USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 58:sc= 1.08 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -112:sc= -1.23 (180deg=-2.28) USER MOD Single : A 16 THR OG1 : rot -90:sc= -3.35! USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= -0.0646 (180deg=-0.574) USER MOD Single : A 21 ASN : amide:sc= -2.91! C(o=-2.9!,f=-3.2!) USER MOD Single : A 22 ASN : amide:sc= -11.1! K(o=-11!,f=-3.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 138:sc= -0.401 (180deg=-2.06!) USER MOD Single : A 37 SER OG : rot -88:sc= 0.487! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -58:sc= -0.13 USER MOD Single : A 48 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 101:sc= 0.817 USER MOD Single : A 67 SER OG : rot 156:sc= -2.96! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HE2:sc= -6.94! C(o=-6.9!,f=-7.9!) USER MOD Single : A 79 SER OG : rot -102:sc= 0.807 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 24.046 2.558 12.772 1.00 0.00 N ATOM 2 CA SER A 1 22.794 2.259 13.524 1.00 0.00 C ATOM 3 C SER A 1 21.772 1.622 12.582 1.00 0.00 C ATOM 4 O SER A 1 20.797 2.238 12.200 1.00 0.00 O ATOM 5 CB SER A 1 22.219 3.556 14.094 1.00 0.00 C ATOM 6 OG SER A 1 21.866 4.422 13.024 1.00 0.00 O ATOM 0 H1 SER A 1 24.741 2.991 13.413 1.00 0.00 H new ATOM 0 H2 SER A 1 24.436 1.676 12.383 1.00 0.00 H new ATOM 0 H3 SER A 1 23.835 3.216 11.994 1.00 0.00 H new ATOM 0 HA SER A 1 23.017 1.570 14.339 1.00 0.00 H new ATOM 0 HB2 SER A 1 21.344 3.341 14.707 1.00 0.00 H new ATOM 0 HB3 SER A 1 22.951 4.039 14.741 1.00 0.00 H new ATOM 0 HG SER A 1 21.225 3.971 12.435 1.00 0.00 H new ATOM 14 N ASP A 2 21.985 0.392 12.203 1.00 0.00 N ATOM 15 CA ASP A 2 21.023 -0.281 11.287 1.00 0.00 C ATOM 16 C ASP A 2 19.735 -0.601 12.047 1.00 0.00 C ATOM 17 O ASP A 2 19.195 -1.684 11.946 1.00 0.00 O ATOM 18 CB ASP A 2 21.641 -1.576 10.758 1.00 0.00 C ATOM 19 CG ASP A 2 22.937 -1.254 10.009 1.00 0.00 C ATOM 20 OD1 ASP A 2 23.728 -0.490 10.537 1.00 0.00 O ATOM 21 OD2 ASP A 2 23.116 -1.777 8.922 1.00 0.00 O ATOM 0 H ASP A 2 22.783 -0.175 12.488 1.00 0.00 H new ATOM 0 HA ASP A 2 20.796 0.379 10.450 1.00 0.00 H new ATOM 0 HB2 ASP A 2 21.845 -2.258 11.584 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.940 -2.081 10.093 1.00 0.00 H new ATOM 26 N VAL A 3 19.238 0.336 12.810 1.00 0.00 N ATOM 27 CA VAL A 3 17.985 0.088 13.576 1.00 0.00 C ATOM 28 C VAL A 3 16.780 0.238 12.650 1.00 0.00 C ATOM 29 O VAL A 3 15.864 -0.557 12.674 1.00 0.00 O ATOM 30 CB VAL A 3 17.874 1.098 14.716 1.00 0.00 C ATOM 31 CG1 VAL A 3 16.507 0.968 15.402 1.00 0.00 C ATOM 32 CG2 VAL A 3 18.984 0.840 15.737 1.00 0.00 C ATOM 0 H VAL A 3 19.647 1.262 12.935 1.00 0.00 H new ATOM 0 HA VAL A 3 18.007 -0.922 13.984 1.00 0.00 H new ATOM 0 HB VAL A 3 17.976 2.105 14.311 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.437 1.692 16.214 1.00 0.00 H new ATOM 0 HG12 VAL A 3 15.716 1.159 14.676 1.00 0.00 H new ATOM 0 HG13 VAL A 3 16.396 -0.039 15.804 1.00 0.00 H new ATOM 0 HG21 VAL A 3 18.905 1.561 16.551 1.00 0.00 H new ATOM 0 HG22 VAL A 3 18.884 -0.170 16.136 1.00 0.00 H new ATOM 0 HG23 VAL A 3 19.955 0.945 15.253 1.00 0.00 H new ATOM 42 N TYR A 4 16.765 1.262 11.844 1.00 0.00 N ATOM 43 CA TYR A 4 15.606 1.470 10.933 1.00 0.00 C ATOM 44 C TYR A 4 15.597 0.392 9.845 1.00 0.00 C ATOM 45 O TYR A 4 14.627 -0.318 9.681 1.00 0.00 O ATOM 46 CB TYR A 4 15.698 2.876 10.310 1.00 0.00 C ATOM 47 CG TYR A 4 14.980 3.878 11.195 1.00 0.00 C ATOM 48 CD1 TYR A 4 15.023 3.743 12.592 1.00 0.00 C ATOM 49 CD2 TYR A 4 14.265 4.933 10.619 1.00 0.00 C ATOM 50 CE1 TYR A 4 14.354 4.660 13.406 1.00 0.00 C ATOM 51 CE2 TYR A 4 13.595 5.854 11.434 1.00 0.00 C ATOM 52 CZ TYR A 4 13.639 5.717 12.829 1.00 0.00 C ATOM 53 OH TYR A 4 12.978 6.624 13.633 1.00 0.00 O ATOM 0 H TYR A 4 17.503 1.962 11.777 1.00 0.00 H new ATOM 0 HA TYR A 4 14.675 1.393 11.495 1.00 0.00 H new ATOM 0 HB2 TYR A 4 16.743 3.164 10.192 1.00 0.00 H new ATOM 0 HB3 TYR A 4 15.254 2.872 9.314 1.00 0.00 H new ATOM 0 HD1 TYR A 4 15.574 2.929 13.038 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.230 5.038 9.545 1.00 0.00 H new ATOM 0 HE1 TYR A 4 14.388 4.554 14.480 1.00 0.00 H new ATOM 0 HE2 TYR A 4 13.045 6.669 10.988 1.00 0.00 H new ATOM 0 HH TYR A 4 12.533 7.294 13.073 1.00 0.00 H new ATOM 63 N CYS A 5 16.659 0.260 9.105 1.00 0.00 N ATOM 64 CA CYS A 5 16.684 -0.780 8.036 1.00 0.00 C ATOM 65 C CYS A 5 16.266 -2.130 8.631 1.00 0.00 C ATOM 66 O CYS A 5 15.490 -2.866 8.050 1.00 0.00 O ATOM 67 CB CYS A 5 18.097 -0.890 7.449 1.00 0.00 C ATOM 68 SG CYS A 5 18.014 -1.713 5.839 1.00 0.00 S ATOM 0 H CYS A 5 17.506 0.821 9.190 1.00 0.00 H new ATOM 0 HA CYS A 5 15.990 -0.500 7.243 1.00 0.00 H new ATOM 0 HB2 CYS A 5 18.537 0.102 7.341 1.00 0.00 H new ATOM 0 HB3 CYS A 5 18.741 -1.452 8.125 1.00 0.00 H new ATOM 73 N GLU A 6 16.777 -2.463 9.786 1.00 0.00 N ATOM 74 CA GLU A 6 16.419 -3.767 10.415 1.00 0.00 C ATOM 75 C GLU A 6 14.969 -3.737 10.909 1.00 0.00 C ATOM 76 O GLU A 6 14.133 -4.488 10.446 1.00 0.00 O ATOM 77 CB GLU A 6 17.351 -4.031 11.599 1.00 0.00 C ATOM 78 CG GLU A 6 18.760 -4.332 11.083 1.00 0.00 C ATOM 79 CD GLU A 6 19.714 -4.494 12.268 1.00 0.00 C ATOM 80 OE1 GLU A 6 19.233 -4.751 13.360 1.00 0.00 O ATOM 81 OE2 GLU A 6 20.909 -4.359 12.064 1.00 0.00 O ATOM 0 H GLU A 6 17.427 -1.888 10.321 1.00 0.00 H new ATOM 0 HA GLU A 6 16.526 -4.559 9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.372 -3.164 12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.980 -4.871 12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.752 -5.241 10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 6 19.102 -3.525 10.435 1.00 0.00 H new ATOM 88 N VAL A 7 14.664 -2.890 11.855 1.00 0.00 N ATOM 89 CA VAL A 7 13.269 -2.836 12.380 1.00 0.00 C ATOM 90 C VAL A 7 12.290 -2.658 11.207 1.00 0.00 C ATOM 91 O VAL A 7 11.155 -3.084 11.260 1.00 0.00 O ATOM 92 CB VAL A 7 13.153 -1.669 13.402 1.00 0.00 C ATOM 93 CG1 VAL A 7 12.740 -0.359 12.709 1.00 0.00 C ATOM 94 CG2 VAL A 7 12.125 -2.027 14.488 1.00 0.00 C ATOM 0 H VAL A 7 15.317 -2.236 12.286 1.00 0.00 H new ATOM 0 HA VAL A 7 13.018 -3.765 12.892 1.00 0.00 H new ATOM 0 HB VAL A 7 14.132 -1.520 13.857 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.667 0.437 13.450 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.487 -0.092 11.961 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.773 -0.493 12.224 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.048 -1.206 15.201 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.153 -2.199 14.026 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.445 -2.930 15.008 1.00 0.00 H new ATOM 104 N CYS A 8 12.730 -2.026 10.151 1.00 0.00 N ATOM 105 CA CYS A 8 11.837 -1.807 8.977 1.00 0.00 C ATOM 106 C CYS A 8 11.579 -3.136 8.263 1.00 0.00 C ATOM 107 O CYS A 8 10.562 -3.318 7.621 1.00 0.00 O ATOM 108 CB CYS A 8 12.511 -0.833 8.009 1.00 0.00 C ATOM 109 SG CYS A 8 11.576 -0.762 6.463 1.00 0.00 S ATOM 0 H CYS A 8 13.673 -1.651 10.051 1.00 0.00 H new ATOM 0 HA CYS A 8 10.887 -1.394 9.317 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.567 0.159 8.457 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.534 -1.152 7.812 1.00 0.00 H new ATOM 114 N GLU A 9 12.488 -4.068 8.369 1.00 0.00 N ATOM 115 CA GLU A 9 12.273 -5.394 7.682 1.00 0.00 C ATOM 116 C GLU A 9 11.430 -6.305 8.578 1.00 0.00 C ATOM 117 O GLU A 9 10.602 -7.062 8.107 1.00 0.00 O ATOM 118 CB GLU A 9 13.609 -6.098 7.365 1.00 0.00 C ATOM 119 CG GLU A 9 13.338 -7.276 6.429 1.00 0.00 C ATOM 120 CD GLU A 9 14.655 -7.982 6.100 1.00 0.00 C ATOM 121 OE1 GLU A 9 15.523 -7.342 5.530 1.00 0.00 O ATOM 122 OE2 GLU A 9 14.773 -9.153 6.424 1.00 0.00 O ATOM 0 H GLU A 9 13.360 -3.980 8.891 1.00 0.00 H new ATOM 0 HA GLU A 9 11.758 -5.200 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.303 -5.398 6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.078 -6.447 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.646 -7.975 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.863 -6.924 5.513 1.00 0.00 H new ATOM 129 N PHE A 10 11.635 -6.246 9.864 1.00 0.00 N ATOM 130 CA PHE A 10 10.853 -7.117 10.787 1.00 0.00 C ATOM 131 C PHE A 10 9.431 -6.563 10.959 1.00 0.00 C ATOM 132 O PHE A 10 8.547 -7.252 11.428 1.00 0.00 O ATOM 133 CB PHE A 10 11.558 -7.166 12.149 1.00 0.00 C ATOM 134 CG PHE A 10 10.664 -7.828 13.172 1.00 0.00 C ATOM 135 CD1 PHE A 10 10.690 -9.218 13.335 1.00 0.00 C ATOM 136 CD2 PHE A 10 9.804 -7.048 13.954 1.00 0.00 C ATOM 137 CE1 PHE A 10 9.857 -9.827 14.282 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.972 -7.657 14.899 1.00 0.00 C ATOM 139 CZ PHE A 10 8.998 -9.046 15.063 1.00 0.00 C ATOM 0 H PHE A 10 12.311 -5.631 10.317 1.00 0.00 H new ATOM 0 HA PHE A 10 10.789 -8.121 10.369 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.495 -7.716 12.063 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.810 -6.156 12.474 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.352 -9.821 12.731 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.783 -5.976 13.828 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.878 -10.899 14.409 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.309 -7.055 15.502 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.355 -9.516 15.793 1.00 0.00 H new ATOM 149 N LEU A 11 9.203 -5.328 10.601 1.00 0.00 N ATOM 150 CA LEU A 11 7.835 -4.745 10.767 1.00 0.00 C ATOM 151 C LEU A 11 6.997 -4.983 9.507 1.00 0.00 C ATOM 152 O LEU A 11 5.828 -5.301 9.587 1.00 0.00 O ATOM 153 CB LEU A 11 7.949 -3.237 11.018 1.00 0.00 C ATOM 154 CG LEU A 11 8.478 -2.976 12.438 1.00 0.00 C ATOM 155 CD1 LEU A 11 8.933 -1.516 12.542 1.00 0.00 C ATOM 156 CD2 LEU A 11 7.382 -3.249 13.489 1.00 0.00 C ATOM 0 H LEU A 11 9.899 -4.698 10.202 1.00 0.00 H new ATOM 0 HA LEU A 11 7.349 -5.228 11.615 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.618 -2.788 10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.975 -2.765 10.892 1.00 0.00 H new ATOM 0 HG LEU A 11 9.316 -3.646 12.631 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.310 -1.323 13.546 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.724 -1.329 11.816 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.089 -0.857 12.338 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.778 -3.058 14.486 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.530 -2.594 13.305 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.062 -4.289 13.419 1.00 0.00 H new ATOM 168 N VAL A 12 7.569 -4.819 8.346 1.00 0.00 N ATOM 169 CA VAL A 12 6.776 -5.025 7.104 1.00 0.00 C ATOM 170 C VAL A 12 6.489 -6.518 6.898 1.00 0.00 C ATOM 171 O VAL A 12 5.531 -6.881 6.253 1.00 0.00 O ATOM 172 CB VAL A 12 7.539 -4.462 5.905 1.00 0.00 C ATOM 173 CG1 VAL A 12 7.847 -2.983 6.152 1.00 0.00 C ATOM 174 CG2 VAL A 12 8.846 -5.239 5.694 1.00 0.00 C ATOM 0 H VAL A 12 8.544 -4.553 8.205 1.00 0.00 H new ATOM 0 HA VAL A 12 5.825 -4.500 7.198 1.00 0.00 H new ATOM 0 HB VAL A 12 6.926 -4.564 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.391 -2.577 5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.914 -2.434 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.455 -2.883 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.379 -4.828 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.469 -5.153 6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.619 -6.289 5.510 1.00 0.00 H new ATOM 184 N LYS A 13 7.308 -7.377 7.446 1.00 0.00 N ATOM 185 CA LYS A 13 7.089 -8.854 7.297 1.00 0.00 C ATOM 186 C LYS A 13 6.100 -9.347 8.363 1.00 0.00 C ATOM 187 O LYS A 13 5.210 -10.124 8.079 1.00 0.00 O ATOM 188 CB LYS A 13 8.430 -9.567 7.461 1.00 0.00 C ATOM 189 CG LYS A 13 8.270 -11.108 7.300 1.00 0.00 C ATOM 190 CD LYS A 13 8.879 -11.847 8.503 1.00 0.00 C ATOM 191 CE LYS A 13 7.918 -11.775 9.692 1.00 0.00 C ATOM 192 NZ LYS A 13 6.639 -12.452 9.337 1.00 0.00 N ATOM 0 H LYS A 13 8.128 -7.120 7.996 1.00 0.00 H new ATOM 0 HA LYS A 13 6.674 -9.069 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.137 -9.193 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.847 -9.342 8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.214 -11.361 7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.757 -11.435 6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.074 -12.887 8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.837 -11.401 8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.365 -12.252 10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.730 -10.735 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.878 -11.746 9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.743 -12.932 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.402 -13.152 10.069 1.00 0.00 H new ATOM 206 N GLU A 14 6.246 -8.909 9.586 1.00 0.00 N ATOM 207 CA GLU A 14 5.307 -9.366 10.655 1.00 0.00 C ATOM 208 C GLU A 14 3.905 -8.840 10.345 1.00 0.00 C ATOM 209 O GLU A 14 2.929 -9.571 10.332 1.00 0.00 O ATOM 210 CB GLU A 14 5.776 -8.820 12.009 1.00 0.00 C ATOM 211 CG GLU A 14 5.023 -9.519 13.147 1.00 0.00 C ATOM 212 CD GLU A 14 3.577 -9.022 13.189 1.00 0.00 C ATOM 213 OE1 GLU A 14 3.384 -7.818 13.146 1.00 0.00 O ATOM 214 OE2 GLU A 14 2.687 -9.854 13.262 1.00 0.00 O ATOM 0 H GLU A 14 6.970 -8.258 9.891 1.00 0.00 H new ATOM 0 HA GLU A 14 5.288 -10.455 10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.849 -8.977 12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.605 -7.745 12.056 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.043 -10.599 13.000 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.515 -9.318 14.099 1.00 0.00 H new ATOM 221 N VAL A 15 3.794 -7.576 10.080 1.00 0.00 N ATOM 222 CA VAL A 15 2.462 -7.012 9.757 1.00 0.00 C ATOM 223 C VAL A 15 1.867 -7.822 8.608 1.00 0.00 C ATOM 224 O VAL A 15 0.726 -8.218 8.654 1.00 0.00 O ATOM 225 CB VAL A 15 2.611 -5.539 9.363 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.291 -5.428 7.998 1.00 0.00 C ATOM 227 CG2 VAL A 15 1.230 -4.885 9.305 1.00 0.00 C ATOM 0 H VAL A 15 4.566 -6.909 10.073 1.00 0.00 H new ATOM 0 HA VAL A 15 1.800 -7.067 10.621 1.00 0.00 H new ATOM 0 HB VAL A 15 3.224 -5.030 10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.393 -4.377 7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.278 -5.888 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.688 -5.940 7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.335 -3.837 9.025 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.615 -5.398 8.566 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.754 -4.953 10.283 1.00 0.00 H new ATOM 237 N THR A 16 2.642 -8.092 7.591 1.00 0.00 N ATOM 238 CA THR A 16 2.124 -8.896 6.446 1.00 0.00 C ATOM 239 C THR A 16 1.435 -10.155 6.985 1.00 0.00 C ATOM 240 O THR A 16 0.309 -10.450 6.642 1.00 0.00 O ATOM 241 CB THR A 16 3.307 -9.290 5.537 1.00 0.00 C ATOM 242 OG1 THR A 16 4.497 -8.906 6.176 1.00 0.00 O ATOM 243 CG2 THR A 16 3.202 -8.582 4.182 1.00 0.00 C ATOM 0 H THR A 16 3.612 -7.790 7.504 1.00 0.00 H new ATOM 0 HA THR A 16 1.404 -8.313 5.872 1.00 0.00 H new ATOM 0 HB THR A 16 3.294 -10.366 5.363 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.732 -7.993 5.908 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.044 -8.872 3.554 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.270 -8.867 3.694 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.216 -7.503 4.333 1.00 0.00 H new ATOM 251 N LYS A 17 2.116 -10.902 7.817 1.00 0.00 N ATOM 252 CA LYS A 17 1.519 -12.151 8.380 1.00 0.00 C ATOM 253 C LYS A 17 0.065 -11.875 8.792 1.00 0.00 C ATOM 254 O LYS A 17 -0.811 -12.692 8.591 1.00 0.00 O ATOM 255 CB LYS A 17 2.360 -12.611 9.599 1.00 0.00 C ATOM 256 CG LYS A 17 3.178 -13.863 9.248 1.00 0.00 C ATOM 257 CD LYS A 17 4.023 -14.275 10.456 1.00 0.00 C ATOM 258 CE LYS A 17 4.787 -15.559 10.131 1.00 0.00 C ATOM 259 NZ LYS A 17 3.821 -16.675 9.928 1.00 0.00 N ATOM 0 H LYS A 17 3.065 -10.699 8.132 1.00 0.00 H new ATOM 0 HA LYS A 17 1.524 -12.944 7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.029 -11.808 9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.703 -12.824 10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.512 -14.677 8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.822 -13.662 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.722 -13.479 10.713 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.383 -14.430 11.325 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.390 -15.419 9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.474 -15.801 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.304 -17.584 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.038 -16.584 10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.446 -16.638 8.959 1.00 0.00 H new ATOM 273 N LEU A 18 -0.199 -10.725 9.356 1.00 0.00 N ATOM 274 CA LEU A 18 -1.600 -10.397 9.765 1.00 0.00 C ATOM 275 C LEU A 18 -2.318 -9.706 8.589 1.00 0.00 C ATOM 276 O LEU A 18 -3.489 -9.923 8.350 1.00 0.00 O ATOM 277 CB LEU A 18 -1.545 -9.512 11.044 1.00 0.00 C ATOM 278 CG LEU A 18 -1.877 -8.034 10.754 1.00 0.00 C ATOM 279 CD1 LEU A 18 -3.392 -7.868 10.468 1.00 0.00 C ATOM 280 CD2 LEU A 18 -1.467 -7.193 11.972 1.00 0.00 C ATOM 0 H LEU A 18 0.491 -10.000 9.551 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.169 -11.295 10.006 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.247 -9.901 11.781 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.550 -9.578 11.485 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.330 -7.698 9.873 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.611 -6.820 10.265 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.667 -8.470 9.602 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.964 -8.197 11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.695 -6.144 11.783 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.017 -7.532 12.850 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.397 -7.306 12.148 1.00 0.00 H new ATOM 292 N ILE A 19 -1.624 -8.873 7.868 1.00 0.00 N ATOM 293 CA ILE A 19 -2.234 -8.148 6.722 1.00 0.00 C ATOM 294 C ILE A 19 -2.492 -9.124 5.567 1.00 0.00 C ATOM 295 O ILE A 19 -3.247 -8.830 4.661 1.00 0.00 O ATOM 296 CB ILE A 19 -1.227 -7.045 6.302 1.00 0.00 C ATOM 297 CG1 ILE A 19 -1.732 -5.656 6.711 1.00 0.00 C ATOM 298 CG2 ILE A 19 -0.948 -7.040 4.789 1.00 0.00 C ATOM 299 CD1 ILE A 19 -0.597 -4.630 6.568 1.00 0.00 C ATOM 0 H ILE A 19 -0.639 -8.660 8.029 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.192 -7.704 6.994 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.297 -7.276 6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.577 -5.367 6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.089 -5.677 7.741 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.237 -6.248 4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.531 -8.002 4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.878 -6.866 4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.959 -3.644 6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.235 -4.916 7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.261 -4.601 5.532 1.00 0.00 H new ATOM 311 N ASP A 20 -1.838 -10.257 5.578 1.00 0.00 N ATOM 312 CA ASP A 20 -1.996 -11.250 4.471 1.00 0.00 C ATOM 313 C ASP A 20 -3.439 -11.257 3.937 1.00 0.00 C ATOM 314 O ASP A 20 -3.669 -11.430 2.758 1.00 0.00 O ATOM 315 CB ASP A 20 -1.646 -12.648 4.989 1.00 0.00 C ATOM 316 CG ASP A 20 -0.134 -12.758 5.194 1.00 0.00 C ATOM 317 OD1 ASP A 20 0.572 -11.862 4.762 1.00 0.00 O ATOM 318 OD2 ASP A 20 0.294 -13.740 5.778 1.00 0.00 O ATOM 0 H ASP A 20 -1.193 -10.540 6.316 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.326 -10.969 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.165 -12.839 5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.983 -13.404 4.280 1.00 0.00 H new ATOM 323 N ASN A 21 -4.410 -11.064 4.798 1.00 0.00 N ATOM 324 CA ASN A 21 -5.834 -11.059 4.340 1.00 0.00 C ATOM 325 C ASN A 21 -6.726 -10.439 5.420 1.00 0.00 C ATOM 326 O ASN A 21 -7.921 -10.657 5.443 1.00 0.00 O ATOM 327 CB ASN A 21 -6.289 -12.501 4.076 1.00 0.00 C ATOM 328 CG ASN A 21 -5.755 -12.978 2.724 1.00 0.00 C ATOM 329 OD1 ASN A 21 -4.820 -13.751 2.666 1.00 0.00 O ATOM 330 ND2 ASN A 21 -6.314 -12.547 1.627 1.00 0.00 N ATOM 0 H ASN A 21 -4.277 -10.910 5.797 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.914 -10.472 3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.930 -13.156 4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.378 -12.555 4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.966 -12.859 0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.099 -11.898 1.676 1.00 0.00 H new ATOM 337 N ASN A 22 -6.170 -9.664 6.310 1.00 0.00 N ATOM 338 CA ASN A 22 -7.016 -9.042 7.366 1.00 0.00 C ATOM 339 C ASN A 22 -8.202 -8.341 6.703 1.00 0.00 C ATOM 340 O ASN A 22 -9.319 -8.417 7.178 1.00 0.00 O ATOM 341 CB ASN A 22 -6.195 -8.033 8.173 1.00 0.00 C ATOM 342 CG ASN A 22 -5.671 -6.933 7.251 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.638 -5.777 7.625 1.00 0.00 O ATOM 344 ND2 ASN A 22 -5.255 -7.241 6.053 1.00 0.00 N ATOM 0 H ASN A 22 -5.177 -9.436 6.352 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.378 -9.814 8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.810 -7.597 8.960 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.362 -8.537 8.662 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.903 -6.512 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.282 -8.211 5.737 1.00 0.00 H new ATOM 351 N LYS A 23 -7.969 -7.674 5.594 1.00 0.00 N ATOM 352 CA LYS A 23 -9.084 -6.975 4.868 1.00 0.00 C ATOM 353 C LYS A 23 -9.248 -7.584 3.466 1.00 0.00 C ATOM 354 O LYS A 23 -8.487 -8.436 3.052 1.00 0.00 O ATOM 355 CB LYS A 23 -8.796 -5.464 4.764 1.00 0.00 C ATOM 356 CG LYS A 23 -7.311 -5.211 4.525 1.00 0.00 C ATOM 357 CD LYS A 23 -6.831 -6.007 3.309 1.00 0.00 C ATOM 358 CE LYS A 23 -5.489 -5.460 2.861 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.019 -6.204 1.659 1.00 0.00 N ATOM 0 H LYS A 23 -7.051 -7.583 5.158 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.010 -7.109 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.379 -5.033 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.112 -4.965 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.137 -4.147 4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.739 -5.499 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.742 -7.064 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.557 -5.933 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.577 -4.398 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.760 -5.553 3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.099 -5.826 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.919 -7.213 1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.710 -6.093 0.890 1.00 0.00 H new ATOM 373 N THR A 24 -10.247 -7.150 2.742 1.00 0.00 N ATOM 374 CA THR A 24 -10.498 -7.676 1.363 1.00 0.00 C ATOM 375 C THR A 24 -10.598 -6.500 0.397 1.00 0.00 C ATOM 376 O THR A 24 -10.256 -5.388 0.733 1.00 0.00 O ATOM 377 CB THR A 24 -11.811 -8.453 1.349 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.880 -7.585 1.703 1.00 0.00 O ATOM 379 CG2 THR A 24 -11.720 -9.593 2.353 1.00 0.00 C ATOM 0 H THR A 24 -10.912 -6.441 3.052 1.00 0.00 H new ATOM 0 HA THR A 24 -9.683 -8.335 1.064 1.00 0.00 H new ATOM 0 HB THR A 24 -11.994 -8.855 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.724 -8.084 1.692 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.654 -10.155 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.898 -10.254 2.079 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.543 -9.187 3.349 1.00 0.00 H new ATOM 387 N GLU A 25 -11.058 -6.737 -0.805 1.00 0.00 N ATOM 388 CA GLU A 25 -11.176 -5.622 -1.803 1.00 0.00 C ATOM 389 C GLU A 25 -12.610 -5.087 -1.826 1.00 0.00 C ATOM 390 O GLU A 25 -12.912 -4.139 -2.523 1.00 0.00 O ATOM 391 CB GLU A 25 -10.795 -6.135 -3.198 1.00 0.00 C ATOM 392 CG GLU A 25 -11.295 -7.571 -3.379 1.00 0.00 C ATOM 393 CD GLU A 25 -10.358 -8.541 -2.653 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.204 -8.621 -3.040 1.00 0.00 O ATOM 395 OE2 GLU A 25 -10.812 -9.187 -1.722 1.00 0.00 O ATOM 0 H GLU A 25 -11.358 -7.652 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.501 -4.816 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.228 -5.491 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.713 -6.098 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.307 -7.666 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.340 -7.819 -4.439 1.00 0.00 H new ATOM 402 N LYS A 26 -13.494 -5.666 -1.064 1.00 0.00 N ATOM 403 CA LYS A 26 -14.893 -5.164 -1.044 1.00 0.00 C ATOM 404 C LYS A 26 -14.928 -3.958 -0.113 1.00 0.00 C ATOM 405 O LYS A 26 -15.621 -2.985 -0.346 1.00 0.00 O ATOM 406 CB LYS A 26 -15.832 -6.267 -0.526 1.00 0.00 C ATOM 407 CG LYS A 26 -15.349 -7.627 -1.018 1.00 0.00 C ATOM 408 CD LYS A 26 -15.290 -7.624 -2.545 1.00 0.00 C ATOM 409 CE LYS A 26 -14.973 -9.033 -3.026 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.101 -9.096 -4.509 1.00 0.00 N ATOM 0 H LYS A 26 -13.308 -6.463 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.223 -4.882 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.859 -6.253 0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.849 -6.084 -0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.364 -7.846 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.022 -8.411 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.241 -7.289 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.528 -6.926 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.963 -9.312 -2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.652 -9.748 -2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.884 -10.059 -4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.073 -8.848 -4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.436 -8.425 -4.944 1.00 0.00 H new ATOM 424 N GLU A 27 -14.157 -4.023 0.933 1.00 0.00 N ATOM 425 CA GLU A 27 -14.098 -2.898 1.895 1.00 0.00 C ATOM 426 C GLU A 27 -13.340 -1.735 1.249 1.00 0.00 C ATOM 427 O GLU A 27 -13.463 -0.596 1.654 1.00 0.00 O ATOM 428 CB GLU A 27 -13.362 -3.367 3.154 1.00 0.00 C ATOM 429 CG GLU A 27 -13.399 -2.275 4.226 1.00 0.00 C ATOM 430 CD GLU A 27 -14.841 -2.051 4.682 1.00 0.00 C ATOM 431 OE1 GLU A 27 -15.319 -2.837 5.483 1.00 0.00 O ATOM 432 OE2 GLU A 27 -15.445 -1.095 4.222 1.00 0.00 O ATOM 0 H GLU A 27 -13.560 -4.817 1.163 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.102 -2.570 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.824 -4.277 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.328 -3.612 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.779 -2.564 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.984 -1.348 3.830 1.00 0.00 H new ATOM 439 N ILE A 28 -12.558 -2.016 0.242 1.00 0.00 N ATOM 440 CA ILE A 28 -11.786 -0.941 -0.432 1.00 0.00 C ATOM 441 C ILE A 28 -12.599 -0.317 -1.563 1.00 0.00 C ATOM 442 O ILE A 28 -13.050 0.807 -1.469 1.00 0.00 O ATOM 443 CB ILE A 28 -10.526 -1.553 -1.035 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.709 -2.262 0.054 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.698 -0.452 -1.678 1.00 0.00 C ATOM 446 CD1 ILE A 28 -9.403 -1.310 1.213 1.00 0.00 C ATOM 0 H ILE A 28 -12.422 -2.951 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.543 -0.172 0.301 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.804 -2.288 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.261 -3.126 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.777 -2.636 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.795 -0.882 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.282 0.032 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.423 0.284 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.823 -1.835 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.831 -0.459 0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.337 -0.957 1.650 1.00 0.00 H new ATOM 458 N LEU A 29 -12.752 -1.029 -2.648 1.00 0.00 N ATOM 459 CA LEU A 29 -13.496 -0.476 -3.816 1.00 0.00 C ATOM 460 C LEU A 29 -14.757 0.254 -3.352 1.00 0.00 C ATOM 461 O LEU A 29 -15.146 1.252 -3.927 1.00 0.00 O ATOM 462 CB LEU A 29 -13.865 -1.609 -4.777 1.00 0.00 C ATOM 463 CG LEU A 29 -12.599 -2.381 -5.171 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.982 -3.550 -6.083 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.619 -1.448 -5.907 1.00 0.00 C ATOM 0 H LEU A 29 -12.391 -1.975 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.857 0.239 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.581 -2.281 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.347 -1.203 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.115 -2.762 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.085 -4.101 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.665 -4.215 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.469 -3.167 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.724 -2.005 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.095 -1.058 -6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.344 -0.620 -5.253 1.00 0.00 H new ATOM 477 N ASP A 30 -15.389 -0.201 -2.305 1.00 0.00 N ATOM 478 CA ASP A 30 -16.599 0.526 -1.835 1.00 0.00 C ATOM 479 C ASP A 30 -16.129 1.802 -1.136 1.00 0.00 C ATOM 480 O ASP A 30 -16.590 2.887 -1.434 1.00 0.00 O ATOM 481 CB ASP A 30 -17.421 -0.350 -0.877 1.00 0.00 C ATOM 482 CG ASP A 30 -16.705 -0.486 0.465 1.00 0.00 C ATOM 483 OD1 ASP A 30 -15.497 -0.597 0.453 1.00 0.00 O ATOM 484 OD2 ASP A 30 -17.381 -0.476 1.480 1.00 0.00 O ATOM 0 H ASP A 30 -15.127 -1.026 -1.766 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.244 0.773 -2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -18.407 0.090 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.575 -1.336 -1.316 1.00 0.00 H new ATOM 489 N ALA A 31 -15.188 1.681 -0.229 1.00 0.00 N ATOM 490 CA ALA A 31 -14.660 2.885 0.475 1.00 0.00 C ATOM 491 C ALA A 31 -14.412 3.999 -0.536 1.00 0.00 C ATOM 492 O ALA A 31 -14.586 5.165 -0.244 1.00 0.00 O ATOM 493 CB ALA A 31 -13.364 2.531 1.177 1.00 0.00 C ATOM 0 H ALA A 31 -14.764 0.797 0.052 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.388 3.225 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.977 3.410 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.548 1.738 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.634 2.190 0.443 1.00 0.00 H new ATOM 499 N PHE A 32 -14.033 3.654 -1.733 1.00 0.00 N ATOM 500 CA PHE A 32 -13.812 4.706 -2.754 1.00 0.00 C ATOM 501 C PHE A 32 -15.183 5.267 -3.140 1.00 0.00 C ATOM 502 O PHE A 32 -15.355 6.454 -3.321 1.00 0.00 O ATOM 503 CB PHE A 32 -13.106 4.110 -3.983 1.00 0.00 C ATOM 504 CG PHE A 32 -11.613 4.056 -3.741 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.808 5.143 -4.104 1.00 0.00 C ATOM 506 CD2 PHE A 32 -11.033 2.918 -3.164 1.00 0.00 C ATOM 507 CE1 PHE A 32 -9.425 5.095 -3.888 1.00 0.00 C ATOM 508 CE2 PHE A 32 -9.647 2.873 -2.952 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.847 3.959 -3.313 1.00 0.00 C ATOM 0 H PHE A 32 -13.868 2.697 -2.045 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.176 5.499 -2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.488 3.109 -4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.319 4.714 -4.865 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.254 6.019 -4.551 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.651 2.078 -2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.805 5.935 -4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.198 1.997 -2.509 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.780 3.922 -3.148 1.00 0.00 H new ATOM 519 N ASP A 33 -16.177 4.427 -3.233 1.00 0.00 N ATOM 520 CA ASP A 33 -17.528 4.938 -3.570 1.00 0.00 C ATOM 521 C ASP A 33 -18.033 5.761 -2.387 1.00 0.00 C ATOM 522 O ASP A 33 -19.127 6.290 -2.400 1.00 0.00 O ATOM 523 CB ASP A 33 -18.478 3.768 -3.833 1.00 0.00 C ATOM 524 CG ASP A 33 -19.864 4.306 -4.194 1.00 0.00 C ATOM 525 OD1 ASP A 33 -20.607 4.631 -3.284 1.00 0.00 O ATOM 526 OD2 ASP A 33 -20.157 4.383 -5.377 1.00 0.00 O ATOM 0 H ASP A 33 -16.110 3.419 -3.091 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.484 5.555 -4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.094 3.149 -4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.542 3.132 -2.950 1.00 0.00 H new ATOM 531 N LYS A 34 -17.223 5.873 -1.363 1.00 0.00 N ATOM 532 CA LYS A 34 -17.604 6.665 -0.150 1.00 0.00 C ATOM 533 C LYS A 34 -16.627 7.834 0.009 1.00 0.00 C ATOM 534 O LYS A 34 -16.964 8.986 -0.183 1.00 0.00 O ATOM 535 CB LYS A 34 -17.482 5.765 1.095 1.00 0.00 C ATOM 536 CG LYS A 34 -18.703 4.810 1.231 1.00 0.00 C ATOM 537 CD LYS A 34 -18.239 3.354 1.414 1.00 0.00 C ATOM 538 CE LYS A 34 -17.559 3.198 2.778 1.00 0.00 C ATOM 539 NZ LYS A 34 -18.589 2.911 3.816 1.00 0.00 N ATOM 0 H LYS A 34 -16.299 5.443 -1.315 1.00 0.00 H new ATOM 0 HA LYS A 34 -18.625 7.032 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.565 5.178 1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.403 6.386 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.314 5.112 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -19.332 4.887 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.091 2.678 1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.547 3.080 0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.828 2.390 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.015 4.108 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.128 2.805 4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.270 3.696 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.089 2.031 3.575 1.00 0.00 H new ATOM 553 N MET A 35 -15.416 7.522 0.373 1.00 0.00 N ATOM 554 CA MET A 35 -14.373 8.565 0.575 1.00 0.00 C ATOM 555 C MET A 35 -14.102 9.280 -0.755 1.00 0.00 C ATOM 556 O MET A 35 -14.088 10.493 -0.824 1.00 0.00 O ATOM 557 CB MET A 35 -13.117 7.855 1.148 1.00 0.00 C ATOM 558 CG MET A 35 -11.795 8.325 0.506 1.00 0.00 C ATOM 559 SD MET A 35 -10.459 7.224 1.036 1.00 0.00 S ATOM 560 CE MET A 35 -11.067 5.717 0.227 1.00 0.00 C ATOM 0 H MET A 35 -15.099 6.568 0.543 1.00 0.00 H new ATOM 0 HA MET A 35 -14.690 9.334 1.279 1.00 0.00 H new ATOM 0 HB2 MET A 35 -13.071 8.028 2.223 1.00 0.00 H new ATOM 0 HB3 MET A 35 -13.220 6.780 1.003 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.880 8.317 -0.581 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.577 9.351 0.801 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.232 5.188 -0.232 1.00 0.00 H new ATOM 0 HE2 MET A 35 -11.542 5.073 0.967 1.00 0.00 H new ATOM 0 HE3 MET A 35 -11.793 5.984 -0.541 1.00 0.00 H new ATOM 570 N CYS A 36 -13.892 8.542 -1.812 1.00 0.00 N ATOM 571 CA CYS A 36 -13.629 9.190 -3.127 1.00 0.00 C ATOM 572 C CYS A 36 -14.979 9.561 -3.748 1.00 0.00 C ATOM 573 O CYS A 36 -15.095 9.820 -4.930 1.00 0.00 O ATOM 574 CB CYS A 36 -12.846 8.217 -4.022 1.00 0.00 C ATOM 575 SG CYS A 36 -12.711 8.886 -5.698 1.00 0.00 S ATOM 0 H CYS A 36 -13.891 7.522 -1.821 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.029 10.093 -3.012 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.852 8.049 -3.608 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.348 7.250 -4.047 1.00 0.00 H new ATOM 580 N SER A 37 -16.002 9.605 -2.932 1.00 0.00 N ATOM 581 CA SER A 37 -17.360 9.975 -3.426 1.00 0.00 C ATOM 582 C SER A 37 -17.535 11.491 -3.298 1.00 0.00 C ATOM 583 O SER A 37 -17.858 12.179 -4.246 1.00 0.00 O ATOM 584 CB SER A 37 -18.418 9.271 -2.570 1.00 0.00 C ATOM 585 OG SER A 37 -18.787 10.112 -1.484 1.00 0.00 O ATOM 0 H SER A 37 -15.952 9.398 -1.935 1.00 0.00 H new ATOM 0 HA SER A 37 -17.473 9.673 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.293 9.036 -3.175 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.027 8.325 -2.195 1.00 0.00 H new ATOM 0 HG SER A 37 -18.183 9.955 -0.728 1.00 0.00 H new ATOM 591 N LYS A 38 -17.320 12.005 -2.120 1.00 0.00 N ATOM 592 CA LYS A 38 -17.462 13.470 -1.886 1.00 0.00 C ATOM 593 C LYS A 38 -16.497 14.239 -2.791 1.00 0.00 C ATOM 594 O LYS A 38 -16.701 15.399 -3.089 1.00 0.00 O ATOM 595 CB LYS A 38 -17.131 13.775 -0.421 1.00 0.00 C ATOM 596 CG LYS A 38 -15.745 13.210 -0.077 1.00 0.00 C ATOM 597 CD LYS A 38 -15.522 13.279 1.434 1.00 0.00 C ATOM 598 CE LYS A 38 -14.046 13.024 1.744 1.00 0.00 C ATOM 599 NZ LYS A 38 -13.840 13.018 3.219 1.00 0.00 N ATOM 0 H LYS A 38 -17.048 11.466 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.484 13.775 -2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.149 14.851 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.886 13.336 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.667 12.178 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.971 13.777 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.820 14.257 1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.144 12.539 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.734 12.070 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.429 13.795 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.836 12.845 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.122 13.938 3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.418 12.267 3.647 1.00 0.00 H new ATOM 613 N LEU A 39 -15.438 13.604 -3.213 1.00 0.00 N ATOM 614 CA LEU A 39 -14.436 14.294 -4.087 1.00 0.00 C ATOM 615 C LEU A 39 -15.175 15.105 -5.184 1.00 0.00 C ATOM 616 O LEU A 39 -16.222 14.679 -5.631 1.00 0.00 O ATOM 617 CB LEU A 39 -13.524 13.217 -4.757 1.00 0.00 C ATOM 618 CG LEU A 39 -12.007 13.459 -4.460 1.00 0.00 C ATOM 619 CD1 LEU A 39 -11.462 12.345 -3.562 1.00 0.00 C ATOM 620 CD2 LEU A 39 -11.218 13.478 -5.774 1.00 0.00 C ATOM 0 H LEU A 39 -15.219 12.633 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.828 14.973 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.809 12.228 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.687 13.225 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.898 14.417 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.406 12.523 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.013 12.334 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.579 11.384 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.162 13.647 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.337 12.522 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.593 14.279 -6.412 1.00 0.00 H new ATOM 632 N PRO A 40 -14.613 16.225 -5.624 1.00 0.00 N ATOM 633 CA PRO A 40 -15.249 17.011 -6.694 1.00 0.00 C ATOM 634 C PRO A 40 -15.435 16.110 -7.923 1.00 0.00 C ATOM 635 O PRO A 40 -14.517 15.435 -8.344 1.00 0.00 O ATOM 636 CB PRO A 40 -14.265 18.170 -6.983 1.00 0.00 C ATOM 637 CG PRO A 40 -13.104 18.066 -5.956 1.00 0.00 C ATOM 638 CD PRO A 40 -13.342 16.795 -5.114 1.00 0.00 C ATOM 0 HA PRO A 40 -16.232 17.397 -6.424 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.883 18.103 -8.002 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.770 19.132 -6.895 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -12.143 18.012 -6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -13.076 18.949 -5.318 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.520 16.088 -5.226 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.415 17.033 -4.053 1.00 0.00 H new ATOM 646 N LYS A 41 -16.617 16.090 -8.481 1.00 0.00 N ATOM 647 CA LYS A 41 -16.899 15.230 -9.670 1.00 0.00 C ATOM 648 C LYS A 41 -15.694 15.153 -10.607 1.00 0.00 C ATOM 649 O LYS A 41 -15.304 14.091 -11.051 1.00 0.00 O ATOM 650 CB LYS A 41 -18.077 15.825 -10.429 1.00 0.00 C ATOM 651 CG LYS A 41 -18.510 14.874 -11.538 1.00 0.00 C ATOM 652 CD LYS A 41 -19.716 15.469 -12.278 1.00 0.00 C ATOM 653 CE LYS A 41 -20.519 14.347 -12.927 1.00 0.00 C ATOM 654 NZ LYS A 41 -21.545 14.924 -13.840 1.00 0.00 N ATOM 0 H LYS A 41 -17.412 16.642 -8.158 1.00 0.00 H new ATOM 0 HA LYS A 41 -17.123 14.222 -9.322 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.908 16.005 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.798 16.790 -10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.687 14.710 -12.234 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.770 13.902 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.345 16.025 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.378 16.175 -13.037 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.854 13.686 -13.483 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.001 13.741 -12.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.090 14.155 -14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.187 15.537 -13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.076 15.483 -14.580 1.00 0.00 H new ATOM 668 N SER A 42 -15.116 16.267 -10.920 1.00 0.00 N ATOM 669 CA SER A 42 -13.945 16.269 -11.841 1.00 0.00 C ATOM 670 C SER A 42 -12.900 15.262 -11.367 1.00 0.00 C ATOM 671 O SER A 42 -12.571 14.315 -12.059 1.00 0.00 O ATOM 672 CB SER A 42 -13.318 17.661 -11.852 1.00 0.00 C ATOM 673 OG SER A 42 -14.302 18.619 -12.220 1.00 0.00 O ATOM 0 H SER A 42 -15.401 17.185 -10.579 1.00 0.00 H new ATOM 0 HA SER A 42 -14.281 15.997 -12.842 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.914 17.898 -10.868 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.485 17.691 -12.554 1.00 0.00 H new ATOM 0 HG SER A 42 -13.902 19.513 -12.226 1.00 0.00 H new ATOM 679 N LEU A 43 -12.365 15.457 -10.195 1.00 0.00 N ATOM 680 CA LEU A 43 -11.333 14.514 -9.689 1.00 0.00 C ATOM 681 C LEU A 43 -12.011 13.276 -9.102 1.00 0.00 C ATOM 682 O LEU A 43 -11.347 12.359 -8.679 1.00 0.00 O ATOM 683 CB LEU A 43 -10.482 15.196 -8.610 1.00 0.00 C ATOM 684 CG LEU A 43 -9.379 16.037 -9.253 1.00 0.00 C ATOM 685 CD1 LEU A 43 -9.998 17.244 -9.952 1.00 0.00 C ATOM 686 CD2 LEU A 43 -8.417 16.503 -8.161 1.00 0.00 C ATOM 0 H LEU A 43 -12.598 16.227 -9.568 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.688 14.216 -10.516 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.113 15.829 -7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.040 14.443 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.838 15.443 -9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.211 17.843 -10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.689 16.903 -10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.537 17.850 -9.223 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.625 17.104 -8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.960 17.102 -7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.980 15.635 -7.667 1.00 0.00 H new ATOM 698 N SER A 44 -13.320 13.222 -9.098 1.00 0.00 N ATOM 699 CA SER A 44 -14.000 12.013 -8.567 1.00 0.00 C ATOM 700 C SER A 44 -14.016 11.014 -9.707 1.00 0.00 C ATOM 701 O SER A 44 -14.093 9.814 -9.521 1.00 0.00 O ATOM 702 CB SER A 44 -15.436 12.344 -8.135 1.00 0.00 C ATOM 703 OG SER A 44 -16.334 12.058 -9.202 1.00 0.00 O ATOM 0 H SER A 44 -13.938 13.959 -9.438 1.00 0.00 H new ATOM 0 HA SER A 44 -13.484 11.621 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.705 11.761 -7.254 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.509 13.395 -7.856 1.00 0.00 H new ATOM 0 HG SER A 44 -16.079 12.578 -9.992 1.00 0.00 H new ATOM 709 N GLU A 45 -13.918 11.528 -10.904 1.00 0.00 N ATOM 710 CA GLU A 45 -13.905 10.659 -12.097 1.00 0.00 C ATOM 711 C GLU A 45 -12.477 10.167 -12.319 1.00 0.00 C ATOM 712 O GLU A 45 -12.243 9.022 -12.653 1.00 0.00 O ATOM 713 CB GLU A 45 -14.373 11.454 -13.318 1.00 0.00 C ATOM 714 CG GLU A 45 -15.874 11.732 -13.202 1.00 0.00 C ATOM 715 CD GLU A 45 -16.652 10.431 -13.400 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.530 9.847 -14.464 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.357 10.040 -12.484 1.00 0.00 O ATOM 0 H GLU A 45 -13.846 12.527 -11.099 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.575 9.811 -11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.823 12.392 -13.387 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.165 10.895 -14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.101 12.158 -12.225 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.177 12.466 -13.948 1.00 0.00 H new ATOM 724 N GLU A 46 -11.515 11.031 -12.123 1.00 0.00 N ATOM 725 CA GLU A 46 -10.097 10.621 -12.312 1.00 0.00 C ATOM 726 C GLU A 46 -9.618 9.863 -11.072 1.00 0.00 C ATOM 727 O GLU A 46 -8.620 9.168 -11.102 1.00 0.00 O ATOM 728 CB GLU A 46 -9.229 11.865 -12.519 1.00 0.00 C ATOM 729 CG GLU A 46 -9.446 12.413 -13.931 1.00 0.00 C ATOM 730 CD GLU A 46 -10.918 12.788 -14.113 1.00 0.00 C ATOM 731 OE1 GLU A 46 -11.707 11.896 -14.381 1.00 0.00 O ATOM 732 OE2 GLU A 46 -11.232 13.959 -13.982 1.00 0.00 O ATOM 0 H GLU A 46 -11.653 12.001 -11.840 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.018 9.975 -13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.483 12.625 -11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.178 11.616 -12.372 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.815 13.286 -14.095 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.156 11.667 -14.671 1.00 0.00 H new ATOM 739 N CYS A 47 -10.325 9.987 -9.981 1.00 0.00 N ATOM 740 CA CYS A 47 -9.918 9.271 -8.737 1.00 0.00 C ATOM 741 C CYS A 47 -10.372 7.814 -8.838 1.00 0.00 C ATOM 742 O CYS A 47 -9.686 6.907 -8.410 1.00 0.00 O ATOM 743 CB CYS A 47 -10.589 9.945 -7.535 1.00 0.00 C ATOM 744 SG CYS A 47 -10.739 8.802 -6.136 1.00 0.00 S ATOM 0 H CYS A 47 -11.169 10.554 -9.897 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.836 9.306 -8.613 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.009 10.817 -7.234 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -11.578 10.304 -7.822 1.00 0.00 H new ATOM 749 N GLN A 48 -11.517 7.583 -9.422 1.00 0.00 N ATOM 750 CA GLN A 48 -12.008 6.195 -9.570 1.00 0.00 C ATOM 751 C GLN A 48 -11.305 5.604 -10.776 1.00 0.00 C ATOM 752 O GLN A 48 -11.272 4.406 -10.978 1.00 0.00 O ATOM 753 CB GLN A 48 -13.522 6.206 -9.802 1.00 0.00 C ATOM 754 CG GLN A 48 -14.246 6.409 -8.468 1.00 0.00 C ATOM 755 CD GLN A 48 -14.214 5.108 -7.663 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.512 4.180 -8.013 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.951 5.000 -6.591 1.00 0.00 N ATOM 0 H GLN A 48 -12.131 8.303 -9.802 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.804 5.608 -8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.788 7.003 -10.496 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.837 5.268 -10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.770 7.210 -7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.277 6.713 -8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.540 5.779 -6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.937 4.137 -6.048 1.00 0.00 H new ATOM 766 N GLU A 49 -10.730 6.455 -11.578 1.00 0.00 N ATOM 767 CA GLU A 49 -10.016 5.974 -12.768 1.00 0.00 C ATOM 768 C GLU A 49 -8.758 5.232 -12.316 1.00 0.00 C ATOM 769 O GLU A 49 -8.503 4.109 -12.713 1.00 0.00 O ATOM 770 CB GLU A 49 -9.632 7.171 -13.639 1.00 0.00 C ATOM 771 CG GLU A 49 -9.060 6.678 -14.964 1.00 0.00 C ATOM 772 CD GLU A 49 -10.171 6.031 -15.794 1.00 0.00 C ATOM 773 OE1 GLU A 49 -11.291 6.508 -15.725 1.00 0.00 O ATOM 774 OE2 GLU A 49 -9.882 5.068 -16.485 1.00 0.00 O ATOM 0 H GLU A 49 -10.730 7.467 -11.451 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.649 5.301 -13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.506 7.797 -13.819 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.898 7.789 -13.122 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.619 7.510 -15.513 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.262 5.958 -14.782 1.00 0.00 H new ATOM 781 N VAL A 50 -7.970 5.848 -11.475 1.00 0.00 N ATOM 782 CA VAL A 50 -6.739 5.171 -10.994 1.00 0.00 C ATOM 783 C VAL A 50 -7.122 3.920 -10.208 1.00 0.00 C ATOM 784 O VAL A 50 -6.503 2.894 -10.348 1.00 0.00 O ATOM 785 CB VAL A 50 -5.935 6.100 -10.092 1.00 0.00 C ATOM 786 CG1 VAL A 50 -4.613 5.412 -9.747 1.00 0.00 C ATOM 787 CG2 VAL A 50 -5.659 7.415 -10.824 1.00 0.00 C ATOM 0 H VAL A 50 -8.127 6.785 -11.104 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.130 4.900 -11.857 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.493 6.316 -9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.022 6.062 -9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.815 4.474 -9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.058 5.210 -10.663 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.084 8.078 -10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.092 7.213 -11.733 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.604 7.892 -11.084 1.00 0.00 H new ATOM 797 N VAL A 51 -8.145 3.993 -9.390 1.00 0.00 N ATOM 798 CA VAL A 51 -8.576 2.790 -8.604 1.00 0.00 C ATOM 799 C VAL A 51 -8.587 1.579 -9.536 1.00 0.00 C ATOM 800 O VAL A 51 -7.936 0.585 -9.281 1.00 0.00 O ATOM 801 CB VAL A 51 -9.983 3.044 -8.046 1.00 0.00 C ATOM 802 CG1 VAL A 51 -10.573 1.755 -7.470 1.00 0.00 C ATOM 803 CG2 VAL A 51 -9.904 4.098 -6.938 1.00 0.00 C ATOM 0 H VAL A 51 -8.701 4.833 -9.232 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.892 2.602 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.623 3.395 -8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.571 1.954 -7.079 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.635 1.001 -8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.934 1.390 -6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.901 4.282 -6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.254 3.739 -6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.500 5.025 -7.346 1.00 0.00 H new ATOM 813 N ASP A 52 -9.288 1.664 -10.634 1.00 0.00 N ATOM 814 CA ASP A 52 -9.290 0.525 -11.590 1.00 0.00 C ATOM 815 C ASP A 52 -7.832 0.161 -11.879 1.00 0.00 C ATOM 816 O ASP A 52 -7.483 -0.991 -12.040 1.00 0.00 O ATOM 817 CB ASP A 52 -9.986 0.940 -12.888 1.00 0.00 C ATOM 818 CG ASP A 52 -11.439 1.314 -12.589 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.979 0.792 -11.627 1.00 0.00 O ATOM 820 OD2 ASP A 52 -11.989 2.116 -13.326 1.00 0.00 O ATOM 0 H ASP A 52 -9.855 2.467 -10.907 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.823 -0.328 -11.169 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.466 1.786 -13.338 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.950 0.124 -13.610 1.00 0.00 H new ATOM 825 N THR A 53 -6.973 1.151 -11.918 1.00 0.00 N ATOM 826 CA THR A 53 -5.528 0.885 -12.163 1.00 0.00 C ATOM 827 C THR A 53 -4.854 0.498 -10.841 1.00 0.00 C ATOM 828 O THR A 53 -3.843 -0.176 -10.825 1.00 0.00 O ATOM 829 CB THR A 53 -4.871 2.116 -12.797 1.00 0.00 C ATOM 830 OG1 THR A 53 -5.502 2.384 -14.042 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.380 1.854 -13.036 1.00 0.00 C ATOM 0 H THR A 53 -7.215 2.134 -11.790 1.00 0.00 H new ATOM 0 HA THR A 53 -5.412 0.055 -12.860 1.00 0.00 H new ATOM 0 HB THR A 53 -4.980 2.968 -12.126 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.090 3.171 -14.455 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.923 2.735 -13.487 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.892 1.638 -12.086 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.263 1.002 -13.706 1.00 0.00 H new ATOM 839 N TYR A 54 -5.420 0.908 -9.730 1.00 0.00 N ATOM 840 CA TYR A 54 -4.841 0.567 -8.393 1.00 0.00 C ATOM 841 C TYR A 54 -5.955 0.016 -7.507 1.00 0.00 C ATOM 842 O TYR A 54 -6.445 0.696 -6.628 1.00 0.00 O ATOM 843 CB TYR A 54 -4.276 1.815 -7.717 1.00 0.00 C ATOM 844 CG TYR A 54 -3.017 2.255 -8.416 1.00 0.00 C ATOM 845 CD1 TYR A 54 -3.100 2.757 -9.704 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.782 2.188 -7.767 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.959 3.199 -10.367 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.627 2.633 -8.421 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.715 3.142 -9.726 1.00 0.00 C ATOM 850 OH TYR A 54 0.422 3.581 -10.375 1.00 0.00 O ATOM 0 H TYR A 54 -6.269 1.472 -9.694 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.044 -0.163 -8.531 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.014 2.617 -7.741 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.065 1.606 -6.668 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.059 2.806 -10.198 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.718 1.794 -6.763 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.033 3.585 -11.373 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.330 2.585 -7.922 1.00 0.00 H new ATOM 0 HH TYR A 54 1.198 3.471 -9.786 1.00 0.00 H new ATOM 860 N GLY A 55 -6.367 -1.201 -7.731 1.00 0.00 N ATOM 861 CA GLY A 55 -7.461 -1.796 -6.900 1.00 0.00 C ATOM 862 C GLY A 55 -7.132 -3.249 -6.564 1.00 0.00 C ATOM 863 O GLY A 55 -6.789 -3.569 -5.453 1.00 0.00 O ATOM 0 H GLY A 55 -5.994 -1.814 -8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.585 -1.221 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.407 -1.744 -7.439 1.00 0.00 H new ATOM 867 N SER A 56 -7.248 -4.140 -7.499 1.00 0.00 N ATOM 868 CA SER A 56 -6.948 -5.565 -7.187 1.00 0.00 C ATOM 869 C SER A 56 -5.431 -5.770 -7.088 1.00 0.00 C ATOM 870 O SER A 56 -4.961 -6.744 -6.533 1.00 0.00 O ATOM 871 CB SER A 56 -7.516 -6.453 -8.294 1.00 0.00 C ATOM 872 OG SER A 56 -7.313 -5.821 -9.551 1.00 0.00 O ATOM 0 H SER A 56 -7.535 -3.951 -8.459 1.00 0.00 H new ATOM 0 HA SER A 56 -7.404 -5.831 -6.233 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.028 -7.428 -8.281 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.579 -6.626 -8.128 1.00 0.00 H new ATOM 0 HG SER A 56 -7.674 -6.388 -10.264 1.00 0.00 H new ATOM 878 N SER A 57 -4.662 -4.855 -7.608 1.00 0.00 N ATOM 879 CA SER A 57 -3.177 -4.991 -7.537 1.00 0.00 C ATOM 880 C SER A 57 -2.701 -4.354 -6.244 1.00 0.00 C ATOM 881 O SER A 57 -2.333 -5.037 -5.325 1.00 0.00 O ATOM 882 CB SER A 57 -2.514 -4.283 -8.721 1.00 0.00 C ATOM 883 OG SER A 57 -2.824 -4.981 -9.920 1.00 0.00 O ATOM 0 H SER A 57 -4.997 -4.016 -8.081 1.00 0.00 H new ATOM 0 HA SER A 57 -2.908 -6.047 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.864 -3.253 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.434 -4.244 -8.578 1.00 0.00 H new ATOM 0 HG SER A 57 -2.402 -4.529 -10.680 1.00 0.00 H new ATOM 889 N ILE A 58 -2.728 -3.046 -6.174 1.00 0.00 N ATOM 890 CA ILE A 58 -2.294 -2.311 -4.941 1.00 0.00 C ATOM 891 C ILE A 58 -2.540 -3.158 -3.692 1.00 0.00 C ATOM 892 O ILE A 58 -1.689 -3.287 -2.834 1.00 0.00 O ATOM 893 CB ILE A 58 -3.110 -1.021 -4.858 1.00 0.00 C ATOM 894 CG1 ILE A 58 -2.648 -0.165 -3.663 1.00 0.00 C ATOM 895 CG2 ILE A 58 -4.601 -1.342 -4.709 1.00 0.00 C ATOM 896 CD1 ILE A 58 -3.669 0.956 -3.414 1.00 0.00 C ATOM 0 H ILE A 58 -3.039 -2.443 -6.935 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.227 -2.094 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.953 -0.460 -5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.549 -0.786 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.665 0.261 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.169 -0.414 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.937 -1.920 -5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.759 -1.921 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.344 1.563 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.745 1.583 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.643 0.519 -3.194 1.00 0.00 H new ATOM 908 N LEU A 59 -3.698 -3.734 -3.590 1.00 0.00 N ATOM 909 CA LEU A 59 -3.997 -4.577 -2.393 1.00 0.00 C ATOM 910 C LEU A 59 -3.265 -5.920 -2.498 1.00 0.00 C ATOM 911 O LEU A 59 -2.772 -6.438 -1.520 1.00 0.00 O ATOM 912 CB LEU A 59 -5.500 -4.873 -2.281 1.00 0.00 C ATOM 913 CG LEU A 59 -6.312 -3.605 -2.484 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.795 -3.961 -2.561 1.00 0.00 C ATOM 915 CD2 LEU A 59 -6.052 -2.628 -1.329 1.00 0.00 C ATOM 0 H LEU A 59 -4.450 -3.663 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.666 -4.021 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.786 -5.617 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.720 -5.299 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.014 -3.124 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.380 -3.053 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.963 -4.639 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.102 -4.445 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.637 -1.721 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.342 -3.093 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.992 -2.375 -1.298 1.00 0.00 H new ATOM 927 N SER A 60 -3.224 -6.505 -3.671 1.00 0.00 N ATOM 928 CA SER A 60 -2.552 -7.839 -3.826 1.00 0.00 C ATOM 929 C SER A 60 -1.086 -7.665 -4.240 1.00 0.00 C ATOM 930 O SER A 60 -0.382 -8.628 -4.470 1.00 0.00 O ATOM 931 CB SER A 60 -3.282 -8.643 -4.902 1.00 0.00 C ATOM 932 OG SER A 60 -4.669 -8.683 -4.595 1.00 0.00 O ATOM 0 H SER A 60 -3.625 -6.120 -4.526 1.00 0.00 H new ATOM 0 HA SER A 60 -2.586 -8.362 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.127 -8.188 -5.880 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.879 -9.655 -4.953 1.00 0.00 H new ATOM 0 HG SER A 60 -5.146 -8.030 -5.149 1.00 0.00 H new ATOM 938 N ILE A 61 -0.628 -6.453 -4.366 1.00 0.00 N ATOM 939 CA ILE A 61 0.778 -6.221 -4.799 1.00 0.00 C ATOM 940 C ILE A 61 1.734 -6.424 -3.611 1.00 0.00 C ATOM 941 O ILE A 61 2.554 -7.316 -3.629 1.00 0.00 O ATOM 942 CB ILE A 61 0.863 -4.799 -5.431 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.854 -4.777 -6.603 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.253 -3.720 -4.419 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.285 -4.962 -6.109 1.00 0.00 C ATOM 0 H ILE A 61 -1.169 -5.607 -4.187 1.00 0.00 H new ATOM 0 HA ILE A 61 1.087 -6.941 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.140 -4.570 -5.791 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.604 -5.568 -7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.769 -3.831 -7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.296 -2.752 -4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.511 -3.684 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.230 -3.954 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.968 -4.943 -6.958 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.539 -4.156 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.372 -5.919 -5.595 1.00 0.00 H new ATOM 957 N LEU A 62 1.637 -5.633 -2.584 1.00 0.00 N ATOM 958 CA LEU A 62 2.557 -5.816 -1.418 1.00 0.00 C ATOM 959 C LEU A 62 2.370 -7.209 -0.830 1.00 0.00 C ATOM 960 O LEU A 62 3.080 -7.618 0.067 1.00 0.00 O ATOM 961 CB LEU A 62 2.273 -4.751 -0.360 1.00 0.00 C ATOM 962 CG LEU A 62 2.522 -3.364 -0.964 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.120 -2.286 0.045 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.999 -3.197 -1.358 1.00 0.00 C ATOM 0 H LEU A 62 0.966 -4.870 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 62 3.589 -5.710 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.243 -4.831 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.914 -4.903 0.508 1.00 0.00 H new ATOM 0 HG LEU A 62 1.917 -3.260 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.297 -1.300 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.063 -2.391 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.713 -2.398 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.152 -2.206 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.627 -3.313 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.267 -3.954 -2.095 1.00 0.00 H new ATOM 976 N LEU A 63 1.404 -7.934 -1.313 1.00 0.00 N ATOM 977 CA LEU A 63 1.139 -9.287 -0.783 1.00 0.00 C ATOM 978 C LEU A 63 2.019 -10.329 -1.484 1.00 0.00 C ATOM 979 O LEU A 63 2.628 -11.157 -0.836 1.00 0.00 O ATOM 980 CB LEU A 63 -0.326 -9.613 -1.053 1.00 0.00 C ATOM 981 CG LEU A 63 -1.273 -8.775 -0.159 1.00 0.00 C ATOM 982 CD1 LEU A 63 -1.445 -9.448 1.206 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.766 -7.338 0.054 1.00 0.00 C ATOM 0 H LEU A 63 0.780 -7.638 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 63 1.362 -9.311 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.554 -9.424 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.502 -10.674 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.229 -8.721 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.113 -8.849 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.870 -10.442 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.475 -9.532 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.467 -6.795 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.212 -7.365 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.683 -6.835 -0.909 1.00 0.00 H new ATOM 995 N GLU A 64 2.063 -10.331 -2.804 1.00 0.00 N ATOM 996 CA GLU A 64 2.877 -11.370 -3.529 1.00 0.00 C ATOM 997 C GLU A 64 3.764 -10.766 -4.614 1.00 0.00 C ATOM 998 O GLU A 64 4.963 -10.960 -4.610 1.00 0.00 O ATOM 999 CB GLU A 64 1.924 -12.357 -4.190 1.00 0.00 C ATOM 1000 CG GLU A 64 1.104 -13.078 -3.118 1.00 0.00 C ATOM 1001 CD GLU A 64 2.020 -13.991 -2.303 1.00 0.00 C ATOM 1002 OE1 GLU A 64 2.884 -14.615 -2.898 1.00 0.00 O ATOM 1003 OE2 GLU A 64 1.844 -14.051 -1.098 1.00 0.00 O ATOM 0 H GLU A 64 1.576 -9.665 -3.404 1.00 0.00 H new ATOM 0 HA GLU A 64 3.523 -11.853 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.261 -11.832 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.486 -13.081 -4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.622 -12.351 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.311 -13.663 -3.584 1.00 0.00 H new ATOM 1010 N GLU A 65 3.205 -10.053 -5.557 1.00 0.00 N ATOM 1011 CA GLU A 65 4.058 -9.471 -6.638 1.00 0.00 C ATOM 1012 C GLU A 65 5.235 -8.753 -5.996 1.00 0.00 C ATOM 1013 O GLU A 65 6.204 -8.392 -6.632 1.00 0.00 O ATOM 1014 CB GLU A 65 3.232 -8.495 -7.479 1.00 0.00 C ATOM 1015 CG GLU A 65 1.966 -9.196 -7.968 1.00 0.00 C ATOM 1016 CD GLU A 65 2.345 -10.348 -8.901 1.00 0.00 C ATOM 1017 OE1 GLU A 65 2.744 -10.069 -10.020 1.00 0.00 O ATOM 1018 OE2 GLU A 65 2.229 -11.488 -8.483 1.00 0.00 O ATOM 0 H GLU A 65 2.208 -9.850 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 65 4.427 -10.261 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.970 -7.618 -6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.818 -8.143 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.397 -9.575 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.325 -8.487 -8.491 1.00 0.00 H new ATOM 1025 N VAL A 66 5.129 -8.556 -4.724 1.00 0.00 N ATOM 1026 CA VAL A 66 6.182 -7.874 -3.944 1.00 0.00 C ATOM 1027 C VAL A 66 6.311 -8.569 -2.581 1.00 0.00 C ATOM 1028 O VAL A 66 5.329 -8.936 -1.966 1.00 0.00 O ATOM 1029 CB VAL A 66 5.724 -6.425 -3.782 1.00 0.00 C ATOM 1030 CG1 VAL A 66 6.291 -5.780 -2.521 1.00 0.00 C ATOM 1031 CG2 VAL A 66 6.134 -5.637 -5.014 1.00 0.00 C ATOM 0 H VAL A 66 4.324 -8.851 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 66 7.156 -7.909 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 66 4.639 -6.417 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.938 -4.751 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.960 -6.340 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.380 -5.788 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.811 -4.601 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.218 -5.670 -5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.667 -6.073 -5.897 1.00 0.00 H new ATOM 1041 N SER A 67 7.514 -8.737 -2.100 1.00 0.00 N ATOM 1042 CA SER A 67 7.710 -9.389 -0.768 1.00 0.00 C ATOM 1043 C SER A 67 7.781 -8.285 0.299 1.00 0.00 C ATOM 1044 O SER A 67 7.996 -7.142 -0.038 1.00 0.00 O ATOM 1045 CB SER A 67 9.023 -10.195 -0.789 1.00 0.00 C ATOM 1046 OG SER A 67 9.836 -9.826 0.318 1.00 0.00 O ATOM 0 H SER A 67 8.372 -8.451 -2.571 1.00 0.00 H new ATOM 0 HA SER A 67 6.886 -10.066 -0.543 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.805 -11.262 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.558 -10.011 -1.721 1.00 0.00 H new ATOM 0 HG SER A 67 10.455 -10.556 0.527 1.00 0.00 H new ATOM 1052 N PRO A 68 7.601 -8.639 1.553 1.00 0.00 N ATOM 1053 CA PRO A 68 7.654 -7.646 2.645 1.00 0.00 C ATOM 1054 C PRO A 68 9.034 -6.964 2.697 1.00 0.00 C ATOM 1055 O PRO A 68 9.132 -5.751 2.707 1.00 0.00 O ATOM 1056 CB PRO A 68 7.367 -8.462 3.920 1.00 0.00 C ATOM 1057 CG PRO A 68 7.344 -9.963 3.527 1.00 0.00 C ATOM 1058 CD PRO A 68 7.327 -10.027 1.990 1.00 0.00 C ATOM 0 HA PRO A 68 6.936 -6.837 2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.133 -8.276 4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.413 -8.167 4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.218 -10.479 3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.466 -10.457 3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.082 -10.717 1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.363 -10.376 1.619 1.00 0.00 H new ATOM 1066 N GLU A 69 10.095 -7.722 2.747 1.00 0.00 N ATOM 1067 CA GLU A 69 11.446 -7.091 2.820 1.00 0.00 C ATOM 1068 C GLU A 69 11.694 -6.226 1.578 1.00 0.00 C ATOM 1069 O GLU A 69 12.465 -5.283 1.614 1.00 0.00 O ATOM 1070 CB GLU A 69 12.534 -8.170 2.930 1.00 0.00 C ATOM 1071 CG GLU A 69 12.289 -9.292 1.908 1.00 0.00 C ATOM 1072 CD GLU A 69 11.266 -10.289 2.461 1.00 0.00 C ATOM 1073 OE1 GLU A 69 10.677 -9.996 3.489 1.00 0.00 O ATOM 1074 OE2 GLU A 69 11.090 -11.328 1.847 1.00 0.00 O ATOM 0 H GLU A 69 10.087 -8.742 2.741 1.00 0.00 H new ATOM 0 HA GLU A 69 11.485 -6.459 3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.514 -7.724 2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.542 -8.584 3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.927 -8.869 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.225 -9.804 1.686 1.00 0.00 H new ATOM 1081 N LEU A 70 11.047 -6.518 0.485 1.00 0.00 N ATOM 1082 CA LEU A 70 11.260 -5.692 -0.733 1.00 0.00 C ATOM 1083 C LEU A 70 10.669 -4.302 -0.489 1.00 0.00 C ATOM 1084 O LEU A 70 11.296 -3.294 -0.749 1.00 0.00 O ATOM 1085 CB LEU A 70 10.574 -6.368 -1.931 1.00 0.00 C ATOM 1086 CG LEU A 70 10.505 -5.410 -3.123 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.906 -4.887 -3.454 1.00 0.00 C ATOM 1088 CD2 LEU A 70 9.941 -6.155 -4.336 1.00 0.00 C ATOM 0 H LEU A 70 10.385 -7.287 0.383 1.00 0.00 H new ATOM 0 HA LEU A 70 12.324 -5.597 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.123 -7.267 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.568 -6.682 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 70 9.859 -4.568 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.849 -4.206 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.310 -4.358 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.557 -5.724 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.890 -5.477 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.590 -6.996 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.941 -6.523 -4.105 1.00 0.00 H new ATOM 1100 N VAL A 71 9.466 -4.236 0.013 1.00 0.00 N ATOM 1101 CA VAL A 71 8.840 -2.906 0.273 1.00 0.00 C ATOM 1102 C VAL A 71 9.838 -2.019 1.008 1.00 0.00 C ATOM 1103 O VAL A 71 10.150 -0.929 0.577 1.00 0.00 O ATOM 1104 CB VAL A 71 7.581 -3.085 1.132 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.626 -1.912 0.906 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.891 -4.385 0.734 1.00 0.00 C ATOM 0 H VAL A 71 8.890 -5.043 0.254 1.00 0.00 H new ATOM 0 HA VAL A 71 8.563 -2.442 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 71 7.860 -3.119 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.734 -2.045 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.121 -0.981 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.341 -1.872 -0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.995 -4.521 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.615 -4.342 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.570 -5.222 0.897 1.00 0.00 H new ATOM 1116 N CYS A 72 10.354 -2.483 2.113 1.00 0.00 N ATOM 1117 CA CYS A 72 11.347 -1.650 2.859 1.00 0.00 C ATOM 1118 C CYS A 72 12.414 -1.187 1.868 1.00 0.00 C ATOM 1119 O CYS A 72 12.960 -0.108 1.984 1.00 0.00 O ATOM 1120 CB CYS A 72 12.001 -2.446 3.997 1.00 0.00 C ATOM 1121 SG CYS A 72 12.921 -1.309 5.057 1.00 0.00 S ATOM 0 H CYS A 72 10.137 -3.389 2.529 1.00 0.00 H new ATOM 0 HA CYS A 72 10.838 -0.797 3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.240 -2.969 4.577 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.669 -3.205 3.590 1.00 0.00 H new ATOM 1126 N SER A 73 12.691 -1.987 0.871 1.00 0.00 N ATOM 1127 CA SER A 73 13.696 -1.577 -0.147 1.00 0.00 C ATOM 1128 C SER A 73 13.068 -0.478 -1.020 1.00 0.00 C ATOM 1129 O SER A 73 13.580 0.620 -1.105 1.00 0.00 O ATOM 1130 CB SER A 73 14.106 -2.795 -0.995 1.00 0.00 C ATOM 1131 OG SER A 73 15.513 -2.978 -0.889 1.00 0.00 O ATOM 0 H SER A 73 12.266 -2.902 0.720 1.00 0.00 H new ATOM 0 HA SER A 73 14.596 -1.190 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.583 -3.687 -0.651 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.823 -2.642 -2.036 1.00 0.00 H new ATOM 0 HG SER A 73 15.783 -3.753 -1.425 1.00 0.00 H new ATOM 1137 N MET A 74 11.954 -0.756 -1.657 1.00 0.00 N ATOM 1138 CA MET A 74 11.309 0.297 -2.497 1.00 0.00 C ATOM 1139 C MET A 74 11.172 1.575 -1.669 1.00 0.00 C ATOM 1140 O MET A 74 11.456 2.663 -2.130 1.00 0.00 O ATOM 1141 CB MET A 74 9.909 -0.153 -2.933 1.00 0.00 C ATOM 1142 CG MET A 74 9.976 -1.531 -3.594 1.00 0.00 C ATOM 1143 SD MET A 74 8.494 -1.787 -4.609 1.00 0.00 S ATOM 1144 CE MET A 74 7.406 -2.423 -3.306 1.00 0.00 C ATOM 0 H MET A 74 11.471 -1.654 -1.631 1.00 0.00 H new ATOM 0 HA MET A 74 11.924 0.472 -3.380 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.246 -0.189 -2.069 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.487 0.572 -3.629 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.871 -1.607 -4.212 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.047 -2.308 -2.833 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.426 -2.647 -3.727 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.836 -3.332 -2.884 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.301 -1.673 -2.522 1.00 0.00 H new ATOM 1154 N LEU A 75 10.735 1.445 -0.446 1.00 0.00 N ATOM 1155 CA LEU A 75 10.571 2.644 0.426 1.00 0.00 C ATOM 1156 C LEU A 75 11.942 3.280 0.682 1.00 0.00 C ATOM 1157 O LEU A 75 12.039 4.363 1.223 1.00 0.00 O ATOM 1158 CB LEU A 75 9.944 2.224 1.761 1.00 0.00 C ATOM 1159 CG LEU A 75 8.582 1.544 1.522 1.00 0.00 C ATOM 1160 CD1 LEU A 75 8.185 0.721 2.761 1.00 0.00 C ATOM 1161 CD2 LEU A 75 7.504 2.603 1.241 1.00 0.00 C ATOM 0 H LEU A 75 10.484 0.557 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 75 9.922 3.367 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.612 1.541 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.815 3.097 2.401 1.00 0.00 H new ATOM 0 HG LEU A 75 8.666 0.883 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.221 0.242 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.940 -0.042 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.112 1.379 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.546 2.111 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.423 3.275 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.778 3.175 0.354 1.00 0.00 H new ATOM 1173 N HIS A 76 12.997 2.611 0.291 1.00 0.00 N ATOM 1174 CA HIS A 76 14.373 3.156 0.492 1.00 0.00 C ATOM 1175 C HIS A 76 14.496 3.829 1.863 1.00 0.00 C ATOM 1176 O HIS A 76 14.955 4.949 1.973 1.00 0.00 O ATOM 1177 CB HIS A 76 14.688 4.173 -0.608 1.00 0.00 C ATOM 1178 CG HIS A 76 13.756 5.346 -0.493 1.00 0.00 C ATOM 1179 ND1 HIS A 76 14.064 6.466 0.263 1.00 0.00 N ATOM 1180 CD2 HIS A 76 12.520 5.588 -1.036 1.00 0.00 C ATOM 1181 CE1 HIS A 76 13.033 7.323 0.155 1.00 0.00 C ATOM 1182 NE2 HIS A 76 12.065 6.838 -0.627 1.00 0.00 N ATOM 0 H HIS A 76 12.962 1.699 -0.165 1.00 0.00 H new ATOM 0 HA HIS A 76 15.083 2.330 0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.722 4.508 -0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.584 3.708 -1.588 1.00 0.00 H new ATOM 0 HD1 HIS A 76 14.917 6.613 0.803 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.982 4.911 -1.683 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.993 8.286 0.642 1.00 0.00 H new ATOM 1190 N LEU A 77 14.099 3.156 2.910 1.00 0.00 N ATOM 1191 CA LEU A 77 14.202 3.754 4.266 1.00 0.00 C ATOM 1192 C LEU A 77 15.619 3.525 4.809 1.00 0.00 C ATOM 1193 O LEU A 77 16.114 4.283 5.619 1.00 0.00 O ATOM 1194 CB LEU A 77 13.156 3.092 5.201 1.00 0.00 C ATOM 1195 CG LEU A 77 12.586 4.139 6.170 1.00 0.00 C ATOM 1196 CD1 LEU A 77 11.452 4.916 5.485 1.00 0.00 C ATOM 1197 CD2 LEU A 77 12.046 3.455 7.433 1.00 0.00 C ATOM 0 H LEU A 77 13.707 2.215 2.881 1.00 0.00 H new ATOM 0 HA LEU A 77 14.005 4.825 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.352 2.655 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 77 13.618 2.279 5.761 1.00 0.00 H new ATOM 0 HG LEU A 77 13.383 4.828 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.050 5.658 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.839 5.418 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.661 4.225 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.645 4.208 8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.256 2.756 7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.853 2.914 7.927 1.00 0.00 H new ATOM 1209 N CYS A 78 16.271 2.483 4.369 1.00 0.00 N ATOM 1210 CA CYS A 78 17.650 2.204 4.858 1.00 0.00 C ATOM 1211 C CYS A 78 18.586 3.327 4.412 1.00 0.00 C ATOM 1212 O CYS A 78 19.706 3.434 4.871 1.00 0.00 O ATOM 1213 CB CYS A 78 18.139 0.875 4.278 1.00 0.00 C ATOM 1214 SG CYS A 78 16.959 -0.435 4.685 1.00 0.00 S ATOM 0 H CYS A 78 15.907 1.813 3.692 1.00 0.00 H new ATOM 0 HA CYS A 78 17.643 2.146 5.946 1.00 0.00 H new ATOM 0 HB2 CYS A 78 18.248 0.957 3.197 1.00 0.00 H new ATOM 0 HB3 CYS A 78 19.122 0.631 4.680 1.00 0.00 H new ATOM 1219 N SER A 79 18.140 4.162 3.517 1.00 0.00 N ATOM 1220 CA SER A 79 19.006 5.275 3.039 1.00 0.00 C ATOM 1221 C SER A 79 19.590 6.023 4.239 1.00 0.00 C ATOM 1222 O SER A 79 18.902 6.758 4.920 1.00 0.00 O ATOM 1223 CB SER A 79 18.181 6.237 2.185 1.00 0.00 C ATOM 1224 OG SER A 79 19.057 7.065 1.431 1.00 0.00 O ATOM 0 H SER A 79 17.212 4.122 3.095 1.00 0.00 H new ATOM 0 HA SER A 79 19.819 4.867 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.526 5.678 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.541 6.849 2.821 1.00 0.00 H new ATOM 0 HG SER A 79 19.116 7.948 1.853 1.00 0.00 H new ATOM 1230 N GLY A 80 20.858 5.851 4.498 1.00 0.00 N ATOM 1231 CA GLY A 80 21.489 6.563 5.646 1.00 0.00 C ATOM 1232 C GLY A 80 21.693 8.021 5.254 1.00 0.00 C ATOM 1233 O GLY A 80 21.793 8.903 6.083 1.00 0.00 O ATOM 0 H GLY A 80 21.484 5.248 3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.855 6.493 6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 80 22.443 6.102 5.900 1.00 0.00 H new ATOM 1237 N LEU A 81 21.735 8.263 3.978 1.00 0.00 N ATOM 1238 CA LEU A 81 21.911 9.637 3.444 1.00 0.00 C ATOM 1239 C LEU A 81 20.772 9.900 2.483 1.00 0.00 C ATOM 1240 O LEU A 81 19.877 9.091 2.338 1.00 0.00 O ATOM 1241 CB LEU A 81 23.254 9.751 2.697 1.00 0.00 C ATOM 1242 CG LEU A 81 23.570 8.467 1.888 1.00 0.00 C ATOM 1243 CD1 LEU A 81 23.911 7.283 2.827 1.00 0.00 C ATOM 1244 CD2 LEU A 81 22.384 8.097 0.974 1.00 0.00 C ATOM 0 H LEU A 81 21.652 7.542 3.261 1.00 0.00 H new ATOM 0 HA LEU A 81 21.911 10.362 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 81 23.224 10.608 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 81 24.054 9.936 3.413 1.00 0.00 H new ATOM 0 HG LEU A 81 24.443 8.671 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 81 24.128 6.397 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 81 24.782 7.537 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.063 7.081 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.624 7.193 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 81 21.497 7.922 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.192 8.914 0.279 1.00 0.00 H new ATOM 1256 N VAL A 82 20.801 10.993 1.788 1.00 0.00 N ATOM 1257 CA VAL A 82 19.714 11.236 0.807 1.00 0.00 C ATOM 1258 C VAL A 82 20.065 10.461 -0.481 1.00 0.00 C ATOM 1259 O VAL A 82 21.170 10.588 -0.969 1.00 0.00 O ATOM 1260 CB VAL A 82 19.585 12.729 0.488 1.00 0.00 C ATOM 1261 CG1 VAL A 82 18.777 13.419 1.587 1.00 0.00 C ATOM 1262 CG2 VAL A 82 20.977 13.361 0.397 1.00 0.00 C ATOM 0 H VAL A 82 21.515 11.719 1.852 1.00 0.00 H new ATOM 0 HA VAL A 82 18.763 10.901 1.221 1.00 0.00 H new ATOM 0 HB VAL A 82 19.074 12.850 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 82 18.686 14.481 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 82 17.784 12.973 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 82 19.284 13.295 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 82 20.880 14.423 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 82 21.495 13.239 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 82 21.548 12.872 -0.392 1.00 0.00 H new ATOM 1272 N PRO A 83 19.148 9.670 -1.008 1.00 0.00 N ATOM 1273 CA PRO A 83 19.431 8.892 -2.220 1.00 0.00 C ATOM 1274 C PRO A 83 20.086 9.783 -3.288 1.00 0.00 C ATOM 1275 O PRO A 83 19.724 10.930 -3.454 1.00 0.00 O ATOM 1276 CB PRO A 83 18.061 8.368 -2.683 1.00 0.00 C ATOM 1277 CG PRO A 83 17.093 8.555 -1.490 1.00 0.00 C ATOM 1278 CD PRO A 83 17.783 9.491 -0.477 1.00 0.00 C ATOM 0 HA PRO A 83 20.130 8.075 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 83 17.711 8.917 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 83 18.124 7.319 -2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.148 8.983 -1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 83 16.862 7.595 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 83 17.260 10.444 -0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 83 17.800 9.052 0.521 1.00 0.00 H new ATOM 1286 N ARG A 84 21.038 9.264 -4.016 1.00 0.00 N ATOM 1287 CA ARG A 84 21.697 10.088 -5.071 1.00 0.00 C ATOM 1288 C ARG A 84 20.821 10.083 -6.327 1.00 0.00 C ATOM 1289 O ARG A 84 21.180 10.757 -7.278 1.00 0.00 O ATOM 1290 CB ARG A 84 23.077 9.501 -5.410 1.00 0.00 C ATOM 1291 CG ARG A 84 24.103 9.846 -4.314 1.00 0.00 C ATOM 1292 CD ARG A 84 23.988 8.857 -3.151 1.00 0.00 C ATOM 1293 NE ARG A 84 24.193 7.469 -3.653 1.00 0.00 N ATOM 1294 CZ ARG A 84 24.445 6.503 -2.812 1.00 0.00 C ATOM 1295 NH1 ARG A 84 24.521 6.752 -1.534 1.00 0.00 N ATOM 1296 NH2 ARG A 84 24.622 5.286 -3.251 1.00 0.00 N ATOM 1297 OXT ARG A 84 19.806 9.406 -6.314 1.00 0.00 O ATOM 0 H ARG A 84 21.387 8.310 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 84 21.823 11.108 -4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 84 23.001 8.419 -5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 84 23.418 9.891 -6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 84 25.111 9.817 -4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 84 23.935 10.861 -3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 84 24.729 9.091 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 84 23.008 8.944 -2.682 1.00 0.00 H new ATOM 0 HE ARG A 84 24.136 7.274 -4.653 1.00 0.00 H new ATOM 0 HH11 ARG A 84 24.383 7.703 -1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 84 24.718 5.996 -0.878 1.00 0.00 H new ATOM 0 HH21 ARG A 84 24.563 5.091 -4.250 1.00 0.00 H new ATOM 0 HH22 ARG A 84 24.819 4.531 -2.594 1.00 0.00 H new TER 1311 ARG A 84