USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 617 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 15 THR OG1 : rot -120:sc= 0.291 USER MOD Set 1.2: A 18 THR OG1 : rot 109:sc= 0.723 USER MOD Set 2.1: A 2 THR OG1 : rot -170:sc= 0.901 USER MOD Set 2.2: A 4 THR OG1 : rot -85:sc= 1.11 USER MOD Single : A 1 GLY N :NH3+ 167:sc= 0 (180deg=-0.171) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 150:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= -0.173 (180deg=-0.753) USER MOD Single : A 13 CYS SG : rot 114:sc= -0.489 USER MOD Single : A 14 THR OG1 : rot 77:sc= -0.0657! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -8.4! C(o=-8.4!,f=-8.5!) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.122 (180deg=-0.914) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -145:sc= -3.79! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.718 K(o=-0.72,f=-3.1!) USER MOD Single : A 50 THR OG1 : rot 64:sc= 0.714 USER MOD Single : A 51 MET CE :methyl -160:sc= -0.169 (180deg=-1.14) USER MOD Single : A 52 ASN : amide:sc= -2.09! C(o=-2.1!,f=-4.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 54:sc= 0.952 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 65 HIS : no HE2:sc= 0.566 K(o=0.57,f=-3.9!) USER MOD Single : A 67 LYS NZ :NH3+ 155:sc= -0.0763 (180deg=-0.533) USER MOD Single : A 68 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 69 HIS : no HE2:sc= 0.774 K(o=0.77,f=-5.5!) USER MOD Single : A 70 HIS : no HD1:sc= -4.65! C(o=-4.6!,f=-3.5!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 72 HIS : no HD1:sc= -0.67 K(o=-0.67,f=-2.4!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.00046) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 73.256 -9.711 1.503 1.00 1.00 N ATOM 2 CA GLY A 1 72.238 -8.888 0.790 1.00 1.00 C ATOM 3 C GLY A 1 72.343 -7.440 1.252 1.00 1.00 C ATOM 4 O GLY A 1 71.333 -6.770 1.462 1.00 1.00 O ATOM 0 H1 GLY A 1 73.048 -10.720 1.361 1.00 1.00 H new ATOM 0 H2 GLY A 1 74.201 -9.496 1.127 1.00 1.00 H new ATOM 0 H3 GLY A 1 73.230 -9.491 2.519 1.00 1.00 H new ATOM 0 HA2 GLY A 1 72.394 -8.950 -0.287 1.00 1.00 H new ATOM 0 HA3 GLY A 1 71.238 -9.273 0.990 1.00 1.00 H new ATOM 10 N THR A 2 73.575 -6.966 1.408 1.00 1.00 N ATOM 11 CA THR A 2 73.813 -5.594 1.847 1.00 1.00 C ATOM 12 C THR A 2 73.602 -4.613 0.700 1.00 1.00 C ATOM 13 O THR A 2 73.539 -5.000 -0.467 1.00 1.00 O ATOM 14 CB THR A 2 75.240 -5.457 2.384 1.00 1.00 C ATOM 15 OG1 THR A 2 76.165 -5.672 1.327 1.00 1.00 O ATOM 16 CG2 THR A 2 75.473 -6.490 3.489 1.00 1.00 C ATOM 0 H THR A 2 74.422 -7.509 1.238 1.00 1.00 H new ATOM 0 HA THR A 2 73.102 -5.361 2.639 1.00 1.00 H new ATOM 0 HB THR A 2 75.381 -4.456 2.791 1.00 1.00 H new ATOM 0 HG1 THR A 2 77.071 -5.742 1.694 1.00 1.00 H new ATOM 0 HG21 THR A 2 76.489 -6.392 3.871 1.00 1.00 H new ATOM 0 HG22 THR A 2 74.763 -6.322 4.299 1.00 1.00 H new ATOM 0 HG23 THR A 2 75.333 -7.493 3.085 1.00 1.00 H new ATOM 24 N LYS A 3 73.485 -3.338 1.058 1.00 1.00 N ATOM 25 CA LYS A 3 73.265 -2.259 0.089 1.00 1.00 C ATOM 26 C LYS A 3 74.466 -2.096 -0.861 1.00 1.00 C ATOM 27 O LYS A 3 74.329 -1.499 -1.926 1.00 1.00 O ATOM 28 CB LYS A 3 72.854 -0.953 0.777 1.00 1.00 C ATOM 29 CG LYS A 3 72.125 -0.026 -0.206 1.00 1.00 C ATOM 30 CD LYS A 3 71.967 1.406 0.387 1.00 1.00 C ATOM 31 CE LYS A 3 70.781 1.454 1.357 1.00 1.00 C ATOM 32 NZ LYS A 3 70.583 2.857 1.822 1.00 1.00 N ATOM 0 H LYS A 3 73.539 -3.020 2.025 1.00 1.00 H new ATOM 0 HA LYS A 3 72.421 -2.543 -0.540 1.00 1.00 H new ATOM 0 HB2 LYS A 3 72.206 -1.172 1.626 1.00 1.00 H new ATOM 0 HB3 LYS A 3 73.737 -0.450 1.171 1.00 1.00 H new ATOM 0 HG2 LYS A 3 72.680 0.024 -1.143 1.00 1.00 H new ATOM 0 HG3 LYS A 3 71.143 -0.437 -0.438 1.00 1.00 H new ATOM 0 HD2 LYS A 3 72.881 1.695 0.906 1.00 1.00 H new ATOM 0 HD3 LYS A 3 71.816 2.125 -0.418 1.00 1.00 H new ATOM 0 HE2 LYS A 3 69.879 1.091 0.865 1.00 1.00 H new ATOM 0 HE3 LYS A 3 70.966 0.799 2.208 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 69.779 2.894 2.481 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 71.442 3.187 2.306 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 70.389 3.470 1.004 1.00 1.00 H new ATOM 46 N THR A 4 75.622 -2.655 -0.540 1.00 1.00 N ATOM 47 CA THR A 4 76.755 -2.566 -1.472 1.00 1.00 C ATOM 48 C THR A 4 76.307 -3.017 -2.883 1.00 1.00 C ATOM 49 O THR A 4 76.429 -2.266 -3.852 1.00 1.00 O ATOM 50 CB THR A 4 77.825 -3.533 -0.970 1.00 1.00 C ATOM 51 OG1 THR A 4 77.235 -4.803 -0.734 1.00 1.00 O ATOM 52 CG2 THR A 4 78.428 -3.000 0.331 1.00 1.00 C ATOM 0 H THR A 4 75.807 -3.161 0.326 1.00 1.00 H new ATOM 0 HA THR A 4 77.128 -1.543 -1.525 1.00 1.00 H new ATOM 0 HB THR A 4 78.611 -3.628 -1.719 1.00 1.00 H new ATOM 0 HG1 THR A 4 76.842 -4.819 0.163 1.00 1.00 H new ATOM 0 HG21 THR A 4 79.191 -3.691 0.688 1.00 1.00 H new ATOM 0 HG22 THR A 4 78.878 -2.024 0.150 1.00 1.00 H new ATOM 0 HG23 THR A 4 77.645 -2.905 1.083 1.00 1.00 H new ATOM 60 N ASP A 5 75.785 -4.234 -2.973 1.00 1.00 N ATOM 61 CA ASP A 5 75.297 -4.814 -4.240 1.00 1.00 C ATOM 62 C ASP A 5 74.310 -3.910 -4.976 1.00 1.00 C ATOM 63 O ASP A 5 74.355 -3.775 -6.199 1.00 1.00 O ATOM 64 CB ASP A 5 74.527 -6.085 -3.896 1.00 1.00 C ATOM 65 CG ASP A 5 75.430 -7.051 -3.137 1.00 1.00 C ATOM 66 OD1 ASP A 5 76.488 -6.625 -2.702 1.00 1.00 O ATOM 67 OD2 ASP A 5 75.052 -8.202 -3.002 1.00 1.00 O ATOM 0 H ASP A 5 75.683 -4.857 -2.172 1.00 1.00 H new ATOM 0 HA ASP A 5 76.166 -4.974 -4.878 1.00 1.00 H new ATOM 0 HB2 ASP A 5 73.654 -5.839 -3.292 1.00 1.00 H new ATOM 0 HB3 ASP A 5 74.161 -6.557 -4.808 1.00 1.00 H new ATOM 72 N TYR A 6 73.422 -3.308 -4.213 1.00 1.00 N ATOM 73 CA TYR A 6 72.394 -2.414 -4.740 1.00 1.00 C ATOM 74 C TYR A 6 72.996 -1.156 -5.355 1.00 1.00 C ATOM 75 O TYR A 6 72.815 -0.881 -6.534 1.00 1.00 O ATOM 76 CB TYR A 6 71.499 -1.996 -3.549 1.00 1.00 C ATOM 77 CG TYR A 6 70.556 -3.133 -3.099 1.00 1.00 C ATOM 78 CD1 TYR A 6 70.746 -4.495 -3.468 1.00 1.00 C ATOM 79 CD2 TYR A 6 69.460 -2.797 -2.295 1.00 1.00 C ATOM 80 CE1 TYR A 6 69.847 -5.472 -3.025 1.00 1.00 C ATOM 81 CE2 TYR A 6 68.567 -3.787 -1.859 1.00 1.00 C ATOM 82 CZ TYR A 6 68.762 -5.120 -2.223 1.00 1.00 C ATOM 83 OH TYR A 6 67.881 -6.088 -1.789 1.00 1.00 O ATOM 0 H TYR A 6 73.387 -3.422 -3.200 1.00 1.00 H new ATOM 0 HA TYR A 6 71.836 -2.933 -5.520 1.00 1.00 H new ATOM 0 HB2 TYR A 6 72.129 -1.696 -2.711 1.00 1.00 H new ATOM 0 HB3 TYR A 6 70.907 -1.125 -3.830 1.00 1.00 H new ATOM 0 HD1 TYR A 6 71.584 -4.774 -4.090 1.00 1.00 H new ATOM 0 HD2 TYR A 6 69.301 -1.768 -2.008 1.00 1.00 H new ATOM 0 HE1 TYR A 6 69.995 -6.504 -3.306 1.00 1.00 H new ATOM 0 HE2 TYR A 6 67.725 -3.516 -1.239 1.00 1.00 H new ATOM 0 HH TYR A 6 67.507 -5.825 -0.922 1.00 1.00 H new ATOM 93 N LEU A 7 73.693 -0.389 -4.535 1.00 1.00 N ATOM 94 CA LEU A 7 74.285 0.858 -4.983 1.00 1.00 C ATOM 95 C LEU A 7 75.243 0.647 -6.142 1.00 1.00 C ATOM 96 O LEU A 7 75.343 1.500 -7.022 1.00 1.00 O ATOM 97 CB LEU A 7 75.057 1.512 -3.808 1.00 1.00 C ATOM 98 CG LEU A 7 74.076 2.186 -2.804 1.00 1.00 C ATOM 99 CD1 LEU A 7 74.707 2.266 -1.405 1.00 1.00 C ATOM 100 CD2 LEU A 7 73.718 3.612 -3.256 1.00 1.00 C ATOM 0 H LEU A 7 73.863 -0.609 -3.554 1.00 1.00 H new ATOM 0 HA LEU A 7 73.476 1.505 -5.323 1.00 1.00 H new ATOM 0 HB2 LEU A 7 75.649 0.757 -3.292 1.00 1.00 H new ATOM 0 HB3 LEU A 7 75.755 2.255 -4.195 1.00 1.00 H new ATOM 0 HG LEU A 7 73.173 1.576 -2.772 1.00 1.00 H new ATOM 0 HD11 LEU A 7 74.007 2.740 -0.717 1.00 1.00 H new ATOM 0 HD12 LEU A 7 74.939 1.261 -1.052 1.00 1.00 H new ATOM 0 HD13 LEU A 7 75.624 2.854 -1.452 1.00 1.00 H new ATOM 0 HD21 LEU A 7 73.032 4.060 -2.537 1.00 1.00 H new ATOM 0 HD22 LEU A 7 74.625 4.213 -3.315 1.00 1.00 H new ATOM 0 HD23 LEU A 7 73.243 3.574 -4.236 1.00 1.00 H new ATOM 112 N MET A 8 75.995 -0.466 -6.131 1.00 1.00 N ATOM 113 CA MET A 8 76.974 -0.666 -7.218 1.00 1.00 C ATOM 114 C MET A 8 76.221 -1.031 -8.499 1.00 1.00 C ATOM 115 O MET A 8 76.328 -0.342 -9.514 1.00 1.00 O ATOM 116 CB MET A 8 78.000 -1.739 -6.841 1.00 1.00 C ATOM 117 CG MET A 8 78.944 -1.229 -5.729 1.00 1.00 C ATOM 118 SD MET A 8 80.418 -2.283 -5.673 1.00 1.00 S ATOM 119 CE MET A 8 81.441 -1.341 -6.833 1.00 1.00 C ATOM 0 H MET A 8 75.953 -1.203 -5.427 1.00 1.00 H new ATOM 0 HA MET A 8 77.531 0.256 -7.385 1.00 1.00 H new ATOM 0 HB2 MET A 8 77.485 -2.638 -6.503 1.00 1.00 H new ATOM 0 HB3 MET A 8 78.582 -2.016 -7.720 1.00 1.00 H new ATOM 0 HG2 MET A 8 79.228 -0.195 -5.922 1.00 1.00 H new ATOM 0 HG3 MET A 8 78.434 -1.245 -4.766 1.00 1.00 H new ATOM 0 HE1 MET A 8 82.410 -1.829 -6.943 1.00 1.00 H new ATOM 0 HE2 MET A 8 80.945 -1.297 -7.803 1.00 1.00 H new ATOM 0 HE3 MET A 8 81.585 -0.330 -6.453 1.00 1.00 H new ATOM 129 N ARG A 9 75.501 -2.150 -8.455 1.00 1.00 N ATOM 130 CA ARG A 9 74.783 -2.646 -9.627 1.00 1.00 C ATOM 131 C ARG A 9 73.837 -1.593 -10.210 1.00 1.00 C ATOM 132 O ARG A 9 73.841 -1.347 -11.416 1.00 1.00 O ATOM 133 CB ARG A 9 73.966 -3.870 -9.197 1.00 1.00 C ATOM 134 CG ARG A 9 73.421 -4.607 -10.429 1.00 1.00 C ATOM 135 CD ARG A 9 72.416 -5.678 -9.992 1.00 1.00 C ATOM 136 NE ARG A 9 72.002 -6.478 -11.139 1.00 1.00 N ATOM 137 CZ ARG A 9 72.819 -7.372 -11.685 1.00 1.00 C ATOM 138 NH1 ARG A 9 74.013 -7.553 -11.191 1.00 1.00 N ATOM 139 NH2 ARG A 9 72.427 -8.070 -12.714 1.00 1.00 N ATOM 0 H ARG A 9 75.399 -2.730 -7.622 1.00 1.00 H new ATOM 0 HA ARG A 9 75.509 -2.898 -10.400 1.00 1.00 H new ATOM 0 HB2 ARG A 9 74.589 -4.543 -8.608 1.00 1.00 H new ATOM 0 HB3 ARG A 9 73.141 -3.558 -8.557 1.00 1.00 H new ATOM 0 HG2 ARG A 9 72.941 -3.899 -11.105 1.00 1.00 H new ATOM 0 HG3 ARG A 9 74.241 -5.068 -10.980 1.00 1.00 H new ATOM 0 HD2 ARG A 9 72.865 -6.320 -9.234 1.00 1.00 H new ATOM 0 HD3 ARG A 9 71.546 -5.206 -9.535 1.00 1.00 H new ATOM 0 HE ARG A 9 71.068 -6.349 -11.529 1.00 1.00 H new ATOM 0 HH11 ARG A 9 74.320 -7.008 -10.385 1.00 1.00 H new ATOM 0 HH12 ARG A 9 74.640 -8.240 -11.611 1.00 1.00 H new ATOM 0 HH21 ARG A 9 71.493 -7.930 -13.100 1.00 1.00 H new ATOM 0 HH22 ARG A 9 73.054 -8.756 -13.133 1.00 1.00 H new ATOM 153 N LEU A 10 73.007 -1.006 -9.367 1.00 1.00 N ATOM 154 CA LEU A 10 72.034 -0.017 -9.821 1.00 1.00 C ATOM 155 C LEU A 10 72.670 1.203 -10.480 1.00 1.00 C ATOM 156 O LEU A 10 72.017 1.854 -11.296 1.00 1.00 O ATOM 157 CB LEU A 10 71.213 0.477 -8.616 1.00 1.00 C ATOM 158 CG LEU A 10 70.348 -0.670 -8.042 1.00 1.00 C ATOM 159 CD1 LEU A 10 69.752 -0.201 -6.701 1.00 1.00 C ATOM 160 CD2 LEU A 10 69.203 -1.058 -9.027 1.00 1.00 C ATOM 0 H LEU A 10 72.984 -1.194 -8.365 1.00 1.00 H new ATOM 0 HA LEU A 10 71.414 -0.516 -10.566 1.00 1.00 H new ATOM 0 HB2 LEU A 10 71.882 0.857 -7.844 1.00 1.00 H new ATOM 0 HB3 LEU A 10 70.573 1.306 -8.920 1.00 1.00 H new ATOM 0 HG LEU A 10 70.970 -1.553 -7.896 1.00 1.00 H new ATOM 0 HD11 LEU A 10 69.137 -0.996 -6.278 1.00 1.00 H new ATOM 0 HD12 LEU A 10 70.559 0.041 -6.009 1.00 1.00 H new ATOM 0 HD13 LEU A 10 69.138 0.684 -6.866 1.00 1.00 H new ATOM 0 HD21 LEU A 10 68.612 -1.866 -8.597 1.00 1.00 H new ATOM 0 HD22 LEU A 10 68.563 -0.193 -9.200 1.00 1.00 H new ATOM 0 HD23 LEU A 10 69.633 -1.386 -9.973 1.00 1.00 H new ATOM 172 N ARG A 11 73.904 1.571 -10.123 1.00 1.00 N ATOM 173 CA ARG A 11 74.548 2.764 -10.677 1.00 1.00 C ATOM 174 C ARG A 11 75.107 2.578 -12.098 1.00 1.00 C ATOM 175 O ARG A 11 75.486 3.559 -12.734 1.00 1.00 O ATOM 176 CB ARG A 11 75.671 3.110 -9.664 1.00 1.00 C ATOM 177 CG ARG A 11 76.481 4.429 -10.007 1.00 1.00 C ATOM 178 CD ARG A 11 76.332 5.485 -8.855 1.00 1.00 C ATOM 179 NE ARG A 11 76.970 4.985 -7.637 1.00 1.00 N ATOM 180 CZ ARG A 11 78.294 4.868 -7.538 1.00 1.00 C ATOM 181 NH1 ARG A 11 79.062 5.194 -8.542 1.00 1.00 N ATOM 182 NH2 ARG A 11 78.827 4.430 -6.430 1.00 1.00 N ATOM 0 H ARG A 11 74.477 1.059 -9.452 1.00 1.00 H new ATOM 0 HA ARG A 11 73.819 3.566 -10.798 1.00 1.00 H new ATOM 0 HB2 ARG A 11 75.229 3.217 -8.673 1.00 1.00 H new ATOM 0 HB3 ARG A 11 76.368 2.273 -9.613 1.00 1.00 H new ATOM 0 HG2 ARG A 11 77.534 4.188 -10.153 1.00 1.00 H new ATOM 0 HG3 ARG A 11 76.118 4.852 -10.944 1.00 1.00 H new ATOM 0 HD2 ARG A 11 76.788 6.429 -9.154 1.00 1.00 H new ATOM 0 HD3 ARG A 11 75.277 5.686 -8.668 1.00 1.00 H new ATOM 0 HE ARG A 11 76.387 4.719 -6.844 1.00 1.00 H new ATOM 0 HH11 ARG A 11 78.649 5.540 -9.408 1.00 1.00 H new ATOM 0 HH12 ARG A 11 80.075 5.102 -8.460 1.00 1.00 H new ATOM 0 HH21 ARG A 11 78.231 4.178 -5.642 1.00 1.00 H new ATOM 0 HH22 ARG A 11 79.840 4.340 -6.352 1.00 1.00 H new ATOM 196 N LYS A 12 75.156 1.336 -12.626 1.00 1.00 N ATOM 197 CA LYS A 12 75.701 1.115 -14.003 1.00 1.00 C ATOM 198 C LYS A 12 74.584 1.090 -15.051 1.00 1.00 C ATOM 199 O LYS A 12 74.881 0.992 -16.236 1.00 1.00 O ATOM 200 CB LYS A 12 76.583 -0.163 -14.062 1.00 1.00 C ATOM 201 CG LYS A 12 78.037 0.153 -13.633 1.00 1.00 C ATOM 202 CD LYS A 12 78.042 0.787 -12.234 1.00 1.00 C ATOM 203 CE LYS A 12 79.488 0.883 -11.692 1.00 1.00 C ATOM 204 NZ LYS A 12 80.431 1.133 -12.821 1.00 1.00 N ATOM 0 H LYS A 12 74.840 0.492 -12.148 1.00 1.00 H new ATOM 0 HA LYS A 12 76.344 1.961 -14.245 1.00 1.00 H new ATOM 0 HB2 LYS A 12 76.165 -0.930 -13.410 1.00 1.00 H new ATOM 0 HB3 LYS A 12 76.577 -0.568 -15.074 1.00 1.00 H new ATOM 0 HG2 LYS A 12 78.631 -0.761 -13.630 1.00 1.00 H new ATOM 0 HG3 LYS A 12 78.498 0.831 -14.351 1.00 1.00 H new ATOM 0 HD2 LYS A 12 77.596 1.781 -12.276 1.00 1.00 H new ATOM 0 HD3 LYS A 12 77.431 0.192 -11.556 1.00 1.00 H new ATOM 0 HE2 LYS A 12 79.560 1.687 -10.960 1.00 1.00 H new ATOM 0 HE3 LYS A 12 79.757 -0.040 -11.178 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 81.348 1.447 -12.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 80.562 0.256 -13.365 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 80.041 1.870 -13.442 1.00 1.00 H new ATOM 218 N CYS A 13 73.307 1.178 -14.651 1.00 1.00 N ATOM 219 CA CYS A 13 72.217 1.175 -15.649 1.00 1.00 C ATOM 220 C CYS A 13 72.553 2.120 -16.814 1.00 1.00 C ATOM 221 O CYS A 13 72.167 1.889 -17.960 1.00 1.00 O ATOM 222 CB CYS A 13 70.906 1.626 -14.998 1.00 1.00 C ATOM 223 SG CYS A 13 71.061 3.345 -14.456 1.00 1.00 S ATOM 0 H CYS A 13 73.005 1.250 -13.679 1.00 1.00 H new ATOM 0 HA CYS A 13 72.105 0.160 -16.030 1.00 1.00 H new ATOM 0 HB2 CYS A 13 70.084 1.530 -15.707 1.00 1.00 H new ATOM 0 HB3 CYS A 13 70.671 0.985 -14.148 1.00 1.00 H new ATOM 0 HG CYS A 13 70.262 4.094 -15.156 1.00 1.00 H new ATOM 229 N THR A 14 73.309 3.164 -16.489 1.00 1.00 N ATOM 230 CA THR A 14 73.763 4.151 -17.470 1.00 1.00 C ATOM 231 C THR A 14 72.625 4.999 -18.056 1.00 1.00 C ATOM 232 O THR A 14 72.897 6.010 -18.703 1.00 1.00 O ATOM 233 CB THR A 14 74.530 3.448 -18.616 1.00 1.00 C ATOM 234 OG1 THR A 14 75.329 2.407 -18.083 1.00 1.00 O ATOM 235 CG2 THR A 14 75.442 4.441 -19.347 1.00 1.00 C ATOM 0 H THR A 14 73.626 3.352 -15.538 1.00 1.00 H new ATOM 0 HA THR A 14 74.422 4.834 -16.934 1.00 1.00 H new ATOM 0 HB THR A 14 73.801 3.045 -19.319 1.00 1.00 H new ATOM 0 HG1 THR A 14 74.763 1.634 -17.875 1.00 1.00 H new ATOM 0 HG21 THR A 14 75.972 3.926 -20.149 1.00 1.00 H new ATOM 0 HG22 THR A 14 74.840 5.246 -19.768 1.00 1.00 H new ATOM 0 HG23 THR A 14 76.164 4.858 -18.644 1.00 1.00 H new ATOM 243 N THR A 15 71.351 4.615 -17.846 1.00 1.00 N ATOM 244 CA THR A 15 70.223 5.402 -18.392 1.00 1.00 C ATOM 245 C THR A 15 69.070 5.487 -17.391 1.00 1.00 C ATOM 246 O THR A 15 68.698 4.505 -16.748 1.00 1.00 O ATOM 247 CB THR A 15 69.731 4.751 -19.697 1.00 1.00 C ATOM 248 OG1 THR A 15 69.590 3.356 -19.493 1.00 1.00 O ATOM 249 CG2 THR A 15 70.746 4.994 -20.824 1.00 1.00 C ATOM 0 H THR A 15 71.079 3.787 -17.317 1.00 1.00 H new ATOM 0 HA THR A 15 70.574 6.415 -18.590 1.00 1.00 H new ATOM 0 HB THR A 15 68.773 5.190 -19.978 1.00 1.00 H new ATOM 0 HG1 THR A 15 70.174 2.874 -20.115 1.00 1.00 H new ATOM 0 HG21 THR A 15 70.388 4.529 -21.743 1.00 1.00 H new ATOM 0 HG22 THR A 15 70.865 6.066 -20.982 1.00 1.00 H new ATOM 0 HG23 THR A 15 71.707 4.560 -20.548 1.00 1.00 H new ATOM 257 N ILE A 16 68.558 6.701 -17.245 1.00 1.00 N ATOM 258 CA ILE A 16 67.488 6.930 -16.274 1.00 1.00 C ATOM 259 C ILE A 16 66.328 5.955 -16.557 1.00 1.00 C ATOM 260 O ILE A 16 65.885 5.227 -15.669 1.00 1.00 O ATOM 261 CB ILE A 16 66.987 8.390 -16.323 1.00 1.00 C ATOM 262 CG1 ILE A 16 68.106 9.359 -15.877 1.00 1.00 C ATOM 263 CG2 ILE A 16 65.774 8.550 -15.391 1.00 1.00 C ATOM 264 CD1 ILE A 16 67.753 10.794 -16.296 1.00 1.00 C ATOM 0 H ILE A 16 68.853 7.525 -17.769 1.00 1.00 H new ATOM 0 HA ILE A 16 67.881 6.752 -15.273 1.00 1.00 H new ATOM 0 HB ILE A 16 66.700 8.627 -17.347 1.00 1.00 H new ATOM 0 HG12 ILE A 16 68.234 9.308 -14.796 1.00 1.00 H new ATOM 0 HG13 ILE A 16 69.055 9.063 -16.325 1.00 1.00 H new ATOM 0 HG21 ILE A 16 65.421 9.581 -15.426 1.00 1.00 H new ATOM 0 HG22 ILE A 16 64.976 7.882 -15.715 1.00 1.00 H new ATOM 0 HG23 ILE A 16 66.064 8.301 -14.370 1.00 1.00 H new ATOM 0 HD11 ILE A 16 68.546 11.471 -15.978 1.00 1.00 H new ATOM 0 HD12 ILE A 16 67.648 10.841 -17.380 1.00 1.00 H new ATOM 0 HD13 ILE A 16 66.814 11.089 -15.827 1.00 1.00 H new ATOM 276 N ASP A 17 65.819 5.991 -17.790 1.00 1.00 N ATOM 277 CA ASP A 17 64.678 5.161 -18.205 1.00 1.00 C ATOM 278 C ASP A 17 64.918 3.649 -18.039 1.00 1.00 C ATOM 279 O ASP A 17 63.976 2.868 -17.988 1.00 1.00 O ATOM 280 CB ASP A 17 64.291 5.476 -19.655 1.00 1.00 C ATOM 281 CG ASP A 17 65.414 5.060 -20.601 1.00 1.00 C ATOM 282 OD1 ASP A 17 66.407 4.538 -20.120 1.00 1.00 O ATOM 283 OD2 ASP A 17 65.262 5.270 -21.794 1.00 1.00 O ATOM 0 H ASP A 17 66.182 6.593 -18.529 1.00 1.00 H new ATOM 0 HA ASP A 17 63.858 5.417 -17.534 1.00 1.00 H new ATOM 0 HB2 ASP A 17 63.372 4.951 -19.916 1.00 1.00 H new ATOM 0 HB3 ASP A 17 64.091 6.542 -19.763 1.00 1.00 H new ATOM 288 N THR A 18 66.187 3.252 -17.934 1.00 1.00 N ATOM 289 CA THR A 18 66.499 1.811 -17.736 1.00 1.00 C ATOM 290 C THR A 18 66.138 1.427 -16.296 1.00 1.00 C ATOM 291 O THR A 18 65.519 0.391 -16.058 1.00 1.00 O ATOM 292 CB THR A 18 67.956 1.472 -18.096 1.00 1.00 C ATOM 293 OG1 THR A 18 68.090 1.514 -19.507 1.00 1.00 O ATOM 294 CG2 THR A 18 68.327 0.062 -17.611 1.00 1.00 C ATOM 0 H THR A 18 66.997 3.870 -17.979 1.00 1.00 H new ATOM 0 HA THR A 18 65.898 1.214 -18.422 1.00 1.00 H new ATOM 0 HB THR A 18 68.616 2.193 -17.615 1.00 1.00 H new ATOM 0 HG1 THR A 18 68.620 2.298 -19.762 1.00 1.00 H new ATOM 0 HG21 THR A 18 69.362 -0.154 -17.877 1.00 1.00 H new ATOM 0 HG22 THR A 18 68.212 0.008 -16.528 1.00 1.00 H new ATOM 0 HG23 THR A 18 67.671 -0.669 -18.083 1.00 1.00 H new ATOM 302 N LEU A 19 66.568 2.246 -15.348 1.00 1.00 N ATOM 303 CA LEU A 19 66.332 1.975 -13.921 1.00 1.00 C ATOM 304 C LEU A 19 64.884 1.493 -13.690 1.00 1.00 C ATOM 305 O LEU A 19 64.628 0.647 -12.847 1.00 1.00 O ATOM 306 CB LEU A 19 66.607 3.257 -13.110 1.00 1.00 C ATOM 307 CG LEU A 19 66.566 2.964 -11.573 1.00 1.00 C ATOM 308 CD1 LEU A 19 67.936 2.468 -11.085 1.00 1.00 C ATOM 309 CD2 LEU A 19 66.196 4.237 -10.782 1.00 1.00 C ATOM 0 H LEU A 19 67.083 3.107 -15.532 1.00 1.00 H new ATOM 0 HA LEU A 19 67.006 1.184 -13.591 1.00 1.00 H new ATOM 0 HB2 LEU A 19 67.582 3.662 -13.381 1.00 1.00 H new ATOM 0 HB3 LEU A 19 65.866 4.016 -13.360 1.00 1.00 H new ATOM 0 HG LEU A 19 65.811 2.197 -11.404 1.00 1.00 H new ATOM 0 HD11 LEU A 19 67.891 2.269 -10.014 1.00 1.00 H new ATOM 0 HD12 LEU A 19 68.201 1.552 -11.614 1.00 1.00 H new ATOM 0 HD13 LEU A 19 68.690 3.231 -11.281 1.00 1.00 H new ATOM 0 HD21 LEU A 19 66.174 4.009 -9.716 1.00 1.00 H new ATOM 0 HD22 LEU A 19 66.938 5.012 -10.972 1.00 1.00 H new ATOM 0 HD23 LEU A 19 65.214 4.590 -11.098 1.00 1.00 H new ATOM 321 N GLU A 20 63.986 1.962 -14.527 1.00 1.00 N ATOM 322 CA GLU A 20 62.591 1.501 -14.497 1.00 1.00 C ATOM 323 C GLU A 20 62.549 0.005 -14.839 1.00 1.00 C ATOM 324 O GLU A 20 61.896 -0.784 -14.153 1.00 1.00 O ATOM 325 CB GLU A 20 61.790 2.272 -15.546 1.00 1.00 C ATOM 326 CG GLU A 20 61.689 3.759 -15.151 1.00 1.00 C ATOM 327 CD GLU A 20 60.675 3.943 -14.026 1.00 1.00 C ATOM 328 OE1 GLU A 20 60.075 2.958 -13.629 1.00 1.00 O ATOM 329 OE2 GLU A 20 60.514 5.066 -13.578 1.00 1.00 O ATOM 0 H GLU A 20 64.184 2.663 -15.242 1.00 1.00 H new ATOM 0 HA GLU A 20 62.167 1.668 -13.507 1.00 1.00 H new ATOM 0 HB2 GLU A 20 62.269 2.179 -16.521 1.00 1.00 H new ATOM 0 HB3 GLU A 20 60.792 1.844 -15.639 1.00 1.00 H new ATOM 0 HG2 GLU A 20 62.665 4.124 -14.832 1.00 1.00 H new ATOM 0 HG3 GLU A 20 61.393 4.352 -16.016 1.00 1.00 H new ATOM 336 N ARG A 21 63.147 -0.342 -15.957 1.00 1.00 N ATOM 337 CA ARG A 21 63.057 -1.723 -16.440 1.00 1.00 C ATOM 338 C ARG A 21 63.396 -2.740 -15.328 1.00 1.00 C ATOM 339 O ARG A 21 62.660 -3.712 -15.148 1.00 1.00 O ATOM 340 CB ARG A 21 63.992 -1.936 -17.639 1.00 1.00 C ATOM 341 CG ARG A 21 63.680 -3.301 -18.283 1.00 1.00 C ATOM 342 CD ARG A 21 64.528 -3.531 -19.545 1.00 1.00 C ATOM 343 NE ARG A 21 64.245 -4.857 -20.092 1.00 1.00 N ATOM 344 CZ ARG A 21 64.702 -5.229 -21.285 1.00 1.00 C ATOM 345 NH1 ARG A 21 65.420 -4.404 -21.996 1.00 1.00 N ATOM 346 NH2 ARG A 21 64.430 -6.421 -21.746 1.00 1.00 N ATOM 0 H ARG A 21 63.692 0.289 -16.545 1.00 1.00 H new ATOM 0 HA ARG A 21 62.026 -1.891 -16.751 1.00 1.00 H new ATOM 0 HB2 ARG A 21 63.858 -1.137 -18.368 1.00 1.00 H new ATOM 0 HB3 ARG A 21 65.032 -1.901 -17.316 1.00 1.00 H new ATOM 0 HG2 ARG A 21 63.872 -4.097 -17.564 1.00 1.00 H new ATOM 0 HG3 ARG A 21 62.622 -3.351 -18.539 1.00 1.00 H new ATOM 0 HD2 ARG A 21 64.307 -2.765 -20.288 1.00 1.00 H new ATOM 0 HD3 ARG A 21 65.588 -3.445 -19.304 1.00 1.00 H new ATOM 0 HE ARG A 21 63.684 -5.512 -19.547 1.00 1.00 H new ATOM 0 HH11 ARG A 21 65.632 -3.473 -21.638 1.00 1.00 H new ATOM 0 HH12 ARG A 21 65.770 -4.690 -22.910 1.00 1.00 H new ATOM 0 HH21 ARG A 21 63.867 -7.066 -21.191 1.00 1.00 H new ATOM 0 HH22 ARG A 21 64.780 -6.706 -22.661 1.00 1.00 H new ATOM 360 N VAL A 22 64.493 -2.546 -14.597 1.00 1.00 N ATOM 361 CA VAL A 22 64.877 -3.496 -13.532 1.00 1.00 C ATOM 362 C VAL A 22 63.939 -3.434 -12.303 1.00 1.00 C ATOM 363 O VAL A 22 63.532 -4.467 -11.771 1.00 1.00 O ATOM 364 CB VAL A 22 66.320 -3.191 -13.112 1.00 1.00 C ATOM 365 CG1 VAL A 22 66.741 -4.102 -11.956 1.00 1.00 C ATOM 366 CG2 VAL A 22 67.244 -3.422 -14.312 1.00 1.00 C ATOM 0 H VAL A 22 65.128 -1.756 -14.713 1.00 1.00 H new ATOM 0 HA VAL A 22 64.791 -4.507 -13.930 1.00 1.00 H new ATOM 0 HB VAL A 22 66.389 -2.155 -12.781 1.00 1.00 H new ATOM 0 HG11 VAL A 22 67.767 -3.874 -11.668 1.00 1.00 H new ATOM 0 HG12 VAL A 22 66.081 -3.938 -11.104 1.00 1.00 H new ATOM 0 HG13 VAL A 22 66.675 -5.143 -12.271 1.00 1.00 H new ATOM 0 HG21 VAL A 22 68.274 -3.208 -14.025 1.00 1.00 H new ATOM 0 HG22 VAL A 22 67.166 -4.460 -14.637 1.00 1.00 H new ATOM 0 HG23 VAL A 22 66.951 -2.763 -15.129 1.00 1.00 H new ATOM 376 N ILE A 23 63.698 -2.227 -11.809 1.00 1.00 N ATOM 377 CA ILE A 23 62.909 -2.060 -10.569 1.00 1.00 C ATOM 378 C ILE A 23 61.656 -2.975 -10.563 1.00 1.00 C ATOM 379 O ILE A 23 61.384 -3.592 -9.532 1.00 1.00 O ATOM 380 CB ILE A 23 62.516 -0.574 -10.358 1.00 1.00 C ATOM 381 CG1 ILE A 23 63.774 0.244 -9.976 1.00 1.00 C ATOM 382 CG2 ILE A 23 61.492 -0.444 -9.210 1.00 1.00 C ATOM 383 CD1 ILE A 23 63.486 1.745 -10.126 1.00 1.00 C ATOM 0 H ILE A 23 64.025 -1.357 -12.229 1.00 1.00 H new ATOM 0 HA ILE A 23 63.540 -2.365 -9.734 1.00 1.00 H new ATOM 0 HB ILE A 23 62.080 -0.200 -11.284 1.00 1.00 H new ATOM 0 HG12 ILE A 23 64.065 0.021 -8.950 1.00 1.00 H new ATOM 0 HG13 ILE A 23 64.611 -0.040 -10.614 1.00 1.00 H new ATOM 0 HG21 ILE A 23 61.227 0.605 -9.076 1.00 1.00 H new ATOM 0 HG22 ILE A 23 60.597 -1.016 -9.455 1.00 1.00 H new ATOM 0 HG23 ILE A 23 61.928 -0.829 -8.288 1.00 1.00 H new ATOM 0 HD11 ILE A 23 64.375 2.315 -9.856 1.00 1.00 H new ATOM 0 HD12 ILE A 23 63.216 1.962 -11.159 1.00 1.00 H new ATOM 0 HD13 ILE A 23 62.662 2.025 -9.469 1.00 1.00 H new ATOM 395 N GLU A 24 60.915 -3.131 -11.660 1.00 1.00 N ATOM 396 CA GLU A 24 59.763 -4.057 -11.621 1.00 1.00 C ATOM 397 C GLU A 24 60.238 -5.443 -11.155 1.00 1.00 C ATOM 398 O GLU A 24 59.635 -6.073 -10.292 1.00 1.00 O ATOM 399 CB GLU A 24 59.155 -4.193 -13.025 1.00 1.00 C ATOM 400 CG GLU A 24 57.932 -5.117 -12.971 1.00 1.00 C ATOM 401 CD GLU A 24 57.200 -5.099 -14.309 1.00 1.00 C ATOM 402 OE1 GLU A 24 57.540 -4.274 -15.139 1.00 1.00 O ATOM 403 OE2 GLU A 24 56.310 -5.914 -14.484 1.00 1.00 O ATOM 0 H GLU A 24 61.072 -2.658 -12.550 1.00 1.00 H new ATOM 0 HA GLU A 24 59.015 -3.664 -10.932 1.00 1.00 H new ATOM 0 HB2 GLU A 24 58.866 -3.212 -13.403 1.00 1.00 H new ATOM 0 HB3 GLU A 24 59.896 -4.595 -13.716 1.00 1.00 H new ATOM 0 HG2 GLU A 24 58.245 -6.134 -12.733 1.00 1.00 H new ATOM 0 HG3 GLU A 24 57.259 -4.796 -12.176 1.00 1.00 H new ATOM 410 N LYS A 25 61.268 -5.934 -11.828 1.00 1.00 N ATOM 411 CA LYS A 25 61.751 -7.305 -11.552 1.00 1.00 C ATOM 412 C LYS A 25 61.897 -7.502 -10.024 1.00 1.00 C ATOM 413 O LYS A 25 61.331 -8.440 -9.467 1.00 1.00 O ATOM 414 CB LYS A 25 63.118 -7.575 -12.252 1.00 1.00 C ATOM 415 CG LYS A 25 63.449 -9.089 -12.146 1.00 1.00 C ATOM 416 CD LYS A 25 64.902 -9.386 -12.574 1.00 1.00 C ATOM 417 CE LYS A 25 65.221 -8.705 -13.908 1.00 1.00 C ATOM 418 NZ LYS A 25 66.468 -9.298 -14.467 1.00 1.00 N ATOM 0 H LYS A 25 61.782 -5.431 -12.552 1.00 1.00 H new ATOM 0 HA LYS A 25 61.023 -8.012 -11.949 1.00 1.00 H new ATOM 0 HB2 LYS A 25 63.072 -7.272 -13.298 1.00 1.00 H new ATOM 0 HB3 LYS A 25 63.905 -6.984 -11.783 1.00 1.00 H new ATOM 0 HG2 LYS A 25 63.296 -9.424 -11.120 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.761 -9.657 -12.773 1.00 1.00 H new ATOM 0 HD2 LYS A 25 65.592 -9.035 -11.806 1.00 1.00 H new ATOM 0 HD3 LYS A 25 65.047 -10.462 -12.665 1.00 1.00 H new ATOM 0 HE2 LYS A 25 64.395 -8.838 -14.606 1.00 1.00 H new ATOM 0 HE3 LYS A 25 65.346 -7.632 -13.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 66.693 -8.842 -15.374 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 67.252 -9.149 -13.800 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 66.330 -10.318 -14.617 1.00 1.00 H new ATOM 432 N ASN A 26 62.645 -6.622 -9.367 1.00 1.00 N ATOM 433 CA ASN A 26 62.870 -6.686 -7.922 1.00 1.00 C ATOM 434 C ASN A 26 61.559 -6.760 -7.120 1.00 1.00 C ATOM 435 O ASN A 26 61.525 -7.200 -5.971 1.00 1.00 O ATOM 436 CB ASN A 26 63.617 -5.407 -7.544 1.00 1.00 C ATOM 437 CG ASN A 26 65.036 -5.462 -8.107 1.00 1.00 C ATOM 438 OD1 ASN A 26 65.981 -5.759 -7.378 1.00 1.00 O ATOM 439 ND2 ASN A 26 65.232 -5.219 -9.371 1.00 1.00 N ATOM 0 H ASN A 26 63.116 -5.839 -9.821 1.00 1.00 H new ATOM 0 HA ASN A 26 63.431 -7.590 -7.685 1.00 1.00 H new ATOM 0 HB2 ASN A 26 63.092 -4.536 -7.937 1.00 1.00 H new ATOM 0 HB3 ASN A 26 63.648 -5.298 -6.460 1.00 1.00 H new ATOM 0 HD21 ASN A 26 66.173 -5.275 -9.761 1.00 1.00 H new ATOM 0 HD22 ASN A 26 64.445 -4.973 -9.971 1.00 1.00 H new ATOM 446 N LYS A 27 60.543 -6.175 -7.711 1.00 1.00 N ATOM 447 CA LYS A 27 59.257 -6.000 -7.031 1.00 1.00 C ATOM 448 C LYS A 27 58.706 -7.279 -6.364 1.00 1.00 C ATOM 449 O LYS A 27 58.328 -7.219 -5.193 1.00 1.00 O ATOM 450 CB LYS A 27 58.227 -5.454 -8.025 1.00 1.00 C ATOM 451 CG LYS A 27 57.005 -4.864 -7.286 1.00 1.00 C ATOM 452 CD LYS A 27 56.092 -4.201 -8.321 1.00 1.00 C ATOM 453 CE LYS A 27 54.864 -3.618 -7.618 1.00 1.00 C ATOM 454 NZ LYS A 27 55.306 -2.731 -6.506 1.00 1.00 N ATOM 0 H LYS A 27 60.571 -5.808 -8.662 1.00 1.00 H new ATOM 0 HA LYS A 27 59.438 -5.295 -6.219 1.00 1.00 H new ATOM 0 HB2 LYS A 27 58.687 -4.685 -8.646 1.00 1.00 H new ATOM 0 HB3 LYS A 27 57.902 -6.252 -8.693 1.00 1.00 H new ATOM 0 HG2 LYS A 27 56.468 -5.649 -6.753 1.00 1.00 H new ATOM 0 HG3 LYS A 27 57.327 -4.136 -6.541 1.00 1.00 H new ATOM 0 HD2 LYS A 27 56.632 -3.413 -8.846 1.00 1.00 H new ATOM 0 HD3 LYS A 27 55.784 -4.930 -9.070 1.00 1.00 H new ATOM 0 HE2 LYS A 27 54.258 -3.055 -8.328 1.00 1.00 H new ATOM 0 HE3 LYS A 27 54.238 -4.421 -7.230 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 54.545 -2.061 -6.273 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 55.528 -3.308 -5.669 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 56.154 -2.204 -6.798 1.00 1.00 H new ATOM 468 N TYR A 28 58.612 -8.420 -7.064 1.00 1.00 N ATOM 469 CA TYR A 28 58.047 -9.657 -6.458 1.00 1.00 C ATOM 470 C TYR A 28 59.130 -10.657 -5.993 1.00 1.00 C ATOM 471 O TYR A 28 58.798 -11.785 -5.624 1.00 1.00 O ATOM 472 CB TYR A 28 57.124 -10.333 -7.507 1.00 1.00 C ATOM 473 CG TYR A 28 55.796 -9.591 -7.603 1.00 1.00 C ATOM 474 CD1 TYR A 28 54.782 -9.858 -6.674 1.00 1.00 C ATOM 475 CD2 TYR A 28 55.582 -8.642 -8.615 1.00 1.00 C ATOM 476 CE1 TYR A 28 53.558 -9.180 -6.755 1.00 1.00 C ATOM 477 CE2 TYR A 28 54.357 -7.965 -8.695 1.00 1.00 C ATOM 478 CZ TYR A 28 53.346 -8.234 -7.766 1.00 1.00 C ATOM 479 OH TYR A 28 52.140 -7.566 -7.847 1.00 1.00 O ATOM 0 H TYR A 28 58.911 -8.522 -8.034 1.00 1.00 H new ATOM 0 HA TYR A 28 57.492 -9.370 -5.565 1.00 1.00 H new ATOM 0 HB2 TYR A 28 57.614 -10.341 -8.480 1.00 1.00 H new ATOM 0 HB3 TYR A 28 56.948 -11.372 -7.230 1.00 1.00 H new ATOM 0 HD1 TYR A 28 54.944 -10.587 -5.894 1.00 1.00 H new ATOM 0 HD2 TYR A 28 56.362 -8.433 -9.333 1.00 1.00 H new ATOM 0 HE1 TYR A 28 52.778 -9.387 -6.037 1.00 1.00 H new ATOM 0 HE2 TYR A 28 54.194 -7.235 -9.474 1.00 1.00 H new ATOM 0 HH TYR A 28 52.160 -6.945 -8.605 1.00 1.00 H new ATOM 489 N GLU A 29 60.412 -10.270 -6.030 1.00 1.00 N ATOM 490 CA GLU A 29 61.520 -11.189 -5.634 1.00 1.00 C ATOM 491 C GLU A 29 62.376 -10.688 -4.462 1.00 1.00 C ATOM 492 O GLU A 29 63.260 -11.424 -4.021 1.00 1.00 O ATOM 493 CB GLU A 29 62.450 -11.428 -6.831 1.00 1.00 C ATOM 494 CG GLU A 29 63.015 -10.109 -7.317 1.00 1.00 C ATOM 495 CD GLU A 29 63.807 -10.319 -8.602 1.00 1.00 C ATOM 496 OE1 GLU A 29 63.372 -11.114 -9.419 1.00 1.00 O ATOM 497 OE2 GLU A 29 64.835 -9.680 -8.753 1.00 1.00 O ATOM 0 H GLU A 29 60.719 -9.343 -6.324 1.00 1.00 H new ATOM 0 HA GLU A 29 61.029 -12.105 -5.305 1.00 1.00 H new ATOM 0 HB2 GLU A 29 63.261 -12.097 -6.544 1.00 1.00 H new ATOM 0 HB3 GLU A 29 61.902 -11.918 -7.636 1.00 1.00 H new ATOM 0 HG2 GLU A 29 62.206 -9.400 -7.492 1.00 1.00 H new ATOM 0 HG3 GLU A 29 63.658 -9.676 -6.551 1.00 1.00 H new ATOM 504 N LEU A 30 62.135 -9.462 -3.932 1.00 1.00 N ATOM 505 CA LEU A 30 62.927 -8.933 -2.782 1.00 1.00 C ATOM 506 C LEU A 30 61.993 -8.898 -1.578 1.00 1.00 C ATOM 507 O LEU A 30 61.942 -9.867 -0.820 1.00 1.00 O ATOM 508 CB LEU A 30 63.535 -7.560 -3.167 1.00 1.00 C ATOM 509 CG LEU A 30 64.214 -6.853 -1.977 1.00 1.00 C ATOM 510 CD1 LEU A 30 65.263 -7.780 -1.340 1.00 1.00 C ATOM 511 CD2 LEU A 30 64.907 -5.557 -2.469 1.00 1.00 C ATOM 0 H LEU A 30 61.413 -8.827 -4.272 1.00 1.00 H new ATOM 0 HA LEU A 30 63.779 -9.562 -2.523 1.00 1.00 H new ATOM 0 HB2 LEU A 30 64.265 -7.702 -3.964 1.00 1.00 H new ATOM 0 HB3 LEU A 30 62.749 -6.918 -3.565 1.00 1.00 H new ATOM 0 HG LEU A 30 63.456 -6.605 -1.234 1.00 1.00 H new ATOM 0 HD11 LEU A 30 65.737 -7.271 -0.501 1.00 1.00 H new ATOM 0 HD12 LEU A 30 64.778 -8.689 -0.986 1.00 1.00 H new ATOM 0 HD13 LEU A 30 66.019 -8.037 -2.082 1.00 1.00 H new ATOM 0 HD21 LEU A 30 65.386 -5.058 -1.627 1.00 1.00 H new ATOM 0 HD22 LEU A 30 65.658 -5.808 -3.218 1.00 1.00 H new ATOM 0 HD23 LEU A 30 64.164 -4.892 -2.909 1.00 1.00 H new ATOM 523 N SER A 31 61.191 -7.859 -1.430 1.00 1.00 N ATOM 524 CA SER A 31 60.213 -7.831 -0.355 1.00 1.00 C ATOM 525 C SER A 31 59.600 -6.436 -0.303 1.00 1.00 C ATOM 526 O SER A 31 60.088 -5.530 -0.974 1.00 1.00 O ATOM 527 CB SER A 31 60.857 -8.251 0.992 1.00 1.00 C ATOM 528 OG SER A 31 62.250 -8.031 0.919 1.00 1.00 O ATOM 0 H SER A 31 61.195 -7.034 -2.030 1.00 1.00 H new ATOM 0 HA SER A 31 59.419 -8.554 -0.544 1.00 1.00 H new ATOM 0 HB2 SER A 31 60.427 -7.676 1.812 1.00 1.00 H new ATOM 0 HB3 SER A 31 60.651 -9.301 1.197 1.00 1.00 H new ATOM 0 HG SER A 31 62.718 -8.728 1.425 1.00 1.00 H new ATOM 534 N ASP A 32 58.532 -6.243 0.461 1.00 1.00 N ATOM 535 CA ASP A 32 57.930 -4.911 0.490 1.00 1.00 C ATOM 536 C ASP A 32 58.749 -3.900 1.320 1.00 1.00 C ATOM 537 O ASP A 32 59.122 -2.858 0.792 1.00 1.00 O ATOM 538 CB ASP A 32 56.520 -5.034 1.063 1.00 1.00 C ATOM 539 CG ASP A 32 55.861 -3.663 1.183 1.00 1.00 C ATOM 540 OD1 ASP A 32 55.794 -2.969 0.182 1.00 1.00 O ATOM 541 OD2 ASP A 32 55.435 -3.328 2.275 1.00 1.00 O ATOM 0 H ASP A 32 58.081 -6.950 1.042 1.00 1.00 H new ATOM 0 HA ASP A 32 57.908 -4.527 -0.530 1.00 1.00 H new ATOM 0 HB2 ASP A 32 55.917 -5.677 0.422 1.00 1.00 H new ATOM 0 HB3 ASP A 32 56.561 -5.509 2.043 1.00 1.00 H new ATOM 546 N ASP A 33 58.902 -4.103 2.644 1.00 1.00 N ATOM 547 CA ASP A 33 59.540 -3.045 3.463 1.00 1.00 C ATOM 548 C ASP A 33 60.954 -2.756 2.951 1.00 1.00 C ATOM 549 O ASP A 33 61.499 -1.657 3.029 1.00 1.00 O ATOM 550 CB ASP A 33 59.605 -3.475 4.929 1.00 1.00 C ATOM 551 CG ASP A 33 60.021 -2.292 5.797 1.00 1.00 C ATOM 552 OD1 ASP A 33 60.922 -1.575 5.395 1.00 1.00 O ATOM 553 OD2 ASP A 33 59.428 -2.118 6.850 1.00 1.00 O ATOM 0 H ASP A 33 58.612 -4.940 3.150 1.00 1.00 H new ATOM 0 HA ASP A 33 58.939 -2.139 3.382 1.00 1.00 H new ATOM 0 HB2 ASP A 33 58.633 -3.850 5.251 1.00 1.00 H new ATOM 0 HB3 ASP A 33 60.317 -4.292 5.047 1.00 1.00 H new ATOM 558 N GLU A 34 61.499 -3.858 2.462 1.00 1.00 N ATOM 559 CA GLU A 34 62.863 -3.893 1.940 1.00 1.00 C ATOM 560 C GLU A 34 62.980 -2.820 0.859 1.00 1.00 C ATOM 561 O GLU A 34 63.950 -2.070 0.838 1.00 1.00 O ATOM 562 CB GLU A 34 63.232 -5.298 1.401 1.00 1.00 C ATOM 563 CG GLU A 34 63.535 -6.294 2.575 1.00 1.00 C ATOM 564 CD GLU A 34 64.506 -7.396 2.134 1.00 1.00 C ATOM 565 OE1 GLU A 34 65.588 -7.063 1.681 1.00 1.00 O ATOM 566 OE2 GLU A 34 64.152 -8.556 2.267 1.00 1.00 O ATOM 0 H GLU A 34 61.013 -4.753 2.414 1.00 1.00 H new ATOM 0 HA GLU A 34 63.573 -3.686 2.741 1.00 1.00 H new ATOM 0 HB2 GLU A 34 62.413 -5.685 0.795 1.00 1.00 H new ATOM 0 HB3 GLU A 34 64.103 -5.223 0.750 1.00 1.00 H new ATOM 0 HG2 GLU A 34 63.960 -5.748 3.418 1.00 1.00 H new ATOM 0 HG3 GLU A 34 62.605 -6.744 2.923 1.00 1.00 H new ATOM 573 N LEU A 35 62.044 -2.799 -0.077 1.00 1.00 N ATOM 574 CA LEU A 35 62.110 -1.866 -1.198 1.00 1.00 C ATOM 575 C LEU A 35 62.553 -0.453 -0.757 1.00 1.00 C ATOM 576 O LEU A 35 63.026 0.310 -1.599 1.00 1.00 O ATOM 577 CB LEU A 35 60.723 -1.804 -1.896 1.00 1.00 C ATOM 578 CG LEU A 35 60.390 -3.053 -2.845 1.00 1.00 C ATOM 579 CD1 LEU A 35 60.105 -2.579 -4.279 1.00 1.00 C ATOM 580 CD2 LEU A 35 61.510 -4.122 -2.942 1.00 1.00 C ATOM 0 H LEU A 35 61.231 -3.414 -0.086 1.00 1.00 H new ATOM 0 HA LEU A 35 62.863 -2.231 -1.897 1.00 1.00 H new ATOM 0 HB2 LEU A 35 59.950 -1.731 -1.131 1.00 1.00 H new ATOM 0 HB3 LEU A 35 60.671 -0.891 -2.489 1.00 1.00 H new ATOM 0 HG LEU A 35 59.523 -3.517 -2.375 1.00 1.00 H new ATOM 0 HD11 LEU A 35 59.881 -3.440 -4.909 1.00 1.00 H new ATOM 0 HD12 LEU A 35 59.252 -1.900 -4.275 1.00 1.00 H new ATOM 0 HD13 LEU A 35 60.980 -2.060 -4.671 1.00 1.00 H new ATOM 0 HD21 LEU A 35 61.190 -4.925 -3.606 1.00 1.00 H new ATOM 0 HD22 LEU A 35 62.417 -3.664 -3.337 1.00 1.00 H new ATOM 0 HD23 LEU A 35 61.711 -4.529 -1.951 1.00 1.00 H new ATOM 592 N GLU A 36 62.459 -0.096 0.524 1.00 1.00 N ATOM 593 CA GLU A 36 62.935 1.235 0.923 1.00 1.00 C ATOM 594 C GLU A 36 64.422 1.338 0.535 1.00 1.00 C ATOM 595 O GLU A 36 64.925 2.374 0.145 1.00 1.00 O ATOM 596 CB GLU A 36 62.746 1.464 2.423 1.00 1.00 C ATOM 597 CG GLU A 36 61.252 1.530 2.746 1.00 1.00 C ATOM 598 CD GLU A 36 61.057 1.889 4.213 1.00 1.00 C ATOM 599 OE1 GLU A 36 61.932 2.534 4.764 1.00 1.00 O ATOM 600 OE2 GLU A 36 60.037 1.511 4.764 1.00 1.00 O ATOM 0 H GLU A 36 62.078 -0.674 1.273 1.00 1.00 H new ATOM 0 HA GLU A 36 62.357 2.005 0.412 1.00 1.00 H new ATOM 0 HB2 GLU A 36 63.215 0.658 2.987 1.00 1.00 H new ATOM 0 HB3 GLU A 36 63.235 2.390 2.725 1.00 1.00 H new ATOM 0 HG2 GLU A 36 60.766 2.272 2.113 1.00 1.00 H new ATOM 0 HG3 GLU A 36 60.781 0.571 2.531 1.00 1.00 H new ATOM 607 N LEU A 37 65.079 0.191 0.652 1.00 1.00 N ATOM 608 CA LEU A 37 66.501 0.082 0.291 1.00 1.00 C ATOM 609 C LEU A 37 66.620 0.496 -1.180 1.00 1.00 C ATOM 610 O LEU A 37 67.400 1.376 -1.539 1.00 1.00 O ATOM 611 CB LEU A 37 67.001 -1.382 0.425 1.00 1.00 C ATOM 612 CG LEU A 37 67.174 -1.784 1.921 1.00 1.00 C ATOM 613 CD1 LEU A 37 67.083 -3.310 2.070 1.00 1.00 C ATOM 614 CD2 LEU A 37 68.547 -1.333 2.458 1.00 1.00 C ATOM 0 H LEU A 37 64.661 -0.675 0.991 1.00 1.00 H new ATOM 0 HA LEU A 37 67.097 0.712 0.951 1.00 1.00 H new ATOM 0 HB2 LEU A 37 66.293 -2.056 -0.056 1.00 1.00 H new ATOM 0 HB3 LEU A 37 67.952 -1.494 -0.097 1.00 1.00 H new ATOM 0 HG LEU A 37 66.381 -1.296 2.487 1.00 1.00 H new ATOM 0 HD11 LEU A 37 67.205 -3.581 3.119 1.00 1.00 H new ATOM 0 HD12 LEU A 37 66.110 -3.653 1.717 1.00 1.00 H new ATOM 0 HD13 LEU A 37 67.869 -3.781 1.480 1.00 1.00 H new ATOM 0 HD21 LEU A 37 68.643 -1.625 3.504 1.00 1.00 H new ATOM 0 HD22 LEU A 37 69.338 -1.805 1.875 1.00 1.00 H new ATOM 0 HD23 LEU A 37 68.632 -0.249 2.375 1.00 1.00 H new ATOM 626 N PHE A 38 65.864 -0.198 -2.014 1.00 1.00 N ATOM 627 CA PHE A 38 65.859 -0.006 -3.463 1.00 1.00 C ATOM 628 C PHE A 38 65.440 1.414 -3.877 1.00 1.00 C ATOM 629 O PHE A 38 65.992 1.978 -4.802 1.00 1.00 O ATOM 630 CB PHE A 38 64.893 -1.083 -4.081 1.00 1.00 C ATOM 631 CG PHE A 38 65.533 -1.826 -5.235 1.00 1.00 C ATOM 632 CD1 PHE A 38 66.431 -2.860 -4.964 1.00 1.00 C ATOM 633 CD2 PHE A 38 65.224 -1.487 -6.551 1.00 1.00 C ATOM 634 CE1 PHE A 38 67.026 -3.560 -6.008 1.00 1.00 C ATOM 635 CE2 PHE A 38 65.813 -2.181 -7.607 1.00 1.00 C ATOM 636 CZ PHE A 38 66.719 -3.221 -7.341 1.00 1.00 C ATOM 0 H PHE A 38 65.222 -0.926 -1.701 1.00 1.00 H new ATOM 0 HA PHE A 38 66.874 -0.130 -3.841 1.00 1.00 H new ATOM 0 HB2 PHE A 38 64.603 -1.795 -3.308 1.00 1.00 H new ATOM 0 HB3 PHE A 38 63.980 -0.596 -4.425 1.00 1.00 H new ATOM 0 HD1 PHE A 38 66.664 -3.117 -3.941 1.00 1.00 H new ATOM 0 HD2 PHE A 38 64.528 -0.686 -6.753 1.00 1.00 H new ATOM 0 HE1 PHE A 38 67.720 -4.360 -5.798 1.00 1.00 H new ATOM 0 HE2 PHE A 38 65.573 -1.920 -8.627 1.00 1.00 H new ATOM 0 HZ PHE A 38 67.179 -3.760 -8.156 1.00 1.00 H new ATOM 646 N TYR A 39 64.534 2.007 -3.122 1.00 1.00 N ATOM 647 CA TYR A 39 64.135 3.410 -3.367 1.00 1.00 C ATOM 648 C TYR A 39 65.141 4.361 -2.706 1.00 1.00 C ATOM 649 O TYR A 39 65.699 5.251 -3.357 1.00 1.00 O ATOM 650 CB TYR A 39 62.693 3.687 -2.948 1.00 1.00 C ATOM 651 CG TYR A 39 61.761 3.111 -3.992 1.00 1.00 C ATOM 652 CD1 TYR A 39 61.608 3.768 -5.219 1.00 1.00 C ATOM 653 CD2 TYR A 39 61.067 1.917 -3.742 1.00 1.00 C ATOM 654 CE1 TYR A 39 60.757 3.234 -6.196 1.00 1.00 C ATOM 655 CE2 TYR A 39 60.220 1.382 -4.718 1.00 1.00 C ATOM 656 CZ TYR A 39 60.064 2.040 -5.945 1.00 1.00 C ATOM 657 OH TYR A 39 59.229 1.512 -6.909 1.00 1.00 O ATOM 0 H TYR A 39 64.057 1.559 -2.340 1.00 1.00 H new ATOM 0 HA TYR A 39 64.158 3.592 -4.442 1.00 1.00 H new ATOM 0 HB2 TYR A 39 62.491 3.240 -1.974 1.00 1.00 H new ATOM 0 HB3 TYR A 39 62.529 4.760 -2.847 1.00 1.00 H new ATOM 0 HD1 TYR A 39 62.145 4.685 -5.412 1.00 1.00 H new ATOM 0 HD2 TYR A 39 61.187 1.411 -2.795 1.00 1.00 H new ATOM 0 HE1 TYR A 39 60.635 3.741 -7.142 1.00 1.00 H new ATOM 0 HE2 TYR A 39 59.687 0.463 -4.526 1.00 1.00 H new ATOM 0 HH TYR A 39 58.827 0.683 -6.575 1.00 1.00 H new ATOM 667 N SER A 40 65.379 4.182 -1.440 1.00 1.00 N ATOM 668 CA SER A 40 66.321 5.033 -0.737 1.00 1.00 C ATOM 669 C SER A 40 67.707 4.979 -1.386 1.00 1.00 C ATOM 670 O SER A 40 68.419 5.982 -1.432 1.00 1.00 O ATOM 671 CB SER A 40 66.423 4.575 0.712 1.00 1.00 C ATOM 672 OG SER A 40 67.159 5.535 1.456 1.00 1.00 O ATOM 0 H SER A 40 64.941 3.461 -0.867 1.00 1.00 H new ATOM 0 HA SER A 40 65.961 6.061 -0.785 1.00 1.00 H new ATOM 0 HB2 SER A 40 65.427 4.453 1.138 1.00 1.00 H new ATOM 0 HB3 SER A 40 66.913 3.603 0.765 1.00 1.00 H new ATOM 0 HG SER A 40 67.225 5.244 2.390 1.00 1.00 H new ATOM 678 N ALA A 41 68.097 3.788 -1.868 1.00 1.00 N ATOM 679 CA ALA A 41 69.435 3.638 -2.489 1.00 1.00 C ATOM 680 C ALA A 41 69.438 4.196 -3.918 1.00 1.00 C ATOM 681 O ALA A 41 70.240 5.062 -4.255 1.00 1.00 O ATOM 682 CB ALA A 41 69.860 2.169 -2.508 1.00 1.00 C ATOM 0 H ALA A 41 67.532 2.939 -1.845 1.00 1.00 H new ATOM 0 HA ALA A 41 70.147 4.205 -1.889 1.00 1.00 H new ATOM 0 HB1 ALA A 41 70.844 2.081 -2.968 1.00 1.00 H new ATOM 0 HB2 ALA A 41 69.901 1.789 -1.487 1.00 1.00 H new ATOM 0 HB3 ALA A 41 69.138 1.589 -3.083 1.00 1.00 H new ATOM 688 N ALA A 42 68.592 3.624 -4.767 1.00 1.00 N ATOM 689 CA ALA A 42 68.543 3.979 -6.190 1.00 1.00 C ATOM 690 C ALA A 42 68.423 5.476 -6.486 1.00 1.00 C ATOM 691 O ALA A 42 68.961 5.950 -7.479 1.00 1.00 O ATOM 692 CB ALA A 42 67.321 3.316 -6.812 1.00 1.00 C ATOM 0 H ALA A 42 67.922 2.904 -4.496 1.00 1.00 H new ATOM 0 HA ALA A 42 69.494 3.642 -6.603 1.00 1.00 H new ATOM 0 HB1 ALA A 42 67.269 3.570 -7.871 1.00 1.00 H new ATOM 0 HB2 ALA A 42 67.398 2.234 -6.701 1.00 1.00 H new ATOM 0 HB3 ALA A 42 66.420 3.669 -6.310 1.00 1.00 H new ATOM 698 N ASP A 43 67.690 6.225 -5.664 1.00 1.00 N ATOM 699 CA ASP A 43 67.514 7.658 -5.935 1.00 1.00 C ATOM 700 C ASP A 43 68.887 8.307 -6.142 1.00 1.00 C ATOM 701 O ASP A 43 69.079 9.085 -7.054 1.00 1.00 O ATOM 702 CB ASP A 43 66.750 8.321 -4.764 1.00 1.00 C ATOM 703 CG ASP A 43 66.028 9.592 -5.223 1.00 1.00 C ATOM 704 OD1 ASP A 43 66.432 10.150 -6.228 1.00 1.00 O ATOM 705 OD2 ASP A 43 65.081 9.984 -4.558 1.00 1.00 O ATOM 0 H ASP A 43 67.219 5.881 -4.827 1.00 1.00 H new ATOM 0 HA ASP A 43 66.927 7.797 -6.843 1.00 1.00 H new ATOM 0 HB2 ASP A 43 66.027 7.617 -4.353 1.00 1.00 H new ATOM 0 HB3 ASP A 43 67.448 8.565 -3.963 1.00 1.00 H new ATOM 710 N HIS A 44 69.785 7.992 -5.221 1.00 1.00 N ATOM 711 CA HIS A 44 71.135 8.570 -5.213 1.00 1.00 C ATOM 712 C HIS A 44 71.714 8.629 -6.648 1.00 1.00 C ATOM 713 O HIS A 44 72.377 9.597 -7.021 1.00 1.00 O ATOM 714 CB HIS A 44 72.049 7.710 -4.335 1.00 1.00 C ATOM 715 CG HIS A 44 71.688 7.874 -2.882 1.00 1.00 C ATOM 716 ND1 HIS A 44 70.376 7.880 -2.435 1.00 1.00 N ATOM 717 CD2 HIS A 44 72.467 8.038 -1.764 1.00 1.00 C ATOM 718 CE1 HIS A 44 70.405 8.042 -1.099 1.00 1.00 C ATOM 719 NE2 HIS A 44 71.656 8.145 -0.639 1.00 1.00 N ATOM 0 H HIS A 44 69.608 7.335 -4.461 1.00 1.00 H new ATOM 0 HA HIS A 44 71.078 9.584 -4.816 1.00 1.00 H new ATOM 0 HB2 HIS A 44 71.959 6.662 -4.622 1.00 1.00 H new ATOM 0 HB3 HIS A 44 73.089 7.996 -4.492 1.00 1.00 H new ATOM 0 HD2 HIS A 44 73.546 8.078 -1.759 1.00 1.00 H new ATOM 0 HE1 HIS A 44 69.525 8.084 -0.475 1.00 1.00 H new ATOM 0 HE2 HIS A 44 71.952 8.274 0.329 1.00 1.00 H new ATOM 728 N ARG A 45 71.442 7.599 -7.431 1.00 1.00 N ATOM 729 CA ARG A 45 71.898 7.501 -8.824 1.00 1.00 C ATOM 730 C ARG A 45 71.164 8.513 -9.750 1.00 1.00 C ATOM 731 O ARG A 45 71.560 8.737 -10.876 1.00 1.00 O ATOM 732 CB ARG A 45 71.693 6.042 -9.304 1.00 1.00 C ATOM 733 CG ARG A 45 71.920 5.878 -10.831 1.00 1.00 C ATOM 734 CD ARG A 45 73.334 6.343 -11.296 1.00 1.00 C ATOM 735 NE ARG A 45 73.559 5.938 -12.678 1.00 1.00 N ATOM 736 CZ ARG A 45 74.735 6.135 -13.270 1.00 1.00 C ATOM 737 NH1 ARG A 45 75.732 6.637 -12.593 1.00 1.00 N ATOM 738 NH2 ARG A 45 74.896 5.813 -14.525 1.00 1.00 N ATOM 0 H ARG A 45 70.894 6.796 -7.123 1.00 1.00 H new ATOM 0 HA ARG A 45 72.955 7.760 -8.874 1.00 1.00 H new ATOM 0 HB2 ARG A 45 72.378 5.387 -8.766 1.00 1.00 H new ATOM 0 HB3 ARG A 45 70.682 5.720 -9.054 1.00 1.00 H new ATOM 0 HG2 ARG A 45 71.782 4.831 -11.102 1.00 1.00 H new ATOM 0 HG3 ARG A 45 71.162 6.449 -11.368 1.00 1.00 H new ATOM 0 HD2 ARG A 45 73.418 7.426 -11.207 1.00 1.00 H new ATOM 0 HD3 ARG A 45 74.099 5.910 -10.652 1.00 1.00 H new ATOM 0 HE ARG A 45 72.803 5.496 -13.200 1.00 1.00 H new ATOM 0 HH11 ARG A 45 75.610 6.879 -11.610 1.00 1.00 H new ATOM 0 HH12 ARG A 45 76.633 6.788 -13.048 1.00 1.00 H new ATOM 0 HH21 ARG A 45 74.121 5.411 -15.052 1.00 1.00 H new ATOM 0 HH22 ARG A 45 75.797 5.964 -14.979 1.00 1.00 H new ATOM 752 N LEU A 46 70.069 9.103 -9.300 1.00 1.00 N ATOM 753 CA LEU A 46 69.328 10.064 -10.149 1.00 1.00 C ATOM 754 C LEU A 46 70.016 11.462 -10.222 1.00 1.00 C ATOM 755 O LEU A 46 70.200 12.002 -11.311 1.00 1.00 O ATOM 756 CB LEU A 46 67.879 10.163 -9.625 1.00 1.00 C ATOM 757 CG LEU A 46 66.952 10.980 -10.602 1.00 1.00 C ATOM 758 CD1 LEU A 46 65.513 10.423 -10.579 1.00 1.00 C ATOM 759 CD2 LEU A 46 66.891 12.468 -10.196 1.00 1.00 C ATOM 0 H LEU A 46 69.668 8.949 -8.375 1.00 1.00 H new ATOM 0 HA LEU A 46 69.325 9.695 -11.175 1.00 1.00 H new ATOM 0 HB2 LEU A 46 67.472 9.160 -9.493 1.00 1.00 H new ATOM 0 HB3 LEU A 46 67.880 10.638 -8.644 1.00 1.00 H new ATOM 0 HG LEU A 46 67.378 10.886 -11.601 1.00 1.00 H new ATOM 0 HD11 LEU A 46 64.888 11.001 -11.260 1.00 1.00 H new ATOM 0 HD12 LEU A 46 65.522 9.379 -10.892 1.00 1.00 H new ATOM 0 HD13 LEU A 46 65.111 10.495 -9.568 1.00 1.00 H new ATOM 0 HD21 LEU A 46 66.244 13.008 -10.888 1.00 1.00 H new ATOM 0 HD22 LEU A 46 66.493 12.553 -9.185 1.00 1.00 H new ATOM 0 HD23 LEU A 46 67.893 12.895 -10.228 1.00 1.00 H new ATOM 771 N ALA A 47 70.350 12.061 -9.069 1.00 1.00 N ATOM 772 CA ALA A 47 70.971 13.416 -9.041 1.00 1.00 C ATOM 773 C ALA A 47 72.287 13.466 -9.842 1.00 1.00 C ATOM 774 O ALA A 47 72.578 14.427 -10.553 1.00 1.00 O ATOM 775 CB ALA A 47 71.248 13.826 -7.594 1.00 1.00 C ATOM 0 H ALA A 47 70.207 11.644 -8.149 1.00 1.00 H new ATOM 0 HA ALA A 47 70.268 14.108 -9.505 1.00 1.00 H new ATOM 0 HB1 ALA A 47 71.702 14.817 -7.577 1.00 1.00 H new ATOM 0 HB2 ALA A 47 70.312 13.846 -7.036 1.00 1.00 H new ATOM 0 HB3 ALA A 47 71.928 13.108 -7.136 1.00 1.00 H new ATOM 781 N GLU A 48 73.012 12.378 -9.743 1.00 1.00 N ATOM 782 CA GLU A 48 74.260 12.256 -10.507 1.00 1.00 C ATOM 783 C GLU A 48 73.870 12.315 -11.999 1.00 1.00 C ATOM 784 O GLU A 48 74.395 13.133 -12.754 1.00 1.00 O ATOM 785 CB GLU A 48 75.119 11.025 -10.080 1.00 1.00 C ATOM 786 CG GLU A 48 74.682 9.717 -10.748 1.00 1.00 C ATOM 787 CD GLU A 48 75.325 9.538 -12.126 1.00 1.00 C ATOM 788 OE1 GLU A 48 76.398 8.959 -12.183 1.00 1.00 O ATOM 789 OE2 GLU A 48 74.738 9.971 -13.096 1.00 1.00 O ATOM 0 H GLU A 48 72.779 11.574 -9.160 1.00 1.00 H new ATOM 0 HA GLU A 48 74.941 13.080 -10.294 1.00 1.00 H new ATOM 0 HB2 GLU A 48 76.164 11.218 -10.324 1.00 1.00 H new ATOM 0 HB3 GLU A 48 75.061 10.909 -8.998 1.00 1.00 H new ATOM 0 HG2 GLU A 48 74.951 8.876 -10.110 1.00 1.00 H new ATOM 0 HG3 GLU A 48 73.597 9.706 -10.849 1.00 1.00 H new ATOM 796 N LEU A 49 72.932 11.463 -12.399 1.00 1.00 N ATOM 797 CA LEU A 49 72.436 11.424 -13.781 1.00 1.00 C ATOM 798 C LEU A 49 71.867 12.779 -14.204 1.00 1.00 C ATOM 799 O LEU A 49 72.028 13.189 -15.352 1.00 1.00 O ATOM 800 CB LEU A 49 71.331 10.353 -13.890 1.00 1.00 C ATOM 801 CG LEU A 49 71.943 8.927 -13.855 1.00 1.00 C ATOM 802 CD1 LEU A 49 70.809 7.907 -13.678 1.00 1.00 C ATOM 803 CD2 LEU A 49 72.736 8.613 -15.166 1.00 1.00 C ATOM 0 H LEU A 49 72.492 10.780 -11.782 1.00 1.00 H new ATOM 0 HA LEU A 49 73.270 11.182 -14.440 1.00 1.00 H new ATOM 0 HB2 LEU A 49 70.622 10.470 -13.070 1.00 1.00 H new ATOM 0 HB3 LEU A 49 70.773 10.492 -14.816 1.00 1.00 H new ATOM 0 HG LEU A 49 72.643 8.867 -13.021 1.00 1.00 H new ATOM 0 HD11 LEU A 49 71.226 6.900 -13.652 1.00 1.00 H new ATOM 0 HD12 LEU A 49 70.283 8.106 -12.744 1.00 1.00 H new ATOM 0 HD13 LEU A 49 70.112 7.989 -14.512 1.00 1.00 H new ATOM 0 HD21 LEU A 49 73.151 7.607 -15.108 1.00 1.00 H new ATOM 0 HD22 LEU A 49 72.065 8.680 -16.022 1.00 1.00 H new ATOM 0 HD23 LEU A 49 73.546 9.333 -15.283 1.00 1.00 H new ATOM 815 N THR A 50 71.169 13.456 -13.293 1.00 1.00 N ATOM 816 CA THR A 50 70.554 14.743 -13.630 1.00 1.00 C ATOM 817 C THR A 50 71.624 15.672 -14.216 1.00 1.00 C ATOM 818 O THR A 50 71.347 16.404 -15.167 1.00 1.00 O ATOM 819 CB THR A 50 69.860 15.325 -12.375 1.00 1.00 C ATOM 820 OG1 THR A 50 68.819 14.437 -11.988 1.00 1.00 O ATOM 821 CG2 THR A 50 69.240 16.738 -12.606 1.00 1.00 C ATOM 0 H THR A 50 71.016 13.145 -12.334 1.00 1.00 H new ATOM 0 HA THR A 50 69.782 14.623 -14.390 1.00 1.00 H new ATOM 0 HB THR A 50 70.624 15.431 -11.605 1.00 1.00 H new ATOM 0 HG1 THR A 50 69.205 13.576 -11.724 1.00 1.00 H new ATOM 0 HG21 THR A 50 68.771 17.084 -11.685 1.00 1.00 H new ATOM 0 HG22 THR A 50 70.024 17.436 -12.898 1.00 1.00 H new ATOM 0 HG23 THR A 50 68.491 16.682 -13.396 1.00 1.00 H new ATOM 829 N MET A 51 72.862 15.586 -13.713 1.00 1.00 N ATOM 830 CA MET A 51 73.984 16.370 -14.277 1.00 1.00 C ATOM 831 C MET A 51 74.721 15.390 -15.199 1.00 1.00 C ATOM 832 O MET A 51 74.301 15.216 -16.339 1.00 1.00 O ATOM 833 CB MET A 51 74.915 16.981 -13.158 1.00 1.00 C ATOM 834 CG MET A 51 74.412 16.612 -11.752 1.00 1.00 C ATOM 835 SD MET A 51 75.231 17.672 -10.526 1.00 1.00 S ATOM 836 CE MET A 51 76.947 17.246 -10.922 1.00 1.00 C ATOM 0 H MET A 51 73.117 14.990 -12.925 1.00 1.00 H new ATOM 0 HA MET A 51 73.634 17.245 -14.825 1.00 1.00 H new ATOM 0 HB2 MET A 51 75.934 16.616 -13.290 1.00 1.00 H new ATOM 0 HB3 MET A 51 74.949 18.066 -13.262 1.00 1.00 H new ATOM 0 HG2 MET A 51 73.331 16.738 -11.695 1.00 1.00 H new ATOM 0 HG3 MET A 51 74.622 15.563 -11.541 1.00 1.00 H new ATOM 0 HE1 MET A 51 77.589 17.500 -10.079 1.00 1.00 H new ATOM 0 HE2 MET A 51 77.019 16.177 -11.124 1.00 1.00 H new ATOM 0 HE3 MET A 51 77.266 17.804 -11.802 1.00 1.00 H new ATOM 846 N ASN A 52 75.741 14.694 -14.676 1.00 1.00 N ATOM 847 CA ASN A 52 76.449 13.662 -15.447 1.00 1.00 C ATOM 848 C ASN A 52 77.707 13.180 -14.696 1.00 1.00 C ATOM 849 O ASN A 52 78.647 12.690 -15.322 1.00 1.00 O ATOM 850 CB ASN A 52 76.842 14.159 -16.866 1.00 1.00 C ATOM 851 CG ASN A 52 77.398 15.580 -16.795 1.00 1.00 C ATOM 852 OD1 ASN A 52 76.643 16.537 -16.623 1.00 1.00 O ATOM 853 ND2 ASN A 52 78.684 15.775 -16.927 1.00 1.00 N ATOM 0 H ASN A 52 76.093 14.826 -13.728 1.00 1.00 H new ATOM 0 HA ASN A 52 75.758 12.827 -15.563 1.00 1.00 H new ATOM 0 HB2 ASN A 52 77.587 13.491 -17.299 1.00 1.00 H new ATOM 0 HB3 ASN A 52 75.971 14.134 -17.521 1.00 1.00 H new ATOM 0 HD21 ASN A 52 79.063 16.721 -16.888 1.00 1.00 H new ATOM 0 HD22 ASN A 52 79.308 14.981 -17.069 1.00 1.00 H new ATOM 860 N LYS A 53 77.740 13.335 -13.352 1.00 1.00 N ATOM 861 CA LYS A 53 78.915 12.926 -12.541 1.00 1.00 C ATOM 862 C LYS A 53 78.576 11.757 -11.603 1.00 1.00 C ATOM 863 O LYS A 53 77.895 10.815 -11.998 1.00 1.00 O ATOM 864 CB LYS A 53 79.437 14.125 -11.734 1.00 1.00 C ATOM 865 CG LYS A 53 79.786 15.281 -12.688 1.00 1.00 C ATOM 866 CD LYS A 53 80.554 16.388 -11.934 1.00 1.00 C ATOM 867 CE LYS A 53 80.897 17.515 -12.906 1.00 1.00 C ATOM 868 NZ LYS A 53 81.682 18.565 -12.195 1.00 1.00 N ATOM 0 H LYS A 53 76.975 13.736 -12.809 1.00 1.00 H new ATOM 0 HA LYS A 53 79.693 12.585 -13.224 1.00 1.00 H new ATOM 0 HB2 LYS A 53 78.683 14.448 -11.016 1.00 1.00 H new ATOM 0 HB3 LYS A 53 80.318 13.834 -11.162 1.00 1.00 H new ATOM 0 HG2 LYS A 53 80.391 14.909 -13.515 1.00 1.00 H new ATOM 0 HG3 LYS A 53 78.874 15.692 -13.120 1.00 1.00 H new ATOM 0 HD2 LYS A 53 79.949 16.772 -11.113 1.00 1.00 H new ATOM 0 HD3 LYS A 53 81.465 15.981 -11.495 1.00 1.00 H new ATOM 0 HE2 LYS A 53 81.471 17.123 -13.746 1.00 1.00 H new ATOM 0 HE3 LYS A 53 79.984 17.945 -13.317 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 81.915 19.332 -12.857 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 81.119 18.946 -11.408 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 82.560 18.150 -11.823 1.00 1.00 H new ATOM 882 N LEU A 54 79.114 11.794 -10.377 1.00 1.00 N ATOM 883 CA LEU A 54 78.938 10.713 -9.392 1.00 1.00 C ATOM 884 C LEU A 54 78.588 11.274 -8.011 1.00 1.00 C ATOM 885 O LEU A 54 79.468 11.815 -7.340 1.00 1.00 O ATOM 886 CB LEU A 54 80.302 10.000 -9.297 1.00 1.00 C ATOM 887 CG LEU A 54 80.365 9.009 -8.107 1.00 1.00 C ATOM 888 CD1 LEU A 54 79.117 8.114 -8.064 1.00 1.00 C ATOM 889 CD2 LEU A 54 81.609 8.120 -8.253 1.00 1.00 C ATOM 0 H LEU A 54 79.682 12.571 -10.038 1.00 1.00 H new ATOM 0 HA LEU A 54 78.130 10.049 -9.699 1.00 1.00 H new ATOM 0 HB2 LEU A 54 80.494 9.462 -10.225 1.00 1.00 H new ATOM 0 HB3 LEU A 54 81.092 10.744 -9.190 1.00 1.00 H new ATOM 0 HG LEU A 54 80.413 9.586 -7.184 1.00 1.00 H new ATOM 0 HD11 LEU A 54 79.189 7.429 -7.219 1.00 1.00 H new ATOM 0 HD12 LEU A 54 78.228 8.735 -7.953 1.00 1.00 H new ATOM 0 HD13 LEU A 54 79.047 7.542 -8.989 1.00 1.00 H new ATOM 0 HD21 LEU A 54 81.657 7.421 -7.418 1.00 1.00 H new ATOM 0 HD22 LEU A 54 81.551 7.564 -9.189 1.00 1.00 H new ATOM 0 HD23 LEU A 54 82.503 8.743 -8.257 1.00 1.00 H new ATOM 901 N TYR A 55 77.335 11.139 -7.545 1.00 1.00 N ATOM 902 CA TYR A 55 76.994 11.649 -6.194 1.00 1.00 C ATOM 903 C TYR A 55 77.461 10.573 -5.190 1.00 1.00 C ATOM 904 O TYR A 55 78.420 9.892 -5.517 1.00 1.00 O ATOM 905 CB TYR A 55 75.484 11.969 -6.099 1.00 1.00 C ATOM 906 CG TYR A 55 75.189 13.382 -6.598 1.00 1.00 C ATOM 907 CD1 TYR A 55 75.876 13.915 -7.699 1.00 1.00 C ATOM 908 CD2 TYR A 55 74.224 14.161 -5.944 1.00 1.00 C ATOM 909 CE1 TYR A 55 75.596 15.214 -8.137 1.00 1.00 C ATOM 910 CE2 TYR A 55 73.947 15.459 -6.380 1.00 1.00 C ATOM 911 CZ TYR A 55 74.634 15.986 -7.477 1.00 1.00 C ATOM 912 OH TYR A 55 74.360 17.264 -7.913 1.00 1.00 O ATOM 0 H TYR A 55 76.566 10.702 -8.053 1.00 1.00 H new ATOM 0 HA TYR A 55 77.496 12.590 -5.970 1.00 1.00 H new ATOM 0 HB2 TYR A 55 74.918 11.247 -6.687 1.00 1.00 H new ATOM 0 HB3 TYR A 55 75.152 11.868 -5.066 1.00 1.00 H new ATOM 0 HD1 TYR A 55 76.621 13.322 -8.209 1.00 1.00 H new ATOM 0 HD2 TYR A 55 73.691 13.755 -5.097 1.00 1.00 H new ATOM 0 HE1 TYR A 55 76.124 15.622 -8.987 1.00 1.00 H new ATOM 0 HE2 TYR A 55 73.204 16.054 -5.870 1.00 1.00 H new ATOM 0 HH TYR A 55 74.141 17.244 -8.868 1.00 1.00 H new ATOM 922 N ASP A 56 76.785 10.394 -4.023 1.00 1.00 N ATOM 923 CA ASP A 56 77.147 9.348 -3.018 1.00 1.00 C ATOM 924 C ASP A 56 76.755 9.784 -1.588 1.00 1.00 C ATOM 925 O ASP A 56 77.601 9.863 -0.706 1.00 1.00 O ATOM 926 CB ASP A 56 78.652 8.923 -3.069 1.00 1.00 C ATOM 927 CG ASP A 56 79.050 8.050 -1.871 1.00 1.00 C ATOM 928 OD1 ASP A 56 78.511 6.961 -1.753 1.00 1.00 O ATOM 929 OD2 ASP A 56 79.889 8.482 -1.098 1.00 1.00 O ATOM 0 H ASP A 56 75.982 10.962 -3.751 1.00 1.00 H new ATOM 0 HA ASP A 56 76.568 8.466 -3.292 1.00 1.00 H new ATOM 0 HB2 ASP A 56 78.842 8.377 -3.993 1.00 1.00 H new ATOM 0 HB3 ASP A 56 79.279 9.815 -3.091 1.00 1.00 H new ATOM 934 N LYS A 57 75.447 10.007 -1.389 1.00 1.00 N ATOM 935 CA LYS A 57 74.776 10.361 -0.116 1.00 1.00 C ATOM 936 C LYS A 57 73.899 11.560 -0.499 1.00 1.00 C ATOM 937 O LYS A 57 74.503 12.574 -0.850 1.00 1.00 O ATOM 938 CB LYS A 57 75.721 10.751 1.063 1.00 1.00 C ATOM 939 CG LYS A 57 76.255 9.496 1.794 1.00 1.00 C ATOM 940 CD LYS A 57 77.441 9.890 2.689 1.00 1.00 C ATOM 941 CE LYS A 57 77.834 8.711 3.576 1.00 1.00 C ATOM 942 NZ LYS A 57 78.815 9.165 4.603 1.00 1.00 N ATOM 0 H LYS A 57 74.781 9.942 -2.159 1.00 1.00 H new ATOM 0 HA LYS A 57 74.243 9.493 0.271 1.00 1.00 H new ATOM 0 HB2 LYS A 57 76.558 11.337 0.683 1.00 1.00 H new ATOM 0 HB3 LYS A 57 75.183 11.384 1.769 1.00 1.00 H new ATOM 0 HG2 LYS A 57 75.464 9.049 2.396 1.00 1.00 H new ATOM 0 HG3 LYS A 57 76.567 8.745 1.069 1.00 1.00 H new ATOM 0 HD2 LYS A 57 78.288 10.192 2.073 1.00 1.00 H new ATOM 0 HD3 LYS A 57 77.174 10.748 3.306 1.00 1.00 H new ATOM 0 HE2 LYS A 57 76.950 8.297 4.061 1.00 1.00 H new ATOM 0 HE3 LYS A 57 78.268 7.915 2.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 79.082 8.362 5.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 79.662 9.541 4.131 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 78.385 9.910 5.188 1.00 1.00 H new ATOM 956 N ILE A 58 72.543 11.537 -0.499 1.00 1.00 N ATOM 957 CA ILE A 58 71.767 12.755 -0.932 1.00 1.00 C ATOM 958 C ILE A 58 70.950 13.385 0.225 1.00 1.00 C ATOM 959 O ILE A 58 69.991 12.767 0.687 1.00 1.00 O ATOM 960 CB ILE A 58 70.798 12.399 -2.123 1.00 1.00 C ATOM 961 CG1 ILE A 58 71.587 12.409 -3.461 1.00 1.00 C ATOM 962 CG2 ILE A 58 69.647 13.453 -2.245 1.00 1.00 C ATOM 963 CD1 ILE A 58 72.833 11.522 -3.403 1.00 1.00 C ATOM 0 H ILE A 58 71.975 10.737 -0.221 1.00 1.00 H new ATOM 0 HA ILE A 58 72.502 13.491 -1.258 1.00 1.00 H new ATOM 0 HB ILE A 58 70.376 11.414 -1.923 1.00 1.00 H new ATOM 0 HG12 ILE A 58 70.937 12.068 -4.267 1.00 1.00 H new ATOM 0 HG13 ILE A 58 71.881 13.431 -3.700 1.00 1.00 H new ATOM 0 HG21 ILE A 58 68.993 13.183 -3.074 1.00 1.00 H new ATOM 0 HG22 ILE A 58 69.071 13.471 -1.320 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.074 14.439 -2.426 1.00 1.00 H new ATOM 0 HD11 ILE A 58 73.352 11.561 -4.361 1.00 1.00 H new ATOM 0 HD12 ILE A 58 73.497 11.879 -2.616 1.00 1.00 H new ATOM 0 HD13 ILE A 58 72.538 10.494 -3.191 1.00 1.00 H new ATOM 975 N PRO A 59 71.202 14.630 0.618 1.00 1.00 N ATOM 976 CA PRO A 59 70.331 15.310 1.620 1.00 1.00 C ATOM 977 C PRO A 59 68.863 15.279 1.133 1.00 1.00 C ATOM 978 O PRO A 59 68.615 15.166 -0.068 1.00 1.00 O ATOM 979 CB PRO A 59 70.877 16.761 1.658 1.00 1.00 C ATOM 980 CG PRO A 59 72.309 16.609 1.290 1.00 1.00 C ATOM 981 CD PRO A 59 72.322 15.519 0.212 1.00 1.00 C ATOM 0 HA PRO A 59 70.344 14.840 2.603 1.00 1.00 H new ATOM 0 HB2 PRO A 59 70.349 17.406 0.955 1.00 1.00 H new ATOM 0 HB3 PRO A 59 70.763 17.206 2.646 1.00 1.00 H new ATOM 0 HG2 PRO A 59 72.722 17.544 0.912 1.00 1.00 H new ATOM 0 HG3 PRO A 59 72.911 16.320 2.152 1.00 1.00 H new ATOM 0 HD2 PRO A 59 72.166 15.935 -0.783 1.00 1.00 H new ATOM 0 HD3 PRO A 59 73.272 14.986 0.190 1.00 1.00 H new ATOM 989 N PRO A 60 67.906 15.374 2.014 1.00 1.00 N ATOM 990 CA PRO A 60 66.448 15.351 1.638 1.00 1.00 C ATOM 991 C PRO A 60 66.043 16.594 0.818 1.00 1.00 C ATOM 992 O PRO A 60 64.959 16.650 0.239 1.00 1.00 O ATOM 993 CB PRO A 60 65.740 15.302 3.012 1.00 1.00 C ATOM 994 CG PRO A 60 66.702 15.979 3.939 1.00 1.00 C ATOM 995 CD PRO A 60 68.087 15.532 3.468 1.00 1.00 C ATOM 0 HA PRO A 60 66.185 14.513 0.993 1.00 1.00 H new ATOM 0 HB2 PRO A 60 64.781 15.819 2.985 1.00 1.00 H new ATOM 0 HB3 PRO A 60 65.541 14.276 3.322 1.00 1.00 H new ATOM 0 HG2 PRO A 60 66.600 17.063 3.891 1.00 1.00 H new ATOM 0 HG3 PRO A 60 66.524 15.688 4.974 1.00 1.00 H new ATOM 0 HD2 PRO A 60 68.852 16.273 3.702 1.00 1.00 H new ATOM 0 HD3 PRO A 60 68.393 14.599 3.941 1.00 1.00 H new ATOM 1003 N THR A 61 66.926 17.581 0.818 1.00 1.00 N ATOM 1004 CA THR A 61 66.717 18.859 0.125 1.00 1.00 C ATOM 1005 C THR A 61 66.640 18.737 -1.403 1.00 1.00 C ATOM 1006 O THR A 61 65.978 19.533 -2.070 1.00 1.00 O ATOM 1007 CB THR A 61 67.905 19.752 0.466 1.00 1.00 C ATOM 1008 OG1 THR A 61 68.014 19.861 1.877 1.00 1.00 O ATOM 1009 CG2 THR A 61 67.720 21.141 -0.146 1.00 1.00 C ATOM 0 H THR A 61 67.821 17.524 1.303 1.00 1.00 H new ATOM 0 HA THR A 61 65.758 19.259 0.455 1.00 1.00 H new ATOM 0 HB THR A 61 68.814 19.311 0.057 1.00 1.00 H new ATOM 0 HG1 THR A 61 68.777 20.433 2.103 1.00 1.00 H new ATOM 0 HG21 THR A 61 68.576 21.767 0.106 1.00 1.00 H new ATOM 0 HG22 THR A 61 67.641 21.054 -1.230 1.00 1.00 H new ATOM 0 HG23 THR A 61 66.811 21.594 0.249 1.00 1.00 H new ATOM 1017 N VAL A 62 67.404 17.801 -1.938 1.00 1.00 N ATOM 1018 CA VAL A 62 67.540 17.613 -3.386 1.00 1.00 C ATOM 1019 C VAL A 62 66.329 17.035 -4.147 1.00 1.00 C ATOM 1020 O VAL A 62 65.968 17.568 -5.197 1.00 1.00 O ATOM 1021 CB VAL A 62 68.713 16.654 -3.578 1.00 1.00 C ATOM 1022 CG1 VAL A 62 68.993 16.427 -5.076 1.00 1.00 C ATOM 1023 CG2 VAL A 62 69.962 17.237 -2.893 1.00 1.00 C ATOM 0 H VAL A 62 67.953 17.143 -1.385 1.00 1.00 H new ATOM 0 HA VAL A 62 67.665 18.611 -3.806 1.00 1.00 H new ATOM 0 HB VAL A 62 68.461 15.693 -3.129 1.00 1.00 H new ATOM 0 HG11 VAL A 62 69.832 15.741 -5.189 1.00 1.00 H new ATOM 0 HG12 VAL A 62 68.109 16.001 -5.551 1.00 1.00 H new ATOM 0 HG13 VAL A 62 69.236 17.379 -5.549 1.00 1.00 H new ATOM 0 HG21 VAL A 62 70.802 16.556 -3.027 1.00 1.00 H new ATOM 0 HG22 VAL A 62 70.203 18.203 -3.337 1.00 1.00 H new ATOM 0 HG23 VAL A 62 69.766 17.366 -1.829 1.00 1.00 H new ATOM 1033 N TRP A 63 65.759 15.908 -3.699 1.00 1.00 N ATOM 1034 CA TRP A 63 64.668 15.273 -4.475 1.00 1.00 C ATOM 1035 C TRP A 63 63.490 16.195 -4.722 1.00 1.00 C ATOM 1036 O TRP A 63 62.724 15.965 -5.662 1.00 1.00 O ATOM 1037 CB TRP A 63 64.196 13.921 -3.909 1.00 1.00 C ATOM 1038 CG TRP A 63 65.363 13.017 -3.614 1.00 1.00 C ATOM 1039 CD1 TRP A 63 65.575 12.413 -2.417 1.00 1.00 C ATOM 1040 CD2 TRP A 63 66.471 12.589 -4.484 1.00 1.00 C ATOM 1041 NE1 TRP A 63 66.727 11.658 -2.491 1.00 1.00 N ATOM 1042 CE2 TRP A 63 67.315 11.739 -3.730 1.00 1.00 C ATOM 1043 CE3 TRP A 63 66.844 12.852 -5.829 1.00 1.00 C ATOM 1044 CZ2 TRP A 63 68.462 11.175 -4.277 1.00 1.00 C ATOM 1045 CZ3 TRP A 63 68.003 12.295 -6.366 1.00 1.00 C ATOM 1046 CH2 TRP A 63 68.810 11.462 -5.596 1.00 1.00 C ATOM 0 H TRP A 63 66.017 15.427 -2.838 1.00 1.00 H new ATOM 0 HA TRP A 63 65.128 15.063 -5.440 1.00 1.00 H new ATOM 0 HB2 TRP A 63 63.621 14.086 -2.998 1.00 1.00 H new ATOM 0 HB3 TRP A 63 63.530 13.437 -4.623 1.00 1.00 H new ATOM 0 HD1 TRP A 63 64.943 12.508 -1.546 1.00 1.00 H new ATOM 0 HE1 TRP A 63 67.098 11.105 -1.718 1.00 1.00 H new ATOM 0 HE3 TRP A 63 66.224 13.490 -6.441 1.00 1.00 H new ATOM 0 HZ2 TRP A 63 69.080 10.518 -3.683 1.00 1.00 H new ATOM 0 HZ3 TRP A 63 68.277 12.511 -7.388 1.00 1.00 H new ATOM 0 HH2 TRP A 63 69.707 11.037 -6.021 1.00 1.00 H new ATOM 1057 N GLN A 64 63.419 17.312 -3.968 1.00 1.00 N ATOM 1058 CA GLN A 64 62.371 18.351 -4.238 1.00 1.00 C ATOM 1059 C GLN A 64 62.885 19.319 -5.315 1.00 1.00 C ATOM 1060 O GLN A 64 62.098 19.921 -6.046 1.00 1.00 O ATOM 1061 CB GLN A 64 61.859 19.062 -2.983 1.00 1.00 C ATOM 1062 CG GLN A 64 61.413 18.023 -1.953 1.00 1.00 C ATOM 1063 CD GLN A 64 61.044 18.710 -0.643 1.00 1.00 C ATOM 1064 OE1 GLN A 64 61.007 19.938 -0.573 1.00 1.00 O ATOM 1065 NE2 GLN A 64 60.762 17.986 0.407 1.00 1.00 N ATOM 0 H GLN A 64 64.045 17.525 -3.191 1.00 1.00 H new ATOM 0 HA GLN A 64 61.485 17.841 -4.617 1.00 1.00 H new ATOM 0 HB2 GLN A 64 62.644 19.692 -2.563 1.00 1.00 H new ATOM 0 HB3 GLN A 64 61.026 19.718 -3.238 1.00 1.00 H new ATOM 0 HG2 GLN A 64 60.557 17.466 -2.334 1.00 1.00 H new ATOM 0 HG3 GLN A 64 62.213 17.302 -1.782 1.00 1.00 H new ATOM 0 HE21 GLN A 64 60.793 16.968 0.348 1.00 1.00 H new ATOM 0 HE22 GLN A 64 60.511 18.438 1.286 1.00 1.00 H new ATOM 1074 N HIS A 65 64.220 19.468 -5.402 1.00 1.00 N ATOM 1075 CA HIS A 65 64.861 20.367 -6.383 1.00 1.00 C ATOM 1076 C HIS A 65 65.475 19.599 -7.549 1.00 1.00 C ATOM 1077 O HIS A 65 65.041 19.759 -8.688 1.00 1.00 O ATOM 1078 CB HIS A 65 65.958 21.174 -5.681 1.00 1.00 C ATOM 1079 CG HIS A 65 65.343 22.016 -4.598 1.00 1.00 C ATOM 1080 ND1 HIS A 65 65.643 21.831 -3.258 1.00 1.00 N ATOM 1081 CD2 HIS A 65 64.440 23.049 -4.641 1.00 1.00 C ATOM 1082 CE1 HIS A 65 64.931 22.731 -2.555 1.00 1.00 C ATOM 1083 NE2 HIS A 65 64.181 23.499 -3.350 1.00 1.00 N ATOM 0 H HIS A 65 64.880 18.974 -4.801 1.00 1.00 H new ATOM 0 HA HIS A 65 64.091 21.025 -6.785 1.00 1.00 H new ATOM 0 HB2 HIS A 65 66.703 20.502 -5.255 1.00 1.00 H new ATOM 0 HB3 HIS A 65 66.475 21.809 -6.401 1.00 1.00 H new ATOM 0 HD1 HIS A 65 66.286 21.139 -2.874 1.00 1.00 H new ATOM 0 HD2 HIS A 65 63.998 23.451 -5.540 1.00 1.00 H new ATOM 0 HE1 HIS A 65 64.962 22.821 -1.479 1.00 1.00 H new ATOM 1092 N VAL A 66 66.491 18.783 -7.269 1.00 1.00 N ATOM 1093 CA VAL A 66 67.159 18.020 -8.312 1.00 1.00 C ATOM 1094 C VAL A 66 67.792 18.977 -9.324 1.00 1.00 C ATOM 1095 O VAL A 66 67.624 18.833 -10.534 1.00 1.00 O ATOM 1096 CB VAL A 66 66.154 17.073 -8.996 1.00 1.00 C ATOM 1097 CG1 VAL A 66 66.891 16.007 -9.806 1.00 1.00 C ATOM 1098 CG2 VAL A 66 65.375 16.339 -7.924 1.00 1.00 C ATOM 0 H VAL A 66 66.865 18.637 -6.331 1.00 1.00 H new ATOM 0 HA VAL A 66 67.950 17.413 -7.872 1.00 1.00 H new ATOM 0 HB VAL A 66 65.507 17.665 -9.644 1.00 1.00 H new ATOM 0 HG11 VAL A 66 66.167 15.347 -10.282 1.00 1.00 H new ATOM 0 HG12 VAL A 66 67.501 16.488 -10.570 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.532 15.425 -9.144 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.659 15.664 -8.392 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.063 15.764 -7.303 1.00 1.00 H new ATOM 0 HG23 VAL A 66 64.842 17.060 -7.304 1.00 1.00 H new ATOM 1108 N LYS A 67 68.511 19.973 -8.800 1.00 1.00 N ATOM 1109 CA LYS A 67 69.167 20.984 -9.633 1.00 1.00 C ATOM 1110 C LYS A 67 70.378 21.571 -8.911 1.00 1.00 C ATOM 1111 O LYS A 67 71.447 21.732 -9.502 1.00 1.00 O ATOM 1112 CB LYS A 67 68.192 22.125 -9.954 1.00 1.00 C ATOM 1113 CG LYS A 67 67.030 21.611 -10.815 1.00 1.00 C ATOM 1114 CD LYS A 67 66.252 22.801 -11.395 1.00 1.00 C ATOM 1115 CE LYS A 67 64.945 22.313 -12.028 1.00 1.00 C ATOM 1116 NZ LYS A 67 64.042 21.794 -10.963 1.00 1.00 N ATOM 0 H LYS A 67 68.654 20.101 -7.798 1.00 1.00 H new ATOM 0 HA LYS A 67 69.488 20.499 -10.555 1.00 1.00 H new ATOM 0 HB2 LYS A 67 67.806 22.553 -9.029 1.00 1.00 H new ATOM 0 HB3 LYS A 67 68.717 22.923 -10.479 1.00 1.00 H new ATOM 0 HG2 LYS A 67 67.411 20.985 -11.622 1.00 1.00 H new ATOM 0 HG3 LYS A 67 66.367 20.988 -10.214 1.00 1.00 H new ATOM 0 HD2 LYS A 67 66.037 23.524 -10.608 1.00 1.00 H new ATOM 0 HD3 LYS A 67 66.858 23.314 -12.142 1.00 1.00 H new ATOM 0 HE2 LYS A 67 64.461 23.129 -12.564 1.00 1.00 H new ATOM 0 HE3 LYS A 67 65.152 21.530 -12.758 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 63.054 21.860 -11.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 64.276 20.800 -10.764 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 64.165 22.359 -10.098 1.00 1.00 H new ATOM 1130 N HIS A 68 70.199 21.903 -7.641 1.00 1.00 N ATOM 1131 CA HIS A 68 71.282 22.491 -6.854 1.00 1.00 C ATOM 1132 C HIS A 68 72.488 21.553 -6.773 1.00 1.00 C ATOM 1133 O HIS A 68 72.342 20.330 -6.757 1.00 1.00 O ATOM 1134 CB HIS A 68 70.791 22.805 -5.438 1.00 1.00 C ATOM 1135 CG HIS A 68 69.761 23.901 -5.485 1.00 1.00 C ATOM 1136 ND1 HIS A 68 68.404 23.638 -5.583 1.00 1.00 N ATOM 1137 CD2 HIS A 68 69.876 25.268 -5.434 1.00 1.00 C ATOM 1138 CE1 HIS A 68 67.761 24.821 -5.584 1.00 1.00 C ATOM 1139 NE2 HIS A 68 68.612 25.847 -5.495 1.00 1.00 N ATOM 0 H HIS A 68 69.323 21.778 -7.133 1.00 1.00 H new ATOM 0 HA HIS A 68 71.592 23.410 -7.352 1.00 1.00 H new ATOM 0 HB2 HIS A 68 70.363 21.911 -4.985 1.00 1.00 H new ATOM 0 HB3 HIS A 68 71.630 23.109 -4.812 1.00 1.00 H new ATOM 0 HD2 HIS A 68 70.806 25.812 -5.358 1.00 1.00 H new ATOM 0 HE1 HIS A 68 66.688 24.927 -5.649 1.00 1.00 H new ATOM 0 HE2 HIS A 68 68.384 26.841 -5.476 1.00 1.00 H new ATOM 1148 N HIS A 69 73.679 22.148 -6.708 1.00 1.00 N ATOM 1149 CA HIS A 69 74.920 21.386 -6.615 1.00 1.00 C ATOM 1150 C HIS A 69 76.093 22.346 -6.424 1.00 1.00 C ATOM 1151 O HIS A 69 75.903 23.561 -6.374 1.00 1.00 O ATOM 1152 CB HIS A 69 75.134 20.556 -7.885 1.00 1.00 C ATOM 1153 CG HIS A 69 75.211 21.478 -9.071 1.00 1.00 C ATOM 1154 ND1 HIS A 69 74.091 22.106 -9.594 1.00 1.00 N ATOM 1155 CD2 HIS A 69 76.270 21.901 -9.834 1.00 1.00 C ATOM 1156 CE1 HIS A 69 74.498 22.868 -10.626 1.00 1.00 C ATOM 1157 NE2 HIS A 69 75.818 22.780 -10.815 1.00 1.00 N ATOM 0 H HIS A 69 73.809 23.160 -6.718 1.00 1.00 H new ATOM 0 HA HIS A 69 74.857 20.710 -5.762 1.00 1.00 H new ATOM 0 HB2 HIS A 69 76.051 19.973 -7.802 1.00 1.00 H new ATOM 0 HB3 HIS A 69 74.316 19.847 -8.013 1.00 1.00 H new ATOM 0 HD1 HIS A 69 73.133 22.008 -9.258 1.00 1.00 H new ATOM 0 HD2 HIS A 69 77.297 21.598 -9.695 1.00 1.00 H new ATOM 0 HE1 HIS A 69 73.839 23.476 -11.228 1.00 1.00 H new ATOM 1166 N HIS A 70 77.306 21.803 -6.316 1.00 1.00 N ATOM 1167 CA HIS A 70 78.499 22.634 -6.127 1.00 1.00 C ATOM 1168 C HIS A 70 79.751 21.887 -6.571 1.00 1.00 C ATOM 1169 O HIS A 70 79.926 20.708 -6.264 1.00 1.00 O ATOM 1170 CB HIS A 70 78.640 23.021 -4.652 1.00 1.00 C ATOM 1171 CG HIS A 70 77.481 23.887 -4.242 1.00 1.00 C ATOM 1172 ND1 HIS A 70 77.525 25.271 -4.321 1.00 1.00 N ATOM 1173 CD2 HIS A 70 76.241 23.580 -3.739 1.00 1.00 C ATOM 1174 CE1 HIS A 70 76.345 25.740 -3.875 1.00 1.00 C ATOM 1175 NE2 HIS A 70 75.526 24.751 -3.508 1.00 1.00 N ATOM 0 H HIS A 70 77.490 20.800 -6.355 1.00 1.00 H new ATOM 0 HA HIS A 70 78.387 23.533 -6.734 1.00 1.00 H new ATOM 0 HB2 HIS A 70 78.674 22.125 -4.033 1.00 1.00 H new ATOM 0 HB3 HIS A 70 79.578 23.553 -4.494 1.00 1.00 H new ATOM 0 HD2 HIS A 70 75.876 22.581 -3.551 1.00 1.00 H new ATOM 0 HE1 HIS A 70 76.091 26.788 -3.821 1.00 1.00 H new ATOM 0 HE2 HIS A 70 74.579 24.836 -3.138 1.00 1.00 H new ATOM 1184 N HIS A 71 80.622 22.585 -7.293 1.00 1.00 N ATOM 1185 CA HIS A 71 81.861 21.983 -7.772 1.00 1.00 C ATOM 1186 C HIS A 71 82.806 21.718 -6.605 1.00 1.00 C ATOM 1187 O HIS A 71 82.694 22.343 -5.551 1.00 1.00 O ATOM 1188 CB HIS A 71 82.538 22.918 -8.776 1.00 1.00 C ATOM 1189 CG HIS A 71 81.649 23.103 -9.975 1.00 1.00 C ATOM 1190 ND1 HIS A 71 80.727 24.135 -10.060 1.00 1.00 N ATOM 1191 CD2 HIS A 71 81.533 22.400 -11.149 1.00 1.00 C ATOM 1192 CE1 HIS A 71 80.104 24.026 -11.248 1.00 1.00 C ATOM 1193 NE2 HIS A 71 80.558 22.985 -11.951 1.00 1.00 N ATOM 0 H HIS A 71 80.494 23.562 -7.558 1.00 1.00 H new ATOM 0 HA HIS A 71 81.624 21.037 -8.259 1.00 1.00 H new ATOM 0 HB2 HIS A 71 82.742 23.882 -8.310 1.00 1.00 H new ATOM 0 HB3 HIS A 71 83.498 22.504 -9.083 1.00 1.00 H new ATOM 0 HD2 HIS A 71 82.111 21.526 -11.410 1.00 1.00 H new ATOM 0 HE1 HIS A 71 79.331 24.698 -11.591 1.00 1.00 H new ATOM 0 HE2 HIS A 71 80.255 22.684 -12.877 1.00 1.00 H new ATOM 1202 N HIS A 72 83.738 20.790 -6.797 1.00 1.00 N ATOM 1203 CA HIS A 72 84.694 20.457 -5.747 1.00 1.00 C ATOM 1204 C HIS A 72 85.780 19.532 -6.284 1.00 1.00 C ATOM 1205 O HIS A 72 85.541 18.743 -7.198 1.00 1.00 O ATOM 1206 CB HIS A 72 83.974 19.781 -4.580 1.00 1.00 C ATOM 1207 CG HIS A 72 83.273 18.544 -5.070 1.00 1.00 C ATOM 1208 ND1 HIS A 72 82.190 18.601 -5.934 1.00 1.00 N ATOM 1209 CD2 HIS A 72 83.488 17.210 -4.826 1.00 1.00 C ATOM 1210 CE1 HIS A 72 81.797 17.337 -6.175 1.00 1.00 C ATOM 1211 NE2 HIS A 72 82.555 16.450 -5.524 1.00 1.00 N ATOM 0 H HIS A 72 83.851 20.260 -7.661 1.00 1.00 H new ATOM 0 HA HIS A 72 85.159 21.380 -5.400 1.00 1.00 H new ATOM 0 HB2 HIS A 72 84.689 19.521 -3.799 1.00 1.00 H new ATOM 0 HB3 HIS A 72 83.254 20.468 -4.136 1.00 1.00 H new ATOM 0 HD2 HIS A 72 84.264 16.811 -4.189 1.00 1.00 H new ATOM 0 HE1 HIS A 72 80.970 17.072 -6.816 1.00 1.00 H new ATOM 0 HE2 HIS A 72 82.468 15.434 -5.536 1.00 1.00 H new ATOM 1220 N HIS A 73 86.972 19.635 -5.709 1.00 1.00 N ATOM 1221 CA HIS A 73 88.090 18.803 -6.136 1.00 1.00 C ATOM 1222 C HIS A 73 87.707 17.327 -6.092 1.00 1.00 C ATOM 1223 O HIS A 73 87.391 16.786 -7.138 1.00 1.00 O ATOM 1224 CB HIS A 73 89.295 19.048 -5.228 1.00 1.00 C ATOM 1225 CG HIS A 73 90.470 18.255 -5.728 1.00 1.00 C ATOM 1226 ND1 HIS A 73 91.125 18.568 -6.909 1.00 1.00 N ATOM 1227 CD2 HIS A 73 91.119 17.157 -5.219 1.00 1.00 C ATOM 1228 CE1 HIS A 73 92.119 17.676 -7.070 1.00 1.00 C ATOM 1229 NE2 HIS A 73 92.159 16.793 -6.068 1.00 1.00 N ATOM 1230 OXT HIS A 73 87.737 16.760 -5.012 1.00 1.00 O ATOM 0 H HIS A 73 87.189 20.282 -4.951 1.00 1.00 H new ATOM 0 HA HIS A 73 88.347 19.068 -7.162 1.00 1.00 H new ATOM 0 HB2 HIS A 73 89.540 20.110 -5.211 1.00 1.00 H new ATOM 0 HB3 HIS A 73 89.057 18.759 -4.204 1.00 1.00 H new ATOM 0 HD2 HIS A 73 90.861 16.653 -4.299 1.00 1.00 H new ATOM 0 HE1 HIS A 73 92.801 17.674 -7.907 1.00 1.00 H new ATOM 0 HE2 HIS A 73 92.812 16.018 -5.951 1.00 1.00 H new TER 1239 HIS A 73