0.00 C ATOM 1324 C ALA A 91 -5.814 -0.195 -6.760 1.00 0.00 C ATOM 1325 O ALA A 91 -6.885 -0.242 -6.155 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.661 0.960 -6.223 1.00 0.00 C ATOM 0 H ALA A 91 -6.468 1.918 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.904 1.342 -7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.126 0.136 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.095 1.882 -6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.778 0.754 -5.159 1.00 0.00 H new ATOM 1332 N SER A 92 -5.271 -1.253 -7.354 1.00 0.00 N ATOM 1333 CA SER A 92 -5.920 -2.559 -7.332 1.00 0.00 C ATOM 1334 C SER A 92 -4.970 -3.629 -6.802 1.00 0.00 C ATOM 1335 O SER A 92 -3.794 -3.667 -7.166 1.00 0.00 O ATOM 1336 CB SER A 92 -6.401 -2.937 -8.734 1.00 0.00 C ATOM 1337 OG SER A 92 -7.364 -2.013 -9.209 1.00 0.00 O ATOM 0 H SER A 92 -4.384 -1.231 -7.856 1.00 0.00 H new ATOM 0 HA SER A 92 -6.780 -2.499 -6.665 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.552 -2.966 -9.417 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.831 -3.938 -8.717 1.00 0.00 H new ATOM 0 HG SER A 92 -7.654 -2.276 -10.107 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.487 -4.496 -5.939 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.686 -5.567 -5.357 1.00 0.00 C ATOM 1345 C LEU A 93 -5.204 -6.933 -5.796 1.00 0.00 C ATOM 1346 O LEU A 93 -6.396 -7.221 -5.686 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.700 -5.470 -3.831 1.00 0.00 C ATOM 1348 CG LEU A 93 -4.205 -6.704 -3.075 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.696 -6.839 -3.204 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -4.613 -6.631 -1.610 1.00 0.00 C ATOM 0 H LEU A 93 -6.458 -4.478 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.661 -5.455 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.088 -4.618 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.720 -5.257 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.667 -7.587 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.362 -7.722 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.428 -6.938 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.215 -5.954 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.253 -7.517 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.179 -5.740 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.700 -6.584 -1.537 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.299 -7.772 -6.291 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.664 -9.109 -6.742 1.00 0.00 C ATOM 1364 C ILE A 94 -4.049 -10.179 -5.846 1.00 0.00 C ATOM 1365 O ILE A 94 -2.870 -10.111 -5.500 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.217 -9.353 -8.196 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.831 -8.304 -9.125 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.606 -10.755 -8.641 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.040 -7.016 -9.187 1.00 0.00 C ATOM 0 H ILE A 94 -3.309 -7.549 -6.390 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.751 -9.175 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.132 -9.264 -8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.910 -8.721 -10.129 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.845 -8.083 -8.791 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.284 -10.913 -9.670 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.125 -11.489 -7.994 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.688 -10.870 -8.578 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.533 -6.318 -9.864 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.982 -6.576 -8.191 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.034 -7.224 -9.550 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.857 -11.167 -5.475 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.392 -12.254 -4.622 1.00 0.00 C ATOM 1383 C VAL A 95 -4.860 -13.606 -5.149 1.00 0.00 C ATOM 1384 O VAL A 95 -6.017 -13.986 -4.971 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.887 -12.081 -3.173 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.429 -13.246 -2.310 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.403 -10.758 -2.599 1.00 0.00 C ATOM 0 H VAL A 95 -5.836 -11.237 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.303 -12.221 -4.633 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.977 -12.071 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.788 -13.107 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.830 -14.176 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.340 -13.291 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.762 -10.653 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.313 -10.735 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.787 -9.937 -3.204 1.00 0.00 H new ATOM 1397 N ARG A 96 -3.953 -14.327 -5.799 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.273 -15.637 -6.354 1.00 0.00 C ATOM 1399 C ARG A 96 -3.990 -16.741 -5.339 1.00 0.00 C ATOM 1400 O ARG A 96 -2.902 -16.808 -4.769 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.467 -15.885 -7.631 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.915 -15.033 -8.808 1.00 0.00 C ATOM 1403 CD ARG A 96 -5.075 -15.676 -9.551 1.00 0.00 C ATOM 1404 NE ARG A 96 -4.619 -16.645 -10.544 1.00 0.00 N ATOM 1405 CZ ARG A 96 -5.395 -17.594 -11.055 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -6.659 -17.700 -10.670 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -4.907 -18.439 -11.955 1.00 0.00 N ATOM 0 H ARG A 96 -2.991 -14.027 -5.954 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.336 -15.652 -6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.414 -15.688 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.548 -16.937 -7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.211 -14.046 -8.452 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.079 -14.887 -9.492 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.733 -16.171 -8.837 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.664 -14.902 -10.043 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.652 -16.590 -10.863 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.038 -17.052 -9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.253 -18.430 -11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.935 -18.360 -12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.504 -19.168 -12.347 1.00 0.00 H new ATOM 1421 N GLU A 97 -4.978 -17.603 -5.119 1.00 0.00 N ATOM 1422 CA GLU A 97 -4.835 -18.703 -4.172 1.00 0.00 C ATOM 1423 C GLU A 97 -3.531 -19.459 -4.410 1.00 0.00 C ATOM 1424 O GLU A 97 -3.140 -19.701 -5.552 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.021 -19.662 -4.287 1.00 0.00 C ATOM 1426 CG GLU A 97 -6.090 -20.388 -5.620 1.00 0.00 C ATOM 1427 CD GLU A 97 -6.668 -19.526 -6.725 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -7.578 -18.722 -6.437 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -6.209 -19.656 -7.880 1.00 0.00 O ATOM 0 H GLU A 97 -5.885 -17.561 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.813 -18.283 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.962 -20.398 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.945 -19.103 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.089 -20.714 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.698 -21.286 -5.509 1.00 0.00 H new ATOM 1436 N ARG A 98 -2.862 -19.829 -3.323 1.00 0.00 N ATOM 1437 CA ARG A 98 -1.601 -20.556 -3.412 1.00 0.00 C ATOM 1438 C ARG A 98 -1.697 -21.687 -4.431 1.00 0.00 C ATOM 1439 O ARG A 98 -2.788 -22.159 -4.749 1.00 0.00 O ATOM 1440 CB ARG A 98 -1.215 -21.120 -2.043 1.00 0.00 C ATOM 1441 CG ARG A 98 0.133 -21.821 -2.032 1.00 0.00 C ATOM 1442 CD ARG A 98 0.529 -22.246 -0.626 1.00 0.00 C ATOM 1443 NE ARG A 98 1.289 -21.208 0.065 1.00 0.00 N ATOM 1444 CZ ARG A 98 2.603 -21.054 -0.057 1.00 0.00 C ATOM 1445 NH1 ARG A 98 3.298 -21.866 -0.841 1.00 0.00 N ATOM 1446 NH2 ARG A 98 3.223 -20.086 0.605 1.00 0.00 N ATOM 0 H ARG A 98 -3.172 -19.637 -2.370 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.831 -19.858 -3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.199 -20.308 -1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.983 -21.822 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.094 -22.696 -2.680 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.894 -21.155 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.367 -22.482 -0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 98 1.124 -23.158 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 98 0.783 -20.566 0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.824 -22.611 -1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.307 -21.746 -0.933 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.691 -19.459 1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.232 -19.969 0.511 1.00 0.00 H new ATOM 1460 N SER A 99 -0.546 -22.117 -4.940 1.00 0.00 N ATOM 1461 CA SER A 99 -0.501 -23.190 -5.927 1.00 0.00 C ATOM 1462 C SER A 99 0.843 -23.912 -5.882 1.00 0.00 C ATOM 1463 O SER A 99 1.760 -23.497 -5.175 1.00 0.00 O ATOM 1464 CB SER A 99 -0.746 -22.632 -7.330 1.00 0.00 C ATOM 1465 OG SER A 99 -1.946 -21.878 -7.376 1.00 0.00 O ATOM 0 H SER A 99 0.367 -21.739 -4.685 1.00 0.00 H new ATOM 0 HA SER A 99 -1.287 -23.905 -5.686 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.094 -22.004 -7.627 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.800 -23.452 -8.047 1.00 0.00 H new ATOM 0 HG SER A 99 -2.080 -21.531 -8.283 1.00 0.00 H new ATOM 1471 N GLY A 100 0.951 -24.996 -6.645 1.00 0.00 N ATOM 1472 CA GLY A 100 2.184 -25.759 -6.679 1.00 0.00 C ATOM 1473 C GLY A 100 2.195 -26.889 -5.668 1.00 0.00 C ATOM 1474 O GLY A 100 1.620 -26.786 -4.584 1.00 0.00 O ATOM 0 H GLY A 100 0.206 -25.359 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.327 -26.169 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.025 -25.093 -6.484 1.00 0.00 H new ATOM 1478 N PRO A 101 2.861 -27.998 -6.021 1.00 0.00 N ATOM 1479 CA PRO A 101 2.960 -29.173 -5.151 1.00 0.00 C ATOM 1480 C PRO A 101 3.836 -28.918 -3.930 1.00 0.00 C ATOM 1481 O PRO A 101 3.684 -29.572 -2.897 1.00 0.00 O ATOM 1482 CB PRO A 101 3.597 -30.232 -6.055 1.00 0.00 C ATOM 1483 CG PRO A 101 4.355 -29.453 -7.074 1.00 0.00 C ATOM 1484 CD PRO A 101 3.570 -28.190 -7.298 1.00 0.00 C ATOM 0 HA PRO A 101 1.990 -29.465 -4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.256 -30.891 -5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.840 -30.862 -6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 101 5.363 -29.229 -6.724 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.458 -30.018 -8.000 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.222 -27.347 -7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.876 -28.291 -8.132 1.00 0.00 H new ATOM 1492 N SER A 102 4.753 -27.965 -4.054 1.00 0.00 N ATOM 1493 CA SER A 102 5.657 -27.626 -2.960 1.00 0.00 C ATOM 1494 C SER A 102 4.875 -27.175 -1.730 1.00 0.00 C ATOM 1495 O SER A 102 3.714 -26.781 -1.829 1.00 0.00 O ATOM 1496 CB SER A 102 6.626 -26.525 -3.394 1.00 0.00 C ATOM 1497 OG SER A 102 7.785 -27.074 -3.997 1.00 0.00 O ATOM 0 H SER A 102 4.890 -27.413 -4.901 1.00 0.00 H new ATOM 0 HA SER A 102 6.226 -28.519 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.129 -25.855 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.911 -25.926 -2.529 1.00 0.00 H new ATOM 0 HG SER A 102 8.388 -26.350 -4.267 1.00 0.00 H new ATOM 1503 N SER A 103 5.522 -27.237 -0.570 1.00 0.00 N ATOM 1504 CA SER A 103 4.888 -26.839 0.681 1.00 0.00 C ATOM 1505 C SER A 103 5.706 -25.762 1.386 1.00 0.00 C ATOM 1506 O SER A 103 6.916 -25.657 1.190 1.00 0.00 O ATOM 1507 CB SER A 103 4.720 -28.051 1.600 1.00 0.00 C ATOM 1508 OG SER A 103 5.940 -28.376 2.244 1.00 0.00 O ATOM 0 H SER A 103 6.485 -27.559 -0.471 1.00 0.00 H new ATOM 0 HA SER A 103 3.905 -26.430 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.955 -27.841 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 103 4.372 -28.906 1.020 1.00 0.00 H new ATOM 0 HG SER A 103 5.806 -29.152 2.827 1.00 0.00 H new ATOM 1514 N GLY A 104 5.035 -24.962 2.210 1.00 0.00 N ATOM 1515 CA GLY A 104 5.715 -23.902 2.932 1.00 0.00 C ATOM 1516 C GLY A 104 4.911 -23.400 4.115 1.00 0.00 C ATOM 1517 O GLY A 104 5.241 -23.689 5.265 1.00 0.00 O ATOM 0 H GLY A 104 4.033 -25.029 2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.681 -24.266 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.913 -23.073 2.253 1.00 0.00 H new TER 1521 GLY A 104