USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 526 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 57 LYS NZ :NH3+ -174:sc= 0.793 (180deg=0) USER MOD Set 1.2: A 67 CYS SG : rot 100:sc= 0.381 USER MOD Single : A 6 THR OG1 : rot 66:sc= 0.559 USER MOD Single : A 10 SER OG : rot -99:sc= 0.469 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 149:sc= 0.0532 USER MOD Single : A 26 HIS : no HD1:sc= -0.727 X(o=-0.73,f=-0.79) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.106 USER MOD Single : A 33 TYR OH : rot 0:sc= -2.11! USER MOD Single : A 36 MET CE :methyl 143:sc= -0.0519 (180deg=-2.34!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= -0.0674 (180deg=-0.439) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.76 F(o=-3.4,f=-0.76) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 6:sc= -5.19! USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 6 5.097 -0.757 -7.914 1.00 0.00 N ATOM 76 CA THR A 6 5.702 -0.893 -6.593 1.00 0.00 C ATOM 77 C THR A 6 5.508 0.376 -5.768 1.00 0.00 C ATOM 78 O THR A 6 6.439 0.855 -5.120 1.00 0.00 O ATOM 79 CB THR A 6 7.193 -1.209 -6.725 1.00 0.00 C ATOM 80 OG1 THR A 6 7.915 -0.059 -7.129 1.00 0.00 O ATOM 81 CG2 THR A 6 7.485 -2.309 -7.722 1.00 0.00 C ATOM 0 HA THR A 6 5.206 -1.715 -6.077 1.00 0.00 H new ATOM 0 HB THR A 6 7.506 -1.545 -5.736 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.876 0.617 -6.421 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.560 -2.483 -7.767 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.982 -3.225 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.124 -2.013 -8.707 1.00 0.00 H new ATOM 89 N VAL A 7 4.294 0.916 -5.794 1.00 0.00 N ATOM 90 CA VAL A 7 3.981 2.128 -5.048 1.00 0.00 C ATOM 91 C VAL A 7 2.548 2.102 -4.522 1.00 0.00 C ATOM 92 O VAL A 7 1.798 1.162 -4.783 1.00 0.00 O ATOM 93 CB VAL A 7 4.186 3.384 -5.908 1.00 0.00 C ATOM 94 CG1 VAL A 7 5.570 3.387 -6.540 1.00 0.00 C ATOM 95 CG2 VAL A 7 3.112 3.458 -6.963 1.00 0.00 C ATOM 0 H VAL A 7 3.511 0.533 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 7 4.668 2.164 -4.202 1.00 0.00 H new ATOM 0 HB VAL A 7 4.113 4.265 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.692 4.286 -7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.328 3.371 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.683 2.507 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.260 4.350 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.164 2.573 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.134 3.504 -6.484 1.00 0.00 H new ATOM 105 N LEU A 8 2.176 3.142 -3.783 1.00 0.00 N ATOM 106 CA LEU A 8 0.833 3.240 -3.223 1.00 0.00 C ATOM 107 C LEU A 8 0.397 4.697 -3.113 1.00 0.00 C ATOM 108 O LEU A 8 1.193 5.569 -2.765 1.00 0.00 O ATOM 109 CB LEU A 8 0.782 2.572 -1.846 1.00 0.00 C ATOM 110 CG LEU A 8 -0.463 1.722 -1.585 1.00 0.00 C ATOM 111 CD1 LEU A 8 -1.726 2.528 -1.847 1.00 0.00 C ATOM 112 CD2 LEU A 8 -0.441 0.467 -2.445 1.00 0.00 C ATOM 0 H LEU A 8 2.785 3.928 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 8 0.146 2.724 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.664 1.942 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.842 3.346 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.461 1.421 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.601 1.906 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.747 3.396 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.737 2.860 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.334 -0.126 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.419 0.748 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.445 -0.121 -2.207 1.00 0.00 H new ATOM 124 N ARG A 9 -0.873 4.953 -3.413 1.00 0.00 N ATOM 125 CA ARG A 9 -1.416 6.305 -3.351 1.00 0.00 C ATOM 126 C ARG A 9 -2.898 6.278 -2.993 1.00 0.00 C ATOM 127 O ARG A 9 -3.640 5.404 -3.442 1.00 0.00 O ATOM 128 CB ARG A 9 -1.218 7.020 -4.689 1.00 0.00 C ATOM 129 CG ARG A 9 0.227 7.396 -4.973 1.00 0.00 C ATOM 130 CD ARG A 9 0.434 7.746 -6.438 1.00 0.00 C ATOM 131 NE ARG A 9 1.828 8.066 -6.733 1.00 0.00 N ATOM 132 CZ ARG A 9 2.223 8.727 -7.818 1.00 0.00 C ATOM 133 NH1 ARG A 9 1.334 9.140 -8.713 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.512 8.977 -8.010 1.00 0.00 N ATOM 0 H ARG A 9 -1.545 4.242 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.880 6.849 -2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.581 6.378 -5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.828 7.923 -4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.512 8.245 -4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.880 6.567 -4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.115 6.909 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.196 8.596 -6.700 1.00 0.00 H new ATOM 0 HE ARG A 9 2.541 7.765 -6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.342 8.951 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.643 9.646 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.200 8.662 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.815 9.484 -8.842 1.00 0.00 H new ATOM 148 N SER A 10 -3.322 7.240 -2.181 1.00 0.00 N ATOM 149 CA SER A 10 -4.716 7.327 -1.760 1.00 0.00 C ATOM 150 C SER A 10 -5.618 7.705 -2.933 1.00 0.00 C ATOM 151 O SER A 10 -5.217 8.465 -3.815 1.00 0.00 O ATOM 152 CB SER A 10 -4.868 8.352 -0.635 1.00 0.00 C ATOM 153 OG SER A 10 -6.234 8.595 -0.347 1.00 0.00 O ATOM 0 H SER A 10 -2.720 7.971 -1.801 1.00 0.00 H new ATOM 0 HA SER A 10 -5.020 6.347 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.363 7.991 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.382 9.285 -0.921 1.00 0.00 H new ATOM 0 HG SER A 10 -6.521 9.418 -0.794 1.00 0.00 H new ATOM 159 N PRO A 11 -6.855 7.179 -2.958 1.00 0.00 N ATOM 160 CA PRO A 11 -7.814 7.467 -4.028 1.00 0.00 C ATOM 161 C PRO A 11 -8.381 8.880 -3.933 1.00 0.00 C ATOM 162 O PRO A 11 -8.797 9.462 -4.935 1.00 0.00 O ATOM 163 CB PRO A 11 -8.917 6.433 -3.800 1.00 0.00 C ATOM 164 CG PRO A 11 -8.863 6.143 -2.340 1.00 0.00 C ATOM 165 CD PRO A 11 -7.416 6.265 -1.944 1.00 0.00 C ATOM 0 HA PRO A 11 -7.354 7.411 -5.015 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.892 6.823 -4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.745 5.533 -4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.481 6.845 -1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.243 5.144 -2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.308 6.668 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.914 5.297 -1.955 1.00 0.00 H new ATOM 173 N SER A 12 -8.394 9.427 -2.721 1.00 0.00 N ATOM 174 CA SER A 12 -8.910 10.772 -2.494 1.00 0.00 C ATOM 175 C SER A 12 -8.250 11.408 -1.275 1.00 0.00 C ATOM 176 O SER A 12 -7.487 10.759 -0.560 1.00 0.00 O ATOM 177 CB SER A 12 -10.428 10.733 -2.305 1.00 0.00 C ATOM 178 OG SER A 12 -10.812 9.644 -1.485 1.00 0.00 O ATOM 0 H SER A 12 -8.053 8.959 -1.881 1.00 0.00 H new ATOM 0 HA SER A 12 -8.676 11.378 -3.369 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.766 11.667 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.916 10.651 -3.276 1.00 0.00 H new ATOM 0 HG SER A 12 -11.786 9.642 -1.378 1.00 0.00 H new ATOM 184 N ALA A 13 -8.548 12.683 -1.045 1.00 0.00 N ATOM 185 CA ALA A 13 -7.982 13.407 0.087 1.00 0.00 C ATOM 186 C ALA A 13 -8.663 13.006 1.392 1.00 0.00 C ATOM 187 O ALA A 13 -9.876 13.153 1.542 1.00 0.00 O ATOM 188 CB ALA A 13 -8.102 14.907 -0.134 1.00 0.00 C ATOM 0 H ALA A 13 -9.178 13.235 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.927 13.145 0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.676 15.436 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.564 15.186 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.153 15.176 -0.239 1.00 0.00 H new ATOM 194 N GLY A 14 -7.873 12.501 2.334 1.00 0.00 N ATOM 195 CA GLY A 14 -8.416 12.088 3.614 1.00 0.00 C ATOM 196 C GLY A 14 -7.467 12.367 4.764 1.00 0.00 C ATOM 197 O GLY A 14 -6.917 13.463 4.872 1.00 0.00 O ATOM 0 H GLY A 14 -6.866 12.371 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.358 12.607 3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.641 11.022 3.583 1.00 0.00 H new ATOM 201 N LYS A 15 -7.275 11.372 5.624 1.00 0.00 N ATOM 202 CA LYS A 15 -6.386 11.514 6.772 1.00 0.00 C ATOM 203 C LYS A 15 -6.003 10.149 7.333 1.00 0.00 C ATOM 204 O LYS A 15 -6.832 9.244 7.407 1.00 0.00 O ATOM 205 CB LYS A 15 -7.054 12.357 7.860 1.00 0.00 C ATOM 206 CG LYS A 15 -6.075 12.936 8.868 1.00 0.00 C ATOM 207 CD LYS A 15 -6.018 12.099 10.135 1.00 0.00 C ATOM 208 CE LYS A 15 -7.028 12.578 11.165 1.00 0.00 C ATOM 209 NZ LYS A 15 -6.558 13.799 11.877 1.00 0.00 N ATOM 0 H LYS A 15 -7.723 10.459 5.548 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.479 12.018 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.603 13.173 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.784 11.743 8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.082 12.990 8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.369 13.956 9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.213 11.055 9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.015 12.146 10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.977 12.788 10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.213 11.784 11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.275 14.094 12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.665 13.592 12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.406 14.565 11.190 1.00 0.00 H new ATOM 223 N LEU A 16 -4.741 10.009 7.727 1.00 0.00 N ATOM 224 CA LEU A 16 -4.248 8.753 8.281 1.00 0.00 C ATOM 225 C LEU A 16 -4.880 8.474 9.642 1.00 0.00 C ATOM 226 O LEU A 16 -4.419 8.978 10.666 1.00 0.00 O ATOM 227 CB LEU A 16 -2.724 8.796 8.416 1.00 0.00 C ATOM 228 CG LEU A 16 -2.043 7.432 8.541 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.481 6.509 7.414 1.00 0.00 C ATOM 230 CD2 LEU A 16 -0.530 7.592 8.543 1.00 0.00 C ATOM 0 H LEU A 16 -4.042 10.749 7.673 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.525 7.950 7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.313 9.312 7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.469 9.393 9.292 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.344 6.983 9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.986 5.544 7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.561 6.369 7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.211 6.952 6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.061 6.612 8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.213 8.063 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.231 8.216 9.385 1.00 0.00 H new ATOM 242 N THR A 17 -5.938 7.670 9.644 1.00 0.00 N ATOM 243 CA THR A 17 -6.633 7.326 10.880 1.00 0.00 C ATOM 244 C THR A 17 -5.848 6.294 11.687 1.00 0.00 C ATOM 245 O THR A 17 -5.746 6.399 12.909 1.00 0.00 O ATOM 246 CB THR A 17 -8.035 6.795 10.572 1.00 0.00 C ATOM 247 OG1 THR A 17 -8.773 6.609 11.766 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.029 5.479 9.827 1.00 0.00 C ATOM 0 H THR A 17 -6.333 7.245 8.805 1.00 0.00 H new ATOM 0 HA THR A 17 -6.719 8.233 11.479 1.00 0.00 H new ATOM 0 HB THR A 17 -8.495 7.550 9.935 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.667 6.271 11.549 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.055 5.161 9.642 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.510 5.601 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.518 4.725 10.425 1.00 0.00 H new ATOM 256 N GLN A 18 -5.300 5.295 10.999 1.00 0.00 N ATOM 257 CA GLN A 18 -4.532 4.248 11.662 1.00 0.00 C ATOM 258 C GLN A 18 -3.744 3.421 10.647 1.00 0.00 C ATOM 259 O GLN A 18 -3.527 3.854 9.516 1.00 0.00 O ATOM 260 CB GLN A 18 -5.467 3.343 12.470 1.00 0.00 C ATOM 261 CG GLN A 18 -4.929 2.986 13.846 1.00 0.00 C ATOM 262 CD GLN A 18 -5.980 3.105 14.933 1.00 0.00 C ATOM 263 OE1 GLN A 18 -6.867 2.260 15.049 1.00 0.00 O ATOM 264 NE2 GLN A 18 -5.885 4.159 15.735 1.00 0.00 N ATOM 0 H GLN A 18 -5.374 5.190 9.987 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.821 4.722 12.339 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.431 3.839 12.583 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.645 2.425 11.909 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.544 1.966 13.828 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.090 3.639 14.084 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.133 4.835 15.602 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.564 4.293 16.484 1.00 0.00 H new ATOM 273 N TYR A 19 -3.317 2.229 11.059 1.00 0.00 N ATOM 274 CA TYR A 19 -2.553 1.345 10.186 1.00 0.00 C ATOM 275 C TYR A 19 -2.806 -0.117 10.539 1.00 0.00 C ATOM 276 O TYR A 19 -2.913 -0.473 11.713 1.00 0.00 O ATOM 277 CB TYR A 19 -1.060 1.656 10.289 1.00 0.00 C ATOM 278 CG TYR A 19 -0.518 1.566 11.698 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.047 0.361 12.206 1.00 0.00 C ATOM 280 CD2 TYR A 19 -0.479 2.684 12.521 1.00 0.00 C ATOM 281 CE1 TYR A 19 0.448 0.274 13.493 1.00 0.00 C ATOM 282 CE2 TYR A 19 0.015 2.606 13.809 1.00 0.00 C ATOM 283 CZ TYR A 19 0.477 1.399 14.290 1.00 0.00 C ATOM 284 OH TYR A 19 0.969 1.316 15.573 1.00 0.00 O ATOM 0 H TYR A 19 -3.488 1.854 11.992 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.881 1.515 9.161 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.509 0.964 9.652 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.879 2.659 9.902 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.068 -0.522 11.584 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.841 3.631 12.148 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.810 -0.670 13.873 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.039 3.485 14.436 1.00 0.00 H new ATOM 0 HH TYR A 19 0.920 2.197 16.000 1.00 0.00 H new ATOM 294 N THR A 20 -2.904 -0.959 9.515 1.00 0.00 N ATOM 295 CA THR A 20 -3.149 -2.383 9.715 1.00 0.00 C ATOM 296 C THR A 20 -1.845 -3.181 9.712 1.00 0.00 C ATOM 297 O THR A 20 -1.826 -4.349 10.101 1.00 0.00 O ATOM 298 CB THR A 20 -4.085 -2.916 8.629 1.00 0.00 C ATOM 299 OG1 THR A 20 -3.390 -3.083 7.406 1.00 0.00 O ATOM 300 CG2 THR A 20 -5.271 -2.013 8.364 1.00 0.00 C ATOM 0 H THR A 20 -2.817 -0.680 8.538 1.00 0.00 H new ATOM 0 HA THR A 20 -3.619 -2.505 10.691 1.00 0.00 H new ATOM 0 HB THR A 20 -4.453 -3.870 9.008 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.782 -3.830 6.907 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.894 -2.450 7.583 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.857 -1.904 9.277 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.918 -1.034 8.041 1.00 0.00 H new ATOM 308 N VAL A 21 -0.759 -2.552 9.270 1.00 0.00 N ATOM 309 CA VAL A 21 0.537 -3.219 9.221 1.00 0.00 C ATOM 310 C VAL A 21 1.679 -2.228 9.419 1.00 0.00 C ATOM 311 O VAL A 21 1.606 -1.082 8.974 1.00 0.00 O ATOM 312 CB VAL A 21 0.738 -3.956 7.884 1.00 0.00 C ATOM 313 CG1 VAL A 21 -0.289 -5.067 7.726 1.00 0.00 C ATOM 314 CG2 VAL A 21 0.664 -2.982 6.717 1.00 0.00 C ATOM 0 H VAL A 21 -0.751 -1.586 8.942 1.00 0.00 H new ATOM 0 HA VAL A 21 0.548 -3.944 10.034 1.00 0.00 H new ATOM 0 HB VAL A 21 1.730 -4.407 7.887 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.131 -5.576 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.181 -5.781 8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.292 -4.641 7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.809 -3.523 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.312 -2.498 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.443 -2.227 6.823 1.00 0.00 H new ATOM 324 N GLU A 22 2.734 -2.679 10.089 1.00 0.00 N ATOM 325 CA GLU A 22 3.895 -1.837 10.349 1.00 0.00 C ATOM 326 C GLU A 22 4.642 -1.525 9.056 1.00 0.00 C ATOM 327 O GLU A 22 4.245 -1.963 7.976 1.00 0.00 O ATOM 328 CB GLU A 22 4.836 -2.524 11.340 1.00 0.00 C ATOM 329 CG GLU A 22 5.326 -3.884 10.869 1.00 0.00 C ATOM 330 CD GLU A 22 6.796 -4.108 11.163 1.00 0.00 C ATOM 331 OE1 GLU A 22 7.132 -4.391 12.332 1.00 0.00 O ATOM 332 OE2 GLU A 22 7.612 -4.000 10.224 1.00 0.00 O ATOM 0 H GLU A 22 2.809 -3.625 10.462 1.00 0.00 H new ATOM 0 HA GLU A 22 3.543 -0.900 10.780 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.696 -1.879 11.519 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.322 -2.642 12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.739 -4.665 11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.156 -3.976 9.796 1.00 0.00 H new ATOM 339 N ASP A 23 5.727 -0.767 9.175 1.00 0.00 N ATOM 340 CA ASP A 23 6.532 -0.398 8.016 1.00 0.00 C ATOM 341 C ASP A 23 7.075 -1.638 7.314 1.00 0.00 C ATOM 342 O ASP A 23 7.725 -2.480 7.935 1.00 0.00 O ATOM 343 CB ASP A 23 7.689 0.510 8.440 1.00 0.00 C ATOM 344 CG ASP A 23 7.236 1.642 9.341 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.838 2.700 8.810 1.00 0.00 O ATOM 346 OD2 ASP A 23 7.278 1.470 10.577 1.00 0.00 O ATOM 0 H ASP A 23 6.069 -0.396 10.062 1.00 0.00 H new ATOM 0 HA ASP A 23 5.892 0.142 7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.442 -0.084 8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.166 0.925 7.552 1.00 0.00 H new ATOM 351 N GLY A 24 6.802 -1.746 6.018 1.00 0.00 N ATOM 352 CA GLY A 24 7.270 -2.888 5.255 1.00 0.00 C ATOM 353 C GLY A 24 6.462 -4.141 5.533 1.00 0.00 C ATOM 354 O GLY A 24 6.967 -5.256 5.402 1.00 0.00 O ATOM 0 H GLY A 24 6.265 -1.063 5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.220 -2.656 4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.317 -3.075 5.492 1.00 0.00 H new ATOM 358 N GLY A 25 5.203 -3.957 5.918 1.00 0.00 N ATOM 359 CA GLY A 25 4.343 -5.089 6.209 1.00 0.00 C ATOM 360 C GLY A 25 3.976 -5.873 4.964 1.00 0.00 C ATOM 361 O GLY A 25 3.269 -5.370 4.091 1.00 0.00 O ATOM 0 H GLY A 25 4.763 -3.044 6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.844 -5.750 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.433 -4.735 6.693 1.00 0.00 H new ATOM 365 N HIS A 26 4.459 -7.108 4.882 1.00 0.00 N ATOM 366 CA HIS A 26 4.178 -7.964 3.735 1.00 0.00 C ATOM 367 C HIS A 26 2.682 -8.234 3.610 1.00 0.00 C ATOM 368 O HIS A 26 2.061 -8.780 4.523 1.00 0.00 O ATOM 369 CB HIS A 26 4.938 -9.285 3.858 1.00 0.00 C ATOM 370 CG HIS A 26 4.581 -10.069 5.083 1.00 0.00 C ATOM 371 ND1 HIS A 26 5.206 -9.890 6.300 1.00 0.00 N ATOM 372 CD2 HIS A 26 3.657 -11.040 5.277 1.00 0.00 C ATOM 373 CE1 HIS A 26 4.683 -10.717 7.187 1.00 0.00 C ATOM 374 NE2 HIS A 26 3.741 -11.425 6.592 1.00 0.00 N ATOM 0 H HIS A 26 5.047 -7.539 5.596 1.00 0.00 H new ATOM 0 HA HIS A 26 4.511 -7.444 2.837 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.738 -9.893 2.976 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.008 -9.079 3.867 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.980 -11.437 4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.976 -10.800 8.223 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.168 -12.142 7.037 1.00 0.00 H new ATOM 383 N VAL A 27 2.108 -7.848 2.475 1.00 0.00 N ATOM 384 CA VAL A 27 0.685 -8.048 2.232 1.00 0.00 C ATOM 385 C VAL A 27 0.415 -8.345 0.760 1.00 0.00 C ATOM 386 O VAL A 27 0.994 -7.717 -0.126 1.00 0.00 O ATOM 387 CB VAL A 27 -0.136 -6.815 2.652 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.025 -6.584 4.151 1.00 0.00 C ATOM 389 CG2 VAL A 27 0.315 -5.584 1.880 1.00 0.00 C ATOM 0 H VAL A 27 2.607 -7.395 1.709 1.00 0.00 H new ATOM 0 HA VAL A 27 0.379 -8.902 2.836 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.183 -7.001 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.612 -5.708 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.403 -7.457 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.019 -6.420 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.277 -4.723 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.369 -5.393 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.177 -5.753 0.812 1.00 0.00 H new ATOM 399 N GLU A 28 -0.468 -9.305 0.507 1.00 0.00 N ATOM 400 CA GLU A 28 -0.814 -9.683 -0.858 1.00 0.00 C ATOM 401 C GLU A 28 -1.896 -8.765 -1.419 1.00 0.00 C ATOM 402 O GLU A 28 -2.595 -8.083 -0.670 1.00 0.00 O ATOM 403 CB GLU A 28 -1.284 -11.139 -0.905 1.00 0.00 C ATOM 404 CG GLU A 28 -2.646 -11.364 -0.267 1.00 0.00 C ATOM 405 CD GLU A 28 -2.609 -12.394 0.845 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.656 -13.603 0.537 1.00 0.00 O ATOM 407 OE2 GLU A 28 -2.534 -11.990 2.025 1.00 0.00 O ATOM 0 H GLU A 28 -0.957 -9.835 1.229 1.00 0.00 H new ATOM 0 HA GLU A 28 0.079 -9.579 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.321 -11.466 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.548 -11.765 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.017 -10.419 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.352 -11.687 -1.032 1.00 0.00 H new ATOM 414 N ALA A 29 -2.029 -8.754 -2.743 1.00 0.00 N ATOM 415 CA ALA A 29 -3.026 -7.923 -3.410 1.00 0.00 C ATOM 416 C ALA A 29 -4.397 -8.060 -2.751 1.00 0.00 C ATOM 417 O ALA A 29 -4.874 -9.170 -2.515 1.00 0.00 O ATOM 418 CB ALA A 29 -3.111 -8.284 -4.885 1.00 0.00 C ATOM 0 H ALA A 29 -1.457 -9.313 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.713 -6.883 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.858 -7.657 -5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.141 -8.123 -5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.395 -9.331 -4.987 1.00 0.00 H new ATOM 424 N GLY A 30 -5.025 -6.926 -2.460 1.00 0.00 N ATOM 425 CA GLY A 30 -6.334 -6.944 -1.834 1.00 0.00 C ATOM 426 C GLY A 30 -6.262 -6.821 -0.323 1.00 0.00 C ATOM 427 O GLY A 30 -7.219 -6.382 0.315 1.00 0.00 O ATOM 0 H GLY A 30 -4.651 -5.995 -2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.934 -6.126 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.844 -7.871 -2.095 1.00 0.00 H new ATOM 431 N SER A 31 -5.128 -7.210 0.250 1.00 0.00 N ATOM 432 CA SER A 31 -4.940 -7.141 1.695 1.00 0.00 C ATOM 433 C SER A 31 -4.791 -5.695 2.157 1.00 0.00 C ATOM 434 O SER A 31 -3.999 -4.934 1.601 1.00 0.00 O ATOM 435 CB SER A 31 -3.711 -7.951 2.110 1.00 0.00 C ATOM 436 OG SER A 31 -3.418 -7.766 3.484 1.00 0.00 O ATOM 0 H SER A 31 -4.326 -7.576 -0.263 1.00 0.00 H new ATOM 0 HA SER A 31 -5.824 -7.566 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.885 -9.009 1.911 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.853 -7.650 1.508 1.00 0.00 H new ATOM 0 HG SER A 31 -2.629 -8.296 3.725 1.00 0.00 H new ATOM 442 N SER A 32 -5.557 -5.323 3.177 1.00 0.00 N ATOM 443 CA SER A 32 -5.509 -3.968 3.714 1.00 0.00 C ATOM 444 C SER A 32 -4.164 -3.693 4.378 1.00 0.00 C ATOM 445 O SER A 32 -3.609 -4.556 5.058 1.00 0.00 O ATOM 446 CB SER A 32 -6.641 -3.756 4.721 1.00 0.00 C ATOM 447 OG SER A 32 -7.012 -4.977 5.337 1.00 0.00 O ATOM 0 H SER A 32 -6.218 -5.940 3.648 1.00 0.00 H new ATOM 0 HA SER A 32 -5.634 -3.271 2.885 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.326 -3.042 5.482 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.504 -3.323 4.216 1.00 0.00 H new ATOM 0 HG SER A 32 -7.736 -4.814 5.977 1.00 0.00 H new ATOM 453 N TYR A 33 -3.644 -2.487 4.174 1.00 0.00 N ATOM 454 CA TYR A 33 -2.360 -2.100 4.753 1.00 0.00 C ATOM 455 C TYR A 33 -2.503 -0.888 5.676 1.00 0.00 C ATOM 456 O TYR A 33 -1.595 -0.578 6.447 1.00 0.00 O ATOM 457 CB TYR A 33 -1.348 -1.799 3.643 1.00 0.00 C ATOM 458 CG TYR A 33 -1.630 -0.519 2.888 1.00 0.00 C ATOM 459 CD1 TYR A 33 -1.306 0.717 3.434 1.00 0.00 C ATOM 460 CD2 TYR A 33 -2.217 -0.546 1.629 1.00 0.00 C ATOM 461 CE1 TYR A 33 -1.560 1.889 2.748 1.00 0.00 C ATOM 462 CE2 TYR A 33 -2.474 0.622 0.936 1.00 0.00 C ATOM 463 CZ TYR A 33 -2.144 1.836 1.500 1.00 0.00 C ATOM 464 OH TYR A 33 -2.398 3.001 0.814 1.00 0.00 O ATOM 0 H TYR A 33 -4.090 -1.761 3.613 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.999 -2.937 5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.351 -1.740 4.080 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.338 -2.630 2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.848 0.762 4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.477 -1.495 1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.303 2.842 3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.931 0.584 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.106 3.767 1.351 1.00 0.00 H new ATOM 474 N ALA A 34 -3.643 -0.207 5.595 1.00 0.00 N ATOM 475 CA ALA A 34 -3.893 0.965 6.425 1.00 0.00 C ATOM 476 C ALA A 34 -5.328 1.450 6.267 1.00 0.00 C ATOM 477 O ALA A 34 -6.137 0.817 5.590 1.00 0.00 O ATOM 478 CB ALA A 34 -2.917 2.079 6.074 1.00 0.00 C ATOM 0 H ALA A 34 -4.407 -0.447 4.963 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.744 0.681 7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.116 2.948 6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.896 1.735 6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.039 2.353 5.026 1.00 0.00 H new ATOM 484 N GLU A 35 -5.636 2.578 6.897 1.00 0.00 N ATOM 485 CA GLU A 35 -6.975 3.150 6.829 1.00 0.00 C ATOM 486 C GLU A 35 -6.911 4.673 6.831 1.00 0.00 C ATOM 487 O GLU A 35 -5.879 5.260 7.157 1.00 0.00 O ATOM 488 CB GLU A 35 -7.823 2.666 8.008 1.00 0.00 C ATOM 489 CG GLU A 35 -7.641 1.192 8.332 1.00 0.00 C ATOM 490 CD GLU A 35 -6.564 0.952 9.372 1.00 0.00 C ATOM 491 OE1 GLU A 35 -5.374 1.154 9.051 1.00 0.00 O ATOM 492 OE2 GLU A 35 -6.910 0.564 10.507 1.00 0.00 O ATOM 0 H GLU A 35 -4.976 3.114 7.461 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.437 2.820 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.572 3.256 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.874 2.853 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.585 0.784 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.387 0.652 7.420 1.00 0.00 H new ATOM 499 N MET A 36 -8.020 5.307 6.468 1.00 0.00 N ATOM 500 CA MET A 36 -8.088 6.762 6.432 1.00 0.00 C ATOM 501 C MET A 36 -9.513 7.245 6.683 1.00 0.00 C ATOM 502 O MET A 36 -10.447 6.841 5.990 1.00 0.00 O ATOM 503 CB MET A 36 -7.582 7.286 5.086 1.00 0.00 C ATOM 504 CG MET A 36 -8.490 6.944 3.916 1.00 0.00 C ATOM 505 SD MET A 36 -7.710 7.249 2.319 1.00 0.00 S ATOM 506 CE MET A 36 -9.083 6.948 1.209 1.00 0.00 C ATOM 0 H MET A 36 -8.883 4.837 6.195 1.00 0.00 H new ATOM 0 HA MET A 36 -7.449 7.152 7.224 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.473 8.369 5.145 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.590 6.876 4.896 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.779 5.895 3.980 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.405 7.532 3.987 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.039 7.651 0.377 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.025 5.929 0.826 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.022 7.081 1.747 1.00 0.00 H new ATOM 516 N GLU A 37 -9.673 8.110 7.679 1.00 0.00 N ATOM 517 CA GLU A 37 -10.984 8.646 8.022 1.00 0.00 C ATOM 518 C GLU A 37 -11.273 9.926 7.245 1.00 0.00 C ATOM 519 O GLU A 37 -10.693 10.976 7.520 1.00 0.00 O ATOM 520 CB GLU A 37 -11.069 8.919 9.525 1.00 0.00 C ATOM 521 CG GLU A 37 -12.482 9.192 10.016 1.00 0.00 C ATOM 522 CD GLU A 37 -12.517 9.683 11.450 1.00 0.00 C ATOM 523 OE1 GLU A 37 -12.305 10.894 11.668 1.00 0.00 O ATOM 524 OE2 GLU A 37 -12.756 8.856 12.354 1.00 0.00 O ATOM 0 H GLU A 37 -8.911 8.454 8.263 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.733 7.902 7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.665 8.062 10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.438 9.774 9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.950 9.935 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.074 8.280 9.934 1.00 0.00 H new ATOM 531 N VAL A 38 -12.175 9.829 6.275 1.00 0.00 N ATOM 532 CA VAL A 38 -12.547 10.977 5.457 1.00 0.00 C ATOM 533 C VAL A 38 -13.751 11.697 6.056 1.00 0.00 C ATOM 534 O VAL A 38 -14.372 11.204 6.998 1.00 0.00 O ATOM 535 CB VAL A 38 -12.879 10.560 4.007 1.00 0.00 C ATOM 536 CG1 VAL A 38 -12.658 11.722 3.051 1.00 0.00 C ATOM 537 CG2 VAL A 38 -12.049 9.355 3.585 1.00 0.00 C ATOM 0 H VAL A 38 -12.663 8.966 6.036 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.688 11.648 5.440 1.00 0.00 H new ATOM 0 HB VAL A 38 -13.931 10.278 3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.897 11.408 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.302 12.554 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.616 12.038 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.301 9.081 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.990 9.604 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.262 8.516 4.248 1.00 0.00 H new ATOM 547 N MET A 39 -14.079 12.863 5.509 1.00 0.00 N ATOM 548 CA MET A 39 -15.211 13.642 5.998 1.00 0.00 C ATOM 549 C MET A 39 -16.503 12.835 5.913 1.00 0.00 C ATOM 550 O MET A 39 -17.429 13.044 6.696 1.00 0.00 O ATOM 551 CB MET A 39 -15.351 14.937 5.196 1.00 0.00 C ATOM 552 CG MET A 39 -14.050 15.713 5.061 1.00 0.00 C ATOM 553 SD MET A 39 -14.171 17.396 5.700 1.00 0.00 S ATOM 554 CE MET A 39 -14.130 17.093 7.464 1.00 0.00 C ATOM 0 H MET A 39 -13.578 13.289 4.729 1.00 0.00 H new ATOM 0 HA MET A 39 -15.026 13.889 7.043 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.728 14.699 4.201 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.095 15.573 5.675 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.259 15.183 5.592 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.760 15.748 4.011 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.196 18.041 7.998 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.972 16.459 7.744 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.197 16.594 7.726 1.00 0.00 H new ATOM 564 N LYS A 40 -16.555 11.909 4.961 1.00 0.00 N ATOM 565 CA LYS A 40 -17.732 11.068 4.778 1.00 0.00 C ATOM 566 C LYS A 40 -17.774 9.960 5.827 1.00 0.00 C ATOM 567 O LYS A 40 -18.569 10.011 6.765 1.00 0.00 O ATOM 568 CB LYS A 40 -17.736 10.458 3.375 1.00 0.00 C ATOM 569 CG LYS A 40 -18.428 11.326 2.337 1.00 0.00 C ATOM 570 CD LYS A 40 -17.449 12.269 1.657 1.00 0.00 C ATOM 571 CE LYS A 40 -18.094 12.994 0.487 1.00 0.00 C ATOM 572 NZ LYS A 40 -18.527 12.051 -0.581 1.00 0.00 N ATOM 0 H LYS A 40 -15.797 11.722 4.305 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.618 11.692 4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.707 10.282 3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.229 9.487 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.903 10.691 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.220 11.904 2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.082 12.998 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.585 11.706 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.955 13.561 0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.388 13.713 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.642 12.569 -1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.809 11.308 -0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.433 11.617 -0.314 1.00 0.00 H new ATOM 586 N MET A 41 -16.913 8.961 5.660 1.00 0.00 N ATOM 587 CA MET A 41 -16.852 7.841 6.592 1.00 0.00 C ATOM 588 C MET A 41 -15.451 7.237 6.625 1.00 0.00 C ATOM 589 O MET A 41 -14.534 7.732 5.971 1.00 0.00 O ATOM 590 CB MET A 41 -17.873 6.771 6.203 1.00 0.00 C ATOM 591 CG MET A 41 -19.228 6.952 6.867 1.00 0.00 C ATOM 592 SD MET A 41 -20.214 5.443 6.857 1.00 0.00 S ATOM 593 CE MET A 41 -21.081 5.595 8.417 1.00 0.00 C ATOM 0 H MET A 41 -16.248 8.904 4.888 1.00 0.00 H new ATOM 0 HA MET A 41 -17.090 8.215 7.588 1.00 0.00 H new ATOM 0 HB2 MET A 41 -18.004 6.782 5.121 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.477 5.790 6.466 1.00 0.00 H new ATOM 0 HG2 MET A 41 -19.083 7.280 7.896 1.00 0.00 H new ATOM 0 HG3 MET A 41 -19.776 7.743 6.355 1.00 0.00 H new ATOM 0 HE1 MET A 41 -21.734 4.733 8.556 1.00 0.00 H new ATOM 0 HE2 MET A 41 -20.359 5.638 9.232 1.00 0.00 H new ATOM 0 HE3 MET A 41 -21.679 6.506 8.414 1.00 0.00 H new ATOM 603 N ILE A 42 -15.296 6.160 7.390 1.00 0.00 N ATOM 604 CA ILE A 42 -14.009 5.484 7.507 1.00 0.00 C ATOM 605 C ILE A 42 -13.787 4.529 6.338 1.00 0.00 C ATOM 606 O ILE A 42 -14.738 3.972 5.790 1.00 0.00 O ATOM 607 CB ILE A 42 -13.908 4.698 8.831 1.00 0.00 C ATOM 608 CG1 ILE A 42 -12.546 4.009 8.947 1.00 0.00 C ATOM 609 CG2 ILE A 42 -15.032 3.677 8.927 1.00 0.00 C ATOM 610 CD1 ILE A 42 -11.375 4.966 8.896 1.00 0.00 C ATOM 0 H ILE A 42 -16.046 5.737 7.938 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.238 6.255 7.494 1.00 0.00 H new ATOM 0 HB ILE A 42 -14.006 5.401 9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -12.509 3.452 9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.446 3.283 8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -14.948 3.130 9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -15.993 4.190 8.891 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -14.961 2.979 8.093 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.444 4.406 8.984 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.386 5.505 7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.450 5.677 9.719 1.00 0.00 H new ATOM 622 N MET A 43 -12.526 4.346 5.960 1.00 0.00 N ATOM 623 CA MET A 43 -12.183 3.458 4.855 1.00 0.00 C ATOM 624 C MET A 43 -10.854 2.755 5.109 1.00 0.00 C ATOM 625 O MET A 43 -10.039 3.214 5.909 1.00 0.00 O ATOM 626 CB MET A 43 -12.115 4.244 3.544 1.00 0.00 C ATOM 627 CG MET A 43 -13.463 4.401 2.859 1.00 0.00 C ATOM 628 SD MET A 43 -13.889 2.983 1.830 1.00 0.00 S ATOM 629 CE MET A 43 -13.979 3.751 0.215 1.00 0.00 C ATOM 0 H MET A 43 -11.726 4.800 6.402 1.00 0.00 H new ATOM 0 HA MET A 43 -12.963 2.700 4.778 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.701 5.232 3.743 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.427 3.741 2.864 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.236 4.542 3.615 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.451 5.301 2.244 1.00 0.00 H new ATOM 0 HE1 MET A 43 -14.235 2.999 -0.532 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.743 4.528 0.224 1.00 0.00 H new ATOM 0 HE3 MET A 43 -13.014 4.194 -0.032 1.00 0.00 H new ATOM 639 N THR A 44 -10.642 1.638 4.420 1.00 0.00 N ATOM 640 CA THR A 44 -9.411 0.867 4.567 1.00 0.00 C ATOM 641 C THR A 44 -8.672 0.766 3.237 1.00 0.00 C ATOM 642 O THR A 44 -9.263 0.423 2.213 1.00 0.00 O ATOM 643 CB THR A 44 -9.719 -0.536 5.099 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.065 -0.627 5.532 1.00 0.00 O ATOM 645 CG2 THR A 44 -8.837 -0.944 6.259 1.00 0.00 C ATOM 0 H THR A 44 -11.307 1.246 3.754 1.00 0.00 H new ATOM 0 HA THR A 44 -8.772 1.386 5.282 1.00 0.00 H new ATOM 0 HB THR A 44 -9.527 -1.208 4.262 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.241 -1.531 5.866 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.108 -1.948 6.587 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.794 -0.935 5.944 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.973 -0.244 7.083 1.00 0.00 H new ATOM 653 N LEU A 45 -7.377 1.062 3.259 1.00 0.00 N ATOM 654 CA LEU A 45 -6.562 1.000 2.054 1.00 0.00 C ATOM 655 C LEU A 45 -5.925 -0.377 1.901 1.00 0.00 C ATOM 656 O LEU A 45 -5.618 -1.043 2.890 1.00 0.00 O ATOM 657 CB LEU A 45 -5.475 2.074 2.089 1.00 0.00 C ATOM 658 CG LEU A 45 -5.893 3.443 1.550 1.00 0.00 C ATOM 659 CD1 LEU A 45 -6.508 3.310 0.165 1.00 0.00 C ATOM 660 CD2 LEU A 45 -6.865 4.120 2.507 1.00 0.00 C ATOM 0 H LEU A 45 -6.871 1.347 4.097 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.212 1.180 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.139 2.194 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.619 1.721 1.514 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.002 4.066 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.798 4.295 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.779 2.871 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.388 2.669 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.151 5.093 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.754 3.499 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.387 4.253 3.477 1.00 0.00 H new ATOM 672 N ASN A 46 -5.733 -0.798 0.656 1.00 0.00 N ATOM 673 CA ASN A 46 -5.134 -2.097 0.373 1.00 0.00 C ATOM 674 C ASN A 46 -4.102 -1.991 -0.744 1.00 0.00 C ATOM 675 O ASN A 46 -3.936 -0.934 -1.353 1.00 0.00 O ATOM 676 CB ASN A 46 -6.217 -3.107 -0.011 1.00 0.00 C ATOM 677 CG ASN A 46 -7.138 -2.584 -1.095 1.00 0.00 C ATOM 678 OD1 ASN A 46 -6.930 -2.843 -2.281 1.00 0.00 O ATOM 679 ND2 ASN A 46 -8.163 -1.841 -0.693 1.00 0.00 N ATOM 0 H ASN A 46 -5.983 -0.259 -0.173 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.629 -2.440 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.746 -4.029 -0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.805 -3.358 0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.816 -1.460 -1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.297 -1.652 0.300 1.00 0.00 H new ATOM 686 N VAL A 47 -3.410 -3.095 -1.008 1.00 0.00 N ATOM 687 CA VAL A 47 -2.394 -3.129 -2.053 1.00 0.00 C ATOM 688 C VAL A 47 -2.980 -3.622 -3.371 1.00 0.00 C ATOM 689 O VAL A 47 -3.955 -4.373 -3.386 1.00 0.00 O ATOM 690 CB VAL A 47 -1.213 -4.035 -1.658 1.00 0.00 C ATOM 691 CG1 VAL A 47 -0.372 -3.376 -0.576 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.714 -5.396 -1.200 1.00 0.00 C ATOM 0 H VAL A 47 -3.535 -3.978 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.033 -2.108 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.583 -4.182 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.457 -4.031 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.019 -2.428 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.988 -3.196 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.865 -6.022 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.368 -5.271 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.268 -5.871 -2.009 1.00 0.00 H new ATOM 702 N GLN A 48 -2.380 -3.195 -4.477 1.00 0.00 N ATOM 703 CA GLN A 48 -2.844 -3.593 -5.801 1.00 0.00 C ATOM 704 C GLN A 48 -2.239 -4.932 -6.219 1.00 0.00 C ATOM 705 O GLN A 48 -2.779 -5.625 -7.081 1.00 0.00 O ATOM 706 CB GLN A 48 -2.503 -2.513 -6.835 1.00 0.00 C ATOM 707 CG GLN A 48 -1.021 -2.415 -7.168 1.00 0.00 C ATOM 708 CD GLN A 48 -0.252 -1.571 -6.171 1.00 0.00 C ATOM 709 OE1 GLN A 48 0.525 -2.226 -5.316 1.00 0.00 O flip ATOM 710 NE2 GLN A 48 -0.354 -0.344 -6.169 1.00 0.00 N flip ATOM 0 H GLN A 48 -1.571 -2.573 -4.483 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.927 -3.709 -5.755 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.057 -2.715 -7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.845 -1.548 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.592 -3.417 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.904 -1.989 -8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.963 0.118 -6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.170 0.210 -5.492 1.00 0.00 H new ATOM 719 N GLU A 49 -1.114 -5.290 -5.605 1.00 0.00 N ATOM 720 CA GLU A 49 -0.441 -6.545 -5.919 1.00 0.00 C ATOM 721 C GLU A 49 0.385 -7.033 -4.734 1.00 0.00 C ATOM 722 O GLU A 49 0.501 -6.347 -3.719 1.00 0.00 O ATOM 723 CB GLU A 49 0.458 -6.372 -7.145 1.00 0.00 C ATOM 724 CG GLU A 49 -0.303 -6.020 -8.413 1.00 0.00 C ATOM 725 CD GLU A 49 0.603 -5.902 -9.623 1.00 0.00 C ATOM 726 OE1 GLU A 49 1.222 -6.918 -10.003 1.00 0.00 O ATOM 727 OE2 GLU A 49 0.695 -4.793 -10.190 1.00 0.00 O ATOM 0 H GLU A 49 -0.651 -4.730 -4.889 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.204 -7.292 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.189 -5.590 -6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.015 -7.294 -7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.058 -6.783 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.831 -5.078 -8.266 1.00 0.00 H new ATOM 734 N ARG A 50 0.957 -8.224 -4.873 1.00 0.00 N ATOM 735 CA ARG A 50 1.774 -8.810 -3.816 1.00 0.00 C ATOM 736 C ARG A 50 3.075 -8.034 -3.639 1.00 0.00 C ATOM 737 O ARG A 50 3.726 -7.663 -4.616 1.00 0.00 O ATOM 738 CB ARG A 50 2.081 -10.275 -4.133 1.00 0.00 C ATOM 739 CG ARG A 50 0.933 -11.220 -3.815 1.00 0.00 C ATOM 740 CD ARG A 50 -0.038 -11.328 -4.979 1.00 0.00 C ATOM 741 NE ARG A 50 0.522 -12.091 -6.092 1.00 0.00 N ATOM 742 CZ ARG A 50 -0.038 -12.164 -7.297 1.00 0.00 C ATOM 743 NH1 ARG A 50 -1.173 -11.522 -7.550 1.00 0.00 N ATOM 744 NH2 ARG A 50 0.537 -12.880 -8.253 1.00 0.00 N ATOM 0 H ARG A 50 0.870 -8.803 -5.708 1.00 0.00 H new ATOM 0 HA ARG A 50 1.210 -8.756 -2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.332 -10.364 -5.190 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.961 -10.583 -3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.328 -12.207 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.404 -10.867 -2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.958 -11.804 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.304 -10.328 -5.323 1.00 0.00 H new ATOM 0 HE ARG A 50 1.394 -12.598 -5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.620 -10.969 -6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.597 -11.582 -8.476 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.409 -13.375 -8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.108 -12.936 -9.177 1.00 0.00 H new ATOM 758 N GLY A 51 3.450 -7.793 -2.387 1.00 0.00 N ATOM 759 CA GLY A 51 4.672 -7.063 -2.107 1.00 0.00 C ATOM 760 C GLY A 51 4.706 -6.505 -0.697 1.00 0.00 C ATOM 761 O GLY A 51 3.740 -6.639 0.054 1.00 0.00 O ATOM 0 H GLY A 51 2.929 -8.090 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.527 -7.723 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.774 -6.245 -2.820 1.00 0.00 H new ATOM 765 N ARG A 52 5.821 -5.877 -0.338 1.00 0.00 N ATOM 766 CA ARG A 52 5.977 -5.297 0.990 1.00 0.00 C ATOM 767 C ARG A 52 5.603 -3.818 0.984 1.00 0.00 C ATOM 768 O ARG A 52 6.209 -3.017 0.273 1.00 0.00 O ATOM 769 CB ARG A 52 7.417 -5.469 1.479 1.00 0.00 C ATOM 770 CG ARG A 52 7.627 -6.714 2.326 1.00 0.00 C ATOM 771 CD ARG A 52 8.105 -7.886 1.484 1.00 0.00 C ATOM 772 NE ARG A 52 9.399 -7.621 0.860 1.00 0.00 N ATOM 773 CZ ARG A 52 10.194 -8.569 0.370 1.00 0.00 C ATOM 774 NH1 ARG A 52 9.832 -9.845 0.429 1.00 0.00 N ATOM 775 NH2 ARG A 52 11.355 -8.242 -0.180 1.00 0.00 N ATOM 0 H ARG A 52 6.629 -5.757 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 52 5.305 -5.821 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.082 -5.510 0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.702 -4.592 2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.357 -6.505 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.694 -6.979 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.180 -8.775 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.367 -8.102 0.711 1.00 0.00 H new ATOM 0 HE ARG A 52 9.712 -6.652 0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.940 -10.103 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.446 -10.567 0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.639 -7.264 -0.228 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.964 -8.969 -0.555 1.00 0.00 H new ATOM 789 N VAL A 53 4.600 -3.464 1.781 1.00 0.00 N ATOM 790 CA VAL A 53 4.144 -2.082 1.867 1.00 0.00 C ATOM 791 C VAL A 53 5.023 -1.271 2.812 1.00 0.00 C ATOM 792 O VAL A 53 5.200 -1.633 3.975 1.00 0.00 O ATOM 793 CB VAL A 53 2.682 -2.001 2.346 1.00 0.00 C ATOM 794 CG1 VAL A 53 2.171 -0.571 2.266 1.00 0.00 C ATOM 795 CG2 VAL A 53 1.801 -2.936 1.531 1.00 0.00 C ATOM 0 H VAL A 53 4.088 -4.115 2.376 1.00 0.00 H new ATOM 0 HA VAL A 53 4.213 -1.664 0.863 1.00 0.00 H new ATOM 0 HB VAL A 53 2.643 -2.318 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.137 -0.534 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.785 0.071 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.224 -0.223 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.772 -2.865 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.845 -2.653 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.154 -3.961 1.646 1.00 0.00 H new ATOM 805 N LYS A 54 5.569 -0.171 2.305 1.00 0.00 N ATOM 806 CA LYS A 54 6.428 0.695 3.103 1.00 0.00 C ATOM 807 C LYS A 54 5.806 2.079 3.255 1.00 0.00 C ATOM 808 O LYS A 54 5.667 2.817 2.281 1.00 0.00 O ATOM 809 CB LYS A 54 7.811 0.812 2.458 1.00 0.00 C ATOM 810 CG LYS A 54 8.757 -0.315 2.838 1.00 0.00 C ATOM 811 CD LYS A 54 10.199 0.033 2.509 1.00 0.00 C ATOM 812 CE LYS A 54 11.173 -0.882 3.233 1.00 0.00 C ATOM 813 NZ LYS A 54 12.589 -0.536 2.933 1.00 0.00 N ATOM 0 H LYS A 54 5.432 0.142 1.344 1.00 0.00 H new ATOM 0 HA LYS A 54 6.535 0.251 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.697 0.829 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.258 1.763 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.666 -0.524 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.472 -1.225 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.357 -0.045 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.397 1.068 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.003 -0.815 4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.983 -1.916 2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.221 -1.183 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.759 -0.624 1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.778 0.442 3.232 1.00 0.00 H new ATOM 827 N TYR A 55 5.429 2.421 4.482 1.00 0.00 N ATOM 828 CA TYR A 55 4.816 3.714 4.763 1.00 0.00 C ATOM 829 C TYR A 55 5.732 4.863 4.350 1.00 0.00 C ATOM 830 O TYR A 55 6.919 4.874 4.678 1.00 0.00 O ATOM 831 CB TYR A 55 4.480 3.828 6.251 1.00 0.00 C ATOM 832 CG TYR A 55 3.114 3.285 6.606 1.00 0.00 C ATOM 833 CD1 TYR A 55 2.656 2.092 6.061 1.00 0.00 C ATOM 834 CD2 TYR A 55 2.283 3.966 7.487 1.00 0.00 C ATOM 835 CE1 TYR A 55 1.409 1.593 6.384 1.00 0.00 C ATOM 836 CE2 TYR A 55 1.035 3.473 7.815 1.00 0.00 C ATOM 837 CZ TYR A 55 0.602 2.287 7.261 1.00 0.00 C ATOM 838 OH TYR A 55 -0.640 1.793 7.585 1.00 0.00 O ATOM 0 H TYR A 55 5.537 1.820 5.299 1.00 0.00 H new ATOM 0 HA TYR A 55 3.898 3.782 4.179 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.235 3.294 6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.534 4.875 6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.285 1.546 5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.618 4.896 7.922 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.068 0.664 5.952 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.401 4.014 8.502 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.753 0.905 7.186 1.00 0.00 H new ATOM 848 N ILE A 56 5.168 5.835 3.639 1.00 0.00 N ATOM 849 CA ILE A 56 5.927 6.997 3.190 1.00 0.00 C ATOM 850 C ILE A 56 5.555 8.224 4.017 1.00 0.00 C ATOM 851 O ILE A 56 6.422 8.912 4.555 1.00 0.00 O ATOM 852 CB ILE A 56 5.687 7.280 1.684 1.00 0.00 C ATOM 853 CG1 ILE A 56 6.688 6.499 0.830 1.00 0.00 C ATOM 854 CG2 ILE A 56 5.788 8.771 1.376 1.00 0.00 C ATOM 855 CD1 ILE A 56 6.708 5.015 1.120 1.00 0.00 C ATOM 0 H ILE A 56 4.187 5.841 3.361 1.00 0.00 H new ATOM 0 HA ILE A 56 6.986 6.778 3.330 1.00 0.00 H new ATOM 0 HB ILE A 56 4.677 6.952 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.450 6.651 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.686 6.905 0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.615 8.935 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.039 9.313 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.782 9.131 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.441 4.528 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.976 4.852 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.721 4.594 0.929 1.00 0.00 H new ATOM 867 N LYS A 57 4.259 8.486 4.112 1.00 0.00 N ATOM 868 CA LYS A 57 3.759 9.623 4.871 1.00 0.00 C ATOM 869 C LYS A 57 3.912 9.385 6.370 1.00 0.00 C ATOM 870 O LYS A 57 4.222 8.275 6.803 1.00 0.00 O ATOM 871 CB LYS A 57 2.292 9.871 4.521 1.00 0.00 C ATOM 872 CG LYS A 57 2.042 11.214 3.852 1.00 0.00 C ATOM 873 CD LYS A 57 2.882 11.378 2.595 1.00 0.00 C ATOM 874 CE LYS A 57 3.446 12.785 2.482 1.00 0.00 C ATOM 875 NZ LYS A 57 2.376 13.797 2.261 1.00 0.00 N ATOM 0 H LYS A 57 3.532 7.923 3.670 1.00 0.00 H new ATOM 0 HA LYS A 57 4.345 10.503 4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.946 9.076 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.695 9.812 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.986 11.304 3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.272 12.018 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.699 10.657 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.274 11.157 1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.995 13.030 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.159 12.825 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.808 14.727 2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.804 13.523 1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.768 13.849 3.103 1.00 0.00 H new ATOM 889 N ARG A 58 3.690 10.432 7.158 1.00 0.00 N ATOM 890 CA ARG A 58 3.803 10.333 8.608 1.00 0.00 C ATOM 891 C ARG A 58 2.451 10.007 9.237 1.00 0.00 C ATOM 892 O ARG A 58 1.406 10.185 8.610 1.00 0.00 O ATOM 893 CB ARG A 58 4.348 11.640 9.189 1.00 0.00 C ATOM 894 CG ARG A 58 5.862 11.665 9.314 1.00 0.00 C ATOM 895 CD ARG A 58 6.535 11.630 7.951 1.00 0.00 C ATOM 896 NE ARG A 58 7.991 11.596 8.059 1.00 0.00 N ATOM 897 CZ ARG A 58 8.800 11.226 7.069 1.00 0.00 C ATOM 898 NH1 ARG A 58 8.299 10.859 5.896 1.00 0.00 N ATOM 899 NH2 ARG A 58 10.113 11.223 7.252 1.00 0.00 N ATOM 0 H ARG A 58 3.431 11.358 6.817 1.00 0.00 H new ATOM 0 HA ARG A 58 4.496 9.524 8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.030 12.469 8.557 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.908 11.802 10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.169 12.563 9.849 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.193 10.812 9.906 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.192 10.754 7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.235 12.506 7.376 1.00 0.00 H new ATOM 0 HE ARG A 58 8.413 11.872 8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.290 10.860 5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.923 10.576 5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.503 11.504 8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.733 10.939 6.493 1.00 0.00 H new ATOM 913 N PRO A 59 2.452 9.524 10.492 1.00 0.00 N ATOM 914 CA PRO A 59 1.218 9.174 11.204 1.00 0.00 C ATOM 915 C PRO A 59 0.361 10.398 11.505 1.00 0.00 C ATOM 916 O PRO A 59 0.844 11.387 12.056 1.00 0.00 O ATOM 917 CB PRO A 59 1.719 8.537 12.503 1.00 0.00 C ATOM 918 CG PRO A 59 3.091 9.085 12.694 1.00 0.00 C ATOM 919 CD PRO A 59 3.652 9.282 11.313 1.00 0.00 C ATOM 0 HA PRO A 59 0.580 8.516 10.614 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.072 8.791 13.343 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.735 7.450 12.430 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.063 10.027 13.242 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.709 8.398 13.272 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.342 10.125 11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.202 8.404 10.973 1.00 0.00 H new ATOM 927 N GLY A 60 -0.913 10.323 11.137 1.00 0.00 N ATOM 928 CA GLY A 60 -1.821 11.431 11.372 1.00 0.00 C ATOM 929 C GLY A 60 -1.850 12.420 10.219 1.00 0.00 C ATOM 930 O GLY A 60 -2.768 13.234 10.117 1.00 0.00 O ATOM 0 H GLY A 60 -1.334 9.514 10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.826 11.043 11.538 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.526 11.950 12.284 1.00 0.00 H new ATOM 934 N ALA A 61 -0.845 12.352 9.350 1.00 0.00 N ATOM 935 CA ALA A 61 -0.760 13.249 8.203 1.00 0.00 C ATOM 936 C ALA A 61 -2.010 13.158 7.334 1.00 0.00 C ATOM 937 O ALA A 61 -2.603 12.089 7.192 1.00 0.00 O ATOM 938 CB ALA A 61 0.480 12.935 7.380 1.00 0.00 C ATOM 0 H ALA A 61 -0.077 11.684 9.419 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.687 14.270 8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.531 13.612 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.369 13.062 7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.430 11.906 7.024 1.00 0.00 H new ATOM 944 N VAL A 62 -2.402 14.287 6.751 1.00 0.00 N ATOM 945 CA VAL A 62 -3.577 14.334 5.891 1.00 0.00 C ATOM 946 C VAL A 62 -3.262 13.781 4.506 1.00 0.00 C ATOM 947 O VAL A 62 -2.322 14.226 3.848 1.00 0.00 O ATOM 948 CB VAL A 62 -4.112 15.772 5.748 1.00 0.00 C ATOM 949 CG1 VAL A 62 -5.445 15.776 5.017 1.00 0.00 C ATOM 950 CG2 VAL A 62 -4.241 16.431 7.113 1.00 0.00 C ATOM 0 H VAL A 62 -1.922 15.181 6.859 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.341 13.716 6.363 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.400 16.349 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.807 16.800 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.316 15.347 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.169 15.184 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.620 17.446 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.931 15.857 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.264 16.463 7.595 1.00 0.00 H new ATOM 960 N LEU A 63 -4.052 12.806 4.069 1.00 0.00 N ATOM 961 CA LEU A 63 -3.854 12.191 2.761 1.00 0.00 C ATOM 962 C LEU A 63 -4.509 13.022 1.663 1.00 0.00 C ATOM 963 O LEU A 63 -5.566 13.619 1.868 1.00 0.00 O ATOM 964 CB LEU A 63 -4.422 10.771 2.750 1.00 0.00 C ATOM 965 CG LEU A 63 -3.561 9.723 3.459 1.00 0.00 C ATOM 966 CD1 LEU A 63 -2.141 9.742 2.913 1.00 0.00 C ATOM 967 CD2 LEU A 63 -3.560 9.963 4.961 1.00 0.00 C ATOM 0 H LEU A 63 -4.835 12.425 4.601 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.782 12.147 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.407 10.786 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.565 10.461 1.715 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.989 8.739 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.543 8.991 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.159 9.522 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.703 10.727 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.943 9.209 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.156 10.954 5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.580 9.899 5.340 1.00 0.00 H new ATOM 979 N GLU A 64 -3.874 13.055 0.495 1.00 0.00 N ATOM 980 CA GLU A 64 -4.394 13.811 -0.638 1.00 0.00 C ATOM 981 C GLU A 64 -4.627 12.899 -1.838 1.00 0.00 C ATOM 982 O GLU A 64 -3.919 11.909 -2.025 1.00 0.00 O ATOM 983 CB GLU A 64 -3.425 14.933 -1.017 1.00 0.00 C ATOM 984 CG GLU A 64 -2.905 15.717 0.177 1.00 0.00 C ATOM 985 CD GLU A 64 -2.314 17.056 -0.219 1.00 0.00 C ATOM 986 OE1 GLU A 64 -3.083 18.034 -0.331 1.00 0.00 O ATOM 987 OE2 GLU A 64 -1.083 17.126 -0.416 1.00 0.00 O ATOM 0 H GLU A 64 -2.998 12.566 0.309 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.348 14.248 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.580 14.505 -1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.925 15.618 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.719 15.878 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.147 15.127 0.692 1.00 0.00 H new ATOM 994 N ALA A 65 -5.622 13.240 -2.650 1.00 0.00 N ATOM 995 CA ALA A 65 -5.947 12.452 -3.832 1.00 0.00 C ATOM 996 C ALA A 65 -4.776 12.419 -4.808 1.00 0.00 C ATOM 997 O ALA A 65 -4.601 13.334 -5.613 1.00 0.00 O ATOM 998 CB ALA A 65 -7.188 13.009 -4.513 1.00 0.00 C ATOM 0 H ALA A 65 -6.217 14.057 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.149 11.430 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.419 12.411 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.029 12.975 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.006 14.041 -4.813 1.00 0.00 H new ATOM 1004 N GLY A 66 -3.976 11.360 -4.730 1.00 0.00 N ATOM 1005 CA GLY A 66 -2.831 11.230 -5.613 1.00 0.00 C ATOM 1006 C GLY A 66 -1.521 11.115 -4.856 1.00 0.00 C ATOM 1007 O GLY A 66 -0.536 10.598 -5.383 1.00 0.00 O ATOM 0 H GLY A 66 -4.100 10.591 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.961 10.350 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.788 12.094 -6.276 1.00 0.00 H new ATOM 1011 N CYS A 67 -1.508 11.598 -3.617 1.00 0.00 N ATOM 1012 CA CYS A 67 -0.308 11.547 -2.790 1.00 0.00 C ATOM 1013 C CYS A 67 0.082 10.105 -2.483 1.00 0.00 C ATOM 1014 O CYS A 67 -0.777 9.231 -2.365 1.00 0.00 O ATOM 1015 CB CYS A 67 -0.529 12.316 -1.486 1.00 0.00 C ATOM 1016 SG CYS A 67 0.939 12.423 -0.435 1.00 0.00 S ATOM 0 H CYS A 67 -2.314 12.029 -3.165 1.00 0.00 H new ATOM 0 HA CYS A 67 0.505 12.013 -3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -0.867 13.325 -1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.331 11.836 -0.925 1.00 0.00 H new ATOM 0 HG CYS A 67 1.501 13.585 -0.592 1.00 0.00 H new ATOM 1022 N VAL A 68 1.382 9.863 -2.357 1.00 0.00 N ATOM 1023 CA VAL A 68 1.887 8.526 -2.064 1.00 0.00 C ATOM 1024 C VAL A 68 1.796 8.219 -0.573 1.00 0.00 C ATOM 1025 O VAL A 68 2.583 8.728 0.225 1.00 0.00 O ATOM 1026 CB VAL A 68 3.348 8.362 -2.523 1.00 0.00 C ATOM 1027 CG1 VAL A 68 3.772 6.904 -2.443 1.00 0.00 C ATOM 1028 CG2 VAL A 68 3.528 8.902 -3.934 1.00 0.00 C ATOM 0 H VAL A 68 2.106 10.575 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 68 1.261 7.824 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 68 3.987 8.939 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.807 6.808 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.684 6.555 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.130 6.303 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.566 8.778 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.879 8.355 -4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.268 9.960 -3.955 1.00 0.00 H new ATOM 1038 N VAL A 69 0.829 7.385 -0.205 1.00 0.00 N ATOM 1039 CA VAL A 69 0.631 7.011 1.190 1.00 0.00 C ATOM 1040 C VAL A 69 1.577 5.888 1.609 1.00 0.00 C ATOM 1041 O VAL A 69 1.800 5.667 2.799 1.00 0.00 O ATOM 1042 CB VAL A 69 -0.819 6.564 1.451 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -1.062 6.377 2.941 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -1.802 7.566 0.864 1.00 0.00 C ATOM 0 H VAL A 69 0.170 6.955 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 69 0.846 7.900 1.783 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.977 5.605 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.092 6.061 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.383 5.617 3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.885 7.319 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.821 7.233 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.645 8.542 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.645 7.643 -0.212 1.00 0.00 H new ATOM 1054 N ALA A 70 2.129 5.176 0.629 1.00 0.00 N ATOM 1055 CA ALA A 70 3.044 4.077 0.913 1.00 0.00 C ATOM 1056 C ALA A 70 3.803 3.646 -0.337 1.00 0.00 C ATOM 1057 O ALA A 70 3.713 4.287 -1.384 1.00 0.00 O ATOM 1058 CB ALA A 70 2.282 2.897 1.496 1.00 0.00 C ATOM 0 H ALA A 70 1.959 5.340 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 70 3.773 4.429 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.976 2.083 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.792 3.201 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.531 2.560 0.782 1.00 0.00 H new ATOM 1064 N ARG A 71 4.551 2.553 -0.217 1.00 0.00 N ATOM 1065 CA ARG A 71 5.329 2.029 -1.332 1.00 0.00 C ATOM 1066 C ARG A 71 5.320 0.503 -1.329 1.00 0.00 C ATOM 1067 O ARG A 71 5.450 -0.125 -0.279 1.00 0.00 O ATOM 1068 CB ARG A 71 6.769 2.542 -1.261 1.00 0.00 C ATOM 1069 CG ARG A 71 6.994 3.832 -2.033 1.00 0.00 C ATOM 1070 CD ARG A 71 6.885 3.612 -3.533 1.00 0.00 C ATOM 1071 NE ARG A 71 8.171 3.784 -4.206 1.00 0.00 N ATOM 1072 CZ ARG A 71 8.800 4.951 -4.316 1.00 0.00 C ATOM 1073 NH1 ARG A 71 8.268 6.051 -3.797 1.00 0.00 N ATOM 1074 NH2 ARG A 71 9.965 5.020 -4.945 1.00 0.00 N ATOM 0 H ARG A 71 4.634 2.013 0.644 1.00 0.00 H new ATOM 0 HA ARG A 71 4.872 2.377 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.038 2.702 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.439 1.775 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.262 4.577 -1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.979 4.233 -1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.506 2.608 -3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.161 4.312 -3.950 1.00 0.00 H new ATOM 0 HE ARG A 71 8.612 2.961 -4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.373 6.004 -3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.755 6.943 -3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.379 4.178 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.447 5.915 -5.029 1.00 0.00 H new ATOM 1088 N LEU A 72 5.164 -0.087 -2.509 1.00 0.00 N ATOM 1089 CA LEU A 72 5.138 -1.539 -2.637 1.00 0.00 C ATOM 1090 C LEU A 72 6.519 -2.080 -2.993 1.00 0.00 C ATOM 1091 O LEU A 72 7.357 -1.362 -3.539 1.00 0.00 O ATOM 1092 CB LEU A 72 4.117 -1.960 -3.699 1.00 0.00 C ATOM 1093 CG LEU A 72 2.887 -2.692 -3.159 1.00 0.00 C ATOM 1094 CD1 LEU A 72 3.302 -3.878 -2.303 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.009 -1.738 -2.362 1.00 0.00 C ATOM 0 H LEU A 72 5.054 0.417 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 72 4.844 -1.959 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.786 -1.071 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.614 -2.603 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 72 2.311 -3.067 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.413 -4.385 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.890 -4.572 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.901 -3.528 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.138 -2.274 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.578 -1.334 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.682 -0.921 -3.005 1.00 0.00 H new