USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 1043 hydrogens (1 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= -0.22 (180deg=-0.574) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 157:sc= -0.261 (180deg=-0.876) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -162:sc= 0.426 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -134:sc= -0.175 (180deg=-0.478) USER MOD Single : B 2 LYS NZ :NH3+ -147:sc= -1.61 (180deg=-3.93!) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl 158:sc= -0.315 (180deg=-0.877) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -162:sc= 0.244 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.479 20.030 0.176 1.00 63.32 N ATOM 2 CA MET A 1 -17.218 21.420 -0.178 1.00 54.33 C ATOM 3 C MET A 1 -15.741 21.635 -0.486 1.00 43.30 C ATOM 4 O MET A 1 -15.121 22.574 0.016 1.00 73.34 O ATOM 5 CB MET A 1 -17.655 22.348 0.958 1.00 43.13 C ATOM 6 CG MET A 1 -19.086 22.117 1.415 1.00 3.00 C ATOM 7 SD MET A 1 -19.181 21.411 3.071 1.00 25.34 S ATOM 8 CE MET A 1 -20.806 20.660 3.027 1.00 72.23 C ATOM 0 H1 MET A 1 -18.340 19.704 -0.308 1.00 63.32 H new ATOM 0 H2 MET A 1 -16.674 19.440 -0.116 1.00 63.32 H new ATOM 0 H3 MET A 1 -17.610 19.952 1.205 1.00 63.32 H new ATOM 0 HA MET A 1 -17.795 21.655 -1.073 1.00 54.33 H new ATOM 0 HB2 MET A 1 -16.985 22.211 1.806 1.00 43.13 H new ATOM 0 HB3 MET A 1 -17.549 23.383 0.632 1.00 43.13 H new ATOM 0 HG2 MET A 1 -19.626 23.063 1.396 1.00 3.00 H new ATOM 0 HG3 MET A 1 -19.585 21.451 0.711 1.00 3.00 H new ATOM 0 HE1 MET A 1 -21.011 20.181 3.984 1.00 72.23 H new ATOM 0 HE2 MET A 1 -21.556 21.427 2.837 1.00 72.23 H new ATOM 0 HE3 MET A 1 -20.841 19.914 2.233 1.00 72.23 H new ATOM 18 N LYS A 2 -15.179 20.760 -1.313 1.00 72.44 N ATOM 19 CA LYS A 2 -13.774 20.854 -1.691 1.00 14.44 C ATOM 20 C LYS A 2 -13.426 19.819 -2.756 1.00 10.52 C ATOM 21 O LYS A 2 -14.119 18.814 -2.910 1.00 75.02 O ATOM 22 CB LYS A 2 -12.882 20.659 -0.463 1.00 24.54 C ATOM 23 CG LYS A 2 -11.449 21.117 -0.672 1.00 22.33 C ATOM 24 CD LYS A 2 -11.367 22.624 -0.847 1.00 20.22 C ATOM 25 CE LYS A 2 -10.444 23.002 -1.996 1.00 10.40 C ATOM 26 NZ LYS A 2 -10.638 24.416 -2.421 1.00 31.12 N ATOM 0 H LYS A 2 -15.676 19.976 -1.735 1.00 72.44 H new ATOM 0 HA LYS A 2 -13.600 21.847 -2.106 1.00 14.44 H new ATOM 0 HB2 LYS A 2 -13.310 21.206 0.377 1.00 24.54 H new ATOM 0 HB3 LYS A 2 -12.881 19.604 -0.189 1.00 24.54 H new ATOM 0 HG2 LYS A 2 -10.841 20.815 0.181 1.00 22.33 H new ATOM 0 HG3 LYS A 2 -11.033 20.624 -1.551 1.00 22.33 H new ATOM 0 HD2 LYS A 2 -12.364 23.025 -1.032 1.00 20.22 H new ATOM 0 HD3 LYS A 2 -11.007 23.080 0.075 1.00 20.22 H new ATOM 0 HE2 LYS A 2 -9.408 22.853 -1.693 1.00 10.40 H new ATOM 0 HE3 LYS A 2 -10.628 22.340 -2.842 1.00 10.40 H new ATOM 0 HZ1 LYS A 2 -9.991 24.635 -3.206 1.00 31.12 H new ATOM 0 HZ2 LYS A 2 -11.620 24.553 -2.734 1.00 31.12 H new ATOM 0 HZ3 LYS A 2 -10.438 25.050 -1.621 1.00 31.12 H new ATOM 40 N LYS A 3 -12.346 20.071 -3.487 1.00 40.15 N ATOM 41 CA LYS A 3 -11.903 19.161 -4.536 1.00 60.21 C ATOM 42 C LYS A 3 -10.382 19.045 -4.551 1.00 4.43 C ATOM 43 O LYS A 3 -9.833 17.957 -4.726 1.00 60.22 O ATOM 44 CB LYS A 3 -12.401 19.641 -5.902 1.00 14.44 C ATOM 45 CG LYS A 3 -13.605 18.871 -6.415 1.00 74.04 C ATOM 46 CD LYS A 3 -13.618 18.804 -7.933 1.00 43.53 C ATOM 47 CE LYS A 3 -14.960 18.318 -8.457 1.00 71.54 C ATOM 48 NZ LYS A 3 -15.974 19.409 -8.486 1.00 63.13 N ATOM 0 H LYS A 3 -11.761 20.899 -3.372 1.00 40.15 H new ATOM 0 HA LYS A 3 -12.323 18.177 -4.328 1.00 60.21 H new ATOM 0 HB2 LYS A 3 -12.658 20.698 -5.835 1.00 14.44 H new ATOM 0 HB3 LYS A 3 -11.590 19.555 -6.626 1.00 14.44 H new ATOM 0 HG2 LYS A 3 -13.594 17.861 -6.005 1.00 74.04 H new ATOM 0 HG3 LYS A 3 -14.520 19.348 -6.063 1.00 74.04 H new ATOM 0 HD2 LYS A 3 -13.401 19.790 -8.344 1.00 43.53 H new ATOM 0 HD3 LYS A 3 -12.828 18.135 -8.276 1.00 43.53 H new ATOM 0 HE2 LYS A 3 -14.833 17.914 -9.461 1.00 71.54 H new ATOM 0 HE3 LYS A 3 -15.321 17.503 -7.829 1.00 71.54 H new ATOM 0 HZ1 LYS A 3 -16.874 19.036 -8.849 1.00 63.13 H new ATOM 0 HZ2 LYS A 3 -16.115 19.778 -7.524 1.00 63.13 H new ATOM 0 HZ3 LYS A 3 -15.642 20.176 -9.105 1.00 63.13 H new ATOM 62 N LEU A 4 -9.706 20.173 -4.363 1.00 73.23 N ATOM 63 CA LEU A 4 -8.247 20.199 -4.353 1.00 34.01 C ATOM 64 C LEU A 4 -7.697 19.403 -3.173 1.00 34.25 C ATOM 65 O LEU A 4 -6.789 18.588 -3.331 1.00 42.15 O ATOM 66 CB LEU A 4 -7.743 21.642 -4.288 1.00 73.52 C ATOM 67 CG LEU A 4 -7.631 22.374 -5.626 1.00 75.13 C ATOM 68 CD1 LEU A 4 -6.679 21.642 -6.558 1.00 0.43 C ATOM 69 CD2 LEU A 4 -9.003 22.520 -6.270 1.00 44.21 C ATOM 0 H LEU A 4 -10.145 21.082 -4.215 1.00 73.23 H new ATOM 0 HA LEU A 4 -7.894 19.739 -5.276 1.00 34.01 H new ATOM 0 HB2 LEU A 4 -8.411 22.210 -3.640 1.00 73.52 H new ATOM 0 HB3 LEU A 4 -6.762 21.642 -3.813 1.00 73.52 H new ATOM 0 HG LEU A 4 -7.230 23.370 -5.440 1.00 75.13 H new ATOM 0 HD11 LEU A 4 -6.613 22.178 -7.505 1.00 0.43 H new ATOM 0 HD12 LEU A 4 -5.691 21.589 -6.101 1.00 0.43 H new ATOM 0 HD13 LEU A 4 -7.050 20.633 -6.738 1.00 0.43 H new ATOM 0 HD21 LEU A 4 -8.905 23.043 -7.221 1.00 44.21 H new ATOM 0 HD22 LEU A 4 -9.431 21.532 -6.442 1.00 44.21 H new ATOM 0 HD23 LEU A 4 -9.657 23.089 -5.609 1.00 44.21 H new ATOM 81 N ARG A 5 -8.256 19.643 -1.992 1.00 12.32 N ATOM 82 CA ARG A 5 -7.823 18.949 -0.786 1.00 22.54 C ATOM 83 C ARG A 5 -8.280 17.493 -0.803 1.00 73.33 C ATOM 84 O ARG A 5 -7.537 16.594 -0.411 1.00 4.20 O ATOM 85 CB ARG A 5 -8.370 19.651 0.458 1.00 12.30 C ATOM 86 CG ARG A 5 -8.139 21.153 0.460 1.00 74.44 C ATOM 87 CD ARG A 5 -8.832 21.822 1.636 1.00 51.21 C ATOM 88 NE ARG A 5 -7.876 22.357 2.602 1.00 13.35 N ATOM 89 CZ ARG A 5 -8.181 23.292 3.497 1.00 25.33 C ATOM 90 NH1 ARG A 5 -9.407 23.790 3.548 1.00 12.34 N ATOM 91 NH2 ARG A 5 -7.256 23.728 4.343 1.00 31.53 N ATOM 0 H ARG A 5 -9.010 20.313 -1.845 1.00 12.32 H new ATOM 0 HA ARG A 5 -6.734 18.971 -0.757 1.00 22.54 H new ATOM 0 HB2 ARG A 5 -9.440 19.456 0.534 1.00 12.30 H new ATOM 0 HB3 ARG A 5 -7.904 19.219 1.343 1.00 12.30 H new ATOM 0 HG2 ARG A 5 -7.069 21.358 0.503 1.00 74.44 H new ATOM 0 HG3 ARG A 5 -8.508 21.580 -0.472 1.00 74.44 H new ATOM 0 HD2 ARG A 5 -9.468 22.628 1.271 1.00 51.21 H new ATOM 0 HD3 ARG A 5 -9.483 21.101 2.131 1.00 51.21 H new ATOM 0 HE ARG A 5 -6.923 21.994 2.589 1.00 13.35 H new ATOM 0 HH11 ARG A 5 -10.120 23.456 2.900 1.00 12.34 H new ATOM 0 HH12 ARG A 5 -9.638 24.507 4.236 1.00 12.34 H new ATOM 0 HH21 ARG A 5 -6.311 23.346 4.307 1.00 31.53 H new ATOM 0 HH22 ARG A 5 -7.490 24.445 5.029 1.00 31.53 H new ATOM 105 N GLU A 6 -9.509 17.269 -1.260 1.00 42.10 N ATOM 106 CA GLU A 6 -10.065 15.923 -1.326 1.00 61.22 C ATOM 107 C GLU A 6 -9.144 14.991 -2.110 1.00 42.54 C ATOM 108 O GLU A 6 -9.104 13.788 -1.861 1.00 15.15 O ATOM 109 CB GLU A 6 -11.451 15.951 -1.973 1.00 61.32 C ATOM 110 CG GLU A 6 -12.331 14.776 -1.579 1.00 64.33 C ATOM 111 CD GLU A 6 -13.806 15.127 -1.578 1.00 1.32 C ATOM 112 OE1 GLU A 6 -14.523 14.676 -2.496 1.00 63.00 O ATOM 113 OE2 GLU A 6 -14.242 15.851 -0.660 1.00 34.22 O ATOM 0 H GLU A 6 -10.137 18.002 -1.589 1.00 42.10 H new ATOM 0 HA GLU A 6 -10.155 15.545 -0.308 1.00 61.22 H new ATOM 0 HB2 GLU A 6 -11.953 16.878 -1.697 1.00 61.32 H new ATOM 0 HB3 GLU A 6 -11.337 15.961 -3.057 1.00 61.32 H new ATOM 0 HG2 GLU A 6 -12.158 13.950 -2.269 1.00 64.33 H new ATOM 0 HG3 GLU A 6 -12.043 14.428 -0.587 1.00 64.33 H new ATOM 121 N GLU A 7 -8.407 15.560 -3.059 1.00 62.02 N ATOM 122 CA GLU A 7 -7.488 14.781 -3.881 1.00 13.44 C ATOM 123 C GLU A 7 -6.526 13.978 -3.009 1.00 70.03 C ATOM 124 O GLU A 7 -6.298 12.793 -3.247 1.00 62.31 O ATOM 125 CB GLU A 7 -6.700 15.700 -4.816 1.00 11.01 C ATOM 126 CG GLU A 7 -7.571 16.441 -5.817 1.00 50.31 C ATOM 127 CD GLU A 7 -7.254 16.070 -7.252 1.00 55.00 C ATOM 128 OE1 GLU A 7 -6.250 16.582 -7.789 1.00 63.33 O ATOM 129 OE2 GLU A 7 -8.012 15.269 -7.839 1.00 2.13 O ATOM 0 H GLU A 7 -8.428 16.556 -3.277 1.00 62.02 H new ATOM 0 HA GLU A 7 -8.077 14.085 -4.479 1.00 13.44 H new ATOM 0 HB2 GLU A 7 -6.149 16.426 -4.219 1.00 11.01 H new ATOM 0 HB3 GLU A 7 -5.962 15.108 -5.357 1.00 11.01 H new ATOM 0 HG2 GLU A 7 -8.619 16.223 -5.612 1.00 50.31 H new ATOM 0 HG3 GLU A 7 -7.437 17.515 -5.685 1.00 50.31 H new ATOM 137 N ALA A 8 -5.965 14.634 -1.999 1.00 54.53 N ATOM 138 CA ALA A 8 -5.029 13.982 -1.091 1.00 53.43 C ATOM 139 C ALA A 8 -5.675 12.785 -0.403 1.00 75.43 C ATOM 140 O ALA A 8 -4.995 11.829 -0.031 1.00 74.22 O ATOM 141 CB ALA A 8 -4.520 14.975 -0.056 1.00 64.12 C ATOM 0 H ALA A 8 -6.142 15.616 -1.789 1.00 54.53 H new ATOM 0 HA ALA A 8 -4.185 13.619 -1.678 1.00 53.43 H new ATOM 0 HB1 ALA A 8 -3.822 14.475 0.616 1.00 64.12 H new ATOM 0 HB2 ALA A 8 -4.013 15.798 -0.560 1.00 64.12 H new ATOM 0 HB3 ALA A 8 -5.360 15.365 0.519 1.00 64.12 H new ATOM 147 N ALA A 9 -6.993 12.844 -0.237 1.00 25.25 N ATOM 148 CA ALA A 9 -7.730 11.763 0.405 1.00 34.53 C ATOM 149 C ALA A 9 -7.859 10.559 -0.522 1.00 23.12 C ATOM 150 O ALA A 9 -7.692 9.415 -0.098 1.00 42.20 O ATOM 151 CB ALA A 9 -9.106 12.247 0.838 1.00 70.43 C ATOM 0 H ALA A 9 -7.571 13.628 -0.538 1.00 25.25 H new ATOM 0 HA ALA A 9 -7.172 11.451 1.288 1.00 34.53 H new ATOM 0 HB1 ALA A 9 -9.646 11.429 1.316 1.00 70.43 H new ATOM 0 HB2 ALA A 9 -8.997 13.071 1.543 1.00 70.43 H new ATOM 0 HB3 ALA A 9 -9.663 12.588 -0.035 1.00 70.43 H new ATOM 157 N LYS A 10 -8.156 10.824 -1.789 1.00 64.33 N ATOM 158 CA LYS A 10 -8.306 9.762 -2.779 1.00 3.11 C ATOM 159 C LYS A 10 -7.031 8.931 -2.883 1.00 10.52 C ATOM 160 O LYS A 10 -7.082 7.727 -3.137 1.00 14.22 O ATOM 161 CB LYS A 10 -8.652 10.356 -4.146 1.00 12.55 C ATOM 162 CG LYS A 10 -9.782 11.371 -4.099 1.00 33.21 C ATOM 163 CD LYS A 10 -10.719 11.218 -5.286 1.00 25.14 C ATOM 164 CE LYS A 10 -11.601 9.987 -5.144 1.00 31.15 C ATOM 165 NZ LYS A 10 -12.785 10.046 -6.045 1.00 42.54 N ATOM 0 H LYS A 10 -8.298 11.765 -2.156 1.00 64.33 H new ATOM 0 HA LYS A 10 -9.118 9.111 -2.456 1.00 3.11 H new ATOM 0 HB2 LYS A 10 -7.764 10.832 -4.561 1.00 12.55 H new ATOM 0 HB3 LYS A 10 -8.928 9.549 -4.825 1.00 12.55 H new ATOM 0 HG2 LYS A 10 -10.344 11.249 -3.173 1.00 33.21 H new ATOM 0 HG3 LYS A 10 -9.367 12.379 -4.090 1.00 33.21 H new ATOM 0 HD2 LYS A 10 -11.344 12.107 -5.375 1.00 25.14 H new ATOM 0 HD3 LYS A 10 -10.136 11.145 -6.204 1.00 25.14 H new ATOM 0 HE2 LYS A 10 -11.017 9.094 -5.369 1.00 31.15 H new ATOM 0 HE3 LYS A 10 -11.935 9.897 -4.110 1.00 31.15 H new ATOM 0 HZ1 LYS A 10 -13.361 9.189 -5.918 1.00 42.54 H new ATOM 0 HZ2 LYS A 10 -13.356 10.884 -5.814 1.00 42.54 H new ATOM 0 HZ3 LYS A 10 -12.467 10.106 -7.033 1.00 42.54 H new ATOM 179 N LEU A 11 -5.889 9.580 -2.682 1.00 60.34 N ATOM 180 CA LEU A 11 -4.601 8.900 -2.752 1.00 65.40 C ATOM 181 C LEU A 11 -4.590 7.661 -1.862 1.00 63.32 C ATOM 182 O LEU A 11 -4.104 6.601 -2.261 1.00 54.32 O ATOM 183 CB LEU A 11 -3.477 9.850 -2.335 1.00 1.30 C ATOM 184 CG LEU A 11 -3.374 11.155 -3.125 1.00 44.13 C ATOM 185 CD1 LEU A 11 -2.195 11.983 -2.637 1.00 71.31 C ATOM 186 CD2 LEU A 11 -3.246 10.868 -4.614 1.00 45.15 C ATOM 0 H LEU A 11 -5.829 10.576 -2.469 1.00 60.34 H new ATOM 0 HA LEU A 11 -4.440 8.586 -3.783 1.00 65.40 H new ATOM 0 HB2 LEU A 11 -3.608 10.096 -1.281 1.00 1.30 H new ATOM 0 HB3 LEU A 11 -2.529 9.320 -2.423 1.00 1.30 H new ATOM 0 HG LEU A 11 -4.287 11.729 -2.963 1.00 44.13 H new ATOM 0 HD11 LEU A 11 -2.138 12.908 -3.211 1.00 71.31 H new ATOM 0 HD12 LEU A 11 -2.328 12.219 -1.581 1.00 71.31 H new ATOM 0 HD13 LEU A 11 -1.273 11.416 -2.769 1.00 71.31 H new ATOM 0 HD21 LEU A 11 -3.174 11.808 -5.161 1.00 45.15 H new ATOM 0 HD22 LEU A 11 -2.350 10.274 -4.794 1.00 45.15 H new ATOM 0 HD23 LEU A 11 -4.122 10.316 -4.955 1.00 45.15 H new ATOM 198 N PHE A 12 -5.131 7.800 -0.657 1.00 23.10 N ATOM 199 CA PHE A 12 -5.185 6.691 0.289 1.00 71.05 C ATOM 200 C PHE A 12 -6.249 5.676 -0.122 1.00 42.44 C ATOM 201 O PHE A 12 -6.154 4.495 0.210 1.00 54.22 O ATOM 202 CB PHE A 12 -5.477 7.209 1.699 1.00 71.13 C ATOM 203 CG PHE A 12 -4.386 8.077 2.256 1.00 4.24 C ATOM 204 CD1 PHE A 12 -3.057 7.700 2.143 1.00 41.02 C ATOM 205 CD2 PHE A 12 -4.688 9.269 2.895 1.00 64.22 C ATOM 206 CE1 PHE A 12 -2.050 8.496 2.654 1.00 13.43 C ATOM 207 CE2 PHE A 12 -3.685 10.069 3.409 1.00 62.22 C ATOM 208 CZ PHE A 12 -2.365 9.682 3.289 1.00 4.24 C ATOM 0 H PHE A 12 -5.538 8.669 -0.312 1.00 23.10 H new ATOM 0 HA PHE A 12 -4.214 6.196 0.285 1.00 71.05 H new ATOM 0 HB2 PHE A 12 -6.409 7.775 1.684 1.00 71.13 H new ATOM 0 HB3 PHE A 12 -5.631 6.360 2.365 1.00 71.13 H new ATOM 0 HD1 PHE A 12 -2.806 6.773 1.650 1.00 41.02 H new ATOM 0 HD2 PHE A 12 -5.719 9.576 2.992 1.00 64.22 H new ATOM 0 HE1 PHE A 12 -1.018 8.192 2.557 1.00 13.43 H new ATOM 0 HE2 PHE A 12 -3.933 10.996 3.904 1.00 62.22 H new ATOM 0 HZ PHE A 12 -1.580 10.305 3.691 1.00 4.24 H new ATOM 218 N GLU A 13 -7.259 6.148 -0.847 1.00 2.34 N ATOM 219 CA GLU A 13 -8.340 5.282 -1.302 1.00 10.10 C ATOM 220 C GLU A 13 -7.802 4.153 -2.177 1.00 2.51 C ATOM 221 O GLU A 13 -8.309 3.034 -2.143 1.00 22.43 O ATOM 222 CB GLU A 13 -9.380 6.093 -2.078 1.00 20.34 C ATOM 223 CG GLU A 13 -10.811 5.812 -1.654 1.00 15.10 C ATOM 224 CD GLU A 13 -11.822 6.202 -2.715 1.00 43.15 C ATOM 225 OE1 GLU A 13 -12.258 5.311 -3.474 1.00 50.01 O ATOM 226 OE2 GLU A 13 -12.177 7.397 -2.787 1.00 44.32 O ATOM 0 H GLU A 13 -7.351 7.123 -1.131 1.00 2.34 H new ATOM 0 HA GLU A 13 -8.813 4.843 -0.424 1.00 10.10 H new ATOM 0 HB2 GLU A 13 -9.173 7.155 -1.946 1.00 20.34 H new ATOM 0 HB3 GLU A 13 -9.276 5.878 -3.142 1.00 20.34 H new ATOM 0 HG2 GLU A 13 -10.917 4.751 -1.429 1.00 15.10 H new ATOM 0 HG3 GLU A 13 -11.027 6.356 -0.735 1.00 15.10 H new ATOM 234 N GLU A 14 -6.772 4.460 -2.960 1.00 11.21 N ATOM 235 CA GLU A 14 -6.167 3.472 -3.845 1.00 23.04 C ATOM 236 C GLU A 14 -5.313 2.484 -3.055 1.00 3.12 C ATOM 237 O GLU A 14 -5.173 1.323 -3.438 1.00 74.04 O ATOM 238 CB GLU A 14 -5.312 4.164 -4.909 1.00 5.12 C ATOM 239 CG GLU A 14 -6.040 5.275 -5.646 1.00 70.21 C ATOM 240 CD GLU A 14 -5.745 5.279 -7.134 1.00 32.15 C ATOM 241 OE1 GLU A 14 -6.703 5.399 -7.927 1.00 65.50 O ATOM 242 OE2 GLU A 14 -4.559 5.161 -7.505 1.00 1.53 O ATOM 0 H GLU A 14 -6.340 5.383 -2.999 1.00 11.21 H new ATOM 0 HA GLU A 14 -6.970 2.921 -4.335 1.00 23.04 H new ATOM 0 HB2 GLU A 14 -4.421 4.577 -4.435 1.00 5.12 H new ATOM 0 HB3 GLU A 14 -4.974 3.421 -5.631 1.00 5.12 H new ATOM 0 HG2 GLU A 14 -7.114 5.165 -5.493 1.00 70.21 H new ATOM 0 HG3 GLU A 14 -5.754 6.237 -5.220 1.00 70.21 H new ATOM 250 N TRP A 15 -4.745 2.954 -1.950 1.00 42.34 N ATOM 251 CA TRP A 15 -3.903 2.113 -1.106 1.00 73.32 C ATOM 252 C TRP A 15 -4.698 0.940 -0.542 1.00 52.23 C ATOM 253 O TRP A 15 -4.279 -0.212 -0.641 1.00 61.43 O ATOM 254 CB TRP A 15 -3.307 2.938 0.036 1.00 25.34 C ATOM 255 CG TRP A 15 -2.212 3.860 -0.406 1.00 23.43 C ATOM 256 CD1 TRP A 15 -2.151 4.558 -1.578 1.00 63.22 C ATOM 257 CD2 TRP A 15 -1.019 4.183 0.317 1.00 63.53 C ATOM 258 NE1 TRP A 15 -0.993 5.294 -1.628 1.00 52.45 N ATOM 259 CE2 TRP A 15 -0.281 5.083 -0.477 1.00 33.32 C ATOM 260 CE3 TRP A 15 -0.503 3.800 1.558 1.00 63.23 C ATOM 261 CZ2 TRP A 15 0.943 5.603 -0.068 1.00 44.13 C ATOM 262 CZ3 TRP A 15 0.714 4.318 1.962 1.00 33.31 C ATOM 263 CH2 TRP A 15 1.425 5.212 1.151 1.00 42.31 C ATOM 0 H TRP A 15 -4.852 3.912 -1.618 1.00 42.34 H new ATOM 0 HA TRP A 15 -3.094 1.717 -1.720 1.00 73.32 H new ATOM 0 HB2 TRP A 15 -4.099 3.524 0.503 1.00 25.34 H new ATOM 0 HB3 TRP A 15 -2.918 2.263 0.798 1.00 25.34 H new ATOM 0 HD1 TRP A 15 -2.904 4.535 -2.352 1.00 63.22 H new ATOM 0 HE1 TRP A 15 -0.709 5.900 -2.398 1.00 52.45 H new ATOM 0 HE3 TRP A 15 -1.045 3.112 2.190 1.00 63.23 H new ATOM 0 HZ2 TRP A 15 1.494 6.292 -0.692 1.00 44.13 H new ATOM 0 HZ3 TRP A 15 1.123 4.028 2.919 1.00 33.31 H new ATOM 0 HH2 TRP A 15 2.372 5.600 1.495 1.00 42.31 H new ATOM 274 N LYS A 16 -5.850 1.242 0.050 1.00 24.03 N ATOM 275 CA LYS A 16 -6.705 0.213 0.628 1.00 10.11 C ATOM 276 C LYS A 16 -7.437 -0.562 -0.462 1.00 33.03 C ATOM 277 O LYS A 16 -7.833 -1.711 -0.263 1.00 22.21 O ATOM 278 CB LYS A 16 -7.717 0.843 1.589 1.00 25.31 C ATOM 279 CG LYS A 16 -8.690 1.791 0.911 1.00 24.01 C ATOM 280 CD LYS A 16 -10.106 1.238 0.922 1.00 64.52 C ATOM 281 CE LYS A 16 -10.961 1.916 1.980 1.00 73.04 C ATOM 282 NZ LYS A 16 -12.080 2.692 1.376 1.00 70.32 N ATOM 0 H LYS A 16 -6.212 2.191 0.141 1.00 24.03 H new ATOM 0 HA LYS A 16 -6.072 -0.482 1.180 1.00 10.11 H new ATOM 0 HB2 LYS A 16 -8.279 0.050 2.082 1.00 25.31 H new ATOM 0 HB3 LYS A 16 -7.179 1.384 2.367 1.00 25.31 H new ATOM 0 HG2 LYS A 16 -8.671 2.756 1.417 1.00 24.01 H new ATOM 0 HG3 LYS A 16 -8.374 1.964 -0.118 1.00 24.01 H new ATOM 0 HD2 LYS A 16 -10.560 1.378 -0.059 1.00 64.52 H new ATOM 0 HD3 LYS A 16 -10.077 0.165 1.109 1.00 64.52 H new ATOM 0 HE2 LYS A 16 -11.365 1.164 2.657 1.00 73.04 H new ATOM 0 HE3 LYS A 16 -10.339 2.582 2.578 1.00 73.04 H new ATOM 0 HZ1 LYS A 16 -12.639 3.139 2.130 1.00 70.32 H new ATOM 0 HZ2 LYS A 16 -11.694 3.427 0.749 1.00 70.32 H new ATOM 0 HZ3 LYS A 16 -12.689 2.053 0.826 1.00 70.32 H new ATOM 296 N LYS A 17 -7.615 0.073 -1.616 1.00 22.24 N ATOM 297 CA LYS A 17 -8.298 -0.557 -2.739 1.00 44.01 C ATOM 298 C LYS A 17 -7.415 -1.622 -3.384 1.00 62.21 C ATOM 299 O LYS A 17 -7.805 -2.786 -3.488 1.00 2.31 O ATOM 300 CB LYS A 17 -8.689 0.495 -3.780 1.00 42.03 C ATOM 301 CG LYS A 17 -10.105 1.017 -3.613 1.00 52.12 C ATOM 302 CD LYS A 17 -11.127 0.053 -4.189 1.00 12.12 C ATOM 303 CE LYS A 17 -12.462 0.738 -4.440 1.00 3.10 C ATOM 304 NZ LYS A 17 -12.485 1.445 -5.750 1.00 31.33 N ATOM 0 H LYS A 17 -7.295 1.024 -1.798 1.00 22.24 H new ATOM 0 HA LYS A 17 -9.200 -1.038 -2.360 1.00 44.01 H new ATOM 0 HB2 LYS A 17 -7.993 1.331 -3.719 1.00 42.03 H new ATOM 0 HB3 LYS A 17 -8.584 0.065 -4.776 1.00 42.03 H new ATOM 0 HG2 LYS A 17 -10.312 1.178 -2.555 1.00 52.12 H new ATOM 0 HG3 LYS A 17 -10.198 1.984 -4.107 1.00 52.12 H new ATOM 0 HD2 LYS A 17 -10.750 -0.363 -5.123 1.00 12.12 H new ATOM 0 HD3 LYS A 17 -11.269 -0.781 -3.502 1.00 12.12 H new ATOM 0 HE2 LYS A 17 -13.261 -0.003 -4.413 1.00 3.10 H new ATOM 0 HE3 LYS A 17 -12.661 1.450 -3.639 1.00 3.10 H new ATOM 0 HZ1 LYS A 17 -13.411 1.899 -5.883 1.00 31.33 H new ATOM 0 HZ2 LYS A 17 -11.739 2.170 -5.767 1.00 31.33 H new ATOM 0 HZ3 LYS A 17 -12.321 0.761 -6.516 1.00 31.33 H new ATOM 318 N LEU A 18 -6.226 -1.217 -3.814 1.00 70.22 N ATOM 319 CA LEU A 18 -5.287 -2.137 -4.448 1.00 75.14 C ATOM 320 C LEU A 18 -5.013 -3.339 -3.550 1.00 53.15 C ATOM 321 O LEU A 18 -4.907 -4.469 -4.024 1.00 52.11 O ATOM 322 CB LEU A 18 -3.976 -1.417 -4.771 1.00 11.32 C ATOM 323 CG LEU A 18 -4.003 -0.486 -5.983 1.00 43.42 C ATOM 324 CD1 LEU A 18 -2.982 0.630 -5.822 1.00 51.40 C ATOM 325 CD2 LEU A 18 -3.743 -1.268 -7.262 1.00 22.11 C ATOM 0 H LEU A 18 -5.888 -0.258 -3.736 1.00 70.22 H new ATOM 0 HA LEU A 18 -5.736 -2.494 -5.375 1.00 75.14 H new ATOM 0 HB2 LEU A 18 -3.679 -0.836 -3.898 1.00 11.32 H new ATOM 0 HB3 LEU A 18 -3.202 -2.168 -4.932 1.00 11.32 H new ATOM 0 HG LEU A 18 -4.994 -0.037 -6.050 1.00 43.42 H new ATOM 0 HD11 LEU A 18 -3.016 1.283 -6.694 1.00 51.40 H new ATOM 0 HD12 LEU A 18 -3.213 1.208 -4.927 1.00 51.40 H new ATOM 0 HD13 LEU A 18 -1.985 0.200 -5.729 1.00 51.40 H new ATOM 0 HD21 LEU A 18 -3.766 -0.589 -8.115 1.00 22.11 H new ATOM 0 HD22 LEU A 18 -2.765 -1.745 -7.204 1.00 22.11 H new ATOM 0 HD23 LEU A 18 -4.512 -2.031 -7.385 1.00 22.11 H new ATOM 337 N ALA A 19 -4.900 -3.086 -2.250 1.00 73.12 N ATOM 338 CA ALA A 19 -4.643 -4.148 -1.285 1.00 74.51 C ATOM 339 C ALA A 19 -5.720 -5.225 -1.354 1.00 34.11 C ATOM 340 O ALA A 19 -5.493 -6.368 -0.960 1.00 55.11 O ATOM 341 CB ALA A 19 -4.557 -3.573 0.121 1.00 21.45 C ATOM 0 H ALA A 19 -4.982 -2.155 -1.841 1.00 73.12 H new ATOM 0 HA ALA A 19 -3.688 -4.610 -1.536 1.00 74.51 H new ATOM 0 HB1 ALA A 19 -4.365 -4.377 0.832 1.00 21.45 H new ATOM 0 HB2 ALA A 19 -3.746 -2.846 0.168 1.00 21.45 H new ATOM 0 HB3 ALA A 19 -5.498 -3.084 0.372 1.00 21.45 H new ATOM 347 N GLU A 20 -6.893 -4.852 -1.856 1.00 14.30 N ATOM 348 CA GLU A 20 -8.006 -5.787 -1.974 1.00 44.51 C ATOM 349 C GLU A 20 -7.763 -6.781 -3.105 1.00 24.31 C ATOM 350 O GLU A 20 -7.904 -7.990 -2.922 1.00 23.11 O ATOM 351 CB GLU A 20 -9.313 -5.031 -2.218 1.00 54.42 C ATOM 352 CG GLU A 20 -9.521 -3.856 -1.277 1.00 14.20 C ATOM 353 CD GLU A 20 -10.851 -3.920 -0.549 1.00 40.03 C ATOM 354 OE1 GLU A 20 -11.891 -3.668 -1.192 1.00 54.34 O ATOM 355 OE2 GLU A 20 -10.851 -4.221 0.663 1.00 63.02 O ATOM 0 H GLU A 20 -7.097 -3.909 -2.187 1.00 14.30 H new ATOM 0 HA GLU A 20 -8.084 -6.339 -1.037 1.00 44.51 H new ATOM 0 HB2 GLU A 20 -9.327 -4.669 -3.246 1.00 54.42 H new ATOM 0 HB3 GLU A 20 -10.148 -5.723 -2.112 1.00 54.42 H new ATOM 0 HG2 GLU A 20 -8.712 -3.832 -0.547 1.00 14.20 H new ATOM 0 HG3 GLU A 20 -9.466 -2.927 -1.844 1.00 14.20 H new ATOM 363 N GLU A 21 -7.396 -6.263 -4.273 1.00 54.13 N ATOM 364 CA GLU A 21 -7.135 -7.105 -5.434 1.00 22.24 C ATOM 365 C GLU A 21 -5.811 -7.848 -5.280 1.00 23.32 C ATOM 366 O GLU A 21 -5.744 -9.064 -5.459 1.00 22.01 O ATOM 367 CB GLU A 21 -7.114 -6.262 -6.710 1.00 3.41 C ATOM 368 CG GLU A 21 -8.346 -5.391 -6.884 1.00 50.13 C ATOM 369 CD GLU A 21 -9.205 -5.823 -8.057 1.00 42.22 C ATOM 370 OE1 GLU A 21 -8.685 -5.854 -9.192 1.00 45.24 O ATOM 371 OE2 GLU A 21 -10.396 -6.128 -7.841 1.00 61.32 O ATOM 0 H GLU A 21 -7.273 -5.264 -4.440 1.00 54.13 H new ATOM 0 HA GLU A 21 -7.938 -7.839 -5.506 1.00 22.24 H new ATOM 0 HB2 GLU A 21 -6.228 -5.627 -6.701 1.00 3.41 H new ATOM 0 HB3 GLU A 21 -7.023 -6.924 -7.571 1.00 3.41 H new ATOM 0 HG2 GLU A 21 -8.941 -5.423 -5.971 1.00 50.13 H new ATOM 0 HG3 GLU A 21 -8.037 -4.355 -7.027 1.00 50.13 H new ATOM 379 N ALA A 22 -4.758 -7.107 -4.947 1.00 73.23 N ATOM 380 CA ALA A 22 -3.437 -7.694 -4.768 1.00 23.32 C ATOM 381 C ALA A 22 -3.475 -8.832 -3.753 1.00 63.30 C ATOM 382 O ALA A 22 -2.696 -9.781 -3.842 1.00 33.30 O ATOM 383 CB ALA A 22 -2.440 -6.629 -4.333 1.00 73.33 C ATOM 0 H ALA A 22 -4.795 -6.099 -4.796 1.00 73.23 H new ATOM 0 HA ALA A 22 -3.117 -8.106 -5.725 1.00 23.32 H new ATOM 0 HB1 ALA A 22 -1.457 -7.082 -4.203 1.00 73.33 H new ATOM 0 HB2 ALA A 22 -2.383 -5.851 -5.094 1.00 73.33 H new ATOM 0 HB3 ALA A 22 -2.765 -6.190 -3.390 1.00 73.33 H new ATOM 389 N ALA A 23 -4.383 -8.728 -2.789 1.00 34.32 N ATOM 390 CA ALA A 23 -4.522 -9.750 -1.758 1.00 40.41 C ATOM 391 C ALA A 23 -5.120 -11.030 -2.331 1.00 1.31 C ATOM 392 O ALA A 23 -4.550 -12.112 -2.188 1.00 44.21 O ATOM 393 CB ALA A 23 -5.380 -9.230 -0.613 1.00 73.22 C ATOM 0 H ALA A 23 -5.033 -7.947 -2.700 1.00 34.32 H new ATOM 0 HA ALA A 23 -3.528 -9.984 -1.376 1.00 40.41 H new ATOM 0 HB1 ALA A 23 -5.476 -10.003 0.150 1.00 73.22 H new ATOM 0 HB2 ALA A 23 -4.911 -8.347 -0.178 1.00 73.22 H new ATOM 0 HB3 ALA A 23 -6.369 -8.967 -0.989 1.00 73.22 H new ATOM 399 N LYS A 24 -6.273 -10.901 -2.979 1.00 71.10 N ATOM 400 CA LYS A 24 -6.948 -12.048 -3.574 1.00 74.34 C ATOM 401 C LYS A 24 -6.102 -12.662 -4.684 1.00 74.24 C ATOM 402 O LYS A 24 -6.109 -13.878 -4.884 1.00 40.52 O ATOM 403 CB LYS A 24 -8.312 -11.630 -4.130 1.00 1.15 C ATOM 404 CG LYS A 24 -8.239 -10.482 -5.121 1.00 40.32 C ATOM 405 CD LYS A 24 -9.615 -10.115 -5.653 1.00 21.51 C ATOM 406 CE LYS A 24 -10.273 -9.041 -4.802 1.00 31.31 C ATOM 407 NZ LYS A 24 -11.759 -9.113 -4.870 1.00 32.34 N ATOM 0 H LYS A 24 -6.759 -10.013 -3.105 1.00 71.10 H new ATOM 0 HA LYS A 24 -7.093 -12.797 -2.795 1.00 74.34 H new ATOM 0 HB2 LYS A 24 -8.776 -12.489 -4.615 1.00 1.15 H new ATOM 0 HB3 LYS A 24 -8.960 -11.343 -3.302 1.00 1.15 H new ATOM 0 HG2 LYS A 24 -7.790 -9.613 -4.640 1.00 40.32 H new ATOM 0 HG3 LYS A 24 -7.589 -10.758 -5.951 1.00 40.32 H new ATOM 0 HD2 LYS A 24 -9.527 -9.763 -6.681 1.00 21.51 H new ATOM 0 HD3 LYS A 24 -10.247 -11.003 -5.673 1.00 21.51 H new ATOM 0 HE2 LYS A 24 -9.951 -9.150 -3.766 1.00 31.31 H new ATOM 0 HE3 LYS A 24 -9.941 -8.058 -5.137 1.00 31.31 H new ATOM 0 HZ1 LYS A 24 -12.170 -8.365 -4.277 1.00 32.34 H new ATOM 0 HZ2 LYS A 24 -12.068 -8.983 -5.855 1.00 32.34 H new ATOM 0 HZ3 LYS A 24 -12.078 -10.041 -4.526 1.00 32.34 H new ATOM 421 N LEU A 25 -5.373 -11.816 -5.403 1.00 73.22 N ATOM 422 CA LEU A 25 -4.520 -12.276 -6.493 1.00 70.20 C ATOM 423 C LEU A 25 -3.242 -12.910 -5.953 1.00 60.44 C ATOM 424 O LEU A 25 -2.762 -13.913 -6.484 1.00 15.24 O ATOM 425 CB LEU A 25 -4.172 -11.110 -7.422 1.00 21.44 C ATOM 426 CG LEU A 25 -4.959 -11.037 -8.730 1.00 74.14 C ATOM 427 CD1 LEU A 25 -4.503 -9.848 -9.562 1.00 71.20 C ATOM 428 CD2 LEU A 25 -4.808 -12.330 -9.518 1.00 25.20 C ATOM 0 H LEU A 25 -5.355 -10.808 -5.251 1.00 73.22 H new ATOM 0 HA LEU A 25 -5.068 -13.031 -7.057 1.00 70.20 H new ATOM 0 HB2 LEU A 25 -4.325 -10.179 -6.877 1.00 21.44 H new ATOM 0 HB3 LEU A 25 -3.110 -11.168 -7.663 1.00 21.44 H new ATOM 0 HG LEU A 25 -6.014 -10.903 -8.489 1.00 74.14 H new ATOM 0 HD11 LEU A 25 -5.074 -9.812 -10.489 1.00 71.20 H new ATOM 0 HD12 LEU A 25 -4.665 -8.928 -9.001 1.00 71.20 H new ATOM 0 HD13 LEU A 25 -3.443 -9.951 -9.793 1.00 71.20 H new ATOM 0 HD21 LEU A 25 -5.375 -12.259 -10.446 1.00 25.20 H new ATOM 0 HD22 LEU A 25 -3.755 -12.495 -9.748 1.00 25.20 H new ATOM 0 HD23 LEU A 25 -5.185 -13.163 -8.925 1.00 25.20 H new ATOM 440 N LEU A 26 -2.697 -12.320 -4.896 1.00 2.54 N ATOM 441 CA LEU A 26 -1.475 -12.829 -4.281 1.00 42.31 C ATOM 442 C LEU A 26 -1.588 -14.324 -4.000 1.00 14.31 C ATOM 443 O LEU A 26 -0.723 -15.105 -4.392 1.00 3.31 O ATOM 444 CB LEU A 26 -1.181 -12.075 -2.983 1.00 41.13 C ATOM 445 CG LEU A 26 -0.153 -10.947 -3.080 1.00 74.40 C ATOM 446 CD1 LEU A 26 -0.219 -10.057 -1.848 1.00 31.43 C ATOM 447 CD2 LEU A 26 1.248 -11.516 -3.256 1.00 12.24 C ATOM 0 H LEU A 26 -3.081 -11.489 -4.446 1.00 2.54 H new ATOM 0 HA LEU A 26 -0.653 -12.671 -4.980 1.00 42.31 H new ATOM 0 HB2 LEU A 26 -2.116 -11.657 -2.610 1.00 41.13 H new ATOM 0 HB3 LEU A 26 -0.834 -12.793 -2.240 1.00 41.13 H new ATOM 0 HG LEU A 26 -0.389 -10.340 -3.954 1.00 74.40 H new ATOM 0 HD11 LEU A 26 0.520 -9.260 -1.935 1.00 31.43 H new ATOM 0 HD12 LEU A 26 -1.215 -9.621 -1.767 1.00 31.43 H new ATOM 0 HD13 LEU A 26 -0.009 -10.651 -0.958 1.00 31.43 H new ATOM 0 HD21 LEU A 26 1.967 -10.699 -3.323 1.00 12.24 H new ATOM 0 HD22 LEU A 26 1.494 -12.147 -2.402 1.00 12.24 H new ATOM 0 HD23 LEU A 26 1.287 -12.110 -4.169 1.00 12.24 H new ATOM 459 N GLU A 27 -2.663 -14.713 -3.321 1.00 11.42 N ATOM 460 CA GLU A 27 -2.890 -16.114 -2.989 1.00 4.21 C ATOM 461 C GLU A 27 -3.439 -16.876 -4.191 1.00 70.52 C ATOM 462 O GLU A 27 -3.496 -18.106 -4.188 1.00 44.14 O ATOM 463 CB GLU A 27 -3.858 -16.232 -1.811 1.00 1.04 C ATOM 464 CG GLU A 27 -3.173 -16.519 -0.485 1.00 41.32 C ATOM 465 CD GLU A 27 -4.128 -16.459 0.691 1.00 13.33 C ATOM 466 OE1 GLU A 27 -3.648 -16.384 1.842 1.00 25.33 O ATOM 467 OE2 GLU A 27 -5.355 -16.486 0.461 1.00 3.23 O ATOM 0 H GLU A 27 -3.389 -14.078 -2.991 1.00 11.42 H new ATOM 0 HA GLU A 27 -1.933 -16.554 -2.708 1.00 4.21 H new ATOM 0 HB2 GLU A 27 -4.425 -15.305 -1.724 1.00 1.04 H new ATOM 0 HB3 GLU A 27 -4.575 -17.026 -2.019 1.00 1.04 H new ATOM 0 HG2 GLU A 27 -2.713 -17.506 -0.524 1.00 41.32 H new ATOM 0 HG3 GLU A 27 -2.369 -15.799 -0.332 1.00 41.32 H new ATOM 475 N GLY A 28 -3.843 -16.136 -5.219 1.00 23.42 N ATOM 476 CA GLY A 28 -4.384 -16.758 -6.414 1.00 42.21 C ATOM 477 C GLY A 28 -5.679 -17.499 -6.147 1.00 51.31 C ATOM 478 O GLY A 28 -6.072 -18.375 -6.916 1.00 45.43 O ATOM 0 H GLY A 28 -3.805 -15.117 -5.246 1.00 23.42 H new ATOM 0 HA2 GLY A 28 -4.556 -15.993 -7.172 1.00 42.21 H new ATOM 0 HA3 GLY A 28 -3.650 -17.452 -6.823 1.00 42.21 H new ATOM 482 N GLY A 29 -6.344 -17.147 -5.051 1.00 32.11 N ATOM 483 CA GLY A 29 -7.595 -17.796 -4.702 1.00 61.34 C ATOM 484 C GLY A 29 -7.432 -19.285 -4.473 1.00 64.23 C ATOM 485 O GLY A 29 -8.402 -20.039 -4.525 1.00 75.31 O ATOM 0 H GLY A 29 -6.039 -16.424 -4.399 1.00 32.11 H new ATOM 0 HA2 GLY A 29 -8.001 -17.335 -3.801 1.00 61.34 H new ATOM 0 HA3 GLY A 29 -8.321 -17.631 -5.499 1.00 61.34 H new ATOM 489 N GLY A 30 -6.198 -19.712 -4.221 1.00 4.55 N ATOM 490 CA GLY A 30 -5.932 -21.120 -3.988 1.00 34.30 C ATOM 491 C GLY A 30 -4.626 -21.574 -4.609 1.00 14.40 C ATOM 492 O GLY A 30 -4.600 -22.518 -5.397 1.00 61.24 O ATOM 0 H GLY A 30 -5.378 -19.108 -4.174 1.00 4.55 H new ATOM 0 HA2 GLY A 30 -5.905 -21.309 -2.915 1.00 34.30 H new ATOM 0 HA3 GLY A 30 -6.750 -21.713 -4.396 1.00 34.30 H new ATOM 496 N GLY A 31 -3.537 -20.898 -4.253 1.00 54.31 N ATOM 497 CA GLY A 31 -2.237 -21.250 -4.791 1.00 20.32 C ATOM 498 C GLY A 31 -1.098 -20.805 -3.895 1.00 3.10 C ATOM 499 O GLY A 31 -1.319 -20.144 -2.881 1.00 31.44 O ATOM 0 H GLY A 31 -3.533 -20.113 -3.602 1.00 54.31 H new ATOM 0 HA2 GLY A 31 -2.185 -22.330 -4.930 1.00 20.32 H new ATOM 0 HA3 GLY A 31 -2.120 -20.796 -5.775 1.00 20.32 H new ATOM 503 N GLY A 32 0.125 -21.168 -4.270 1.00 62.03 N ATOM 504 CA GLY A 32 1.284 -20.793 -3.481 1.00 71.21 C ATOM 505 C GLY A 32 1.138 -21.172 -2.021 1.00 1.11 C ATOM 506 O GLY A 32 0.434 -22.124 -1.686 1.00 72.33 O ATOM 0 H GLY A 32 0.334 -21.715 -5.105 1.00 62.03 H new ATOM 0 HA2 GLY A 32 2.171 -21.276 -3.892 1.00 71.21 H new ATOM 0 HA3 GLY A 32 1.441 -19.717 -3.560 1.00 71.21 H new ATOM 510 N GLY A 33 1.808 -20.426 -1.147 1.00 32.32 N ATOM 511 CA GLY A 33 1.737 -20.705 0.275 1.00 0.14 C ATOM 512 C GLY A 33 0.342 -20.513 0.836 1.00 24.43 C ATOM 513 O GLY A 33 -0.299 -21.470 1.268 1.00 23.35 O ATOM 0 H GLY A 33 2.399 -19.633 -1.399 1.00 32.32 H new ATOM 0 HA2 GLY A 33 2.060 -21.730 0.457 1.00 0.14 H new ATOM 0 HA3 GLY A 33 2.431 -20.053 0.805 1.00 0.14 H new ATOM 517 N GLY A 34 -0.130 -19.270 0.830 1.00 3.24 N ATOM 518 CA GLY A 34 -1.455 -18.977 1.346 1.00 20.11 C ATOM 519 C GLY A 34 -1.560 -19.214 2.840 1.00 41.45 C ATOM 520 O GLY A 34 -0.874 -20.074 3.389 1.00 43.20 O ATOM 0 H GLY A 34 0.381 -18.461 0.477 1.00 3.24 H new ATOM 0 HA2 GLY A 34 -1.706 -17.939 1.127 1.00 20.11 H new ATOM 0 HA3 GLY A 34 -2.188 -19.597 0.830 1.00 20.11 H new ATOM 524 N GLY A 35 -2.422 -18.446 3.499 1.00 12.30 N ATOM 525 CA GLY A 35 -2.598 -18.591 4.932 1.00 10.52 C ATOM 526 C GLY A 35 -2.492 -17.268 5.666 1.00 21.23 C ATOM 527 O GLY A 35 -2.722 -16.209 5.084 1.00 12.02 O ATOM 0 H GLY A 35 -3.001 -17.726 3.066 1.00 12.30 H new ATOM 0 HA2 GLY A 35 -3.572 -19.037 5.132 1.00 10.52 H new ATOM 0 HA3 GLY A 35 -1.847 -19.279 5.319 1.00 10.52 H new ATOM 531 N GLU A 36 -2.143 -17.330 6.947 1.00 3.42 N ATOM 532 CA GLU A 36 -2.009 -16.128 7.762 1.00 73.14 C ATOM 533 C GLU A 36 -0.876 -15.245 7.246 1.00 41.03 C ATOM 534 O GLU A 36 -0.913 -14.021 7.387 1.00 25.53 O ATOM 535 CB GLU A 36 -1.755 -16.499 9.224 1.00 73.52 C ATOM 536 CG GLU A 36 -1.381 -15.314 10.098 1.00 41.14 C ATOM 537 CD GLU A 36 -1.185 -15.699 11.551 1.00 60.51 C ATOM 538 OE1 GLU A 36 -0.030 -15.967 11.942 1.00 63.52 O ATOM 539 OE2 GLU A 36 -2.186 -15.733 12.296 1.00 21.45 O ATOM 0 H GLU A 36 -1.948 -18.200 7.443 1.00 3.42 H new ATOM 0 HA GLU A 36 -2.943 -15.570 7.695 1.00 73.14 H new ATOM 0 HB2 GLU A 36 -2.649 -16.971 9.631 1.00 73.52 H new ATOM 0 HB3 GLU A 36 -0.956 -17.239 9.268 1.00 73.52 H new ATOM 0 HG2 GLU A 36 -0.464 -14.863 9.719 1.00 41.14 H new ATOM 0 HG3 GLU A 36 -2.161 -14.556 10.029 1.00 41.14 H new ATOM 547 N LEU A 37 0.131 -15.874 6.649 1.00 15.32 N ATOM 548 CA LEU A 37 1.276 -15.147 6.112 1.00 41.12 C ATOM 549 C LEU A 37 0.822 -14.021 5.189 1.00 45.04 C ATOM 550 O LEU A 37 1.437 -12.956 5.144 1.00 4.32 O ATOM 551 CB LEU A 37 2.202 -16.101 5.355 1.00 23.24 C ATOM 552 CG LEU A 37 1.749 -16.501 3.951 1.00 64.44 C ATOM 553 CD1 LEU A 37 2.298 -15.530 2.917 1.00 72.21 C ATOM 554 CD2 LEU A 37 2.190 -17.923 3.634 1.00 34.22 C ATOM 0 H LEU A 37 0.178 -16.885 6.525 1.00 15.32 H new ATOM 0 HA LEU A 37 1.821 -14.709 6.948 1.00 41.12 H new ATOM 0 HB2 LEU A 37 3.186 -15.637 5.280 1.00 23.24 H new ATOM 0 HB3 LEU A 37 2.321 -17.007 5.949 1.00 23.24 H new ATOM 0 HG LEU A 37 0.660 -16.462 3.916 1.00 64.44 H new ATOM 0 HD11 LEU A 37 1.965 -15.830 1.923 1.00 72.21 H new ATOM 0 HD12 LEU A 37 1.935 -14.525 3.133 1.00 72.21 H new ATOM 0 HD13 LEU A 37 3.387 -15.538 2.953 1.00 72.21 H new ATOM 0 HD21 LEU A 37 1.859 -18.191 2.631 1.00 34.22 H new ATOM 0 HD22 LEU A 37 3.277 -17.987 3.687 1.00 34.22 H new ATOM 0 HD23 LEU A 37 1.750 -18.610 4.357 1.00 34.22 H new ATOM 566 N MET A 38 -0.258 -14.265 4.454 1.00 61.04 N ATOM 567 CA MET A 38 -0.795 -13.269 3.533 1.00 10.55 C ATOM 568 C MET A 38 -1.484 -12.140 4.294 1.00 1.23 C ATOM 569 O MET A 38 -1.433 -10.980 3.885 1.00 21.15 O ATOM 570 CB MET A 38 -1.782 -13.921 2.563 1.00 5.01 C ATOM 571 CG MET A 38 -2.390 -12.946 1.568 1.00 33.31 C ATOM 572 SD MET A 38 -4.165 -13.188 1.356 1.00 73.22 S ATOM 573 CE MET A 38 -4.754 -12.846 3.012 1.00 14.34 C ATOM 0 H MET A 38 -0.778 -15.142 4.478 1.00 61.04 H new ATOM 0 HA MET A 38 0.036 -12.848 2.967 1.00 10.55 H new ATOM 0 HB2 MET A 38 -1.272 -14.714 2.017 1.00 5.01 H new ATOM 0 HB3 MET A 38 -2.583 -14.392 3.134 1.00 5.01 H new ATOM 0 HG2 MET A 38 -2.204 -11.926 1.904 1.00 33.31 H new ATOM 0 HG3 MET A 38 -1.894 -13.060 0.604 1.00 33.31 H new ATOM 0 HE1 MET A 38 -5.803 -12.553 2.972 1.00 14.34 H new ATOM 0 HE2 MET A 38 -4.651 -13.740 3.627 1.00 14.34 H new ATOM 0 HE3 MET A 38 -4.167 -12.037 3.447 1.00 14.34 H new ATOM 583 N LYS A 39 -2.127 -12.488 5.404 1.00 44.21 N ATOM 584 CA LYS A 39 -2.825 -11.505 6.224 1.00 50.41 C ATOM 585 C LYS A 39 -1.895 -10.358 6.608 1.00 41.02 C ATOM 586 O LYS A 39 -2.334 -9.220 6.782 1.00 14.32 O ATOM 587 CB LYS A 39 -3.383 -12.166 7.486 1.00 33.42 C ATOM 588 CG LYS A 39 -4.493 -11.368 8.150 1.00 31.42 C ATOM 589 CD LYS A 39 -4.503 -11.575 9.655 1.00 21.13 C ATOM 590 CE LYS A 39 -5.811 -11.105 10.274 1.00 42.12 C ATOM 591 NZ LYS A 39 -5.856 -11.364 11.739 1.00 1.22 N ATOM 0 H LYS A 39 -2.179 -13.444 5.756 1.00 44.21 H new ATOM 0 HA LYS A 39 -3.650 -11.101 5.638 1.00 50.41 H new ATOM 0 HB2 LYS A 39 -3.761 -13.156 7.231 1.00 33.42 H new ATOM 0 HB3 LYS A 39 -2.572 -12.309 8.200 1.00 33.42 H new ATOM 0 HG2 LYS A 39 -4.364 -10.309 7.928 1.00 31.42 H new ATOM 0 HG3 LYS A 39 -5.456 -11.666 7.734 1.00 31.42 H new ATOM 0 HD2 LYS A 39 -4.352 -12.631 9.879 1.00 21.13 H new ATOM 0 HD3 LYS A 39 -3.671 -11.032 10.104 1.00 21.13 H new ATOM 0 HE2 LYS A 39 -5.937 -10.038 10.090 1.00 42.12 H new ATOM 0 HE3 LYS A 39 -6.645 -11.613 9.790 1.00 42.12 H new ATOM 0 HZ1 LYS A 39 -6.763 -11.030 12.123 1.00 1.22 H new ATOM 0 HZ2 LYS A 39 -5.761 -12.385 11.914 1.00 1.22 H new ATOM 0 HZ3 LYS A 39 -5.075 -10.859 12.205 1.00 1.22 H new ATOM 605 N LEU A 40 -0.609 -10.663 6.737 1.00 72.13 N ATOM 606 CA LEU A 40 0.384 -9.657 7.099 1.00 71.54 C ATOM 607 C LEU A 40 0.317 -8.461 6.153 1.00 11.31 C ATOM 608 O LEU A 40 0.113 -7.326 6.586 1.00 1.12 O ATOM 609 CB LEU A 40 1.787 -10.264 7.071 1.00 25.55 C ATOM 610 CG LEU A 40 2.238 -10.972 8.350 1.00 32.20 C ATOM 611 CD1 LEU A 40 2.877 -9.982 9.311 1.00 73.11 C ATOM 612 CD2 LEU A 40 1.062 -11.677 9.011 1.00 62.45 C ATOM 0 H LEU A 40 -0.229 -11.599 6.596 1.00 72.13 H new ATOM 0 HA LEU A 40 0.164 -9.312 8.109 1.00 71.54 H new ATOM 0 HB2 LEU A 40 1.836 -10.977 6.248 1.00 25.55 H new ATOM 0 HB3 LEU A 40 2.500 -9.470 6.848 1.00 25.55 H new ATOM 0 HG LEU A 40 2.984 -11.722 8.085 1.00 32.20 H new ATOM 0 HD11 LEU A 40 3.192 -10.504 10.215 1.00 73.11 H new ATOM 0 HD12 LEU A 40 3.744 -9.523 8.837 1.00 73.11 H new ATOM 0 HD13 LEU A 40 2.154 -9.209 9.571 1.00 73.11 H new ATOM 0 HD21 LEU A 40 1.400 -12.175 9.919 1.00 62.45 H new ATOM 0 HD22 LEU A 40 0.294 -10.946 9.263 1.00 62.45 H new ATOM 0 HD23 LEU A 40 0.648 -12.416 8.325 1.00 62.45 H new ATOM 624 N CYS A 41 0.487 -8.723 4.862 1.00 11.05 N ATOM 625 CA CYS A 41 0.444 -7.669 3.856 1.00 73.24 C ATOM 626 C CYS A 41 -0.941 -7.034 3.793 1.00 75.11 C ATOM 627 O CYS A 41 -1.074 -5.833 3.560 1.00 44.32 O ATOM 628 CB CYS A 41 0.825 -8.228 2.485 1.00 73.40 C ATOM 629 SG CYS A 41 2.357 -9.188 2.478 1.00 11.44 S ATOM 0 H CYS A 41 0.656 -9.657 4.488 1.00 11.05 H new ATOM 0 HA CYS A 41 1.163 -6.901 4.139 1.00 73.24 H new ATOM 0 HB2 CYS A 41 0.013 -8.858 2.123 1.00 73.40 H new ATOM 0 HB3 CYS A 41 0.924 -7.401 1.782 1.00 73.40 H new ATOM 0 HG CYS A 41 2.792 -9.302 1.258 1.00 11.44 H new ATOM 635 N GLU A 42 -1.972 -7.850 3.999 1.00 45.50 N ATOM 636 CA GLU A 42 -3.346 -7.367 3.963 1.00 55.33 C ATOM 637 C GLU A 42 -3.545 -6.215 4.945 1.00 34.33 C ATOM 638 O GLU A 42 -4.421 -5.372 4.758 1.00 11.24 O ATOM 639 CB GLU A 42 -4.319 -8.503 4.288 1.00 45.44 C ATOM 640 CG GLU A 42 -5.770 -8.062 4.354 1.00 32.13 C ATOM 641 CD GLU A 42 -6.738 -9.228 4.285 1.00 74.11 C ATOM 642 OE1 GLU A 42 -7.226 -9.527 3.176 1.00 34.41 O ATOM 643 OE2 GLU A 42 -7.007 -9.839 5.340 1.00 24.10 O ATOM 0 H GLU A 42 -1.880 -8.847 4.192 1.00 45.50 H new ATOM 0 HA GLU A 42 -3.549 -7.002 2.956 1.00 55.33 H new ATOM 0 HB2 GLU A 42 -4.219 -9.283 3.533 1.00 45.44 H new ATOM 0 HB3 GLU A 42 -4.039 -8.947 5.243 1.00 45.44 H new ATOM 0 HG2 GLU A 42 -5.937 -7.511 5.279 1.00 32.13 H new ATOM 0 HG3 GLU A 42 -5.975 -7.375 3.533 1.00 32.13 H new ATOM 651 N GLU A 43 -2.725 -6.190 5.991 1.00 34.24 N ATOM 652 CA GLU A 43 -2.813 -5.144 7.003 1.00 31.24 C ATOM 653 C GLU A 43 -2.700 -3.762 6.368 1.00 65.04 C ATOM 654 O GLU A 43 -3.202 -2.776 6.907 1.00 22.13 O ATOM 655 CB GLU A 43 -1.715 -5.327 8.053 1.00 21.11 C ATOM 656 CG GLU A 43 -1.737 -6.689 8.726 1.00 3.41 C ATOM 657 CD GLU A 43 -2.309 -6.637 10.129 1.00 54.21 C ATOM 658 OE1 GLU A 43 -1.636 -7.121 11.063 1.00 1.32 O ATOM 659 OE2 GLU A 43 -3.431 -6.114 10.293 1.00 53.12 O ATOM 0 H GLU A 43 -1.994 -6.881 6.160 1.00 34.24 H new ATOM 0 HA GLU A 43 -3.786 -5.223 7.488 1.00 31.24 H new ATOM 0 HB2 GLU A 43 -0.744 -5.180 7.580 1.00 21.11 H new ATOM 0 HB3 GLU A 43 -1.819 -4.553 8.814 1.00 21.11 H new ATOM 0 HG2 GLU A 43 -2.327 -7.379 8.122 1.00 3.41 H new ATOM 0 HG3 GLU A 43 -0.723 -7.087 8.766 1.00 3.41 H new ATOM 667 N ALA A 44 -2.035 -3.697 5.219 1.00 31.33 N ATOM 668 CA ALA A 44 -1.856 -2.437 4.509 1.00 42.11 C ATOM 669 C ALA A 44 -3.192 -1.737 4.288 1.00 13.34 C ATOM 670 O ALA A 44 -3.318 -0.533 4.510 1.00 42.04 O ATOM 671 CB ALA A 44 -1.157 -2.675 3.179 1.00 51.01 C ATOM 0 H ALA A 44 -1.611 -4.503 4.760 1.00 31.33 H new ATOM 0 HA ALA A 44 -1.232 -1.788 5.124 1.00 42.11 H new ATOM 0 HB1 ALA A 44 -1.030 -1.725 2.660 1.00 51.01 H new ATOM 0 HB2 ALA A 44 -0.180 -3.125 3.357 1.00 51.01 H new ATOM 0 HB3 ALA A 44 -1.759 -3.346 2.566 1.00 51.01 H new ATOM 677 N ALA A 45 -4.190 -2.499 3.850 1.00 24.10 N ATOM 678 CA ALA A 45 -5.517 -1.951 3.600 1.00 32.25 C ATOM 679 C ALA A 45 -6.260 -1.694 4.907 1.00 25.23 C ATOM 680 O ALA A 45 -7.177 -0.876 4.962 1.00 14.11 O ATOM 681 CB ALA A 45 -6.317 -2.893 2.712 1.00 53.30 C ATOM 0 H ALA A 45 -4.104 -3.498 3.661 1.00 24.10 H new ATOM 0 HA ALA A 45 -5.399 -0.997 3.086 1.00 32.25 H new ATOM 0 HB1 ALA A 45 -7.306 -2.472 2.533 1.00 53.30 H new ATOM 0 HB2 ALA A 45 -5.800 -3.023 1.761 1.00 53.30 H new ATOM 0 HB3 ALA A 45 -6.418 -3.860 3.205 1.00 53.30 H new ATOM 687 N LYS A 46 -5.857 -2.400 5.959 1.00 42.54 N ATOM 688 CA LYS A 46 -6.482 -2.248 7.267 1.00 33.14 C ATOM 689 C LYS A 46 -6.042 -0.948 7.934 1.00 32.01 C ATOM 690 O LYS A 46 -6.869 -0.181 8.429 1.00 60.44 O ATOM 691 CB LYS A 46 -6.132 -3.437 8.164 1.00 11.03 C ATOM 692 CG LYS A 46 -6.524 -3.239 9.618 1.00 34.31 C ATOM 693 CD LYS A 46 -7.269 -4.447 10.165 1.00 74.25 C ATOM 694 CE LYS A 46 -8.732 -4.434 9.749 1.00 71.43 C ATOM 695 NZ LYS A 46 -9.165 -5.750 9.204 1.00 32.10 N ATOM 0 H LYS A 46 -5.100 -3.083 5.930 1.00 42.54 H new ATOM 0 HA LYS A 46 -7.562 -2.214 7.123 1.00 33.14 H new ATOM 0 HB2 LYS A 46 -6.628 -4.329 7.781 1.00 11.03 H new ATOM 0 HB3 LYS A 46 -5.059 -3.620 8.108 1.00 11.03 H new ATOM 0 HG2 LYS A 46 -5.630 -3.060 10.216 1.00 34.31 H new ATOM 0 HG3 LYS A 46 -7.151 -2.352 9.709 1.00 34.31 H new ATOM 0 HD2 LYS A 46 -6.796 -5.361 9.806 1.00 74.25 H new ATOM 0 HD3 LYS A 46 -7.199 -4.457 11.253 1.00 74.25 H new ATOM 0 HE2 LYS A 46 -9.351 -4.175 10.608 1.00 71.43 H new ATOM 0 HE3 LYS A 46 -8.889 -3.660 8.998 1.00 71.43 H new ATOM 0 HZ1 LYS A 46 -10.168 -5.700 8.932 1.00 32.10 H new ATOM 0 HZ2 LYS A 46 -8.591 -5.986 8.369 1.00 32.10 H new ATOM 0 HZ3 LYS A 46 -9.039 -6.485 9.929 1.00 32.10 H new ATOM 709 N LYS A 47 -4.736 -0.706 7.943 1.00 71.32 N ATOM 710 CA LYS A 47 -4.185 0.501 8.546 1.00 12.41 C ATOM 711 C LYS A 47 -4.456 1.719 7.669 1.00 1.41 C ATOM 712 O LYS A 47 -4.968 2.735 8.141 1.00 24.45 O ATOM 713 CB LYS A 47 -2.679 0.344 8.768 1.00 71.34 C ATOM 714 CG LYS A 47 -2.323 -0.289 10.102 1.00 52.12 C ATOM 715 CD LYS A 47 -1.004 -1.038 10.030 1.00 34.31 C ATOM 716 CE LYS A 47 -0.949 -2.167 11.048 1.00 65.12 C ATOM 717 NZ LYS A 47 0.390 -2.266 11.693 1.00 53.31 N ATOM 0 H LYS A 47 -4.039 -1.331 7.539 1.00 71.32 H new ATOM 0 HA LYS A 47 -4.674 0.652 9.509 1.00 12.41 H new ATOM 0 HB2 LYS A 47 -2.263 -0.264 7.965 1.00 71.34 H new ATOM 0 HB3 LYS A 47 -2.207 1.324 8.703 1.00 71.34 H new ATOM 0 HG2 LYS A 47 -2.262 0.484 10.868 1.00 52.12 H new ATOM 0 HG3 LYS A 47 -3.115 -0.974 10.403 1.00 52.12 H new ATOM 0 HD2 LYS A 47 -0.869 -1.444 9.027 1.00 34.31 H new ATOM 0 HD3 LYS A 47 -0.181 -0.346 10.208 1.00 34.31 H new ATOM 0 HE2 LYS A 47 -1.709 -2.005 11.812 1.00 65.12 H new ATOM 0 HE3 LYS A 47 -1.187 -3.111 10.557 1.00 65.12 H new ATOM 0 HZ1 LYS A 47 0.387 -3.047 12.380 1.00 53.31 H new ATOM 0 HZ2 LYS A 47 1.113 -2.446 10.967 1.00 53.31 H new ATOM 0 HZ3 LYS A 47 0.606 -1.374 12.183 1.00 53.31 H new ATOM 731 N ALA A 48 -4.110 1.612 6.390 1.00 30.55 N ATOM 732 CA ALA A 48 -4.320 2.703 5.447 1.00 24.33 C ATOM 733 C ALA A 48 -5.765 3.188 5.481 1.00 74.01 C ATOM 734 O ALA A 48 -6.045 4.353 5.199 1.00 25.11 O ATOM 735 CB ALA A 48 -3.942 2.264 4.040 1.00 63.10 C ATOM 0 H ALA A 48 -3.683 0.780 5.983 1.00 30.55 H new ATOM 0 HA ALA A 48 -3.679 3.534 5.742 1.00 24.33 H new ATOM 0 HB1 ALA A 48 -4.104 3.089 3.346 1.00 63.10 H new ATOM 0 HB2 ALA A 48 -2.892 1.973 4.019 1.00 63.10 H new ATOM 0 HB3 ALA A 48 -4.559 1.415 3.745 1.00 63.10 H new ATOM 741 N GLU A 49 -6.679 2.287 5.827 1.00 72.03 N ATOM 742 CA GLU A 49 -8.096 2.624 5.896 1.00 72.23 C ATOM 743 C GLU A 49 -8.408 3.406 7.169 1.00 52.14 C ATOM 744 O GLU A 49 -9.245 4.309 7.165 1.00 41.23 O ATOM 745 CB GLU A 49 -8.949 1.355 5.843 1.00 70.12 C ATOM 746 CG GLU A 49 -10.438 1.616 5.996 1.00 73.52 C ATOM 747 CD GLU A 49 -11.050 0.842 7.147 1.00 0.14 C ATOM 748 OE1 GLU A 49 -10.944 -0.403 7.149 1.00 44.32 O ATOM 749 OE2 GLU A 49 -11.635 1.480 8.047 1.00 54.31 O ATOM 0 H GLU A 49 -6.464 1.319 6.064 1.00 72.03 H new ATOM 0 HA GLU A 49 -8.336 3.250 5.037 1.00 72.23 H new ATOM 0 HB2 GLU A 49 -8.773 0.848 4.894 1.00 70.12 H new ATOM 0 HB3 GLU A 49 -8.625 0.676 6.632 1.00 70.12 H new ATOM 0 HG2 GLU A 49 -10.602 2.682 6.152 1.00 73.52 H new ATOM 0 HG3 GLU A 49 -10.947 1.347 5.071 1.00 73.52 H new ATOM 757 N GLU A 50 -7.729 3.053 8.255 1.00 62.13 N ATOM 758 CA GLU A 50 -7.934 3.721 9.535 1.00 72.04 C ATOM 759 C GLU A 50 -7.286 5.103 9.538 1.00 20.12 C ATOM 760 O GLU A 50 -7.933 6.104 9.849 1.00 22.42 O ATOM 761 CB GLU A 50 -7.362 2.875 10.674 1.00 22.03 C ATOM 762 CG GLU A 50 -8.416 2.364 11.642 1.00 50.31 C ATOM 763 CD GLU A 50 -7.817 1.608 12.812 1.00 31.43 C ATOM 764 OE1 GLU A 50 -8.106 0.400 12.946 1.00 3.35 O ATOM 765 OE2 GLU A 50 -7.062 2.223 13.592 1.00 4.13 O ATOM 0 H GLU A 50 -7.032 2.308 8.275 1.00 62.13 H new ATOM 0 HA GLU A 50 -9.007 3.842 9.685 1.00 72.04 H new ATOM 0 HB2 GLU A 50 -6.827 2.025 10.251 1.00 22.03 H new ATOM 0 HB3 GLU A 50 -6.632 3.468 11.225 1.00 22.03 H new ATOM 0 HG2 GLU A 50 -8.997 3.206 12.018 1.00 50.31 H new ATOM 0 HG3 GLU A 50 -9.108 1.712 11.109 1.00 50.31 H new ATOM 773 N LEU A 51 -6.005 5.149 9.189 1.00 2.30 N ATOM 774 CA LEU A 51 -5.267 6.408 9.152 1.00 14.14 C ATOM 775 C LEU A 51 -5.880 7.367 8.137 1.00 21.11 C ATOM 776 O LEU A 51 -5.654 8.576 8.195 1.00 71.10 O ATOM 777 CB LEU A 51 -3.799 6.151 8.808 1.00 14.02 C ATOM 778 CG LEU A 51 -3.535 5.463 7.469 1.00 42.35 C ATOM 779 CD1 LEU A 51 -3.516 6.483 6.339 1.00 32.13 C ATOM 780 CD2 LEU A 51 -2.224 4.693 7.515 1.00 24.23 C ATOM 0 H LEU A 51 -5.456 4.330 8.928 1.00 2.30 H new ATOM 0 HA LEU A 51 -5.327 6.866 10.139 1.00 14.14 H new ATOM 0 HB2 LEU A 51 -3.273 7.106 8.813 1.00 14.02 H new ATOM 0 HB3 LEU A 51 -3.362 5.542 9.599 1.00 14.02 H new ATOM 0 HG LEU A 51 -4.343 4.756 7.280 1.00 42.35 H new ATOM 0 HD11 LEU A 51 -3.327 5.975 5.393 1.00 32.13 H new ATOM 0 HD12 LEU A 51 -4.479 6.991 6.291 1.00 32.13 H new ATOM 0 HD13 LEU A 51 -2.729 7.214 6.522 1.00 32.13 H new ATOM 0 HD21 LEU A 51 -2.052 4.209 6.553 1.00 24.23 H new ATOM 0 HD22 LEU A 51 -1.405 5.381 7.727 1.00 24.23 H new ATOM 0 HD23 LEU A 51 -2.274 3.936 8.298 1.00 24.23 H new ATOM 792 N PHE A 52 -6.658 6.820 7.208 1.00 45.14 N ATOM 793 CA PHE A 52 -7.304 7.628 6.180 1.00 63.24 C ATOM 794 C PHE A 52 -8.081 8.783 6.805 1.00 52.25 C ATOM 795 O PHE A 52 -8.330 9.802 6.158 1.00 62.41 O ATOM 796 CB PHE A 52 -8.244 6.763 5.338 1.00 34.04 C ATOM 797 CG PHE A 52 -9.053 7.548 4.345 1.00 61.42 C ATOM 798 CD1 PHE A 52 -8.445 8.478 3.518 1.00 40.10 C ATOM 799 CD2 PHE A 52 -10.421 7.356 4.239 1.00 72.00 C ATOM 800 CE1 PHE A 52 -9.186 9.202 2.603 1.00 54.35 C ATOM 801 CE2 PHE A 52 -11.167 8.076 3.326 1.00 13.22 C ATOM 802 CZ PHE A 52 -10.549 9.002 2.507 1.00 32.21 C ATOM 0 H PHE A 52 -6.856 5.821 7.146 1.00 45.14 H new ATOM 0 HA PHE A 52 -6.528 8.042 5.536 1.00 63.24 H new ATOM 0 HB2 PHE A 52 -7.657 6.015 4.806 1.00 34.04 H new ATOM 0 HB3 PHE A 52 -8.921 6.224 6.001 1.00 34.04 H new ATOM 0 HD1 PHE A 52 -7.379 8.639 3.589 1.00 40.10 H new ATOM 0 HD2 PHE A 52 -10.910 6.635 4.878 1.00 72.00 H new ATOM 0 HE1 PHE A 52 -8.699 9.924 1.964 1.00 54.35 H new ATOM 0 HE2 PHE A 52 -12.232 7.915 3.252 1.00 13.22 H new ATOM 0 HZ PHE A 52 -11.130 9.568 1.794 1.00 32.21 H new ATOM 812 N LYS A 53 -8.462 8.619 8.067 1.00 63.24 N ATOM 813 CA LYS A 53 -9.210 9.647 8.781 1.00 23.24 C ATOM 814 C LYS A 53 -8.498 10.993 8.701 1.00 21.30 C ATOM 815 O LYS A 53 -9.134 12.034 8.533 1.00 72.21 O ATOM 816 CB LYS A 53 -9.398 9.243 10.246 1.00 42.43 C ATOM 817 CG LYS A 53 -8.093 8.996 10.981 1.00 44.23 C ATOM 818 CD LYS A 53 -8.334 8.551 12.413 1.00 35.33 C ATOM 819 CE LYS A 53 -9.126 7.253 12.467 1.00 11.33 C ATOM 820 NZ LYS A 53 -10.431 7.428 13.163 1.00 62.24 N ATOM 0 H LYS A 53 -8.265 7.783 8.617 1.00 63.24 H new ATOM 0 HA LYS A 53 -10.187 9.745 8.308 1.00 23.24 H new ATOM 0 HB2 LYS A 53 -9.953 10.027 10.762 1.00 42.43 H new ATOM 0 HB3 LYS A 53 -10.006 8.340 10.290 1.00 42.43 H new ATOM 0 HG2 LYS A 53 -7.517 8.235 10.455 1.00 44.23 H new ATOM 0 HG3 LYS A 53 -7.495 9.907 10.978 1.00 44.23 H new ATOM 0 HD2 LYS A 53 -7.378 8.417 12.919 1.00 35.33 H new ATOM 0 HD3 LYS A 53 -8.873 9.330 12.952 1.00 35.33 H new ATOM 0 HE2 LYS A 53 -9.301 6.892 11.454 1.00 11.33 H new ATOM 0 HE3 LYS A 53 -8.540 6.491 12.981 1.00 11.33 H new ATOM 0 HZ1 LYS A 53 -10.940 6.521 13.179 1.00 62.24 H new ATOM 0 HZ2 LYS A 53 -10.264 7.748 14.138 1.00 62.24 H new ATOM 0 HZ3 LYS A 53 -11.001 8.137 12.659 1.00 62.24 H new ATOM 834 N LEU A 54 -7.175 10.965 8.818 1.00 11.44 N ATOM 835 CA LEU A 54 -6.376 12.184 8.758 1.00 44.34 C ATOM 836 C LEU A 54 -6.650 12.950 7.467 1.00 3.32 C ATOM 837 O LEU A 54 -6.413 14.155 7.388 1.00 72.12 O ATOM 838 CB LEU A 54 -4.887 11.847 8.859 1.00 53.02 C ATOM 839 CG LEU A 54 -4.051 12.762 9.753 1.00 15.22 C ATOM 840 CD1 LEU A 54 -4.584 12.749 11.177 1.00 13.33 C ATOM 841 CD2 LEU A 54 -2.588 12.344 9.726 1.00 61.31 C ATOM 0 H LEU A 54 -6.633 10.112 8.955 1.00 11.44 H new ATOM 0 HA LEU A 54 -6.656 12.816 9.601 1.00 44.34 H new ATOM 0 HB2 LEU A 54 -4.790 10.826 9.227 1.00 53.02 H new ATOM 0 HB3 LEU A 54 -4.462 11.866 7.855 1.00 53.02 H new ATOM 0 HG LEU A 54 -4.125 13.779 9.368 1.00 15.22 H new ATOM 0 HD11 LEU A 54 -3.976 13.406 11.799 1.00 13.33 H new ATOM 0 HD12 LEU A 54 -5.617 13.097 11.182 1.00 13.33 H new ATOM 0 HD13 LEU A 54 -4.542 11.734 11.572 1.00 13.33 H new ATOM 0 HD21 LEU A 54 -2.008 13.007 10.368 1.00 61.31 H new ATOM 0 HD22 LEU A 54 -2.496 11.319 10.085 1.00 61.31 H new ATOM 0 HD23 LEU A 54 -2.211 12.406 8.705 1.00 61.31 H new ATOM 853 N ALA A 55 -7.150 12.243 6.459 1.00 2.34 N ATOM 854 CA ALA A 55 -7.460 12.857 5.175 1.00 65.24 C ATOM 855 C ALA A 55 -8.633 13.823 5.296 1.00 13.12 C ATOM 856 O ALA A 55 -8.770 14.749 4.498 1.00 15.21 O ATOM 857 CB ALA A 55 -7.761 11.785 4.137 1.00 55.33 C ATOM 0 H ALA A 55 -7.349 11.244 6.507 1.00 2.34 H new ATOM 0 HA ALA A 55 -6.588 13.426 4.852 1.00 65.24 H new ATOM 0 HB1 ALA A 55 -7.991 12.258 3.182 1.00 55.33 H new ATOM 0 HB2 ALA A 55 -6.892 11.137 4.021 1.00 55.33 H new ATOM 0 HB3 ALA A 55 -8.615 11.192 4.464 1.00 55.33 H new ATOM 863 N GLU A 56 -9.476 13.600 6.300 1.00 23.31 N ATOM 864 CA GLU A 56 -10.639 14.451 6.524 1.00 41.12 C ATOM 865 C GLU A 56 -10.228 15.775 7.162 1.00 51.32 C ATOM 866 O GLU A 56 -10.902 16.791 6.994 1.00 4.15 O ATOM 867 CB GLU A 56 -11.658 13.737 7.415 1.00 63.32 C ATOM 868 CG GLU A 56 -11.800 12.255 7.110 1.00 64.42 C ATOM 869 CD GLU A 56 -13.247 11.806 7.061 1.00 40.11 C ATOM 870 OE1 GLU A 56 -13.865 11.681 8.138 1.00 53.22 O ATOM 871 OE2 GLU A 56 -13.761 11.578 5.945 1.00 43.43 O ATOM 0 H GLU A 56 -9.375 12.838 6.970 1.00 23.31 H new ATOM 0 HA GLU A 56 -11.097 14.659 5.557 1.00 41.12 H new ATOM 0 HB2 GLU A 56 -11.364 13.858 8.458 1.00 63.32 H new ATOM 0 HB3 GLU A 56 -12.629 14.218 7.299 1.00 63.32 H new ATOM 0 HG2 GLU A 56 -11.323 12.037 6.154 1.00 64.42 H new ATOM 0 HG3 GLU A 56 -11.270 11.679 7.869 1.00 64.42 H new ATOM 879 N GLU A 57 -9.119 15.754 7.895 1.00 70.42 N ATOM 880 CA GLU A 57 -8.620 16.953 8.559 1.00 35.32 C ATOM 881 C GLU A 57 -8.249 18.025 7.539 1.00 50.30 C ATOM 882 O GLU A 57 -8.658 19.180 7.661 1.00 14.32 O ATOM 883 CB GLU A 57 -7.405 16.614 9.424 1.00 13.14 C ATOM 884 CG GLU A 57 -7.685 15.556 10.479 1.00 22.52 C ATOM 885 CD GLU A 57 -8.014 16.154 11.833 1.00 21.45 C ATOM 886 OE1 GLU A 57 -9.122 16.711 11.981 1.00 42.12 O ATOM 887 OE2 GLU A 57 -7.165 16.064 12.744 1.00 2.50 O ATOM 0 H GLU A 57 -8.550 14.921 8.044 1.00 70.42 H new ATOM 0 HA GLU A 57 -9.414 17.342 9.196 1.00 35.32 H new ATOM 0 HB2 GLU A 57 -6.596 16.268 8.780 1.00 13.14 H new ATOM 0 HB3 GLU A 57 -7.055 17.522 9.916 1.00 13.14 H new ATOM 0 HG2 GLU A 57 -8.516 14.932 10.150 1.00 22.52 H new ATOM 0 HG3 GLU A 57 -6.816 14.905 10.575 1.00 22.52 H new ATOM 895 N ARG A 58 -7.472 17.635 6.535 1.00 21.31 N ATOM 896 CA ARG A 58 -7.043 18.563 5.495 1.00 21.54 C ATOM 897 C ARG A 58 -8.158 18.791 4.477 1.00 2.54 C ATOM 898 O ARG A 58 -8.142 19.772 3.734 1.00 73.03 O ATOM 899 CB ARG A 58 -5.795 18.029 4.789 1.00 52.15 C ATOM 900 CG ARG A 58 -5.867 16.547 4.462 1.00 74.45 C ATOM 901 CD ARG A 58 -4.855 15.748 5.267 1.00 41.00 C ATOM 902 NE ARG A 58 -4.778 16.202 6.653 1.00 43.30 N ATOM 903 CZ ARG A 58 -3.909 15.723 7.537 1.00 54.13 C ATOM 904 NH1 ARG A 58 -3.048 14.780 7.180 1.00 31.15 N ATOM 905 NH2 ARG A 58 -3.901 16.188 8.780 1.00 34.25 N ATOM 0 H ARG A 58 -7.126 16.682 6.419 1.00 21.31 H new ATOM 0 HA ARG A 58 -6.805 19.516 5.968 1.00 21.54 H new ATOM 0 HB2 ARG A 58 -5.642 18.589 3.866 1.00 52.15 H new ATOM 0 HB3 ARG A 58 -4.925 18.211 5.420 1.00 52.15 H new ATOM 0 HG2 ARG A 58 -6.871 16.176 4.668 1.00 74.45 H new ATOM 0 HG3 ARG A 58 -5.685 16.399 3.398 1.00 74.45 H new ATOM 0 HD2 ARG A 58 -5.127 14.693 5.246 1.00 41.00 H new ATOM 0 HD3 ARG A 58 -3.873 15.834 4.802 1.00 41.00 H new ATOM 0 HE ARG A 58 -5.427 16.927 6.959 1.00 43.30 H new ATOM 0 HH11 ARG A 58 -3.052 14.421 6.225 1.00 31.15 H new ATOM 0 HH12 ARG A 58 -2.382 14.414 7.860 1.00 31.15 H new ATOM 0 HH21 ARG A 58 -4.562 16.913 9.057 1.00 34.25 H new ATOM 0 HH22 ARG A 58 -3.234 15.820 9.458 1.00 34.25 H new ATOM 919 N LEU A 59 -9.123 17.878 4.451 1.00 42.44 N ATOM 920 CA LEU A 59 -10.246 17.981 3.525 1.00 32.22 C ATOM 921 C LEU A 59 -11.375 18.811 4.127 1.00 24.23 C ATOM 922 O LEU A 59 -11.552 19.979 3.783 1.00 13.24 O ATOM 923 CB LEU A 59 -10.761 16.586 3.161 1.00 23.03 C ATOM 924 CG LEU A 59 -12.025 16.540 2.303 1.00 10.34 C ATOM 925 CD1 LEU A 59 -11.865 17.414 1.069 1.00 70.25 C ATOM 926 CD2 LEU A 59 -12.348 15.107 1.906 1.00 64.25 C ATOM 0 H LEU A 59 -9.151 17.060 5.059 1.00 42.44 H new ATOM 0 HA LEU A 59 -9.896 18.480 2.622 1.00 32.22 H new ATOM 0 HB2 LEU A 59 -9.969 16.054 2.634 1.00 23.03 H new ATOM 0 HB3 LEU A 59 -10.953 16.039 4.084 1.00 23.03 H new ATOM 0 HG LEU A 59 -12.855 16.929 2.892 1.00 10.34 H new ATOM 0 HD11 LEU A 59 -12.775 17.369 0.470 1.00 70.25 H new ATOM 0 HD12 LEU A 59 -11.682 18.444 1.374 1.00 70.25 H new ATOM 0 HD13 LEU A 59 -11.023 17.056 0.477 1.00 70.25 H new ATOM 0 HD21 LEU A 59 -13.251 15.093 1.296 1.00 64.25 H new ATOM 0 HD22 LEU A 59 -11.518 14.692 1.335 1.00 64.25 H new ATOM 0 HD23 LEU A 59 -12.507 14.508 2.803 1.00 64.25 H new ATOM 938 N LYS A 60 -12.135 18.200 5.029 1.00 15.02 N ATOM 939 CA LYS A 60 -13.245 18.882 5.684 1.00 34.50 C ATOM 940 C LYS A 60 -12.855 19.336 7.086 1.00 51.41 C ATOM 941 O LYS A 60 -11.704 19.190 7.499 1.00 32.11 O ATOM 942 CB LYS A 60 -14.466 17.961 5.755 1.00 52.53 C ATOM 943 CG LYS A 60 -14.153 16.578 6.300 1.00 73.35 C ATOM 944 CD LYS A 60 -14.370 15.503 5.249 1.00 64.50 C ATOM 945 CE LYS A 60 -15.671 14.751 5.480 1.00 31.22 C ATOM 946 NZ LYS A 60 -16.484 14.655 4.236 1.00 15.43 N ATOM 0 H LYS A 60 -12.002 17.232 5.324 1.00 15.02 H new ATOM 0 HA LYS A 60 -13.496 19.763 5.094 1.00 34.50 H new ATOM 0 HB2 LYS A 60 -15.226 18.426 6.383 1.00 52.53 H new ATOM 0 HB3 LYS A 60 -14.894 17.861 4.758 1.00 52.53 H new ATOM 0 HG2 LYS A 60 -13.120 16.547 6.645 1.00 73.35 H new ATOM 0 HG3 LYS A 60 -14.784 16.375 7.165 1.00 73.35 H new ATOM 0 HD2 LYS A 60 -14.383 15.958 4.259 1.00 64.50 H new ATOM 0 HD3 LYS A 60 -13.535 14.802 5.267 1.00 64.50 H new ATOM 0 HE2 LYS A 60 -15.451 13.749 5.848 1.00 31.22 H new ATOM 0 HE3 LYS A 60 -16.250 15.255 6.254 1.00 31.22 H new ATOM 0 HZ1 LYS A 60 -17.363 14.136 4.435 1.00 15.43 H new ATOM 0 HZ2 LYS A 60 -16.716 15.611 3.898 1.00 15.43 H new ATOM 0 HZ3 LYS A 60 -15.942 14.151 3.505 1.00 15.43 H new ATOM 960 N LYS A 61 -13.820 19.886 7.815 1.00 22.31 N ATOM 961 CA LYS A 61 -13.578 20.359 9.173 1.00 3.23 C ATOM 962 C LYS A 61 -14.477 19.634 10.169 1.00 15.22 C ATOM 963 O LYS A 61 -15.391 20.229 10.744 1.00 63.14 O ATOM 964 CB LYS A 61 -13.816 21.869 9.259 1.00 23.55 C ATOM 965 CG LYS A 61 -15.148 22.308 8.678 1.00 74.45 C ATOM 966 CD LYS A 61 -14.958 23.210 7.470 1.00 74.13 C ATOM 967 CE LYS A 61 -14.860 24.673 7.877 1.00 61.23 C ATOM 968 NZ LYS A 61 -13.555 25.272 7.479 1.00 74.10 N ATOM 0 H LYS A 61 -14.777 20.015 7.488 1.00 22.31 H new ATOM 0 HA LYS A 61 -12.539 20.146 9.426 1.00 3.23 H new ATOM 0 HB2 LYS A 61 -13.765 22.178 10.303 1.00 23.55 H new ATOM 0 HB3 LYS A 61 -13.012 22.386 8.734 1.00 23.55 H new ATOM 0 HG2 LYS A 61 -15.728 21.431 8.391 1.00 74.45 H new ATOM 0 HG3 LYS A 61 -15.723 22.835 9.440 1.00 74.45 H new ATOM 0 HD2 LYS A 61 -14.054 22.919 6.935 1.00 74.13 H new ATOM 0 HD3 LYS A 61 -15.792 23.078 6.781 1.00 74.13 H new ATOM 0 HE2 LYS A 61 -15.673 25.234 7.416 1.00 61.23 H new ATOM 0 HE3 LYS A 61 -14.985 24.759 8.956 1.00 61.23 H new ATOM 0 HZ1 LYS A 61 -13.526 26.269 7.773 1.00 74.10 H new ATOM 0 HZ2 LYS A 61 -12.780 24.753 7.939 1.00 74.10 H new ATOM 0 HZ3 LYS A 61 -13.446 25.213 6.446 1.00 74.10 H new ATOM 982 N LEU A 62 -14.213 18.348 10.372 1.00 43.31 N ATOM 983 CA LEU A 62 -14.997 17.543 11.301 1.00 24.55 C ATOM 984 C LEU A 62 -14.910 18.104 12.716 1.00 13.42 C ATOM 985 O LEU A 62 -15.497 17.527 13.631 1.00 52.04 O ATOM 986 CB LEU A 62 -14.511 16.092 11.285 1.00 52.33 C ATOM 987 CG LEU A 62 -14.668 15.346 9.960 1.00 71.04 C ATOM 988 CD1 LEU A 62 -14.233 13.897 10.108 1.00 40.04 C ATOM 989 CD2 LEU A 62 -16.107 15.426 9.470 1.00 53.31 C ATOM 0 H LEU A 62 -13.461 17.840 9.905 1.00 43.31 H new ATOM 0 HA LEU A 62 -16.038 17.575 10.981 1.00 24.55 H new ATOM 0 HB2 LEU A 62 -13.457 16.080 11.563 1.00 52.33 H new ATOM 0 HB3 LEU A 62 -15.050 15.541 12.055 1.00 52.33 H new ATOM 0 HG LEU A 62 -14.026 15.822 9.219 1.00 71.04 H new ATOM 0 HD11 LEU A 62 -14.352 13.382 9.155 1.00 40.04 H new ATOM 0 HD12 LEU A 62 -13.187 13.860 10.412 1.00 40.04 H new ATOM 0 HD13 LEU A 62 -14.848 13.408 10.864 1.00 40.04 H new ATOM 0 HD21 LEU A 62 -16.200 14.890 8.526 1.00 53.31 H new ATOM 0 HD22 LEU A 62 -16.769 14.976 10.210 1.00 53.31 H new ATOM 0 HD23 LEU A 62 -16.384 16.470 9.323 1.00 53.31 H new TER 1001 LEU A 62 ATOM 1002 N MET B 1 12.815 -23.156 -12.928 1.00 1.11 N ATOM 1003 CA MET B 1 11.765 -23.619 -12.029 1.00 1.22 C ATOM 1004 C MET B 1 10.962 -22.444 -11.480 1.00 75.30 C ATOM 1005 O MET B 1 10.753 -22.332 -10.272 1.00 72.44 O ATOM 1006 CB MET B 1 12.370 -24.422 -10.874 1.00 62.33 C ATOM 1007 CG MET B 1 13.276 -25.553 -11.331 1.00 4.14 C ATOM 1008 SD MET B 1 15.010 -25.257 -10.931 1.00 21.54 S ATOM 1009 CE MET B 1 15.818 -26.320 -12.125 1.00 44.14 C ATOM 0 H1 MET B 1 12.817 -23.739 -13.789 1.00 1.11 H new ATOM 0 H2 MET B 1 12.641 -22.163 -13.183 1.00 1.11 H new ATOM 0 H3 MET B 1 13.737 -23.235 -12.454 1.00 1.11 H new ATOM 0 HA MET B 1 11.093 -24.262 -12.597 1.00 1.22 H new ATOM 0 HB2 MET B 1 12.938 -23.749 -10.232 1.00 62.33 H new ATOM 0 HB3 MET B 1 11.564 -24.835 -10.268 1.00 62.33 H new ATOM 0 HG2 MET B 1 12.953 -26.484 -10.864 1.00 4.14 H new ATOM 0 HG3 MET B 1 13.173 -25.684 -12.408 1.00 4.14 H new ATOM 0 HE1 MET B 1 16.899 -26.247 -12.004 1.00 44.14 H new ATOM 0 HE2 MET B 1 15.504 -27.351 -11.965 1.00 44.14 H new ATOM 0 HE3 MET B 1 15.544 -26.009 -13.133 1.00 44.14 H new ATOM 1019 N LYS B 2 10.514 -21.570 -12.376 1.00 33.45 N ATOM 1020 CA LYS B 2 9.732 -20.405 -11.982 1.00 61.03 C ATOM 1021 C LYS B 2 9.206 -19.663 -13.208 1.00 23.42 C ATOM 1022 O LYS B 2 9.839 -19.661 -14.264 1.00 3.43 O ATOM 1023 CB LYS B 2 10.581 -19.461 -11.128 1.00 43.23 C ATOM 1024 CG LYS B 2 11.264 -18.364 -11.928 1.00 21.44 C ATOM 1025 CD LYS B 2 10.397 -17.120 -12.021 1.00 31.31 C ATOM 1026 CE LYS B 2 10.397 -16.545 -13.430 1.00 25.02 C ATOM 1027 NZ LYS B 2 9.298 -15.560 -13.627 1.00 21.21 N ATOM 0 H LYS B 2 10.680 -21.647 -13.380 1.00 33.45 H new ATOM 0 HA LYS B 2 8.881 -20.751 -11.395 1.00 61.03 H new ATOM 0 HB2 LYS B 2 9.948 -19.004 -10.368 1.00 43.23 H new ATOM 0 HB3 LYS B 2 11.339 -20.042 -10.604 1.00 43.23 H new ATOM 0 HG2 LYS B 2 12.216 -18.111 -11.461 1.00 21.44 H new ATOM 0 HG3 LYS B 2 11.487 -18.729 -12.931 1.00 21.44 H new ATOM 0 HD2 LYS B 2 9.376 -17.364 -11.726 1.00 31.31 H new ATOM 0 HD3 LYS B 2 10.760 -16.369 -11.320 1.00 31.31 H new ATOM 0 HE2 LYS B 2 11.355 -16.064 -13.626 1.00 25.02 H new ATOM 0 HE3 LYS B 2 10.293 -17.354 -14.153 1.00 25.02 H new ATOM 0 HZ1 LYS B 2 8.962 -15.607 -14.610 1.00 21.21 H new ATOM 0 HZ2 LYS B 2 8.513 -15.782 -12.982 1.00 21.21 H new ATOM 0 HZ3 LYS B 2 9.650 -14.602 -13.427 1.00 21.21 H new ATOM 1041 N LYS B 3 8.045 -19.036 -13.060 1.00 43.25 N ATOM 1042 CA LYS B 3 7.435 -18.288 -14.154 1.00 15.21 C ATOM 1043 C LYS B 3 6.223 -17.502 -13.665 1.00 14.21 C ATOM 1044 O LYS B 3 6.107 -16.301 -13.914 1.00 53.20 O ATOM 1045 CB LYS B 3 7.020 -19.238 -15.279 1.00 72.32 C ATOM 1046 CG LYS B 3 7.983 -19.246 -16.454 1.00 32.41 C ATOM 1047 CD LYS B 3 7.266 -19.542 -17.760 1.00 74.10 C ATOM 1048 CE LYS B 3 8.249 -19.867 -18.875 1.00 15.40 C ATOM 1049 NZ LYS B 3 8.722 -21.276 -18.804 1.00 20.13 N ATOM 0 H LYS B 3 7.507 -19.030 -12.194 1.00 43.25 H new ATOM 0 HA LYS B 3 8.174 -17.583 -14.536 1.00 15.21 H new ATOM 0 HB2 LYS B 3 6.940 -20.249 -14.879 1.00 72.32 H new ATOM 0 HB3 LYS B 3 6.029 -18.956 -15.634 1.00 72.32 H new ATOM 0 HG2 LYS B 3 8.482 -18.280 -16.523 1.00 32.41 H new ATOM 0 HG3 LYS B 3 8.758 -19.994 -16.286 1.00 32.41 H new ATOM 0 HD2 LYS B 3 6.583 -20.380 -17.620 1.00 74.10 H new ATOM 0 HD3 LYS B 3 6.660 -18.682 -18.047 1.00 74.10 H new ATOM 0 HE2 LYS B 3 7.774 -19.692 -19.840 1.00 15.40 H new ATOM 0 HE3 LYS B 3 9.104 -19.193 -18.813 1.00 15.40 H new ATOM 0 HZ1 LYS B 3 9.390 -21.458 -19.580 1.00 20.13 H new ATOM 0 HZ2 LYS B 3 9.198 -21.437 -17.893 1.00 20.13 H new ATOM 0 HZ3 LYS B 3 7.909 -21.920 -18.889 1.00 20.13 H new ATOM 1063 N LEU B 4 5.322 -18.185 -12.968 1.00 13.23 N ATOM 1064 CA LEU B 4 4.118 -17.550 -12.443 1.00 2.24 C ATOM 1065 C LEU B 4 4.327 -17.094 -11.002 1.00 65.20 C ATOM 1066 O LEU B 4 3.640 -16.193 -10.520 1.00 12.34 O ATOM 1067 CB LEU B 4 2.934 -18.516 -12.517 1.00 43.43 C ATOM 1068 CG LEU B 4 2.274 -18.665 -13.888 1.00 11.51 C ATOM 1069 CD1 LEU B 4 1.780 -17.318 -14.391 1.00 53.34 C ATOM 1070 CD2 LEU B 4 3.246 -19.284 -14.883 1.00 14.25 C ATOM 0 H LEU B 4 5.402 -19.179 -12.753 1.00 13.23 H new ATOM 0 HA LEU B 4 3.903 -16.674 -13.055 1.00 2.24 H new ATOM 0 HB2 LEU B 4 3.272 -19.499 -12.190 1.00 43.43 H new ATOM 0 HB3 LEU B 4 2.177 -18.186 -11.805 1.00 43.43 H new ATOM 0 HG LEU B 4 1.416 -19.329 -13.787 1.00 11.51 H new ATOM 0 HD11 LEU B 4 1.313 -17.443 -15.368 1.00 53.34 H new ATOM 0 HD12 LEU B 4 1.051 -16.913 -13.690 1.00 53.34 H new ATOM 0 HD13 LEU B 4 2.622 -16.631 -14.477 1.00 53.34 H new ATOM 0 HD21 LEU B 4 2.760 -19.383 -15.853 1.00 14.25 H new ATOM 0 HD22 LEU B 4 4.123 -18.645 -14.980 1.00 14.25 H new ATOM 0 HD23 LEU B 4 3.552 -20.268 -14.529 1.00 14.25 H new ATOM 1082 N ARG B 5 5.282 -17.720 -10.321 1.00 31.30 N ATOM 1083 CA ARG B 5 5.583 -17.378 -8.936 1.00 71.43 C ATOM 1084 C ARG B 5 6.134 -15.959 -8.834 1.00 64.43 C ATOM 1085 O ARG B 5 5.791 -15.214 -7.917 1.00 54.11 O ATOM 1086 CB ARG B 5 6.587 -18.371 -8.351 1.00 4.44 C ATOM 1087 CG ARG B 5 6.196 -19.826 -8.553 1.00 63.14 C ATOM 1088 CD ARG B 5 7.343 -20.764 -8.212 1.00 31.12 C ATOM 1089 NE ARG B 5 7.053 -21.575 -7.033 1.00 24.14 N ATOM 1090 CZ ARG B 5 7.680 -22.712 -6.751 1.00 61.23 C ATOM 1091 NH1 ARG B 5 8.627 -23.169 -7.560 1.00 12.34 N ATOM 1092 NH2 ARG B 5 7.361 -23.394 -5.660 1.00 14.45 N ATOM 0 H ARG B 5 5.860 -18.467 -10.706 1.00 31.30 H new ATOM 0 HA ARG B 5 4.656 -17.430 -8.365 1.00 71.43 H new ATOM 0 HB2 ARG B 5 7.562 -18.199 -8.807 1.00 4.44 H new ATOM 0 HB3 ARG B 5 6.696 -18.178 -7.284 1.00 4.44 H new ATOM 0 HG2 ARG B 5 5.334 -20.062 -7.929 1.00 63.14 H new ATOM 0 HG3 ARG B 5 5.893 -19.982 -9.588 1.00 63.14 H new ATOM 0 HD2 ARG B 5 7.542 -21.417 -9.062 1.00 31.12 H new ATOM 0 HD3 ARG B 5 8.248 -20.182 -8.038 1.00 31.12 H new ATOM 0 HE ARG B 5 6.330 -21.251 -6.391 1.00 24.14 H new ATOM 0 HH11 ARG B 5 8.875 -22.647 -8.401 1.00 12.34 H new ATOM 0 HH12 ARG B 5 9.107 -24.042 -7.341 1.00 12.34 H new ATOM 0 HH21 ARG B 5 6.633 -23.046 -5.036 1.00 14.45 H new ATOM 0 HH22 ARG B 5 7.843 -24.267 -5.445 1.00 14.45 H new ATOM 1106 N GLU B 6 6.992 -15.594 -9.783 1.00 52.10 N ATOM 1107 CA GLU B 6 7.592 -14.264 -9.797 1.00 64.53 C ATOM 1108 C GLU B 6 6.517 -13.182 -9.822 1.00 31.24 C ATOM 1109 O GLU B 6 6.696 -12.103 -9.260 1.00 11.42 O ATOM 1110 CB GLU B 6 8.513 -14.110 -11.010 1.00 1.13 C ATOM 1111 CG GLU B 6 9.570 -13.033 -10.838 1.00 2.32 C ATOM 1112 CD GLU B 6 10.850 -13.346 -11.587 1.00 65.24 C ATOM 1113 OE1 GLU B 6 11.102 -12.699 -12.626 1.00 14.31 O ATOM 1114 OE2 GLU B 6 11.600 -14.237 -11.138 1.00 14.45 O ATOM 0 H GLU B 6 7.286 -16.199 -10.550 1.00 52.10 H new ATOM 0 HA GLU B 6 8.178 -14.148 -8.886 1.00 64.53 H new ATOM 0 HB2 GLU B 6 9.005 -15.063 -11.205 1.00 1.13 H new ATOM 0 HB3 GLU B 6 7.909 -13.878 -11.887 1.00 1.13 H new ATOM 0 HG2 GLU B 6 9.173 -12.080 -11.188 1.00 2.32 H new ATOM 0 HG3 GLU B 6 9.794 -12.915 -9.778 1.00 2.32 H new ATOM 1122 N GLU B 7 5.400 -13.480 -10.478 1.00 74.43 N ATOM 1123 CA GLU B 7 4.296 -12.532 -10.577 1.00 25.32 C ATOM 1124 C GLU B 7 3.867 -12.051 -9.194 1.00 34.10 C ATOM 1125 O GLU B 7 3.657 -10.858 -8.979 1.00 11.13 O ATOM 1126 CB GLU B 7 3.108 -13.173 -11.298 1.00 52.05 C ATOM 1127 CG GLU B 7 3.406 -13.561 -12.737 1.00 51.30 C ATOM 1128 CD GLU B 7 2.545 -12.811 -13.734 1.00 54.34 C ATOM 1129 OE1 GLU B 7 1.368 -13.192 -13.905 1.00 54.42 O ATOM 1130 OE2 GLU B 7 3.048 -11.843 -14.344 1.00 22.32 O ATOM 0 H GLU B 7 5.236 -14.370 -10.949 1.00 74.43 H new ATOM 0 HA GLU B 7 4.639 -11.672 -11.151 1.00 25.32 H new ATOM 0 HB2 GLU B 7 2.796 -14.061 -10.748 1.00 52.05 H new ATOM 0 HB3 GLU B 7 2.268 -12.479 -11.284 1.00 52.05 H new ATOM 0 HG2 GLU B 7 4.457 -13.366 -12.952 1.00 51.30 H new ATOM 0 HG3 GLU B 7 3.249 -14.632 -12.860 1.00 51.30 H new ATOM 1138 N ALA B 8 3.738 -12.989 -8.261 1.00 70.22 N ATOM 1139 CA ALA B 8 3.335 -12.661 -6.900 1.00 24.14 C ATOM 1140 C ALA B 8 4.306 -11.671 -6.264 1.00 15.13 C ATOM 1141 O ALA B 8 3.931 -10.904 -5.377 1.00 43.53 O ATOM 1142 CB ALA B 8 3.242 -13.926 -6.058 1.00 71.33 C ATOM 0 H ALA B 8 3.907 -13.982 -8.423 1.00 70.22 H new ATOM 0 HA ALA B 8 2.352 -12.191 -6.941 1.00 24.14 H new ATOM 0 HB1 ALA B 8 2.940 -13.666 -5.043 1.00 71.33 H new ATOM 0 HB2 ALA B 8 2.505 -14.600 -6.495 1.00 71.33 H new ATOM 0 HB3 ALA B 8 4.214 -14.418 -6.032 1.00 71.33 H new ATOM 1148 N ALA B 9 5.552 -11.694 -6.722 1.00 0.12 N ATOM 1149 CA ALA B 9 6.575 -10.797 -6.198 1.00 25.24 C ATOM 1150 C ALA B 9 6.370 -9.375 -6.705 1.00 61.14 C ATOM 1151 O ALA B 9 6.497 -8.410 -5.951 1.00 32.34 O ATOM 1152 CB ALA B 9 7.961 -11.300 -6.575 1.00 62.31 C ATOM 0 H ALA B 9 5.878 -12.324 -7.455 1.00 0.12 H new ATOM 0 HA ALA B 9 6.489 -10.783 -5.112 1.00 25.24 H new ATOM 0 HB1 ALA B 9 8.715 -10.621 -6.177 1.00 62.31 H new ATOM 0 HB2 ALA B 9 8.113 -12.295 -6.158 1.00 62.31 H new ATOM 0 HB3 ALA B 9 8.049 -11.345 -7.661 1.00 62.31 H new ATOM 1158 N LYS B 10 6.052 -9.249 -7.990 1.00 65.42 N ATOM 1159 CA LYS B 10 5.829 -7.944 -8.600 1.00 75.31 C ATOM 1160 C LYS B 10 4.676 -7.215 -7.917 1.00 5.02 C ATOM 1161 O LYS B 10 4.677 -5.987 -7.819 1.00 3.01 O ATOM 1162 CB LYS B 10 5.533 -8.101 -10.093 1.00 44.33 C ATOM 1163 CG LYS B 10 6.517 -9.004 -10.817 1.00 34.21 C ATOM 1164 CD LYS B 10 6.877 -8.454 -12.186 1.00 75.33 C ATOM 1165 CE LYS B 10 7.811 -7.260 -12.080 1.00 51.52 C ATOM 1166 NZ LYS B 10 8.500 -6.977 -13.369 1.00 10.03 N ATOM 0 H LYS B 10 5.943 -10.036 -8.629 1.00 65.42 H new ATOM 0 HA LYS B 10 6.736 -7.352 -8.475 1.00 75.31 H new ATOM 0 HB2 LYS B 10 4.527 -8.502 -10.215 1.00 44.33 H new ATOM 0 HB3 LYS B 10 5.543 -7.117 -10.562 1.00 44.33 H new ATOM 0 HG2 LYS B 10 7.421 -9.112 -10.218 1.00 34.21 H new ATOM 0 HG3 LYS B 10 6.086 -9.999 -10.926 1.00 34.21 H new ATOM 0 HD2 LYS B 10 7.350 -9.236 -12.780 1.00 75.33 H new ATOM 0 HD3 LYS B 10 5.968 -8.161 -12.712 1.00 75.33 H new ATOM 0 HE2 LYS B 10 7.244 -6.382 -11.771 1.00 51.52 H new ATOM 0 HE3 LYS B 10 8.554 -7.448 -11.305 1.00 51.52 H new ATOM 0 HZ1 LYS B 10 9.128 -6.156 -13.254 1.00 10.03 H new ATOM 0 HZ2 LYS B 10 9.062 -7.805 -13.651 1.00 10.03 H new ATOM 0 HZ3 LYS B 10 7.792 -6.772 -14.103 1.00 10.03 H new ATOM 1180 N LEU B 11 3.697 -7.977 -7.444 1.00 62.13 N ATOM 1181 CA LEU B 11 2.539 -7.404 -6.768 1.00 54.35 C ATOM 1182 C LEU B 11 2.973 -6.461 -5.650 1.00 52.12 C ATOM 1183 O LEU B 11 2.426 -5.368 -5.498 1.00 31.45 O ATOM 1184 CB LEU B 11 1.653 -8.513 -6.200 1.00 34.12 C ATOM 1185 CG LEU B 11 1.128 -9.535 -7.208 1.00 35.40 C ATOM 1186 CD1 LEU B 11 0.228 -10.550 -6.521 1.00 11.12 C ATOM 1187 CD2 LEU B 11 0.382 -8.837 -8.336 1.00 10.22 C ATOM 0 H LEU B 11 3.682 -8.994 -7.516 1.00 62.13 H new ATOM 0 HA LEU B 11 1.969 -6.832 -7.500 1.00 54.35 H new ATOM 0 HB2 LEU B 11 2.217 -9.045 -5.434 1.00 34.12 H new ATOM 0 HB3 LEU B 11 0.800 -8.051 -5.704 1.00 34.12 H new ATOM 0 HG LEU B 11 1.979 -10.065 -7.635 1.00 35.40 H new ATOM 0 HD11 LEU B 11 -0.136 -11.269 -7.255 1.00 11.12 H new ATOM 0 HD12 LEU B 11 0.793 -11.073 -5.749 1.00 11.12 H new ATOM 0 HD13 LEU B 11 -0.619 -10.036 -6.066 1.00 11.12 H new ATOM 0 HD21 LEU B 11 0.015 -9.580 -9.044 1.00 10.22 H new ATOM 0 HD22 LEU B 11 -0.460 -8.280 -7.925 1.00 10.22 H new ATOM 0 HD23 LEU B 11 1.056 -8.150 -8.848 1.00 10.22 H new ATOM 1199 N PHE B 12 3.961 -6.890 -4.871 1.00 21.41 N ATOM 1200 CA PHE B 12 4.469 -6.084 -3.768 1.00 41.02 C ATOM 1201 C PHE B 12 5.317 -4.926 -4.286 1.00 63.21 C ATOM 1202 O PHE B 12 5.444 -3.894 -3.628 1.00 73.11 O ATOM 1203 CB PHE B 12 5.296 -6.950 -2.815 1.00 21.13 C ATOM 1204 CG PHE B 12 4.488 -7.995 -2.101 1.00 34.43 C ATOM 1205 CD1 PHE B 12 3.265 -7.676 -1.534 1.00 14.31 C ATOM 1206 CD2 PHE B 12 4.951 -9.297 -1.996 1.00 72.14 C ATOM 1207 CE1 PHE B 12 2.518 -8.636 -0.876 1.00 53.42 C ATOM 1208 CE2 PHE B 12 4.208 -10.261 -1.341 1.00 53.33 C ATOM 1209 CZ PHE B 12 2.991 -9.929 -0.779 1.00 1.12 C ATOM 0 H PHE B 12 4.425 -7.791 -4.984 1.00 21.41 H new ATOM 0 HA PHE B 12 3.616 -5.673 -3.228 1.00 41.02 H new ATOM 0 HB2 PHE B 12 6.091 -7.439 -3.378 1.00 21.13 H new ATOM 0 HB3 PHE B 12 5.777 -6.307 -2.078 1.00 21.13 H new ATOM 0 HD1 PHE B 12 2.890 -6.666 -1.607 1.00 14.31 H new ATOM 0 HD2 PHE B 12 5.903 -9.561 -2.431 1.00 72.14 H new ATOM 0 HE1 PHE B 12 1.566 -8.374 -0.439 1.00 53.42 H new ATOM 0 HE2 PHE B 12 4.579 -11.273 -1.269 1.00 53.33 H new ATOM 0 HZ PHE B 12 2.410 -10.680 -0.264 1.00 1.12 H new ATOM 1219 N GLU B 13 5.897 -5.107 -5.469 1.00 34.44 N ATOM 1220 CA GLU B 13 6.734 -4.078 -6.074 1.00 22.44 C ATOM 1221 C GLU B 13 5.945 -2.789 -6.284 1.00 24.24 C ATOM 1222 O GLU B 13 6.486 -1.691 -6.155 1.00 73.52 O ATOM 1223 CB GLU B 13 7.296 -4.569 -7.410 1.00 42.15 C ATOM 1224 CG GLU B 13 8.788 -4.323 -7.569 1.00 60.53 C ATOM 1225 CD GLU B 13 9.227 -4.327 -9.021 1.00 4.51 C ATOM 1226 OE1 GLU B 13 9.355 -3.230 -9.605 1.00 12.25 O ATOM 1227 OE2 GLU B 13 9.444 -5.426 -9.573 1.00 11.42 O ATOM 0 H GLU B 13 5.802 -5.956 -6.026 1.00 34.44 H new ATOM 0 HA GLU B 13 7.560 -3.870 -5.394 1.00 22.44 H new ATOM 0 HB2 GLU B 13 7.100 -5.637 -7.507 1.00 42.15 H new ATOM 0 HB3 GLU B 13 6.766 -4.072 -8.222 1.00 42.15 H new ATOM 0 HG2 GLU B 13 9.045 -3.364 -7.118 1.00 60.53 H new ATOM 0 HG3 GLU B 13 9.339 -5.089 -7.024 1.00 60.53 H new ATOM 1235 N GLU B 14 4.664 -2.933 -6.609 1.00 42.43 N ATOM 1236 CA GLU B 14 3.802 -1.779 -6.838 1.00 51.21 C ATOM 1237 C GLU B 14 3.424 -1.111 -5.518 1.00 44.14 C ATOM 1238 O GLU B 14 3.206 0.099 -5.464 1.00 53.43 O ATOM 1239 CB GLU B 14 2.537 -2.202 -7.588 1.00 54.24 C ATOM 1240 CG GLU B 14 2.815 -3.011 -8.843 1.00 51.32 C ATOM 1241 CD GLU B 14 1.921 -2.616 -10.002 1.00 61.01 C ATOM 1242 OE1 GLU B 14 2.445 -2.442 -11.123 1.00 60.01 O ATOM 1243 OE2 GLU B 14 0.698 -2.480 -9.790 1.00 41.00 O ATOM 0 H GLU B 14 4.201 -3.835 -6.719 1.00 42.43 H new ATOM 0 HA GLU B 14 4.353 -1.060 -7.444 1.00 51.21 H new ATOM 0 HB2 GLU B 14 1.908 -2.789 -6.919 1.00 54.24 H new ATOM 0 HB3 GLU B 14 1.970 -1.311 -7.858 1.00 54.24 H new ATOM 0 HG2 GLU B 14 3.858 -2.879 -9.132 1.00 51.32 H new ATOM 0 HG3 GLU B 14 2.676 -4.070 -8.626 1.00 51.32 H new ATOM 1251 N TRP B 15 3.350 -1.908 -4.460 1.00 4.44 N ATOM 1252 CA TRP B 15 2.998 -1.394 -3.140 1.00 5.33 C ATOM 1253 C TRP B 15 4.025 -0.372 -2.662 1.00 34.41 C ATOM 1254 O TRP B 15 3.670 0.729 -2.244 1.00 51.44 O ATOM 1255 CB TRP B 15 2.898 -2.542 -2.134 1.00 33.24 C ATOM 1256 CG TRP B 15 1.666 -3.379 -2.309 1.00 41.54 C ATOM 1257 CD1 TRP B 15 1.079 -3.736 -3.488 1.00 70.33 C ATOM 1258 CD2 TRP B 15 0.870 -3.959 -1.270 1.00 32.32 C ATOM 1259 NE1 TRP B 15 -0.034 -4.504 -3.246 1.00 71.43 N ATOM 1260 CE2 TRP B 15 -0.183 -4.657 -1.893 1.00 52.12 C ATOM 1261 CE3 TRP B 15 0.946 -3.960 0.126 1.00 55.14 C ATOM 1262 CZ2 TRP B 15 -1.152 -5.344 -1.167 1.00 32.51 C ATOM 1263 CZ3 TRP B 15 -0.016 -4.643 0.844 1.00 14.42 C ATOM 1264 CH2 TRP B 15 -1.053 -5.329 0.198 1.00 73.15 C ATOM 0 H TRP B 15 3.529 -2.912 -4.488 1.00 4.44 H new ATOM 0 HA TRP B 15 2.029 -0.900 -3.216 1.00 5.33 H new ATOM 0 HB2 TRP B 15 3.778 -3.178 -2.231 1.00 33.24 H new ATOM 0 HB3 TRP B 15 2.910 -2.133 -1.124 1.00 33.24 H new ATOM 0 HD1 TRP B 15 1.437 -3.456 -4.468 1.00 70.33 H new ATOM 0 HE1 TRP B 15 -0.650 -4.897 -3.958 1.00 71.43 H new ATOM 0 HE3 TRP B 15 1.742 -3.436 0.634 1.00 55.14 H new ATOM 0 HZ2 TRP B 15 -1.954 -5.870 -1.663 1.00 32.51 H new ATOM 0 HZ3 TRP B 15 0.032 -4.648 1.923 1.00 14.42 H new ATOM 0 HH2 TRP B 15 -1.788 -5.856 0.788 1.00 73.15 H new ATOM 1275 N LYS B 16 5.299 -0.745 -2.728 1.00 43.31 N ATOM 1276 CA LYS B 16 6.377 0.140 -2.304 1.00 23.55 C ATOM 1277 C LYS B 16 6.625 1.231 -3.340 1.00 13.32 C ATOM 1278 O LYS B 16 7.136 2.304 -3.017 1.00 42.10 O ATOM 1279 CB LYS B 16 7.661 -0.661 -2.075 1.00 61.02 C ATOM 1280 CG LYS B 16 8.201 -1.319 -3.333 1.00 15.11 C ATOM 1281 CD LYS B 16 9.517 -0.698 -3.767 1.00 61.13 C ATOM 1282 CE LYS B 16 10.699 -1.580 -3.396 1.00 1.33 C ATOM 1283 NZ LYS B 16 11.413 -2.087 -4.600 1.00 70.05 N ATOM 0 H LYS B 16 5.610 -1.654 -3.071 1.00 43.31 H new ATOM 0 HA LYS B 16 6.078 0.613 -1.369 1.00 23.55 H new ATOM 0 HB2 LYS B 16 8.424 0.001 -1.665 1.00 61.02 H new ATOM 0 HB3 LYS B 16 7.471 -1.430 -1.326 1.00 61.02 H new ATOM 0 HG2 LYS B 16 8.342 -2.385 -3.155 1.00 15.11 H new ATOM 0 HG3 LYS B 16 7.471 -1.224 -4.136 1.00 15.11 H new ATOM 0 HD2 LYS B 16 9.506 -0.537 -4.845 1.00 61.13 H new ATOM 0 HD3 LYS B 16 9.631 0.280 -3.299 1.00 61.13 H new ATOM 0 HE2 LYS B 16 11.393 -1.014 -2.774 1.00 1.33 H new ATOM 0 HE3 LYS B 16 10.350 -2.423 -2.799 1.00 1.33 H new ATOM 0 HZ1 LYS B 16 12.212 -2.684 -4.304 1.00 70.05 H new ATOM 0 HZ2 LYS B 16 10.758 -2.648 -5.181 1.00 70.05 H new ATOM 0 HZ3 LYS B 16 11.769 -1.284 -5.157 1.00 70.05 H new ATOM 1297 N LYS B 17 6.259 0.952 -4.586 1.00 54.35 N ATOM 1298 CA LYS B 17 6.438 1.911 -5.670 1.00 60.12 C ATOM 1299 C LYS B 17 5.432 3.052 -5.559 1.00 75.25 C ATOM 1300 O LYS B 17 5.809 4.222 -5.496 1.00 42.13 O ATOM 1301 CB LYS B 17 6.287 1.214 -7.025 1.00 1.02 C ATOM 1302 CG LYS B 17 7.607 0.759 -7.624 1.00 41.42 C ATOM 1303 CD LYS B 17 8.347 1.912 -8.283 1.00 12.43 C ATOM 1304 CE LYS B 17 9.405 1.413 -9.254 1.00 11.42 C ATOM 1305 NZ LYS B 17 8.828 1.101 -10.591 1.00 75.41 N ATOM 0 H LYS B 17 5.836 0.069 -4.871 1.00 54.35 H new ATOM 0 HA LYS B 17 7.442 2.327 -5.592 1.00 60.12 H new ATOM 0 HB2 LYS B 17 5.633 0.350 -6.909 1.00 1.02 H new ATOM 0 HB3 LYS B 17 5.796 1.894 -7.722 1.00 1.02 H new ATOM 0 HG2 LYS B 17 8.231 0.324 -6.844 1.00 41.42 H new ATOM 0 HG3 LYS B 17 7.423 -0.024 -8.359 1.00 41.42 H new ATOM 0 HD2 LYS B 17 7.636 2.547 -8.812 1.00 12.43 H new ATOM 0 HD3 LYS B 17 8.817 2.529 -7.517 1.00 12.43 H new ATOM 0 HE2 LYS B 17 10.184 2.168 -9.362 1.00 11.42 H new ATOM 0 HE3 LYS B 17 9.880 0.521 -8.846 1.00 11.42 H new ATOM 0 HZ1 LYS B 17 9.581 0.764 -11.224 1.00 75.41 H new ATOM 0 HZ2 LYS B 17 8.102 0.362 -10.492 1.00 75.41 H new ATOM 0 HZ3 LYS B 17 8.397 1.958 -10.992 1.00 75.41 H new ATOM 1319 N LEU B 18 4.150 2.704 -5.535 1.00 10.31 N ATOM 1320 CA LEU B 18 3.088 3.699 -5.429 1.00 41.13 C ATOM 1321 C LEU B 18 3.298 4.591 -4.209 1.00 75.01 C ATOM 1322 O LEU B 18 3.071 5.800 -4.266 1.00 32.14 O ATOM 1323 CB LEU B 18 1.724 3.012 -5.344 1.00 62.43 C ATOM 1324 CG LEU B 18 1.173 2.451 -6.657 1.00 3.23 C ATOM 1325 CD1 LEU B 18 0.252 1.271 -6.387 1.00 73.01 C ATOM 1326 CD2 LEU B 18 0.441 3.534 -7.434 1.00 41.24 C ATOM 0 H LEU B 18 3.821 1.740 -5.588 1.00 10.31 H new ATOM 0 HA LEU B 18 3.118 4.323 -6.322 1.00 41.13 H new ATOM 0 HB2 LEU B 18 1.794 2.196 -4.624 1.00 62.43 H new ATOM 0 HB3 LEU B 18 1.003 3.727 -4.946 1.00 62.43 H new ATOM 0 HG LEU B 18 2.010 2.102 -7.261 1.00 3.23 H new ATOM 0 HD11 LEU B 18 -0.131 0.885 -7.332 1.00 73.01 H new ATOM 0 HD12 LEU B 18 0.807 0.487 -5.872 1.00 73.01 H new ATOM 0 HD13 LEU B 18 -0.581 1.595 -5.763 1.00 73.01 H new ATOM 0 HD21 LEU B 18 0.056 3.117 -8.365 1.00 41.24 H new ATOM 0 HD22 LEU B 18 -0.388 3.914 -6.836 1.00 41.24 H new ATOM 0 HD23 LEU B 18 1.129 4.349 -7.659 1.00 41.24 H new ATOM 1338 N ALA B 19 3.732 3.988 -3.109 1.00 24.41 N ATOM 1339 CA ALA B 19 3.977 4.728 -1.877 1.00 35.45 C ATOM 1340 C ALA B 19 4.990 5.844 -2.099 1.00 40.25 C ATOM 1341 O ALA B 19 5.020 6.824 -1.355 1.00 14.34 O ATOM 1342 CB ALA B 19 4.457 3.786 -0.782 1.00 64.13 C ATOM 0 H ALA B 19 3.922 2.988 -3.045 1.00 24.41 H new ATOM 0 HA ALA B 19 3.038 5.184 -1.563 1.00 35.45 H new ATOM 0 HB1 ALA B 19 4.636 4.352 0.132 1.00 64.13 H new ATOM 0 HB2 ALA B 19 3.697 3.027 -0.596 1.00 64.13 H new ATOM 0 HB3 ALA B 19 5.382 3.303 -1.097 1.00 64.13 H new ATOM 1348 N GLU B 20 5.817 5.690 -3.128 1.00 44.24 N ATOM 1349 CA GLU B 20 6.833 6.687 -3.446 1.00 40.15 C ATOM 1350 C GLU B 20 6.200 7.934 -4.057 1.00 74.21 C ATOM 1351 O GLU B 20 6.477 9.055 -3.633 1.00 54.32 O ATOM 1352 CB GLU B 20 7.868 6.103 -4.409 1.00 44.15 C ATOM 1353 CG GLU B 20 8.382 4.735 -3.995 1.00 71.11 C ATOM 1354 CD GLU B 20 9.895 4.683 -3.902 1.00 1.13 C ATOM 1355 OE1 GLU B 20 10.554 4.677 -4.962 1.00 71.15 O ATOM 1356 OE2 GLU B 20 10.419 4.647 -2.769 1.00 45.34 O ATOM 0 H GLU B 20 5.804 4.886 -3.755 1.00 44.24 H new ATOM 0 HA GLU B 20 7.330 6.971 -2.518 1.00 40.15 H new ATOM 0 HB2 GLU B 20 7.426 6.030 -5.403 1.00 44.15 H new ATOM 0 HB3 GLU B 20 8.710 6.791 -4.484 1.00 44.15 H new ATOM 0 HG2 GLU B 20 7.953 4.467 -3.029 1.00 71.11 H new ATOM 0 HG3 GLU B 20 8.040 3.990 -4.714 1.00 71.11 H new ATOM 1364 N GLU B 21 5.348 7.728 -5.057 1.00 72.52 N ATOM 1365 CA GLU B 21 4.677 8.834 -5.729 1.00 12.32 C ATOM 1366 C GLU B 21 3.584 9.426 -4.842 1.00 60.10 C ATOM 1367 O GLU B 21 3.522 10.639 -4.641 1.00 60.42 O ATOM 1368 CB GLU B 21 4.074 8.366 -7.055 1.00 1.23 C ATOM 1369 CG GLU B 21 5.067 7.651 -7.956 1.00 14.15 C ATOM 1370 CD GLU B 21 5.380 8.434 -9.216 1.00 10.15 C ATOM 1371 OE1 GLU B 21 4.437 8.735 -9.977 1.00 14.35 O ATOM 1372 OE2 GLU B 21 6.568 8.745 -9.441 1.00 31.11 O ATOM 0 H GLU B 21 5.107 6.806 -5.419 1.00 72.52 H new ATOM 0 HA GLU B 21 5.419 9.607 -5.929 1.00 12.32 H new ATOM 0 HB2 GLU B 21 3.237 7.698 -6.849 1.00 1.23 H new ATOM 0 HB3 GLU B 21 3.670 9.228 -7.585 1.00 1.23 H new ATOM 0 HG2 GLU B 21 5.990 7.474 -7.404 1.00 14.15 H new ATOM 0 HG3 GLU B 21 4.666 6.675 -8.229 1.00 14.15 H new ATOM 1380 N ALA B 22 2.726 8.561 -4.313 1.00 32.52 N ATOM 1381 CA ALA B 22 1.638 8.996 -3.448 1.00 33.15 C ATOM 1382 C ALA B 22 2.163 9.819 -2.277 1.00 63.24 C ATOM 1383 O ALA B 22 1.476 10.708 -1.773 1.00 4.31 O ATOM 1384 CB ALA B 22 0.854 7.794 -2.940 1.00 2.30 C ATOM 0 H ALA B 22 2.764 7.554 -4.469 1.00 32.52 H new ATOM 0 HA ALA B 22 0.972 9.629 -4.034 1.00 33.15 H new ATOM 0 HB1 ALA B 22 0.044 8.134 -2.295 1.00 2.30 H new ATOM 0 HB2 ALA B 22 0.438 7.247 -3.786 1.00 2.30 H new ATOM 0 HB3 ALA B 22 1.517 7.139 -2.375 1.00 2.30 H new ATOM 1390 N ALA B 23 3.384 9.518 -1.849 1.00 41.04 N ATOM 1391 CA ALA B 23 4.002 10.232 -0.738 1.00 41.12 C ATOM 1392 C ALA B 23 4.378 11.654 -1.142 1.00 43.33 C ATOM 1393 O ALA B 23 3.984 12.621 -0.489 1.00 51.30 O ATOM 1394 CB ALA B 23 5.229 9.480 -0.244 1.00 23.03 C ATOM 0 H ALA B 23 3.965 8.784 -2.255 1.00 41.04 H new ATOM 0 HA ALA B 23 3.276 10.292 0.073 1.00 41.12 H new ATOM 0 HB1 ALA B 23 5.680 10.025 0.585 1.00 23.03 H new ATOM 0 HB2 ALA B 23 4.935 8.485 0.092 1.00 23.03 H new ATOM 0 HB3 ALA B 23 5.952 9.390 -1.055 1.00 23.03 H new ATOM 1400 N LYS B 24 5.144 11.775 -2.220 1.00 51.35 N ATOM 1401 CA LYS B 24 5.575 13.079 -2.712 1.00 75.40 C ATOM 1402 C LYS B 24 4.378 13.915 -3.156 1.00 32.41 C ATOM 1403 O LYS B 24 4.371 15.137 -3.006 1.00 40.32 O ATOM 1404 CB LYS B 24 6.553 12.910 -3.877 1.00 43.52 C ATOM 1405 CG LYS B 24 6.007 12.065 -5.013 1.00 33.04 C ATOM 1406 CD LYS B 24 7.010 11.939 -6.147 1.00 1.03 C ATOM 1407 CE LYS B 24 7.900 10.719 -5.970 1.00 24.43 C ATOM 1408 NZ LYS B 24 9.224 10.897 -6.629 1.00 43.43 N ATOM 0 H LYS B 24 5.480 10.985 -2.771 1.00 51.35 H new ATOM 0 HA LYS B 24 6.078 13.599 -1.897 1.00 75.40 H new ATOM 0 HB2 LYS B 24 6.818 13.894 -4.263 1.00 43.52 H new ATOM 0 HB3 LYS B 24 7.471 12.455 -3.506 1.00 43.52 H new ATOM 0 HG2 LYS B 24 5.752 11.073 -4.640 1.00 33.04 H new ATOM 0 HG3 LYS B 24 5.086 12.511 -5.389 1.00 33.04 H new ATOM 0 HD2 LYS B 24 6.480 11.869 -7.097 1.00 1.03 H new ATOM 0 HD3 LYS B 24 7.626 12.837 -6.191 1.00 1.03 H new ATOM 0 HE2 LYS B 24 8.046 10.528 -4.907 1.00 24.43 H new ATOM 0 HE3 LYS B 24 7.402 9.843 -6.386 1.00 24.43 H new ATOM 0 HZ1 LYS B 24 9.801 10.044 -6.485 1.00 43.43 H new ATOM 0 HZ2 LYS B 24 9.086 11.054 -7.648 1.00 43.43 H new ATOM 0 HZ3 LYS B 24 9.711 11.717 -6.215 1.00 43.43 H new ATOM 1422 N LEU B 25 3.367 13.248 -3.702 1.00 73.32 N ATOM 1423 CA LEU B 25 2.164 13.929 -4.167 1.00 71.13 C ATOM 1424 C LEU B 25 1.269 14.316 -2.994 1.00 23.33 C ATOM 1425 O LEU B 25 0.672 15.393 -2.982 1.00 74.33 O ATOM 1426 CB LEU B 25 1.391 13.036 -5.140 1.00 12.24 C ATOM 1427 CG LEU B 25 1.548 13.366 -6.624 1.00 41.34 C ATOM 1428 CD1 LEU B 25 0.716 12.418 -7.473 1.00 12.32 C ATOM 1429 CD2 LEU B 25 1.154 14.812 -6.893 1.00 33.44 C ATOM 0 H LEU B 25 3.357 12.237 -3.833 1.00 73.32 H new ATOM 0 HA LEU B 25 2.469 14.839 -4.683 1.00 71.13 H new ATOM 0 HB2 LEU B 25 1.705 12.004 -4.983 1.00 12.24 H new ATOM 0 HB3 LEU B 25 0.332 13.089 -4.887 1.00 12.24 H new ATOM 0 HG LEU B 25 2.596 13.239 -6.896 1.00 41.34 H new ATOM 0 HD11 LEU B 25 0.841 12.669 -8.526 1.00 12.32 H new ATOM 0 HD12 LEU B 25 1.045 11.393 -7.302 1.00 12.32 H new ATOM 0 HD13 LEU B 25 -0.335 12.512 -7.200 1.00 12.32 H new ATOM 0 HD21 LEU B 25 1.272 15.030 -7.954 1.00 33.44 H new ATOM 0 HD22 LEU B 25 0.114 14.966 -6.604 1.00 33.44 H new ATOM 0 HD23 LEU B 25 1.794 15.477 -6.313 1.00 33.44 H new ATOM 1441 N LEU B 26 1.182 13.432 -2.006 1.00 1.12 N ATOM 1442 CA LEU B 26 0.362 13.681 -0.826 1.00 2.01 C ATOM 1443 C LEU B 26 0.672 15.049 -0.227 1.00 32.32 C ATOM 1444 O LEU B 26 -0.231 15.852 0.008 1.00 72.23 O ATOM 1445 CB LEU B 26 0.595 12.589 0.220 1.00 53.52 C ATOM 1446 CG LEU B 26 -0.444 11.467 0.263 1.00 61.23 C ATOM 1447 CD1 LEU B 26 0.079 10.286 1.065 1.00 13.23 C ATOM 1448 CD2 LEU B 26 -1.754 11.975 0.847 1.00 62.14 C ATOM 0 H LEU B 26 1.670 12.536 -1.999 1.00 1.12 H new ATOM 0 HA LEU B 26 -0.684 13.667 -1.131 1.00 2.01 H new ATOM 0 HB2 LEU B 26 1.574 12.144 0.040 1.00 53.52 H new ATOM 0 HB3 LEU B 26 0.635 13.058 1.203 1.00 53.52 H new ATOM 0 HG LEU B 26 -0.631 11.131 -0.757 1.00 61.23 H new ATOM 0 HD11 LEU B 26 -0.674 9.498 1.085 1.00 13.23 H new ATOM 0 HD12 LEU B 26 0.990 9.907 0.602 1.00 13.23 H new ATOM 0 HD13 LEU B 26 0.296 10.606 2.084 1.00 13.23 H new ATOM 0 HD21 LEU B 26 -2.481 11.163 0.870 1.00 62.14 H new ATOM 0 HD22 LEU B 26 -1.584 12.338 1.860 1.00 62.14 H new ATOM 0 HD23 LEU B 26 -2.137 12.788 0.230 1.00 62.14 H new ATOM 1460 N GLU B 27 1.952 15.307 0.016 1.00 41.14 N ATOM 1461 CA GLU B 27 2.380 16.580 0.586 1.00 31.22 C ATOM 1462 C GLU B 27 2.417 17.669 -0.482 1.00 0.25 C ATOM 1463 O GLU B 27 2.541 18.853 -0.173 1.00 2.55 O ATOM 1464 CB GLU B 27 3.759 16.436 1.232 1.00 50.25 C ATOM 1465 CG GLU B 27 3.713 16.317 2.746 1.00 31.51 C ATOM 1466 CD GLU B 27 5.068 16.003 3.348 1.00 21.15 C ATOM 1467 OE1 GLU B 27 5.113 15.598 4.529 1.00 63.31 O ATOM 1468 OE2 GLU B 27 6.084 16.162 2.640 1.00 45.11 O ATOM 0 H GLU B 27 2.711 14.652 -0.172 1.00 41.14 H new ATOM 0 HA GLU B 27 1.658 16.869 1.349 1.00 31.22 H new ATOM 0 HB2 GLU B 27 4.253 15.555 0.822 1.00 50.25 H new ATOM 0 HB3 GLU B 27 4.369 17.298 0.962 1.00 50.25 H new ATOM 0 HG2 GLU B 27 3.339 17.250 3.169 1.00 31.51 H new ATOM 0 HG3 GLU B 27 3.006 15.535 3.024 1.00 31.51 H new ATOM 1476 N GLY B 28 2.308 17.259 -1.742 1.00 21.22 N ATOM 1477 CA GLY B 28 2.332 18.211 -2.837 1.00 35.23 C ATOM 1478 C GLY B 28 3.658 18.936 -2.946 1.00 62.00 C ATOM 1479 O GLY B 28 3.741 20.009 -3.543 1.00 14.22 O ATOM 0 H GLY B 28 2.203 16.284 -2.024 1.00 21.22 H new ATOM 0 HA2 GLY B 28 2.129 17.689 -3.772 1.00 35.23 H new ATOM 0 HA3 GLY B 28 1.533 18.940 -2.698 1.00 35.23 H new ATOM 1483 N GLY B 29 4.702 18.349 -2.367 1.00 50.50 N ATOM 1484 CA GLY B 29 6.016 18.961 -2.411 1.00 64.02 C ATOM 1485 C GLY B 29 6.046 20.321 -1.742 1.00 11.11 C ATOM 1486 O GLY B 29 6.946 21.123 -1.988 1.00 73.05 O ATOM 0 H GLY B 29 4.660 17.460 -1.868 1.00 50.50 H new ATOM 0 HA2 GLY B 29 6.736 18.304 -1.923 1.00 64.02 H new ATOM 0 HA3 GLY B 29 6.331 19.064 -3.449 1.00 64.02 H new ATOM 1490 N GLY B 30 5.058 20.583 -0.892 1.00 33.21 N ATOM 1491 CA GLY B 30 4.991 21.856 -0.200 1.00 51.32 C ATOM 1492 C GLY B 30 3.572 22.372 -0.069 1.00 50.15 C ATOM 1493 O GLY B 30 3.269 23.490 -0.487 1.00 3.54 O ATOM 0 H GLY B 30 4.302 19.935 -0.670 1.00 33.21 H new ATOM 0 HA2 GLY B 30 5.428 21.750 0.793 1.00 51.32 H new ATOM 0 HA3 GLY B 30 5.593 22.590 -0.737 1.00 51.32 H new ATOM 1497 N GLY B 31 2.698 21.556 0.511 1.00 75.10 N ATOM 1498 CA GLY B 31 1.313 21.953 0.684 1.00 34.30 C ATOM 1499 C GLY B 31 0.631 21.207 1.813 1.00 5.30 C ATOM 1500 O GLY B 31 1.221 20.312 2.419 1.00 54.40 O ATOM 0 H GLY B 31 2.924 20.626 0.864 1.00 75.10 H new ATOM 0 HA2 GLY B 31 1.268 23.024 0.881 1.00 34.30 H new ATOM 0 HA3 GLY B 31 0.769 21.776 -0.244 1.00 34.30 H new ATOM 1504 N GLY B 32 -0.614 21.576 2.099 1.00 24.04 N ATOM 1505 CA GLY B 32 -1.353 20.926 3.165 1.00 54.04 C ATOM 1506 C GLY B 32 -0.589 20.905 4.473 1.00 23.24 C ATOM 1507 O GLY B 32 0.241 21.776 4.729 1.00 4.41 O ATOM 0 H GLY B 32 -1.123 22.313 1.612 1.00 24.04 H new ATOM 0 HA2 GLY B 32 -2.302 21.441 3.311 1.00 54.04 H new ATOM 0 HA3 GLY B 32 -1.588 19.904 2.869 1.00 54.04 H new ATOM 1511 N GLY B 33 -0.870 19.907 5.305 1.00 24.33 N ATOM 1512 CA GLY B 33 -0.194 19.795 6.585 1.00 21.44 C ATOM 1513 C GLY B 33 1.295 19.550 6.435 1.00 52.33 C ATOM 1514 O GLY B 33 2.110 20.395 6.805 1.00 32.12 O ATOM 0 H GLY B 33 -1.554 19.174 5.116 1.00 24.33 H new ATOM 0 HA2 GLY B 33 -0.353 20.709 7.157 1.00 21.44 H new ATOM 0 HA3 GLY B 33 -0.637 18.980 7.157 1.00 21.44 H new ATOM 1518 N GLY B 34 1.652 18.391 5.893 1.00 34.43 N ATOM 1519 CA GLY B 34 3.051 18.057 5.707 1.00 1.31 C ATOM 1520 C GLY B 34 3.786 17.885 7.021 1.00 15.03 C ATOM 1521 O GLY B 34 3.441 18.514 8.020 1.00 14.52 O ATOM 0 H GLY B 34 0.996 17.676 5.579 1.00 34.43 H new ATOM 0 HA2 GLY B 34 3.128 17.136 5.128 1.00 1.31 H new ATOM 0 HA3 GLY B 34 3.534 18.841 5.124 1.00 1.31 H new ATOM 1525 N GLY B 35 4.802 17.028 7.023 1.00 71.15 N ATOM 1526 CA GLY B 35 5.570 16.789 8.231 1.00 51.23 C ATOM 1527 C GLY B 35 5.705 15.313 8.549 1.00 43.12 C ATOM 1528 O GLY B 35 5.609 14.469 7.659 1.00 31.24 O ATOM 0 H GLY B 35 5.107 16.494 6.209 1.00 71.15 H new ATOM 0 HA2 GLY B 35 6.562 17.226 8.119 1.00 51.23 H new ATOM 0 HA3 GLY B 35 5.091 17.296 9.069 1.00 51.23 H new ATOM 1532 N GLU B 36 5.931 15.002 9.821 1.00 10.03 N ATOM 1533 CA GLU B 36 6.082 13.618 10.254 1.00 60.53 C ATOM 1534 C GLU B 36 4.789 12.837 10.039 1.00 11.15 C ATOM 1535 O GLU B 36 4.812 11.626 9.812 1.00 43.05 O ATOM 1536 CB GLU B 36 6.486 13.561 11.728 1.00 44.42 C ATOM 1537 CG GLU B 36 6.442 12.163 12.319 1.00 13.33 C ATOM 1538 CD GLU B 36 6.897 12.125 13.766 1.00 74.32 C ATOM 1539 OE1 GLU B 36 6.030 12.200 14.661 1.00 13.02 O ATOM 1540 OE2 GLU B 36 8.118 12.021 14.000 1.00 0.44 O ATOM 0 H GLU B 36 6.014 15.690 10.570 1.00 10.03 H new ATOM 0 HA GLU B 36 6.868 13.160 9.653 1.00 60.53 H new ATOM 0 HB2 GLU B 36 7.495 13.959 11.835 1.00 44.42 H new ATOM 0 HB3 GLU B 36 5.825 14.210 12.302 1.00 44.42 H new ATOM 0 HG2 GLU B 36 5.425 11.776 12.252 1.00 13.33 H new ATOM 0 HG3 GLU B 36 7.074 11.502 11.726 1.00 13.33 H new ATOM 1548 N LEU B 37 3.663 13.536 10.115 1.00 1.54 N ATOM 1549 CA LEU B 37 2.359 12.909 9.931 1.00 73.05 C ATOM 1550 C LEU B 37 2.320 12.107 8.634 1.00 74.12 C ATOM 1551 O LEU B 37 1.684 11.055 8.563 1.00 62.40 O ATOM 1552 CB LEU B 37 1.257 13.972 9.920 1.00 64.01 C ATOM 1553 CG LEU B 37 1.104 14.767 8.623 1.00 72.43 C ATOM 1554 CD1 LEU B 37 0.124 14.077 7.687 1.00 62.52 C ATOM 1555 CD2 LEU B 37 0.651 16.188 8.918 1.00 15.32 C ATOM 0 H LEU B 37 3.626 14.538 10.303 1.00 1.54 H new ATOM 0 HA LEU B 37 2.189 12.227 10.764 1.00 73.05 H new ATOM 0 HB2 LEU B 37 0.307 13.484 10.138 1.00 64.01 H new ATOM 0 HB3 LEU B 37 1.448 14.673 10.732 1.00 64.01 H new ATOM 0 HG LEU B 37 2.075 14.812 8.131 1.00 72.43 H new ATOM 0 HD11 LEU B 37 0.028 14.657 6.769 1.00 62.52 H new ATOM 0 HD12 LEU B 37 0.490 13.078 7.449 1.00 62.52 H new ATOM 0 HD13 LEU B 37 -0.849 14.000 8.172 1.00 62.52 H new ATOM 0 HD21 LEU B 37 0.548 16.738 7.983 1.00 15.32 H new ATOM 0 HD22 LEU B 37 -0.309 16.164 9.433 1.00 15.32 H new ATOM 0 HD23 LEU B 37 1.389 16.682 9.550 1.00 15.32 H new ATOM 1567 N MET B 38 3.004 12.610 7.612 1.00 32.53 N ATOM 1568 CA MET B 38 3.050 11.936 6.319 1.00 72.12 C ATOM 1569 C MET B 38 3.929 10.692 6.384 1.00 1.32 C ATOM 1570 O MET B 38 3.645 9.683 5.738 1.00 43.30 O ATOM 1571 CB MET B 38 3.572 12.890 5.242 1.00 11.15 C ATOM 1572 CG MET B 38 3.654 12.260 3.861 1.00 22.50 C ATOM 1573 SD MET B 38 5.188 12.663 3.004 1.00 60.33 S ATOM 1574 CE MET B 38 6.395 11.933 4.106 1.00 11.14 C ATOM 0 H MET B 38 3.534 13.481 7.653 1.00 32.53 H new ATOM 0 HA MET B 38 2.037 11.628 6.061 1.00 72.12 H new ATOM 0 HB2 MET B 38 2.922 13.764 5.196 1.00 11.15 H new ATOM 0 HB3 MET B 38 4.562 13.244 5.530 1.00 11.15 H new ATOM 0 HG2 MET B 38 3.568 11.177 3.954 1.00 22.50 H new ATOM 0 HG3 MET B 38 2.808 12.597 3.262 1.00 22.50 H new ATOM 0 HE1 MET B 38 7.320 11.746 3.560 1.00 11.14 H new ATOM 0 HE2 MET B 38 6.593 12.616 4.932 1.00 11.14 H new ATOM 0 HE3 MET B 38 6.008 10.992 4.498 1.00 11.14 H new ATOM 1584 N LYS B 39 4.999 10.770 7.169 1.00 72.21 N ATOM 1585 CA LYS B 39 5.921 9.650 7.320 1.00 52.12 C ATOM 1586 C LYS B 39 5.176 8.385 7.732 1.00 62.24 C ATOM 1587 O LYS B 39 5.580 7.274 7.385 1.00 71.21 O ATOM 1588 CB LYS B 39 6.995 9.984 8.357 1.00 13.30 C ATOM 1589 CG LYS B 39 8.234 9.112 8.253 1.00 71.54 C ATOM 1590 CD LYS B 39 8.888 8.907 9.608 1.00 5.10 C ATOM 1591 CE LYS B 39 10.306 8.373 9.468 1.00 71.13 C ATOM 1592 NZ LYS B 39 10.978 8.232 10.789 1.00 65.35 N ATOM 0 H LYS B 39 5.249 11.597 7.710 1.00 72.21 H new ATOM 0 HA LYS B 39 6.399 9.471 6.357 1.00 52.12 H new ATOM 0 HB2 LYS B 39 7.286 11.028 8.243 1.00 13.30 H new ATOM 0 HB3 LYS B 39 6.570 9.879 9.355 1.00 13.30 H new ATOM 0 HG2 LYS B 39 7.965 8.145 7.828 1.00 71.54 H new ATOM 0 HG3 LYS B 39 8.948 9.573 7.570 1.00 71.54 H new ATOM 0 HD2 LYS B 39 8.906 9.852 10.151 1.00 5.10 H new ATOM 0 HD3 LYS B 39 8.293 8.211 10.199 1.00 5.10 H new ATOM 0 HE2 LYS B 39 10.282 7.405 8.968 1.00 71.13 H new ATOM 0 HE3 LYS B 39 10.886 9.045 8.835 1.00 71.13 H new ATOM 0 HZ1 LYS B 39 11.942 7.866 10.651 1.00 65.35 H new ATOM 0 HZ2 LYS B 39 11.024 9.160 11.256 1.00 65.35 H new ATOM 0 HZ3 LYS B 39 10.439 7.571 11.384 1.00 65.35 H new ATOM 1606 N LEU B 40 4.087 8.559 8.471 1.00 35.51 N ATOM 1607 CA LEU B 40 3.284 7.430 8.929 1.00 22.21 C ATOM 1608 C LEU B 40 2.872 6.544 7.757 1.00 24.02 C ATOM 1609 O LEU B 40 3.172 5.349 7.736 1.00 63.34 O ATOM 1610 CB LEU B 40 2.040 7.929 9.667 1.00 40.22 C ATOM 1611 CG LEU B 40 2.218 8.232 11.154 1.00 5.31 C ATOM 1612 CD1 LEU B 40 1.991 6.980 11.986 1.00 31.14 C ATOM 1613 CD2 LEU B 40 3.604 8.806 11.419 1.00 54.00 C ATOM 0 H LEU B 40 3.739 9.471 8.766 1.00 35.51 H new ATOM 0 HA LEU B 40 3.892 6.838 9.613 1.00 22.21 H new ATOM 0 HB2 LEU B 40 1.687 8.834 9.172 1.00 40.22 H new ATOM 0 HB3 LEU B 40 1.255 7.181 9.561 1.00 40.22 H new ATOM 0 HG LEU B 40 1.476 8.975 11.444 1.00 5.31 H new ATOM 0 HD11 LEU B 40 2.122 7.216 13.042 1.00 31.14 H new ATOM 0 HD12 LEU B 40 0.979 6.611 11.820 1.00 31.14 H new ATOM 0 HD13 LEU B 40 2.709 6.214 11.694 1.00 31.14 H new ATOM 0 HD21 LEU B 40 3.714 9.016 12.483 1.00 54.00 H new ATOM 0 HD22 LEU B 40 4.361 8.085 11.112 1.00 54.00 H new ATOM 0 HD23 LEU B 40 3.730 9.728 10.852 1.00 54.00 H new ATOM 1625 N CYS B 41 2.187 7.136 6.786 1.00 24.32 N ATOM 1626 CA CYS B 41 1.737 6.400 5.610 1.00 55.33 C ATOM 1627 C CYS B 41 2.924 5.897 4.795 1.00 14.44 C ATOM 1628 O CYS B 41 2.868 4.820 4.202 1.00 24.12 O ATOM 1629 CB CYS B 41 0.844 7.286 4.739 1.00 1.44 C ATOM 1630 SG CYS B 41 -0.484 8.113 5.646 1.00 2.32 S ATOM 0 H CYS B 41 1.931 8.123 6.789 1.00 24.32 H new ATOM 0 HA CYS B 41 1.162 5.539 5.950 1.00 55.33 H new ATOM 0 HB2 CYS B 41 1.462 8.041 4.253 1.00 1.44 H new ATOM 0 HB3 CYS B 41 0.405 6.676 3.949 1.00 1.44 H new ATOM 0 HG CYS B 41 -1.394 8.518 4.810 1.00 2.32 H new ATOM 1636 N GLU B 42 3.994 6.684 4.771 1.00 44.54 N ATOM 1637 CA GLU B 42 5.193 6.319 4.026 1.00 21.44 C ATOM 1638 C GLU B 42 5.720 4.958 4.476 1.00 54.31 C ATOM 1639 O GLU B 42 6.385 4.257 3.715 1.00 20.52 O ATOM 1640 CB GLU B 42 6.277 7.382 4.208 1.00 44.13 C ATOM 1641 CG GLU B 42 7.593 7.033 3.531 1.00 1.44 C ATOM 1642 CD GLU B 42 8.508 8.233 3.381 1.00 70.12 C ATOM 1643 OE1 GLU B 42 8.497 8.854 2.297 1.00 2.14 O ATOM 1644 OE2 GLU B 42 9.234 8.551 4.345 1.00 30.32 O ATOM 0 H GLU B 42 4.056 7.578 5.258 1.00 44.54 H new ATOM 0 HA GLU B 42 4.929 6.257 2.970 1.00 21.44 H new ATOM 0 HB2 GLU B 42 5.914 8.330 3.811 1.00 44.13 H new ATOM 0 HB3 GLU B 42 6.454 7.529 5.273 1.00 44.13 H new ATOM 0 HG2 GLU B 42 8.102 6.263 4.110 1.00 1.44 H new ATOM 0 HG3 GLU B 42 7.390 6.610 2.547 1.00 1.44 H new ATOM 1652 N GLU B 43 5.416 4.594 5.717 1.00 11.45 N ATOM 1653 CA GLU B 43 5.859 3.319 6.269 1.00 22.02 C ATOM 1654 C GLU B 43 5.413 2.159 5.385 1.00 61.50 C ATOM 1655 O GLU B 43 6.036 1.098 5.372 1.00 11.24 O ATOM 1656 CB GLU B 43 5.313 3.134 7.686 1.00 34.24 C ATOM 1657 CG GLU B 43 5.697 4.254 8.639 1.00 32.50 C ATOM 1658 CD GLU B 43 6.803 3.851 9.595 1.00 44.32 C ATOM 1659 OE1 GLU B 43 6.614 4.010 10.819 1.00 21.23 O ATOM 1660 OE2 GLU B 43 7.857 3.380 9.120 1.00 71.04 O ATOM 0 H GLU B 43 4.865 5.163 6.359 1.00 11.45 H new ATOM 0 HA GLU B 43 6.948 3.327 6.305 1.00 22.02 H new ATOM 0 HB2 GLU B 43 4.226 3.064 7.641 1.00 34.24 H new ATOM 0 HB3 GLU B 43 5.677 2.188 8.086 1.00 34.24 H new ATOM 0 HG2 GLU B 43 6.018 5.122 8.063 1.00 32.50 H new ATOM 0 HG3 GLU B 43 4.820 4.557 9.211 1.00 32.50 H new ATOM 1668 N ALA B 44 4.329 2.369 4.645 1.00 54.33 N ATOM 1669 CA ALA B 44 3.799 1.343 3.755 1.00 4.13 C ATOM 1670 C ALA B 44 4.882 0.817 2.818 1.00 35.14 C ATOM 1671 O ALA B 44 5.020 -0.391 2.631 1.00 31.13 O ATOM 1672 CB ALA B 44 2.627 1.892 2.955 1.00 33.23 C ATOM 0 H ALA B 44 3.800 3.241 4.644 1.00 54.33 H new ATOM 0 HA ALA B 44 3.449 0.512 4.367 1.00 4.13 H new ATOM 0 HB1 ALA B 44 2.241 1.115 2.295 1.00 33.23 H new ATOM 0 HB2 ALA B 44 1.839 2.213 3.637 1.00 33.23 H new ATOM 0 HB3 ALA B 44 2.959 2.742 2.359 1.00 33.23 H new ATOM 1678 N ALA B 45 5.647 1.732 2.233 1.00 60.12 N ATOM 1679 CA ALA B 45 6.717 1.359 1.316 1.00 11.01 C ATOM 1680 C ALA B 45 7.918 0.802 2.073 1.00 72.33 C ATOM 1681 O ALA B 45 8.729 0.063 1.514 1.00 61.31 O ATOM 1682 CB ALA B 45 7.131 2.557 0.474 1.00 2.11 C ATOM 0 H ALA B 45 5.546 2.737 2.377 1.00 60.12 H new ATOM 0 HA ALA B 45 6.341 0.577 0.656 1.00 11.01 H new ATOM 0 HB1 ALA B 45 7.931 2.265 -0.206 1.00 2.11 H new ATOM 0 HB2 ALA B 45 6.276 2.910 -0.102 1.00 2.11 H new ATOM 0 HB3 ALA B 45 7.484 3.356 1.126 1.00 2.11 H new ATOM 1688 N LYS B 46 8.027 1.160 3.347 1.00 51.51 N ATOM 1689 CA LYS B 46 9.128 0.696 4.182 1.00 25.44 C ATOM 1690 C LYS B 46 8.928 -0.761 4.588 1.00 74.34 C ATOM 1691 O LYS B 46 9.835 -1.583 4.459 1.00 73.31 O ATOM 1692 CB LYS B 46 9.254 1.571 5.431 1.00 51.02 C ATOM 1693 CG LYS B 46 10.201 1.008 6.476 1.00 1.13 C ATOM 1694 CD LYS B 46 11.177 2.062 6.970 1.00 0.44 C ATOM 1695 CE LYS B 46 12.331 2.252 6.000 1.00 61.34 C ATOM 1696 NZ LYS B 46 12.578 3.691 5.707 1.00 64.24 N ATOM 0 H LYS B 46 7.365 1.771 3.825 1.00 51.51 H new ATOM 0 HA LYS B 46 10.047 0.770 3.600 1.00 25.44 H new ATOM 0 HB2 LYS B 46 9.599 2.562 5.137 1.00 51.02 H new ATOM 0 HB3 LYS B 46 8.267 1.697 5.877 1.00 51.02 H new ATOM 0 HG2 LYS B 46 9.627 0.620 7.317 1.00 1.13 H new ATOM 0 HG3 LYS B 46 10.754 0.169 6.053 1.00 1.13 H new ATOM 0 HD2 LYS B 46 10.654 3.009 7.105 1.00 0.44 H new ATOM 0 HD3 LYS B 46 11.565 1.771 7.946 1.00 0.44 H new ATOM 0 HE2 LYS B 46 13.234 1.806 6.418 1.00 61.34 H new ATOM 0 HE3 LYS B 46 12.115 1.724 5.071 1.00 61.34 H new ATOM 0 HZ1 LYS B 46 13.373 3.778 5.042 1.00 64.24 H new ATOM 0 HZ2 LYS B 46 11.725 4.111 5.285 1.00 64.24 H new ATOM 0 HZ3 LYS B 46 12.809 4.190 6.590 1.00 64.24 H new ATOM 1710 N LYS B 47 7.733 -1.074 5.076 1.00 34.42 N ATOM 1711 CA LYS B 47 7.410 -2.433 5.497 1.00 11.12 C ATOM 1712 C LYS B 47 7.216 -3.345 4.291 1.00 51.11 C ATOM 1713 O LYS B 47 7.821 -4.414 4.205 1.00 14.43 O ATOM 1714 CB LYS B 47 6.146 -2.434 6.361 1.00 34.30 C ATOM 1715 CG LYS B 47 6.417 -2.210 7.838 1.00 64.30 C ATOM 1716 CD LYS B 47 5.234 -1.555 8.529 1.00 53.43 C ATOM 1717 CE LYS B 47 5.672 -0.759 9.749 1.00 53.25 C ATOM 1718 NZ LYS B 47 4.727 -0.924 10.888 1.00 14.13 N ATOM 0 H LYS B 47 6.971 -0.405 5.190 1.00 34.42 H new ATOM 0 HA LYS B 47 8.245 -2.813 6.085 1.00 11.12 H new ATOM 0 HB2 LYS B 47 5.471 -1.657 6.003 1.00 34.30 H new ATOM 0 HB3 LYS B 47 5.631 -3.387 6.235 1.00 34.30 H new ATOM 0 HG2 LYS B 47 6.637 -3.164 8.317 1.00 64.30 H new ATOM 0 HG3 LYS B 47 7.301 -1.583 7.956 1.00 64.30 H new ATOM 0 HD2 LYS B 47 4.721 -0.896 7.828 1.00 53.43 H new ATOM 0 HD3 LYS B 47 4.518 -2.320 8.830 1.00 53.43 H new ATOM 0 HE2 LYS B 47 6.668 -1.081 10.054 1.00 53.25 H new ATOM 0 HE3 LYS B 47 5.744 0.297 9.487 1.00 53.25 H new ATOM 0 HZ1 LYS B 47 5.061 -0.366 11.700 1.00 14.13 H new ATOM 0 HZ2 LYS B 47 3.782 -0.594 10.606 1.00 14.13 H new ATOM 0 HZ3 LYS B 47 4.677 -1.928 11.155 1.00 14.13 H new ATOM 1732 N ALA B 48 6.369 -2.916 3.360 1.00 4.12 N ATOM 1733 CA ALA B 48 6.099 -3.694 2.157 1.00 54.41 C ATOM 1734 C ALA B 48 7.394 -4.071 1.445 1.00 74.02 C ATOM 1735 O ALA B 48 7.461 -5.092 0.762 1.00 1.43 O ATOM 1736 CB ALA B 48 5.186 -2.915 1.220 1.00 12.14 C ATOM 0 H ALA B 48 5.859 -2.035 3.416 1.00 4.12 H new ATOM 0 HA ALA B 48 5.597 -4.615 2.454 1.00 54.41 H new ATOM 0 HB1 ALA B 48 4.992 -3.507 0.326 1.00 12.14 H new ATOM 0 HB2 ALA B 48 4.244 -2.701 1.725 1.00 12.14 H new ATOM 0 HB3 ALA B 48 5.668 -1.979 0.938 1.00 12.14 H new ATOM 1742 N GLU B 49 8.417 -3.239 1.609 1.00 65.20 N ATOM 1743 CA GLU B 49 9.710 -3.486 0.978 1.00 13.30 C ATOM 1744 C GLU B 49 10.484 -4.564 1.731 1.00 0.31 C ATOM 1745 O GLU B 49 11.179 -5.379 1.126 1.00 44.42 O ATOM 1746 CB GLU B 49 10.531 -2.196 0.924 1.00 12.52 C ATOM 1747 CG GLU B 49 11.929 -2.387 0.363 1.00 33.44 C ATOM 1748 CD GLU B 49 13.011 -1.921 1.318 1.00 74.25 C ATOM 1749 OE1 GLU B 49 12.984 -0.735 1.709 1.00 44.12 O ATOM 1750 OE2 GLU B 49 13.884 -2.740 1.672 1.00 53.13 O ATOM 0 H GLU B 49 8.377 -2.389 2.172 1.00 65.20 H new ATOM 0 HA GLU B 49 9.529 -3.835 -0.039 1.00 13.30 H new ATOM 0 HB2 GLU B 49 10.001 -1.464 0.315 1.00 12.52 H new ATOM 0 HB3 GLU B 49 10.606 -1.781 1.929 1.00 12.52 H new ATOM 0 HG2 GLU B 49 12.083 -3.441 0.133 1.00 33.44 H new ATOM 0 HG3 GLU B 49 12.018 -1.839 -0.575 1.00 33.44 H new ATOM 1758 N GLU B 50 10.359 -4.560 3.054 1.00 35.42 N ATOM 1759 CA GLU B 50 11.048 -5.537 3.889 1.00 22.13 C ATOM 1760 C GLU B 50 10.376 -6.904 3.795 1.00 21.33 C ATOM 1761 O GLU B 50 11.028 -7.911 3.516 1.00 64.05 O ATOM 1762 CB GLU B 50 11.073 -5.069 5.346 1.00 55.43 C ATOM 1763 CG GLU B 50 12.471 -4.780 5.868 1.00 34.13 C ATOM 1764 CD GLU B 50 12.479 -4.413 7.339 1.00 53.31 C ATOM 1765 OE1 GLU B 50 12.874 -3.273 7.663 1.00 42.54 O ATOM 1766 OE2 GLU B 50 12.091 -5.263 8.167 1.00 71.53 O ATOM 0 H GLU B 50 9.787 -3.892 3.571 1.00 35.42 H new ATOM 0 HA GLU B 50 12.072 -5.628 3.526 1.00 22.13 H new ATOM 0 HB2 GLU B 50 10.466 -4.169 5.440 1.00 55.43 H new ATOM 0 HB3 GLU B 50 10.611 -5.832 5.972 1.00 55.43 H new ATOM 0 HG2 GLU B 50 13.101 -5.656 5.712 1.00 34.13 H new ATOM 0 HG3 GLU B 50 12.909 -3.965 5.292 1.00 34.13 H new ATOM 1774 N LEU B 51 9.070 -6.933 4.031 1.00 55.32 N ATOM 1775 CA LEU B 51 8.308 -8.176 3.973 1.00 52.42 C ATOM 1776 C LEU B 51 8.362 -8.783 2.575 1.00 20.11 C ATOM 1777 O LEU B 51 8.107 -9.973 2.394 1.00 70.30 O ATOM 1778 CB LEU B 51 6.854 -7.925 4.377 1.00 73.32 C ATOM 1779 CG LEU B 51 6.078 -6.933 3.510 1.00 42.45 C ATOM 1780 CD1 LEU B 51 5.509 -7.627 2.282 1.00 41.24 C ATOM 1781 CD2 LEU B 51 4.967 -6.275 4.316 1.00 63.42 C ATOM 0 H LEU B 51 8.515 -6.109 4.265 1.00 55.32 H new ATOM 0 HA LEU B 51 8.756 -8.881 4.673 1.00 52.42 H new ATOM 0 HB2 LEU B 51 6.325 -8.878 4.366 1.00 73.32 H new ATOM 0 HB3 LEU B 51 6.841 -7.565 5.406 1.00 73.32 H new ATOM 0 HG LEU B 51 6.766 -6.157 3.176 1.00 42.45 H new ATOM 0 HD11 LEU B 51 4.960 -6.905 1.678 1.00 41.24 H new ATOM 0 HD12 LEU B 51 6.323 -8.049 1.693 1.00 41.24 H new ATOM 0 HD13 LEU B 51 4.835 -8.425 2.594 1.00 41.24 H new ATOM 0 HD21 LEU B 51 4.425 -5.572 3.683 1.00 63.42 H new ATOM 0 HD22 LEU B 51 4.280 -7.039 4.680 1.00 63.42 H new ATOM 0 HD23 LEU B 51 5.399 -5.742 5.163 1.00 63.42 H new ATOM 1793 N PHE B 52 8.698 -7.957 1.589 1.00 3.31 N ATOM 1794 CA PHE B 52 8.788 -8.413 0.207 1.00 60.11 C ATOM 1795 C PHE B 52 9.682 -9.645 0.098 1.00 21.22 C ATOM 1796 O PHE B 52 9.565 -10.430 -0.844 1.00 11.33 O ATOM 1797 CB PHE B 52 9.329 -7.295 -0.687 1.00 71.11 C ATOM 1798 CG PHE B 52 9.593 -7.733 -2.100 1.00 3.52 C ATOM 1799 CD1 PHE B 52 8.638 -8.441 -2.811 1.00 12.25 C ATOM 1800 CD2 PHE B 52 10.798 -7.436 -2.715 1.00 71.14 C ATOM 1801 CE1 PHE B 52 8.879 -8.845 -4.110 1.00 52.12 C ATOM 1802 CE2 PHE B 52 11.044 -7.837 -4.015 1.00 70.22 C ATOM 1803 CZ PHE B 52 10.084 -8.543 -4.713 1.00 54.21 C ATOM 0 H PHE B 52 8.912 -6.969 1.722 1.00 3.31 H new ATOM 0 HA PHE B 52 7.786 -8.682 -0.127 1.00 60.11 H new ATOM 0 HB2 PHE B 52 8.615 -6.471 -0.698 1.00 71.11 H new ATOM 0 HB3 PHE B 52 10.253 -6.910 -0.255 1.00 71.11 H new ATOM 0 HD1 PHE B 52 7.694 -8.680 -2.344 1.00 12.25 H new ATOM 0 HD2 PHE B 52 11.553 -6.886 -2.173 1.00 71.14 H new ATOM 0 HE1 PHE B 52 8.126 -9.396 -4.653 1.00 52.12 H new ATOM 0 HE2 PHE B 52 11.987 -7.598 -4.485 1.00 70.22 H new ATOM 0 HZ PHE B 52 10.275 -8.858 -5.728 1.00 54.21 H new ATOM 1813 N LYS B 53 10.577 -9.807 1.066 1.00 32.24 N ATOM 1814 CA LYS B 53 11.491 -10.942 1.082 1.00 61.12 C ATOM 1815 C LYS B 53 10.729 -12.257 0.950 1.00 11.34 C ATOM 1816 O LYS B 53 11.164 -13.171 0.250 1.00 62.30 O ATOM 1817 CB LYS B 53 12.314 -10.944 2.372 1.00 45.32 C ATOM 1818 CG LYS B 53 11.468 -10.985 3.633 1.00 31.30 C ATOM 1819 CD LYS B 53 12.329 -10.939 4.883 1.00 12.43 C ATOM 1820 CE LYS B 53 13.150 -9.661 4.947 1.00 4.32 C ATOM 1821 NZ LYS B 53 14.614 -9.940 4.940 1.00 14.05 N ATOM 0 H LYS B 53 10.689 -9.165 1.851 1.00 32.24 H new ATOM 0 HA LYS B 53 12.164 -10.845 0.230 1.00 61.12 H new ATOM 0 HB2 LYS B 53 12.983 -11.805 2.365 1.00 45.32 H new ATOM 0 HB3 LYS B 53 12.941 -10.053 2.394 1.00 45.32 H new ATOM 0 HG2 LYS B 53 10.776 -10.143 3.636 1.00 31.30 H new ATOM 0 HG3 LYS B 53 10.865 -11.893 3.638 1.00 31.30 H new ATOM 0 HD2 LYS B 53 11.694 -11.010 5.766 1.00 12.43 H new ATOM 0 HD3 LYS B 53 12.995 -11.802 4.899 1.00 12.43 H new ATOM 0 HE2 LYS B 53 12.898 -9.025 4.099 1.00 4.32 H new ATOM 0 HE3 LYS B 53 12.890 -9.107 5.849 1.00 4.32 H new ATOM 0 HZ1 LYS B 53 15.139 -9.043 4.985 1.00 14.05 H new ATOM 0 HZ2 LYS B 53 14.860 -10.526 5.763 1.00 14.05 H new ATOM 0 HZ3 LYS B 53 14.867 -10.446 4.067 1.00 14.05 H new ATOM 1835 N LEU B 54 9.590 -12.345 1.628 1.00 35.32 N ATOM 1836 CA LEU B 54 8.765 -13.548 1.586 1.00 23.10 C ATOM 1837 C LEU B 54 8.407 -13.913 0.149 1.00 45.14 C ATOM 1838 O LEU B 54 8.084 -15.062 -0.147 1.00 32.33 O ATOM 1839 CB LEU B 54 7.490 -13.344 2.405 1.00 20.25 C ATOM 1840 CG LEU B 54 7.061 -14.521 3.284 1.00 65.24 C ATOM 1841 CD1 LEU B 54 8.157 -14.873 4.277 1.00 14.42 C ATOM 1842 CD2 LEU B 54 5.763 -14.200 4.009 1.00 43.51 C ATOM 0 H LEU B 54 9.216 -11.598 2.213 1.00 35.32 H new ATOM 0 HA LEU B 54 9.339 -14.368 2.017 1.00 23.10 H new ATOM 0 HB2 LEU B 54 7.628 -12.471 3.043 1.00 20.25 H new ATOM 0 HB3 LEU B 54 6.675 -13.112 1.719 1.00 20.25 H new ATOM 0 HG LEU B 54 6.890 -15.386 2.643 1.00 65.24 H new ATOM 0 HD11 LEU B 54 7.834 -15.712 4.893 1.00 14.42 H new ATOM 0 HD12 LEU B 54 9.063 -15.147 3.737 1.00 14.42 H new ATOM 0 HD13 LEU B 54 8.361 -14.012 4.914 1.00 14.42 H new ATOM 0 HD21 LEU B 54 5.473 -15.048 4.629 1.00 43.51 H new ATOM 0 HD22 LEU B 54 5.906 -13.322 4.639 1.00 43.51 H new ATOM 0 HD23 LEU B 54 4.979 -13.999 3.279 1.00 43.51 H new ATOM 1854 N ALA B 55 8.471 -12.926 -0.740 1.00 33.55 N ATOM 1855 CA ALA B 55 8.158 -13.145 -2.147 1.00 32.22 C ATOM 1856 C ALA B 55 9.206 -14.032 -2.810 1.00 74.42 C ATOM 1857 O ALA B 55 8.928 -14.694 -3.810 1.00 41.01 O ATOM 1858 CB ALA B 55 8.050 -11.815 -2.877 1.00 2.23 C ATOM 0 H ALA B 55 8.736 -11.968 -0.511 1.00 33.55 H new ATOM 0 HA ALA B 55 7.197 -13.657 -2.205 1.00 32.22 H new ATOM 0 HB1 ALA B 55 7.816 -11.994 -3.926 1.00 2.23 H new ATOM 0 HB2 ALA B 55 7.259 -11.216 -2.426 1.00 2.23 H new ATOM 0 HB3 ALA B 55 8.997 -11.281 -2.802 1.00 2.23 H new ATOM 1864 N GLU B 56 10.410 -14.038 -2.249 1.00 24.50 N ATOM 1865 CA GLU B 56 11.500 -14.843 -2.790 1.00 73.40 C ATOM 1866 C GLU B 56 11.321 -16.315 -2.427 1.00 12.33 C ATOM 1867 O GLU B 56 11.792 -17.201 -3.138 1.00 62.31 O ATOM 1868 CB GLU B 56 12.846 -14.338 -2.267 1.00 13.42 C ATOM 1869 CG GLU B 56 12.937 -12.824 -2.184 1.00 54.41 C ATOM 1870 CD GLU B 56 14.249 -12.288 -2.722 1.00 51.33 C ATOM 1871 OE1 GLU B 56 15.276 -12.429 -2.027 1.00 24.23 O ATOM 1872 OE2 GLU B 56 14.248 -11.726 -3.837 1.00 71.45 O ATOM 0 H GLU B 56 10.656 -13.496 -1.421 1.00 24.50 H new ATOM 0 HA GLU B 56 11.482 -14.749 -3.876 1.00 73.40 H new ATOM 0 HB2 GLU B 56 13.023 -14.759 -1.277 1.00 13.42 H new ATOM 0 HB3 GLU B 56 13.640 -14.706 -2.917 1.00 13.42 H new ATOM 0 HG2 GLU B 56 12.112 -12.383 -2.743 1.00 54.41 H new ATOM 0 HG3 GLU B 56 12.820 -12.513 -1.146 1.00 54.41 H new ATOM 1880 N GLU B 57 10.637 -16.565 -1.314 1.00 65.53 N ATOM 1881 CA GLU B 57 10.398 -17.929 -0.857 1.00 11.34 C ATOM 1882 C GLU B 57 9.555 -18.702 -1.867 1.00 52.23 C ATOM 1883 O GLU B 57 9.901 -19.817 -2.256 1.00 22.03 O ATOM 1884 CB GLU B 57 9.700 -17.918 0.505 1.00 52.31 C ATOM 1885 CG GLU B 57 10.473 -17.172 1.580 1.00 65.32 C ATOM 1886 CD GLU B 57 11.313 -18.096 2.441 1.00 64.43 C ATOM 1887 OE1 GLU B 57 12.338 -18.605 1.939 1.00 40.11 O ATOM 1888 OE2 GLU B 57 10.947 -18.311 3.615 1.00 55.12 O ATOM 0 H GLU B 57 10.240 -15.842 -0.714 1.00 65.53 H new ATOM 0 HA GLU B 57 11.363 -18.427 -0.759 1.00 11.34 H new ATOM 0 HB2 GLU B 57 8.716 -17.463 0.396 1.00 52.31 H new ATOM 0 HB3 GLU B 57 9.542 -18.946 0.831 1.00 52.31 H new ATOM 0 HG2 GLU B 57 11.120 -16.432 1.110 1.00 65.32 H new ATOM 0 HG3 GLU B 57 9.773 -16.627 2.214 1.00 65.32 H new ATOM 1896 N ARG B 58 8.446 -18.100 -2.286 1.00 60.55 N ATOM 1897 CA ARG B 58 7.552 -18.732 -3.249 1.00 72.22 C ATOM 1898 C ARG B 58 8.102 -18.603 -4.667 1.00 74.44 C ATOM 1899 O ARG B 58 7.702 -19.342 -5.568 1.00 45.24 O ATOM 1900 CB ARG B 58 6.159 -18.105 -3.172 1.00 2.31 C ATOM 1901 CG ARG B 58 6.179 -16.587 -3.078 1.00 32.45 C ATOM 1902 CD ARG B 58 5.665 -16.106 -1.730 1.00 72.20 C ATOM 1903 NE ARG B 58 6.162 -16.927 -0.630 1.00 42.41 N ATOM 1904 CZ ARG B 58 5.785 -16.768 0.634 1.00 31.15 C ATOM 1905 NH1 ARG B 58 4.910 -15.825 0.955 1.00 13.23 N ATOM 1906 NH2 ARG B 58 6.282 -17.555 1.581 1.00 72.34 N ATOM 0 H ARG B 58 8.146 -17.177 -1.974 1.00 60.55 H new ATOM 0 HA ARG B 58 7.480 -19.791 -3.000 1.00 72.22 H new ATOM 0 HB2 ARG B 58 5.588 -18.399 -4.053 1.00 2.31 H new ATOM 0 HB3 ARG B 58 5.636 -18.508 -2.305 1.00 2.31 H new ATOM 0 HG2 ARG B 58 7.196 -16.225 -3.231 1.00 32.45 H new ATOM 0 HG3 ARG B 58 5.567 -16.164 -3.874 1.00 32.45 H new ATOM 0 HD2 ARG B 58 5.968 -15.071 -1.575 1.00 72.20 H new ATOM 0 HD3 ARG B 58 4.575 -16.122 -1.731 1.00 72.20 H new ATOM 0 HE ARG B 58 6.835 -17.663 -0.843 1.00 42.41 H new ATOM 0 HH11 ARG B 58 4.524 -15.219 0.231 1.00 13.23 H new ATOM 0 HH12 ARG B 58 4.622 -15.705 1.926 1.00 13.23 H new ATOM 0 HH21 ARG B 58 6.954 -18.283 1.338 1.00 72.34 H new ATOM 0 HH22 ARG B 58 5.992 -17.432 2.551 1.00 72.34 H new ATOM 1920 N LEU B 59 9.019 -17.662 -4.857 1.00 54.14 N ATOM 1921 CA LEU B 59 9.623 -17.435 -6.165 1.00 43.00 C ATOM 1922 C LEU B 59 10.846 -18.324 -6.362 1.00 24.35 C ATOM 1923 O LEU B 59 10.783 -19.342 -7.053 1.00 52.00 O ATOM 1924 CB LEU B 59 10.018 -15.965 -6.318 1.00 62.55 C ATOM 1925 CG LEU B 59 10.805 -15.609 -7.582 1.00 21.04 C ATOM 1926 CD1 LEU B 59 10.101 -16.149 -8.817 1.00 45.23 C ATOM 1927 CD2 LEU B 59 10.991 -14.103 -7.687 1.00 44.03 C ATOM 0 H LEU B 59 9.361 -17.043 -4.122 1.00 54.14 H new ATOM 0 HA LEU B 59 8.886 -17.689 -6.927 1.00 43.00 H new ATOM 0 HB2 LEU B 59 9.111 -15.362 -6.297 1.00 62.55 H new ATOM 0 HB3 LEU B 59 10.612 -15.677 -5.451 1.00 62.55 H new ATOM 0 HG LEU B 59 11.789 -16.073 -7.518 1.00 21.04 H new ATOM 0 HD11 LEU B 59 10.674 -15.887 -9.706 1.00 45.23 H new ATOM 0 HD12 LEU B 59 10.020 -17.234 -8.744 1.00 45.23 H new ATOM 0 HD13 LEU B 59 9.104 -15.714 -8.887 1.00 45.23 H new ATOM 0 HD21 LEU B 59 11.552 -13.868 -8.591 1.00 44.03 H new ATOM 0 HD22 LEU B 59 10.016 -13.618 -7.729 1.00 44.03 H new ATOM 0 HD23 LEU B 59 11.538 -13.742 -6.816 1.00 44.03 H new ATOM 1939 N LYS B 60 11.959 -17.937 -5.748 1.00 15.22 N ATOM 1940 CA LYS B 60 13.196 -18.700 -5.851 1.00 22.13 C ATOM 1941 C LYS B 60 13.421 -19.544 -4.600 1.00 24.41 C ATOM 1942 O LYS B 60 12.574 -19.590 -3.708 1.00 72.41 O ATOM 1943 CB LYS B 60 14.384 -17.760 -6.064 1.00 21.21 C ATOM 1944 CG LYS B 60 14.426 -16.600 -5.084 1.00 61.32 C ATOM 1945 CD LYS B 60 14.236 -15.268 -5.788 1.00 40.22 C ATOM 1946 CE LYS B 60 15.556 -14.529 -5.948 1.00 32.01 C ATOM 1947 NZ LYS B 60 15.757 -14.049 -7.344 1.00 52.42 N ATOM 0 H LYS B 60 12.029 -17.098 -5.173 1.00 15.22 H new ATOM 0 HA LYS B 60 13.110 -19.368 -6.708 1.00 22.13 H new ATOM 0 HB2 LYS B 60 15.308 -18.331 -5.978 1.00 21.21 H new ATOM 0 HB3 LYS B 60 14.347 -17.366 -7.079 1.00 21.21 H new ATOM 0 HG2 LYS B 60 13.647 -16.729 -4.332 1.00 61.32 H new ATOM 0 HG3 LYS B 60 15.381 -16.601 -4.558 1.00 61.32 H new ATOM 0 HD2 LYS B 60 13.789 -15.434 -6.768 1.00 40.22 H new ATOM 0 HD3 LYS B 60 13.539 -14.651 -5.220 1.00 40.22 H new ATOM 0 HE2 LYS B 60 15.582 -13.680 -5.265 1.00 32.01 H new ATOM 0 HE3 LYS B 60 16.378 -15.188 -5.669 1.00 32.01 H new ATOM 0 HZ1 LYS B 60 16.667 -13.551 -7.412 1.00 52.42 H new ATOM 0 HZ2 LYS B 60 15.757 -14.861 -7.994 1.00 52.42 H new ATOM 0 HZ3 LYS B 60 14.987 -13.400 -7.602 1.00 52.42 H new ATOM 1961 N LYS B 61 14.570 -20.210 -4.539 1.00 73.12 N ATOM 1962 CA LYS B 61 14.909 -21.050 -3.397 1.00 74.31 C ATOM 1963 C LYS B 61 16.187 -20.563 -2.722 1.00 75.25 C ATOM 1964 O LYS B 61 17.223 -21.226 -2.779 1.00 70.44 O ATOM 1965 CB LYS B 61 15.076 -22.506 -3.840 1.00 13.42 C ATOM 1966 CG LYS B 61 16.002 -22.676 -5.031 1.00 60.11 C ATOM 1967 CD LYS B 61 15.263 -23.232 -6.237 1.00 70.11 C ATOM 1968 CE LYS B 61 15.266 -24.752 -6.241 1.00 21.14 C ATOM 1969 NZ LYS B 61 13.886 -25.310 -6.195 1.00 60.20 N ATOM 0 H LYS B 61 15.282 -20.184 -5.268 1.00 73.12 H new ATOM 0 HA LYS B 61 14.093 -20.987 -2.677 1.00 74.31 H new ATOM 0 HB2 LYS B 61 15.462 -23.089 -3.004 1.00 13.42 H new ATOM 0 HB3 LYS B 61 14.097 -22.916 -4.090 1.00 13.42 H new ATOM 0 HG2 LYS B 61 16.447 -21.715 -5.287 1.00 60.11 H new ATOM 0 HG3 LYS B 61 16.820 -23.345 -4.764 1.00 60.11 H new ATOM 0 HD2 LYS B 61 14.235 -22.869 -6.234 1.00 70.11 H new ATOM 0 HD3 LYS B 61 15.728 -22.864 -7.151 1.00 70.11 H new ATOM 0 HE2 LYS B 61 15.773 -25.112 -7.136 1.00 21.14 H new ATOM 0 HE3 LYS B 61 15.834 -25.116 -5.385 1.00 21.14 H new ATOM 0 HZ1 LYS B 61 13.931 -26.349 -6.199 1.00 60.20 H new ATOM 0 HZ2 LYS B 61 13.410 -24.988 -5.328 1.00 60.20 H new ATOM 0 HZ3 LYS B 61 13.352 -24.983 -7.025 1.00 60.20 H new ATOM 1983 N LEU B 62 16.106 -19.400 -2.083 1.00 24.52 N ATOM 1984 CA LEU B 62 17.257 -18.825 -1.396 1.00 4.31 C ATOM 1985 C LEU B 62 17.739 -19.742 -0.277 1.00 14.24 C ATOM 1986 O LEU B 62 18.689 -19.393 0.421 1.00 52.51 O ATOM 1987 CB LEU B 62 16.901 -17.451 -0.826 1.00 74.44 C ATOM 1988 CG LEU B 62 16.529 -16.376 -1.849 1.00 62.40 C ATOM 1989 CD1 LEU B 62 16.289 -15.042 -1.158 1.00 73.33 C ATOM 1990 CD2 LEU B 62 17.619 -16.244 -2.903 1.00 31.11 C ATOM 0 H LEU B 62 15.257 -18.838 -2.027 1.00 24.52 H new ATOM 0 HA LEU B 62 18.063 -18.714 -2.122 1.00 4.31 H new ATOM 0 HB2 LEU B 62 16.066 -17.571 -0.135 1.00 74.44 H new ATOM 0 HB3 LEU B 62 17.748 -17.091 -0.242 1.00 74.44 H new ATOM 0 HG LEU B 62 15.606 -16.676 -2.345 1.00 62.40 H new ATOM 0 HD11 LEU B 62 16.026 -14.289 -1.901 1.00 73.33 H new ATOM 0 HD12 LEU B 62 15.474 -15.145 -0.441 1.00 73.33 H new ATOM 0 HD13 LEU B 62 17.195 -14.735 -0.636 1.00 73.33 H new ATOM 0 HD21 LEU B 62 17.338 -15.475 -3.623 1.00 31.11 H new ATOM 0 HD22 LEU B 62 18.557 -15.966 -2.423 1.00 31.11 H new ATOM 0 HD23 LEU B 62 17.743 -17.196 -3.419 1.00 31.11 H new TER 2002 LEU B 62 HETATM 2003 F1 HLT A 101 0.355 0.726 1.066 1.00 72.40 F HETATM 2004 C2 HLT A 101 0.707 0.856 -0.244 1.00 1.43 C HETATM 2005 F2 HLT A 101 1.254 2.093 -0.420 1.00 65.14 F HETATM 2006 F3 HLT A 101 1.645 -0.082 -0.540 1.00 21.35 F HETATM 2007 C1 HLT A 101 -0.580 0.697 -1.170 1.00 11.02 C HETATM 2008 BR HLT A 101 -0.116 0.937 -2.969 1.00 64.21 BR HETATM 2009 CL HLT A 101 -1.311 -0.888 -0.861 1.00 54.43 CL