USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 -151:sc= 1.26 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -149:sc= -0.176 (180deg=-0.869) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= 1.29 (180deg=1.09) USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.14) USER MOD Single : A 11 TYR OH : rot 36:sc= 0.325 USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= -0.204 (180deg=-0.668) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.07) USER MOD Single : A 17 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.1) USER MOD Single : A 21 SER OG : rot -87:sc= 1.24 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0519 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.17) USER MOD Single : A 34 HIS : +bothHN:sc= 1.07 K(o=1.1,f=-4.9!) USER MOD Single : A 37 TYR OH : rot -156:sc= 1.29 USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.142 (180deg=-0.362) USER MOD Single : A 46 MET CE :methyl 154:sc= 0 (180deg=-0.167) USER MOD Single : A 48 MET CE :methyl 166:sc= 0 (180deg=-0.198) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0365 F(o=-0.94,f=-0.037) USER MOD Single : A 61 MET CE :methyl 168:sc= -0.137 (180deg=-0.395) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.131 F(o=-1,f=-0.13) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 30:sc= -0.242 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.401 3.843 -7.446 1.00 10.00 N ATOM 2 CA GLY A 1 -18.894 2.718 -6.684 1.00 10.00 C ATOM 3 C GLY A 1 -18.396 3.133 -5.317 1.00 10.00 C ATOM 4 O GLY A 1 -18.934 2.708 -4.295 1.00 10.00 O ATOM 0 H1 GLY A 1 -19.731 3.512 -8.375 1.00 10.00 H new ATOM 0 H2 GLY A 1 -20.192 4.281 -6.933 1.00 10.00 H new ATOM 0 H3 GLY A 1 -18.643 4.543 -7.577 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -19.682 1.973 -6.571 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -18.083 2.243 -7.236 1.00 10.00 H new ATOM 8 N SER A 2 -17.368 3.962 -5.299 1.00 10.00 N ATOM 9 CA SER A 2 -16.801 4.444 -4.056 1.00 10.00 C ATOM 10 C SER A 2 -16.545 5.941 -4.146 1.00 10.00 C ATOM 11 O SER A 2 -15.964 6.425 -5.121 1.00 10.00 O ATOM 12 CB SER A 2 -15.500 3.703 -3.741 1.00 10.00 C ATOM 13 OG SER A 2 -15.141 3.848 -2.372 1.00 10.00 O ATOM 0 H SER A 2 -16.908 4.316 -6.137 1.00 10.00 H new ATOM 0 HA SER A 2 -17.511 4.255 -3.251 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.614 2.646 -3.979 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.698 4.087 -4.372 1.00 10.00 H new ATOM 0 HG SER A 2 -14.167 3.795 -2.282 1.00 10.00 H new ATOM 19 N HIS A 3 -16.990 6.672 -3.133 1.00 10.00 N ATOM 20 CA HIS A 3 -16.809 8.116 -3.096 1.00 10.00 C ATOM 21 C HIS A 3 -15.446 8.463 -2.514 1.00 10.00 C ATOM 22 O HIS A 3 -15.012 9.615 -2.549 1.00 10.00 O ATOM 23 CB HIS A 3 -17.920 8.781 -2.282 1.00 10.00 C ATOM 24 CG HIS A 3 -19.028 9.324 -3.130 1.00 10.00 C ATOM 25 ND1 HIS A 3 -19.205 10.677 -3.299 1.00 10.00 N ATOM 26 CD2 HIS A 3 -19.971 8.662 -3.842 1.00 10.00 C ATOM 27 CE1 HIS A 3 -20.247 10.809 -4.104 1.00 10.00 C ATOM 28 NE2 HIS A 3 -20.741 9.616 -4.455 1.00 10.00 N ATOM 0 H HIS A 3 -17.480 6.288 -2.325 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.860 8.494 -4.117 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.331 8.056 -1.580 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.493 9.591 -1.691 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.093 7.591 -3.913 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -20.647 11.756 -4.435 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.541 9.448 -5.065 1.00 10.00 H new ATOM 36 N MET A 4 -14.781 7.451 -1.975 1.00 10.00 N ATOM 37 CA MET A 4 -13.459 7.623 -1.392 1.00 10.00 C ATOM 38 C MET A 4 -12.409 7.597 -2.499 1.00 10.00 C ATOM 39 O MET A 4 -12.710 7.218 -3.633 1.00 10.00 O ATOM 40 CB MET A 4 -13.172 6.516 -0.375 1.00 10.00 C ATOM 41 CG MET A 4 -14.291 6.282 0.629 1.00 10.00 C ATOM 42 SD MET A 4 -14.493 7.643 1.796 1.00 10.00 S ATOM 43 CE MET A 4 -12.925 7.583 2.666 1.00 10.00 C ATOM 0 H MET A 4 -15.139 6.497 -1.930 1.00 10.00 H new ATOM 0 HA MET A 4 -13.422 8.583 -0.876 1.00 10.00 H new ATOM 0 HB2 MET A 4 -12.981 5.587 -0.912 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.260 6.764 0.167 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.227 6.131 0.092 1.00 10.00 H new ATOM 0 HG3 MET A 4 -14.089 5.365 1.182 1.00 10.00 H new ATOM 0 HE1 MET A 4 -13.066 7.919 3.693 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.549 6.560 2.667 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.207 8.233 2.167 1.00 10.00 H new ATOM 53 N ALA A 5 -11.188 7.994 -2.181 1.00 10.00 N ATOM 54 CA ALA A 5 -10.122 8.003 -3.171 1.00 10.00 C ATOM 55 C ALA A 5 -9.394 6.664 -3.192 1.00 10.00 C ATOM 56 O ALA A 5 -9.249 6.009 -2.160 1.00 10.00 O ATOM 57 CB ALA A 5 -9.146 9.138 -2.899 1.00 10.00 C ATOM 0 H ALA A 5 -10.911 8.312 -1.252 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.570 8.164 -4.152 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.357 9.127 -3.651 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.674 10.090 -2.942 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.707 9.011 -1.910 1.00 10.00 H new ATOM 63 N THR A 6 -8.953 6.256 -4.369 1.00 10.00 N ATOM 64 CA THR A 6 -8.238 5.003 -4.526 1.00 10.00 C ATOM 65 C THR A 6 -6.737 5.260 -4.640 1.00 10.00 C ATOM 66 O THR A 6 -6.312 6.192 -5.323 1.00 10.00 O ATOM 67 CB THR A 6 -8.737 4.252 -5.770 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.756 5.026 -6.424 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.295 2.886 -5.389 1.00 10.00 C ATOM 0 H THR A 6 -9.079 6.779 -5.236 1.00 10.00 H new ATOM 0 HA THR A 6 -8.426 4.388 -3.646 1.00 10.00 H new ATOM 0 HB THR A 6 -7.896 4.105 -6.448 1.00 10.00 H new ATOM 0 HG1 THR A 6 -10.072 4.546 -7.218 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.642 2.372 -6.285 1.00 10.00 H new ATOM 0 HG22 THR A 6 -8.514 2.294 -4.911 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.128 3.013 -4.698 1.00 10.00 H new ATOM 77 N VAL A 7 -5.941 4.457 -3.951 1.00 10.00 N ATOM 78 CA VAL A 7 -4.494 4.613 -3.975 1.00 10.00 C ATOM 79 C VAL A 7 -3.845 3.496 -4.781 1.00 10.00 C ATOM 80 O VAL A 7 -4.090 2.317 -4.533 1.00 10.00 O ATOM 81 CB VAL A 7 -3.906 4.612 -2.548 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.468 5.109 -2.557 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.754 5.458 -1.611 1.00 10.00 C ATOM 0 H VAL A 7 -6.273 3.689 -3.367 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.281 5.573 -4.445 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.914 3.585 -2.183 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.074 5.100 -1.541 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.862 4.458 -3.187 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.437 6.125 -2.949 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.319 5.441 -0.612 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.786 6.485 -1.976 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.766 5.055 -1.573 1.00 10.00 H new ATOM 93 N LYS A 8 -3.028 3.874 -5.756 1.00 10.00 N ATOM 94 CA LYS A 8 -2.340 2.904 -6.594 1.00 10.00 C ATOM 95 C LYS A 8 -1.002 2.534 -5.976 1.00 10.00 C ATOM 96 O LYS A 8 -0.238 3.406 -5.560 1.00 10.00 O ATOM 97 CB LYS A 8 -2.127 3.454 -8.007 1.00 10.00 C ATOM 98 CG LYS A 8 -3.376 3.426 -8.870 1.00 10.00 C ATOM 99 CD LYS A 8 -3.022 3.484 -10.347 1.00 10.00 C ATOM 100 CE LYS A 8 -4.244 3.273 -11.227 1.00 10.00 C ATOM 101 NZ LYS A 8 -3.878 3.157 -12.663 1.00 10.00 N ATOM 0 H LYS A 8 -2.826 4.847 -5.985 1.00 10.00 H new ATOM 0 HA LYS A 8 -2.963 2.012 -6.662 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.768 4.481 -7.937 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.344 2.876 -8.498 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.944 2.518 -8.664 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.018 4.269 -8.613 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.571 4.450 -10.576 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.275 2.723 -10.572 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.767 2.370 -10.911 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -4.935 4.105 -11.094 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -4.735 3.235 -13.247 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -3.216 3.919 -12.915 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.426 2.236 -12.833 1.00 10.00 H new ATOM 115 N PHE A 9 -0.724 1.245 -5.918 1.00 10.00 N ATOM 116 CA PHE A 9 0.519 0.757 -5.346 1.00 10.00 C ATOM 117 C PHE A 9 1.293 -0.063 -6.370 1.00 10.00 C ATOM 118 O PHE A 9 0.706 -0.792 -7.171 1.00 10.00 O ATOM 119 CB PHE A 9 0.243 -0.098 -4.105 1.00 10.00 C ATOM 120 CG PHE A 9 -0.302 0.679 -2.943 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.667 0.783 -2.740 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.555 1.306 -2.052 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.171 1.498 -1.673 1.00 10.00 C ATOM 124 CE2 PHE A 9 0.057 2.022 -0.982 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.309 2.119 -0.792 1.00 10.00 C ATOM 0 H PHE A 9 -1.345 0.513 -6.262 1.00 10.00 H new ATOM 0 HA PHE A 9 1.118 1.620 -5.055 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.464 -0.885 -4.367 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.167 -0.589 -3.800 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.346 0.298 -3.426 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.623 1.234 -2.196 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.239 1.572 -1.527 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.734 2.506 -0.294 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.701 2.679 0.044 1.00 10.00 H new ATOM 135 N LYS A 10 2.611 0.065 -6.343 1.00 10.00 N ATOM 136 CA LYS A 10 3.466 -0.676 -7.254 1.00 10.00 C ATOM 137 C LYS A 10 4.157 -1.802 -6.495 1.00 10.00 C ATOM 138 O LYS A 10 5.388 -1.869 -6.418 1.00 10.00 O ATOM 139 CB LYS A 10 4.494 0.251 -7.907 1.00 10.00 C ATOM 140 CG LYS A 10 5.108 -0.318 -9.174 1.00 10.00 C ATOM 141 CD LYS A 10 5.982 0.710 -9.874 1.00 10.00 C ATOM 142 CE LYS A 10 6.854 0.064 -10.938 1.00 10.00 C ATOM 143 NZ LYS A 10 7.784 1.042 -11.558 1.00 10.00 N ATOM 0 H LYS A 10 3.111 0.677 -5.698 1.00 10.00 H new ATOM 0 HA LYS A 10 2.856 -1.105 -8.049 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.016 1.202 -8.140 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.288 0.461 -7.191 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.703 -1.198 -8.929 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.317 -0.646 -9.849 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.353 1.474 -10.331 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.612 1.213 -9.141 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.426 -0.750 -10.494 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.221 -0.375 -11.709 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 8.533 0.533 -12.069 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 7.260 1.646 -12.223 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.211 1.633 -10.817 1.00 10.00 H new ATOM 157 N TYR A 11 3.347 -2.666 -5.910 1.00 10.00 N ATOM 158 CA TYR A 11 3.846 -3.794 -5.144 1.00 10.00 C ATOM 159 C TYR A 11 4.422 -4.856 -6.083 1.00 10.00 C ATOM 160 O TYR A 11 3.745 -5.321 -7.005 1.00 10.00 O ATOM 161 CB TYR A 11 2.712 -4.336 -4.242 1.00 10.00 C ATOM 162 CG TYR A 11 2.484 -5.840 -4.264 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.514 -6.728 -4.003 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.221 -6.364 -4.524 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.303 -8.093 -4.005 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.003 -7.730 -4.529 1.00 10.00 C ATOM 167 CZ TYR A 11 2.048 -8.590 -4.269 1.00 10.00 C ATOM 168 OH TYR A 11 1.836 -9.952 -4.270 1.00 10.00 O ATOM 0 H TYR A 11 2.330 -2.606 -5.952 1.00 10.00 H new ATOM 0 HA TYR A 11 4.663 -3.482 -4.493 1.00 10.00 H new ATOM 0 HB2 TYR A 11 2.922 -4.038 -3.215 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.782 -3.846 -4.532 1.00 10.00 H new ATOM 0 HD1 TYR A 11 4.502 -6.346 -3.794 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.398 -5.694 -4.725 1.00 10.00 H new ATOM 0 HE1 TYR A 11 4.121 -8.768 -3.800 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.018 -8.121 -4.736 1.00 10.00 H new ATOM 0 HH TYR A 11 2.391 -10.370 -3.578 1.00 10.00 H new ATOM 178 N LYS A 12 5.693 -5.202 -5.847 1.00 10.00 N ATOM 179 CA LYS A 12 6.411 -6.199 -6.645 1.00 10.00 C ATOM 180 C LYS A 12 6.505 -5.779 -8.113 1.00 10.00 C ATOM 181 O LYS A 12 6.729 -6.611 -8.991 1.00 10.00 O ATOM 182 CB LYS A 12 5.742 -7.571 -6.545 1.00 10.00 C ATOM 183 CG LYS A 12 6.490 -8.533 -5.641 1.00 10.00 C ATOM 184 CD LYS A 12 5.904 -9.934 -5.704 1.00 10.00 C ATOM 185 CE LYS A 12 6.792 -10.936 -4.988 1.00 10.00 C ATOM 186 NZ LYS A 12 8.157 -10.979 -5.572 1.00 10.00 N ATOM 0 H LYS A 12 6.252 -4.797 -5.096 1.00 10.00 H new ATOM 0 HA LYS A 12 7.420 -6.267 -6.238 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.726 -7.447 -6.172 1.00 10.00 H new ATOM 0 HB3 LYS A 12 5.664 -8.004 -7.542 1.00 10.00 H new ATOM 0 HG2 LYS A 12 7.540 -8.564 -5.932 1.00 10.00 H new ATOM 0 HG3 LYS A 12 6.455 -8.170 -4.614 1.00 10.00 H new ATOM 0 HD2 LYS A 12 4.912 -9.936 -5.252 1.00 10.00 H new ATOM 0 HD3 LYS A 12 5.781 -10.233 -6.745 1.00 10.00 H new ATOM 0 HE2 LYS A 12 6.857 -10.675 -3.932 1.00 10.00 H new ATOM 0 HE3 LYS A 12 6.341 -11.927 -5.044 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 8.607 -11.887 -5.337 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 8.096 -10.880 -6.605 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 8.726 -10.200 -5.183 1.00 10.00 H new ATOM 200 N GLY A 13 6.333 -4.489 -8.380 1.00 10.00 N ATOM 201 CA GLY A 13 6.388 -3.997 -9.745 1.00 10.00 C ATOM 202 C GLY A 13 5.016 -3.983 -10.393 1.00 10.00 C ATOM 203 O GLY A 13 4.764 -3.221 -11.329 1.00 10.00 O ATOM 0 H GLY A 13 6.156 -3.774 -7.675 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.804 -2.989 -9.752 1.00 10.00 H new ATOM 0 HA3 GLY A 13 7.061 -4.624 -10.331 1.00 10.00 H new ATOM 207 N GLU A 14 4.137 -4.832 -9.882 1.00 10.00 N ATOM 208 CA GLU A 14 2.775 -4.947 -10.373 1.00 10.00 C ATOM 209 C GLU A 14 1.978 -3.718 -9.947 1.00 10.00 C ATOM 210 O GLU A 14 2.313 -3.077 -8.951 1.00 10.00 O ATOM 211 CB GLU A 14 2.145 -6.228 -9.812 1.00 10.00 C ATOM 212 CG GLU A 14 0.667 -6.406 -10.130 1.00 10.00 C ATOM 213 CD GLU A 14 0.084 -7.635 -9.472 1.00 10.00 C ATOM 214 OE1 GLU A 14 -0.143 -8.636 -10.179 1.00 10.00 O ATOM 215 OE2 GLU A 14 -0.138 -7.611 -8.242 1.00 10.00 O ATOM 0 H GLU A 14 4.351 -5.464 -9.110 1.00 10.00 H new ATOM 0 HA GLU A 14 2.770 -5.002 -11.462 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.692 -7.086 -10.203 1.00 10.00 H new ATOM 0 HB3 GLU A 14 2.272 -6.235 -8.730 1.00 10.00 H new ATOM 0 HG2 GLU A 14 0.118 -5.524 -9.800 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.536 -6.478 -11.210 1.00 10.00 H new ATOM 222 N GLU A 15 0.941 -3.383 -10.698 1.00 10.00 N ATOM 223 CA GLU A 15 0.120 -2.229 -10.372 1.00 10.00 C ATOM 224 C GLU A 15 -1.203 -2.650 -9.738 1.00 10.00 C ATOM 225 O GLU A 15 -2.043 -3.281 -10.383 1.00 10.00 O ATOM 226 CB GLU A 15 -0.148 -1.386 -11.620 1.00 10.00 C ATOM 227 CG GLU A 15 -0.760 -0.028 -11.310 1.00 10.00 C ATOM 228 CD GLU A 15 -1.180 0.726 -12.553 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.300 1.121 -13.344 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.396 0.937 -12.741 1.00 10.00 O ATOM 0 H GLU A 15 0.649 -3.891 -11.533 1.00 10.00 H new ATOM 0 HA GLU A 15 0.672 -1.629 -9.649 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.788 -1.240 -12.159 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.816 -1.935 -12.284 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.627 -0.165 -10.664 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.039 0.571 -10.754 1.00 10.00 H new ATOM 237 N LYS A 16 -1.367 -2.305 -8.472 1.00 10.00 N ATOM 238 CA LYS A 16 -2.587 -2.600 -7.741 1.00 10.00 C ATOM 239 C LYS A 16 -3.209 -1.297 -7.265 1.00 10.00 C ATOM 240 O LYS A 16 -2.548 -0.257 -7.255 1.00 10.00 O ATOM 241 CB LYS A 16 -2.316 -3.515 -6.544 1.00 10.00 C ATOM 242 CG LYS A 16 -2.212 -4.990 -6.904 1.00 10.00 C ATOM 243 CD LYS A 16 -3.188 -5.826 -6.089 1.00 10.00 C ATOM 244 CE LYS A 16 -2.654 -7.224 -5.822 1.00 10.00 C ATOM 245 NZ LYS A 16 -2.475 -8.001 -7.074 1.00 10.00 N ATOM 0 H LYS A 16 -0.661 -1.814 -7.924 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.273 -3.122 -8.409 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.389 -3.203 -6.063 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -3.114 -3.385 -5.813 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.415 -5.123 -7.967 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.195 -5.339 -6.728 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -3.389 -5.327 -5.141 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -4.137 -5.896 -6.620 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.700 -7.154 -5.300 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -3.340 -7.754 -5.162 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.174 -8.969 -6.842 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.375 -8.033 -7.594 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -1.750 -7.546 -7.665 1.00 10.00 H new ATOM 259 N GLN A 17 -4.469 -1.342 -6.882 1.00 10.00 N ATOM 260 CA GLN A 17 -5.155 -0.153 -6.411 1.00 10.00 C ATOM 261 C GLN A 17 -6.085 -0.497 -5.262 1.00 10.00 C ATOM 262 O GLN A 17 -6.994 -1.316 -5.408 1.00 10.00 O ATOM 263 CB GLN A 17 -5.942 0.490 -7.549 1.00 10.00 C ATOM 264 CG GLN A 17 -6.396 1.904 -7.254 1.00 10.00 C ATOM 265 CD GLN A 17 -7.009 2.583 -8.464 1.00 10.00 C ATOM 266 OE1 GLN A 17 -6.915 3.800 -8.611 1.00 10.00 O ATOM 267 NE2 GLN A 17 -7.634 1.808 -9.346 1.00 10.00 N ATOM 0 H GLN A 17 -5.039 -2.188 -6.887 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.409 0.557 -6.055 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.325 0.496 -8.447 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -6.816 -0.124 -7.767 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.125 1.886 -6.444 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -5.545 2.490 -6.905 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.692 0.802 -9.190 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -8.056 2.220 -10.178 1.00 10.00 H new ATOM 276 N VAL A 18 -5.847 0.121 -4.119 1.00 10.00 N ATOM 277 CA VAL A 18 -6.658 -0.123 -2.939 1.00 10.00 C ATOM 278 C VAL A 18 -7.370 1.152 -2.497 1.00 10.00 C ATOM 279 O VAL A 18 -6.778 2.234 -2.478 1.00 10.00 O ATOM 280 CB VAL A 18 -5.804 -0.666 -1.768 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.666 -0.948 -0.544 1.00 10.00 C ATOM 282 CG2 VAL A 18 -5.047 -1.920 -2.188 1.00 10.00 C ATOM 0 H VAL A 18 -5.096 0.798 -3.982 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.399 -0.875 -3.208 1.00 10.00 H new ATOM 0 HB VAL A 18 -5.078 0.102 -1.501 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -6.039 -1.328 0.263 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -7.153 -0.027 -0.222 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.424 -1.690 -0.796 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.453 -2.285 -1.350 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.757 -2.689 -2.491 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.388 -1.684 -3.024 1.00 10.00 H new ATOM 292 N ASP A 19 -8.649 1.019 -2.170 1.00 10.00 N ATOM 293 CA ASP A 19 -9.442 2.151 -1.712 1.00 10.00 C ATOM 294 C ASP A 19 -8.951 2.595 -0.339 1.00 10.00 C ATOM 295 O ASP A 19 -8.627 1.761 0.511 1.00 10.00 O ATOM 296 CB ASP A 19 -10.927 1.782 -1.649 1.00 10.00 C ATOM 297 CG ASP A 19 -11.819 2.995 -1.483 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.821 3.592 -0.386 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.529 3.349 -2.449 1.00 10.00 O ATOM 0 H ASP A 19 -9.159 0.137 -2.214 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.326 2.972 -2.420 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.205 1.252 -2.560 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -11.093 1.096 -0.818 1.00 10.00 H new ATOM 304 N ILE A 20 -8.904 3.905 -0.125 1.00 10.00 N ATOM 305 CA ILE A 20 -8.432 4.466 1.135 1.00 10.00 C ATOM 306 C ILE A 20 -9.275 3.998 2.331 1.00 10.00 C ATOM 307 O ILE A 20 -8.781 3.946 3.457 1.00 10.00 O ATOM 308 CB ILE A 20 -8.404 6.014 1.079 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.679 6.588 2.301 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.814 6.577 0.979 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.460 8.082 2.226 1.00 10.00 C ATOM 0 H ILE A 20 -9.189 4.602 -0.813 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.416 4.098 1.280 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.855 6.310 0.185 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.256 6.358 3.197 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.714 6.092 2.407 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.769 7.665 0.941 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.292 6.202 0.074 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.392 6.268 1.850 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.942 8.419 3.124 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.857 8.318 1.349 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -8.423 8.588 2.151 1.00 10.00 H new ATOM 323 N SER A 21 -10.531 3.634 2.094 1.00 10.00 N ATOM 324 CA SER A 21 -11.399 3.184 3.176 1.00 10.00 C ATOM 325 C SER A 21 -11.084 1.743 3.578 1.00 10.00 C ATOM 326 O SER A 21 -11.461 1.298 4.663 1.00 10.00 O ATOM 327 CB SER A 21 -12.873 3.317 2.774 1.00 10.00 C ATOM 328 OG SER A 21 -13.149 2.605 1.581 1.00 10.00 O ATOM 0 H SER A 21 -10.967 3.641 1.172 1.00 10.00 H new ATOM 0 HA SER A 21 -11.213 3.822 4.040 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.506 2.942 3.578 1.00 10.00 H new ATOM 0 HB3 SER A 21 -13.121 4.370 2.637 1.00 10.00 H new ATOM 0 HG SER A 21 -12.971 3.180 0.808 1.00 10.00 H new ATOM 334 N LYS A 22 -10.378 1.021 2.711 1.00 10.00 N ATOM 335 CA LYS A 22 -10.022 -0.365 2.990 1.00 10.00 C ATOM 336 C LYS A 22 -8.671 -0.443 3.691 1.00 10.00 C ATOM 337 O LYS A 22 -8.374 -1.417 4.389 1.00 10.00 O ATOM 338 CB LYS A 22 -9.977 -1.185 1.699 1.00 10.00 C ATOM 339 CG LYS A 22 -11.312 -1.274 0.979 1.00 10.00 C ATOM 340 CD LYS A 22 -11.206 -2.139 -0.266 1.00 10.00 C ATOM 341 CE LYS A 22 -12.457 -2.035 -1.128 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.380 -2.906 -2.332 1.00 10.00 N ATOM 0 H LYS A 22 -10.043 1.372 1.814 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.788 -0.779 3.646 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.241 -0.745 1.026 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.633 -2.193 1.932 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -12.064 -1.689 1.651 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.647 -0.274 0.703 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.336 -1.835 -0.848 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -11.048 -3.178 0.024 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.329 -2.312 -0.536 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.598 -1.000 -1.438 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.252 -2.804 -2.890 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -11.563 -2.626 -2.911 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -12.271 -3.897 -2.037 1.00 10.00 H new ATOM 356 N ILE A 23 -7.852 0.584 3.494 1.00 10.00 N ATOM 357 CA ILE A 23 -6.532 0.644 4.103 1.00 10.00 C ATOM 358 C ILE A 23 -6.653 0.705 5.623 1.00 10.00 C ATOM 359 O ILE A 23 -7.392 1.528 6.164 1.00 10.00 O ATOM 360 CB ILE A 23 -5.733 1.868 3.598 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.539 1.787 2.079 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.387 1.966 4.309 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.819 2.980 1.487 1.00 10.00 C ATOM 0 H ILE A 23 -8.083 1.390 2.913 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.995 -0.260 3.816 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.302 2.769 3.827 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.978 0.883 1.842 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.515 1.691 1.603 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.842 2.834 3.938 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.549 2.070 5.382 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.807 1.064 4.116 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.721 2.848 0.410 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.389 3.887 1.691 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.828 3.066 1.934 1.00 10.00 H new ATOM 375 N LEU A 24 -5.933 -0.177 6.300 1.00 10.00 N ATOM 376 CA LEU A 24 -5.960 -0.231 7.752 1.00 10.00 C ATOM 377 C LEU A 24 -4.829 0.605 8.342 1.00 10.00 C ATOM 378 O LEU A 24 -5.064 1.624 8.991 1.00 10.00 O ATOM 379 CB LEU A 24 -5.834 -1.681 8.230 1.00 10.00 C ATOM 380 CG LEU A 24 -6.903 -2.645 7.703 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.462 -4.089 7.894 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.232 -2.399 8.404 1.00 10.00 C ATOM 0 H LEU A 24 -5.321 -0.867 5.864 1.00 10.00 H new ATOM 0 HA LEU A 24 -6.912 0.177 8.091 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.854 -2.058 7.937 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -5.867 -1.690 9.319 1.00 10.00 H new ATOM 0 HG LEU A 24 -7.034 -2.463 6.636 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.234 -4.758 7.514 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.533 -4.261 7.350 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.303 -4.284 8.955 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -8.980 -3.091 8.019 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.112 -2.554 9.476 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.556 -1.375 8.220 1.00 10.00 H new ATOM 394 N SER A 25 -3.596 0.175 8.108 1.00 10.00 N ATOM 395 CA SER A 25 -2.433 0.879 8.631 1.00 10.00 C ATOM 396 C SER A 25 -1.273 0.823 7.637 1.00 10.00 C ATOM 397 O SER A 25 -1.044 -0.203 6.991 1.00 10.00 O ATOM 398 CB SER A 25 -2.008 0.261 9.969 1.00 10.00 C ATOM 399 OG SER A 25 -3.136 -0.216 10.691 1.00 10.00 O ATOM 0 H SER A 25 -3.376 -0.657 7.560 1.00 10.00 H new ATOM 0 HA SER A 25 -2.702 1.924 8.786 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.313 -0.559 9.790 1.00 10.00 H new ATOM 0 HB3 SER A 25 -1.478 1.004 10.565 1.00 10.00 H new ATOM 0 HG SER A 25 -2.840 -0.607 11.540 1.00 10.00 H new ATOM 405 N VAL A 26 -0.567 1.936 7.500 1.00 10.00 N ATOM 406 CA VAL A 26 0.574 2.013 6.599 1.00 10.00 C ATOM 407 C VAL A 26 1.872 2.108 7.398 1.00 10.00 C ATOM 408 O VAL A 26 2.055 3.034 8.188 1.00 10.00 O ATOM 409 CB VAL A 26 0.469 3.229 5.654 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.637 3.263 4.684 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.850 3.215 4.897 1.00 10.00 C ATOM 0 H VAL A 26 -0.765 2.801 8.003 1.00 10.00 H new ATOM 0 HA VAL A 26 0.576 1.105 5.996 1.00 10.00 H new ATOM 0 HB VAL A 26 0.504 4.131 6.265 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.541 4.129 4.029 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.571 3.332 5.242 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.639 2.353 4.085 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.900 4.082 4.238 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.919 2.303 4.304 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.677 3.250 5.606 1.00 10.00 H new ATOM 421 N GLY A 27 2.759 1.142 7.202 1.00 10.00 N ATOM 422 CA GLY A 27 4.022 1.142 7.909 1.00 10.00 C ATOM 423 C GLY A 27 5.179 1.442 6.987 1.00 10.00 C ATOM 424 O GLY A 27 5.238 0.926 5.870 1.00 10.00 O ATOM 0 H GLY A 27 2.625 0.357 6.564 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.992 1.883 8.708 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.175 0.171 8.381 1.00 10.00 H new ATOM 428 N ARG A 28 6.100 2.272 7.445 1.00 10.00 N ATOM 429 CA ARG A 28 7.248 2.637 6.637 1.00 10.00 C ATOM 430 C ARG A 28 8.552 2.253 7.326 1.00 10.00 C ATOM 431 O ARG A 28 9.021 2.959 8.217 1.00 10.00 O ATOM 432 CB ARG A 28 7.238 4.141 6.345 1.00 10.00 C ATOM 433 CG ARG A 28 8.331 4.575 5.382 1.00 10.00 C ATOM 434 CD ARG A 28 8.835 5.975 5.695 1.00 10.00 C ATOM 435 NE ARG A 28 9.939 6.360 4.820 1.00 10.00 N ATOM 436 CZ ARG A 28 11.182 6.610 5.231 1.00 10.00 C ATOM 437 NH1 ARG A 28 11.497 6.516 6.520 1.00 10.00 N ATOM 438 NH2 ARG A 28 12.118 6.918 4.342 1.00 10.00 N ATOM 0 H ARG A 28 6.075 2.704 8.369 1.00 10.00 H new ATOM 0 HA ARG A 28 7.182 2.088 5.697 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.268 4.417 5.931 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.351 4.686 7.282 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.161 3.870 5.432 1.00 10.00 H new ATOM 0 HG3 ARG A 28 7.949 4.546 4.361 1.00 10.00 H new ATOM 0 HD2 ARG A 28 8.018 6.689 5.586 1.00 10.00 H new ATOM 0 HD3 ARG A 28 9.161 6.020 6.734 1.00 10.00 H new ATOM 0 HE ARG A 28 9.745 6.444 3.822 1.00 10.00 H new ATOM 0 HH11 ARG A 28 10.785 6.251 7.201 1.00 10.00 H new ATOM 0 HH12 ARG A 28 12.450 6.709 6.827 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.884 6.962 3.350 1.00 10.00 H new ATOM 0 HH22 ARG A 28 13.071 7.110 4.651 1.00 10.00 H new ATOM 452 N TYR A 29 9.123 1.126 6.923 1.00 10.00 N ATOM 453 CA TYR A 29 10.394 0.673 7.485 1.00 10.00 C ATOM 454 C TYR A 29 11.526 1.543 6.951 1.00 10.00 C ATOM 455 O TYR A 29 12.594 1.662 7.557 1.00 10.00 O ATOM 456 CB TYR A 29 10.653 -0.794 7.122 1.00 10.00 C ATOM 457 CG TYR A 29 9.914 -1.793 7.987 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.748 -1.442 8.659 1.00 10.00 C ATOM 459 CD2 TYR A 29 10.386 -3.090 8.130 1.00 10.00 C ATOM 460 CE1 TYR A 29 8.076 -2.354 9.447 1.00 10.00 C ATOM 461 CE2 TYR A 29 9.717 -4.012 8.916 1.00 10.00 C ATOM 462 CZ TYR A 29 8.564 -3.637 9.572 1.00 10.00 C ATOM 463 OH TYR A 29 7.890 -4.546 10.357 1.00 10.00 O ATOM 0 H TYR A 29 8.730 0.509 6.212 1.00 10.00 H new ATOM 0 HA TYR A 29 10.347 0.758 8.571 1.00 10.00 H new ATOM 0 HB2 TYR A 29 10.370 -0.953 6.082 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.723 -0.990 7.195 1.00 10.00 H new ATOM 0 HD1 TYR A 29 8.362 -0.438 8.562 1.00 10.00 H new ATOM 0 HD2 TYR A 29 11.291 -3.385 7.619 1.00 10.00 H new ATOM 0 HE1 TYR A 29 7.173 -2.064 9.963 1.00 10.00 H new ATOM 0 HE2 TYR A 29 10.096 -5.019 9.015 1.00 10.00 H new ATOM 0 HH TYR A 29 8.361 -5.405 10.341 1.00 10.00 H new ATOM 473 N GLY A 30 11.268 2.154 5.808 1.00 10.00 N ATOM 474 CA GLY A 30 12.243 3.010 5.183 1.00 10.00 C ATOM 475 C GLY A 30 11.944 3.188 3.716 1.00 10.00 C ATOM 476 O GLY A 30 10.950 3.811 3.355 1.00 10.00 O ATOM 0 H GLY A 30 10.388 2.069 5.299 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.249 3.982 5.677 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.239 2.584 5.306 1.00 10.00 H new ATOM 480 N LYS A 31 12.776 2.604 2.871 1.00 10.00 N ATOM 481 CA LYS A 31 12.586 2.705 1.430 1.00 10.00 C ATOM 482 C LYS A 31 11.460 1.786 0.966 1.00 10.00 C ATOM 483 O LYS A 31 10.928 1.943 -0.132 1.00 10.00 O ATOM 484 CB LYS A 31 13.886 2.382 0.693 1.00 10.00 C ATOM 485 CG LYS A 31 14.961 3.444 0.875 1.00 10.00 C ATOM 486 CD LYS A 31 14.527 4.784 0.297 1.00 10.00 C ATOM 487 CE LYS A 31 15.087 5.945 1.102 1.00 10.00 C ATOM 488 NZ LYS A 31 14.230 7.156 0.995 1.00 10.00 N ATOM 0 H LYS A 31 13.588 2.056 3.154 1.00 10.00 H new ATOM 0 HA LYS A 31 12.304 3.731 1.194 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.268 1.424 1.047 1.00 10.00 H new ATOM 0 HB3 LYS A 31 13.674 2.268 -0.370 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.184 3.559 1.936 1.00 10.00 H new ATOM 0 HG3 LYS A 31 15.881 3.118 0.390 1.00 10.00 H new ATOM 0 HD2 LYS A 31 14.863 4.861 -0.737 1.00 10.00 H new ATOM 0 HD3 LYS A 31 13.439 4.840 0.284 1.00 10.00 H new ATOM 0 HE2 LYS A 31 15.174 5.653 2.149 1.00 10.00 H new ATOM 0 HE3 LYS A 31 16.092 6.179 0.751 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.444 7.804 1.780 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.417 7.634 0.091 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.229 6.878 1.039 1.00 10.00 H new ATOM 502 N LEU A 32 11.108 0.823 1.812 1.00 10.00 N ATOM 503 CA LEU A 32 10.031 -0.109 1.511 1.00 10.00 C ATOM 504 C LEU A 32 8.846 0.172 2.422 1.00 10.00 C ATOM 505 O LEU A 32 8.961 0.088 3.647 1.00 10.00 O ATOM 506 CB LEU A 32 10.492 -1.561 1.698 1.00 10.00 C ATOM 507 CG LEU A 32 11.141 -2.219 0.475 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.619 -3.618 0.825 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.174 -2.265 -0.701 1.00 10.00 C ATOM 0 H LEU A 32 11.556 0.669 2.715 1.00 10.00 H new ATOM 0 HA LEU A 32 9.738 0.027 0.470 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.203 -1.593 2.524 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.631 -2.160 1.995 1.00 10.00 H new ATOM 0 HG LEU A 32 12.000 -1.616 0.179 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.078 -4.075 -0.051 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.351 -3.561 1.630 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.771 -4.222 1.147 1.00 10.00 H new ATOM 0 HD21 LEU A 32 10.661 -2.737 -1.554 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.291 -2.840 -0.424 1.00 10.00 H new ATOM 0 HD23 LEU A 32 9.877 -1.251 -0.968 1.00 10.00 H new ATOM 521 N ILE A 33 7.719 0.525 1.825 1.00 10.00 N ATOM 522 CA ILE A 33 6.509 0.823 2.578 1.00 10.00 C ATOM 523 C ILE A 33 5.551 -0.360 2.532 1.00 10.00 C ATOM 524 O ILE A 33 5.080 -0.738 1.463 1.00 10.00 O ATOM 525 CB ILE A 33 5.792 2.072 2.023 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.785 3.224 1.841 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.657 2.487 2.948 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.257 4.340 0.967 1.00 10.00 C ATOM 0 H ILE A 33 7.616 0.613 0.814 1.00 10.00 H new ATOM 0 HA ILE A 33 6.807 1.019 3.608 1.00 10.00 H new ATOM 0 HB ILE A 33 5.371 1.825 1.049 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.043 3.630 2.819 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.705 2.835 1.405 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.161 3.369 2.543 1.00 10.00 H new ATOM 0 HG22 ILE A 33 3.938 1.672 3.030 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.058 2.717 3.935 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.011 5.122 0.881 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.026 3.948 -0.023 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.353 4.755 1.413 1.00 10.00 H new ATOM 540 N HIS A 34 5.269 -0.934 3.690 1.00 10.00 N ATOM 541 CA HIS A 34 4.370 -2.077 3.779 1.00 10.00 C ATOM 542 C HIS A 34 3.088 -1.682 4.496 1.00 10.00 C ATOM 543 O HIS A 34 3.114 -1.278 5.659 1.00 10.00 O ATOM 544 CB HIS A 34 5.051 -3.235 4.516 1.00 10.00 C ATOM 545 CG HIS A 34 4.430 -4.574 4.252 1.00 10.00 C ATOM 546 ND1 HIS A 34 5.002 -5.540 3.455 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.259 -5.099 4.694 1.00 10.00 C ATOM 548 CE1 HIS A 34 4.185 -6.598 3.439 1.00 10.00 C ATOM 549 NE2 HIS A 34 3.112 -6.382 4.173 1.00 10.00 N ATOM 0 H HIS A 34 5.650 -0.627 4.585 1.00 10.00 H new ATOM 0 HA HIS A 34 4.122 -2.404 2.769 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.101 -3.269 4.226 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.022 -3.037 5.588 1.00 10.00 H new ATOM 0 HD1 HIS A 34 5.892 -5.462 2.963 1.00 10.00 H new ATOM 0 HD2 HIS A 34 2.555 -4.602 5.345 1.00 10.00 H new ATOM 0 HE1 HIS A 34 4.379 -7.511 2.895 1.00 10.00 H new ATOM 0 HE2 HIS A 34 2.334 -7.023 4.328 1.00 10.00 H new ATOM 557 N PHE A 35 1.965 -1.796 3.806 1.00 10.00 N ATOM 558 CA PHE A 35 0.686 -1.436 4.393 1.00 10.00 C ATOM 559 C PHE A 35 -0.261 -2.628 4.418 1.00 10.00 C ATOM 560 O PHE A 35 -0.129 -3.560 3.616 1.00 10.00 O ATOM 561 CB PHE A 35 0.051 -0.265 3.626 1.00 10.00 C ATOM 562 CG PHE A 35 -0.724 -0.673 2.401 1.00 10.00 C ATOM 563 CD1 PHE A 35 -2.101 -0.525 2.355 1.00 10.00 C ATOM 564 CD2 PHE A 35 -0.077 -1.203 1.298 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.815 -0.898 1.235 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.786 -1.579 0.175 1.00 10.00 C ATOM 567 CZ PHE A 35 -2.157 -1.426 0.143 1.00 10.00 C ATOM 0 H PHE A 35 1.913 -2.133 2.845 1.00 10.00 H new ATOM 0 HA PHE A 35 0.865 -1.124 5.422 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.614 0.276 4.299 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.838 0.429 3.329 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.622 -0.113 3.207 1.00 10.00 H new ATOM 0 HD2 PHE A 35 0.996 -1.324 1.316 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.888 -0.777 1.213 1.00 10.00 H new ATOM 0 HE2 PHE A 35 -0.268 -1.993 -0.678 1.00 10.00 H new ATOM 0 HZ PHE A 35 -2.714 -1.719 -0.735 1.00 10.00 H new ATOM 577 N LEU A 36 -1.204 -2.592 5.344 1.00 10.00 N ATOM 578 CA LEU A 36 -2.195 -3.648 5.489 1.00 10.00 C ATOM 579 C LEU A 36 -3.566 -3.109 5.113 1.00 10.00 C ATOM 580 O LEU A 36 -3.901 -1.971 5.454 1.00 10.00 O ATOM 581 CB LEU A 36 -2.227 -4.161 6.931 1.00 10.00 C ATOM 582 CG LEU A 36 -0.885 -4.642 7.488 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.987 -4.867 8.990 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.439 -5.919 6.785 1.00 10.00 C ATOM 0 H LEU A 36 -1.305 -1.832 6.016 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.927 -4.474 4.830 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.603 -3.365 7.573 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -2.941 -4.983 6.990 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.137 -3.871 7.302 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -0.025 -5.209 9.373 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.261 -3.933 9.480 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.748 -5.621 9.194 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.517 -6.245 7.195 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.185 -6.699 6.939 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.330 -5.728 5.718 1.00 10.00 H new ATOM 596 N TYR A 37 -4.357 -3.907 4.411 1.00 10.00 N ATOM 597 CA TYR A 37 -5.685 -3.474 4.008 1.00 10.00 C ATOM 598 C TYR A 37 -6.668 -4.636 4.035 1.00 10.00 C ATOM 599 O TYR A 37 -6.302 -5.783 3.763 1.00 10.00 O ATOM 600 CB TYR A 37 -5.646 -2.831 2.613 1.00 10.00 C ATOM 601 CG TYR A 37 -5.439 -3.803 1.467 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.522 -4.307 0.758 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.165 -4.206 1.086 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.345 -5.184 -0.290 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.979 -5.083 0.036 1.00 10.00 C ATOM 606 CZ TYR A 37 -5.072 -5.569 -0.650 1.00 10.00 C ATOM 607 OH TYR A 37 -4.895 -6.445 -1.697 1.00 10.00 O ATOM 0 H TYR A 37 -4.105 -4.849 4.111 1.00 10.00 H new ATOM 0 HA TYR A 37 -6.027 -2.725 4.722 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.580 -2.294 2.450 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.845 -2.092 2.592 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.522 -4.006 1.033 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.306 -3.827 1.620 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -7.200 -5.568 -0.827 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.982 -5.387 -0.247 1.00 10.00 H new ATOM 0 HH TYR A 37 -4.040 -6.912 -1.592 1.00 10.00 H new ATOM 617 N ASP A 38 -7.918 -4.326 4.357 1.00 10.00 N ATOM 618 CA ASP A 38 -8.968 -5.332 4.426 1.00 10.00 C ATOM 619 C ASP A 38 -9.493 -5.634 3.030 1.00 10.00 C ATOM 620 O ASP A 38 -9.907 -4.728 2.304 1.00 10.00 O ATOM 621 CB ASP A 38 -10.109 -4.843 5.321 1.00 10.00 C ATOM 622 CG ASP A 38 -10.982 -5.976 5.816 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.736 -6.470 6.935 1.00 10.00 O ATOM 624 OD2 ASP A 38 -11.920 -6.376 5.097 1.00 10.00 O ATOM 0 H ASP A 38 -8.229 -3.380 4.575 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.553 -6.245 4.853 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.693 -4.309 6.175 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.722 -4.131 4.767 1.00 10.00 H new ATOM 629 N LEU A 39 -9.472 -6.900 2.649 1.00 10.00 N ATOM 630 CA LEU A 39 -9.935 -7.292 1.327 1.00 10.00 C ATOM 631 C LEU A 39 -11.372 -7.803 1.370 1.00 10.00 C ATOM 632 O LEU A 39 -12.229 -7.310 0.636 1.00 10.00 O ATOM 633 CB LEU A 39 -9.013 -8.354 0.732 1.00 10.00 C ATOM 634 CG LEU A 39 -8.602 -8.104 -0.721 1.00 10.00 C ATOM 635 CD1 LEU A 39 -7.389 -8.944 -1.082 1.00 10.00 C ATOM 636 CD2 LEU A 39 -9.755 -8.415 -1.660 1.00 10.00 C ATOM 0 H LEU A 39 -9.142 -7.670 3.231 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.912 -6.407 0.691 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -8.113 -8.418 1.344 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.510 -9.322 0.793 1.00 10.00 H new ATOM 0 HG LEU A 39 -8.340 -7.051 -0.828 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -7.110 -8.754 -2.118 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -6.557 -8.681 -0.429 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.628 -10.000 -0.958 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -9.446 -8.232 -2.689 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -10.043 -9.460 -1.548 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -10.604 -7.776 -1.417 1.00 10.00 H new ATOM 648 N GLY A 40 -11.633 -8.788 2.217 1.00 10.00 N ATOM 649 CA GLY A 40 -12.975 -9.326 2.322 1.00 10.00 C ATOM 650 C GLY A 40 -12.992 -10.839 2.391 1.00 10.00 C ATOM 651 O GLY A 40 -12.073 -11.506 1.906 1.00 10.00 O ATOM 0 H GLY A 40 -10.944 -9.223 2.831 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.457 -8.920 3.211 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.562 -8.998 1.464 1.00 10.00 H new ATOM 655 N GLY A 41 -14.032 -11.384 3.002 1.00 10.00 N ATOM 656 CA GLY A 41 -14.153 -12.823 3.123 1.00 10.00 C ATOM 657 C GLY A 41 -13.492 -13.356 4.379 1.00 10.00 C ATOM 658 O GLY A 41 -13.420 -14.569 4.586 1.00 10.00 O ATOM 0 H GLY A 41 -14.798 -10.854 3.418 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.208 -13.097 3.127 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.704 -13.297 2.250 1.00 10.00 H new ATOM 662 N GLY A 42 -12.999 -12.451 5.211 1.00 10.00 N ATOM 663 CA GLY A 42 -12.347 -12.847 6.442 1.00 10.00 C ATOM 664 C GLY A 42 -10.844 -12.683 6.372 1.00 10.00 C ATOM 665 O GLY A 42 -10.180 -12.516 7.394 1.00 10.00 O ATOM 0 H GLY A 42 -13.039 -11.444 5.054 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.738 -12.250 7.266 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.587 -13.888 6.660 1.00 10.00 H new ATOM 669 N LYS A 43 -10.304 -12.724 5.162 1.00 10.00 N ATOM 670 CA LYS A 43 -8.873 -12.575 4.971 1.00 10.00 C ATOM 671 C LYS A 43 -8.553 -11.214 4.375 1.00 10.00 C ATOM 672 O LYS A 43 -9.395 -10.587 3.731 1.00 10.00 O ATOM 673 CB LYS A 43 -8.318 -13.690 4.077 1.00 10.00 C ATOM 674 CG LYS A 43 -8.893 -13.700 2.668 1.00 10.00 C ATOM 675 CD LYS A 43 -9.711 -14.954 2.393 1.00 10.00 C ATOM 676 CE LYS A 43 -8.845 -16.109 1.900 1.00 10.00 C ATOM 677 NZ LYS A 43 -7.968 -16.662 2.966 1.00 10.00 N ATOM 0 H LYS A 43 -10.835 -12.859 4.302 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.395 -12.651 5.947 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.235 -13.586 4.015 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.520 -14.652 4.547 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.520 -12.820 2.527 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.080 -13.632 1.945 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -10.230 -15.254 3.303 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.475 -14.731 1.648 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -9.487 -16.901 1.516 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -8.229 -15.767 1.069 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -7.556 -17.561 2.645 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -7.206 -15.986 3.174 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -8.529 -16.826 3.826 1.00 10.00 H new ATOM 691 N ALA A 44 -7.338 -10.760 4.598 1.00 10.00 N ATOM 692 CA ALA A 44 -6.908 -9.472 4.095 1.00 10.00 C ATOM 693 C ALA A 44 -5.737 -9.627 3.134 1.00 10.00 C ATOM 694 O ALA A 44 -5.332 -10.746 2.798 1.00 10.00 O ATOM 695 CB ALA A 44 -6.531 -8.557 5.254 1.00 10.00 C ATOM 0 H ALA A 44 -6.628 -11.266 5.127 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.736 -9.022 3.547 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.209 -7.591 4.865 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.395 -8.417 5.903 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.719 -9.008 5.824 1.00 10.00 H new ATOM 701 N GLY A 45 -5.209 -8.498 2.694 1.00 10.00 N ATOM 702 CA GLY A 45 -4.085 -8.496 1.788 1.00 10.00 C ATOM 703 C GLY A 45 -2.994 -7.585 2.289 1.00 10.00 C ATOM 704 O GLY A 45 -3.046 -7.127 3.434 1.00 10.00 O ATOM 0 H GLY A 45 -5.545 -7.571 2.953 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.698 -9.509 1.680 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.410 -8.172 0.799 1.00 10.00 H new ATOM 708 N MET A 46 -2.011 -7.317 1.445 1.00 10.00 N ATOM 709 CA MET A 46 -0.898 -6.450 1.812 1.00 10.00 C ATOM 710 C MET A 46 -0.086 -6.087 0.583 1.00 10.00 C ATOM 711 O MET A 46 -0.027 -6.849 -0.383 1.00 10.00 O ATOM 712 CB MET A 46 0.001 -7.123 2.856 1.00 10.00 C ATOM 713 CG MET A 46 0.788 -8.311 2.323 1.00 10.00 C ATOM 714 SD MET A 46 1.492 -9.320 3.642 1.00 10.00 S ATOM 715 CE MET A 46 2.498 -10.450 2.685 1.00 10.00 C ATOM 0 H MET A 46 -1.959 -7.688 0.496 1.00 10.00 H new ATOM 0 HA MET A 46 -1.308 -5.540 2.249 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.700 -6.384 3.249 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.616 -7.454 3.692 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.135 -8.929 1.707 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.589 -7.952 1.677 1.00 10.00 H new ATOM 0 HE1 MET A 46 3.322 -10.814 3.299 1.00 10.00 H new ATOM 0 HE2 MET A 46 1.889 -11.293 2.359 1.00 10.00 H new ATOM 0 HE3 MET A 46 2.897 -9.932 1.813 1.00 10.00 H new ATOM 725 N GLY A 47 0.529 -4.922 0.620 1.00 10.00 N ATOM 726 CA GLY A 47 1.329 -4.474 -0.493 1.00 10.00 C ATOM 727 C GLY A 47 2.533 -3.690 -0.032 1.00 10.00 C ATOM 728 O GLY A 47 2.453 -2.938 0.941 1.00 10.00 O ATOM 0 H GLY A 47 0.488 -4.274 1.406 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.656 -5.335 -1.076 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.721 -3.854 -1.152 1.00 10.00 H new ATOM 732 N MET A 48 3.644 -3.866 -0.717 1.00 10.00 N ATOM 733 CA MET A 48 4.863 -3.168 -0.372 1.00 10.00 C ATOM 734 C MET A 48 5.378 -2.398 -1.581 1.00 10.00 C ATOM 735 O MET A 48 5.685 -2.982 -2.619 1.00 10.00 O ATOM 736 CB MET A 48 5.908 -4.160 0.127 1.00 10.00 C ATOM 737 CG MET A 48 6.994 -3.529 0.982 1.00 10.00 C ATOM 738 SD MET A 48 7.830 -4.731 2.039 1.00 10.00 S ATOM 739 CE MET A 48 8.346 -5.944 0.823 1.00 10.00 C ATOM 0 H MET A 48 3.727 -4.490 -1.520 1.00 10.00 H new ATOM 0 HA MET A 48 4.658 -2.456 0.428 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.410 -4.938 0.705 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.371 -4.648 -0.731 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.727 -3.048 0.335 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.555 -2.748 1.603 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.080 -6.615 1.268 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.481 -6.519 0.493 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.791 -5.435 -0.032 1.00 10.00 H new ATOM 749 N VAL A 49 5.444 -1.086 -1.447 1.00 10.00 N ATOM 750 CA VAL A 49 5.908 -0.237 -2.532 1.00 10.00 C ATOM 751 C VAL A 49 7.177 0.511 -2.126 1.00 10.00 C ATOM 752 O VAL A 49 7.444 0.704 -0.939 1.00 10.00 O ATOM 753 CB VAL A 49 4.811 0.771 -2.965 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.642 1.879 -1.934 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.123 1.351 -4.336 1.00 10.00 C ATOM 0 H VAL A 49 5.183 -0.584 -0.598 1.00 10.00 H new ATOM 0 HA VAL A 49 6.135 -0.881 -3.382 1.00 10.00 H new ATOM 0 HB VAL A 49 3.867 0.230 -3.029 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.867 2.569 -2.266 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.355 1.444 -0.976 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.583 2.417 -1.821 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.341 2.055 -4.620 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.082 1.868 -4.303 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.170 0.546 -5.069 1.00 10.00 H new ATOM 765 N SER A 50 7.969 0.900 -3.111 1.00 10.00 N ATOM 766 CA SER A 50 9.193 1.633 -2.855 1.00 10.00 C ATOM 767 C SER A 50 8.932 3.134 -2.924 1.00 10.00 C ATOM 768 O SER A 50 8.122 3.592 -3.734 1.00 10.00 O ATOM 769 CB SER A 50 10.255 1.237 -3.881 1.00 10.00 C ATOM 770 OG SER A 50 10.273 -0.170 -4.084 1.00 10.00 O ATOM 0 H SER A 50 7.784 0.719 -4.098 1.00 10.00 H new ATOM 0 HA SER A 50 9.552 1.387 -1.856 1.00 10.00 H new ATOM 0 HB2 SER A 50 10.057 1.741 -4.827 1.00 10.00 H new ATOM 0 HB3 SER A 50 11.235 1.571 -3.541 1.00 10.00 H new ATOM 0 HG SER A 50 10.960 -0.396 -4.746 1.00 10.00 H new ATOM 776 N GLU A 51 9.623 3.894 -2.084 1.00 10.00 N ATOM 777 CA GLU A 51 9.468 5.345 -2.048 1.00 10.00 C ATOM 778 C GLU A 51 9.863 5.977 -3.380 1.00 10.00 C ATOM 779 O GLU A 51 9.370 7.046 -3.744 1.00 10.00 O ATOM 780 CB GLU A 51 10.327 5.949 -0.942 1.00 10.00 C ATOM 781 CG GLU A 51 9.958 5.496 0.456 1.00 10.00 C ATOM 782 CD GLU A 51 10.444 6.467 1.512 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.671 6.691 1.604 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.604 7.028 2.242 1.00 10.00 O ATOM 0 H GLU A 51 10.300 3.528 -1.415 1.00 10.00 H new ATOM 0 HA GLU A 51 8.416 5.553 -1.853 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.370 5.695 -1.129 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.250 7.035 -0.991 1.00 10.00 H new ATOM 0 HG2 GLU A 51 8.876 5.392 0.530 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.387 4.512 0.643 1.00 10.00 H new ATOM 791 N LYS A 52 10.769 5.317 -4.094 1.00 10.00 N ATOM 792 CA LYS A 52 11.245 5.809 -5.384 1.00 10.00 C ATOM 793 C LYS A 52 10.279 5.451 -6.514 1.00 10.00 C ATOM 794 O LYS A 52 10.453 5.893 -7.649 1.00 10.00 O ATOM 795 CB LYS A 52 12.628 5.225 -5.695 1.00 10.00 C ATOM 796 CG LYS A 52 13.706 5.619 -4.698 1.00 10.00 C ATOM 797 CD LYS A 52 15.031 4.950 -5.027 1.00 10.00 C ATOM 798 CE LYS A 52 16.050 5.157 -3.921 1.00 10.00 C ATOM 799 NZ LYS A 52 17.354 4.527 -4.248 1.00 10.00 N ATOM 0 H LYS A 52 11.191 4.436 -3.800 1.00 10.00 H new ATOM 0 HA LYS A 52 11.308 6.895 -5.317 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.554 4.138 -5.723 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.932 5.549 -6.690 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.831 6.702 -4.703 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.394 5.339 -3.692 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.872 3.883 -5.181 1.00 10.00 H new ATOM 0 HD3 LYS A 52 15.421 5.353 -5.962 1.00 10.00 H new ATOM 0 HE2 LYS A 52 16.194 6.225 -3.754 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.667 4.738 -2.991 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 18.023 4.690 -3.469 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.221 3.504 -4.382 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.732 4.945 -5.122 1.00 10.00 H new ATOM 813 N ASP A 53 9.263 4.659 -6.205 1.00 10.00 N ATOM 814 CA ASP A 53 8.298 4.243 -7.217 1.00 10.00 C ATOM 815 C ASP A 53 6.935 4.879 -6.997 1.00 10.00 C ATOM 816 O ASP A 53 6.248 5.234 -7.955 1.00 10.00 O ATOM 817 CB ASP A 53 8.160 2.720 -7.232 1.00 10.00 C ATOM 818 CG ASP A 53 9.011 2.071 -8.304 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.825 2.393 -9.499 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.862 1.224 -7.961 1.00 10.00 O ATOM 0 H ASP A 53 9.084 4.293 -5.270 1.00 10.00 H new ATOM 0 HA ASP A 53 8.677 4.583 -8.181 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.444 2.323 -6.257 1.00 10.00 H new ATOM 0 HB3 ASP A 53 7.115 2.455 -7.392 1.00 10.00 H new ATOM 825 N ALA A 54 6.541 5.011 -5.741 1.00 10.00 N ATOM 826 CA ALA A 54 5.250 5.591 -5.404 1.00 10.00 C ATOM 827 C ALA A 54 5.268 7.112 -5.547 1.00 10.00 C ATOM 828 O ALA A 54 6.223 7.769 -5.124 1.00 10.00 O ATOM 829 CB ALA A 54 4.853 5.189 -3.990 1.00 10.00 C ATOM 0 H ALA A 54 7.098 4.724 -4.936 1.00 10.00 H new ATOM 0 HA ALA A 54 4.509 5.205 -6.104 1.00 10.00 H new ATOM 0 HB1 ALA A 54 3.885 5.627 -3.745 1.00 10.00 H new ATOM 0 HB2 ALA A 54 4.786 4.103 -3.926 1.00 10.00 H new ATOM 0 HB3 ALA A 54 5.603 5.549 -3.285 1.00 10.00 H new ATOM 835 N PRO A 55 4.217 7.690 -6.155 1.00 10.00 N ATOM 836 CA PRO A 55 4.106 9.142 -6.345 1.00 10.00 C ATOM 837 C PRO A 55 4.062 9.897 -5.017 1.00 10.00 C ATOM 838 O PRO A 55 3.544 9.389 -4.020 1.00 10.00 O ATOM 839 CB PRO A 55 2.778 9.316 -7.089 1.00 10.00 C ATOM 840 CG PRO A 55 2.458 7.977 -7.655 1.00 10.00 C ATOM 841 CD PRO A 55 3.063 6.971 -6.722 1.00 10.00 C ATOM 0 HA PRO A 55 4.966 9.542 -6.883 1.00 10.00 H new ATOM 0 HB2 PRO A 55 1.992 9.654 -6.414 1.00 10.00 H new ATOM 0 HB3 PRO A 55 2.865 10.064 -7.877 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.380 7.836 -7.734 1.00 10.00 H new ATOM 0 HG3 PRO A 55 2.868 7.871 -8.660 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.359 6.665 -5.948 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.370 6.067 -7.248 1.00 10.00 H new ATOM 849 N LYS A 56 4.588 11.118 -5.018 1.00 10.00 N ATOM 850 CA LYS A 56 4.628 11.949 -3.817 1.00 10.00 C ATOM 851 C LYS A 56 3.226 12.269 -3.308 1.00 10.00 C ATOM 852 O LYS A 56 2.999 12.333 -2.099 1.00 10.00 O ATOM 853 CB LYS A 56 5.397 13.242 -4.083 1.00 10.00 C ATOM 854 CG LYS A 56 6.904 13.071 -4.026 1.00 10.00 C ATOM 855 CD LYS A 56 7.620 14.409 -4.113 1.00 10.00 C ATOM 856 CE LYS A 56 9.079 14.281 -3.717 1.00 10.00 C ATOM 857 NZ LYS A 56 9.818 15.554 -3.896 1.00 10.00 N ATOM 0 H LYS A 56 4.996 11.557 -5.843 1.00 10.00 H new ATOM 0 HA LYS A 56 5.145 11.380 -3.044 1.00 10.00 H new ATOM 0 HB2 LYS A 56 5.119 13.625 -5.065 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.096 13.992 -3.351 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.179 12.569 -3.098 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.230 12.429 -4.844 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.550 14.796 -5.130 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.126 15.131 -3.462 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.145 13.967 -2.675 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.550 13.501 -4.316 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.810 15.422 -3.614 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.777 15.842 -4.895 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.385 16.293 -3.305 1.00 10.00 H new ATOM 871 N GLU A 57 2.285 12.462 -4.222 1.00 10.00 N ATOM 872 CA GLU A 57 0.910 12.758 -3.842 1.00 10.00 C ATOM 873 C GLU A 57 0.321 11.585 -3.069 1.00 10.00 C ATOM 874 O GLU A 57 -0.285 11.764 -2.011 1.00 10.00 O ATOM 875 CB GLU A 57 0.054 13.056 -5.074 1.00 10.00 C ATOM 876 CG GLU A 57 -1.407 13.331 -4.744 1.00 10.00 C ATOM 877 CD GLU A 57 -2.208 13.805 -5.938 1.00 10.00 C ATOM 878 OE1 GLU A 57 -2.061 13.219 -7.031 1.00 10.00 O ATOM 879 OE2 GLU A 57 -3.004 14.759 -5.783 1.00 10.00 O ATOM 0 H GLU A 57 2.447 12.419 -5.228 1.00 10.00 H new ATOM 0 HA GLU A 57 0.913 13.643 -3.206 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.469 13.918 -5.596 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.111 12.211 -5.760 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.861 12.423 -4.348 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.460 14.083 -3.957 1.00 10.00 H new ATOM 886 N LEU A 58 0.519 10.381 -3.592 1.00 10.00 N ATOM 887 CA LEU A 58 0.014 9.184 -2.934 1.00 10.00 C ATOM 888 C LEU A 58 0.783 8.948 -1.640 1.00 10.00 C ATOM 889 O LEU A 58 0.233 8.455 -0.658 1.00 10.00 O ATOM 890 CB LEU A 58 0.114 7.970 -3.865 1.00 10.00 C ATOM 891 CG LEU A 58 -0.700 8.074 -5.162 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.699 6.746 -5.905 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.128 8.520 -4.875 1.00 10.00 C ATOM 0 H LEU A 58 1.022 10.209 -4.463 1.00 10.00 H new ATOM 0 HA LEU A 58 -1.039 9.327 -2.693 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.162 7.815 -4.123 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.213 7.085 -3.319 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.228 8.826 -5.795 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.281 6.841 -6.821 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.325 6.469 -6.153 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -1.140 5.975 -5.273 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.684 8.586 -5.810 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.610 7.797 -4.217 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.114 9.497 -4.392 1.00 10.00 H new ATOM 905 N LEU A 59 2.053 9.334 -1.644 1.00 10.00 N ATOM 906 CA LEU A 59 2.905 9.204 -0.470 1.00 10.00 C ATOM 907 C LEU A 59 2.364 10.086 0.651 1.00 10.00 C ATOM 908 O LEU A 59 2.415 9.722 1.826 1.00 10.00 O ATOM 909 CB LEU A 59 4.345 9.605 -0.806 1.00 10.00 C ATOM 910 CG LEU A 59 5.419 8.586 -0.420 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.302 7.341 -1.277 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.804 9.200 -0.553 1.00 10.00 C ATOM 0 H LEU A 59 2.518 9.743 -2.455 1.00 10.00 H new ATOM 0 HA LEU A 59 2.905 8.164 -0.145 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.412 9.789 -1.878 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.567 10.548 -0.307 1.00 10.00 H new ATOM 0 HG LEU A 59 5.268 8.300 0.621 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.074 6.627 -0.989 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.320 6.891 -1.133 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.429 7.608 -2.326 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.557 8.463 -0.275 1.00 10.00 H new ATOM 0 HD22 LEU A 59 6.966 9.513 -1.585 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.883 10.065 0.105 1.00 10.00 H new ATOM 924 N GLN A 60 1.837 11.247 0.269 1.00 10.00 N ATOM 925 CA GLN A 60 1.253 12.178 1.222 1.00 10.00 C ATOM 926 C GLN A 60 -0.014 11.573 1.813 1.00 10.00 C ATOM 927 O GLN A 60 -0.318 11.756 2.991 1.00 10.00 O ATOM 928 CB GLN A 60 0.940 13.510 0.535 1.00 10.00 C ATOM 929 CG GLN A 60 0.428 14.591 1.474 1.00 10.00 C ATOM 930 CD GLN A 60 1.450 15.006 2.522 1.00 10.00 C ATOM 931 OE1 GLN A 60 2.723 14.975 2.163 1.00 10.00 O flip ATOM 932 NE2 GLN A 60 1.095 15.375 3.641 1.00 10.00 N flip ATOM 0 H GLN A 60 1.804 11.564 -0.700 1.00 10.00 H new ATOM 0 HA GLN A 60 1.965 12.366 2.025 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.842 13.871 0.040 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.196 13.339 -0.243 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.141 15.465 0.890 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.471 14.233 1.975 1.00 10.00 H new ATOM 0 HE21 GLN A 60 0.104 15.386 3.884 1.00 10.00 H new ATOM 0 HE22 GLN A 60 1.791 15.670 4.326 1.00 10.00 H new ATOM 941 N MET A 61 -0.739 10.833 0.983 1.00 10.00 N ATOM 942 CA MET A 61 -1.965 10.175 1.413 1.00 10.00 C ATOM 943 C MET A 61 -1.633 9.037 2.373 1.00 10.00 C ATOM 944 O MET A 61 -2.421 8.707 3.260 1.00 10.00 O ATOM 945 CB MET A 61 -2.743 9.629 0.211 1.00 10.00 C ATOM 946 CG MET A 61 -3.259 10.702 -0.734 1.00 10.00 C ATOM 947 SD MET A 61 -4.220 10.018 -2.102 1.00 10.00 S ATOM 948 CE MET A 61 -5.675 9.433 -1.235 1.00 10.00 C ATOM 0 H MET A 61 -0.497 10.674 0.005 1.00 10.00 H new ATOM 0 HA MET A 61 -2.589 10.910 1.922 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.099 8.949 -0.346 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.587 9.043 0.574 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.877 11.405 -0.176 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.416 11.266 -1.133 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.451 9.180 -1.957 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.420 8.549 -0.651 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.040 10.214 -0.569 1.00 10.00 H new ATOM 958 N LEU A 62 -0.452 8.449 2.189 1.00 10.00 N ATOM 959 CA LEU A 62 0.003 7.350 3.032 1.00 10.00 C ATOM 960 C LEU A 62 0.329 7.854 4.430 1.00 10.00 C ATOM 961 O LEU A 62 0.111 7.151 5.412 1.00 10.00 O ATOM 962 CB LEU A 62 1.232 6.676 2.420 1.00 10.00 C ATOM 963 CG LEU A 62 0.995 5.986 1.075 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.243 5.244 0.626 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.193 5.036 1.157 1.00 10.00 C ATOM 0 H LEU A 62 0.208 8.719 1.460 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.800 6.616 3.100 1.00 10.00 H new ATOM 0 HB2 LEU A 62 2.012 7.426 2.293 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.612 5.938 3.127 1.00 10.00 H new ATOM 0 HG LEU A 62 0.767 6.753 0.335 1.00 10.00 H new ATOM 0 HD11 LEU A 62 2.054 4.760 -0.332 1.00 10.00 H new ATOM 0 HD12 LEU A 62 3.067 5.949 0.520 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.504 4.489 1.368 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.343 4.557 0.190 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.001 4.275 1.913 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.088 5.596 1.427 1.00 10.00 H new ATOM 977 N GLU A 63 0.832 9.081 4.512 1.00 10.00 N ATOM 978 CA GLU A 63 1.172 9.687 5.800 1.00 10.00 C ATOM 979 C GLU A 63 -0.070 9.794 6.678 1.00 10.00 C ATOM 980 O GLU A 63 -0.018 9.576 7.889 1.00 10.00 O ATOM 981 CB GLU A 63 1.771 11.082 5.596 1.00 10.00 C ATOM 982 CG GLU A 63 3.093 11.087 4.850 1.00 10.00 C ATOM 983 CD GLU A 63 4.231 10.520 5.674 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.680 11.195 6.622 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.693 9.399 5.374 1.00 10.00 O ATOM 0 H GLU A 63 1.014 9.677 3.705 1.00 10.00 H new ATOM 0 HA GLU A 63 1.908 9.051 6.291 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.056 11.696 5.049 1.00 10.00 H new ATOM 0 HB3 GLU A 63 1.914 11.550 6.570 1.00 10.00 H new ATOM 0 HG2 GLU A 63 2.990 10.507 3.933 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.336 12.108 4.556 1.00 10.00 H new ATOM 992 N LYS A 64 -1.189 10.104 6.040 1.00 10.00 N ATOM 993 CA LYS A 64 -2.462 10.256 6.731 1.00 10.00 C ATOM 994 C LYS A 64 -2.955 8.923 7.289 1.00 10.00 C ATOM 995 O LYS A 64 -3.738 8.892 8.237 1.00 10.00 O ATOM 996 CB LYS A 64 -3.504 10.843 5.775 1.00 10.00 C ATOM 997 CG LYS A 64 -3.069 12.153 5.130 1.00 10.00 C ATOM 998 CD LYS A 64 -4.149 12.715 4.220 1.00 10.00 C ATOM 999 CE LYS A 64 -3.697 14.009 3.554 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.757 14.607 2.697 1.00 10.00 N ATOM 0 H LYS A 64 -1.241 10.257 5.033 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.314 10.936 7.570 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.718 10.115 4.992 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.434 11.007 6.320 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.832 12.880 5.906 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -2.157 11.991 4.556 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.402 11.980 3.456 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -5.055 12.899 4.798 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.406 14.727 4.321 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -2.812 13.813 2.949 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -4.401 15.484 2.267 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -5.018 13.935 1.948 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -5.593 14.820 3.277 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.486 7.825 6.705 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.891 6.493 7.142 1.00 10.00 C ATOM 1016 C GLN A 65 -1.755 5.782 7.875 1.00 10.00 C ATOM 1017 O GLN A 65 -1.870 4.608 8.236 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.347 5.652 5.944 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.577 6.205 5.238 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.787 6.323 6.147 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -5.895 5.431 7.120 1.00 10.00 O flip ATOM 1022 NE2 GLN A 65 -6.625 7.205 5.965 1.00 10.00 N flip ATOM 0 H GLN A 65 -1.825 7.831 5.928 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.725 6.610 7.834 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.528 5.583 5.228 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.559 4.638 6.283 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.342 7.187 4.828 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.825 5.559 4.396 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.505 7.873 5.204 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.440 7.268 6.575 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.657 6.494 8.088 1.00 10.00 N ATOM 1032 CA LYS A 66 0.493 5.933 8.783 1.00 10.00 C ATOM 1033 C LYS A 66 0.269 5.991 10.287 1.00 10.00 C ATOM 1034 O LYS A 66 0.302 7.065 10.890 1.00 10.00 O ATOM 1035 CB LYS A 66 1.772 6.686 8.409 1.00 10.00 C ATOM 1036 CG LYS A 66 3.041 6.042 8.950 1.00 10.00 C ATOM 1037 CD LYS A 66 4.276 6.538 8.211 1.00 10.00 C ATOM 1038 CE LYS A 66 4.645 7.957 8.614 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.695 8.528 7.731 1.00 10.00 N ATOM 0 H LYS A 66 -0.538 7.462 7.789 1.00 10.00 H new ATOM 0 HA LYS A 66 0.608 4.892 8.480 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.842 6.749 7.323 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.705 7.707 8.784 1.00 10.00 H new ATOM 0 HG2 LYS A 66 3.138 6.263 10.013 1.00 10.00 H new ATOM 0 HG3 LYS A 66 2.969 4.958 8.855 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.114 5.872 8.417 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.096 6.501 7.137 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.757 8.588 8.577 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.996 7.962 9.646 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 5.919 9.496 8.039 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 6.552 7.941 7.786 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 5.351 8.547 6.750 1.00 10.00 H new ATOM 1053 N LYS A 67 0.039 4.834 10.886 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.209 4.749 12.317 1.00 10.00 C ATOM 1055 C LYS A 67 0.962 4.087 13.031 1.00 10.00 C ATOM 1056 O LYS A 67 2.117 4.278 12.642 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.503 3.972 12.574 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.688 4.503 11.780 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.982 3.792 12.140 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.125 4.263 11.257 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.448 3.843 11.784 1.00 10.00 N ATOM 0 H LYS A 67 0.019 3.937 10.401 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.317 5.759 12.713 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.346 2.923 12.322 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.739 4.013 13.637 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.798 5.571 11.965 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.493 4.383 10.714 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.852 2.715 12.030 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.225 3.979 13.186 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.096 5.350 11.176 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.993 3.865 10.251 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.199 4.186 11.151 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -6.487 2.805 11.837 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.587 4.244 12.734 1.00 10.00 H new TER 1075 LYS A 67 ATOM 1076 N GLY B 3 -7.653 -18.391 -1.826 1.00 10.00 N ATOM 1077 CA GLY B 3 -8.278 -17.172 -2.293 1.00 10.00 C ATOM 1078 C GLY B 3 -7.376 -15.964 -2.129 1.00 10.00 C ATOM 1079 O GLY B 3 -6.217 -15.987 -2.553 1.00 10.00 O ATOM 0 HA2 GLY B 3 -8.546 -17.283 -3.344 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -9.205 -17.008 -1.744 1.00 10.00 H new ATOM 1083 N GLU B 4 -7.898 -14.912 -1.514 1.00 10.00 N ATOM 1084 CA GLU B 4 -7.122 -13.693 -1.308 1.00 10.00 C ATOM 1085 C GLU B 4 -6.047 -13.907 -0.248 1.00 10.00 C ATOM 1086 O GLU B 4 -6.256 -14.632 0.727 1.00 10.00 O ATOM 1087 CB GLU B 4 -8.031 -12.526 -0.919 1.00 10.00 C ATOM 1088 CG GLU B 4 -9.132 -12.249 -1.927 1.00 10.00 C ATOM 1089 CD GLU B 4 -8.621 -12.153 -3.351 1.00 10.00 C ATOM 1090 OE1 GLU B 4 -9.073 -12.952 -4.199 1.00 10.00 O ATOM 1091 OE2 GLU B 4 -7.776 -11.279 -3.633 1.00 10.00 O ATOM 0 H GLU B 4 -8.850 -14.876 -1.150 1.00 10.00 H new ATOM 0 HA GLU B 4 -6.632 -13.445 -2.250 1.00 10.00 H new ATOM 0 HB2 GLU B 4 -8.482 -12.736 0.051 1.00 10.00 H new ATOM 0 HB3 GLU B 4 -7.424 -11.628 -0.800 1.00 10.00 H new ATOM 0 HG2 GLU B 4 -9.879 -13.041 -1.868 1.00 10.00 H new ATOM 0 HG3 GLU B 4 -9.633 -11.318 -1.663 1.00 10.00 H new ATOM 1098 N GLY B 5 -4.900 -13.278 -0.451 1.00 10.00 N ATOM 1099 CA GLY B 5 -3.796 -13.407 0.477 1.00 10.00 C ATOM 1100 C GLY B 5 -2.466 -13.436 -0.250 1.00 10.00 C ATOM 1101 O GLY B 5 -1.745 -14.435 -0.216 1.00 10.00 O ATOM 0 H GLY B 5 -4.713 -12.674 -1.251 1.00 10.00 H new ATOM 0 HA2 GLY B 5 -3.810 -12.575 1.180 1.00 10.00 H new ATOM 0 HA3 GLY B 5 -3.914 -14.320 1.061 1.00 10.00 H new ATOM 1105 N GLU B 6 -2.157 -12.338 -0.923 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.923 -12.203 -1.683 1.00 10.00 C ATOM 1107 C GLU B 6 0.308 -12.259 -0.777 1.00 10.00 C ATOM 1108 O GLU B 6 0.220 -12.026 0.433 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.945 -10.894 -2.485 1.00 10.00 C ATOM 1110 CG GLU B 6 -1.195 -9.651 -1.638 1.00 10.00 C ATOM 1111 CD GLU B 6 -2.669 -9.314 -1.473 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.975 -8.149 -1.138 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.523 -10.203 -1.671 1.00 10.00 O ATOM 0 H GLU B 6 -2.756 -11.513 -0.958 1.00 10.00 H new ATOM 0 HA GLU B 6 -0.856 -13.045 -2.372 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.007 -10.782 -3.004 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.719 -10.962 -3.250 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -0.752 -9.797 -0.653 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -0.685 -8.802 -2.094 1.00 10.00 H new ATOM 1120 N GLU B 7 1.457 -12.571 -1.373 1.00 10.00 N ATOM 1121 CA GLU B 7 2.706 -12.684 -0.629 1.00 10.00 C ATOM 1122 C GLU B 7 3.750 -11.693 -1.148 1.00 10.00 C ATOM 1123 O GLU B 7 3.569 -11.086 -2.207 1.00 10.00 O ATOM 1124 CB GLU B 7 3.238 -14.117 -0.728 1.00 10.00 C ATOM 1125 CG GLU B 7 2.286 -15.153 -0.144 1.00 10.00 C ATOM 1126 CD GLU B 7 2.709 -16.579 -0.435 1.00 10.00 C ATOM 1127 OE1 GLU B 7 3.811 -16.977 -0.004 1.00 10.00 O ATOM 1128 OE2 GLU B 7 1.933 -17.316 -1.078 1.00 10.00 O ATOM 0 H GLU B 7 1.547 -12.750 -2.373 1.00 10.00 H new ATOM 0 HA GLU B 7 2.508 -12.444 0.416 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.427 -14.356 -1.775 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.195 -14.179 -0.209 1.00 10.00 H new ATOM 0 HG2 GLU B 7 2.222 -15.012 0.935 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.287 -14.987 -0.546 1.00 10.00 H new ATOM 1135 N GLU B 8 4.838 -11.539 -0.395 1.00 10.00 N ATOM 1136 CA GLU B 8 5.923 -10.630 -0.766 1.00 10.00 C ATOM 1137 C GLU B 8 7.276 -11.227 -0.415 1.00 10.00 C ATOM 1138 O GLU B 8 7.358 -12.205 0.333 1.00 10.00 O ATOM 1139 CB GLU B 8 5.782 -9.278 -0.058 1.00 10.00 C ATOM 1140 CG GLU B 8 5.277 -8.168 -0.956 1.00 10.00 C ATOM 1141 CD GLU B 8 6.342 -7.681 -1.926 1.00 10.00 C ATOM 1142 OE1 GLU B 8 7.234 -8.480 -2.289 1.00 10.00 O ATOM 1143 OE2 GLU B 8 6.294 -6.499 -2.324 1.00 10.00 O ATOM 0 H GLU B 8 4.992 -12.036 0.482 1.00 10.00 H new ATOM 0 HA GLU B 8 5.858 -10.480 -1.844 1.00 10.00 H new ATOM 0 HB2 GLU B 8 5.100 -9.389 0.785 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.750 -8.990 0.351 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.412 -8.523 -1.517 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.938 -7.333 -0.343 1.00 10.00 H new ATOM 1150 N GLY B 9 8.331 -10.624 -0.946 1.00 10.00 N ATOM 1151 CA GLY B 9 9.672 -11.101 -0.683 1.00 10.00 C ATOM 1152 C GLY B 9 10.740 -10.163 -1.214 1.00 10.00 C ATOM 1153 O GLY B 9 11.470 -10.510 -2.144 1.00 10.00 O ATOM 0 H GLY B 9 8.280 -9.809 -1.557 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.805 -11.226 0.392 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.799 -12.084 -1.136 1.00 10.00 H new ATOM 1157 N GLU B 10 10.828 -8.975 -0.631 1.00 10.00 N ATOM 1158 CA GLU B 10 11.827 -7.999 -1.045 1.00 10.00 C ATOM 1159 C GLU B 10 12.930 -7.918 -0.001 1.00 10.00 C ATOM 1160 O GLU B 10 12.654 -7.861 1.198 1.00 10.00 O ATOM 1161 CB GLU B 10 11.208 -6.612 -1.237 1.00 10.00 C ATOM 1162 CG GLU B 10 11.885 -5.796 -2.323 1.00 10.00 C ATOM 1163 CD GLU B 10 11.720 -6.412 -3.695 1.00 10.00 C ATOM 1164 OE1 GLU B 10 12.729 -6.896 -4.253 1.00 10.00 O ATOM 1165 OE2 GLU B 10 10.587 -6.411 -4.221 1.00 10.00 O ATOM 0 H GLU B 10 10.221 -8.664 0.128 1.00 10.00 H new ATOM 0 HA GLU B 10 12.239 -8.326 -2.000 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.152 -6.724 -1.482 1.00 10.00 H new ATOM 0 HB3 GLU B 10 11.261 -6.065 -0.296 1.00 10.00 H new ATOM 0 HG2 GLU B 10 11.470 -4.788 -2.328 1.00 10.00 H new ATOM 0 HG3 GLU B 10 12.947 -5.703 -2.095 1.00 10.00 H new ATOM 1172 N GLU B 11 14.168 -7.918 -0.454 1.00 10.00 N ATOM 1173 CA GLU B 11 15.304 -7.840 0.446 1.00 10.00 C ATOM 1174 C GLU B 11 15.714 -6.385 0.634 1.00 10.00 C ATOM 1175 O GLU B 11 15.900 -5.656 -0.337 1.00 10.00 O ATOM 1176 CB GLU B 11 16.474 -8.659 -0.103 1.00 10.00 C ATOM 1177 CG GLU B 11 17.660 -8.733 0.844 1.00 10.00 C ATOM 1178 CD GLU B 11 17.309 -9.376 2.171 1.00 10.00 C ATOM 1179 OE1 GLU B 11 16.845 -8.658 3.082 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.500 -10.599 2.311 1.00 10.00 O ATOM 0 H GLU B 11 14.414 -7.971 -1.442 1.00 10.00 H new ATOM 0 HA GLU B 11 15.020 -8.254 1.413 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.129 -9.670 -0.320 1.00 10.00 H new ATOM 0 HB3 GLU B 11 16.800 -8.224 -1.048 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.462 -9.299 0.371 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.041 -7.727 1.022 1.00 10.00 H new ATOM 1187 N TYR B 12 15.834 -5.965 1.884 1.00 10.00 N ATOM 1188 CA TYR B 12 16.221 -4.596 2.195 1.00 10.00 C ATOM 1189 C TYR B 12 17.725 -4.406 2.022 1.00 10.00 C ATOM 1190 O TYR B 12 18.526 -5.188 2.545 1.00 10.00 O ATOM 1191 CB TYR B 12 15.811 -4.246 3.627 1.00 10.00 C ATOM 1192 CG TYR B 12 15.549 -2.772 3.837 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.599 -1.870 3.936 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.252 -2.284 3.935 1.00 10.00 C ATOM 1195 CE1 TYR B 12 16.368 -0.524 4.124 1.00 10.00 C ATOM 1196 CE2 TYR B 12 14.011 -0.938 4.125 1.00 10.00 C ATOM 1197 CZ TYR B 12 15.073 -0.062 4.220 1.00 10.00 C ATOM 1198 OH TYR B 12 14.836 1.282 4.399 1.00 10.00 O ATOM 0 H TYR B 12 15.669 -6.553 2.701 1.00 10.00 H new ATOM 0 HA TYR B 12 15.707 -3.929 1.503 1.00 10.00 H new ATOM 0 HB2 TYR B 12 14.913 -4.807 3.887 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.597 -4.568 4.310 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.615 -2.229 3.864 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.420 -2.968 3.861 1.00 10.00 H new ATOM 0 HE1 TYR B 12 17.197 0.165 4.196 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.997 -0.573 4.199 1.00 10.00 H new ATOM 0 HH TYR B 12 15.555 1.800 3.980 1.00 10.00 H new TER 1208 TYR B 12