USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 614 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 61 CYS SG : rot -144:sc= -1.24! USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.139 K(o=-2.3,f=-4.2!) USER MOD Set 1.3: A 85 CYS SG : rot 20:sc= -0.0298 USER MOD Set 1.4: A 88 CYS SG : rot -131:sc= 2.13 USER MOD Set 1.5: A 90 THR OG1 : rot 102:sc= 1.33 USER MOD Set 1.6: A 92 TYR OH : rot -60:sc= -4.35! USER MOD Set 2.1: A 28 CYS SG : rot 120:sc= 0.84 USER MOD Set 2.2: A 31 CYS SG : rot -59:sc= -0.749 USER MOD Set 2.3: A 39 SER OG : rot 50:sc= 1.87 USER MOD Set 2.4: A 66 HIS : no HE2:sc= -2.21! C(o=-0.21!,f=-10!) USER MOD Set 2.5: A 69 CYS SG : rot 9:sc= 0.0367! USER MOD Single : A 11 GLN : amide:sc= -0.0478 K(o=-0.048,f=-1.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -73:sc= -0.906 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 4:sc=0.000349 USER MOD Single : A 42 SER OG : rot -104:sc= 0.0114 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 50:sc= 0.181 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -72:sc= 0.00659 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -63:sc= 0.725 USER MOD Single : A 73 MET CE :methyl -153:sc= -0.188 (180deg=-0.858) USER MOD Single : A 74 TYR OH : rot 160:sc= 0.0235 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 60:sc= 0.489 USER MOD Single : A 84 GLN : amide:sc= -14.4! C(o=-14!,f=-26!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -4.124 8.012 -0.758 1.00 0.00 N ATOM 67 CA GLU A 8 -3.004 7.421 -1.481 1.00 0.00 C ATOM 68 C GLU A 8 -3.181 5.911 -1.618 1.00 0.00 C ATOM 69 O GLU A 8 -3.791 5.253 -0.775 1.00 0.00 O ATOM 70 CB GLU A 8 -1.687 7.727 -0.764 1.00 0.00 C ATOM 71 CG GLU A 8 -1.302 9.197 -0.799 1.00 0.00 C ATOM 72 CD GLU A 8 0.171 9.421 -0.519 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.706 8.766 0.400 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.789 10.251 -1.218 1.00 0.00 O ATOM 0 HA GLU A 8 -2.977 7.859 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.765 7.405 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.890 7.140 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.549 9.610 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.895 9.742 -0.064 1.00 0.00 H new ATOM 81 N PRO A 9 -2.636 5.349 -2.707 1.00 0.00 N ATOM 82 CA PRO A 9 -2.721 3.911 -2.982 1.00 0.00 C ATOM 83 C PRO A 9 -1.880 3.086 -2.014 1.00 0.00 C ATOM 84 O PRO A 9 -2.332 2.061 -1.504 1.00 0.00 O ATOM 85 CB PRO A 9 -2.172 3.789 -4.405 1.00 0.00 C ATOM 86 CG PRO A 9 -1.278 4.970 -4.569 1.00 0.00 C ATOM 87 CD PRO A 9 -1.895 6.072 -3.754 1.00 0.00 C ATOM 0 HA PRO A 9 -3.737 3.533 -2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.624 2.856 -4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.976 3.796 -5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.269 4.747 -4.223 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.199 5.257 -5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.137 6.730 -3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.556 6.695 -4.356 1.00 0.00 H new ATOM 95 N GLU A 10 -0.656 3.539 -1.766 1.00 0.00 N ATOM 96 CA GLU A 10 0.248 2.841 -0.859 1.00 0.00 C ATOM 97 C GLU A 10 -0.490 2.379 0.395 1.00 0.00 C ATOM 98 O GLU A 10 -0.338 1.239 0.832 1.00 0.00 O ATOM 99 CB GLU A 10 1.418 3.747 -0.471 1.00 0.00 C ATOM 100 CG GLU A 10 2.582 3.001 0.161 1.00 0.00 C ATOM 101 CD GLU A 10 2.451 2.884 1.667 1.00 0.00 C ATOM 102 OE1 GLU A 10 1.305 2.833 2.160 1.00 0.00 O ATOM 103 OE2 GLU A 10 3.494 2.844 2.352 1.00 0.00 O ATOM 0 H GLU A 10 -0.267 4.386 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 10 0.635 1.963 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.772 4.270 -1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.063 4.507 0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.648 2.003 -0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.512 3.515 -0.080 1.00 0.00 H new ATOM 110 N GLN A 11 -1.288 3.274 0.968 1.00 0.00 N ATOM 111 CA GLN A 11 -2.048 2.959 2.172 1.00 0.00 C ATOM 112 C GLN A 11 -3.144 1.942 1.873 1.00 0.00 C ATOM 113 O GLN A 11 -3.341 0.987 2.625 1.00 0.00 O ATOM 114 CB GLN A 11 -2.662 4.231 2.760 1.00 0.00 C ATOM 115 CG GLN A 11 -1.745 4.958 3.730 1.00 0.00 C ATOM 116 CD GLN A 11 -1.755 4.344 5.115 1.00 0.00 C ATOM 117 OE1 GLN A 11 -1.336 3.201 5.304 1.00 0.00 O ATOM 118 NE2 GLN A 11 -2.236 5.100 6.095 1.00 0.00 N ATOM 0 H GLN A 11 -1.425 4.222 0.618 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.364 2.524 2.900 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.925 4.907 1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.589 3.973 3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.727 4.947 3.339 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.049 6.003 3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.573 6.042 5.894 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.269 4.739 7.048 1.00 0.00 H new ATOM 127 N VAL A 12 -3.856 2.153 0.771 1.00 0.00 N ATOM 128 CA VAL A 12 -4.932 1.254 0.372 1.00 0.00 C ATOM 129 C VAL A 12 -4.446 -0.189 0.304 1.00 0.00 C ATOM 130 O VAL A 12 -5.111 -1.103 0.794 1.00 0.00 O ATOM 131 CB VAL A 12 -5.518 1.651 -0.996 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.586 0.658 -1.429 1.00 0.00 C ATOM 133 CG2 VAL A 12 -6.081 3.064 -0.944 1.00 0.00 C ATOM 0 H VAL A 12 -3.707 2.939 0.138 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.710 1.337 1.130 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.717 1.630 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.988 0.955 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.147 -0.337 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.389 0.643 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.491 3.328 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.869 3.114 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.286 3.763 -0.683 1.00 0.00 H new ATOM 143 N ILE A 13 -3.282 -0.388 -0.305 1.00 0.00 N ATOM 144 CA ILE A 13 -2.706 -1.720 -0.435 1.00 0.00 C ATOM 145 C ILE A 13 -2.575 -2.398 0.925 1.00 0.00 C ATOM 146 O ILE A 13 -3.158 -3.455 1.162 1.00 0.00 O ATOM 147 CB ILE A 13 -1.321 -1.671 -1.107 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.432 -1.075 -2.511 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.710 -3.064 -1.164 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.232 -1.929 -3.469 1.00 0.00 C ATOM 0 H ILE A 13 -2.719 0.357 -0.716 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.385 -2.298 -1.062 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.668 -1.033 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.894 -0.090 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.430 -0.930 -2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.268 -3.013 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.600 -3.455 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.360 -3.723 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.269 -1.444 -4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.759 -2.906 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.245 -2.053 -3.087 1.00 0.00 H new ATOM 162 N ARG A 14 -1.806 -1.780 1.816 1.00 0.00 N ATOM 163 CA ARG A 14 -1.598 -2.323 3.153 1.00 0.00 C ATOM 164 C ARG A 14 -2.926 -2.481 3.888 1.00 0.00 C ATOM 165 O ARG A 14 -3.118 -3.427 4.652 1.00 0.00 O ATOM 166 CB ARG A 14 -0.664 -1.416 3.956 1.00 0.00 C ATOM 167 CG ARG A 14 0.771 -1.423 3.454 1.00 0.00 C ATOM 168 CD ARG A 14 1.584 -2.531 4.104 1.00 0.00 C ATOM 169 NE ARG A 14 3.019 -2.268 4.038 1.00 0.00 N ATOM 170 CZ ARG A 14 3.618 -1.290 4.708 1.00 0.00 C ATOM 171 NH1 ARG A 14 2.910 -0.487 5.491 1.00 0.00 N ATOM 172 NH2 ARG A 14 4.928 -1.114 4.597 1.00 0.00 N ATOM 0 H ARG A 14 -1.317 -0.903 1.636 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.139 -3.306 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.046 -0.396 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.676 -1.729 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.778 -1.552 2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.235 -0.459 3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.283 -2.638 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.366 -3.478 3.610 1.00 0.00 H new ATOM 0 HE ARG A 14 3.592 -2.868 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.903 -0.620 5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.373 0.263 6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.476 -1.730 3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.387 -0.363 5.112 1.00 0.00 H new ATOM 186 N LYS A 15 -3.842 -1.547 3.652 1.00 0.00 N ATOM 187 CA LYS A 15 -5.152 -1.581 4.290 1.00 0.00 C ATOM 188 C LYS A 15 -5.835 -2.925 4.059 1.00 0.00 C ATOM 189 O LYS A 15 -6.560 -3.420 4.922 1.00 0.00 O ATOM 190 CB LYS A 15 -6.033 -0.450 3.753 1.00 0.00 C ATOM 191 CG LYS A 15 -7.366 -0.325 4.470 1.00 0.00 C ATOM 192 CD LYS A 15 -8.133 0.904 4.011 1.00 0.00 C ATOM 193 CE LYS A 15 -9.610 0.802 4.359 1.00 0.00 C ATOM 194 NZ LYS A 15 -9.853 1.011 5.813 1.00 0.00 N ATOM 0 H LYS A 15 -3.700 -0.757 3.023 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.010 -1.445 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.493 0.493 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.215 -0.616 2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.964 -1.218 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.198 -0.269 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.709 1.794 4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.019 1.024 2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.170 1.542 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.985 -0.178 4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.871 0.934 6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.339 0.289 6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.518 1.956 6.089 1.00 0.00 H new ATOM 208 N TYR A 16 -5.598 -3.511 2.891 1.00 0.00 N ATOM 209 CA TYR A 16 -6.190 -4.797 2.546 1.00 0.00 C ATOM 210 C TYR A 16 -5.173 -5.924 2.697 1.00 0.00 C ATOM 211 O TYR A 16 -5.536 -7.082 2.907 1.00 0.00 O ATOM 212 CB TYR A 16 -6.727 -4.768 1.114 1.00 0.00 C ATOM 213 CG TYR A 16 -7.796 -3.722 0.889 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.882 -3.614 1.748 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.717 -2.840 -0.182 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.861 -2.660 1.546 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.690 -1.882 -0.391 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.760 -1.797 0.475 1.00 0.00 C ATOM 219 OH TYR A 16 -10.732 -0.844 0.271 1.00 0.00 O ATOM 0 H TYR A 16 -4.999 -3.115 2.166 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.016 -4.983 3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.900 -4.583 0.428 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.133 -5.749 0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.963 -4.287 2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.881 -2.905 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.700 -2.591 2.223 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.613 -1.203 -1.228 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.511 -0.317 -0.525 1.00 0.00 H new ATOM 229 N THR A 17 -3.894 -5.576 2.587 1.00 0.00 N ATOM 230 CA THR A 17 -2.823 -6.556 2.711 1.00 0.00 C ATOM 231 C THR A 17 -1.975 -6.291 3.949 1.00 0.00 C ATOM 232 O THR A 17 -1.488 -5.180 4.153 1.00 0.00 O ATOM 233 CB THR A 17 -1.912 -6.552 1.468 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.394 -5.235 1.245 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.673 -7.018 0.237 1.00 0.00 C ATOM 0 H THR A 17 -3.576 -4.623 2.412 1.00 0.00 H new ATOM 0 HA THR A 17 -3.298 -7.533 2.802 1.00 0.00 H new ATOM 0 HB THR A 17 -1.087 -7.241 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.105 -4.659 0.894 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.009 -7.007 -0.627 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.041 -8.031 0.399 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.516 -6.351 0.056 1.00 0.00 H new ATOM 243 N GLU A 18 -1.802 -7.320 4.774 1.00 0.00 N ATOM 244 CA GLU A 18 -1.012 -7.196 5.993 1.00 0.00 C ATOM 245 C GLU A 18 0.381 -7.789 5.802 1.00 0.00 C ATOM 246 O GLU A 18 0.534 -9.000 5.648 1.00 0.00 O ATOM 247 CB GLU A 18 -1.719 -7.892 7.158 1.00 0.00 C ATOM 248 CG GLU A 18 -1.426 -7.264 8.511 1.00 0.00 C ATOM 249 CD GLU A 18 -2.351 -7.769 9.601 1.00 0.00 C ATOM 250 OE1 GLU A 18 -3.522 -7.336 9.634 1.00 0.00 O ATOM 251 OE2 GLU A 18 -1.904 -8.597 10.422 1.00 0.00 O ATOM 0 H GLU A 18 -2.198 -8.247 4.620 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.908 -6.135 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.795 -7.872 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.419 -8.940 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.393 -7.475 8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.520 -6.181 8.433 1.00 0.00 H new ATOM 258 N GLU A 19 1.392 -6.926 5.813 1.00 0.00 N ATOM 259 CA GLU A 19 2.772 -7.365 5.639 1.00 0.00 C ATOM 260 C GLU A 19 3.102 -8.511 6.592 1.00 0.00 C ATOM 261 O GLU A 19 2.695 -8.504 7.754 1.00 0.00 O ATOM 262 CB GLU A 19 3.734 -6.199 5.873 1.00 0.00 C ATOM 263 CG GLU A 19 5.137 -6.454 5.349 1.00 0.00 C ATOM 264 CD GLU A 19 6.060 -5.267 5.550 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.691 -4.150 5.131 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.150 -5.456 6.129 1.00 0.00 O ATOM 0 H GLU A 19 1.282 -5.920 5.940 1.00 0.00 H new ATOM 0 HA GLU A 19 2.887 -7.722 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.333 -5.306 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.786 -5.991 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.556 -7.325 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.086 -6.694 4.287 1.00 0.00 H new ATOM 273 N LEU A 20 3.842 -9.494 6.091 1.00 0.00 N ATOM 274 CA LEU A 20 4.228 -10.648 6.896 1.00 0.00 C ATOM 275 C LEU A 20 5.695 -10.560 7.305 1.00 0.00 C ATOM 276 O LEU A 20 6.542 -10.117 6.529 1.00 0.00 O ATOM 277 CB LEU A 20 3.979 -11.942 6.119 1.00 0.00 C ATOM 278 CG LEU A 20 2.595 -12.090 5.486 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.521 -13.362 4.656 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.515 -12.086 6.558 1.00 0.00 C ATOM 0 H LEU A 20 4.187 -9.515 5.131 1.00 0.00 H new ATOM 0 HA LEU A 20 3.618 -10.651 7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.727 -12.018 5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.140 -12.783 6.793 1.00 0.00 H new ATOM 0 HG LEU A 20 2.426 -11.240 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.529 -13.450 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.269 -13.324 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.712 -14.225 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.537 -12.192 6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.681 -12.916 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.553 -11.146 7.109 1.00 0.00 H new ATOM 292 N LYS A 21 5.989 -10.987 8.528 1.00 0.00 N ATOM 293 CA LYS A 21 7.354 -10.961 9.041 1.00 0.00 C ATOM 294 C LYS A 21 8.328 -11.546 8.023 1.00 0.00 C ATOM 295 O LYS A 21 9.468 -11.095 7.910 1.00 0.00 O ATOM 296 CB LYS A 21 7.442 -11.742 10.354 1.00 0.00 C ATOM 297 CG LYS A 21 6.797 -11.029 11.530 1.00 0.00 C ATOM 298 CD LYS A 21 7.586 -9.794 11.934 1.00 0.00 C ATOM 299 CE LYS A 21 7.004 -9.145 13.181 1.00 0.00 C ATOM 300 NZ LYS A 21 7.468 -9.819 14.425 1.00 0.00 N ATOM 0 H LYS A 21 5.300 -11.356 9.183 1.00 0.00 H new ATOM 0 HA LYS A 21 7.627 -9.922 9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.964 -12.713 10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.490 -11.931 10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.779 -10.742 11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.728 -11.711 12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.625 -10.068 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.585 -9.076 11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.289 -8.093 13.210 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.916 -9.179 13.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.049 -9.347 15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.174 -10.817 14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.505 -9.764 14.483 1.00 0.00 H new ATOM 314 N VAL A 22 7.872 -12.552 7.283 1.00 0.00 N ATOM 315 CA VAL A 22 8.702 -13.196 6.273 1.00 0.00 C ATOM 316 C VAL A 22 7.847 -13.873 5.208 1.00 0.00 C ATOM 317 O VAL A 22 6.944 -14.648 5.523 1.00 0.00 O ATOM 318 CB VAL A 22 9.641 -14.242 6.903 1.00 0.00 C ATOM 319 CG1 VAL A 22 8.838 -15.342 7.581 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.573 -14.824 5.850 1.00 0.00 C ATOM 0 H VAL A 22 6.932 -12.938 7.365 1.00 0.00 H new ATOM 0 HA VAL A 22 9.301 -12.412 5.809 1.00 0.00 H new ATOM 0 HB VAL A 22 10.249 -13.748 7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.519 -16.071 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.216 -14.908 8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.203 -15.835 6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.229 -15.561 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.984 -15.303 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.174 -14.026 5.415 1.00 0.00 H new ATOM 330 N ALA A 23 8.138 -13.575 3.946 1.00 0.00 N ATOM 331 CA ALA A 23 7.397 -14.156 2.834 1.00 0.00 C ATOM 332 C ALA A 23 7.080 -15.625 3.093 1.00 0.00 C ATOM 333 O ALA A 23 7.961 -16.431 3.394 1.00 0.00 O ATOM 334 CB ALA A 23 8.182 -14.004 1.540 1.00 0.00 C ATOM 0 H ALA A 23 8.882 -12.935 3.669 1.00 0.00 H new ATOM 0 HA ALA A 23 6.453 -13.619 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.617 -14.442 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.352 -12.946 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.141 -14.514 1.634 1.00 0.00 H new ATOM 340 N PRO A 24 5.793 -15.984 2.975 1.00 0.00 N ATOM 341 CA PRO A 24 5.331 -17.358 3.193 1.00 0.00 C ATOM 342 C PRO A 24 5.798 -18.307 2.095 1.00 0.00 C ATOM 343 O PRO A 24 6.674 -17.968 1.300 1.00 0.00 O ATOM 344 CB PRO A 24 3.806 -17.226 3.174 1.00 0.00 C ATOM 345 CG PRO A 24 3.541 -16.009 2.357 1.00 0.00 C ATOM 346 CD PRO A 24 4.690 -15.075 2.620 1.00 0.00 C ATOM 0 HA PRO A 24 5.724 -17.779 4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.338 -18.107 2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.405 -17.121 4.182 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.474 -16.257 1.298 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.593 -15.550 2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.930 -14.476 1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.466 -14.380 3.429 1.00 0.00 H new ATOM 354 N GLU A 25 5.206 -19.497 2.057 1.00 0.00 N ATOM 355 CA GLU A 25 5.563 -20.495 1.056 1.00 0.00 C ATOM 356 C GLU A 25 4.653 -20.391 -0.165 1.00 0.00 C ATOM 357 O GLU A 25 4.377 -21.387 -0.833 1.00 0.00 O ATOM 358 CB GLU A 25 5.476 -21.902 1.652 1.00 0.00 C ATOM 359 CG GLU A 25 4.055 -22.350 1.949 1.00 0.00 C ATOM 360 CD GLU A 25 3.995 -23.446 2.995 1.00 0.00 C ATOM 361 OE1 GLU A 25 4.377 -24.592 2.675 1.00 0.00 O ATOM 362 OE2 GLU A 25 3.567 -23.160 4.132 1.00 0.00 O ATOM 0 H GLU A 25 4.478 -19.793 2.707 1.00 0.00 H new ATOM 0 HA GLU A 25 6.589 -20.305 0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.934 -22.609 0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.058 -21.934 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.472 -21.495 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.590 -22.705 1.029 1.00 0.00 H new ATOM 369 N GLU A 26 4.189 -19.178 -0.448 1.00 0.00 N ATOM 370 CA GLU A 26 3.309 -18.943 -1.587 1.00 0.00 C ATOM 371 C GLU A 26 4.097 -18.424 -2.786 1.00 0.00 C ATOM 372 O GLU A 26 5.314 -18.250 -2.714 1.00 0.00 O ATOM 373 CB GLU A 26 2.210 -17.946 -1.214 1.00 0.00 C ATOM 374 CG GLU A 26 0.974 -18.597 -0.616 1.00 0.00 C ATOM 375 CD GLU A 26 0.135 -19.317 -1.653 1.00 0.00 C ATOM 376 OE1 GLU A 26 0.692 -19.703 -2.702 1.00 0.00 O ATOM 377 OE2 GLU A 26 -1.079 -19.493 -1.417 1.00 0.00 O ATOM 0 H GLU A 26 4.408 -18.343 0.096 1.00 0.00 H new ATOM 0 HA GLU A 26 2.850 -19.893 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.612 -17.226 -0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.921 -17.387 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.278 -19.305 0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.367 -17.835 -0.128 1.00 0.00 H new ATOM 384 N ASP A 27 3.395 -18.179 -3.886 1.00 0.00 N ATOM 385 CA ASP A 27 4.028 -17.679 -5.102 1.00 0.00 C ATOM 386 C ASP A 27 3.167 -16.606 -5.760 1.00 0.00 C ATOM 387 O ASP A 27 1.977 -16.812 -6.003 1.00 0.00 O ATOM 388 CB ASP A 27 4.274 -18.826 -6.083 1.00 0.00 C ATOM 389 CG ASP A 27 4.647 -20.118 -5.382 1.00 0.00 C ATOM 390 OD1 ASP A 27 3.739 -20.784 -4.844 1.00 0.00 O ATOM 391 OD2 ASP A 27 5.848 -20.461 -5.370 1.00 0.00 O ATOM 0 H ASP A 27 2.387 -18.318 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 27 4.985 -17.234 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.377 -18.987 -6.682 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.071 -18.546 -6.772 1.00 0.00 H new ATOM 396 N CYS A 28 3.776 -15.460 -6.046 1.00 0.00 N ATOM 397 CA CYS A 28 3.066 -14.353 -6.676 1.00 0.00 C ATOM 398 C CYS A 28 2.819 -14.635 -8.155 1.00 0.00 C ATOM 399 O CYS A 28 3.742 -14.984 -8.893 1.00 0.00 O ATOM 400 CB CYS A 28 3.860 -13.055 -6.518 1.00 0.00 C ATOM 401 SG CYS A 28 3.199 -11.657 -7.481 1.00 0.00 S ATOM 0 H CYS A 28 4.760 -15.274 -5.851 1.00 0.00 H new ATOM 0 HA CYS A 28 2.102 -14.244 -6.180 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.879 -12.779 -5.464 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.892 -13.234 -6.819 1.00 0.00 H new ATOM 0 HG CYS A 28 2.874 -10.690 -6.675 1.00 0.00 H new ATOM 406 N ILE A 29 1.570 -14.482 -8.580 1.00 0.00 N ATOM 407 CA ILE A 29 1.203 -14.719 -9.971 1.00 0.00 C ATOM 408 C ILE A 29 1.305 -13.438 -10.792 1.00 0.00 C ATOM 409 O ILE A 29 1.580 -13.479 -11.992 1.00 0.00 O ATOM 410 CB ILE A 29 -0.228 -15.278 -10.088 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.225 -14.331 -9.417 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.307 -16.665 -9.468 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.642 -14.489 -9.923 1.00 0.00 C ATOM 0 H ILE A 29 0.795 -14.195 -7.982 1.00 0.00 H new ATOM 0 HA ILE A 29 1.905 -15.455 -10.362 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.486 -15.358 -11.144 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.211 -14.504 -8.341 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.902 -13.302 -9.579 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.324 -17.047 -9.558 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.379 -17.335 -9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.033 -16.609 -8.415 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.294 -13.787 -9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.671 -14.287 -10.994 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.984 -15.507 -9.737 1.00 0.00 H new ATOM 425 N ILE A 30 1.083 -12.303 -10.138 1.00 0.00 N ATOM 426 CA ILE A 30 1.153 -11.010 -10.808 1.00 0.00 C ATOM 427 C ILE A 30 2.448 -10.872 -11.602 1.00 0.00 C ATOM 428 O ILE A 30 2.460 -10.309 -12.697 1.00 0.00 O ATOM 429 CB ILE A 30 1.056 -9.849 -9.801 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.317 -9.844 -9.126 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.314 -8.521 -10.497 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.457 -8.793 -8.047 1.00 0.00 C ATOM 0 H ILE A 30 0.853 -12.252 -9.146 1.00 0.00 H new ATOM 0 HA ILE A 30 0.304 -10.961 -11.490 1.00 0.00 H new ATOM 0 HB ILE A 30 1.817 -9.989 -9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.084 -9.680 -9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.503 -10.826 -8.691 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.242 -7.710 -9.772 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.312 -8.528 -10.936 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.573 -8.372 -11.283 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.455 -8.848 -7.613 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.287 -8.968 -7.270 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.304 -7.804 -8.480 1.00 0.00 H new ATOM 444 N CYS A 31 3.536 -11.391 -11.044 1.00 0.00 N ATOM 445 CA CYS A 31 4.837 -11.328 -11.700 1.00 0.00 C ATOM 446 C CYS A 31 5.420 -12.725 -11.887 1.00 0.00 C ATOM 447 O CYS A 31 6.473 -12.892 -12.502 1.00 0.00 O ATOM 448 CB CYS A 31 5.801 -10.465 -10.884 1.00 0.00 C ATOM 449 SG CYS A 31 6.272 -11.190 -9.280 1.00 0.00 S ATOM 0 H CYS A 31 3.543 -11.860 -10.138 1.00 0.00 H new ATOM 0 HA CYS A 31 4.700 -10.877 -12.683 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.703 -10.292 -11.471 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.342 -9.492 -10.710 1.00 0.00 H new ATOM 0 HG CYS A 31 5.205 -11.389 -8.564 1.00 0.00 H new ATOM 454 N MET A 32 4.728 -13.726 -11.352 1.00 0.00 N ATOM 455 CA MET A 32 5.177 -15.109 -11.461 1.00 0.00 C ATOM 456 C MET A 32 6.558 -15.284 -10.837 1.00 0.00 C ATOM 457 O MET A 32 7.462 -15.843 -11.457 1.00 0.00 O ATOM 458 CB MET A 32 5.209 -15.543 -12.928 1.00 0.00 C ATOM 459 CG MET A 32 3.840 -15.555 -13.588 1.00 0.00 C ATOM 460 SD MET A 32 2.643 -16.560 -12.688 1.00 0.00 S ATOM 461 CE MET A 32 2.793 -18.121 -13.554 1.00 0.00 C ATOM 0 H MET A 32 3.855 -13.605 -10.839 1.00 0.00 H new ATOM 0 HA MET A 32 4.471 -15.737 -10.918 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.865 -14.872 -13.483 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.644 -16.540 -12.994 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.468 -14.533 -13.662 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.935 -15.934 -14.605 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.113 -18.849 -13.112 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.541 -17.980 -14.605 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.817 -18.485 -13.472 1.00 0.00 H new ATOM 471 N GLU A 33 6.712 -14.801 -9.608 1.00 0.00 N ATOM 472 CA GLU A 33 7.984 -14.903 -8.902 1.00 0.00 C ATOM 473 C GLU A 33 7.769 -15.330 -7.453 1.00 0.00 C ATOM 474 O GLU A 33 6.691 -15.138 -6.891 1.00 0.00 O ATOM 475 CB GLU A 33 8.727 -13.566 -8.947 1.00 0.00 C ATOM 476 CG GLU A 33 9.019 -13.079 -10.356 1.00 0.00 C ATOM 477 CD GLU A 33 10.204 -12.134 -10.413 1.00 0.00 C ATOM 478 OE1 GLU A 33 10.232 -11.170 -9.620 1.00 0.00 O ATOM 479 OE2 GLU A 33 11.102 -12.359 -11.251 1.00 0.00 O ATOM 0 H GLU A 33 5.973 -14.336 -9.081 1.00 0.00 H new ATOM 0 HA GLU A 33 8.587 -15.662 -9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.135 -12.813 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.667 -13.664 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.212 -13.937 -11.000 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.138 -12.575 -10.752 1.00 0.00 H new ATOM 486 N LYS A 34 8.803 -15.911 -6.854 1.00 0.00 N ATOM 487 CA LYS A 34 8.730 -16.365 -5.470 1.00 0.00 C ATOM 488 C LYS A 34 8.634 -15.181 -4.513 1.00 0.00 C ATOM 489 O LYS A 34 9.316 -14.171 -4.689 1.00 0.00 O ATOM 490 CB LYS A 34 9.956 -17.214 -5.126 1.00 0.00 C ATOM 491 CG LYS A 34 9.928 -18.601 -5.744 1.00 0.00 C ATOM 492 CD LYS A 34 10.654 -18.632 -7.078 1.00 0.00 C ATOM 493 CE LYS A 34 10.051 -19.665 -8.018 1.00 0.00 C ATOM 494 NZ LYS A 34 10.451 -21.051 -7.648 1.00 0.00 N ATOM 0 H LYS A 34 9.702 -16.079 -7.306 1.00 0.00 H new ATOM 0 HA LYS A 34 7.832 -16.972 -5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.853 -16.694 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.029 -17.309 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.390 -19.314 -5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.894 -18.917 -5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.608 -17.646 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.708 -18.859 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.964 -19.583 -7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.368 -19.456 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.020 -21.726 -8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.487 -21.137 -7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.126 -21.260 -6.682 1.00 0.00 H new ATOM 508 N LEU A 35 7.784 -15.312 -3.501 1.00 0.00 N ATOM 509 CA LEU A 35 7.599 -14.253 -2.515 1.00 0.00 C ATOM 510 C LEU A 35 8.894 -13.987 -1.753 1.00 0.00 C ATOM 511 O LEU A 35 9.110 -12.888 -1.244 1.00 0.00 O ATOM 512 CB LEU A 35 6.486 -14.631 -1.535 1.00 0.00 C ATOM 513 CG LEU A 35 5.076 -14.714 -2.121 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.158 -15.495 -1.193 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.521 -13.321 -2.376 1.00 0.00 C ATOM 0 H LEU A 35 7.212 -16.141 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 35 7.316 -13.343 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.731 -15.596 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.479 -13.901 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 35 5.129 -15.241 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.159 -15.544 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.547 -16.505 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.110 -14.997 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.517 -13.400 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.482 -12.768 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.166 -12.796 -3.080 1.00 0.00 H new ATOM 527 N ALA A 36 9.752 -14.999 -1.682 1.00 0.00 N ATOM 528 CA ALA A 36 11.027 -14.873 -0.988 1.00 0.00 C ATOM 529 C ALA A 36 11.977 -13.954 -1.748 1.00 0.00 C ATOM 530 O ALA A 36 12.798 -13.260 -1.148 1.00 0.00 O ATOM 531 CB ALA A 36 11.658 -16.243 -0.790 1.00 0.00 C ATOM 0 H ALA A 36 9.587 -15.916 -2.097 1.00 0.00 H new ATOM 0 HA ALA A 36 10.839 -14.428 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.610 -16.133 -0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.991 -16.869 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.826 -16.710 -1.761 1.00 0.00 H new ATOM 537 N VAL A 37 11.862 -13.956 -3.072 1.00 0.00 N ATOM 538 CA VAL A 37 12.712 -13.123 -3.914 1.00 0.00 C ATOM 539 C VAL A 37 12.077 -11.758 -4.156 1.00 0.00 C ATOM 540 O VAL A 37 10.921 -11.529 -3.801 1.00 0.00 O ATOM 541 CB VAL A 37 12.989 -13.795 -5.272 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.540 -15.198 -5.071 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.725 -13.827 -6.118 1.00 0.00 C ATOM 0 H VAL A 37 11.189 -14.525 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 37 13.654 -12.994 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 37 13.739 -13.208 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.730 -15.657 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.471 -15.146 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.815 -15.798 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.939 -14.305 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.952 -14.390 -5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.377 -12.809 -6.291 1.00 0.00 H new ATOM 553 N ALA A 38 12.840 -10.855 -4.762 1.00 0.00 N ATOM 554 CA ALA A 38 12.352 -9.513 -5.053 1.00 0.00 C ATOM 555 C ALA A 38 11.165 -9.557 -6.009 1.00 0.00 C ATOM 556 O ALA A 38 10.920 -10.570 -6.664 1.00 0.00 O ATOM 557 CB ALA A 38 13.469 -8.659 -5.634 1.00 0.00 C ATOM 0 H ALA A 38 13.800 -11.029 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 38 12.016 -9.064 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.090 -7.659 -5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.287 -8.592 -4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.832 -9.113 -6.556 1.00 0.00 H new ATOM 563 N SER A 39 10.430 -8.452 -6.084 1.00 0.00 N ATOM 564 CA SER A 39 9.265 -8.366 -6.957 1.00 0.00 C ATOM 565 C SER A 39 9.688 -8.128 -8.404 1.00 0.00 C ATOM 566 O SER A 39 10.767 -7.600 -8.669 1.00 0.00 O ATOM 567 CB SER A 39 8.336 -7.242 -6.494 1.00 0.00 C ATOM 568 OG SER A 39 7.314 -7.000 -7.446 1.00 0.00 O ATOM 0 H SER A 39 10.621 -7.604 -5.551 1.00 0.00 H new ATOM 0 HA SER A 39 8.730 -9.314 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.889 -7.507 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.913 -6.331 -6.336 1.00 0.00 H new ATOM 0 HG SER A 39 6.884 -7.847 -7.687 1.00 0.00 H new ATOM 574 N GLY A 40 8.827 -8.522 -9.338 1.00 0.00 N ATOM 575 CA GLY A 40 9.127 -8.344 -10.746 1.00 0.00 C ATOM 576 C GLY A 40 8.906 -6.918 -11.211 1.00 0.00 C ATOM 577 O GLY A 40 9.596 -6.437 -12.110 1.00 0.00 O ATOM 0 H GLY A 40 7.927 -8.961 -9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.163 -8.627 -10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.502 -9.016 -11.335 1.00 0.00 H new ATOM 581 N TYR A 41 7.942 -6.241 -10.598 1.00 0.00 N ATOM 582 CA TYR A 41 7.629 -4.863 -10.957 1.00 0.00 C ATOM 583 C TYR A 41 8.641 -3.898 -10.347 1.00 0.00 C ATOM 584 O TYR A 41 8.720 -2.733 -10.738 1.00 0.00 O ATOM 585 CB TYR A 41 6.218 -4.500 -10.492 1.00 0.00 C ATOM 586 CG TYR A 41 5.125 -5.182 -11.284 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.959 -6.560 -11.233 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.259 -4.447 -12.084 1.00 0.00 C ATOM 589 CE1 TYR A 41 3.963 -7.187 -11.956 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.258 -5.065 -12.809 1.00 0.00 C ATOM 591 CZ TYR A 41 3.115 -6.435 -12.743 1.00 0.00 C ATOM 592 OH TYR A 41 2.120 -7.056 -13.463 1.00 0.00 O ATOM 0 H TYR A 41 7.364 -6.624 -9.850 1.00 0.00 H new ATOM 0 HA TYR A 41 7.680 -4.777 -12.042 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.112 -4.765 -9.440 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.087 -3.420 -10.564 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.620 -7.152 -10.617 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.370 -3.374 -12.140 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.849 -8.260 -11.906 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.591 -4.478 -13.424 1.00 0.00 H new ATOM 0 HH TYR A 41 2.118 -8.015 -13.259 1.00 0.00 H new ATOM 602 N SER A 42 9.415 -4.392 -9.385 1.00 0.00 N ATOM 603 CA SER A 42 10.420 -3.574 -8.717 1.00 0.00 C ATOM 604 C SER A 42 11.071 -2.604 -9.699 1.00 0.00 C ATOM 605 O SER A 42 11.380 -1.465 -9.350 1.00 0.00 O ATOM 606 CB SER A 42 11.488 -4.463 -8.077 1.00 0.00 C ATOM 607 OG SER A 42 12.396 -4.951 -9.050 1.00 0.00 O ATOM 0 H SER A 42 9.365 -5.355 -9.051 1.00 0.00 H new ATOM 0 HA SER A 42 9.923 -2.996 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.031 -3.897 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.011 -5.300 -7.568 1.00 0.00 H new ATOM 0 HG SER A 42 12.197 -5.892 -9.240 1.00 0.00 H new ATOM 613 N ASP A 43 11.276 -3.065 -10.928 1.00 0.00 N ATOM 614 CA ASP A 43 11.889 -2.239 -11.962 1.00 0.00 C ATOM 615 C ASP A 43 10.929 -1.149 -12.427 1.00 0.00 C ATOM 616 O ASP A 43 11.272 0.033 -12.433 1.00 0.00 O ATOM 617 CB ASP A 43 12.313 -3.104 -13.150 1.00 0.00 C ATOM 618 CG ASP A 43 13.515 -3.972 -12.834 1.00 0.00 C ATOM 619 OD1 ASP A 43 14.258 -3.637 -11.888 1.00 0.00 O ATOM 620 OD2 ASP A 43 13.712 -4.988 -13.533 1.00 0.00 O ATOM 0 H ASP A 43 11.027 -4.006 -11.233 1.00 0.00 H new ATOM 0 HA ASP A 43 12.772 -1.762 -11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.479 -3.739 -13.450 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.546 -2.461 -13.999 1.00 0.00 H new ATOM 625 N MET A 44 9.725 -1.555 -12.816 1.00 0.00 N ATOM 626 CA MET A 44 8.715 -0.612 -13.283 1.00 0.00 C ATOM 627 C MET A 44 8.312 0.349 -12.169 1.00 0.00 C ATOM 628 O MET A 44 8.442 1.566 -12.308 1.00 0.00 O ATOM 629 CB MET A 44 7.483 -1.362 -13.795 1.00 0.00 C ATOM 630 CG MET A 44 6.357 -0.446 -14.244 1.00 0.00 C ATOM 631 SD MET A 44 4.835 -1.343 -14.607 1.00 0.00 S ATOM 632 CE MET A 44 3.661 -0.437 -13.603 1.00 0.00 C ATOM 0 H MET A 44 9.425 -2.530 -12.817 1.00 0.00 H new ATOM 0 HA MET A 44 9.145 -0.034 -14.101 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.776 -1.999 -14.629 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.114 -2.018 -13.007 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.162 0.292 -13.466 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.672 0.102 -15.132 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.669 -0.873 -13.720 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.960 -0.491 -12.556 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.639 0.605 -13.921 1.00 0.00 H new ATOM 642 N THR A 45 7.824 -0.204 -11.064 1.00 0.00 N ATOM 643 CA THR A 45 7.401 0.604 -9.927 1.00 0.00 C ATOM 644 C THR A 45 8.602 1.124 -9.145 1.00 0.00 C ATOM 645 O THR A 45 9.101 0.457 -8.239 1.00 0.00 O ATOM 646 CB THR A 45 6.491 -0.196 -8.976 1.00 0.00 C ATOM 647 OG1 THR A 45 7.050 -1.493 -8.739 1.00 0.00 O ATOM 648 CG2 THR A 45 5.093 -0.339 -9.558 1.00 0.00 C ATOM 0 H THR A 45 7.712 -1.209 -10.932 1.00 0.00 H new ATOM 0 HA THR A 45 6.840 1.447 -10.330 1.00 0.00 H new ATOM 0 HB THR A 45 6.421 0.347 -8.033 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.992 -1.402 -8.484 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.468 -0.907 -8.869 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.659 0.649 -9.710 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.148 -0.862 -10.513 1.00 0.00 H new ATOM 656 N ASP A 46 9.061 2.319 -9.501 1.00 0.00 N ATOM 657 CA ASP A 46 10.204 2.929 -8.831 1.00 0.00 C ATOM 658 C ASP A 46 9.768 3.640 -7.553 1.00 0.00 C ATOM 659 O ASP A 46 10.244 4.733 -7.246 1.00 0.00 O ATOM 660 CB ASP A 46 10.902 3.917 -9.766 1.00 0.00 C ATOM 661 CG ASP A 46 12.234 4.391 -9.218 1.00 0.00 C ATOM 662 OD1 ASP A 46 12.975 3.557 -8.656 1.00 0.00 O ATOM 663 OD2 ASP A 46 12.536 5.595 -9.351 1.00 0.00 O ATOM 0 H ASP A 46 8.659 2.884 -10.249 1.00 0.00 H new ATOM 0 HA ASP A 46 10.904 2.137 -8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.059 3.446 -10.736 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.253 4.777 -9.931 1.00 0.00 H new ATOM 668 N SER A 47 8.860 3.013 -6.813 1.00 0.00 N ATOM 669 CA SER A 47 8.356 3.588 -5.571 1.00 0.00 C ATOM 670 C SER A 47 9.243 3.198 -4.393 1.00 0.00 C ATOM 671 O SER A 47 9.656 2.045 -4.266 1.00 0.00 O ATOM 672 CB SER A 47 6.920 3.126 -5.317 1.00 0.00 C ATOM 673 OG SER A 47 5.987 4.009 -5.917 1.00 0.00 O ATOM 0 H SER A 47 8.458 2.106 -7.052 1.00 0.00 H new ATOM 0 HA SER A 47 8.369 4.673 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.782 2.121 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.736 3.072 -4.244 1.00 0.00 H new ATOM 0 HG SER A 47 5.077 3.691 -5.742 1.00 0.00 H new ATOM 679 N LYS A 48 9.534 4.168 -3.533 1.00 0.00 N ATOM 680 CA LYS A 48 10.371 3.929 -2.364 1.00 0.00 C ATOM 681 C LYS A 48 9.538 3.418 -1.193 1.00 0.00 C ATOM 682 O LYS A 48 9.894 2.431 -0.550 1.00 0.00 O ATOM 683 CB LYS A 48 11.100 5.213 -1.962 1.00 0.00 C ATOM 684 CG LYS A 48 12.184 5.630 -2.941 1.00 0.00 C ATOM 685 CD LYS A 48 13.476 4.867 -2.701 1.00 0.00 C ATOM 686 CE LYS A 48 14.361 5.575 -1.687 1.00 0.00 C ATOM 687 NZ LYS A 48 15.711 4.952 -1.599 1.00 0.00 N ATOM 0 H LYS A 48 9.202 5.128 -3.624 1.00 0.00 H new ATOM 0 HA LYS A 48 11.106 3.167 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.373 6.020 -1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.546 5.074 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.841 5.455 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.369 6.700 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.246 3.862 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.015 4.757 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.463 6.624 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.884 5.548 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.284 5.463 -0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.616 3.957 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.177 5.000 -2.528 1.00 0.00 H new ATOM 701 N ALA A 49 8.426 4.095 -0.924 1.00 0.00 N ATOM 702 CA ALA A 49 7.541 3.706 0.167 1.00 0.00 C ATOM 703 C ALA A 49 7.485 2.190 0.316 1.00 0.00 C ATOM 704 O ALA A 49 7.740 1.652 1.394 1.00 0.00 O ATOM 705 CB ALA A 49 6.145 4.267 -0.061 1.00 0.00 C ATOM 0 H ALA A 49 8.117 4.915 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 49 7.942 4.121 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.494 3.969 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.193 5.355 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.746 3.880 -0.998 1.00 0.00 H new ATOM 711 N LEU A 50 7.150 1.505 -0.772 1.00 0.00 N ATOM 712 CA LEU A 50 7.061 0.049 -0.763 1.00 0.00 C ATOM 713 C LEU A 50 8.349 -0.579 -1.286 1.00 0.00 C ATOM 714 O LEU A 50 9.106 0.053 -2.021 1.00 0.00 O ATOM 715 CB LEU A 50 5.874 -0.414 -1.609 1.00 0.00 C ATOM 716 CG LEU A 50 4.487 -0.124 -1.035 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.429 -0.213 -2.124 1.00 0.00 C ATOM 718 CD2 LEU A 50 4.168 -1.084 0.101 1.00 0.00 C ATOM 0 H LEU A 50 6.935 1.935 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 50 6.913 -0.275 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.946 0.058 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.963 -1.489 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 50 4.485 0.891 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.448 -0.004 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.648 0.516 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.431 -1.215 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.177 -0.862 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.189 -2.108 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.909 -0.970 0.892 1.00 0.00 H new ATOM 730 N GLY A 51 8.590 -1.829 -0.902 1.00 0.00 N ATOM 731 CA GLY A 51 9.786 -2.523 -1.344 1.00 0.00 C ATOM 732 C GLY A 51 9.470 -3.752 -2.173 1.00 0.00 C ATOM 733 O GLY A 51 8.384 -4.324 -2.085 1.00 0.00 O ATOM 0 H GLY A 51 7.979 -2.373 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.402 -1.841 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.374 -2.816 -0.475 1.00 0.00 H new ATOM 737 N PRO A 52 10.436 -4.175 -3.003 1.00 0.00 N ATOM 738 CA PRO A 52 10.278 -5.347 -3.868 1.00 0.00 C ATOM 739 C PRO A 52 10.250 -6.651 -3.078 1.00 0.00 C ATOM 740 O PRO A 52 9.502 -7.571 -3.407 1.00 0.00 O ATOM 741 CB PRO A 52 11.516 -5.293 -4.767 1.00 0.00 C ATOM 742 CG PRO A 52 12.528 -4.542 -3.974 1.00 0.00 C ATOM 743 CD PRO A 52 11.756 -3.541 -3.159 1.00 0.00 C ATOM 0 HA PRO A 52 9.335 -5.326 -4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.870 -6.294 -5.014 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.299 -4.790 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 52 13.096 -5.214 -3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.244 -4.044 -4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.230 -3.357 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.683 -2.580 -3.667 1.00 0.00 H new ATOM 751 N MET A 53 11.070 -6.724 -2.035 1.00 0.00 N ATOM 752 CA MET A 53 11.137 -7.915 -1.197 1.00 0.00 C ATOM 753 C MET A 53 9.938 -7.987 -0.257 1.00 0.00 C ATOM 754 O MET A 53 9.486 -9.073 0.106 1.00 0.00 O ATOM 755 CB MET A 53 12.436 -7.924 -0.388 1.00 0.00 C ATOM 756 CG MET A 53 13.684 -7.762 -1.241 1.00 0.00 C ATOM 757 SD MET A 53 13.945 -9.151 -2.361 1.00 0.00 S ATOM 758 CE MET A 53 14.729 -10.329 -1.263 1.00 0.00 C ATOM 0 H MET A 53 11.698 -5.972 -1.750 1.00 0.00 H new ATOM 0 HA MET A 53 11.118 -8.788 -1.849 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.402 -7.120 0.348 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.503 -8.861 0.166 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.606 -6.842 -1.821 1.00 0.00 H new ATOM 0 HG3 MET A 53 14.553 -7.656 -0.591 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.953 -11.244 -1.811 1.00 0.00 H new ATOM 0 HE2 MET A 53 15.654 -9.904 -0.874 1.00 0.00 H new ATOM 0 HE3 MET A 53 14.058 -10.557 -0.435 1.00 0.00 H new ATOM 768 N VAL A 54 9.428 -6.824 0.134 1.00 0.00 N ATOM 769 CA VAL A 54 8.281 -6.755 1.032 1.00 0.00 C ATOM 770 C VAL A 54 7.136 -7.625 0.527 1.00 0.00 C ATOM 771 O VAL A 54 6.833 -7.642 -0.666 1.00 0.00 O ATOM 772 CB VAL A 54 7.780 -5.307 1.192 1.00 0.00 C ATOM 773 CG1 VAL A 54 6.628 -5.248 2.184 1.00 0.00 C ATOM 774 CG2 VAL A 54 8.917 -4.395 1.627 1.00 0.00 C ATOM 0 H VAL A 54 9.791 -5.916 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 54 8.614 -7.125 2.002 1.00 0.00 H new ATOM 0 HB VAL A 54 7.415 -4.958 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.287 -4.218 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.807 -5.869 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.964 -5.615 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.545 -3.376 1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.315 -4.739 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.707 -4.415 0.876 1.00 0.00 H new ATOM 784 N VAL A 55 6.500 -8.347 1.444 1.00 0.00 N ATOM 785 CA VAL A 55 5.385 -9.219 1.093 1.00 0.00 C ATOM 786 C VAL A 55 4.299 -9.180 2.161 1.00 0.00 C ATOM 787 O VAL A 55 4.587 -9.057 3.351 1.00 0.00 O ATOM 788 CB VAL A 55 5.850 -10.675 0.903 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.695 -11.549 0.438 1.00 0.00 C ATOM 790 CG2 VAL A 55 7.009 -10.740 -0.081 1.00 0.00 C ATOM 0 H VAL A 55 6.738 -8.345 2.436 1.00 0.00 H new ATOM 0 HA VAL A 55 4.978 -8.849 0.152 1.00 0.00 H new ATOM 0 HB VAL A 55 6.197 -11.055 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.043 -12.574 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.899 -11.527 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.314 -11.173 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.325 -11.776 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.691 -10.341 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.842 -10.149 0.299 1.00 0.00 H new ATOM 800 N GLY A 56 3.046 -9.285 1.728 1.00 0.00 N ATOM 801 CA GLY A 56 1.934 -9.260 2.660 1.00 0.00 C ATOM 802 C GLY A 56 0.747 -10.063 2.168 1.00 0.00 C ATOM 803 O GLY A 56 0.552 -10.221 0.963 1.00 0.00 O ATOM 0 H GLY A 56 2.781 -9.387 0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.261 -9.654 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.626 -8.228 2.826 1.00 0.00 H new ATOM 807 N ARG A 57 -0.048 -10.574 3.103 1.00 0.00 N ATOM 808 CA ARG A 57 -1.221 -11.368 2.758 1.00 0.00 C ATOM 809 C ARG A 57 -2.502 -10.567 2.969 1.00 0.00 C ATOM 810 O ARG A 57 -2.635 -9.836 3.952 1.00 0.00 O ATOM 811 CB ARG A 57 -1.263 -12.647 3.597 1.00 0.00 C ATOM 812 CG ARG A 57 -0.545 -13.822 2.953 1.00 0.00 C ATOM 813 CD ARG A 57 -0.743 -15.101 3.752 1.00 0.00 C ATOM 814 NE ARG A 57 -0.343 -14.942 5.147 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.009 -15.957 5.936 1.00 0.00 C ATOM 816 NH1 ARG A 57 -0.026 -17.197 5.469 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.343 -15.732 7.196 1.00 0.00 N ATOM 0 H ARG A 57 0.099 -10.452 4.105 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.150 -11.635 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.815 -12.448 4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.303 -12.921 3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.916 -13.965 1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.520 -13.601 2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.791 -15.398 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.164 -15.905 3.298 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.319 -14.000 5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.296 -17.374 4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.231 -17.975 6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.357 -14.779 7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.599 -16.512 7.801 1.00 0.00 H new ATOM 831 N LEU A 58 -3.441 -10.707 2.040 1.00 0.00 N ATOM 832 CA LEU A 58 -4.712 -9.995 2.124 1.00 0.00 C ATOM 833 C LEU A 58 -5.432 -10.318 3.429 1.00 0.00 C ATOM 834 O LEU A 58 -5.067 -11.257 4.137 1.00 0.00 O ATOM 835 CB LEU A 58 -5.602 -10.360 0.934 1.00 0.00 C ATOM 836 CG LEU A 58 -5.271 -9.668 -0.389 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.641 -10.558 -1.564 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.989 -8.329 -0.484 1.00 0.00 C ATOM 0 H LEU A 58 -3.347 -11.307 1.220 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.504 -8.925 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.546 -11.438 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.635 -10.128 1.194 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.197 -9.485 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.398 -10.049 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.081 -11.491 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.709 -10.773 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.742 -7.850 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.066 -8.489 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.674 -7.688 0.339 1.00 0.00 H new ATOM 850 N THR A 59 -6.459 -9.534 3.742 1.00 0.00 N ATOM 851 CA THR A 59 -7.231 -9.736 4.962 1.00 0.00 C ATOM 852 C THR A 59 -8.568 -10.404 4.662 1.00 0.00 C ATOM 853 O THR A 59 -9.295 -10.799 5.573 1.00 0.00 O ATOM 854 CB THR A 59 -7.488 -8.404 5.691 1.00 0.00 C ATOM 855 OG1 THR A 59 -8.162 -7.490 4.819 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.182 -7.787 6.169 1.00 0.00 C ATOM 0 H THR A 59 -6.775 -8.753 3.167 1.00 0.00 H new ATOM 0 HA THR A 59 -6.639 -10.386 5.606 1.00 0.00 H new ATOM 0 HB THR A 59 -8.115 -8.606 6.559 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.539 -7.174 4.131 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.389 -6.847 6.681 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.686 -8.472 6.856 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.534 -7.599 5.313 1.00 0.00 H new ATOM 864 N LYS A 60 -8.887 -10.528 3.378 1.00 0.00 N ATOM 865 CA LYS A 60 -10.136 -11.151 2.956 1.00 0.00 C ATOM 866 C LYS A 60 -9.915 -12.611 2.577 1.00 0.00 C ATOM 867 O LYS A 60 -10.391 -13.520 3.259 1.00 0.00 O ATOM 868 CB LYS A 60 -10.735 -10.390 1.771 1.00 0.00 C ATOM 869 CG LYS A 60 -11.703 -9.293 2.179 1.00 0.00 C ATOM 870 CD LYS A 60 -12.386 -8.675 0.970 1.00 0.00 C ATOM 871 CE LYS A 60 -13.680 -7.976 1.358 1.00 0.00 C ATOM 872 NZ LYS A 60 -13.428 -6.747 2.161 1.00 0.00 N ATOM 0 H LYS A 60 -8.297 -10.205 2.611 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.833 -11.113 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.927 -9.951 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.252 -11.096 1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.455 -9.702 2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.167 -8.520 2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.713 -7.960 0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.597 -9.451 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.235 -7.714 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.306 -8.661 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.335 -6.300 2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.921 -7.000 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.852 -6.082 1.606 1.00 0.00 H new ATOM 886 N CYS A 61 -9.190 -12.831 1.485 1.00 0.00 N ATOM 887 CA CYS A 61 -8.905 -14.181 1.015 1.00 0.00 C ATOM 888 C CYS A 61 -7.595 -14.697 1.605 1.00 0.00 C ATOM 889 O CYS A 61 -7.261 -15.874 1.466 1.00 0.00 O ATOM 890 CB CYS A 61 -8.834 -14.208 -0.513 1.00 0.00 C ATOM 891 SG CYS A 61 -7.832 -12.868 -1.234 1.00 0.00 S ATOM 0 H CYS A 61 -8.789 -12.091 0.909 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.714 -14.832 1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.422 -15.166 -0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.846 -14.147 -0.914 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.370 -12.476 -2.351 1.00 0.00 H new ATOM 896 N SER A 62 -6.859 -13.809 2.263 1.00 0.00 N ATOM 897 CA SER A 62 -5.584 -14.172 2.872 1.00 0.00 C ATOM 898 C SER A 62 -4.627 -14.741 1.828 1.00 0.00 C ATOM 899 O SER A 62 -3.963 -15.751 2.063 1.00 0.00 O ATOM 900 CB SER A 62 -5.802 -15.193 3.990 1.00 0.00 C ATOM 901 OG SER A 62 -5.973 -16.498 3.464 1.00 0.00 O ATOM 0 H SER A 62 -7.123 -12.832 2.389 1.00 0.00 H new ATOM 0 HA SER A 62 -5.140 -13.270 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.950 -15.180 4.669 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.679 -14.915 4.574 1.00 0.00 H new ATOM 0 HG SER A 62 -6.783 -16.525 2.913 1.00 0.00 H new ATOM 907 N HIS A 63 -4.561 -14.083 0.675 1.00 0.00 N ATOM 908 CA HIS A 63 -3.685 -14.522 -0.406 1.00 0.00 C ATOM 909 C HIS A 63 -2.402 -13.696 -0.434 1.00 0.00 C ATOM 910 O HIS A 63 -2.443 -12.471 -0.547 1.00 0.00 O ATOM 911 CB HIS A 63 -4.404 -14.413 -1.750 1.00 0.00 C ATOM 912 CG HIS A 63 -5.444 -15.471 -1.961 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.156 -15.604 -3.134 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.888 -16.451 -1.139 1.00 0.00 C ATOM 915 CE1 HIS A 63 -6.995 -16.618 -3.024 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.852 -17.150 -1.824 1.00 0.00 N ATOM 0 H HIS A 63 -5.103 -13.245 0.465 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.422 -15.565 -0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.875 -13.433 -1.822 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.668 -14.473 -2.552 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.548 -16.647 -0.133 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.682 -16.955 -3.786 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.373 -17.950 -1.464 1.00 0.00 H new ATOM 924 N ALA A 64 -1.264 -14.375 -0.330 1.00 0.00 N ATOM 925 CA ALA A 64 0.030 -13.704 -0.345 1.00 0.00 C ATOM 926 C ALA A 64 0.290 -13.043 -1.694 1.00 0.00 C ATOM 927 O ALA A 64 0.067 -13.645 -2.745 1.00 0.00 O ATOM 928 CB ALA A 64 1.140 -14.691 -0.015 1.00 0.00 C ATOM 0 H ALA A 64 -1.212 -15.389 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 64 0.016 -12.923 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.101 -14.176 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.969 -15.113 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.146 -15.492 -0.754 1.00 0.00 H new ATOM 934 N PHE A 65 0.763 -11.802 -1.658 1.00 0.00 N ATOM 935 CA PHE A 65 1.052 -11.058 -2.879 1.00 0.00 C ATOM 936 C PHE A 65 2.025 -9.916 -2.602 1.00 0.00 C ATOM 937 O PHE A 65 1.910 -9.217 -1.595 1.00 0.00 O ATOM 938 CB PHE A 65 -0.241 -10.506 -3.483 1.00 0.00 C ATOM 939 CG PHE A 65 -0.918 -11.462 -4.424 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.409 -11.682 -5.694 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.064 -12.139 -4.040 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.029 -12.560 -6.562 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.688 -13.019 -4.903 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.171 -13.229 -6.167 1.00 0.00 C ATOM 0 H PHE A 65 0.954 -11.290 -0.797 1.00 0.00 H new ATOM 0 HA PHE A 65 1.515 -11.742 -3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.930 -10.252 -2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.018 -9.581 -4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.483 -11.161 -6.009 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.474 -11.977 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.621 -12.723 -7.549 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.579 -13.542 -4.590 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.659 -13.914 -6.844 1.00 0.00 H new ATOM 954 N HIS A 66 2.984 -9.732 -3.504 1.00 0.00 N ATOM 955 CA HIS A 66 3.979 -8.675 -3.358 1.00 0.00 C ATOM 956 C HIS A 66 3.306 -7.322 -3.149 1.00 0.00 C ATOM 957 O HIS A 66 2.812 -6.709 -4.096 1.00 0.00 O ATOM 958 CB HIS A 66 4.883 -8.623 -4.589 1.00 0.00 C ATOM 959 CG HIS A 66 5.820 -9.787 -4.694 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.524 -10.929 -5.408 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.054 -9.980 -4.171 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.535 -11.775 -5.318 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.476 -11.223 -4.574 1.00 0.00 N ATOM 0 H HIS A 66 3.093 -10.301 -4.344 1.00 0.00 H new ATOM 0 HA HIS A 66 4.586 -8.899 -2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.262 -8.585 -5.484 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.464 -7.701 -4.564 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.660 -11.095 -5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.604 -9.286 -3.552 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.583 -12.752 -5.775 1.00 0.00 H new ATOM 971 N LEU A 67 3.290 -6.861 -1.903 1.00 0.00 N ATOM 972 CA LEU A 67 2.677 -5.580 -1.569 1.00 0.00 C ATOM 973 C LEU A 67 2.984 -4.535 -2.636 1.00 0.00 C ATOM 974 O LEU A 67 2.236 -3.571 -2.810 1.00 0.00 O ATOM 975 CB LEU A 67 3.173 -5.095 -0.206 1.00 0.00 C ATOM 976 CG LEU A 67 2.834 -5.987 0.989 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.242 -5.314 2.290 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.350 -6.321 1.001 1.00 0.00 C ATOM 0 H LEU A 67 3.694 -7.355 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 67 1.597 -5.722 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.256 -4.984 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.759 -4.104 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 67 3.394 -6.917 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.993 -5.963 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.316 -5.127 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.710 -4.368 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.127 -6.956 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.770 -5.401 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.088 -6.846 0.082 1.00 0.00 H new ATOM 990 N LEU A 68 4.086 -4.732 -3.350 1.00 0.00 N ATOM 991 CA LEU A 68 4.491 -3.808 -4.404 1.00 0.00 C ATOM 992 C LEU A 68 3.739 -4.094 -5.699 1.00 0.00 C ATOM 993 O LEU A 68 3.172 -3.190 -6.314 1.00 0.00 O ATOM 994 CB LEU A 68 5.999 -3.906 -4.644 1.00 0.00 C ATOM 995 CG LEU A 68 6.604 -2.838 -5.555 1.00 0.00 C ATOM 996 CD1 LEU A 68 6.644 -1.492 -4.848 1.00 0.00 C ATOM 997 CD2 LEU A 68 7.999 -3.248 -6.004 1.00 0.00 C ATOM 0 H LEU A 68 4.716 -5.524 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 68 4.246 -2.797 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.504 -3.861 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.216 -4.885 -5.071 1.00 0.00 H new ATOM 0 HG LEU A 68 5.973 -2.742 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.078 -0.745 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.631 -1.193 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.252 -1.572 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.414 -2.476 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.640 -3.373 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.943 -4.189 -6.551 1.00 0.00 H new ATOM 1009 N CYS A 69 3.735 -5.359 -6.108 1.00 0.00 N ATOM 1010 CA CYS A 69 3.051 -5.766 -7.329 1.00 0.00 C ATOM 1011 C CYS A 69 1.610 -5.266 -7.338 1.00 0.00 C ATOM 1012 O CYS A 69 1.143 -4.699 -8.327 1.00 0.00 O ATOM 1013 CB CYS A 69 3.074 -7.290 -7.467 1.00 0.00 C ATOM 1014 SG CYS A 69 4.690 -7.967 -7.967 1.00 0.00 S ATOM 0 H CYS A 69 4.198 -6.120 -5.611 1.00 0.00 H new ATOM 0 HA CYS A 69 3.576 -5.323 -8.175 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.785 -7.735 -6.515 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.324 -7.589 -8.200 1.00 0.00 H new ATOM 0 HG CYS A 69 5.583 -7.023 -7.941 1.00 0.00 H new ATOM 1019 N LEU A 70 0.909 -5.478 -6.230 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.480 -5.049 -6.108 1.00 0.00 C ATOM 1021 C LEU A 70 -0.626 -3.571 -6.458 1.00 0.00 C ATOM 1022 O LEU A 70 -1.597 -3.166 -7.098 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.991 -5.301 -4.689 1.00 0.00 C ATOM 1024 CG LEU A 70 -1.170 -6.767 -4.290 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.357 -6.892 -2.786 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.350 -7.380 -5.030 1.00 0.00 C ATOM 0 H LEU A 70 1.280 -5.945 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.076 -5.631 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.299 -4.836 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.949 -4.794 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.269 -7.313 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.483 -7.942 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.481 -6.491 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.242 -6.332 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.463 -8.423 -4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.259 -6.832 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.174 -7.324 -6.104 1.00 0.00 H new ATOM 1038 N LEU A 71 0.347 -2.770 -6.036 1.00 0.00 N ATOM 1039 CA LEU A 71 0.329 -1.337 -6.306 1.00 0.00 C ATOM 1040 C LEU A 71 0.465 -1.063 -7.801 1.00 0.00 C ATOM 1041 O LEU A 71 -0.276 -0.259 -8.364 1.00 0.00 O ATOM 1042 CB LEU A 71 1.456 -0.640 -5.544 1.00 0.00 C ATOM 1043 CG LEU A 71 1.671 0.839 -5.867 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.750 1.709 -5.026 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.126 1.228 -5.643 1.00 0.00 C ATOM 0 H LEU A 71 1.158 -3.089 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.629 -0.941 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.257 -0.733 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.386 -1.173 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 71 1.430 1.000 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.918 2.758 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.288 1.449 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.959 1.544 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.261 2.284 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.394 1.051 -4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.767 0.628 -6.289 1.00 0.00 H new ATOM 1057 N ALA A 72 1.416 -1.739 -8.437 1.00 0.00 N ATOM 1058 CA ALA A 72 1.647 -1.572 -9.866 1.00 0.00 C ATOM 1059 C ALA A 72 0.362 -1.789 -10.659 1.00 0.00 C ATOM 1060 O ALA A 72 -0.048 -0.933 -11.441 1.00 0.00 O ATOM 1061 CB ALA A 72 2.731 -2.528 -10.341 1.00 0.00 C ATOM 0 H ALA A 72 2.039 -2.408 -7.985 1.00 0.00 H new ATOM 0 HA ALA A 72 1.980 -0.549 -10.038 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.893 -2.392 -11.410 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.658 -2.323 -9.805 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.420 -3.555 -10.149 1.00 0.00 H new ATOM 1067 N MET A 73 -0.268 -2.941 -10.451 1.00 0.00 N ATOM 1068 CA MET A 73 -1.507 -3.270 -11.146 1.00 0.00 C ATOM 1069 C MET A 73 -2.610 -2.280 -10.789 1.00 0.00 C ATOM 1070 O MET A 73 -3.407 -1.889 -11.642 1.00 0.00 O ATOM 1071 CB MET A 73 -1.949 -4.693 -10.799 1.00 0.00 C ATOM 1072 CG MET A 73 -3.154 -5.166 -11.595 1.00 0.00 C ATOM 1073 SD MET A 73 -4.708 -4.501 -10.965 1.00 0.00 S ATOM 1074 CE MET A 73 -4.781 -5.280 -9.354 1.00 0.00 C ATOM 0 H MET A 73 0.059 -3.662 -9.807 1.00 0.00 H new ATOM 0 HA MET A 73 -1.321 -3.207 -12.218 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.118 -5.376 -10.974 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.184 -4.743 -9.736 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.034 -4.872 -12.638 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.194 -6.255 -11.573 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.821 -5.379 -9.045 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.322 -6.267 -9.406 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.244 -4.668 -8.629 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.652 -1.879 -9.523 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.660 -0.936 -9.052 1.00 0.00 C ATOM 1086 C TYR A 74 -3.634 0.347 -9.878 1.00 0.00 C ATOM 1087 O TYR A 74 -4.678 0.931 -10.170 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.433 -0.610 -7.575 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.100 0.671 -7.128 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.581 1.909 -7.485 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.251 0.643 -6.350 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.188 3.082 -7.079 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -5.865 1.811 -5.940 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.329 3.027 -6.307 1.00 0.00 C ATOM 1095 OH TYR A 74 -5.937 4.194 -5.901 1.00 0.00 O ATOM 0 H TYR A 74 -2.000 -2.192 -8.804 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.639 -1.401 -9.168 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.806 -1.435 -6.968 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.362 -0.536 -7.388 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.688 1.956 -8.090 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.673 -0.308 -6.061 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.771 4.036 -7.365 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.759 1.772 -5.336 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.869 4.011 -5.661 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.434 0.778 -10.251 1.00 0.00 N ATOM 1106 CA CYS A 75 -2.270 1.992 -11.043 1.00 0.00 C ATOM 1107 C CYS A 75 -3.093 1.919 -12.326 1.00 0.00 C ATOM 1108 O CYS A 75 -3.975 2.745 -12.556 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.795 2.210 -11.380 1.00 0.00 C ATOM 1110 SG CYS A 75 -0.507 3.446 -12.669 1.00 0.00 S ATOM 0 H CYS A 75 -1.561 0.305 -10.018 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.628 2.834 -10.451 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.268 2.514 -10.476 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.362 1.262 -11.698 1.00 0.00 H new ATOM 0 HG CYS A 75 0.770 3.561 -12.882 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.230 4.215 -4.973 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.224 3.669 -3.629 1.00 0.00 C ATOM 1187 C GLY A 81 -9.830 2.281 -3.563 1.00 0.00 C ATOM 1188 O GLY A 81 -10.698 2.014 -2.733 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.199 3.632 -3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.777 4.335 -2.967 1.00 0.00 H new ATOM 1192 N SER A 82 -9.372 1.396 -4.442 1.00 0.00 N ATOM 1193 CA SER A 82 -9.878 0.029 -4.485 1.00 0.00 C ATOM 1194 C SER A 82 -8.799 -0.935 -4.969 1.00 0.00 C ATOM 1195 O SER A 82 -8.000 -0.602 -5.845 1.00 0.00 O ATOM 1196 CB SER A 82 -11.102 -0.056 -5.399 1.00 0.00 C ATOM 1197 OG SER A 82 -11.568 -1.390 -5.505 1.00 0.00 O ATOM 0 H SER A 82 -8.651 1.601 -5.134 1.00 0.00 H new ATOM 0 HA SER A 82 -10.168 -0.257 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.896 0.580 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.848 0.323 -6.389 1.00 0.00 H new ATOM 0 HG SER A 82 -11.809 -1.724 -4.616 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.783 -2.132 -4.393 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.803 -3.147 -4.764 1.00 0.00 C ATOM 1205 C LEU A 83 -8.490 -4.457 -5.136 1.00 0.00 C ATOM 1206 O LEU A 83 -9.434 -4.883 -4.472 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.821 -3.380 -3.615 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.461 -3.962 -4.002 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.617 -5.382 -4.525 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.780 -3.082 -5.040 1.00 0.00 C ATOM 0 H LEU A 83 -9.438 -2.424 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.255 -2.787 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.656 -2.430 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.289 -4.050 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.833 -3.991 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.639 -5.780 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.062 -6.008 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.262 -5.377 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.813 -3.512 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.405 -3.020 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.633 -2.083 -4.630 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.006 -5.092 -6.199 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.573 -6.355 -6.657 1.00 0.00 C ATOM 1224 C GLN A 84 -7.516 -7.454 -6.668 1.00 0.00 C ATOM 1225 O GLN A 84 -6.360 -7.215 -7.020 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.172 -6.192 -8.055 1.00 0.00 C ATOM 1227 CG GLN A 84 -9.529 -7.511 -8.721 1.00 0.00 C ATOM 1228 CD GLN A 84 -10.792 -8.128 -8.153 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -10.899 -8.355 -6.947 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -11.759 -8.404 -9.021 1.00 0.00 N ATOM 0 H GLN A 84 -7.223 -4.753 -6.759 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.362 -6.643 -5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.068 -5.574 -7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.462 -5.657 -8.685 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.657 -7.350 -9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.702 -8.210 -8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.629 -8.200 -10.012 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.632 -8.820 -8.697 1.00 0.00 H new ATOM 1239 N CYS A 85 -7.919 -8.660 -6.281 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.006 -9.796 -6.245 1.00 0.00 C ATOM 1241 C CYS A 85 -7.058 -10.576 -7.556 1.00 0.00 C ATOM 1242 O CYS A 85 -8.086 -11.139 -7.932 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.354 -10.719 -5.075 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.062 -11.943 -4.685 1.00 0.00 S ATOM 0 H CYS A 85 -8.872 -8.875 -5.988 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.994 -9.414 -6.109 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.543 -10.111 -4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.281 -11.245 -5.304 1.00 0.00 H new ATOM 0 HG CYS A 85 -4.926 -11.547 -5.178 1.00 0.00 H new ATOM 1249 N PRO A 86 -5.922 -10.611 -8.268 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.811 -11.319 -9.547 1.00 0.00 C ATOM 1251 C PRO A 86 -5.867 -12.834 -9.378 1.00 0.00 C ATOM 1252 O PRO A 86 -5.680 -13.583 -10.337 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.439 -10.890 -10.072 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.662 -10.530 -8.853 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.658 -9.963 -7.880 1.00 0.00 C ATOM 0 HA PRO A 86 -6.634 -11.078 -10.219 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.957 -11.696 -10.625 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.523 -10.043 -10.753 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.163 -11.405 -8.436 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.886 -9.801 -9.086 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.388 -10.193 -6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.723 -8.878 -7.958 1.00 0.00 H new ATOM 1263 N SER A 87 -6.126 -13.278 -8.152 1.00 0.00 N ATOM 1264 CA SER A 87 -6.203 -14.704 -7.857 1.00 0.00 C ATOM 1265 C SER A 87 -7.653 -15.145 -7.682 1.00 0.00 C ATOM 1266 O SER A 87 -8.142 -16.014 -8.405 1.00 0.00 O ATOM 1267 CB SER A 87 -5.403 -15.029 -6.593 1.00 0.00 C ATOM 1268 OG SER A 87 -4.869 -16.340 -6.650 1.00 0.00 O ATOM 0 H SER A 87 -6.286 -12.671 -7.348 1.00 0.00 H new ATOM 0 HA SER A 87 -5.775 -15.248 -8.699 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.594 -14.308 -6.476 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.045 -14.932 -5.718 1.00 0.00 H new ATOM 0 HG SER A 87 -4.361 -16.522 -5.832 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.336 -14.541 -6.716 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.730 -14.870 -6.443 1.00 0.00 C ATOM 1276 C CYS A 88 -10.662 -13.806 -7.017 1.00 0.00 C ATOM 1277 O CYS A 88 -11.885 -13.933 -6.948 1.00 0.00 O ATOM 1278 CB CYS A 88 -9.959 -15.005 -4.937 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.451 -13.545 -3.973 1.00 0.00 S ATOM 0 H CYS A 88 -7.946 -13.820 -6.108 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.953 -15.822 -6.924 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.017 -15.196 -4.757 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.412 -15.875 -4.574 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.724 -13.923 -2.964 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.075 -12.757 -7.583 1.00 0.00 N ATOM 1285 CA LYS A 89 -10.851 -11.671 -8.171 1.00 0.00 C ATOM 1286 C LYS A 89 -11.730 -11.000 -7.120 1.00 0.00 C ATOM 1287 O LYS A 89 -12.800 -10.477 -7.433 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.718 -12.198 -9.316 1.00 0.00 C ATOM 1289 CG LYS A 89 -10.921 -12.847 -10.434 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.190 -11.812 -11.272 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.614 -12.425 -12.539 1.00 0.00 C ATOM 1292 NZ LYS A 89 -8.392 -13.229 -12.260 1.00 0.00 N ATOM 0 H LYS A 89 -9.064 -12.636 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.154 -10.930 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.428 -12.924 -8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.301 -11.374 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.201 -13.547 -10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.590 -13.425 -11.071 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.875 -11.006 -11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.387 -11.368 -10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.366 -13.058 -13.010 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.374 -11.633 -13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.030 -13.630 -13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.665 -12.619 -11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.626 -14.000 -11.603 1.00 0.00 H new ATOM 1306 N THR A 90 -11.272 -11.017 -5.873 1.00 0.00 N ATOM 1307 CA THR A 90 -12.016 -10.411 -4.776 1.00 0.00 C ATOM 1308 C THR A 90 -11.644 -8.942 -4.605 1.00 0.00 C ATOM 1309 O THR A 90 -10.599 -8.619 -4.040 1.00 0.00 O ATOM 1310 CB THR A 90 -11.764 -11.150 -3.449 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.218 -12.505 -3.549 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.476 -10.455 -2.298 1.00 0.00 C ATOM 0 H THR A 90 -10.388 -11.444 -5.597 1.00 0.00 H new ATOM 0 HA THR A 90 -13.073 -10.489 -5.031 1.00 0.00 H new ATOM 0 HB THR A 90 -10.692 -11.140 -3.251 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.450 -13.098 -3.686 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.283 -10.995 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.107 -9.433 -2.206 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.549 -10.437 -2.491 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.506 -8.058 -5.096 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.267 -6.623 -4.995 1.00 0.00 C ATOM 1322 C ILE A 91 -12.600 -6.107 -3.599 1.00 0.00 C ATOM 1323 O ILE A 91 -13.591 -6.517 -2.994 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.096 -5.840 -6.030 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -12.980 -6.495 -7.409 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -12.641 -4.390 -6.086 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -14.111 -6.134 -8.346 1.00 0.00 C ATOM 0 H ILE A 91 -13.375 -8.309 -5.567 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.207 -6.465 -5.195 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.143 -5.860 -5.726 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.034 -6.201 -7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.952 -7.578 -7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -13.237 -3.850 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -12.770 -3.930 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -11.589 -4.349 -6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -13.964 -6.633 -9.304 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -15.059 -6.453 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -14.127 -5.055 -8.498 1.00 0.00 H new ATOM 1339 N TYR A 92 -11.767 -5.205 -3.094 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.972 -4.633 -1.768 1.00 0.00 C ATOM 1341 C TYR A 92 -12.566 -3.231 -1.866 1.00 0.00 C ATOM 1342 O TYR A 92 -12.339 -2.514 -2.840 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.650 -4.586 -1.000 1.00 0.00 C ATOM 1344 CG TYR A 92 -10.013 -5.943 -0.808 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.668 -6.731 -1.899 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.756 -6.438 0.465 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.086 -7.973 -1.728 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -9.173 -7.678 0.645 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.840 -8.441 -0.455 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.261 -9.677 -0.279 1.00 0.00 O ATOM 0 H TYR A 92 -10.943 -4.854 -3.582 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.675 -5.269 -1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.953 -3.939 -1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.823 -4.134 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.858 -6.367 -2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.016 -5.843 1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.825 -8.573 -2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.979 -8.048 1.641 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.832 -10.366 -0.678 1.00 0.00 H new