USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 GLN : amide:sc= -1.37 K(o=-1.8,f=-5.2!) USER MOD Set 1.2: A 73 ASN : amide:sc= -0.599 K(o=-1.8,f=-2.7) USER MOD Set 1.3: A 76 LYS NZ :NH3+ 145:sc= 0.151 (180deg=-0.891) USER MOD Single : A 23 HIS : no HE2:sc= -0.607 K(o=-0.61,f=-3.8!) USER MOD Single : A 25 TYR OH : rot -158:sc= 0.414 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -175:sc= -1.62 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.131 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -110:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0604 USER MOD Single : A 47 TYR OH : rot 60:sc= -3.46 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc=-0.00648 (180deg=-0.119) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00489 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 20 18.284 -9.186 20.676 1.00 2.03 N ATOM 2 CA LEU A 20 17.254 -8.699 19.766 1.00 71.05 C ATOM 3 C LEU A 20 16.569 -9.857 19.048 1.00 63.22 C ATOM 4 O LEU A 20 17.095 -10.968 18.969 1.00 73.24 O ATOM 5 CB LEU A 20 17.862 -7.738 18.744 1.00 61.40 C ATOM 6 CG LEU A 20 17.669 -6.247 19.024 1.00 14.24 C ATOM 7 CD1 LEU A 20 18.957 -5.631 19.545 1.00 42.51 C ATOM 8 CD2 LEU A 20 17.198 -5.525 17.771 1.00 23.12 C ATOM 0 HA LEU A 20 16.506 -8.168 20.355 1.00 71.05 H new ATOM 0 HB2 LEU A 20 18.931 -7.939 18.678 1.00 61.40 H new ATOM 0 HB3 LEU A 20 17.435 -7.962 17.766 1.00 61.40 H new ATOM 0 HG LEU A 20 16.902 -6.137 19.791 1.00 14.24 H new ATOM 0 HD11 LEU A 20 18.800 -4.570 19.739 1.00 42.51 H new ATOM 0 HD12 LEU A 20 19.251 -6.129 20.469 1.00 42.51 H new ATOM 0 HD13 LEU A 20 19.745 -5.752 18.802 1.00 42.51 H new ATOM 0 HD21 LEU A 20 17.066 -4.465 17.990 1.00 23.12 H new ATOM 0 HD22 LEU A 20 17.941 -5.643 16.982 1.00 23.12 H new ATOM 0 HD23 LEU A 20 16.249 -5.948 17.442 1.00 23.12 H new ATOM 20 N PRO A 21 15.370 -9.593 18.509 1.00 71.52 N ATOM 21 CA PRO A 21 14.588 -10.600 17.785 1.00 23.52 C ATOM 22 C PRO A 21 15.218 -10.970 16.446 1.00 50.11 C ATOM 23 O PRO A 21 15.674 -10.101 15.704 1.00 22.32 O ATOM 24 CB PRO A 21 13.237 -9.915 17.569 1.00 5.31 C ATOM 25 CG PRO A 21 13.544 -8.457 17.597 1.00 42.01 C ATOM 26 CD PRO A 21 14.683 -8.292 18.565 1.00 44.12 C ATOM 0 HA PRO A 21 14.521 -11.538 18.337 1.00 23.52 H new ATOM 0 HB2 PRO A 21 12.792 -10.208 16.618 1.00 5.31 H new ATOM 0 HB3 PRO A 21 12.526 -10.185 18.350 1.00 5.31 H new ATOM 0 HG2 PRO A 21 13.819 -8.097 16.606 1.00 42.01 H new ATOM 0 HG3 PRO A 21 12.675 -7.881 17.915 1.00 42.01 H new ATOM 0 HD2 PRO A 21 15.344 -7.476 18.273 1.00 44.12 H new ATOM 0 HD3 PRO A 21 14.327 -8.069 19.571 1.00 44.12 H new ATOM 34 N ALA A 22 15.237 -12.263 16.143 1.00 22.04 N ATOM 35 CA ALA A 22 15.809 -12.747 14.892 1.00 75.34 C ATOM 36 C ALA A 22 14.824 -13.642 14.148 1.00 54.33 C ATOM 37 O ALA A 22 13.848 -14.124 14.726 1.00 5.12 O ATOM 38 CB ALA A 22 17.106 -13.495 15.158 1.00 2.23 C ATOM 0 H ALA A 22 14.863 -12.995 16.747 1.00 22.04 H new ATOM 0 HA ALA A 22 16.023 -11.884 14.262 1.00 75.34 H new ATOM 0 HB1 ALA A 22 17.521 -13.850 14.215 1.00 2.23 H new ATOM 0 HB2 ALA A 22 17.819 -12.826 15.640 1.00 2.23 H new ATOM 0 HB3 ALA A 22 16.908 -14.345 15.811 1.00 2.23 H new ATOM 44 N HIS A 23 15.082 -13.860 12.863 1.00 43.43 N ATOM 45 CA HIS A 23 14.217 -14.697 12.040 1.00 64.31 C ATOM 46 C HIS A 23 14.978 -15.909 11.510 1.00 51.03 C ATOM 47 O HIS A 23 16.177 -15.848 11.236 1.00 72.31 O ATOM 48 CB HIS A 23 13.648 -13.888 10.874 1.00 51.14 C ATOM 49 CG HIS A 23 13.041 -12.583 11.289 1.00 25.13 C ATOM 50 ND1 HIS A 23 11.919 -12.494 12.087 1.00 22.52 N ATOM 51 CD2 HIS A 23 13.408 -11.309 11.016 1.00 72.33 C ATOM 52 CE1 HIS A 23 11.621 -11.223 12.283 1.00 51.23 C ATOM 53 NE2 HIS A 23 12.510 -10.483 11.645 1.00 72.32 N ATOM 0 H HIS A 23 15.884 -13.468 12.369 1.00 43.43 H new ATOM 0 HA HIS A 23 13.395 -15.050 12.663 1.00 64.31 H new ATOM 0 HB2 HIS A 23 14.443 -13.696 10.153 1.00 51.14 H new ATOM 0 HB3 HIS A 23 12.892 -14.485 10.363 1.00 51.14 H new ATOM 0 HD1 HIS A 23 11.401 -13.286 12.466 1.00 22.52 H new ATOM 0 HD2 HIS A 23 14.251 -11.000 10.415 1.00 72.33 H new ATOM 0 HE1 HIS A 23 10.791 -10.851 12.866 1.00 51.23 H new ATOM 61 N PRO A 24 14.267 -17.037 11.363 1.00 11.32 N ATOM 62 CA PRO A 24 14.855 -18.283 10.866 1.00 24.34 C ATOM 63 C PRO A 24 15.219 -18.204 9.387 1.00 54.11 C ATOM 64 O PRO A 24 14.681 -17.377 8.649 1.00 12.03 O ATOM 65 CB PRO A 24 13.745 -19.313 11.089 1.00 52.10 C ATOM 66 CG PRO A 24 12.485 -18.519 11.081 1.00 63.43 C ATOM 67 CD PRO A 24 12.834 -17.182 11.671 1.00 43.35 C ATOM 0 HA PRO A 24 15.788 -18.524 11.375 1.00 24.34 H new ATOM 0 HB2 PRO A 24 13.742 -20.068 10.303 1.00 52.10 H new ATOM 0 HB3 PRO A 24 13.876 -19.838 12.035 1.00 52.10 H new ATOM 0 HG2 PRO A 24 12.099 -18.409 10.067 1.00 63.43 H new ATOM 0 HG3 PRO A 24 11.709 -19.013 11.666 1.00 63.43 H new ATOM 0 HD2 PRO A 24 12.244 -16.380 11.226 1.00 43.35 H new ATOM 0 HD3 PRO A 24 12.649 -17.156 12.745 1.00 43.35 H new ATOM 75 N TYR A 25 16.133 -19.068 8.960 1.00 4.42 N ATOM 76 CA TYR A 25 16.569 -19.094 7.569 1.00 3.23 C ATOM 77 C TYR A 25 15.441 -19.556 6.652 1.00 13.42 C ATOM 78 O TYR A 25 15.329 -19.107 5.512 1.00 61.41 O ATOM 79 CB TYR A 25 17.781 -20.014 7.409 1.00 35.12 C ATOM 80 CG TYR A 25 18.272 -20.126 5.984 1.00 5.25 C ATOM 81 CD1 TYR A 25 17.717 -21.050 5.107 1.00 24.24 C ATOM 82 CD2 TYR A 25 19.292 -19.308 5.514 1.00 64.41 C ATOM 83 CE1 TYR A 25 18.164 -21.157 3.805 1.00 63.24 C ATOM 84 CE2 TYR A 25 19.745 -19.407 4.213 1.00 71.55 C ATOM 85 CZ TYR A 25 19.177 -20.333 3.362 1.00 42.54 C ATOM 86 OH TYR A 25 19.625 -20.434 2.064 1.00 21.54 O ATOM 0 H TYR A 25 16.586 -19.760 9.557 1.00 4.42 H new ATOM 0 HA TYR A 25 16.851 -18.080 7.285 1.00 3.23 H new ATOM 0 HB2 TYR A 25 18.592 -19.644 8.036 1.00 35.12 H new ATOM 0 HB3 TYR A 25 17.523 -21.008 7.775 1.00 35.12 H new ATOM 0 HD1 TYR A 25 16.922 -21.696 5.450 1.00 24.24 H new ATOM 0 HD2 TYR A 25 19.738 -18.582 6.178 1.00 64.41 H new ATOM 0 HE1 TYR A 25 17.723 -21.882 3.137 1.00 63.24 H new ATOM 0 HE2 TYR A 25 20.539 -18.764 3.864 1.00 71.55 H new ATOM 0 HH TYR A 25 20.531 -20.066 2.001 1.00 21.54 H new ATOM 96 N ASP A 26 14.605 -20.456 7.160 1.00 0.54 N ATOM 97 CA ASP A 26 13.483 -20.979 6.390 1.00 1.44 C ATOM 98 C ASP A 26 12.520 -19.860 6.007 1.00 72.14 C ATOM 99 O ASP A 26 11.814 -19.953 5.003 1.00 61.44 O ATOM 100 CB ASP A 26 12.746 -22.054 7.189 1.00 55.31 C ATOM 101 CG ASP A 26 12.494 -23.309 6.377 1.00 0.34 C ATOM 102 OD1 ASP A 26 12.040 -23.187 5.220 1.00 10.42 O ATOM 103 OD2 ASP A 26 12.754 -24.413 6.899 1.00 73.45 O ATOM 0 H ASP A 26 14.684 -20.838 8.102 1.00 0.54 H new ATOM 0 HA ASP A 26 13.876 -21.424 5.476 1.00 1.44 H new ATOM 0 HB2 ASP A 26 13.329 -22.309 8.074 1.00 55.31 H new ATOM 0 HB3 ASP A 26 11.794 -21.654 7.539 1.00 55.31 H new ATOM 108 N ARG A 27 12.495 -18.804 6.814 1.00 71.43 N ATOM 109 CA ARG A 27 11.615 -17.670 6.560 1.00 63.04 C ATOM 110 C ARG A 27 12.353 -16.568 5.804 1.00 25.51 C ATOM 111 O ARG A 27 11.733 -15.696 5.193 1.00 30.35 O ATOM 112 CB ARG A 27 11.065 -17.118 7.877 1.00 22.45 C ATOM 113 CG ARG A 27 10.024 -18.016 8.525 1.00 3.12 C ATOM 114 CD ARG A 27 8.691 -17.937 7.799 1.00 70.24 C ATOM 115 NE ARG A 27 7.754 -17.039 8.468 1.00 45.24 N ATOM 116 CZ ARG A 27 6.465 -16.959 8.160 1.00 42.41 C ATOM 117 NH1 ARG A 27 5.960 -17.720 7.199 1.00 3.43 N ATOM 118 NH2 ARG A 27 5.676 -16.116 8.815 1.00 21.50 N ATOM 0 H ARG A 27 13.074 -18.710 7.649 1.00 71.43 H new ATOM 0 HA ARG A 27 10.785 -18.017 5.945 1.00 63.04 H new ATOM 0 HB2 ARG A 27 11.891 -16.972 8.573 1.00 22.45 H new ATOM 0 HB3 ARG A 27 10.624 -16.138 7.695 1.00 22.45 H new ATOM 0 HG2 ARG A 27 10.380 -19.046 8.524 1.00 3.12 H new ATOM 0 HG3 ARG A 27 9.890 -17.726 9.567 1.00 3.12 H new ATOM 0 HD2 ARG A 27 8.855 -17.594 6.777 1.00 70.24 H new ATOM 0 HD3 ARG A 27 8.254 -18.934 7.734 1.00 70.24 H new ATOM 0 HE ARG A 27 8.109 -16.440 9.213 1.00 45.24 H new ATOM 0 HH11 ARG A 27 6.562 -18.370 6.693 1.00 3.43 H new ATOM 0 HH12 ARG A 27 4.969 -17.656 6.965 1.00 3.43 H new ATOM 0 HH21 ARG A 27 6.060 -15.529 9.556 1.00 21.50 H new ATOM 0 HH22 ARG A 27 4.686 -16.055 8.578 1.00 21.50 H new ATOM 132 N LEU A 28 13.680 -16.615 5.850 1.00 45.04 N ATOM 133 CA LEU A 28 14.504 -15.620 5.169 1.00 34.35 C ATOM 134 C LEU A 28 14.896 -16.100 3.776 1.00 25.34 C ATOM 135 O LEU A 28 15.318 -17.243 3.597 1.00 63.22 O ATOM 136 CB LEU A 28 15.759 -15.321 5.990 1.00 12.42 C ATOM 137 CG LEU A 28 15.622 -14.230 7.053 1.00 10.21 C ATOM 138 CD1 LEU A 28 16.507 -14.537 8.251 1.00 55.23 C ATOM 139 CD2 LEU A 28 15.967 -12.869 6.467 1.00 44.42 C ATOM 0 H LEU A 28 14.208 -17.330 6.350 1.00 45.04 H new ATOM 0 HA LEU A 28 13.918 -14.707 5.067 1.00 34.35 H new ATOM 0 HB2 LEU A 28 16.075 -16.241 6.481 1.00 12.42 H new ATOM 0 HB3 LEU A 28 16.557 -15.035 5.305 1.00 12.42 H new ATOM 0 HG LEU A 28 14.586 -14.206 7.390 1.00 10.21 H new ATOM 0 HD11 LEU A 28 16.396 -13.750 8.997 1.00 55.23 H new ATOM 0 HD12 LEU A 28 16.213 -15.492 8.685 1.00 55.23 H new ATOM 0 HD13 LEU A 28 17.548 -14.589 7.931 1.00 55.23 H new ATOM 0 HD21 LEU A 28 15.864 -12.105 7.237 1.00 44.42 H new ATOM 0 HD22 LEU A 28 16.994 -12.880 6.101 1.00 44.42 H new ATOM 0 HD23 LEU A 28 15.291 -12.646 5.642 1.00 44.42 H new ATOM 151 N LYS A 29 14.757 -15.219 2.791 1.00 64.12 N ATOM 152 CA LYS A 29 15.100 -15.550 1.413 1.00 22.14 C ATOM 153 C LYS A 29 16.006 -14.482 0.806 1.00 11.11 C ATOM 154 O LYS A 29 15.957 -13.315 1.198 1.00 30.35 O ATOM 155 CB LYS A 29 13.831 -15.696 0.571 1.00 21.43 C ATOM 156 CG LYS A 29 13.874 -16.868 -0.395 1.00 53.02 C ATOM 157 CD LYS A 29 12.553 -17.620 -0.416 1.00 70.53 C ATOM 158 CE LYS A 29 12.224 -18.127 -1.813 1.00 2.04 C ATOM 159 NZ LYS A 29 11.629 -17.061 -2.665 1.00 24.02 N ATOM 0 H LYS A 29 14.409 -14.269 2.922 1.00 64.12 H new ATOM 0 HA LYS A 29 15.637 -16.498 1.416 1.00 22.14 H new ATOM 0 HB2 LYS A 29 12.975 -15.815 1.236 1.00 21.43 H new ATOM 0 HB3 LYS A 29 13.671 -14.777 0.007 1.00 21.43 H new ATOM 0 HG2 LYS A 29 14.104 -16.507 -1.397 1.00 53.02 H new ATOM 0 HG3 LYS A 29 14.677 -17.548 -0.109 1.00 53.02 H new ATOM 0 HD2 LYS A 29 12.600 -18.461 0.276 1.00 70.53 H new ATOM 0 HD3 LYS A 29 11.754 -16.965 -0.068 1.00 70.53 H new ATOM 0 HE2 LYS A 29 13.131 -18.505 -2.285 1.00 2.04 H new ATOM 0 HE3 LYS A 29 11.530 -18.964 -1.741 1.00 2.04 H new ATOM 0 HZ1 LYS A 29 11.419 -17.447 -3.608 1.00 24.02 H new ATOM 0 HZ2 LYS A 29 10.750 -16.718 -2.228 1.00 24.02 H new ATOM 0 HZ3 LYS A 29 12.301 -16.273 -2.755 1.00 24.02 H new ATOM 173 N THR A 30 16.830 -14.889 -0.154 1.00 3.45 N ATOM 174 CA THR A 30 17.746 -13.967 -0.814 1.00 61.01 C ATOM 175 C THR A 30 17.021 -12.710 -1.280 1.00 71.11 C ATOM 176 O THR A 30 17.538 -11.600 -1.155 1.00 52.15 O ATOM 177 CB THR A 30 18.432 -14.628 -2.024 1.00 24.31 C ATOM 178 OG1 THR A 30 18.336 -16.054 -1.924 1.00 72.13 O ATOM 179 CG2 THR A 30 19.895 -14.220 -2.108 1.00 43.41 C ATOM 0 H THR A 30 16.882 -15.850 -0.492 1.00 3.45 H new ATOM 0 HA THR A 30 18.504 -13.694 -0.079 1.00 61.01 H new ATOM 0 HB THR A 30 17.924 -14.292 -2.928 1.00 24.31 H new ATOM 0 HG1 THR A 30 18.841 -16.468 -2.655 1.00 72.13 H new ATOM 0 HG21 THR A 30 20.358 -14.700 -2.971 1.00 43.41 H new ATOM 0 HG22 THR A 30 19.965 -13.137 -2.214 1.00 43.41 H new ATOM 0 HG23 THR A 30 20.412 -14.530 -1.200 1.00 43.41 H new ATOM 187 N THR A 31 15.819 -12.892 -1.818 1.00 74.23 N ATOM 188 CA THR A 31 15.021 -11.772 -2.303 1.00 64.52 C ATOM 189 C THR A 31 13.616 -11.802 -1.715 1.00 55.22 C ATOM 190 O THR A 31 12.632 -11.582 -2.421 1.00 34.02 O ATOM 191 CB THR A 31 14.922 -11.778 -3.841 1.00 12.52 C ATOM 192 OG1 THR A 31 14.573 -13.087 -4.304 1.00 11.13 O ATOM 193 CG2 THR A 31 16.239 -11.346 -4.469 1.00 74.13 C ATOM 0 H THR A 31 15.377 -13.804 -1.929 1.00 74.23 H new ATOM 0 HA THR A 31 15.526 -10.861 -1.982 1.00 64.52 H new ATOM 0 HB THR A 31 14.147 -11.070 -4.137 1.00 12.52 H new ATOM 0 HG1 THR A 31 14.510 -13.082 -5.282 1.00 11.13 H new ATOM 0 HG21 THR A 31 16.145 -11.358 -5.555 1.00 74.13 H new ATOM 0 HG22 THR A 31 16.487 -10.338 -4.137 1.00 74.13 H new ATOM 0 HG23 THR A 31 17.029 -12.033 -4.165 1.00 74.13 H new ATOM 201 N SER A 32 13.528 -12.074 -0.416 1.00 22.54 N ATOM 202 CA SER A 32 12.242 -12.135 0.267 1.00 12.12 C ATOM 203 C SER A 32 11.792 -10.744 0.703 1.00 32.43 C ATOM 204 O SER A 32 12.614 -9.864 0.960 1.00 74.24 O ATOM 205 CB SER A 32 12.330 -13.060 1.483 1.00 10.20 C ATOM 206 OG SER A 32 11.584 -12.543 2.571 1.00 20.05 O ATOM 0 H SER A 32 14.333 -12.256 0.184 1.00 22.54 H new ATOM 0 HA SER A 32 11.506 -12.534 -0.431 1.00 12.12 H new ATOM 0 HB2 SER A 32 11.956 -14.049 1.219 1.00 10.20 H new ATOM 0 HB3 SER A 32 13.373 -13.181 1.777 1.00 10.20 H new ATOM 0 HG SER A 32 11.655 -13.153 3.335 1.00 20.05 H new ATOM 212 N THR A 33 10.478 -10.553 0.785 1.00 62.11 N ATOM 213 CA THR A 33 9.917 -9.271 1.189 1.00 43.34 C ATOM 214 C THR A 33 9.135 -9.397 2.491 1.00 12.20 C ATOM 215 O THR A 33 8.484 -8.450 2.930 1.00 54.01 O ATOM 216 CB THR A 33 8.990 -8.695 0.101 1.00 71.22 C ATOM 217 OG1 THR A 33 8.160 -9.732 -0.434 1.00 14.33 O ATOM 218 CG2 THR A 33 9.800 -8.060 -1.020 1.00 73.10 C ATOM 0 H THR A 33 9.784 -11.271 0.577 1.00 62.11 H new ATOM 0 HA THR A 33 10.757 -8.593 1.338 1.00 43.34 H new ATOM 0 HB THR A 33 8.365 -7.927 0.557 1.00 71.22 H new ATOM 0 HG1 THR A 33 7.573 -9.358 -1.123 1.00 14.33 H new ATOM 0 HG21 THR A 33 9.124 -7.661 -1.776 1.00 73.10 H new ATOM 0 HG22 THR A 33 10.410 -7.252 -0.616 1.00 73.10 H new ATOM 0 HG23 THR A 33 10.447 -8.812 -1.472 1.00 73.10 H new ATOM 226 N ASP A 34 9.205 -10.574 3.105 1.00 40.31 N ATOM 227 CA ASP A 34 8.504 -10.824 4.359 1.00 15.01 C ATOM 228 C ASP A 34 8.814 -9.735 5.381 1.00 55.23 C ATOM 229 O ASP A 34 9.791 -8.996 5.260 1.00 0.43 O ATOM 230 CB ASP A 34 8.892 -12.193 4.920 1.00 20.33 C ATOM 231 CG ASP A 34 7.953 -13.292 4.465 1.00 74.41 C ATOM 232 OD1 ASP A 34 7.027 -13.638 5.230 1.00 4.43 O ATOM 233 OD2 ASP A 34 8.143 -13.807 3.343 1.00 74.30 O ATOM 0 H ASP A 34 9.740 -11.369 2.755 1.00 40.31 H new ATOM 0 HA ASP A 34 7.433 -10.813 4.157 1.00 15.01 H new ATOM 0 HB2 ASP A 34 9.908 -12.435 4.609 1.00 20.33 H new ATOM 0 HB3 ASP A 34 8.894 -12.149 6.009 1.00 20.33 H new ATOM 238 N PRO A 35 7.962 -9.631 6.412 1.00 72.01 N ATOM 239 CA PRO A 35 8.124 -8.635 7.476 1.00 75.23 C ATOM 240 C PRO A 35 9.324 -8.931 8.369 1.00 52.55 C ATOM 241 O PRO A 35 9.800 -10.064 8.430 1.00 42.50 O ATOM 242 CB PRO A 35 6.822 -8.752 8.271 1.00 12.45 C ATOM 243 CG PRO A 35 6.348 -10.142 8.021 1.00 35.02 C ATOM 244 CD PRO A 35 6.776 -10.479 6.620 1.00 61.33 C ATOM 0 HA PRO A 35 8.307 -7.637 7.077 1.00 75.23 H new ATOM 0 HB2 PRO A 35 6.990 -8.576 9.334 1.00 12.45 H new ATOM 0 HB3 PRO A 35 6.088 -8.018 7.939 1.00 12.45 H new ATOM 0 HG2 PRO A 35 6.782 -10.837 8.740 1.00 35.02 H new ATOM 0 HG3 PRO A 35 5.265 -10.210 8.125 1.00 35.02 H new ATOM 0 HD2 PRO A 35 7.016 -11.537 6.517 1.00 61.33 H new ATOM 0 HD3 PRO A 35 5.992 -10.258 5.896 1.00 61.33 H new ATOM 252 N VAL A 36 9.807 -7.904 9.062 1.00 55.31 N ATOM 253 CA VAL A 36 10.949 -8.054 9.954 1.00 22.44 C ATOM 254 C VAL A 36 10.732 -7.295 11.258 1.00 20.14 C ATOM 255 O VAL A 36 9.752 -6.567 11.408 1.00 12.22 O ATOM 256 CB VAL A 36 12.248 -7.554 9.292 1.00 34.43 C ATOM 257 CG1 VAL A 36 12.825 -8.622 8.375 1.00 74.30 C ATOM 258 CG2 VAL A 36 11.993 -6.264 8.528 1.00 71.31 C ATOM 0 H VAL A 36 9.424 -6.959 9.022 1.00 55.31 H new ATOM 0 HA VAL A 36 11.045 -9.118 10.168 1.00 22.44 H new ATOM 0 HB VAL A 36 12.979 -7.348 10.074 1.00 34.43 H new ATOM 0 HG11 VAL A 36 13.742 -8.251 7.916 1.00 74.30 H new ATOM 0 HG12 VAL A 36 13.046 -9.518 8.954 1.00 74.30 H new ATOM 0 HG13 VAL A 36 12.101 -8.863 7.596 1.00 74.30 H new ATOM 0 HG21 VAL A 36 12.921 -5.925 8.067 1.00 71.31 H new ATOM 0 HG22 VAL A 36 11.246 -6.441 7.754 1.00 71.31 H new ATOM 0 HG23 VAL A 36 11.629 -5.500 9.215 1.00 71.31 H new ATOM 268 N SER A 37 11.655 -7.472 12.200 1.00 54.12 N ATOM 269 CA SER A 37 11.562 -6.806 13.494 1.00 64.14 C ATOM 270 C SER A 37 12.189 -5.416 13.435 1.00 2.14 C ATOM 271 O SER A 37 12.426 -4.785 14.467 1.00 34.22 O ATOM 272 CB SER A 37 12.251 -7.644 14.572 1.00 2.30 C ATOM 273 OG SER A 37 11.324 -8.492 15.228 1.00 4.34 O ATOM 0 H SER A 37 12.474 -8.070 12.091 1.00 54.12 H new ATOM 0 HA SER A 37 10.507 -6.699 13.746 1.00 64.14 H new ATOM 0 HB2 SER A 37 13.042 -8.244 14.121 1.00 2.30 H new ATOM 0 HB3 SER A 37 12.726 -6.986 15.300 1.00 2.30 H new ATOM 0 HG SER A 37 11.187 -8.179 16.146 1.00 4.34 H new ATOM 279 N ASP A 38 12.458 -4.945 12.222 1.00 12.14 N ATOM 280 CA ASP A 38 13.057 -3.630 12.028 1.00 13.54 C ATOM 281 C ASP A 38 14.505 -3.617 12.505 1.00 21.33 C ATOM 282 O ASP A 38 14.812 -3.093 13.576 1.00 52.10 O ATOM 283 CB ASP A 38 12.252 -2.564 12.773 1.00 3.22 C ATOM 284 CG ASP A 38 10.761 -2.840 12.746 1.00 21.31 C ATOM 285 OD1 ASP A 38 10.185 -2.880 11.639 1.00 61.24 O ATOM 286 OD2 ASP A 38 10.171 -3.017 13.832 1.00 31.04 O ATOM 0 H ASP A 38 12.271 -5.455 11.358 1.00 12.14 H new ATOM 0 HA ASP A 38 13.043 -3.405 10.961 1.00 13.54 H new ATOM 0 HB2 ASP A 38 12.591 -2.514 13.808 1.00 3.22 H new ATOM 0 HB3 ASP A 38 12.446 -1.589 12.327 1.00 3.22 H new ATOM 291 N ILE A 39 15.392 -4.198 11.704 1.00 11.42 N ATOM 292 CA ILE A 39 16.808 -4.253 12.044 1.00 33.13 C ATOM 293 C ILE A 39 17.674 -3.814 10.868 1.00 4.23 C ATOM 294 O ILE A 39 17.166 -3.333 9.856 1.00 61.22 O ATOM 295 CB ILE A 39 17.229 -5.671 12.476 1.00 65.03 C ATOM 296 CG1 ILE A 39 16.141 -6.682 12.111 1.00 35.04 C ATOM 297 CG2 ILE A 39 17.515 -5.707 13.970 1.00 52.13 C ATOM 298 CD1 ILE A 39 14.998 -6.724 13.102 1.00 21.55 C ATOM 0 H ILE A 39 15.155 -4.637 10.815 1.00 11.42 H new ATOM 0 HA ILE A 39 16.958 -3.568 12.878 1.00 33.13 H new ATOM 0 HB ILE A 39 18.142 -5.941 11.945 1.00 65.03 H new ATOM 0 HG12 ILE A 39 15.747 -6.439 11.124 1.00 35.04 H new ATOM 0 HG13 ILE A 39 16.587 -7.674 12.041 1.00 35.04 H new ATOM 0 HG21 ILE A 39 17.811 -6.715 14.260 1.00 52.13 H new ATOM 0 HG22 ILE A 39 18.321 -5.011 14.203 1.00 52.13 H new ATOM 0 HG23 ILE A 39 16.618 -5.420 14.519 1.00 52.13 H new ATOM 0 HD11 ILE A 39 14.264 -7.463 12.780 1.00 21.55 H new ATOM 0 HD12 ILE A 39 15.379 -6.997 14.086 1.00 21.55 H new ATOM 0 HD13 ILE A 39 14.526 -5.743 13.155 1.00 21.55 H new ATOM 310 N ASP A 40 18.984 -3.984 11.009 1.00 33.01 N ATOM 311 CA ASP A 40 19.922 -3.608 9.958 1.00 53.31 C ATOM 312 C ASP A 40 19.452 -4.124 8.601 1.00 33.43 C ATOM 313 O ASP A 40 19.665 -5.288 8.260 1.00 11.44 O ATOM 314 CB ASP A 40 21.316 -4.152 10.270 1.00 62.41 C ATOM 315 CG ASP A 40 21.881 -3.590 11.559 1.00 2.05 C ATOM 316 OD1 ASP A 40 22.896 -2.863 11.496 1.00 71.13 O ATOM 317 OD2 ASP A 40 21.310 -3.875 12.632 1.00 33.45 O ATOM 0 H ASP A 40 19.421 -4.380 11.841 1.00 33.01 H new ATOM 0 HA ASP A 40 19.967 -2.520 9.917 1.00 53.31 H new ATOM 0 HB2 ASP A 40 21.272 -5.239 10.340 1.00 62.41 H new ATOM 0 HB3 ASP A 40 21.989 -3.913 9.447 1.00 62.41 H new ATOM 322 N VAL A 41 18.811 -3.251 7.830 1.00 33.14 N ATOM 323 CA VAL A 41 18.311 -3.619 6.511 1.00 35.02 C ATOM 324 C VAL A 41 19.448 -4.062 5.597 1.00 15.02 C ATOM 325 O VAL A 41 19.328 -5.050 4.872 1.00 31.10 O ATOM 326 CB VAL A 41 17.561 -2.448 5.850 1.00 61.44 C ATOM 327 CG1 VAL A 41 17.105 -2.829 4.448 1.00 11.32 C ATOM 328 CG2 VAL A 41 16.378 -2.022 6.705 1.00 1.30 C ATOM 0 H VAL A 41 18.626 -2.284 8.096 1.00 33.14 H new ATOM 0 HA VAL A 41 17.619 -4.449 6.654 1.00 35.02 H new ATOM 0 HB VAL A 41 18.244 -1.603 5.768 1.00 61.44 H new ATOM 0 HG11 VAL A 41 16.577 -1.989 3.996 1.00 11.32 H new ATOM 0 HG12 VAL A 41 17.973 -3.081 3.839 1.00 11.32 H new ATOM 0 HG13 VAL A 41 16.438 -3.689 4.504 1.00 11.32 H new ATOM 0 HG21 VAL A 41 15.860 -1.193 6.222 1.00 1.30 H new ATOM 0 HG22 VAL A 41 15.692 -2.861 6.821 1.00 1.30 H new ATOM 0 HG23 VAL A 41 16.733 -1.706 7.686 1.00 1.30 H new ATOM 338 N THR A 42 20.553 -3.324 5.636 1.00 71.33 N ATOM 339 CA THR A 42 21.712 -3.640 4.810 1.00 10.04 C ATOM 340 C THR A 42 22.323 -4.979 5.209 1.00 74.20 C ATOM 341 O THR A 42 23.081 -5.577 4.446 1.00 20.14 O ATOM 342 CB THR A 42 22.790 -2.546 4.915 1.00 24.31 C ATOM 343 OG1 THR A 42 22.809 -2.000 6.239 1.00 43.12 O ATOM 344 CG2 THR A 42 22.535 -1.436 3.906 1.00 2.31 C ATOM 0 H THR A 42 20.670 -2.504 6.231 1.00 71.33 H new ATOM 0 HA THR A 42 21.360 -3.697 3.780 1.00 10.04 H new ATOM 0 HB THR A 42 23.757 -2.999 4.697 1.00 24.31 H new ATOM 0 HG1 THR A 42 23.499 -1.306 6.297 1.00 43.12 H new ATOM 0 HG21 THR A 42 23.309 -0.675 3.999 1.00 2.31 H new ATOM 0 HG22 THR A 42 22.552 -1.850 2.898 1.00 2.31 H new ATOM 0 HG23 THR A 42 21.560 -0.987 4.097 1.00 2.31 H new ATOM 352 N ARG A 43 21.986 -5.444 6.408 1.00 71.43 N ATOM 353 CA ARG A 43 22.502 -6.713 6.907 1.00 43.23 C ATOM 354 C ARG A 43 21.362 -7.673 7.234 1.00 74.12 C ATOM 355 O ARG A 43 21.343 -8.291 8.299 1.00 1.22 O ATOM 356 CB ARG A 43 23.362 -6.483 8.151 1.00 30.34 C ATOM 357 CG ARG A 43 24.627 -5.686 7.878 1.00 13.24 C ATOM 358 CD ARG A 43 24.747 -4.494 8.814 1.00 54.32 C ATOM 359 NE ARG A 43 26.138 -4.174 9.117 1.00 4.55 N ATOM 360 CZ ARG A 43 26.935 -3.501 8.294 1.00 0.34 C ATOM 361 NH1 ARG A 43 26.479 -3.080 7.123 1.00 41.35 N ATOM 362 NH2 ARG A 43 28.191 -3.249 8.642 1.00 52.45 N ATOM 0 H ARG A 43 21.358 -4.961 7.051 1.00 71.43 H new ATOM 0 HA ARG A 43 23.117 -7.160 6.125 1.00 43.23 H new ATOM 0 HB2 ARG A 43 22.768 -5.961 8.901 1.00 30.34 H new ATOM 0 HB3 ARG A 43 23.636 -7.448 8.577 1.00 30.34 H new ATOM 0 HG2 ARG A 43 25.497 -6.331 7.996 1.00 13.24 H new ATOM 0 HG3 ARG A 43 24.624 -5.340 6.844 1.00 13.24 H new ATOM 0 HD2 ARG A 43 24.266 -3.627 8.360 1.00 54.32 H new ATOM 0 HD3 ARG A 43 24.214 -4.706 9.741 1.00 54.32 H new ATOM 0 HE ARG A 43 26.520 -4.484 10.010 1.00 4.55 H new ATOM 0 HH11 ARG A 43 25.515 -3.272 6.852 1.00 41.35 H new ATOM 0 HH12 ARG A 43 27.092 -2.564 6.493 1.00 41.35 H new ATOM 0 HH21 ARG A 43 28.545 -3.572 9.542 1.00 52.45 H new ATOM 0 HH22 ARG A 43 28.802 -2.732 8.009 1.00 52.45 H new ATOM 376 N ARG A 44 20.412 -7.792 6.312 1.00 50.42 N ATOM 377 CA ARG A 44 19.267 -8.674 6.503 1.00 43.23 C ATOM 378 C ARG A 44 19.722 -10.075 6.899 1.00 12.04 C ATOM 379 O ARG A 44 19.094 -10.728 7.733 1.00 22.34 O ATOM 380 CB ARG A 44 18.429 -8.741 5.224 1.00 0.24 C ATOM 381 CG ARG A 44 17.192 -9.615 5.353 1.00 61.24 C ATOM 382 CD ARG A 44 15.918 -8.810 5.147 1.00 4.15 C ATOM 383 NE ARG A 44 14.734 -9.536 5.600 1.00 51.40 N ATOM 384 CZ ARG A 44 14.117 -10.462 4.874 1.00 14.51 C ATOM 385 NH1 ARG A 44 14.570 -10.774 3.669 1.00 60.43 N ATOM 386 NH2 ARG A 44 13.045 -11.077 5.356 1.00 20.24 N ATOM 0 H ARG A 44 20.413 -7.288 5.425 1.00 50.42 H new ATOM 0 HA ARG A 44 18.656 -8.267 7.309 1.00 43.23 H new ATOM 0 HB2 ARG A 44 18.124 -7.732 4.946 1.00 0.24 H new ATOM 0 HB3 ARG A 44 19.049 -9.121 4.412 1.00 0.24 H new ATOM 0 HG2 ARG A 44 17.237 -10.421 4.621 1.00 61.24 H new ATOM 0 HG3 ARG A 44 17.175 -10.080 6.339 1.00 61.24 H new ATOM 0 HD2 ARG A 44 15.994 -7.866 5.687 1.00 4.15 H new ATOM 0 HD3 ARG A 44 15.811 -8.565 4.090 1.00 4.15 H new ATOM 0 HE ARG A 44 14.361 -9.320 6.524 1.00 51.40 H new ATOM 0 HH11 ARG A 44 15.394 -10.303 3.296 1.00 60.43 H new ATOM 0 HH12 ARG A 44 14.094 -11.485 3.114 1.00 60.43 H new ATOM 0 HH21 ARG A 44 12.695 -10.839 6.284 1.00 20.24 H new ATOM 0 HH22 ARG A 44 12.571 -11.788 4.799 1.00 20.24 H new ATOM 400 N GLU A 45 20.816 -10.531 6.296 1.00 41.33 N ATOM 401 CA GLU A 45 21.353 -11.855 6.586 1.00 72.41 C ATOM 402 C GLU A 45 21.649 -12.008 8.075 1.00 75.14 C ATOM 403 O GLU A 45 21.566 -13.105 8.626 1.00 63.52 O ATOM 404 CB GLU A 45 22.625 -12.103 5.773 1.00 21.01 C ATOM 405 CG GLU A 45 23.823 -11.306 6.261 1.00 3.23 C ATOM 406 CD GLU A 45 23.669 -9.816 6.023 1.00 25.35 C ATOM 407 OE1 GLU A 45 22.985 -9.440 5.048 1.00 41.04 O ATOM 408 OE2 GLU A 45 24.233 -9.028 6.810 1.00 53.11 O ATOM 0 H GLU A 45 21.347 -10.003 5.604 1.00 41.33 H new ATOM 0 HA GLU A 45 20.602 -12.593 6.305 1.00 72.41 H new ATOM 0 HB2 GLU A 45 22.867 -13.165 5.808 1.00 21.01 H new ATOM 0 HB3 GLU A 45 22.434 -11.854 4.729 1.00 21.01 H new ATOM 0 HG2 GLU A 45 23.966 -11.487 7.326 1.00 3.23 H new ATOM 0 HG3 GLU A 45 24.721 -11.660 5.755 1.00 3.23 H new ATOM 415 N ALA A 46 21.994 -10.898 8.721 1.00 22.41 N ATOM 416 CA ALA A 46 22.302 -10.908 10.145 1.00 23.04 C ATOM 417 C ALA A 46 21.050 -11.167 10.976 1.00 73.44 C ATOM 418 O ALA A 46 21.133 -11.455 12.169 1.00 11.44 O ATOM 419 CB ALA A 46 22.946 -9.592 10.556 1.00 62.51 C ATOM 0 H ALA A 46 22.067 -9.981 8.280 1.00 22.41 H new ATOM 0 HA ALA A 46 23.006 -11.719 10.333 1.00 23.04 H new ATOM 0 HB1 ALA A 46 23.170 -9.614 11.622 1.00 62.51 H new ATOM 0 HB2 ALA A 46 23.869 -9.447 9.994 1.00 62.51 H new ATOM 0 HB3 ALA A 46 22.261 -8.771 10.346 1.00 62.51 H new ATOM 425 N TYR A 47 19.890 -11.063 10.336 1.00 41.04 N ATOM 426 CA TYR A 47 18.619 -11.282 11.017 1.00 12.12 C ATOM 427 C TYR A 47 18.519 -12.714 11.535 1.00 25.41 C ATOM 428 O TYR A 47 17.648 -13.035 12.343 1.00 52.53 O ATOM 429 CB TYR A 47 17.453 -10.988 10.072 1.00 42.24 C ATOM 430 CG TYR A 47 17.366 -9.537 9.653 1.00 74.55 C ATOM 431 CD1 TYR A 47 16.421 -9.120 8.723 1.00 45.40 C ATOM 432 CD2 TYR A 47 18.227 -8.586 10.185 1.00 62.44 C ATOM 433 CE1 TYR A 47 16.337 -7.796 8.336 1.00 64.30 C ATOM 434 CE2 TYR A 47 18.150 -7.261 9.804 1.00 74.22 C ATOM 435 CZ TYR A 47 17.204 -6.870 8.879 1.00 63.10 C ATOM 436 OH TYR A 47 17.125 -5.550 8.497 1.00 31.14 O ATOM 0 H TYR A 47 19.804 -10.829 9.347 1.00 41.04 H new ATOM 0 HA TYR A 47 18.569 -10.602 11.867 1.00 12.12 H new ATOM 0 HB2 TYR A 47 17.552 -11.609 9.182 1.00 42.24 H new ATOM 0 HB3 TYR A 47 16.520 -11.274 10.559 1.00 42.24 H new ATOM 0 HD1 TYR A 47 15.741 -9.842 8.296 1.00 45.40 H new ATOM 0 HD2 TYR A 47 18.969 -8.888 10.909 1.00 62.44 H new ATOM 0 HE1 TYR A 47 15.597 -7.488 7.612 1.00 64.30 H new ATOM 0 HE2 TYR A 47 18.827 -6.534 10.228 1.00 74.22 H new ATOM 0 HH TYR A 47 16.236 -5.199 8.714 1.00 31.14 H new ATOM 446 N LEU A 48 19.418 -13.571 11.064 1.00 64.25 N ATOM 447 CA LEU A 48 19.434 -14.969 11.479 1.00 12.31 C ATOM 448 C LEU A 48 20.215 -15.143 12.778 1.00 60.25 C ATOM 449 O LEU A 48 21.007 -14.281 13.157 1.00 12.23 O ATOM 450 CB LEU A 48 20.048 -15.840 10.382 1.00 72.13 C ATOM 451 CG LEU A 48 19.089 -16.795 9.669 1.00 63.15 C ATOM 452 CD1 LEU A 48 19.768 -17.434 8.468 1.00 21.51 C ATOM 453 CD2 LEU A 48 18.586 -17.862 10.629 1.00 14.43 C ATOM 0 H LEU A 48 20.146 -13.322 10.394 1.00 64.25 H new ATOM 0 HA LEU A 48 18.404 -15.283 11.651 1.00 12.31 H new ATOM 0 HB2 LEU A 48 20.499 -15.186 9.636 1.00 72.13 H new ATOM 0 HB3 LEU A 48 20.855 -16.427 10.821 1.00 72.13 H new ATOM 0 HG LEU A 48 18.233 -16.221 9.315 1.00 63.15 H new ATOM 0 HD11 LEU A 48 19.071 -18.110 7.973 1.00 21.51 H new ATOM 0 HD12 LEU A 48 20.078 -16.657 7.769 1.00 21.51 H new ATOM 0 HD13 LEU A 48 20.643 -17.994 8.800 1.00 21.51 H new ATOM 0 HD21 LEU A 48 17.905 -18.532 10.104 1.00 14.43 H new ATOM 0 HD22 LEU A 48 19.431 -18.432 11.014 1.00 14.43 H new ATOM 0 HD23 LEU A 48 18.061 -17.387 11.458 1.00 14.43 H new ATOM 465 N SER A 49 19.986 -16.265 13.453 1.00 4.22 N ATOM 466 CA SER A 49 20.667 -16.551 14.711 1.00 65.04 C ATOM 467 C SER A 49 22.154 -16.804 14.479 1.00 61.10 C ATOM 468 O SER A 49 22.557 -17.263 13.410 1.00 22.34 O ATOM 469 CB SER A 49 20.032 -17.763 15.394 1.00 21.53 C ATOM 470 OG SER A 49 19.276 -17.373 16.527 1.00 43.20 O ATOM 0 H SER A 49 19.335 -16.990 13.151 1.00 4.22 H new ATOM 0 HA SER A 49 20.562 -15.681 15.359 1.00 65.04 H new ATOM 0 HB2 SER A 49 19.389 -18.287 14.687 1.00 21.53 H new ATOM 0 HB3 SER A 49 20.811 -18.463 15.696 1.00 21.53 H new ATOM 0 HG SER A 49 18.879 -18.166 16.944 1.00 43.20 H new ATOM 476 N SER A 50 22.964 -16.502 15.488 1.00 21.42 N ATOM 477 CA SER A 50 24.406 -16.693 15.393 1.00 24.32 C ATOM 478 C SER A 50 24.738 -18.111 14.936 1.00 4.53 C ATOM 479 O SER A 50 25.766 -18.344 14.300 1.00 53.35 O ATOM 480 CB SER A 50 25.069 -16.413 16.744 1.00 4.11 C ATOM 481 OG SER A 50 26.183 -17.263 16.951 1.00 2.14 O ATOM 0 H SER A 50 22.646 -16.124 16.381 1.00 21.42 H new ATOM 0 HA SER A 50 24.792 -15.991 14.654 1.00 24.32 H new ATOM 0 HB2 SER A 50 25.389 -15.372 16.787 1.00 4.11 H new ATOM 0 HB3 SER A 50 24.344 -16.557 17.545 1.00 4.11 H new ATOM 0 HG SER A 50 26.590 -17.063 17.820 1.00 2.14 H new ATOM 487 N GLU A 51 23.861 -19.053 15.265 1.00 55.42 N ATOM 488 CA GLU A 51 24.060 -20.447 14.890 1.00 71.34 C ATOM 489 C GLU A 51 23.729 -20.666 13.416 1.00 33.10 C ATOM 490 O GLU A 51 24.574 -21.109 12.639 1.00 51.24 O ATOM 491 CB GLU A 51 23.196 -21.363 15.760 1.00 42.34 C ATOM 492 CG GLU A 51 23.271 -21.039 17.243 1.00 72.40 C ATOM 493 CD GLU A 51 22.779 -22.180 18.113 1.00 70.02 C ATOM 494 OE1 GLU A 51 21.568 -22.479 18.070 1.00 74.32 O ATOM 495 OE2 GLU A 51 23.605 -22.773 18.837 1.00 1.03 O ATOM 0 H GLU A 51 23.005 -18.876 15.791 1.00 55.42 H new ATOM 0 HA GLU A 51 25.110 -20.693 15.050 1.00 71.34 H new ATOM 0 HB2 GLU A 51 22.159 -21.290 15.432 1.00 42.34 H new ATOM 0 HB3 GLU A 51 23.507 -22.396 15.606 1.00 42.34 H new ATOM 0 HG2 GLU A 51 24.301 -20.803 17.508 1.00 72.40 H new ATOM 0 HG3 GLU A 51 22.677 -20.148 17.447 1.00 72.40 H new ATOM 502 N GLU A 52 22.492 -20.354 13.041 1.00 60.02 N ATOM 503 CA GLU A 52 22.048 -20.518 11.661 1.00 4.44 C ATOM 504 C GLU A 52 22.872 -19.647 10.717 1.00 34.01 C ATOM 505 O GLU A 52 23.427 -20.133 9.732 1.00 20.33 O ATOM 506 CB GLU A 52 20.564 -20.165 11.534 1.00 23.15 C ATOM 507 CG GLU A 52 19.639 -21.355 11.715 1.00 75.23 C ATOM 508 CD GLU A 52 19.563 -22.229 10.478 1.00 13.05 C ATOM 509 OE1 GLU A 52 18.863 -21.841 9.520 1.00 52.12 O ATOM 510 OE2 GLU A 52 20.204 -23.301 10.469 1.00 35.22 O ATOM 0 H GLU A 52 21.780 -19.987 13.673 1.00 60.02 H new ATOM 0 HA GLU A 52 22.191 -21.562 11.382 1.00 4.44 H new ATOM 0 HB2 GLU A 52 20.315 -19.406 12.275 1.00 23.15 H new ATOM 0 HB3 GLU A 52 20.387 -19.723 10.553 1.00 23.15 H new ATOM 0 HG2 GLU A 52 19.984 -21.954 12.558 1.00 75.23 H new ATOM 0 HG3 GLU A 52 18.640 -20.999 11.965 1.00 75.23 H new ATOM 517 N PHE A 53 22.946 -18.356 11.026 1.00 61.21 N ATOM 518 CA PHE A 53 23.701 -17.417 10.205 1.00 51.41 C ATOM 519 C PHE A 53 25.107 -17.940 9.932 1.00 65.34 C ATOM 520 O PHE A 53 25.522 -18.068 8.780 1.00 63.03 O ATOM 521 CB PHE A 53 23.777 -16.053 10.895 1.00 44.03 C ATOM 522 CG PHE A 53 24.855 -15.162 10.343 1.00 53.14 C ATOM 523 CD1 PHE A 53 26.152 -15.243 10.822 1.00 33.52 C ATOM 524 CD2 PHE A 53 24.569 -14.243 9.346 1.00 2.21 C ATOM 525 CE1 PHE A 53 27.146 -14.426 10.317 1.00 75.11 C ATOM 526 CE2 PHE A 53 25.558 -13.423 8.837 1.00 72.01 C ATOM 527 CZ PHE A 53 26.848 -13.514 9.324 1.00 11.33 C ATOM 0 H PHE A 53 22.493 -17.937 11.838 1.00 61.21 H new ATOM 0 HA PHE A 53 23.183 -17.308 9.252 1.00 51.41 H new ATOM 0 HB2 PHE A 53 22.815 -15.550 10.796 1.00 44.03 H new ATOM 0 HB3 PHE A 53 23.950 -16.203 11.961 1.00 44.03 H new ATOM 0 HD1 PHE A 53 26.390 -15.953 11.600 1.00 33.52 H new ATOM 0 HD2 PHE A 53 23.562 -14.167 8.963 1.00 2.21 H new ATOM 0 HE1 PHE A 53 28.154 -14.501 10.698 1.00 75.11 H new ATOM 0 HE2 PHE A 53 25.323 -12.712 8.059 1.00 72.01 H new ATOM 0 HZ PHE A 53 27.622 -12.873 8.929 1.00 11.33 H new ATOM 537 N LYS A 54 25.838 -18.243 11.000 1.00 2.23 N ATOM 538 CA LYS A 54 27.198 -18.753 10.877 1.00 15.34 C ATOM 539 C LYS A 54 27.204 -20.140 10.242 1.00 52.31 C ATOM 540 O LYS A 54 28.199 -20.558 9.651 1.00 1.31 O ATOM 541 CB LYS A 54 27.869 -18.809 12.252 1.00 4.31 C ATOM 542 CG LYS A 54 27.638 -20.115 12.990 1.00 13.42 C ATOM 543 CD LYS A 54 28.297 -20.107 14.359 1.00 51.33 C ATOM 544 CE LYS A 54 29.584 -20.918 14.363 1.00 34.11 C ATOM 545 NZ LYS A 54 29.359 -22.312 14.839 1.00 45.41 N ATOM 0 H LYS A 54 25.511 -18.144 11.961 1.00 2.23 H new ATOM 0 HA LYS A 54 27.757 -18.075 10.232 1.00 15.34 H new ATOM 0 HB2 LYS A 54 28.941 -18.655 12.130 1.00 4.31 H new ATOM 0 HB3 LYS A 54 27.497 -17.986 12.862 1.00 4.31 H new ATOM 0 HG2 LYS A 54 26.567 -20.286 13.102 1.00 13.42 H new ATOM 0 HG3 LYS A 54 28.033 -20.942 12.400 1.00 13.42 H new ATOM 0 HD2 LYS A 54 28.512 -19.080 14.654 1.00 51.33 H new ATOM 0 HD3 LYS A 54 27.607 -20.514 15.098 1.00 51.33 H new ATOM 0 HE2 LYS A 54 30.002 -20.941 13.357 1.00 34.11 H new ATOM 0 HE3 LYS A 54 30.319 -20.430 15.003 1.00 34.11 H new ATOM 0 HZ1 LYS A 54 30.259 -22.832 14.827 1.00 45.41 H new ATOM 0 HZ2 LYS A 54 28.984 -22.291 15.809 1.00 45.41 H new ATOM 0 HZ3 LYS A 54 28.677 -22.786 14.214 1.00 45.41 H new ATOM 559 N GLU A 55 26.084 -20.847 10.366 1.00 64.32 N ATOM 560 CA GLU A 55 25.962 -22.186 9.802 1.00 64.23 C ATOM 561 C GLU A 55 25.765 -22.124 8.290 1.00 63.13 C ATOM 562 O GLU A 55 26.091 -23.068 7.570 1.00 63.40 O ATOM 563 CB GLU A 55 24.792 -22.932 10.449 1.00 43.35 C ATOM 564 CG GLU A 55 25.189 -23.741 11.672 1.00 53.22 C ATOM 565 CD GLU A 55 23.992 -24.174 12.497 1.00 1.21 C ATOM 566 OE1 GLU A 55 22.868 -24.176 11.955 1.00 60.34 O ATOM 567 OE2 GLU A 55 24.181 -24.511 13.685 1.00 51.22 O ATOM 0 H GLU A 55 25.250 -20.515 10.851 1.00 64.32 H new ATOM 0 HA GLU A 55 26.887 -22.725 10.009 1.00 64.23 H new ATOM 0 HB2 GLU A 55 24.025 -22.211 10.733 1.00 43.35 H new ATOM 0 HB3 GLU A 55 24.345 -23.599 9.712 1.00 43.35 H new ATOM 0 HG2 GLU A 55 25.746 -24.623 11.355 1.00 53.22 H new ATOM 0 HG3 GLU A 55 25.859 -23.148 12.294 1.00 53.22 H new ATOM 574 N LYS A 56 25.229 -21.005 7.815 1.00 72.32 N ATOM 575 CA LYS A 56 24.989 -20.817 6.389 1.00 73.54 C ATOM 576 C LYS A 56 26.170 -20.115 5.726 1.00 53.13 C ATOM 577 O LYS A 56 26.470 -20.355 4.556 1.00 43.44 O ATOM 578 CB LYS A 56 23.710 -20.004 6.169 1.00 33.43 C ATOM 579 CG LYS A 56 22.496 -20.858 5.841 1.00 5.33 C ATOM 580 CD LYS A 56 22.457 -21.227 4.369 1.00 72.41 C ATOM 581 CE LYS A 56 21.510 -22.390 4.111 1.00 13.14 C ATOM 582 NZ LYS A 56 22.073 -23.680 4.599 1.00 73.44 N ATOM 0 H LYS A 56 24.952 -20.214 8.397 1.00 72.32 H new ATOM 0 HA LYS A 56 24.871 -21.800 5.933 1.00 73.54 H new ATOM 0 HB2 LYS A 56 23.502 -19.420 7.066 1.00 33.43 H new ATOM 0 HB3 LYS A 56 23.875 -19.295 5.358 1.00 33.43 H new ATOM 0 HG2 LYS A 56 22.514 -21.766 6.444 1.00 5.33 H new ATOM 0 HG3 LYS A 56 21.587 -20.318 6.106 1.00 5.33 H new ATOM 0 HD2 LYS A 56 22.142 -20.363 3.784 1.00 72.41 H new ATOM 0 HD3 LYS A 56 23.459 -21.491 4.032 1.00 72.41 H new ATOM 0 HE2 LYS A 56 20.557 -22.199 4.605 1.00 13.14 H new ATOM 0 HE3 LYS A 56 21.307 -22.463 3.043 1.00 13.14 H new ATOM 0 HZ1 LYS A 56 21.535 -24.470 4.190 1.00 73.44 H new ATOM 0 HZ2 LYS A 56 23.070 -23.754 4.312 1.00 73.44 H new ATOM 0 HZ3 LYS A 56 22.007 -23.717 5.636 1.00 73.44 H new ATOM 596 N PHE A 57 26.837 -19.248 6.481 1.00 23.22 N ATOM 597 CA PHE A 57 27.986 -18.513 5.966 1.00 52.31 C ATOM 598 C PHE A 57 29.293 -19.161 6.414 1.00 55.11 C ATOM 599 O PHE A 57 30.346 -18.932 5.823 1.00 43.50 O ATOM 600 CB PHE A 57 27.938 -17.057 6.437 1.00 62.10 C ATOM 601 CG PHE A 57 26.765 -16.291 5.896 1.00 45.45 C ATOM 602 CD1 PHE A 57 26.671 -16.006 4.543 1.00 2.30 C ATOM 603 CD2 PHE A 57 25.757 -15.854 6.740 1.00 52.24 C ATOM 604 CE1 PHE A 57 25.594 -15.300 4.041 1.00 35.11 C ATOM 605 CE2 PHE A 57 24.676 -15.149 6.244 1.00 3.50 C ATOM 606 CZ PHE A 57 24.595 -14.871 4.894 1.00 43.14 C ATOM 0 H PHE A 57 26.602 -19.037 7.451 1.00 23.22 H new ATOM 0 HA PHE A 57 27.944 -18.538 4.877 1.00 52.31 H new ATOM 0 HB2 PHE A 57 27.904 -17.037 7.526 1.00 62.10 H new ATOM 0 HB3 PHE A 57 28.858 -16.556 6.137 1.00 62.10 H new ATOM 0 HD1 PHE A 57 27.449 -16.340 3.872 1.00 2.30 H new ATOM 0 HD2 PHE A 57 25.816 -16.066 7.797 1.00 52.24 H new ATOM 0 HE1 PHE A 57 25.533 -15.084 2.985 1.00 35.11 H new ATOM 0 HE2 PHE A 57 23.895 -14.816 6.912 1.00 3.50 H new ATOM 0 HZ PHE A 57 23.752 -14.319 4.505 1.00 43.14 H new ATOM 616 N GLY A 58 29.214 -19.972 7.464 1.00 34.31 N ATOM 617 CA GLY A 58 30.396 -20.641 7.975 1.00 33.43 C ATOM 618 C GLY A 58 31.178 -19.777 8.944 1.00 33.42 C ATOM 619 O GLY A 58 32.119 -20.246 9.585 1.00 75.03 O ATOM 0 H GLY A 58 28.353 -20.178 7.970 1.00 34.31 H new ATOM 0 HA2 GLY A 58 30.100 -21.564 8.473 1.00 33.43 H new ATOM 0 HA3 GLY A 58 31.040 -20.921 7.141 1.00 33.43 H new ATOM 623 N MET A 59 30.790 -18.510 9.050 1.00 23.13 N ATOM 624 CA MET A 59 31.463 -17.579 9.948 1.00 45.43 C ATOM 625 C MET A 59 30.470 -16.944 10.916 1.00 11.13 C ATOM 626 O MET A 59 29.347 -16.606 10.538 1.00 4.42 O ATOM 627 CB MET A 59 32.178 -16.490 9.145 1.00 13.32 C ATOM 628 CG MET A 59 32.828 -17.001 7.870 1.00 30.44 C ATOM 629 SD MET A 59 34.083 -18.258 8.186 1.00 54.12 S ATOM 630 CE MET A 59 34.353 -18.889 6.532 1.00 30.15 C ATOM 0 H MET A 59 30.014 -18.105 8.526 1.00 23.13 H new ATOM 0 HA MET A 59 32.200 -18.138 10.525 1.00 45.43 H new ATOM 0 HB2 MET A 59 31.462 -15.709 8.890 1.00 13.32 H new ATOM 0 HB3 MET A 59 32.941 -16.030 9.773 1.00 13.32 H new ATOM 0 HG2 MET A 59 32.061 -17.416 7.216 1.00 30.44 H new ATOM 0 HG3 MET A 59 33.282 -16.165 7.338 1.00 30.44 H new ATOM 0 HE1 MET A 59 35.106 -19.677 6.561 1.00 30.15 H new ATOM 0 HE2 MET A 59 33.420 -19.294 6.140 1.00 30.15 H new ATOM 0 HE3 MET A 59 34.698 -18.081 5.886 1.00 30.15 H new ATOM 640 N THR A 60 30.890 -16.785 12.168 1.00 55.34 N ATOM 641 CA THR A 60 30.036 -16.192 13.190 1.00 23.22 C ATOM 642 C THR A 60 29.636 -14.770 12.815 1.00 4.23 C ATOM 643 O THR A 60 30.109 -14.222 11.820 1.00 64.24 O ATOM 644 CB THR A 60 30.736 -16.171 14.562 1.00 34.45 C ATOM 645 OG1 THR A 60 31.735 -15.148 14.588 1.00 5.44 O ATOM 646 CG2 THR A 60 31.374 -17.519 14.864 1.00 24.22 C ATOM 0 H THR A 60 31.816 -17.058 12.498 1.00 55.34 H new ATOM 0 HA THR A 60 29.142 -16.812 13.255 1.00 23.22 H new ATOM 0 HB THR A 60 29.985 -15.963 15.325 1.00 34.45 H new ATOM 0 HG1 THR A 60 32.173 -15.141 15.464 1.00 5.44 H new ATOM 0 HG21 THR A 60 31.862 -17.480 15.838 1.00 24.22 H new ATOM 0 HG22 THR A 60 30.605 -18.291 14.874 1.00 24.22 H new ATOM 0 HG23 THR A 60 32.112 -17.752 14.097 1.00 24.22 H new ATOM 654 N LYS A 61 28.763 -14.175 13.620 1.00 51.43 N ATOM 655 CA LYS A 61 28.299 -12.814 13.375 1.00 24.14 C ATOM 656 C LYS A 61 29.477 -11.853 13.243 1.00 34.54 C ATOM 657 O LYS A 61 29.581 -11.117 12.263 1.00 51.21 O ATOM 658 CB LYS A 61 27.378 -12.355 14.508 1.00 3.31 C ATOM 659 CG LYS A 61 26.301 -13.366 14.862 1.00 13.44 C ATOM 660 CD LYS A 61 24.994 -12.683 15.229 1.00 2.34 C ATOM 661 CE LYS A 61 24.919 -12.385 16.719 1.00 1.32 C ATOM 662 NZ LYS A 61 25.031 -10.927 17.000 1.00 55.24 N ATOM 0 H LYS A 61 28.362 -14.614 14.449 1.00 51.43 H new ATOM 0 HA LYS A 61 27.742 -12.810 12.438 1.00 24.14 H new ATOM 0 HB2 LYS A 61 27.979 -12.151 15.394 1.00 3.31 H new ATOM 0 HB3 LYS A 61 26.904 -11.416 14.222 1.00 3.31 H new ATOM 0 HG2 LYS A 61 26.138 -14.036 14.018 1.00 13.44 H new ATOM 0 HG3 LYS A 61 26.638 -13.981 15.696 1.00 13.44 H new ATOM 0 HD2 LYS A 61 24.897 -11.755 14.666 1.00 2.34 H new ATOM 0 HD3 LYS A 61 24.157 -13.319 14.942 1.00 2.34 H new ATOM 0 HE2 LYS A 61 23.976 -12.760 17.117 1.00 1.32 H new ATOM 0 HE3 LYS A 61 25.718 -12.917 17.236 1.00 1.32 H new ATOM 0 HZ1 LYS A 61 24.975 -10.766 18.026 1.00 55.24 H new ATOM 0 HZ2 LYS A 61 25.942 -10.574 16.643 1.00 55.24 H new ATOM 0 HZ3 LYS A 61 24.254 -10.422 16.528 1.00 55.24 H new ATOM 676 N GLU A 62 30.362 -11.870 14.236 1.00 53.13 N ATOM 677 CA GLU A 62 31.532 -11.000 14.228 1.00 52.42 C ATOM 678 C GLU A 62 32.590 -11.519 13.259 1.00 2.12 C ATOM 679 O GLU A 62 33.147 -10.760 12.466 1.00 2.44 O ATOM 680 CB GLU A 62 32.123 -10.891 15.636 1.00 22.53 C ATOM 681 CG GLU A 62 32.502 -9.473 16.029 1.00 22.23 C ATOM 682 CD GLU A 62 33.120 -9.397 17.412 1.00 73.11 C ATOM 683 OE1 GLU A 62 34.327 -9.691 17.538 1.00 15.04 O ATOM 684 OE2 GLU A 62 32.396 -9.043 18.366 1.00 23.15 O ATOM 0 H GLU A 62 30.291 -12.475 15.054 1.00 53.13 H new ATOM 0 HA GLU A 62 31.215 -10.011 13.897 1.00 52.42 H new ATOM 0 HB2 GLU A 62 31.401 -11.278 16.355 1.00 22.53 H new ATOM 0 HB3 GLU A 62 33.007 -11.525 15.700 1.00 22.53 H new ATOM 0 HG2 GLU A 62 33.205 -9.073 15.298 1.00 22.23 H new ATOM 0 HG3 GLU A 62 31.614 -8.841 15.996 1.00 22.23 H new ATOM 691 N ALA A 63 32.861 -12.818 13.329 1.00 23.53 N ATOM 692 CA ALA A 63 33.850 -13.440 12.457 1.00 0.11 C ATOM 693 C ALA A 63 33.559 -13.137 10.992 1.00 33.34 C ATOM 694 O ALA A 63 34.472 -12.878 10.207 1.00 50.53 O ATOM 695 CB ALA A 63 33.888 -14.943 12.690 1.00 31.23 C ATOM 0 H ALA A 63 32.410 -13.460 13.980 1.00 23.53 H new ATOM 0 HA ALA A 63 34.826 -13.021 12.700 1.00 0.11 H new ATOM 0 HB1 ALA A 63 34.631 -15.394 12.032 1.00 31.23 H new ATOM 0 HB2 ALA A 63 34.153 -15.144 13.728 1.00 31.23 H new ATOM 0 HB3 ALA A 63 32.908 -15.369 12.477 1.00 31.23 H new ATOM 701 N PHE A 64 32.280 -13.172 10.628 1.00 25.52 N ATOM 702 CA PHE A 64 31.869 -12.904 9.255 1.00 11.51 C ATOM 703 C PHE A 64 32.226 -11.476 8.851 1.00 70.44 C ATOM 704 O PHE A 64 32.729 -11.238 7.753 1.00 61.23 O ATOM 705 CB PHE A 64 30.364 -13.129 9.098 1.00 44.02 C ATOM 706 CG PHE A 64 29.879 -12.975 7.685 1.00 43.00 C ATOM 707 CD1 PHE A 64 29.342 -11.774 7.250 1.00 72.21 C ATOM 708 CD2 PHE A 64 29.959 -14.031 6.793 1.00 65.43 C ATOM 709 CE1 PHE A 64 28.894 -11.629 5.950 1.00 32.05 C ATOM 710 CE2 PHE A 64 29.514 -13.892 5.490 1.00 2.45 C ATOM 711 CZ PHE A 64 28.980 -12.690 5.070 1.00 61.20 C ATOM 0 H PHE A 64 31.512 -13.383 11.265 1.00 25.52 H new ATOM 0 HA PHE A 64 32.402 -13.593 8.600 1.00 11.51 H new ATOM 0 HB2 PHE A 64 30.115 -14.130 9.452 1.00 44.02 H new ATOM 0 HB3 PHE A 64 29.831 -12.424 9.736 1.00 44.02 H new ATOM 0 HD1 PHE A 64 29.273 -10.941 7.934 1.00 72.21 H new ATOM 0 HD2 PHE A 64 30.373 -14.974 7.118 1.00 65.43 H new ATOM 0 HE1 PHE A 64 28.478 -10.688 5.623 1.00 32.05 H new ATOM 0 HE2 PHE A 64 29.584 -14.722 4.803 1.00 2.45 H new ATOM 0 HZ PHE A 64 28.630 -12.580 4.054 1.00 61.20 H new ATOM 721 N TYR A 65 31.960 -10.530 9.744 1.00 11.34 N ATOM 722 CA TYR A 65 32.250 -9.125 9.481 1.00 15.03 C ATOM 723 C TYR A 65 33.725 -8.926 9.151 1.00 3.35 C ATOM 724 O TYR A 65 34.108 -7.932 8.536 1.00 5.41 O ATOM 725 CB TYR A 65 31.864 -8.268 10.688 1.00 63.50 C ATOM 726 CG TYR A 65 30.396 -8.342 11.039 1.00 75.11 C ATOM 727 CD1 TYR A 65 29.427 -8.433 10.046 1.00 23.30 C ATOM 728 CD2 TYR A 65 29.975 -8.322 12.362 1.00 13.44 C ATOM 729 CE1 TYR A 65 28.084 -8.501 10.362 1.00 4.30 C ATOM 730 CE2 TYR A 65 28.634 -8.390 12.688 1.00 61.13 C ATOM 731 CZ TYR A 65 27.693 -8.479 11.684 1.00 74.12 C ATOM 732 OH TYR A 65 26.356 -8.546 12.004 1.00 52.12 O ATOM 0 H TYR A 65 31.544 -10.710 10.657 1.00 11.34 H new ATOM 0 HA TYR A 65 31.659 -8.813 8.620 1.00 15.03 H new ATOM 0 HB2 TYR A 65 32.451 -8.584 11.550 1.00 63.50 H new ATOM 0 HB3 TYR A 65 32.129 -7.230 10.485 1.00 63.50 H new ATOM 0 HD1 TYR A 65 29.730 -8.451 9.009 1.00 23.30 H new ATOM 0 HD2 TYR A 65 30.709 -8.252 13.151 1.00 13.44 H new ATOM 0 HE1 TYR A 65 27.344 -8.571 9.578 1.00 4.30 H new ATOM 0 HE2 TYR A 65 28.325 -8.374 13.723 1.00 61.13 H new ATOM 0 HH TYR A 65 26.251 -8.520 12.978 1.00 52.12 H new ATOM 742 N LYS A 66 34.552 -9.881 9.567 1.00 0.42 N ATOM 743 CA LYS A 66 35.987 -9.814 9.317 1.00 71.25 C ATOM 744 C LYS A 66 36.273 -9.690 7.823 1.00 31.33 C ATOM 745 O LYS A 66 37.160 -8.943 7.410 1.00 43.22 O ATOM 746 CB LYS A 66 36.682 -11.055 9.880 1.00 64.03 C ATOM 747 CG LYS A 66 38.170 -10.864 10.117 1.00 1.02 C ATOM 748 CD LYS A 66 38.502 -10.860 11.600 1.00 52.34 C ATOM 749 CE LYS A 66 39.875 -10.259 11.862 1.00 71.51 C ATOM 750 NZ LYS A 66 40.288 -10.420 13.283 1.00 44.21 N ATOM 0 H LYS A 66 34.252 -10.711 10.079 1.00 0.42 H new ATOM 0 HA LYS A 66 36.378 -8.929 9.818 1.00 71.25 H new ATOM 0 HB2 LYS A 66 36.206 -11.333 10.820 1.00 64.03 H new ATOM 0 HB3 LYS A 66 36.536 -11.887 9.191 1.00 64.03 H new ATOM 0 HG2 LYS A 66 38.724 -11.661 9.621 1.00 1.02 H new ATOM 0 HG3 LYS A 66 38.493 -9.925 9.668 1.00 1.02 H new ATOM 0 HD2 LYS A 66 37.746 -10.292 12.142 1.00 52.34 H new ATOM 0 HD3 LYS A 66 38.471 -11.880 11.984 1.00 52.34 H new ATOM 0 HE2 LYS A 66 40.610 -10.736 11.214 1.00 71.51 H new ATOM 0 HE3 LYS A 66 39.863 -9.200 11.605 1.00 71.51 H new ATOM 0 HZ1 LYS A 66 41.228 -9.998 13.421 1.00 44.21 H new ATOM 0 HZ2 LYS A 66 39.600 -9.943 13.901 1.00 44.21 H new ATOM 0 HZ3 LYS A 66 40.324 -11.432 13.521 1.00 44.21 H new ATOM 764 N LEU A 67 35.516 -10.428 7.018 1.00 50.42 N ATOM 765 CA LEU A 67 35.687 -10.399 5.569 1.00 32.54 C ATOM 766 C LEU A 67 35.483 -8.990 5.024 1.00 54.10 C ATOM 767 O LEU A 67 34.922 -8.117 5.686 1.00 13.33 O ATOM 768 CB LEU A 67 34.706 -11.365 4.902 1.00 43.03 C ATOM 769 CG LEU A 67 35.257 -12.748 4.554 1.00 74.12 C ATOM 770 CD1 LEU A 67 35.850 -13.412 5.786 1.00 32.13 C ATOM 771 CD2 LEU A 67 34.166 -13.619 3.948 1.00 5.14 C ATOM 0 H LEU A 67 34.779 -11.053 7.343 1.00 50.42 H new ATOM 0 HA LEU A 67 36.706 -10.711 5.341 1.00 32.54 H new ATOM 0 HB2 LEU A 67 33.848 -11.493 5.562 1.00 43.03 H new ATOM 0 HB3 LEU A 67 34.337 -10.902 3.987 1.00 43.03 H new ATOM 0 HG LEU A 67 36.050 -12.627 3.816 1.00 74.12 H new ATOM 0 HD11 LEU A 67 36.237 -14.395 5.519 1.00 32.13 H new ATOM 0 HD12 LEU A 67 36.661 -12.797 6.176 1.00 32.13 H new ATOM 0 HD13 LEU A 67 35.078 -13.521 6.548 1.00 32.13 H new ATOM 0 HD21 LEU A 67 34.576 -14.600 3.706 1.00 5.14 H new ATOM 0 HD22 LEU A 67 33.351 -13.732 4.663 1.00 5.14 H new ATOM 0 HD23 LEU A 67 33.788 -13.150 3.040 1.00 5.14 H new ATOM 783 N PRO A 68 35.945 -8.761 3.785 1.00 13.34 N ATOM 784 CA PRO A 68 35.822 -7.460 3.122 1.00 15.31 C ATOM 785 C PRO A 68 34.380 -7.134 2.749 1.00 62.01 C ATOM 786 O PRO A 68 33.494 -7.983 2.850 1.00 71.32 O ATOM 787 CB PRO A 68 36.677 -7.622 1.863 1.00 52.31 C ATOM 788 CG PRO A 68 36.680 -9.086 1.593 1.00 21.21 C ATOM 789 CD PRO A 68 36.624 -9.756 2.938 1.00 53.22 C ATOM 0 HA PRO A 68 36.140 -6.641 3.767 1.00 15.31 H new ATOM 0 HB2 PRO A 68 36.257 -7.066 1.025 1.00 52.31 H new ATOM 0 HB3 PRO A 68 37.688 -7.246 2.020 1.00 52.31 H new ATOM 0 HG2 PRO A 68 35.826 -9.371 0.979 1.00 21.21 H new ATOM 0 HG3 PRO A 68 37.577 -9.380 1.048 1.00 21.21 H new ATOM 0 HD2 PRO A 68 36.070 -10.694 2.897 1.00 53.22 H new ATOM 0 HD3 PRO A 68 37.621 -9.990 3.313 1.00 53.22 H new ATOM 797 N LYS A 69 34.150 -5.898 2.318 1.00 61.03 N ATOM 798 CA LYS A 69 32.816 -5.459 1.927 1.00 22.31 C ATOM 799 C LYS A 69 32.351 -6.183 0.668 1.00 12.25 C ATOM 800 O LYS A 69 31.224 -6.673 0.603 1.00 13.22 O ATOM 801 CB LYS A 69 32.803 -3.947 1.692 1.00 13.25 C ATOM 802 CG LYS A 69 32.260 -3.153 2.869 1.00 32.14 C ATOM 803 CD LYS A 69 32.716 -1.705 2.822 1.00 12.40 C ATOM 804 CE LYS A 69 33.498 -1.326 4.070 1.00 1.30 C ATOM 805 NZ LYS A 69 33.713 0.144 4.166 1.00 52.44 N ATOM 0 H LYS A 69 34.871 -5.182 2.231 1.00 61.03 H new ATOM 0 HA LYS A 69 32.129 -5.701 2.738 1.00 22.31 H new ATOM 0 HB2 LYS A 69 33.818 -3.613 1.476 1.00 13.25 H new ATOM 0 HB3 LYS A 69 32.201 -3.730 0.809 1.00 13.25 H new ATOM 0 HG2 LYS A 69 31.171 -3.193 2.864 1.00 32.14 H new ATOM 0 HG3 LYS A 69 32.592 -3.610 3.801 1.00 32.14 H new ATOM 0 HD2 LYS A 69 33.337 -1.546 1.940 1.00 12.40 H new ATOM 0 HD3 LYS A 69 31.849 -1.052 2.723 1.00 12.40 H new ATOM 0 HE2 LYS A 69 32.962 -1.673 4.953 1.00 1.30 H new ATOM 0 HE3 LYS A 69 34.462 -1.834 4.062 1.00 1.30 H new ATOM 0 HZ1 LYS A 69 34.250 0.361 5.030 1.00 52.44 H new ATOM 0 HZ2 LYS A 69 34.247 0.472 3.336 1.00 52.44 H new ATOM 0 HZ3 LYS A 69 32.793 0.628 4.199 1.00 52.44 H new ATOM 819 N TRP A 70 33.227 -6.249 -0.328 1.00 2.30 N ATOM 820 CA TRP A 70 32.906 -6.915 -1.585 1.00 62.31 C ATOM 821 C TRP A 70 32.508 -8.367 -1.345 1.00 23.41 C ATOM 822 O TRP A 70 31.551 -8.866 -1.937 1.00 44.45 O ATOM 823 CB TRP A 70 34.100 -6.852 -2.539 1.00 1.13 C ATOM 824 CG TRP A 70 35.172 -7.848 -2.216 1.00 64.11 C ATOM 825 CD1 TRP A 70 36.243 -7.661 -1.391 1.00 1.34 C ATOM 826 CD2 TRP A 70 35.277 -9.186 -2.715 1.00 34.22 C ATOM 827 NE1 TRP A 70 37.008 -8.801 -1.345 1.00 62.33 N ATOM 828 CE2 TRP A 70 36.436 -9.752 -2.148 1.00 24.33 C ATOM 829 CE3 TRP A 70 34.504 -9.962 -3.582 1.00 33.31 C ATOM 830 CZ2 TRP A 70 36.838 -11.057 -2.424 1.00 2.41 C ATOM 831 CZ3 TRP A 70 34.905 -11.256 -3.855 1.00 50.13 C ATOM 832 CH2 TRP A 70 36.063 -11.793 -3.277 1.00 60.13 C ATOM 0 H TRP A 70 34.165 -5.850 -0.290 1.00 2.30 H new ATOM 0 HA TRP A 70 32.061 -6.396 -2.037 1.00 62.31 H new ATOM 0 HB2 TRP A 70 33.751 -7.022 -3.558 1.00 1.13 H new ATOM 0 HB3 TRP A 70 34.526 -5.849 -2.511 1.00 1.13 H new ATOM 0 HD1 TRP A 70 36.458 -6.750 -0.853 1.00 1.34 H new ATOM 0 HE1 TRP A 70 37.863 -8.920 -0.801 1.00 62.33 H new ATOM 0 HE3 TRP A 70 33.609 -9.558 -4.031 1.00 33.31 H new ATOM 0 HZ2 TRP A 70 37.730 -11.473 -1.980 1.00 2.41 H new ATOM 0 HZ3 TRP A 70 34.316 -11.864 -4.525 1.00 50.13 H new ATOM 0 HH2 TRP A 70 36.349 -12.808 -3.510 1.00 60.13 H new ATOM 843 N LYS A 71 33.250 -9.043 -0.473 1.00 74.31 N ATOM 844 CA LYS A 71 32.973 -10.438 -0.152 1.00 23.52 C ATOM 845 C LYS A 71 31.781 -10.555 0.792 1.00 3.23 C ATOM 846 O LYS A 71 31.003 -11.504 0.709 1.00 0.02 O ATOM 847 CB LYS A 71 34.204 -11.091 0.480 1.00 4.32 C ATOM 848 CG LYS A 71 34.091 -12.600 0.614 1.00 44.22 C ATOM 849 CD LYS A 71 35.457 -13.251 0.756 1.00 1.10 C ATOM 850 CE LYS A 71 35.430 -14.705 0.312 1.00 2.24 C ATOM 851 NZ LYS A 71 36.478 -15.514 0.996 1.00 53.44 N ATOM 0 H LYS A 71 34.048 -8.647 0.024 1.00 74.31 H new ATOM 0 HA LYS A 71 32.730 -10.956 -1.080 1.00 23.52 H new ATOM 0 HB2 LYS A 71 35.081 -10.853 -0.122 1.00 4.32 H new ATOM 0 HB3 LYS A 71 34.368 -10.658 1.467 1.00 4.32 H new ATOM 0 HG2 LYS A 71 33.479 -12.844 1.482 1.00 44.22 H new ATOM 0 HG3 LYS A 71 33.582 -13.007 -0.260 1.00 44.22 H new ATOM 0 HD2 LYS A 71 36.187 -12.701 0.161 1.00 1.10 H new ATOM 0 HD3 LYS A 71 35.783 -13.193 1.794 1.00 1.10 H new ATOM 0 HE2 LYS A 71 34.449 -15.130 0.521 1.00 2.24 H new ATOM 0 HE3 LYS A 71 35.577 -14.758 -0.767 1.00 2.24 H new ATOM 0 HZ1 LYS A 71 36.427 -16.499 0.666 1.00 53.44 H new ATOM 0 HZ2 LYS A 71 37.417 -15.124 0.776 1.00 53.44 H new ATOM 0 HZ3 LYS A 71 36.323 -15.485 2.024 1.00 53.44 H new ATOM 865 N GLN A 72 31.644 -9.581 1.687 1.00 24.50 N ATOM 866 CA GLN A 72 30.546 -9.575 2.646 1.00 73.33 C ATOM 867 C GLN A 72 29.199 -9.599 1.931 1.00 40.32 C ATOM 868 O GLN A 72 28.284 -10.315 2.334 1.00 31.45 O ATOM 869 CB GLN A 72 30.637 -8.344 3.549 1.00 75.31 C ATOM 870 CG GLN A 72 29.405 -8.134 4.416 1.00 44.11 C ATOM 871 CD GLN A 72 28.629 -6.888 4.035 1.00 21.35 C ATOM 872 OE1 GLN A 72 28.203 -6.735 2.891 1.00 42.44 O ATOM 873 NE2 GLN A 72 28.441 -5.991 4.996 1.00 2.23 N ATOM 0 H GLN A 72 32.279 -8.787 1.768 1.00 24.50 H new ATOM 0 HA GLN A 72 30.627 -10.473 3.259 1.00 73.33 H new ATOM 0 HB2 GLN A 72 31.512 -8.439 4.192 1.00 75.31 H new ATOM 0 HB3 GLN A 72 30.791 -7.460 2.930 1.00 75.31 H new ATOM 0 HG2 GLN A 72 28.753 -9.004 4.331 1.00 44.11 H new ATOM 0 HG3 GLN A 72 29.708 -8.063 5.461 1.00 44.11 H new ATOM 0 HE21 GLN A 72 28.812 -6.160 5.931 1.00 2.23 H new ATOM 0 HE22 GLN A 72 27.925 -5.133 4.799 1.00 2.23 H new ATOM 882 N ASN A 73 29.085 -8.809 0.868 1.00 42.31 N ATOM 883 CA ASN A 73 27.849 -8.738 0.098 1.00 13.03 C ATOM 884 C ASN A 73 27.688 -9.970 -0.788 1.00 21.24 C ATOM 885 O ASN A 73 26.572 -10.375 -1.112 1.00 14.34 O ATOM 886 CB ASN A 73 27.831 -7.473 -0.762 1.00 15.32 C ATOM 887 CG ASN A 73 26.589 -6.634 -0.531 1.00 73.33 C ATOM 888 OD1 ASN A 73 26.060 -6.581 0.579 1.00 13.45 O ATOM 889 ND2 ASN A 73 26.116 -5.975 -1.582 1.00 4.43 N ATOM 0 H ASN A 73 29.833 -8.209 0.521 1.00 42.31 H new ATOM 0 HA ASN A 73 27.015 -8.705 0.799 1.00 13.03 H new ATOM 0 HB2 ASN A 73 28.716 -6.875 -0.543 1.00 15.32 H new ATOM 0 HB3 ASN A 73 27.887 -7.752 -1.814 1.00 15.32 H new ATOM 0 HD21 ASN A 73 25.282 -5.396 -1.488 1.00 4.43 H new ATOM 0 HD22 ASN A 73 26.587 -6.048 -2.484 1.00 4.43 H new ATOM 896 N LYS A 74 28.813 -10.564 -1.175 1.00 52.41 N ATOM 897 CA LYS A 74 28.799 -11.751 -2.021 1.00 31.42 C ATOM 898 C LYS A 74 28.297 -12.966 -1.246 1.00 30.12 C ATOM 899 O LYS A 74 27.363 -13.645 -1.673 1.00 23.21 O ATOM 900 CB LYS A 74 30.200 -12.027 -2.571 1.00 53.01 C ATOM 901 CG LYS A 74 30.651 -11.023 -3.619 1.00 0.42 C ATOM 902 CD LYS A 74 30.192 -11.425 -5.010 1.00 41.12 C ATOM 903 CE LYS A 74 31.188 -12.363 -5.676 1.00 41.13 C ATOM 904 NZ LYS A 74 31.620 -11.856 -7.008 1.00 22.43 N ATOM 0 H LYS A 74 29.745 -10.242 -0.916 1.00 52.41 H new ATOM 0 HA LYS A 74 28.119 -11.566 -2.852 1.00 31.42 H new ATOM 0 HB2 LYS A 74 30.912 -12.023 -1.746 1.00 53.01 H new ATOM 0 HB3 LYS A 74 30.220 -13.027 -3.005 1.00 53.01 H new ATOM 0 HG2 LYS A 74 30.254 -10.038 -3.375 1.00 0.42 H new ATOM 0 HG3 LYS A 74 31.738 -10.942 -3.603 1.00 0.42 H new ATOM 0 HD2 LYS A 74 29.219 -11.911 -4.947 1.00 41.12 H new ATOM 0 HD3 LYS A 74 30.064 -10.533 -5.624 1.00 41.12 H new ATOM 0 HE2 LYS A 74 32.060 -12.484 -5.033 1.00 41.13 H new ATOM 0 HE3 LYS A 74 30.738 -13.349 -5.791 1.00 41.13 H new ATOM 0 HZ1 LYS A 74 32.298 -12.522 -7.430 1.00 22.43 H new ATOM 0 HZ2 LYS A 74 30.792 -11.765 -7.630 1.00 22.43 H new ATOM 0 HZ3 LYS A 74 32.072 -10.926 -6.896 1.00 22.43 H new ATOM 918 N PHE A 75 28.923 -13.233 -0.105 1.00 34.51 N ATOM 919 CA PHE A 75 28.540 -14.366 0.730 1.00 53.22 C ATOM 920 C PHE A 75 27.053 -14.312 1.071 1.00 5.03 C ATOM 921 O PHE A 75 26.369 -15.335 1.078 1.00 52.25 O ATOM 922 CB PHE A 75 29.369 -14.384 2.015 1.00 5.21 C ATOM 923 CG PHE A 75 30.227 -15.608 2.159 1.00 60.41 C ATOM 924 CD1 PHE A 75 29.705 -16.868 1.911 1.00 24.34 C ATOM 925 CD2 PHE A 75 31.555 -15.501 2.542 1.00 55.44 C ATOM 926 CE1 PHE A 75 30.492 -17.997 2.042 1.00 21.42 C ATOM 927 CE2 PHE A 75 32.345 -16.626 2.674 1.00 24.20 C ATOM 928 CZ PHE A 75 31.814 -17.875 2.425 1.00 33.30 C ATOM 0 H PHE A 75 29.698 -12.681 0.263 1.00 34.51 H new ATOM 0 HA PHE A 75 28.734 -15.280 0.169 1.00 53.22 H new ATOM 0 HB2 PHE A 75 30.005 -13.499 2.040 1.00 5.21 H new ATOM 0 HB3 PHE A 75 28.698 -14.318 2.871 1.00 5.21 H new ATOM 0 HD1 PHE A 75 28.672 -16.969 1.612 1.00 24.34 H new ATOM 0 HD2 PHE A 75 31.977 -14.527 2.739 1.00 55.44 H new ATOM 0 HE1 PHE A 75 30.074 -18.973 1.845 1.00 21.42 H new ATOM 0 HE2 PHE A 75 33.378 -16.528 2.972 1.00 24.20 H new ATOM 0 HZ PHE A 75 32.431 -18.756 2.529 1.00 33.30 H new ATOM 938 N LYS A 76 26.562 -13.110 1.355 1.00 32.14 N ATOM 939 CA LYS A 76 25.157 -12.920 1.698 1.00 41.13 C ATOM 940 C LYS A 76 24.253 -13.668 0.724 1.00 64.32 C ATOM 941 O LYS A 76 23.507 -14.563 1.118 1.00 74.44 O ATOM 942 CB LYS A 76 24.807 -11.430 1.693 1.00 4.01 C ATOM 943 CG LYS A 76 24.852 -10.790 3.069 1.00 15.13 C ATOM 944 CD LYS A 76 24.992 -9.280 2.979 1.00 54.22 C ATOM 945 CE LYS A 76 25.884 -8.736 4.084 1.00 63.14 C ATOM 946 NZ LYS A 76 25.424 -7.403 4.563 1.00 72.11 N ATOM 0 H LYS A 76 27.116 -12.253 1.354 1.00 32.14 H new ATOM 0 HA LYS A 76 24.995 -13.322 2.698 1.00 41.13 H new ATOM 0 HB2 LYS A 76 25.499 -10.905 1.035 1.00 4.01 H new ATOM 0 HB3 LYS A 76 23.809 -11.301 1.274 1.00 4.01 H new ATOM 0 HG2 LYS A 76 23.943 -11.040 3.617 1.00 15.13 H new ATOM 0 HG3 LYS A 76 25.688 -11.200 3.635 1.00 15.13 H new ATOM 0 HD2 LYS A 76 25.407 -9.009 2.008 1.00 54.22 H new ATOM 0 HD3 LYS A 76 24.007 -8.818 3.044 1.00 54.22 H new ATOM 0 HE2 LYS A 76 25.897 -9.437 4.919 1.00 63.14 H new ATOM 0 HE3 LYS A 76 26.908 -8.657 3.718 1.00 63.14 H new ATOM 0 HZ1 LYS A 76 25.600 -7.322 5.585 1.00 72.11 H new ATOM 0 HZ2 LYS A 76 25.945 -6.655 4.062 1.00 72.11 H new ATOM 0 HZ3 LYS A 76 24.406 -7.300 4.377 1.00 72.11 H new ATOM 960 N MET A 77 24.328 -13.296 -0.551 1.00 71.10 N ATOM 961 CA MET A 77 23.518 -13.935 -1.581 1.00 54.23 C ATOM 962 C MET A 77 23.954 -15.381 -1.797 1.00 23.11 C ATOM 963 O MET A 77 23.159 -16.223 -2.213 1.00 15.10 O ATOM 964 CB MET A 77 23.620 -13.157 -2.895 1.00 35.40 C ATOM 965 CG MET A 77 25.050 -12.859 -3.316 1.00 13.30 C ATOM 966 SD MET A 77 25.149 -12.081 -4.939 1.00 34.32 S ATOM 967 CE MET A 77 26.236 -13.220 -5.794 1.00 54.32 C ATOM 0 H MET A 77 24.941 -12.556 -0.894 1.00 71.10 H new ATOM 0 HA MET A 77 22.481 -13.934 -1.246 1.00 54.23 H new ATOM 0 HB2 MET A 77 23.129 -13.727 -3.684 1.00 35.40 H new ATOM 0 HB3 MET A 77 23.076 -12.218 -2.795 1.00 35.40 H new ATOM 0 HG2 MET A 77 25.514 -12.207 -2.576 1.00 13.30 H new ATOM 0 HG3 MET A 77 25.622 -13.787 -3.327 1.00 13.30 H new ATOM 0 HE1 MET A 77 26.394 -12.874 -6.815 1.00 54.32 H new ATOM 0 HE2 MET A 77 27.193 -13.269 -5.275 1.00 54.32 H new ATOM 0 HE3 MET A 77 25.783 -14.211 -5.813 1.00 54.32 H new ATOM 977 N ALA A 78 25.221 -15.660 -1.514 1.00 3.24 N ATOM 978 CA ALA A 78 25.762 -17.004 -1.675 1.00 20.31 C ATOM 979 C ALA A 78 24.922 -18.029 -0.920 1.00 12.11 C ATOM 980 O ALA A 78 24.656 -19.120 -1.423 1.00 62.41 O ATOM 981 CB ALA A 78 27.207 -17.053 -1.201 1.00 41.02 C ATOM 0 H ALA A 78 25.893 -14.973 -1.172 1.00 3.24 H new ATOM 0 HA ALA A 78 25.730 -17.256 -2.735 1.00 20.31 H new ATOM 0 HB1 ALA A 78 27.597 -18.063 -1.327 1.00 41.02 H new ATOM 0 HB2 ALA A 78 27.806 -16.356 -1.787 1.00 41.02 H new ATOM 0 HB3 ALA A 78 27.254 -16.775 -0.148 1.00 41.02 H new ATOM 987 N VAL A 79 24.505 -17.669 0.290 1.00 24.41 N ATOM 988 CA VAL A 79 23.695 -18.557 1.114 1.00 75.20 C ATOM 989 C VAL A 79 22.211 -18.227 0.983 1.00 24.43 C ATOM 990 O VAL A 79 21.394 -18.673 1.787 1.00 21.14 O ATOM 991 CB VAL A 79 24.099 -18.471 2.598 1.00 21.34 C ATOM 992 CG1 VAL A 79 25.602 -18.286 2.732 1.00 43.40 C ATOM 993 CG2 VAL A 79 23.350 -17.341 3.289 1.00 21.21 C ATOM 0 H VAL A 79 24.715 -16.769 0.721 1.00 24.41 H new ATOM 0 HA VAL A 79 23.873 -19.571 0.755 1.00 75.20 H new ATOM 0 HB VAL A 79 23.828 -19.407 3.086 1.00 21.34 H new ATOM 0 HG11 VAL A 79 25.869 -18.227 3.787 1.00 43.40 H new ATOM 0 HG12 VAL A 79 26.115 -19.132 2.275 1.00 43.40 H new ATOM 0 HG13 VAL A 79 25.901 -17.366 2.230 1.00 43.40 H new ATOM 0 HG21 VAL A 79 23.647 -17.295 4.337 1.00 21.21 H new ATOM 0 HG22 VAL A 79 23.588 -16.395 2.802 1.00 21.21 H new ATOM 0 HG23 VAL A 79 22.277 -17.522 3.224 1.00 21.21 H new ATOM 1003 N GLN A 80 21.874 -17.446 -0.037 1.00 51.04 N ATOM 1004 CA GLN A 80 20.488 -17.056 -0.274 1.00 3.13 C ATOM 1005 C GLN A 80 19.998 -16.104 0.812 1.00 15.25 C ATOM 1006 O GLN A 80 18.814 -16.090 1.152 1.00 73.33 O ATOM 1007 CB GLN A 80 19.590 -18.294 -0.328 1.00 45.50 C ATOM 1008 CG GLN A 80 20.191 -19.447 -1.115 1.00 33.11 C ATOM 1009 CD GLN A 80 19.174 -20.142 -1.999 1.00 41.34 C ATOM 1010 OE1 GLN A 80 18.321 -20.887 -1.516 1.00 23.13 O ATOM 1011 NE2 GLN A 80 19.259 -19.901 -3.303 1.00 14.32 N ATOM 0 H GLN A 80 22.540 -17.071 -0.712 1.00 51.04 H new ATOM 0 HA GLN A 80 20.440 -16.540 -1.233 1.00 3.13 H new ATOM 0 HB2 GLN A 80 19.384 -18.628 0.689 1.00 45.50 H new ATOM 0 HB3 GLN A 80 18.634 -18.020 -0.774 1.00 45.50 H new ATOM 0 HG2 GLN A 80 21.008 -19.074 -1.732 1.00 33.11 H new ATOM 0 HG3 GLN A 80 20.619 -20.171 -0.422 1.00 33.11 H new ATOM 0 HE21 GLN A 80 19.982 -19.276 -3.660 1.00 14.32 H new ATOM 0 HE22 GLN A 80 18.601 -20.341 -3.947 1.00 14.32 H new ATOM 1020 N LEU A 81 20.914 -15.310 1.355 1.00 73.31 N ATOM 1021 CA LEU A 81 20.575 -14.355 2.404 1.00 34.30 C ATOM 1022 C LEU A 81 21.010 -12.945 2.017 1.00 70.41 C ATOM 1023 O LEU A 81 22.158 -12.557 2.233 1.00 61.25 O ATOM 1024 CB LEU A 81 21.234 -14.760 3.723 1.00 22.44 C ATOM 1025 CG LEU A 81 20.532 -15.867 4.511 1.00 4.44 C ATOM 1026 CD1 LEU A 81 21.202 -16.067 5.862 1.00 3.42 C ATOM 1027 CD2 LEU A 81 19.056 -15.541 4.690 1.00 62.22 C ATOM 0 H LEU A 81 21.898 -15.309 1.086 1.00 73.31 H new ATOM 0 HA LEU A 81 19.492 -14.360 2.530 1.00 34.30 H new ATOM 0 HB2 LEU A 81 22.254 -15.082 3.513 1.00 22.44 H new ATOM 0 HB3 LEU A 81 21.303 -13.877 4.358 1.00 22.44 H new ATOM 0 HG LEU A 81 20.613 -16.796 3.946 1.00 4.44 H new ATOM 0 HD11 LEU A 81 20.689 -16.858 6.409 1.00 3.42 H new ATOM 0 HD12 LEU A 81 22.245 -16.346 5.713 1.00 3.42 H new ATOM 0 HD13 LEU A 81 21.152 -15.140 6.434 1.00 3.42 H new ATOM 0 HD21 LEU A 81 18.573 -16.340 5.253 1.00 62.22 H new ATOM 0 HD22 LEU A 81 18.954 -14.601 5.233 1.00 62.22 H new ATOM 0 HD23 LEU A 81 18.583 -15.448 3.712 1.00 62.22 H new ATOM 1039 N PHE A 82 20.083 -12.181 1.446 1.00 24.45 N ATOM 1040 CA PHE A 82 20.371 -10.813 1.031 1.00 71.44 C ATOM 1041 C PHE A 82 19.126 -9.938 1.144 1.00 45.00 C ATOM 1042 O PHE A 82 19.222 -8.734 1.379 1.00 70.44 O ATOM 1043 CB PHE A 82 20.893 -10.794 -0.408 1.00 34.20 C ATOM 1044 CG PHE A 82 21.465 -9.467 -0.820 1.00 72.30 C ATOM 1045 CD1 PHE A 82 20.691 -8.549 -1.512 1.00 25.01 C ATOM 1046 CD2 PHE A 82 22.776 -9.140 -0.516 1.00 13.12 C ATOM 1047 CE1 PHE A 82 21.215 -7.328 -1.893 1.00 11.14 C ATOM 1048 CE2 PHE A 82 23.305 -7.919 -0.894 1.00 32.25 C ATOM 1049 CZ PHE A 82 22.524 -7.013 -1.583 1.00 54.13 C ATOM 0 H PHE A 82 19.128 -12.486 1.261 1.00 24.45 H new ATOM 0 HA PHE A 82 21.138 -10.411 1.694 1.00 71.44 H new ATOM 0 HB2 PHE A 82 21.659 -11.561 -0.518 1.00 34.20 H new ATOM 0 HB3 PHE A 82 20.080 -11.056 -1.085 1.00 34.20 H new ATOM 0 HD1 PHE A 82 19.667 -8.790 -1.756 1.00 25.01 H new ATOM 0 HD2 PHE A 82 23.392 -9.846 0.022 1.00 13.12 H new ATOM 0 HE1 PHE A 82 20.602 -6.621 -2.432 1.00 11.14 H new ATOM 0 HE2 PHE A 82 24.328 -7.675 -0.650 1.00 32.25 H new ATOM 0 HZ PHE A 82 22.936 -6.059 -1.879 1.00 54.13 H new TER 1059 PHE A 82