USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 627 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 Set 1.1: A 55 THR OG1 : rot -42:sc= 1.25 USER MOD Set 1.2: A 57 SER OG : rot -40:sc= 0.0122 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -176:sc= 2.08 (180deg=1.31) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.706 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.000753) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.02 (180deg=0.908) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.0049) USER MOD Single : A 7 THR OG1 : rot 160:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.25) USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.925 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.027 K(o=-0.027,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.115) USER MOD Single : A 31 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.29) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.854 K(o=0.85,f=-0.45) USER MOD Single : A 41 GLN : amide:sc= 0.1 K(o=0.1,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0177) USER MOD Single : A 49 GLN : amide:sc= 0.00145 K(o=0.0015,f=-1.9) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.188 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= -0.0748 (180deg=-0.689) USER MOD Single : A 65 SER OG : rot 97:sc= 0.849 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.990 43.590 -11.899 1.00 0.00 N ATOM 2 CA MET A 1 -6.222 44.253 -10.520 1.00 0.00 C ATOM 3 C MET A 1 -4.923 44.699 -9.803 1.00 0.00 C ATOM 4 O MET A 1 -3.893 44.053 -9.963 1.00 0.00 O ATOM 5 CB MET A 1 -7.154 43.336 -9.668 1.00 0.00 C ATOM 6 CG MET A 1 -6.440 42.451 -8.575 1.00 0.00 C ATOM 7 SD MET A 1 -5.891 40.856 -9.251 1.00 0.00 S ATOM 8 CE MET A 1 -5.866 39.696 -7.814 1.00 0.00 C ATOM 0 H1 MET A 1 -6.880 43.170 -12.236 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.666 44.307 -12.579 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.268 42.847 -11.810 1.00 0.00 H new ATOM 0 HA MET A 1 -6.733 45.204 -10.674 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.894 43.964 -9.172 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.698 42.676 -10.344 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.582 42.991 -8.174 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.124 42.278 -7.744 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.526 38.715 -8.144 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.188 40.077 -7.051 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.870 39.611 -7.398 1.00 0.00 H new ATOM 18 N GLN A 2 -4.984 45.830 -9.038 1.00 0.00 N ATOM 19 CA GLN A 2 -3.784 46.325 -8.273 1.00 0.00 C ATOM 20 C GLN A 2 -3.785 45.845 -6.832 1.00 0.00 C ATOM 21 O GLN A 2 -4.828 45.896 -6.155 1.00 0.00 O ATOM 22 CB GLN A 2 -3.634 47.861 -8.367 1.00 0.00 C ATOM 23 CG GLN A 2 -4.650 48.643 -7.506 1.00 0.00 C ATOM 24 CD GLN A 2 -4.682 50.155 -7.764 1.00 0.00 C ATOM 25 OE1 GLN A 2 -4.132 50.973 -6.971 1.00 0.00 O ATOM 26 NE2 GLN A 2 -5.285 50.621 -8.812 1.00 0.00 N ATOM 0 H GLN A 2 -5.820 46.404 -8.932 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.907 45.888 -8.750 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.625 48.137 -8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.746 48.164 -9.408 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.646 48.237 -7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.421 48.473 -6.454 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.736 49.982 -9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.308 51.626 -8.982 1.00 0.00 H new ATOM 35 N ILE A 3 -2.593 45.384 -6.333 1.00 0.00 N ATOM 36 CA ILE A 3 -2.449 44.868 -4.950 1.00 0.00 C ATOM 37 C ILE A 3 -1.324 45.593 -4.265 1.00 0.00 C ATOM 38 O ILE A 3 -0.402 46.097 -4.933 1.00 0.00 O ATOM 39 CB ILE A 3 -2.078 43.384 -4.849 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.787 43.061 -5.644 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.269 42.493 -5.219 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.204 41.660 -5.158 1.00 0.00 C ATOM 0 H ILE A 3 -1.728 45.364 -6.874 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.430 45.019 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.842 43.158 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.003 43.027 -6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.047 43.847 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.978 41.445 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.098 42.693 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.579 42.706 -6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.704 41.431 -5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.027 41.711 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.944 40.878 -5.331 1.00 0.00 H new ATOM 54 N PHE A 4 -1.333 45.594 -2.926 1.00 0.00 N ATOM 55 CA PHE A 4 -0.376 46.380 -2.178 1.00 0.00 C ATOM 56 C PHE A 4 0.361 45.451 -1.218 1.00 0.00 C ATOM 57 O PHE A 4 -0.277 44.599 -0.668 1.00 0.00 O ATOM 58 CB PHE A 4 -1.242 47.393 -1.342 1.00 0.00 C ATOM 59 CG PHE A 4 -2.033 48.417 -2.185 1.00 0.00 C ATOM 60 CD1 PHE A 4 -3.355 48.676 -1.846 1.00 0.00 C ATOM 61 CD2 PHE A 4 -1.446 49.169 -3.182 1.00 0.00 C ATOM 62 CE1 PHE A 4 -4.058 49.725 -2.445 1.00 0.00 C ATOM 63 CE2 PHE A 4 -2.164 50.209 -3.825 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.491 50.467 -3.436 1.00 0.00 C ATOM 0 H PHE A 4 -1.989 45.062 -2.354 1.00 0.00 H new ATOM 0 HA PHE A 4 0.348 46.885 -2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.944 46.829 -0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.586 47.934 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.847 48.058 -1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.427 48.963 -3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.063 49.950 -2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.698 50.795 -4.603 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.057 51.249 -3.921 1.00 0.00 H new ATOM 74 N VAL A 5 1.652 45.572 -1.105 1.00 0.00 N ATOM 75 CA VAL A 5 2.459 44.717 -0.204 1.00 0.00 C ATOM 76 C VAL A 5 3.263 45.665 0.712 1.00 0.00 C ATOM 77 O VAL A 5 3.970 46.580 0.249 1.00 0.00 O ATOM 78 CB VAL A 5 3.459 43.868 -1.047 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.207 42.846 -0.094 1.00 0.00 C ATOM 80 CG2 VAL A 5 2.773 43.134 -2.265 1.00 0.00 C ATOM 0 H VAL A 5 2.199 46.259 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 5 1.820 44.047 0.371 1.00 0.00 H new ATOM 0 HB VAL A 5 4.185 44.548 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.908 42.250 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.751 43.396 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.477 42.189 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.521 42.560 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.999 42.462 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.325 43.873 -2.930 1.00 0.00 H new ATOM 90 N LYS A 6 3.249 45.359 2.011 1.00 0.00 N ATOM 91 CA LYS A 6 4.186 46.036 2.945 1.00 0.00 C ATOM 92 C LYS A 6 5.499 45.270 3.098 1.00 0.00 C ATOM 93 O LYS A 6 5.552 44.138 3.536 1.00 0.00 O ATOM 94 CB LYS A 6 3.569 46.137 4.376 1.00 0.00 C ATOM 95 CG LYS A 6 2.447 47.168 4.649 1.00 0.00 C ATOM 96 CD LYS A 6 2.988 48.678 4.627 1.00 0.00 C ATOM 97 CE LYS A 6 2.050 49.736 5.210 1.00 0.00 C ATOM 98 NZ LYS A 6 2.579 51.047 4.724 1.00 0.00 N ATOM 0 H LYS A 6 2.628 44.674 2.441 1.00 0.00 H new ATOM 0 HA LYS A 6 4.370 47.021 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.178 45.153 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.383 46.349 5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.663 47.055 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.995 46.961 5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.929 48.714 5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.211 48.948 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.024 49.578 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.041 49.696 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.024 51.821 5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.576 51.145 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.506 51.088 3.687 1.00 0.00 H new ATOM 112 N THR A 7 6.608 45.985 2.719 1.00 0.00 N ATOM 113 CA THR A 7 7.968 45.410 2.740 1.00 0.00 C ATOM 114 C THR A 7 8.756 45.860 3.964 1.00 0.00 C ATOM 115 O THR A 7 8.206 46.554 4.817 1.00 0.00 O ATOM 116 CB THR A 7 8.741 45.631 1.386 1.00 0.00 C ATOM 117 OG1 THR A 7 8.891 46.995 1.081 1.00 0.00 O ATOM 118 CG2 THR A 7 7.872 45.074 0.271 1.00 0.00 C ATOM 0 H THR A 7 6.572 46.953 2.400 1.00 0.00 H new ATOM 0 HA THR A 7 7.854 44.330 2.833 1.00 0.00 H new ATOM 0 HB THR A 7 9.718 45.157 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.623 47.108 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.376 45.210 -0.686 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.698 44.012 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.918 45.601 0.256 1.00 0.00 H new ATOM 126 N LEU A 8 10.009 45.365 4.189 1.00 0.00 N ATOM 127 CA LEU A 8 10.677 45.385 5.503 1.00 0.00 C ATOM 128 C LEU A 8 10.742 46.712 6.294 1.00 0.00 C ATOM 129 O LEU A 8 10.672 46.691 7.531 1.00 0.00 O ATOM 130 CB LEU A 8 12.194 44.988 5.347 1.00 0.00 C ATOM 131 CG LEU A 8 12.520 43.849 4.359 1.00 0.00 C ATOM 132 CD1 LEU A 8 14.070 43.569 4.327 1.00 0.00 C ATOM 133 CD2 LEU A 8 11.711 42.570 4.748 1.00 0.00 C ATOM 0 H LEU A 8 10.576 44.942 3.454 1.00 0.00 H new ATOM 0 HA LEU A 8 10.038 44.698 6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.746 45.875 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.573 44.704 6.329 1.00 0.00 H new ATOM 0 HG LEU A 8 12.225 44.148 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.280 42.762 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.596 44.470 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.408 43.280 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.943 41.766 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.981 42.262 5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.644 42.789 4.709 1.00 0.00 H new ATOM 145 N THR A 9 10.900 47.860 5.647 1.00 0.00 N ATOM 146 CA THR A 9 10.850 49.114 6.379 1.00 0.00 C ATOM 147 C THR A 9 9.445 49.645 6.675 1.00 0.00 C ATOM 148 O THR A 9 9.384 50.682 7.332 1.00 0.00 O ATOM 149 CB THR A 9 11.544 50.205 5.573 1.00 0.00 C ATOM 150 OG1 THR A 9 11.114 50.449 4.223 1.00 0.00 O ATOM 151 CG2 THR A 9 13.036 49.935 5.467 1.00 0.00 C ATOM 0 H THR A 9 11.060 47.947 4.643 1.00 0.00 H new ATOM 0 HA THR A 9 11.334 48.888 7.329 1.00 0.00 H new ATOM 0 HB THR A 9 11.268 51.084 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.647 51.174 3.836 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.509 50.728 4.887 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.472 49.906 6.465 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.198 48.977 4.972 1.00 0.00 H new ATOM 159 N GLY A 10 8.364 49.082 6.145 1.00 0.00 N ATOM 160 CA GLY A 10 7.013 49.612 6.501 1.00 0.00 C ATOM 161 C GLY A 10 6.368 50.406 5.381 1.00 0.00 C ATOM 162 O GLY A 10 5.199 50.759 5.449 1.00 0.00 O ATOM 0 H GLY A 10 8.370 48.295 5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.362 48.780 6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.100 50.246 7.384 1.00 0.00 H new ATOM 166 N LYS A 11 7.131 50.686 4.342 1.00 0.00 N ATOM 167 CA LYS A 11 6.567 51.237 3.082 1.00 0.00 C ATOM 168 C LYS A 11 5.481 50.329 2.422 1.00 0.00 C ATOM 169 O LYS A 11 5.415 49.116 2.621 1.00 0.00 O ATOM 170 CB LYS A 11 7.691 51.478 1.975 1.00 0.00 C ATOM 171 CG LYS A 11 8.294 50.139 1.406 1.00 0.00 C ATOM 172 CD LYS A 11 9.628 50.337 0.539 1.00 0.00 C ATOM 173 CE LYS A 11 9.512 51.387 -0.553 1.00 0.00 C ATOM 174 NZ LYS A 11 10.867 51.444 -1.144 1.00 0.00 N ATOM 0 H LYS A 11 8.142 50.549 4.325 1.00 0.00 H new ATOM 0 HA LYS A 11 6.112 52.176 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.266 52.056 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.494 52.077 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.510 49.469 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.542 49.648 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.444 50.612 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.897 49.384 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.764 51.109 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.213 52.353 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.980 52.336 -1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.578 51.394 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.996 50.642 -1.794 1.00 0.00 H new ATOM 188 N THR A 12 4.674 50.889 1.477 1.00 0.00 N ATOM 189 CA THR A 12 3.744 50.036 0.682 1.00 0.00 C ATOM 190 C THR A 12 4.219 49.936 -0.733 1.00 0.00 C ATOM 191 O THR A 12 4.447 50.947 -1.359 1.00 0.00 O ATOM 192 CB THR A 12 2.329 50.630 0.575 1.00 0.00 C ATOM 193 OG1 THR A 12 1.929 50.842 1.888 1.00 0.00 O ATOM 194 CG2 THR A 12 1.279 49.624 -0.135 1.00 0.00 C ATOM 0 H THR A 12 4.646 51.884 1.253 1.00 0.00 H new ATOM 0 HA THR A 12 3.721 49.078 1.201 1.00 0.00 H new ATOM 0 HB THR A 12 2.347 51.534 -0.034 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.027 51.225 1.897 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.298 50.096 -0.183 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.621 49.394 -1.144 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.210 48.703 0.443 1.00 0.00 H new ATOM 202 N ILE A 13 4.319 48.709 -1.238 1.00 0.00 N ATOM 203 CA ILE A 13 4.571 48.508 -2.674 1.00 0.00 C ATOM 204 C ILE A 13 3.289 48.140 -3.441 1.00 0.00 C ATOM 205 O ILE A 13 2.579 47.168 -3.131 1.00 0.00 O ATOM 206 CB ILE A 13 5.642 47.388 -2.773 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.075 47.745 -2.269 1.00 0.00 C ATOM 208 CG2 ILE A 13 5.744 46.774 -4.216 1.00 0.00 C ATOM 209 CD1 ILE A 13 7.683 48.950 -3.102 1.00 0.00 C ATOM 0 H ILE A 13 4.233 47.851 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 13 4.923 49.430 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 13 5.254 46.649 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.038 48.010 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.723 46.873 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.508 45.996 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.783 46.343 -4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.012 47.556 -4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.682 49.180 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.741 48.672 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.045 49.827 -2.993 1.00 0.00 H new ATOM 221 N THR A 14 2.985 48.887 -4.531 1.00 0.00 N ATOM 222 CA THR A 14 1.859 48.481 -5.409 1.00 0.00 C ATOM 223 C THR A 14 2.357 47.657 -6.605 1.00 0.00 C ATOM 224 O THR A 14 3.303 48.022 -7.321 1.00 0.00 O ATOM 225 CB THR A 14 1.084 49.724 -5.964 1.00 0.00 C ATOM 226 OG1 THR A 14 0.885 50.644 -4.891 1.00 0.00 O ATOM 227 CG2 THR A 14 -0.286 49.404 -6.695 1.00 0.00 C ATOM 0 H THR A 14 3.477 49.734 -4.815 1.00 0.00 H new ATOM 0 HA THR A 14 1.191 47.879 -4.794 1.00 0.00 H new ATOM 0 HB THR A 14 1.705 50.152 -6.751 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.095 50.379 -4.375 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.740 50.333 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.099 48.752 -7.549 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.962 48.906 -6.000 1.00 0.00 H new ATOM 235 N LEU A 15 1.624 46.569 -6.864 1.00 0.00 N ATOM 236 CA LEU A 15 1.899 45.666 -8.007 1.00 0.00 C ATOM 237 C LEU A 15 0.535 45.391 -8.797 1.00 0.00 C ATOM 238 O LEU A 15 -0.451 44.881 -8.262 1.00 0.00 O ATOM 239 CB LEU A 15 2.459 44.299 -7.496 1.00 0.00 C ATOM 240 CG LEU A 15 3.739 44.361 -6.577 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.979 42.997 -5.812 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.047 44.839 -7.383 1.00 0.00 C ATOM 0 H LEU A 15 0.826 46.283 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 15 2.633 46.138 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.668 43.791 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.691 43.680 -8.363 1.00 0.00 H new ATOM 0 HG LEU A 15 3.546 45.122 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.870 43.081 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.117 42.776 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.116 42.193 -6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.902 44.866 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.249 44.141 -8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.878 45.835 -7.793 1.00 0.00 H new ATOM 254 N GLU A 16 0.513 45.635 -10.145 1.00 0.00 N ATOM 255 CA GLU A 16 -0.640 45.193 -10.994 1.00 0.00 C ATOM 256 C GLU A 16 -0.502 43.742 -11.480 1.00 0.00 C ATOM 257 O GLU A 16 0.364 43.385 -12.310 1.00 0.00 O ATOM 258 CB GLU A 16 -0.793 46.077 -12.291 1.00 0.00 C ATOM 259 CG GLU A 16 -1.072 47.587 -11.897 1.00 0.00 C ATOM 260 CD GLU A 16 -1.187 48.694 -13.021 1.00 0.00 C ATOM 261 OE1 GLU A 16 -2.111 49.526 -12.908 1.00 0.00 O ATOM 262 OE2 GLU A 16 -0.308 48.725 -13.878 1.00 0.00 O ATOM 0 H GLU A 16 1.254 46.119 -10.652 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.508 45.294 -10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.114 46.012 -12.893 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.610 45.697 -12.904 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.002 47.606 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.277 47.896 -11.219 1.00 0.00 H new ATOM 269 N VAL A 17 -1.504 42.977 -11.029 1.00 0.00 N ATOM 270 CA VAL A 17 -1.504 41.499 -11.119 1.00 0.00 C ATOM 271 C VAL A 17 -2.894 40.907 -11.550 1.00 0.00 C ATOM 272 O VAL A 17 -3.879 41.648 -11.651 1.00 0.00 O ATOM 273 CB VAL A 17 -1.116 40.952 -9.732 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.329 41.267 -9.286 1.00 0.00 C ATOM 275 CG2 VAL A 17 -2.149 41.514 -8.680 1.00 0.00 C ATOM 0 H VAL A 17 -2.342 43.359 -10.590 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.794 41.200 -11.890 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.150 39.865 -9.798 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.506 40.841 -8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.032 40.836 -9.999 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.470 42.347 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.897 41.141 -7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.111 42.603 -8.679 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.154 41.186 -8.946 1.00 0.00 H new ATOM 285 N GLU A 18 -2.955 39.625 -11.952 1.00 0.00 N ATOM 286 CA GLU A 18 -4.200 38.963 -12.446 1.00 0.00 C ATOM 287 C GLU A 18 -4.563 37.859 -11.448 1.00 0.00 C ATOM 288 O GLU A 18 -3.697 37.528 -10.646 1.00 0.00 O ATOM 289 CB GLU A 18 -3.925 38.305 -13.847 1.00 0.00 C ATOM 290 CG GLU A 18 -3.537 39.417 -14.869 1.00 0.00 C ATOM 291 CD GLU A 18 -3.469 38.829 -16.301 1.00 0.00 C ATOM 292 OE1 GLU A 18 -2.328 38.514 -16.661 1.00 0.00 O ATOM 293 OE2 GLU A 18 -4.481 38.690 -16.996 1.00 0.00 O ATOM 0 H GLU A 18 -2.144 39.006 -11.948 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.006 39.691 -12.541 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.122 37.572 -13.767 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.811 37.771 -14.191 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.269 40.224 -14.834 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.573 39.848 -14.599 1.00 0.00 H new ATOM 300 N PRO A 19 -5.811 37.403 -11.337 1.00 0.00 N ATOM 301 CA PRO A 19 -6.156 36.357 -10.309 1.00 0.00 C ATOM 302 C PRO A 19 -5.510 35.037 -10.571 1.00 0.00 C ATOM 303 O PRO A 19 -5.521 34.192 -9.679 1.00 0.00 O ATOM 304 CB PRO A 19 -7.730 36.260 -10.323 1.00 0.00 C ATOM 305 CG PRO A 19 -8.161 37.591 -10.937 1.00 0.00 C ATOM 306 CD PRO A 19 -7.042 37.922 -11.953 1.00 0.00 C ATOM 0 HA PRO A 19 -5.775 36.642 -9.328 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.075 35.413 -10.916 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.134 36.131 -9.319 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.131 37.508 -11.427 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.252 38.368 -10.178 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.231 37.451 -12.917 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.974 38.995 -12.131 1.00 0.00 H new ATOM 314 N SER A 20 -4.989 34.887 -11.839 1.00 0.00 N ATOM 315 CA SER A 20 -4.275 33.783 -12.347 1.00 0.00 C ATOM 316 C SER A 20 -2.722 33.993 -12.340 1.00 0.00 C ATOM 317 O SER A 20 -1.963 33.221 -12.951 1.00 0.00 O ATOM 318 CB SER A 20 -4.859 33.534 -13.807 1.00 0.00 C ATOM 319 OG SER A 20 -4.849 34.713 -14.629 1.00 0.00 O ATOM 0 H SER A 20 -5.096 35.620 -12.540 1.00 0.00 H new ATOM 0 HA SER A 20 -4.410 32.908 -11.712 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.277 32.753 -14.296 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.881 33.165 -13.724 1.00 0.00 H new ATOM 0 HG SER A 20 -5.216 34.499 -15.512 1.00 0.00 H new ATOM 325 N ASP A 21 -2.245 35.084 -11.651 1.00 0.00 N ATOM 326 CA ASP A 21 -0.811 35.364 -11.567 1.00 0.00 C ATOM 327 C ASP A 21 -0.309 34.635 -10.315 1.00 0.00 C ATOM 328 O ASP A 21 -0.791 34.888 -9.203 1.00 0.00 O ATOM 329 CB ASP A 21 -0.405 36.904 -11.488 1.00 0.00 C ATOM 330 CG ASP A 21 -0.510 37.588 -12.845 1.00 0.00 C ATOM 331 OD1 ASP A 21 -0.739 36.923 -13.855 1.00 0.00 O ATOM 332 OD2 ASP A 21 -0.187 38.777 -12.839 1.00 0.00 O ATOM 0 H ASP A 21 -2.837 35.756 -11.164 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.354 35.021 -12.495 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.051 37.414 -10.773 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.615 36.992 -11.115 1.00 0.00 H new ATOM 337 N THR A 22 0.617 33.668 -10.489 1.00 0.00 N ATOM 338 CA THR A 22 1.163 32.950 -9.303 1.00 0.00 C ATOM 339 C THR A 22 1.949 33.848 -8.330 1.00 0.00 C ATOM 340 O THR A 22 2.526 34.814 -8.721 1.00 0.00 O ATOM 341 CB THR A 22 2.014 31.671 -9.571 1.00 0.00 C ATOM 342 OG1 THR A 22 3.064 31.883 -10.515 1.00 0.00 O ATOM 343 CG2 THR A 22 1.120 30.524 -10.056 1.00 0.00 C ATOM 0 H THR A 22 0.992 33.372 -11.390 1.00 0.00 H new ATOM 0 HA THR A 22 0.229 32.619 -8.848 1.00 0.00 H new ATOM 0 HB THR A 22 2.479 31.411 -8.620 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.563 31.049 -10.641 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.730 29.639 -10.238 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.372 30.299 -9.295 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.621 30.817 -10.980 1.00 0.00 H new ATOM 351 N ILE A 23 1.944 33.464 -7.026 1.00 0.00 N ATOM 352 CA ILE A 23 2.780 34.163 -5.991 1.00 0.00 C ATOM 353 C ILE A 23 4.278 34.082 -6.259 1.00 0.00 C ATOM 354 O ILE A 23 5.089 34.979 -5.911 1.00 0.00 O ATOM 355 CB ILE A 23 2.358 33.615 -4.588 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.856 33.947 -4.255 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.318 34.251 -3.452 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.569 35.394 -3.835 1.00 0.00 C ATOM 0 H ILE A 23 1.386 32.691 -6.663 1.00 0.00 H new ATOM 0 HA ILE A 23 2.586 35.235 -6.031 1.00 0.00 H new ATOM 0 HB ILE A 23 2.462 32.530 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.250 33.716 -5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.526 33.284 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.025 33.870 -2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.353 33.975 -3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.223 35.337 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.495 35.509 -3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.139 35.632 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.859 36.071 -4.639 1.00 0.00 H new ATOM 370 N GLU A 24 4.707 33.080 -7.018 1.00 0.00 N ATOM 371 CA GLU A 24 6.054 33.069 -7.585 1.00 0.00 C ATOM 372 C GLU A 24 6.458 34.290 -8.424 1.00 0.00 C ATOM 373 O GLU A 24 7.600 34.755 -8.298 1.00 0.00 O ATOM 374 CB GLU A 24 6.156 31.784 -8.448 1.00 0.00 C ATOM 375 CG GLU A 24 7.499 31.650 -9.287 1.00 0.00 C ATOM 376 CD GLU A 24 7.640 30.197 -9.868 1.00 0.00 C ATOM 377 OE1 GLU A 24 8.266 29.317 -9.205 1.00 0.00 O ATOM 378 OE2 GLU A 24 7.154 30.045 -10.962 1.00 0.00 O ATOM 0 H GLU A 24 4.143 32.264 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 24 6.750 33.099 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.064 30.916 -7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.310 31.757 -9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.501 32.375 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.356 31.880 -8.653 1.00 0.00 H new ATOM 385 N ASN A 25 5.563 34.767 -9.303 1.00 0.00 N ATOM 386 CA ASN A 25 5.775 35.999 -10.088 1.00 0.00 C ATOM 387 C ASN A 25 5.690 37.224 -9.201 1.00 0.00 C ATOM 388 O ASN A 25 6.511 38.084 -9.402 1.00 0.00 O ATOM 389 CB ASN A 25 4.780 36.189 -11.271 1.00 0.00 C ATOM 390 CG ASN A 25 4.996 35.123 -12.336 1.00 0.00 C ATOM 391 OD1 ASN A 25 5.386 33.961 -12.083 1.00 0.00 O ATOM 392 ND2 ASN A 25 4.679 35.431 -13.530 1.00 0.00 N ATOM 0 H ASN A 25 4.670 34.311 -9.492 1.00 0.00 H new ATOM 0 HA ASN A 25 6.772 35.885 -10.513 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.756 36.138 -10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.913 37.179 -11.708 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.744 34.733 -14.271 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.360 36.376 -13.745 1.00 0.00 H new ATOM 399 N VAL A 26 4.802 37.219 -8.179 1.00 0.00 N ATOM 400 CA VAL A 26 4.719 38.258 -7.166 1.00 0.00 C ATOM 401 C VAL A 26 6.084 38.390 -6.437 1.00 0.00 C ATOM 402 O VAL A 26 6.580 39.494 -6.364 1.00 0.00 O ATOM 403 CB VAL A 26 3.548 37.947 -6.099 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.583 39.054 -5.004 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.069 37.993 -6.680 1.00 0.00 C ATOM 0 H VAL A 26 4.119 36.473 -8.047 1.00 0.00 H new ATOM 0 HA VAL A 26 4.478 39.198 -7.662 1.00 0.00 H new ATOM 0 HB VAL A 26 3.746 36.934 -5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.799 38.865 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.554 39.045 -4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.420 40.028 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.358 37.770 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.866 38.986 -7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.967 37.254 -7.475 1.00 0.00 H new ATOM 415 N LYS A 27 6.697 37.279 -6.029 1.00 0.00 N ATOM 416 CA LYS A 27 8.152 37.208 -5.496 1.00 0.00 C ATOM 417 C LYS A 27 9.285 37.537 -6.534 1.00 0.00 C ATOM 418 O LYS A 27 10.277 38.214 -6.200 1.00 0.00 O ATOM 419 CB LYS A 27 8.393 35.822 -4.894 1.00 0.00 C ATOM 420 CG LYS A 27 7.514 35.613 -3.572 1.00 0.00 C ATOM 421 CD LYS A 27 7.570 34.141 -3.101 1.00 0.00 C ATOM 422 CE LYS A 27 7.259 34.116 -1.534 1.00 0.00 C ATOM 423 NZ LYS A 27 7.533 32.750 -1.004 1.00 0.00 N ATOM 0 H LYS A 27 6.236 36.369 -6.040 1.00 0.00 H new ATOM 0 HA LYS A 27 8.225 38.001 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.144 35.054 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.450 35.703 -4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.879 36.267 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.480 35.897 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.842 33.538 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.552 33.713 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.876 34.851 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.219 34.388 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.316 32.722 0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.939 32.058 -1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.535 32.515 -1.151 1.00 0.00 H new ATOM 437 N ALA A 28 9.175 37.026 -7.767 1.00 0.00 N ATOM 438 CA ALA A 28 9.993 37.479 -8.900 1.00 0.00 C ATOM 439 C ALA A 28 9.980 39.017 -9.019 1.00 0.00 C ATOM 440 O ALA A 28 11.022 39.646 -9.171 1.00 0.00 O ATOM 441 CB ALA A 28 9.497 36.731 -10.196 1.00 0.00 C ATOM 0 H ALA A 28 8.516 36.286 -8.008 1.00 0.00 H new ATOM 0 HA ALA A 28 11.042 37.224 -8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.091 37.052 -11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.608 35.655 -10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.448 36.968 -10.374 1.00 0.00 H new ATOM 447 N LYS A 29 8.795 39.622 -8.905 1.00 0.00 N ATOM 448 CA LYS A 29 8.640 41.089 -8.887 1.00 0.00 C ATOM 449 C LYS A 29 9.272 41.764 -7.682 1.00 0.00 C ATOM 450 O LYS A 29 9.940 42.770 -7.853 1.00 0.00 O ATOM 451 CB LYS A 29 7.140 41.479 -8.936 1.00 0.00 C ATOM 452 CG LYS A 29 6.486 41.489 -10.423 1.00 0.00 C ATOM 453 CD LYS A 29 4.998 41.848 -10.252 1.00 0.00 C ATOM 454 CE LYS A 29 4.194 41.355 -11.487 1.00 0.00 C ATOM 455 NZ LYS A 29 4.759 41.840 -12.771 1.00 0.00 N ATOM 0 H LYS A 29 7.914 39.115 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 29 9.168 41.442 -9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.578 40.784 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.022 42.469 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.988 42.216 -11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.596 40.515 -10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.606 41.390 -9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.885 42.926 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.176 40.265 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.161 41.691 -11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.097 41.627 -13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.911 42.868 -12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.666 41.365 -12.952 1.00 0.00 H new ATOM 469 N ILE A 30 9.133 41.218 -6.465 1.00 0.00 N ATOM 470 CA ILE A 30 9.691 41.863 -5.262 1.00 0.00 C ATOM 471 C ILE A 30 11.242 41.740 -5.211 1.00 0.00 C ATOM 472 O ILE A 30 11.962 42.624 -4.726 1.00 0.00 O ATOM 473 CB ILE A 30 8.978 41.228 -4.043 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.499 41.717 -3.950 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.725 41.496 -2.702 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.654 40.712 -3.165 1.00 0.00 C ATOM 0 H ILE A 30 8.645 40.341 -6.286 1.00 0.00 H new ATOM 0 HA ILE A 30 9.508 42.938 -5.267 1.00 0.00 H new ATOM 0 HB ILE A 30 8.988 40.150 -4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.461 42.692 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.088 41.844 -4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.180 41.028 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.730 41.078 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.788 42.570 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.625 41.067 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.677 39.745 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.057 40.606 -2.158 1.00 0.00 H new ATOM 488 N GLN A 31 11.787 40.674 -5.864 1.00 0.00 N ATOM 489 CA GLN A 31 13.250 40.534 -6.094 1.00 0.00 C ATOM 490 C GLN A 31 13.794 41.605 -7.024 1.00 0.00 C ATOM 491 O GLN A 31 14.787 42.264 -6.681 1.00 0.00 O ATOM 492 CB GLN A 31 13.547 39.081 -6.589 1.00 0.00 C ATOM 493 CG GLN A 31 14.728 38.909 -7.653 1.00 0.00 C ATOM 494 CD GLN A 31 16.064 38.892 -6.941 1.00 0.00 C ATOM 495 OE1 GLN A 31 16.817 37.940 -7.156 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.440 39.929 -6.242 1.00 0.00 N ATOM 0 H GLN A 31 11.234 39.903 -6.238 1.00 0.00 H new ATOM 0 HA GLN A 31 13.779 40.692 -5.154 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.781 38.467 -5.719 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.634 38.678 -7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.593 37.984 -8.213 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.701 39.725 -8.375 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.791 40.700 -6.083 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.383 39.968 -5.855 1.00 0.00 H new ATOM 505 N ASP A 32 13.122 41.881 -8.137 1.00 0.00 N ATOM 506 CA ASP A 32 13.538 43.032 -8.940 1.00 0.00 C ATOM 507 C ASP A 32 13.382 44.372 -8.228 1.00 0.00 C ATOM 508 O ASP A 32 14.329 45.171 -8.261 1.00 0.00 O ATOM 509 CB ASP A 32 12.598 43.068 -10.209 1.00 0.00 C ATOM 510 CG ASP A 32 13.026 41.974 -11.210 1.00 0.00 C ATOM 511 OD1 ASP A 32 14.129 41.463 -11.083 1.00 0.00 O ATOM 512 OD2 ASP A 32 12.290 41.732 -12.158 1.00 0.00 O ATOM 0 H ASP A 32 12.325 41.354 -8.494 1.00 0.00 H new ATOM 0 HA ASP A 32 14.597 42.908 -9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.561 42.914 -9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.650 44.048 -10.683 1.00 0.00 H new ATOM 517 N LYS A 33 12.171 44.647 -7.700 1.00 0.00 N ATOM 518 CA LYS A 33 11.807 45.957 -7.126 1.00 0.00 C ATOM 519 C LYS A 33 12.556 46.363 -5.822 1.00 0.00 C ATOM 520 O LYS A 33 12.985 47.514 -5.771 1.00 0.00 O ATOM 521 CB LYS A 33 10.298 46.185 -6.835 1.00 0.00 C ATOM 522 CG LYS A 33 9.336 46.229 -8.068 1.00 0.00 C ATOM 523 CD LYS A 33 9.560 47.434 -9.017 1.00 0.00 C ATOM 524 CE LYS A 33 9.309 48.849 -8.363 1.00 0.00 C ATOM 525 NZ LYS A 33 9.450 49.912 -9.402 1.00 0.00 N ATOM 0 H LYS A 33 11.416 43.963 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 33 12.126 46.585 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.958 45.393 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.196 47.124 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.454 45.307 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.307 46.252 -7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.583 47.399 -9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.902 47.326 -9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.312 48.886 -7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.021 49.019 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.285 50.844 -8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.409 49.881 -9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.754 49.753 -10.158 1.00 0.00 H new ATOM 539 N GLU A 34 12.646 45.526 -4.804 1.00 0.00 N ATOM 540 CA GLU A 34 13.099 45.916 -3.432 1.00 0.00 C ATOM 541 C GLU A 34 14.378 45.146 -3.116 1.00 0.00 C ATOM 542 O GLU A 34 15.236 45.664 -2.396 1.00 0.00 O ATOM 543 CB GLU A 34 11.948 45.613 -2.429 1.00 0.00 C ATOM 544 CG GLU A 34 10.860 46.728 -2.296 1.00 0.00 C ATOM 545 CD GLU A 34 11.471 48.056 -1.737 1.00 0.00 C ATOM 546 OE1 GLU A 34 11.985 48.003 -0.652 1.00 0.00 O ATOM 547 OE2 GLU A 34 11.469 49.084 -2.444 1.00 0.00 O ATOM 0 H GLU A 34 12.409 44.537 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 34 13.325 46.980 -3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.459 44.687 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.384 45.436 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.407 46.915 -3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.064 46.385 -1.635 1.00 0.00 H new ATOM 554 N GLY A 35 14.670 43.985 -3.797 1.00 0.00 N ATOM 555 CA GLY A 35 16.001 43.397 -3.802 1.00 0.00 C ATOM 556 C GLY A 35 16.116 42.132 -3.026 1.00 0.00 C ATOM 557 O GLY A 35 17.234 41.606 -2.849 1.00 0.00 O ATOM 0 H GLY A 35 13.983 43.462 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.296 43.205 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.707 44.122 -3.398 1.00 0.00 H new ATOM 561 N ILE A 36 14.983 41.684 -2.493 1.00 0.00 N ATOM 562 CA ILE A 36 14.996 40.506 -1.657 1.00 0.00 C ATOM 563 C ILE A 36 15.306 39.213 -2.457 1.00 0.00 C ATOM 564 O ILE A 36 14.513 38.908 -3.340 1.00 0.00 O ATOM 565 CB ILE A 36 13.624 40.333 -0.994 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.176 41.610 -0.264 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.731 39.114 -0.004 1.00 0.00 C ATOM 568 CD1 ILE A 36 14.208 42.313 0.738 1.00 0.00 C ATOM 0 H ILE A 36 14.067 42.113 -2.625 1.00 0.00 H new ATOM 0 HA ILE A 36 15.783 40.652 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 36 12.865 40.142 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.894 42.343 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.275 41.371 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.771 38.960 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.002 38.217 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.494 39.321 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.746 43.199 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.476 41.616 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.105 42.603 0.192 1.00 0.00 H new ATOM 580 N PRO A 37 16.267 38.404 -2.072 1.00 0.00 N ATOM 581 CA PRO A 37 16.410 37.058 -2.690 1.00 0.00 C ATOM 582 C PRO A 37 15.096 36.197 -2.676 1.00 0.00 C ATOM 583 O PRO A 37 14.398 36.184 -1.662 1.00 0.00 O ATOM 584 CB PRO A 37 17.435 36.354 -1.761 1.00 0.00 C ATOM 585 CG PRO A 37 18.379 37.498 -1.441 1.00 0.00 C ATOM 586 CD PRO A 37 17.341 38.586 -1.039 1.00 0.00 C ATOM 0 HA PRO A 37 16.689 37.158 -3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.966 35.945 -0.866 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.943 35.529 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.068 37.258 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.984 37.793 -2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.963 38.433 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.770 39.588 -1.071 1.00 0.00 H new ATOM 594 N PRO A 38 14.793 35.493 -3.758 1.00 0.00 N ATOM 595 CA PRO A 38 13.580 34.612 -3.839 1.00 0.00 C ATOM 596 C PRO A 38 13.328 33.613 -2.667 1.00 0.00 C ATOM 597 O PRO A 38 12.138 33.497 -2.380 1.00 0.00 O ATOM 598 CB PRO A 38 13.499 34.063 -5.321 1.00 0.00 C ATOM 599 CG PRO A 38 14.392 35.102 -6.100 1.00 0.00 C ATOM 600 CD PRO A 38 15.417 35.579 -5.071 1.00 0.00 C ATOM 0 HA PRO A 38 12.690 35.210 -3.642 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.888 33.048 -5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.475 34.043 -5.694 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.878 34.641 -6.959 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.795 35.932 -6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.315 34.962 -5.110 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.725 36.603 -5.283 1.00 0.00 H new ATOM 608 N ASP A 39 14.334 32.898 -2.126 1.00 0.00 N ATOM 609 CA ASP A 39 14.163 31.975 -0.949 1.00 0.00 C ATOM 610 C ASP A 39 14.125 32.718 0.382 1.00 0.00 C ATOM 611 O ASP A 39 13.668 32.137 1.377 1.00 0.00 O ATOM 612 CB ASP A 39 15.159 30.804 -0.967 1.00 0.00 C ATOM 613 CG ASP A 39 16.611 31.178 -0.706 1.00 0.00 C ATOM 614 OD1 ASP A 39 17.028 32.296 -1.011 1.00 0.00 O ATOM 615 OD2 ASP A 39 17.308 30.283 -0.255 1.00 0.00 O ATOM 0 H ASP A 39 15.290 32.932 -2.479 1.00 0.00 H new ATOM 0 HA ASP A 39 13.177 31.522 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.849 30.074 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.097 30.311 -1.937 1.00 0.00 H new ATOM 620 N GLN A 40 14.543 33.970 0.435 1.00 0.00 N ATOM 621 CA GLN A 40 14.332 34.791 1.659 1.00 0.00 C ATOM 622 C GLN A 40 13.010 35.590 1.635 1.00 0.00 C ATOM 623 O GLN A 40 12.797 36.464 2.498 1.00 0.00 O ATOM 624 CB GLN A 40 15.443 35.784 1.879 1.00 0.00 C ATOM 625 CG GLN A 40 16.798 35.017 2.112 1.00 0.00 C ATOM 626 CD GLN A 40 17.953 35.961 2.465 1.00 0.00 C ATOM 627 OE1 GLN A 40 18.893 36.215 1.674 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.976 36.473 3.646 1.00 0.00 N ATOM 0 H GLN A 40 15.022 34.451 -0.326 1.00 0.00 H new ATOM 0 HA GLN A 40 14.304 34.060 2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.531 36.444 1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.217 36.413 2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.668 34.291 2.915 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.053 34.456 1.213 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.220 36.277 4.302 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.750 37.075 3.926 1.00 0.00 H new ATOM 637 N GLN A 41 12.042 35.227 0.782 1.00 0.00 N ATOM 638 CA GLN A 41 10.743 35.915 0.744 1.00 0.00 C ATOM 639 C GLN A 41 9.710 35.130 1.505 1.00 0.00 C ATOM 640 O GLN A 41 9.501 33.944 1.160 1.00 0.00 O ATOM 641 CB GLN A 41 10.183 36.069 -0.721 1.00 0.00 C ATOM 642 CG GLN A 41 11.152 37.030 -1.492 1.00 0.00 C ATOM 643 CD GLN A 41 10.494 37.890 -2.603 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.306 38.283 -2.523 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.237 38.242 -3.623 1.00 0.00 N ATOM 0 H GLN A 41 12.133 34.464 0.111 1.00 0.00 H new ATOM 0 HA GLN A 41 10.918 36.898 1.182 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.130 35.099 -1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.172 36.475 -0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.623 37.698 -0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.946 36.434 -1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.203 37.921 -3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.849 38.837 -4.355 1.00 0.00 H new ATOM 654 N ARG A 42 9.047 35.701 2.578 1.00 0.00 N ATOM 655 CA ARG A 42 7.889 35.052 3.188 1.00 0.00 C ATOM 656 C ARG A 42 6.773 36.065 3.163 1.00 0.00 C ATOM 657 O ARG A 42 6.915 37.201 3.653 1.00 0.00 O ATOM 658 CB ARG A 42 8.240 34.632 4.679 1.00 0.00 C ATOM 659 CG ARG A 42 9.228 33.481 4.644 1.00 0.00 C ATOM 660 CD ARG A 42 8.484 32.111 4.409 1.00 0.00 C ATOM 661 NE ARG A 42 7.757 31.646 5.664 1.00 0.00 N ATOM 662 CZ ARG A 42 7.301 30.395 5.837 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.054 29.585 4.835 1.00 0.00 N ATOM 664 NH2 ARG A 42 6.983 30.051 7.074 1.00 0.00 N ATOM 0 H ARG A 42 9.311 36.588 3.007 1.00 0.00 H new ATOM 0 HA ARG A 42 7.599 34.148 2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.665 35.478 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.335 34.337 5.211 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.956 33.645 3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.782 33.443 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.770 32.219 3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.205 31.353 4.103 1.00 0.00 H new ATOM 0 HE ARG A 42 7.608 32.322 6.414 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.208 29.898 3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.708 28.642 5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.090 30.723 7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.631 29.114 7.268 1.00 0.00 H new ATOM 678 N LEU A 43 5.720 35.782 2.440 1.00 0.00 N ATOM 679 CA LEU A 43 4.709 36.792 2.087 1.00 0.00 C ATOM 680 C LEU A 43 3.377 36.342 2.755 1.00 0.00 C ATOM 681 O LEU A 43 2.922 35.194 2.597 1.00 0.00 O ATOM 682 CB LEU A 43 4.681 36.771 0.524 1.00 0.00 C ATOM 683 CG LEU A 43 3.619 37.669 -0.146 1.00 0.00 C ATOM 684 CD1 LEU A 43 3.716 39.175 0.268 1.00 0.00 C ATOM 685 CD2 LEU A 43 3.800 37.671 -1.672 1.00 0.00 C ATOM 0 H LEU A 43 5.523 34.851 2.071 1.00 0.00 H new ATOM 0 HA LEU A 43 4.901 37.809 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.664 37.070 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.518 35.744 0.197 1.00 0.00 H new ATOM 0 HG LEU A 43 2.666 37.250 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.938 39.743 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.583 39.265 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.694 39.567 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.043 38.309 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.791 38.050 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.695 36.655 -2.052 1.00 0.00 H new ATOM 697 N ILE A 44 2.769 37.225 3.555 1.00 0.00 N ATOM 698 CA ILE A 44 1.529 36.906 4.324 1.00 0.00 C ATOM 699 C ILE A 44 0.350 37.701 3.766 1.00 0.00 C ATOM 700 O ILE A 44 0.515 38.848 3.335 1.00 0.00 O ATOM 701 CB ILE A 44 1.656 37.288 5.827 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.006 36.715 6.395 1.00 0.00 C ATOM 703 CG2 ILE A 44 0.495 36.603 6.696 1.00 0.00 C ATOM 704 CD1 ILE A 44 4.312 37.630 6.340 1.00 0.00 C ATOM 0 H ILE A 44 3.107 38.177 3.697 1.00 0.00 H new ATOM 0 HA ILE A 44 1.375 35.831 4.230 1.00 0.00 H new ATOM 0 HB ILE A 44 1.601 38.375 5.893 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.837 36.443 7.437 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.226 35.793 5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.608 36.887 7.742 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.477 36.937 6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.564 35.519 6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.154 37.088 6.770 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.535 37.884 5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.140 38.544 6.908 1.00 0.00 H new ATOM 716 N PHE A 45 -0.866 37.073 3.786 1.00 0.00 N ATOM 717 CA PHE A 45 -2.072 37.810 3.654 1.00 0.00 C ATOM 718 C PHE A 45 -3.115 37.184 4.692 1.00 0.00 C ATOM 719 O PHE A 45 -3.534 36.029 4.522 1.00 0.00 O ATOM 720 CB PHE A 45 -2.673 37.799 2.204 1.00 0.00 C ATOM 721 CG PHE A 45 -4.046 38.382 2.236 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.221 39.796 2.205 1.00 0.00 C ATOM 723 CD2 PHE A 45 -5.199 37.588 2.287 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.469 40.381 2.383 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.456 38.168 2.383 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.631 39.548 2.448 1.00 0.00 C ATOM 0 H PHE A 45 -0.991 36.066 3.893 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.860 38.859 3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.037 38.373 1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.707 36.780 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.362 40.429 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.109 36.512 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.561 41.453 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.326 37.529 2.408 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.617 39.978 2.545 1.00 0.00 H new ATOM 736 N ALA A 46 -3.510 37.950 5.699 1.00 0.00 N ATOM 737 CA ALA A 46 -4.550 37.583 6.629 1.00 0.00 C ATOM 738 C ALA A 46 -4.501 36.128 7.172 1.00 0.00 C ATOM 739 O ALA A 46 -5.502 35.419 7.180 1.00 0.00 O ATOM 740 CB ALA A 46 -5.879 37.987 6.020 1.00 0.00 C ATOM 0 H ALA A 46 -3.101 38.865 5.890 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.386 38.135 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.687 37.722 6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.888 39.063 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.018 37.467 5.072 1.00 0.00 H new ATOM 746 N GLY A 47 -3.375 35.814 7.804 1.00 0.00 N ATOM 747 CA GLY A 47 -3.193 34.516 8.519 1.00 0.00 C ATOM 748 C GLY A 47 -2.919 33.357 7.612 1.00 0.00 C ATOM 749 O GLY A 47 -2.610 32.246 8.123 1.00 0.00 O ATOM 0 H GLY A 47 -2.562 36.429 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.369 34.614 9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.090 34.305 9.102 1.00 0.00 H new ATOM 753 N LYS A 48 -2.901 33.572 6.246 1.00 0.00 N ATOM 754 CA LYS A 48 -2.429 32.570 5.313 1.00 0.00 C ATOM 755 C LYS A 48 -1.044 33.003 4.762 1.00 0.00 C ATOM 756 O LYS A 48 -0.973 33.998 4.043 1.00 0.00 O ATOM 757 CB LYS A 48 -3.379 32.263 4.152 1.00 0.00 C ATOM 758 CG LYS A 48 -4.722 31.745 4.825 1.00 0.00 C ATOM 759 CD LYS A 48 -5.568 31.031 3.764 1.00 0.00 C ATOM 760 CE LYS A 48 -7.045 30.883 4.180 1.00 0.00 C ATOM 761 NZ LYS A 48 -7.160 30.044 5.382 1.00 0.00 N ATOM 0 H LYS A 48 -3.214 34.437 5.806 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.364 31.641 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.561 33.152 3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.956 31.508 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.494 31.065 5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.277 32.581 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.513 31.586 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.148 30.043 3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.475 31.866 4.373 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.616 30.440 3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.164 29.885 5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.693 29.130 5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.704 30.523 6.185 1.00 0.00 H new ATOM 775 N GLN A 49 -0.027 32.280 5.159 1.00 0.00 N ATOM 776 CA GLN A 49 1.288 32.394 4.471 1.00 0.00 C ATOM 777 C GLN A 49 1.064 31.927 3.025 1.00 0.00 C ATOM 778 O GLN A 49 0.490 30.858 2.876 1.00 0.00 O ATOM 779 CB GLN A 49 2.290 31.420 5.190 1.00 0.00 C ATOM 780 CG GLN A 49 3.711 31.441 4.586 1.00 0.00 C ATOM 781 CD GLN A 49 4.474 32.753 4.733 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.073 33.202 3.732 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.529 33.352 5.908 1.00 0.00 N ATOM 0 H GLN A 49 -0.054 31.615 5.932 1.00 0.00 H new ATOM 0 HA GLN A 49 1.685 33.409 4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.349 31.686 6.245 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.897 30.405 5.139 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.296 30.648 5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.638 31.201 3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.028 32.959 6.705 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.072 34.208 6.019 1.00 0.00 H new ATOM 792 N LEU A 50 1.361 32.781 2.019 1.00 0.00 N ATOM 793 CA LEU A 50 0.934 32.517 0.586 1.00 0.00 C ATOM 794 C LEU A 50 2.051 31.751 -0.158 1.00 0.00 C ATOM 795 O LEU A 50 3.126 32.280 -0.320 1.00 0.00 O ATOM 796 CB LEU A 50 0.577 33.837 -0.232 1.00 0.00 C ATOM 797 CG LEU A 50 -0.429 34.783 0.501 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.697 36.089 -0.334 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.775 34.071 0.820 1.00 0.00 C ATOM 0 H LEU A 50 1.883 33.648 2.147 1.00 0.00 H new ATOM 0 HA LEU A 50 0.021 31.924 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.496 34.387 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.156 33.553 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 50 0.038 35.060 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.400 36.726 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.240 36.626 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.117 35.821 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.443 34.766 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.239 33.736 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.588 33.211 1.463 1.00 0.00 H new ATOM 811 N GLU A 51 1.678 30.566 -0.705 1.00 0.00 N ATOM 812 CA GLU A 51 2.658 29.569 -1.217 1.00 0.00 C ATOM 813 C GLU A 51 2.997 29.703 -2.738 1.00 0.00 C ATOM 814 O GLU A 51 2.186 30.162 -3.541 1.00 0.00 O ATOM 815 CB GLU A 51 2.288 28.113 -0.738 1.00 0.00 C ATOM 816 CG GLU A 51 2.501 28.033 0.839 1.00 0.00 C ATOM 817 CD GLU A 51 2.832 26.601 1.378 1.00 0.00 C ATOM 818 OE1 GLU A 51 3.903 26.149 1.033 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.065 26.016 2.180 1.00 0.00 O ATOM 0 H GLU A 51 0.705 30.276 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 51 3.617 29.807 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.254 27.881 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.914 27.377 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.310 28.708 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.599 28.394 1.333 1.00 0.00 H new ATOM 826 N ASP A 52 4.285 29.466 -3.108 1.00 0.00 N ATOM 827 CA ASP A 52 4.807 29.955 -4.416 1.00 0.00 C ATOM 828 C ASP A 52 4.061 29.509 -5.689 1.00 0.00 C ATOM 829 O ASP A 52 3.890 30.292 -6.619 1.00 0.00 O ATOM 830 CB ASP A 52 6.366 29.621 -4.612 1.00 0.00 C ATOM 831 CG ASP A 52 7.211 30.213 -3.490 1.00 0.00 C ATOM 832 OD1 ASP A 52 6.673 30.809 -2.566 1.00 0.00 O ATOM 833 OD2 ASP A 52 8.415 29.951 -3.524 1.00 0.00 O ATOM 0 H ASP A 52 4.962 28.956 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 52 4.630 31.027 -4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.506 28.541 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.705 30.014 -5.570 1.00 0.00 H new ATOM 838 N GLY A 53 3.607 28.248 -5.790 1.00 0.00 N ATOM 839 CA GLY A 53 2.911 27.774 -7.010 1.00 0.00 C ATOM 840 C GLY A 53 1.468 28.138 -7.064 1.00 0.00 C ATOM 841 O GLY A 53 0.846 27.918 -8.113 1.00 0.00 O ATOM 0 H GLY A 53 3.704 27.545 -5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.412 28.187 -7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.004 26.690 -7.071 1.00 0.00 H new ATOM 845 N ARG A 54 0.954 28.703 -5.968 1.00 0.00 N ATOM 846 CA ARG A 54 -0.455 29.137 -5.912 1.00 0.00 C ATOM 847 C ARG A 54 -0.718 30.518 -6.594 1.00 0.00 C ATOM 848 O ARG A 54 0.150 31.370 -6.626 1.00 0.00 O ATOM 849 CB ARG A 54 -1.087 29.074 -4.497 1.00 0.00 C ATOM 850 CG ARG A 54 -1.015 27.660 -3.856 1.00 0.00 C ATOM 851 CD ARG A 54 -1.752 26.527 -4.659 1.00 0.00 C ATOM 852 NE ARG A 54 -1.884 25.390 -3.724 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.188 24.166 -4.190 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.736 23.962 -5.390 1.00 0.00 N ATOM 855 NH2 ARG A 54 -2.001 23.085 -3.447 1.00 0.00 N ATOM 0 H ARG A 54 1.482 28.872 -5.112 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.973 28.387 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.579 29.787 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.130 29.385 -4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.033 27.382 -3.743 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.441 27.710 -2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.729 26.865 -5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.183 26.241 -5.544 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.744 25.534 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.942 24.755 -5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.948 23.013 -5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.621 23.173 -2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.237 22.164 -3.817 1.00 0.00 H new ATOM 869 N THR A 55 -1.965 30.696 -7.078 1.00 0.00 N ATOM 870 CA THR A 55 -2.442 32.023 -7.558 1.00 0.00 C ATOM 871 C THR A 55 -3.176 32.861 -6.522 1.00 0.00 C ATOM 872 O THR A 55 -3.480 32.452 -5.408 1.00 0.00 O ATOM 873 CB THR A 55 -3.370 31.914 -8.800 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.588 31.274 -8.468 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.629 31.166 -9.915 1.00 0.00 C ATOM 0 H THR A 55 -2.658 29.951 -7.149 1.00 0.00 H new ATOM 0 HA THR A 55 -1.509 32.527 -7.809 1.00 0.00 H new ATOM 0 HB THR A 55 -3.623 32.914 -9.153 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.406 30.507 -7.886 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.274 31.086 -10.790 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.724 31.712 -10.180 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.362 30.168 -9.568 1.00 0.00 H new ATOM 883 N LEU A 56 -3.500 34.110 -6.889 1.00 0.00 N ATOM 884 CA LEU A 56 -4.198 35.085 -6.044 1.00 0.00 C ATOM 885 C LEU A 56 -5.682 34.740 -5.869 1.00 0.00 C ATOM 886 O LEU A 56 -6.275 35.134 -4.884 1.00 0.00 O ATOM 887 CB LEU A 56 -4.052 36.481 -6.766 1.00 0.00 C ATOM 888 CG LEU A 56 -2.647 37.158 -6.586 1.00 0.00 C ATOM 889 CD1 LEU A 56 -2.334 38.344 -7.522 1.00 0.00 C ATOM 890 CD2 LEU A 56 -2.732 37.735 -5.130 1.00 0.00 C ATOM 0 H LEU A 56 -3.275 34.479 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.764 35.091 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.244 36.348 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.819 37.156 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.870 36.424 -6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.337 38.727 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.374 38.010 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.069 39.134 -7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.797 38.239 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.555 38.447 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.902 36.921 -4.425 1.00 0.00 H new ATOM 902 N SER A 57 -6.270 34.005 -6.796 1.00 0.00 N ATOM 903 CA SER A 57 -7.648 33.501 -6.600 1.00 0.00 C ATOM 904 C SER A 57 -7.698 32.264 -5.715 1.00 0.00 C ATOM 905 O SER A 57 -8.750 31.994 -5.181 1.00 0.00 O ATOM 906 CB SER A 57 -8.294 33.266 -7.990 1.00 0.00 C ATOM 907 OG SER A 57 -7.758 32.089 -8.574 1.00 0.00 O ATOM 0 H SER A 57 -5.838 33.739 -7.681 1.00 0.00 H new ATOM 0 HA SER A 57 -8.227 34.252 -6.062 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.375 33.173 -7.888 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.107 34.122 -8.638 1.00 0.00 H new ATOM 0 HG SER A 57 -6.797 32.041 -8.390 1.00 0.00 H new ATOM 913 N ASP A 58 -6.598 31.565 -5.471 1.00 0.00 N ATOM 914 CA ASP A 58 -6.602 30.356 -4.620 1.00 0.00 C ATOM 915 C ASP A 58 -6.768 30.725 -3.120 1.00 0.00 C ATOM 916 O ASP A 58 -7.210 29.920 -2.268 1.00 0.00 O ATOM 917 CB ASP A 58 -5.255 29.622 -4.775 1.00 0.00 C ATOM 918 CG ASP A 58 -5.147 28.926 -6.158 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.957 28.054 -6.434 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.212 29.176 -6.885 1.00 0.00 O ATOM 0 H ASP A 58 -5.681 31.806 -5.847 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.436 29.728 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.436 30.332 -4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.149 28.880 -3.983 1.00 0.00 H new ATOM 925 N TYR A 59 -6.418 31.980 -2.814 1.00 0.00 N ATOM 926 CA TYR A 59 -6.617 32.571 -1.464 1.00 0.00 C ATOM 927 C TYR A 59 -7.693 33.659 -1.573 1.00 0.00 C ATOM 928 O TYR A 59 -7.799 34.443 -0.620 1.00 0.00 O ATOM 929 CB TYR A 59 -5.313 33.251 -0.912 1.00 0.00 C ATOM 930 CG TYR A 59 -4.196 32.258 -0.925 1.00 0.00 C ATOM 931 CD1 TYR A 59 -3.165 32.246 -1.838 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.232 31.294 0.086 1.00 0.00 C ATOM 933 CE1 TYR A 59 -2.183 31.202 -1.755 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.262 30.231 0.144 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.203 30.248 -0.723 1.00 0.00 C ATOM 936 OH TYR A 59 -1.191 29.266 -0.589 1.00 0.00 O ATOM 0 H TYR A 59 -5.990 32.620 -3.483 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.901 31.766 -0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.053 34.116 -1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.480 33.615 0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.097 33.007 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.004 31.347 0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.408 31.148 -2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.369 29.431 0.862 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.385 28.701 0.188 1.00 0.00 H new ATOM 946 N ASN A 60 -8.524 33.728 -2.669 1.00 0.00 N ATOM 947 CA ASN A 60 -9.565 34.784 -2.926 1.00 0.00 C ATOM 948 C ASN A 60 -9.108 36.191 -2.625 1.00 0.00 C ATOM 949 O ASN A 60 -9.787 36.927 -1.910 1.00 0.00 O ATOM 950 CB ASN A 60 -10.899 34.484 -2.190 1.00 0.00 C ATOM 951 CG ASN A 60 -11.369 33.089 -2.363 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.332 32.303 -1.381 1.00 0.00 O ATOM 953 ND2 ASN A 60 -11.567 32.589 -3.583 1.00 0.00 N ATOM 0 H ASN A 60 -8.486 33.033 -3.415 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.737 34.737 -4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.772 34.687 -1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.667 35.166 -2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.686 31.584 -3.709 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.600 33.212 -4.390 1.00 0.00 H new ATOM 960 N ILE A 61 -7.933 36.621 -3.093 1.00 0.00 N ATOM 961 CA ILE A 61 -7.481 37.980 -2.811 1.00 0.00 C ATOM 962 C ILE A 61 -8.201 38.996 -3.760 1.00 0.00 C ATOM 963 O ILE A 61 -8.144 38.946 -5.011 1.00 0.00 O ATOM 964 CB ILE A 61 -5.921 37.949 -2.784 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.425 37.437 -1.423 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.260 39.401 -2.951 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.947 36.958 -1.452 1.00 0.00 C ATOM 0 H ILE A 61 -7.293 36.061 -3.656 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.770 38.359 -1.830 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.633 37.305 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.529 38.231 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.061 36.614 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.174 39.312 -2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.565 39.832 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.591 40.047 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.658 36.609 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.843 36.143 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.302 37.786 -1.747 1.00 0.00 H new ATOM 979 N GLN A 62 -8.832 40.029 -3.170 1.00 0.00 N ATOM 980 CA GLN A 62 -9.596 41.049 -3.937 1.00 0.00 C ATOM 981 C GLN A 62 -8.673 42.233 -4.387 1.00 0.00 C ATOM 982 O GLN A 62 -7.518 42.382 -3.994 1.00 0.00 O ATOM 983 CB GLN A 62 -10.780 41.492 -3.015 1.00 0.00 C ATOM 984 CG GLN A 62 -11.753 40.282 -2.689 1.00 0.00 C ATOM 985 CD GLN A 62 -12.139 39.559 -3.937 1.00 0.00 C ATOM 986 OE1 GLN A 62 -13.023 40.050 -4.625 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.555 38.423 -4.275 1.00 0.00 N ATOM 0 H GLN A 62 -8.831 40.185 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.991 40.646 -4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.384 41.901 -2.086 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.341 42.290 -3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.265 39.592 -2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.647 40.653 -2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.820 38.032 -3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.839 37.937 -5.125 1.00 0.00 H new ATOM 996 N LYS A 63 -9.163 43.057 -5.290 1.00 0.00 N ATOM 997 CA LYS A 63 -8.457 44.361 -5.637 1.00 0.00 C ATOM 998 C LYS A 63 -8.153 45.256 -4.471 1.00 0.00 C ATOM 999 O LYS A 63 -8.948 45.418 -3.569 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.291 44.960 -6.777 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.744 45.418 -6.371 1.00 0.00 C ATOM 1002 CD LYS A 63 -11.735 45.524 -7.638 1.00 0.00 C ATOM 1003 CE LYS A 63 -13.078 46.115 -7.169 1.00 0.00 C ATOM 1004 NZ LYS A 63 -12.870 47.501 -6.722 1.00 0.00 N ATOM 0 H LYS A 63 -10.025 42.890 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.433 44.195 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.757 45.818 -7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.369 44.223 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.156 44.712 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.690 46.387 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.294 46.154 -8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.889 44.540 -8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.804 46.088 -7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.488 45.516 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.765 48.027 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.545 47.502 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.153 47.956 -7.323 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.973 45.982 -4.563 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.582 47.053 -3.653 1.00 0.00 C ATOM 1020 C GLU A 64 -6.304 46.571 -2.208 1.00 0.00 C ATOM 1021 O GLU A 64 -6.177 47.417 -1.358 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.645 48.184 -3.741 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.629 48.942 -5.192 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.835 49.870 -5.404 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.960 49.342 -5.512 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -8.622 51.083 -5.595 1.00 0.00 O ATOM 0 H GLU A 64 -6.282 45.810 -5.293 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.617 47.450 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.635 47.763 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.463 48.913 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.711 49.524 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.610 48.194 -5.985 1.00 0.00 H new ATOM 1033 N SER A 65 -6.218 45.269 -2.031 1.00 0.00 N ATOM 1034 CA SER A 65 -5.966 44.516 -0.713 1.00 0.00 C ATOM 1035 C SER A 65 -4.503 44.759 -0.315 1.00 0.00 C ATOM 1036 O SER A 65 -3.667 45.142 -1.121 1.00 0.00 O ATOM 1037 CB SER A 65 -6.167 42.965 -0.869 1.00 0.00 C ATOM 1038 OG SER A 65 -7.567 42.651 -1.177 1.00 0.00 O ATOM 0 H SER A 65 -6.321 44.626 -2.816 1.00 0.00 H new ATOM 0 HA SER A 65 -6.674 44.879 0.033 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.522 42.588 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.870 42.461 0.050 1.00 0.00 H new ATOM 0 HG SER A 65 -7.671 42.536 -2.145 1.00 0.00 H new ATOM 1044 N THR A 66 -4.169 44.513 0.932 1.00 0.00 N ATOM 1045 CA THR A 66 -2.771 44.685 1.409 1.00 0.00 C ATOM 1046 C THR A 66 -2.195 43.372 1.919 1.00 0.00 C ATOM 1047 O THR A 66 -2.703 42.781 2.826 1.00 0.00 O ATOM 1048 CB THR A 66 -2.747 45.670 2.580 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.062 46.883 1.992 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.311 45.866 3.160 1.00 0.00 C ATOM 0 H THR A 66 -4.824 44.195 1.647 1.00 0.00 H new ATOM 0 HA THR A 66 -2.181 45.047 0.567 1.00 0.00 H new ATOM 0 HB THR A 66 -3.405 45.322 3.376 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.072 47.585 2.676 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.347 46.574 3.988 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.929 44.909 3.516 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.654 46.252 2.381 1.00 0.00 H new ATOM 1058 N LEU A 67 -1.073 43.068 1.371 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.225 41.910 1.779 1.00 0.00 C ATOM 1060 C LEU A 67 0.929 42.414 2.663 1.00 0.00 C ATOM 1061 O LEU A 67 1.145 43.617 2.772 1.00 0.00 O ATOM 1062 CB LEU A 67 0.333 41.165 0.551 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.682 40.516 -0.452 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -1.384 41.658 -1.303 1.00 0.00 C ATOM 1065 CD2 LEU A 67 0.146 39.555 -1.409 1.00 0.00 C ATOM 0 H LEU A 67 -0.673 43.607 0.603 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.841 41.208 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.952 41.866 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.993 40.376 0.913 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.453 39.955 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.090 41.209 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.915 42.335 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.629 42.214 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.529 39.083 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.896 40.135 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.639 38.786 -0.814 1.00 0.00 H new ATOM 1077 N HIS A 68 1.542 41.465 3.465 1.00 0.00 N ATOM 1078 CA HIS A 68 2.746 41.776 4.209 1.00 0.00 C ATOM 1079 C HIS A 68 3.929 40.843 3.909 1.00 0.00 C ATOM 1080 O HIS A 68 3.811 39.630 4.046 1.00 0.00 O ATOM 1081 CB HIS A 68 2.525 41.671 5.726 1.00 0.00 C ATOM 1082 CG HIS A 68 1.522 42.645 6.203 1.00 0.00 C ATOM 1083 ND1 HIS A 68 1.801 43.658 7.088 1.00 0.00 N ATOM 1084 CD2 HIS A 68 0.182 42.752 5.966 1.00 0.00 C ATOM 1085 CE1 HIS A 68 0.679 44.293 7.360 1.00 0.00 C ATOM 1086 NE2 HIS A 68 -0.353 43.758 6.721 1.00 0.00 N ATOM 0 H HIS A 68 1.202 40.511 3.586 1.00 0.00 H new ATOM 0 HA HIS A 68 2.980 42.792 3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.199 40.661 5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.470 41.839 6.243 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.375 42.131 5.280 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.608 45.144 8.021 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.332 44.037 6.780 1.00 0.00 H new ATOM 1094 N LEU A 69 5.099 41.426 3.541 1.00 0.00 N ATOM 1095 CA LEU A 69 6.358 40.660 3.453 1.00 0.00 C ATOM 1096 C LEU A 69 7.085 40.668 4.804 1.00 0.00 C ATOM 1097 O LEU A 69 7.198 41.697 5.457 1.00 0.00 O ATOM 1098 CB LEU A 69 7.365 41.305 2.358 1.00 0.00 C ATOM 1099 CG LEU A 69 8.413 40.290 1.862 1.00 0.00 C ATOM 1100 CD1 LEU A 69 7.727 39.471 0.715 1.00 0.00 C ATOM 1101 CD2 LEU A 69 9.691 41.037 1.271 1.00 0.00 C ATOM 0 H LEU A 69 5.191 42.414 3.304 1.00 0.00 H new ATOM 0 HA LEU A 69 6.091 39.644 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.789 41.673 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.873 42.164 2.796 1.00 0.00 H new ATOM 0 HG LEU A 69 8.745 39.654 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.428 38.733 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.846 38.962 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.429 40.147 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.417 40.300 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.390 41.667 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.142 41.656 2.047 1.00 0.00 H new ATOM 1113 N VAL A 70 7.629 39.497 5.177 1.00 0.00 N ATOM 1114 CA VAL A 70 8.733 39.484 6.129 1.00 0.00 C ATOM 1115 C VAL A 70 9.950 38.766 5.458 1.00 0.00 C ATOM 1116 O VAL A 70 9.796 37.945 4.542 1.00 0.00 O ATOM 1117 CB VAL A 70 8.395 38.740 7.462 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.251 39.523 8.330 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.872 37.295 7.142 1.00 0.00 C ATOM 0 H VAL A 70 7.330 38.581 4.843 1.00 0.00 H new ATOM 0 HA VAL A 70 8.952 40.520 6.386 1.00 0.00 H new ATOM 0 HB VAL A 70 9.311 38.702 8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.048 38.970 9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.605 40.523 8.580 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.336 39.598 7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.637 36.779 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.974 37.361 6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.641 36.741 6.604 1.00 0.00 H new ATOM 1129 N LEU A 71 11.164 39.112 5.910 1.00 0.00 N ATOM 1130 CA LEU A 71 12.399 38.531 5.368 1.00 0.00 C ATOM 1131 C LEU A 71 12.572 37.227 6.148 1.00 0.00 C ATOM 1132 O LEU A 71 12.380 37.267 7.371 1.00 0.00 O ATOM 1133 CB LEU A 71 13.615 39.495 5.629 1.00 0.00 C ATOM 1134 CG LEU A 71 14.906 39.157 4.889 1.00 0.00 C ATOM 1135 CD1 LEU A 71 14.749 39.319 3.365 1.00 0.00 C ATOM 1136 CD2 LEU A 71 15.950 40.248 5.334 1.00 0.00 C ATOM 0 H LEU A 71 11.316 39.794 6.653 1.00 0.00 H new ATOM 0 HA LEU A 71 12.353 38.371 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.316 40.507 5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.824 39.503 6.699 1.00 0.00 H new ATOM 0 HG LEU A 71 15.193 38.129 5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.689 39.069 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.964 38.652 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.482 40.350 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.903 40.064 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.583 41.237 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.088 40.200 6.414 1.00 0.00 H new ATOM 1148 N ARG A 72 12.995 36.130 5.430 1.00 0.00 N ATOM 1149 CA ARG A 72 13.590 34.938 6.065 1.00 0.00 C ATOM 1150 C ARG A 72 15.089 35.139 6.216 1.00 0.00 C ATOM 1151 O ARG A 72 15.868 35.389 5.266 1.00 0.00 O ATOM 1152 CB ARG A 72 13.314 33.591 5.353 1.00 0.00 C ATOM 1153 CG ARG A 72 13.638 32.395 6.355 1.00 0.00 C ATOM 1154 CD ARG A 72 12.839 31.111 6.015 1.00 0.00 C ATOM 1155 NE ARG A 72 13.265 30.004 6.969 1.00 0.00 N ATOM 1156 CZ ARG A 72 12.404 29.097 7.393 1.00 0.00 C ATOM 1157 NH1 ARG A 72 11.361 28.777 6.682 1.00 0.00 N ATOM 1158 NH2 ARG A 72 12.745 28.332 8.385 1.00 0.00 N ATOM 0 H ARG A 72 12.927 36.065 4.414 1.00 0.00 H new ATOM 0 HA ARG A 72 13.095 34.852 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.273 33.541 5.033 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.928 33.507 4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.705 32.176 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.407 32.705 7.374 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.769 31.297 6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.024 30.813 4.983 1.00 0.00 H new ATOM 0 HE ARG A 72 14.233 29.962 7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.199 29.229 5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.706 28.074 7.025 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.662 28.439 8.820 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.096 27.624 8.730 1.00 0.00 H new ATOM 1172 N LEU A 73 15.489 35.061 7.489 1.00 0.00 N ATOM 1173 CA LEU A 73 16.850 35.094 7.875 1.00 0.00 C ATOM 1174 C LEU A 73 17.438 33.637 7.897 1.00 0.00 C ATOM 1175 O LEU A 73 16.738 32.612 8.138 1.00 0.00 O ATOM 1176 CB LEU A 73 16.962 35.754 9.262 1.00 0.00 C ATOM 1177 CG LEU A 73 16.488 37.230 9.381 1.00 0.00 C ATOM 1178 CD1 LEU A 73 16.355 37.492 10.898 1.00 0.00 C ATOM 1179 CD2 LEU A 73 17.461 38.200 8.648 1.00 0.00 C ATOM 0 H LEU A 73 14.842 34.972 8.273 1.00 0.00 H new ATOM 0 HA LEU A 73 17.426 35.678 7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.388 35.156 9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.004 35.706 9.577 1.00 0.00 H new ATOM 0 HG LEU A 73 15.532 37.408 8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.023 38.517 11.062 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.627 36.802 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.321 37.342 11.379 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.100 39.223 8.751 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.455 38.120 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.510 37.937 7.591 1.00 0.00 H new ATOM 1191 N ARG A 74 18.789 33.537 7.625 1.00 0.00 N ATOM 1192 CA ARG A 74 19.501 32.270 7.397 1.00 0.00 C ATOM 1193 C ARG A 74 19.926 31.509 8.667 1.00 0.00 C ATOM 1194 O ARG A 74 19.807 31.974 9.750 1.00 0.00 O ATOM 1195 CB ARG A 74 20.776 32.518 6.559 1.00 0.00 C ATOM 1196 CG ARG A 74 20.537 33.102 5.132 1.00 0.00 C ATOM 1197 CD ARG A 74 19.846 32.095 4.187 1.00 0.00 C ATOM 1198 NE ARG A 74 19.780 32.771 2.896 1.00 0.00 N ATOM 1199 CZ ARG A 74 19.011 32.279 1.926 1.00 0.00 C ATOM 1200 NH1 ARG A 74 18.330 31.181 2.004 1.00 0.00 N ATOM 1201 NH2 ARG A 74 18.931 32.838 0.771 1.00 0.00 N ATOM 0 H ARG A 74 19.397 34.354 7.563 1.00 0.00 H new ATOM 0 HA ARG A 74 18.772 31.646 6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 74 21.424 33.201 7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 74 21.315 31.576 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 74 19.925 34.001 5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 74 21.492 33.402 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 74 20.413 31.166 4.118 1.00 0.00 H new ATOM 0 HD3 ARG A 74 18.851 31.835 4.547 1.00 0.00 H new ATOM 0 HE ARG A 74 20.322 33.620 2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 74 18.359 30.622 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.764 30.874 1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 74 19.466 33.684 0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.332 32.435 0.050 1.00 0.00 H new ATOM 1215 N GLY A 75 20.262 30.207 8.525 1.00 0.00 N ATOM 1216 CA GLY A 75 20.655 29.329 9.578 1.00 0.00 C ATOM 1217 C GLY A 75 19.519 28.960 10.549 1.00 0.00 C ATOM 1218 O GLY A 75 19.860 28.647 11.688 1.00 0.00 O ATOM 0 H GLY A 75 20.256 29.746 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.057 28.414 9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.463 29.795 10.142 1.00 0.00 H new ATOM 1222 N GLY A 76 18.227 29.075 10.093 1.00 0.00 N ATOM 1223 CA GLY A 76 17.056 28.539 10.837 1.00 0.00 C ATOM 1224 C GLY A 76 15.770 28.159 9.968 1.00 0.00 C ATOM 1225 O GLY A 76 15.574 28.537 8.800 1.00 0.00 O ATOM 1226 OXT GLY A 76 14.913 27.510 10.549 1.00 0.00 O ATOM 0 H GLY A 76 17.982 29.534 9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.375 27.650 11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.758 29.277 11.582 1.00 0.00 H new TER 1230 GLY A 76