USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 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 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 MET CE :methyl -171:sc= 0 (180deg=-0.0863) USER MOD Set 2.1: A 72 GLN : amide:sc= -1.82 K(o=-2.5,f=-3.4) USER MOD Set 2.2: A 73 ASN : amide:sc= -0.695 X(o=-2.5,f=-2.7) USER MOD Set 3.1: A 25 TYR OH : rot -165:sc= 1.06 USER MOD Set 3.2: A 56 LYS NZ :NH3+ 166:sc= 1.32 (180deg=-0.0156) USER MOD Set 3.3: A 80 GLN : amide:sc= -0.391 X(o=2,f=2.4) USER MOD Single : A 23 HIS : no HE2:sc= -0.416 K(o=-0.42,f=-4.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -177:sc= -1.6 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 80:sc= -1.5 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 47 TYR OH : rot 60:sc= -3.21 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 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 102:sc= 0.22 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -140:sc= -1.48 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 76 LYS NZ :NH3+ -131:sc= 0.191 (180deg=-2.91!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 20 16.595 -6.580 19.486 1.00 1.32 N ATOM 2 CA LEU A 20 15.489 -7.072 18.673 1.00 34.13 C ATOM 3 C LEU A 20 15.645 -8.563 18.388 1.00 52.11 C ATOM 4 O LEU A 20 16.748 -9.109 18.393 1.00 60.20 O ATOM 5 CB LEU A 20 15.411 -6.296 17.357 1.00 23.01 C ATOM 6 CG LEU A 20 15.828 -4.826 17.421 1.00 50.44 C ATOM 7 CD1 LEU A 20 17.312 -4.679 17.118 1.00 52.41 C ATOM 8 CD2 LEU A 20 15.000 -3.995 16.452 1.00 40.42 C ATOM 0 HA LEU A 20 14.565 -6.921 19.231 1.00 34.13 H new ATOM 0 HB2 LEU A 20 16.040 -6.800 16.623 1.00 23.01 H new ATOM 0 HB3 LEU A 20 14.387 -6.347 16.988 1.00 23.01 H new ATOM 0 HG LEU A 20 15.646 -4.460 18.431 1.00 50.44 H new ATOM 0 HD11 LEU A 20 17.591 -3.627 17.168 1.00 52.41 H new ATOM 0 HD12 LEU A 20 17.890 -5.243 17.850 1.00 52.41 H new ATOM 0 HD13 LEU A 20 17.519 -5.062 16.119 1.00 52.41 H new ATOM 0 HD21 LEU A 20 15.310 -2.952 16.511 1.00 40.42 H new ATOM 0 HD22 LEU A 20 15.151 -4.362 15.437 1.00 40.42 H new ATOM 0 HD23 LEU A 20 13.945 -4.075 16.713 1.00 40.42 H new ATOM 20 N PRO A 21 14.514 -9.238 18.132 1.00 72.01 N ATOM 21 CA PRO A 21 14.499 -10.674 17.837 1.00 43.21 C ATOM 22 C PRO A 21 15.115 -10.993 16.479 1.00 72.22 C ATOM 23 O PRO A 21 15.482 -10.092 15.726 1.00 43.13 O ATOM 24 CB PRO A 21 13.009 -11.022 17.844 1.00 63.32 C ATOM 25 CG PRO A 21 12.319 -9.743 17.513 1.00 23.51 C ATOM 26 CD PRO A 21 13.163 -8.651 18.109 1.00 64.43 C ATOM 0 HA PRO A 21 15.087 -11.244 18.556 1.00 43.21 H new ATOM 0 HB2 PRO A 21 12.780 -11.796 17.112 1.00 63.32 H new ATOM 0 HB3 PRO A 21 12.696 -11.401 18.817 1.00 63.32 H new ATOM 0 HG2 PRO A 21 12.224 -9.618 16.434 1.00 23.51 H new ATOM 0 HG3 PRO A 21 11.310 -9.726 17.925 1.00 23.51 H new ATOM 0 HD2 PRO A 21 13.130 -7.743 17.507 1.00 64.43 H new ATOM 0 HD3 PRO A 21 12.825 -8.382 19.110 1.00 64.43 H new ATOM 34 N ALA A 22 15.223 -12.282 16.172 1.00 43.21 N ATOM 35 CA ALA A 22 15.791 -12.719 14.902 1.00 25.32 C ATOM 36 C ALA A 22 14.808 -13.598 14.134 1.00 2.24 C ATOM 37 O ALA A 22 13.821 -14.076 14.693 1.00 33.45 O ATOM 38 CB ALA A 22 17.096 -13.466 15.138 1.00 21.05 C ATOM 0 H ALA A 22 14.925 -13.041 16.785 1.00 43.21 H new ATOM 0 HA ALA A 22 15.994 -11.834 14.299 1.00 25.32 H new ATOM 0 HB1 ALA A 22 17.510 -13.787 14.182 1.00 21.05 H new ATOM 0 HB2 ALA A 22 17.807 -12.808 15.638 1.00 21.05 H new ATOM 0 HB3 ALA A 22 16.908 -14.339 15.763 1.00 21.05 H new ATOM 44 N HIS A 23 15.085 -13.804 12.851 1.00 62.01 N ATOM 45 CA HIS A 23 14.224 -14.625 12.006 1.00 3.35 C ATOM 46 C HIS A 23 14.978 -15.845 11.487 1.00 22.31 C ATOM 47 O HIS A 23 16.177 -15.795 11.215 1.00 63.44 O ATOM 48 CB HIS A 23 13.691 -13.803 10.833 1.00 44.35 C ATOM 49 CG HIS A 23 13.064 -12.507 11.246 1.00 44.43 C ATOM 50 ND1 HIS A 23 11.907 -12.434 11.993 1.00 64.41 N ATOM 51 CD2 HIS A 23 13.441 -11.227 11.013 1.00 30.11 C ATOM 52 CE1 HIS A 23 11.599 -11.167 12.200 1.00 34.33 C ATOM 53 NE2 HIS A 23 12.513 -10.414 11.616 1.00 4.23 N ATOM 0 H HIS A 23 15.898 -13.415 12.373 1.00 62.01 H new ATOM 0 HA HIS A 23 13.384 -14.968 12.610 1.00 3.35 H new ATOM 0 HB2 HIS A 23 14.509 -13.598 10.142 1.00 44.35 H new ATOM 0 HB3 HIS A 23 12.956 -14.396 10.289 1.00 44.35 H new ATOM 0 HD1 HIS A 23 11.373 -13.234 12.332 1.00 64.41 H new ATOM 0 HD2 HIS A 23 14.309 -10.906 10.457 1.00 30.11 H new ATOM 0 HE1 HIS A 23 10.744 -10.807 12.753 1.00 34.33 H new ATOM 61 N PRO A 24 14.260 -16.970 11.347 1.00 45.05 N ATOM 62 CA PRO A 24 14.841 -18.224 10.860 1.00 75.05 C ATOM 63 C PRO A 24 15.207 -18.158 9.381 1.00 64.21 C ATOM 64 O PRO A 24 14.680 -17.330 8.638 1.00 43.04 O ATOM 65 CB PRO A 24 13.723 -19.245 11.088 1.00 62.02 C ATOM 66 CG PRO A 24 12.468 -18.442 11.071 1.00 23.12 C ATOM 67 CD PRO A 24 12.826 -17.103 11.653 1.00 1.52 C ATOM 0 HA PRO A 24 15.772 -18.468 11.373 1.00 75.05 H new ATOM 0 HB2 PRO A 24 13.717 -20.006 10.308 1.00 62.02 H new ATOM 0 HB3 PRO A 24 13.848 -19.764 12.038 1.00 62.02 H new ATOM 0 HG2 PRO A 24 12.086 -18.337 10.056 1.00 23.12 H new ATOM 0 HG3 PRO A 24 11.687 -18.926 11.657 1.00 23.12 H new ATOM 0 HD2 PRO A 24 12.243 -16.300 11.202 1.00 1.52 H new ATOM 0 HD3 PRO A 24 12.639 -17.069 12.726 1.00 1.52 H new ATOM 75 N TYR A 25 16.112 -19.035 8.961 1.00 50.55 N ATOM 76 CA TYR A 25 16.551 -19.073 7.570 1.00 75.20 C ATOM 77 C TYR A 25 15.418 -19.529 6.654 1.00 5.34 C ATOM 78 O TYR A 25 15.308 -19.079 5.514 1.00 22.14 O ATOM 79 CB TYR A 25 17.752 -20.008 7.418 1.00 75.23 C ATOM 80 CG TYR A 25 18.244 -20.134 5.995 1.00 45.53 C ATOM 81 CD1 TYR A 25 17.696 -21.072 5.129 1.00 55.31 C ATOM 82 CD2 TYR A 25 19.260 -19.316 5.515 1.00 14.34 C ATOM 83 CE1 TYR A 25 18.143 -21.192 3.827 1.00 3.55 C ATOM 84 CE2 TYR A 25 19.713 -19.426 4.215 1.00 50.12 C ATOM 85 CZ TYR A 25 19.152 -20.366 3.375 1.00 13.12 C ATOM 86 OH TYR A 25 19.601 -20.480 2.079 1.00 2.20 O ATOM 0 H TYR A 25 16.556 -19.729 9.563 1.00 50.55 H new ATOM 0 HA TYR A 25 16.845 -18.064 7.280 1.00 75.20 H new ATOM 0 HB2 TYR A 25 18.567 -19.644 8.044 1.00 75.23 H new ATOM 0 HB3 TYR A 25 17.482 -20.997 7.789 1.00 75.23 H new ATOM 0 HD1 TYR A 25 16.906 -21.719 5.480 1.00 55.31 H new ATOM 0 HD2 TYR A 25 19.703 -18.581 6.171 1.00 14.34 H new ATOM 0 HE1 TYR A 25 17.706 -21.927 3.168 1.00 3.55 H new ATOM 0 HE2 TYR A 25 20.502 -18.780 3.858 1.00 50.12 H new ATOM 0 HH TYR A 25 20.455 -20.009 1.986 1.00 2.20 H new ATOM 96 N ASP A 26 14.579 -20.424 7.164 1.00 62.24 N ATOM 97 CA ASP A 26 13.453 -20.941 6.394 1.00 13.01 C ATOM 98 C ASP A 26 12.496 -19.817 6.010 1.00 71.24 C ATOM 99 O ASP A 26 11.788 -19.906 5.006 1.00 21.44 O ATOM 100 CB ASP A 26 12.708 -22.010 7.194 1.00 63.21 C ATOM 101 CG ASP A 26 11.563 -22.625 6.413 1.00 0.45 C ATOM 102 OD1 ASP A 26 11.828 -23.261 5.372 1.00 54.04 O ATOM 103 OD2 ASP A 26 10.402 -22.471 6.846 1.00 11.41 O ATOM 0 H ASP A 26 14.657 -20.806 8.106 1.00 62.24 H new ATOM 0 HA ASP A 26 13.845 -21.389 5.481 1.00 13.01 H new ATOM 0 HB2 ASP A 26 13.407 -22.794 7.486 1.00 63.21 H new ATOM 0 HB3 ASP A 26 12.322 -21.569 8.113 1.00 63.21 H new ATOM 108 N ARG A 27 12.479 -18.760 6.816 1.00 50.30 N ATOM 109 CA ARG A 27 11.607 -17.620 6.561 1.00 15.12 C ATOM 110 C ARG A 27 12.347 -16.531 5.789 1.00 31.15 C ATOM 111 O ARG A 27 11.728 -15.676 5.154 1.00 43.15 O ATOM 112 CB ARG A 27 11.075 -17.053 7.880 1.00 62.13 C ATOM 113 CG ARG A 27 9.816 -16.216 7.720 1.00 63.44 C ATOM 114 CD ARG A 27 9.405 -15.573 9.034 1.00 50.01 C ATOM 115 NE ARG A 27 8.085 -14.952 8.950 1.00 43.25 N ATOM 116 CZ ARG A 27 6.950 -15.640 8.916 1.00 72.52 C ATOM 117 NH1 ARG A 27 6.973 -16.966 8.959 1.00 13.23 N ATOM 118 NH2 ARG A 27 5.788 -15.004 8.839 1.00 61.11 N ATOM 0 H ARG A 27 13.059 -18.670 7.650 1.00 50.30 H new ATOM 0 HA ARG A 27 10.768 -17.964 5.956 1.00 15.12 H new ATOM 0 HB2 ARG A 27 10.869 -17.877 8.563 1.00 62.13 H new ATOM 0 HB3 ARG A 27 11.851 -16.442 8.342 1.00 62.13 H new ATOM 0 HG2 ARG A 27 9.985 -15.442 6.972 1.00 63.44 H new ATOM 0 HG3 ARG A 27 9.005 -16.844 7.351 1.00 63.44 H new ATOM 0 HD2 ARG A 27 9.402 -16.327 9.821 1.00 50.01 H new ATOM 0 HD3 ARG A 27 10.142 -14.821 9.316 1.00 50.01 H new ATOM 0 HE ARG A 27 8.033 -13.934 8.916 1.00 43.25 H new ATOM 0 HH11 ARG A 27 7.864 -17.459 9.018 1.00 13.23 H new ATOM 0 HH12 ARG A 27 6.100 -17.492 8.933 1.00 13.23 H new ATOM 0 HH21 ARG A 27 5.766 -13.985 8.806 1.00 61.11 H new ATOM 0 HH22 ARG A 27 4.917 -15.534 8.813 1.00 61.11 H new ATOM 132 N LEU A 28 13.673 -16.568 5.850 1.00 43.52 N ATOM 133 CA LEU A 28 14.498 -15.585 5.156 1.00 3.02 C ATOM 134 C LEU A 28 14.881 -16.079 3.765 1.00 52.23 C ATOM 135 O LEU A 28 15.302 -17.223 3.594 1.00 73.22 O ATOM 136 CB LEU A 28 15.760 -15.284 5.968 1.00 75.44 C ATOM 137 CG LEU A 28 15.630 -14.191 7.029 1.00 14.15 C ATOM 138 CD1 LEU A 28 16.500 -14.512 8.235 1.00 14.31 C ATOM 139 CD2 LEU A 28 16.002 -12.836 6.447 1.00 51.24 C ATOM 0 H LEU A 28 14.200 -17.268 6.373 1.00 43.52 H new ATOM 0 HA LEU A 28 13.915 -14.670 5.049 1.00 3.02 H new ATOM 0 HB2 LEU A 28 16.080 -16.203 6.459 1.00 75.44 H new ATOM 0 HB3 LEU A 28 16.553 -14.999 5.277 1.00 75.44 H new ATOM 0 HG LEU A 28 14.591 -14.151 7.356 1.00 14.15 H new ATOM 0 HD11 LEU A 28 16.395 -13.723 8.980 1.00 14.31 H new ATOM 0 HD12 LEU A 28 16.187 -15.463 8.667 1.00 14.31 H new ATOM 0 HD13 LEU A 28 17.542 -14.580 7.924 1.00 14.31 H new ATOM 0 HD21 LEU A 28 15.904 -12.070 7.216 1.00 51.24 H new ATOM 0 HD22 LEU A 28 17.032 -12.863 6.092 1.00 51.24 H new ATOM 0 HD23 LEU A 28 15.337 -12.602 5.615 1.00 51.24 H new ATOM 151 N LYS A 29 14.735 -15.208 2.773 1.00 54.45 N ATOM 152 CA LYS A 29 15.069 -15.553 1.395 1.00 14.32 C ATOM 153 C LYS A 29 15.960 -14.486 0.767 1.00 13.44 C ATOM 154 O LYS A 29 15.884 -13.310 1.125 1.00 14.30 O ATOM 155 CB LYS A 29 13.792 -15.719 0.566 1.00 24.20 C ATOM 156 CG LYS A 29 13.850 -16.880 -0.412 1.00 2.11 C ATOM 157 CD LYS A 29 12.460 -17.301 -0.859 1.00 42.21 C ATOM 158 CE LYS A 29 11.799 -18.215 0.160 1.00 4.14 C ATOM 159 NZ LYS A 29 10.367 -18.463 -0.163 1.00 73.31 N ATOM 0 H LYS A 29 14.387 -14.257 2.897 1.00 54.45 H new ATOM 0 HA LYS A 29 15.615 -16.497 1.405 1.00 14.32 H new ATOM 0 HB2 LYS A 29 12.947 -15.864 1.240 1.00 24.20 H new ATOM 0 HB3 LYS A 29 13.605 -14.798 0.014 1.00 24.20 H new ATOM 0 HG2 LYS A 29 14.442 -16.595 -1.282 1.00 2.11 H new ATOM 0 HG3 LYS A 29 14.355 -17.726 0.055 1.00 2.11 H new ATOM 0 HD2 LYS A 29 11.842 -16.416 -1.010 1.00 42.21 H new ATOM 0 HD3 LYS A 29 12.525 -17.812 -1.819 1.00 42.21 H new ATOM 0 HE2 LYS A 29 12.333 -19.165 0.196 1.00 4.14 H new ATOM 0 HE3 LYS A 29 11.875 -17.769 1.151 1.00 4.14 H new ATOM 0 HZ1 LYS A 29 9.953 -19.090 0.555 1.00 73.31 H new ATOM 0 HZ2 LYS A 29 9.852 -17.560 -0.172 1.00 73.31 H new ATOM 0 HZ3 LYS A 29 10.295 -18.912 -1.098 1.00 73.31 H new ATOM 173 N THR A 30 16.803 -14.903 -0.171 1.00 13.41 N ATOM 174 CA THR A 30 17.708 -13.983 -0.849 1.00 24.55 C ATOM 175 C THR A 30 16.964 -12.755 -1.358 1.00 62.00 C ATOM 176 O THR A 30 17.462 -11.632 -1.269 1.00 51.22 O ATOM 177 CB THR A 30 18.420 -14.665 -2.032 1.00 62.24 C ATOM 178 OG1 THR A 30 18.319 -16.089 -1.911 1.00 30.34 O ATOM 179 CG2 THR A 30 19.885 -14.260 -2.090 1.00 1.12 C ATOM 0 H THR A 30 16.878 -15.872 -0.479 1.00 13.41 H new ATOM 0 HA THR A 30 18.453 -13.675 -0.115 1.00 24.55 H new ATOM 0 HB THR A 30 17.934 -14.343 -2.953 1.00 62.24 H new ATOM 0 HG1 THR A 30 18.814 -16.515 -2.642 1.00 30.34 H new ATOM 0 HG21 THR A 30 20.366 -14.755 -2.934 1.00 1.12 H new ATOM 0 HG22 THR A 30 19.959 -13.179 -2.212 1.00 1.12 H new ATOM 0 HG23 THR A 30 20.381 -14.555 -1.165 1.00 1.12 H new ATOM 187 N THR A 31 15.766 -12.973 -1.893 1.00 42.43 N ATOM 188 CA THR A 31 14.953 -11.884 -2.417 1.00 50.24 C ATOM 189 C THR A 31 13.548 -11.912 -1.825 1.00 60.03 C ATOM 190 O THR A 31 12.562 -11.714 -2.534 1.00 74.43 O ATOM 191 CB THR A 31 14.852 -11.946 -3.953 1.00 74.20 C ATOM 192 OG1 THR A 31 14.308 -13.209 -4.357 1.00 11.44 O ATOM 193 CG2 THR A 31 16.217 -11.749 -4.594 1.00 24.35 C ATOM 0 H THR A 31 15.338 -13.895 -1.974 1.00 42.43 H new ATOM 0 HA THR A 31 15.447 -10.956 -2.130 1.00 50.24 H new ATOM 0 HB THR A 31 14.193 -11.143 -4.284 1.00 74.20 H new ATOM 0 HG1 THR A 31 14.245 -13.240 -5.334 1.00 11.44 H new ATOM 0 HG21 THR A 31 16.120 -11.797 -5.679 1.00 24.35 H new ATOM 0 HG22 THR A 31 16.616 -10.776 -4.308 1.00 24.35 H new ATOM 0 HG23 THR A 31 16.895 -12.533 -4.255 1.00 24.35 H new ATOM 201 N SER A 32 13.465 -12.157 -0.521 1.00 62.23 N ATOM 202 CA SER A 32 12.181 -12.213 0.166 1.00 74.34 C ATOM 203 C SER A 32 11.687 -10.812 0.512 1.00 23.34 C ATOM 204 O SER A 32 12.471 -9.864 0.581 1.00 71.04 O ATOM 205 CB SER A 32 12.295 -13.056 1.437 1.00 30.23 C ATOM 206 OG SER A 32 11.554 -12.480 2.499 1.00 55.01 O ATOM 0 H SER A 32 14.272 -12.320 0.081 1.00 62.23 H new ATOM 0 HA SER A 32 11.458 -12.677 -0.505 1.00 74.34 H new ATOM 0 HB2 SER A 32 11.932 -14.065 1.242 1.00 30.23 H new ATOM 0 HB3 SER A 32 13.342 -13.144 1.726 1.00 30.23 H new ATOM 0 HG SER A 32 11.642 -13.038 3.300 1.00 55.01 H new ATOM 212 N THR A 33 10.382 -10.688 0.731 1.00 51.10 N ATOM 213 CA THR A 33 9.782 -9.404 1.070 1.00 50.25 C ATOM 214 C THR A 33 9.041 -9.476 2.400 1.00 63.03 C ATOM 215 O THR A 33 8.415 -8.506 2.825 1.00 31.24 O ATOM 216 CB THR A 33 8.805 -8.934 -0.025 1.00 64.34 C ATOM 217 OG1 THR A 33 7.956 -10.017 -0.421 1.00 12.53 O ATOM 218 CG2 THR A 33 9.562 -8.407 -1.235 1.00 75.15 C ATOM 0 H THR A 33 9.720 -11.462 0.680 1.00 51.10 H new ATOM 0 HA THR A 33 10.598 -8.686 1.151 1.00 50.25 H new ATOM 0 HB THR A 33 8.197 -8.127 0.383 1.00 64.34 H new ATOM 0 HG1 THR A 33 7.337 -9.710 -1.116 1.00 12.53 H new ATOM 0 HG21 THR A 33 8.852 -8.081 -1.995 1.00 75.15 H new ATOM 0 HG22 THR A 33 10.185 -7.564 -0.936 1.00 75.15 H new ATOM 0 HG23 THR A 33 10.192 -9.198 -1.643 1.00 75.15 H new ATOM 226 N ASP A 34 9.117 -10.631 3.051 1.00 74.14 N ATOM 227 CA ASP A 34 8.454 -10.830 4.334 1.00 11.13 C ATOM 228 C ASP A 34 8.818 -9.717 5.313 1.00 42.24 C ATOM 229 O ASP A 34 9.818 -9.016 5.149 1.00 55.54 O ATOM 230 CB ASP A 34 8.834 -12.189 4.925 1.00 43.31 C ATOM 231 CG ASP A 34 7.718 -13.207 4.802 1.00 3.30 C ATOM 232 OD1 ASP A 34 7.342 -13.803 5.833 1.00 10.01 O ATOM 233 OD2 ASP A 34 7.219 -13.406 3.674 1.00 34.14 O ATOM 0 H ASP A 34 9.631 -11.444 2.711 1.00 74.14 H new ATOM 0 HA ASP A 34 7.377 -10.804 4.165 1.00 11.13 H new ATOM 0 HB2 ASP A 34 9.723 -12.566 4.419 1.00 43.31 H new ATOM 0 HB3 ASP A 34 9.094 -12.065 5.976 1.00 43.31 H new ATOM 238 N PRO A 35 7.990 -9.549 6.353 1.00 14.32 N ATOM 239 CA PRO A 35 8.204 -8.522 7.378 1.00 20.30 C ATOM 240 C PRO A 35 9.409 -8.827 8.261 1.00 41.33 C ATOM 241 O PRO A 35 9.893 -9.958 8.299 1.00 64.22 O ATOM 242 CB PRO A 35 6.914 -8.568 8.201 1.00 63.12 C ATOM 243 CG PRO A 35 6.390 -9.949 8.007 1.00 14.53 C ATOM 244 CD PRO A 35 6.780 -10.349 6.611 1.00 4.22 C ATOM 0 HA PRO A 35 8.412 -7.546 6.940 1.00 20.30 H new ATOM 0 HB2 PRO A 35 7.108 -8.363 9.254 1.00 63.12 H new ATOM 0 HB3 PRO A 35 6.198 -7.821 7.857 1.00 63.12 H new ATOM 0 HG2 PRO A 35 6.814 -10.634 8.742 1.00 14.53 H new ATOM 0 HG3 PRO A 35 5.308 -9.977 8.133 1.00 14.53 H new ATOM 0 HD2 PRO A 35 6.982 -11.418 6.541 1.00 4.22 H new ATOM 0 HD3 PRO A 35 5.990 -10.126 5.894 1.00 4.22 H new ATOM 252 N VAL A 36 9.890 -7.809 8.969 1.00 63.44 N ATOM 253 CA VAL A 36 11.039 -7.969 9.853 1.00 73.03 C ATOM 254 C VAL A 36 10.824 -7.233 11.171 1.00 63.25 C ATOM 255 O VAL A 36 9.841 -6.512 11.338 1.00 12.41 O ATOM 256 CB VAL A 36 12.331 -7.452 9.193 1.00 55.11 C ATOM 257 CG1 VAL A 36 12.920 -8.509 8.272 1.00 63.34 C ATOM 258 CG2 VAL A 36 12.061 -6.161 8.434 1.00 23.40 C ATOM 0 H VAL A 36 9.502 -6.866 8.947 1.00 63.44 H new ATOM 0 HA VAL A 36 11.142 -9.036 10.049 1.00 73.03 H new ATOM 0 HB VAL A 36 13.059 -7.241 9.976 1.00 55.11 H new ATOM 0 HG11 VAL A 36 13.832 -8.126 7.815 1.00 63.34 H new ATOM 0 HG12 VAL A 36 13.152 -9.405 8.848 1.00 63.34 H new ATOM 0 HG13 VAL A 36 12.199 -8.755 7.492 1.00 63.34 H new ATOM 0 HG21 VAL A 36 12.984 -5.810 7.974 1.00 23.40 H new ATOM 0 HG22 VAL A 36 11.316 -6.343 7.659 1.00 23.40 H new ATOM 0 HG23 VAL A 36 11.689 -5.404 9.124 1.00 23.40 H new ATOM 268 N SER A 37 11.751 -7.420 12.105 1.00 63.12 N ATOM 269 CA SER A 37 11.662 -6.777 13.410 1.00 44.01 C ATOM 270 C SER A 37 12.314 -5.398 13.381 1.00 13.32 C ATOM 271 O SER A 37 12.553 -4.790 14.425 1.00 34.21 O ATOM 272 CB SER A 37 12.329 -7.647 14.478 1.00 40.04 C ATOM 273 OG SER A 37 11.664 -7.525 15.723 1.00 65.32 O ATOM 0 H SER A 37 12.573 -8.012 11.982 1.00 63.12 H new ATOM 0 HA SER A 37 10.607 -6.656 13.657 1.00 44.01 H new ATOM 0 HB2 SER A 37 12.322 -8.689 14.159 1.00 40.04 H new ATOM 0 HB3 SER A 37 13.373 -7.355 14.590 1.00 40.04 H new ATOM 0 HG SER A 37 10.860 -8.085 15.721 1.00 65.32 H new ATOM 279 N ASP A 38 12.599 -4.910 12.178 1.00 30.14 N ATOM 280 CA ASP A 38 13.223 -3.603 12.012 1.00 52.52 C ATOM 281 C ASP A 38 14.658 -3.616 12.526 1.00 44.21 C ATOM 282 O ASP A 38 14.926 -3.216 13.660 1.00 60.12 O ATOM 283 CB ASP A 38 12.415 -2.532 12.746 1.00 14.34 C ATOM 284 CG ASP A 38 12.599 -1.153 12.144 1.00 53.21 C ATOM 285 OD1 ASP A 38 13.641 -0.520 12.416 1.00 62.52 O ATOM 286 OD2 ASP A 38 11.701 -0.705 11.400 1.00 32.34 O ATOM 0 H ASP A 38 12.408 -5.400 11.304 1.00 30.14 H new ATOM 0 HA ASP A 38 13.240 -3.369 10.948 1.00 52.52 H new ATOM 0 HB2 ASP A 38 11.358 -2.798 12.721 1.00 14.34 H new ATOM 0 HB3 ASP A 38 12.714 -2.510 13.794 1.00 14.34 H new ATOM 291 N ILE A 39 15.578 -4.077 11.686 1.00 24.23 N ATOM 292 CA ILE A 39 16.987 -4.142 12.056 1.00 34.54 C ATOM 293 C ILE A 39 17.881 -3.741 10.888 1.00 73.44 C ATOM 294 O ILE A 39 17.401 -3.254 9.864 1.00 41.30 O ATOM 295 CB ILE A 39 17.381 -5.555 12.528 1.00 11.42 C ATOM 296 CG1 ILE A 39 16.239 -6.540 12.267 1.00 5.04 C ATOM 297 CG2 ILE A 39 17.745 -5.536 14.005 1.00 13.40 C ATOM 298 CD1 ILE A 39 16.534 -7.945 12.742 1.00 5.14 C ATOM 0 H ILE A 39 15.373 -4.411 10.744 1.00 24.23 H new ATOM 0 HA ILE A 39 17.130 -3.440 12.878 1.00 34.54 H new ATOM 0 HB ILE A 39 18.254 -5.882 11.963 1.00 11.42 H new ATOM 0 HG12 ILE A 39 15.338 -6.179 12.763 1.00 5.04 H new ATOM 0 HG13 ILE A 39 16.027 -6.563 11.198 1.00 5.04 H new ATOM 0 HG21 ILE A 39 18.021 -6.541 14.325 1.00 13.40 H new ATOM 0 HG22 ILE A 39 18.586 -4.861 14.164 1.00 13.40 H new ATOM 0 HG23 ILE A 39 16.889 -5.193 14.586 1.00 13.40 H new ATOM 0 HD11 ILE A 39 15.682 -8.589 12.525 1.00 5.14 H new ATOM 0 HD12 ILE A 39 17.417 -8.325 12.228 1.00 5.14 H new ATOM 0 HD13 ILE A 39 16.717 -7.935 13.817 1.00 5.14 H new ATOM 310 N ASP A 40 19.183 -3.952 11.047 1.00 63.00 N ATOM 311 CA ASP A 40 20.145 -3.616 10.004 1.00 22.14 C ATOM 312 C ASP A 40 19.667 -4.109 8.643 1.00 74.33 C ATOM 313 O ASP A 40 19.848 -5.277 8.295 1.00 12.22 O ATOM 314 CB ASP A 40 21.512 -4.220 10.327 1.00 23.34 C ATOM 315 CG ASP A 40 22.086 -3.691 11.628 1.00 72.24 C ATOM 316 OD1 ASP A 40 21.496 -2.750 12.197 1.00 11.23 O ATOM 317 OD2 ASP A 40 23.124 -4.220 12.076 1.00 30.32 O ATOM 0 H ASP A 40 19.596 -4.354 11.888 1.00 63.00 H new ATOM 0 HA ASP A 40 20.236 -2.530 9.965 1.00 22.14 H new ATOM 0 HB2 ASP A 40 21.422 -5.305 10.387 1.00 23.34 H new ATOM 0 HB3 ASP A 40 22.204 -4.003 9.513 1.00 23.34 H new ATOM 322 N VAL A 41 19.052 -3.214 7.876 1.00 65.23 N ATOM 323 CA VAL A 41 18.546 -3.559 6.552 1.00 3.25 C ATOM 324 C VAL A 41 19.674 -4.024 5.637 1.00 4.25 C ATOM 325 O VAL A 41 19.531 -5.005 4.907 1.00 65.22 O ATOM 326 CB VAL A 41 17.829 -2.364 5.898 1.00 54.31 C ATOM 327 CG1 VAL A 41 17.381 -2.718 4.487 1.00 14.10 C ATOM 328 CG2 VAL A 41 16.646 -1.923 6.746 1.00 35.24 C ATOM 0 H VAL A 41 18.892 -2.244 8.149 1.00 65.23 H new ATOM 0 HA VAL A 41 17.833 -4.372 6.687 1.00 3.25 H new ATOM 0 HB VAL A 41 18.531 -1.532 5.834 1.00 54.31 H new ATOM 0 HG11 VAL A 41 16.876 -1.862 4.040 1.00 14.10 H new ATOM 0 HG12 VAL A 41 18.250 -2.982 3.885 1.00 14.10 H new ATOM 0 HG13 VAL A 41 16.695 -3.564 4.525 1.00 14.10 H new ATOM 0 HG21 VAL A 41 16.151 -1.077 6.268 1.00 35.24 H new ATOM 0 HG22 VAL A 41 15.941 -2.748 6.844 1.00 35.24 H new ATOM 0 HG23 VAL A 41 16.997 -1.627 7.734 1.00 35.24 H new ATOM 338 N THR A 42 20.797 -3.313 5.683 1.00 21.22 N ATOM 339 CA THR A 42 21.950 -3.652 4.858 1.00 12.12 C ATOM 340 C THR A 42 22.530 -5.005 5.253 1.00 2.13 C ATOM 341 O THR A 42 23.289 -5.611 4.496 1.00 2.53 O ATOM 342 CB THR A 42 23.052 -2.582 4.966 1.00 41.12 C ATOM 343 OG1 THR A 42 22.611 -1.506 5.802 1.00 34.51 O ATOM 344 CG2 THR A 42 23.420 -2.044 3.592 1.00 42.13 C ATOM 0 H THR A 42 20.932 -2.499 6.283 1.00 21.22 H new ATOM 0 HA THR A 42 21.599 -3.698 3.827 1.00 12.12 H new ATOM 0 HB THR A 42 23.935 -3.045 5.406 1.00 41.12 H new ATOM 0 HG1 THR A 42 23.318 -0.831 5.867 1.00 34.51 H new ATOM 0 HG21 THR A 42 24.200 -1.290 3.694 1.00 42.13 H new ATOM 0 HG22 THR A 42 23.783 -2.860 2.967 1.00 42.13 H new ATOM 0 HG23 THR A 42 22.541 -1.596 3.129 1.00 42.13 H new ATOM 352 N ARG A 43 22.168 -5.474 6.443 1.00 30.02 N ATOM 353 CA ARG A 43 22.654 -6.756 6.939 1.00 72.33 C ATOM 354 C ARG A 43 21.491 -7.690 7.260 1.00 71.42 C ATOM 355 O ARG A 43 21.459 -8.314 8.321 1.00 55.04 O ATOM 356 CB ARG A 43 23.517 -6.551 8.185 1.00 13.22 C ATOM 357 CG ARG A 43 24.776 -5.740 7.927 1.00 23.12 C ATOM 358 CD ARG A 43 24.598 -4.287 8.342 1.00 30.22 C ATOM 359 NE ARG A 43 25.758 -3.473 7.994 1.00 42.43 N ATOM 360 CZ ARG A 43 26.921 -3.538 8.632 1.00 60.33 C ATOM 361 NH1 ARG A 43 27.077 -4.378 9.646 1.00 5.41 N ATOM 362 NH2 ARG A 43 27.931 -2.764 8.255 1.00 13.23 N ATOM 0 H ARG A 43 21.540 -4.985 7.081 1.00 30.02 H new ATOM 0 HA ARG A 43 23.260 -7.214 6.157 1.00 72.33 H new ATOM 0 HB2 ARG A 43 22.923 -6.051 8.950 1.00 13.22 H new ATOM 0 HB3 ARG A 43 23.798 -7.525 8.586 1.00 13.22 H new ATOM 0 HG2 ARG A 43 25.610 -6.177 8.476 1.00 23.12 H new ATOM 0 HG3 ARG A 43 25.031 -5.789 6.868 1.00 23.12 H new ATOM 0 HD2 ARG A 43 23.710 -3.878 7.859 1.00 30.22 H new ATOM 0 HD3 ARG A 43 24.428 -4.235 9.417 1.00 30.22 H new ATOM 0 HE ARG A 43 25.671 -2.817 7.217 1.00 42.43 H new ATOM 0 HH11 ARG A 43 26.303 -4.975 9.937 1.00 5.41 H new ATOM 0 HH12 ARG A 43 27.971 -4.427 10.135 1.00 5.41 H new ATOM 0 HH21 ARG A 43 27.815 -2.118 7.474 1.00 13.23 H new ATOM 0 HH22 ARG A 43 28.824 -2.815 8.746 1.00 13.23 H new ATOM 376 N ARG A 44 20.539 -7.782 6.337 1.00 60.00 N ATOM 377 CA ARG A 44 19.375 -8.639 6.522 1.00 0.32 C ATOM 378 C ARG A 44 19.796 -10.052 6.915 1.00 65.23 C ATOM 379 O ARG A 44 19.157 -10.691 7.750 1.00 71.11 O ATOM 380 CB ARG A 44 18.537 -8.681 5.243 1.00 2.33 C ATOM 381 CG ARG A 44 17.317 -9.582 5.344 1.00 63.33 C ATOM 382 CD ARG A 44 16.031 -8.773 5.410 1.00 42.02 C ATOM 383 NE ARG A 44 15.169 -9.021 4.258 1.00 55.24 N ATOM 384 CZ ARG A 44 15.304 -8.398 3.091 1.00 22.10 C ATOM 385 NH1 ARG A 44 16.262 -7.497 2.925 1.00 53.24 N ATOM 386 NH2 ARG A 44 14.480 -8.678 2.090 1.00 45.33 N ATOM 0 H ARG A 44 20.551 -7.273 5.453 1.00 60.00 H new ATOM 0 HA ARG A 44 18.773 -8.221 7.329 1.00 0.32 H new ATOM 0 HB2 ARG A 44 18.212 -7.670 4.998 1.00 2.33 H new ATOM 0 HB3 ARG A 44 19.164 -9.023 4.419 1.00 2.33 H new ATOM 0 HG2 ARG A 44 17.284 -10.250 4.483 1.00 63.33 H new ATOM 0 HG3 ARG A 44 17.399 -10.210 6.231 1.00 63.33 H new ATOM 0 HD2 ARG A 44 15.493 -9.021 6.325 1.00 42.02 H new ATOM 0 HD3 ARG A 44 16.273 -7.711 5.460 1.00 42.02 H new ATOM 0 HE ARG A 44 14.423 -9.710 4.354 1.00 55.24 H new ATOM 0 HH11 ARG A 44 16.897 -7.281 3.693 1.00 53.24 H new ATOM 0 HH12 ARG A 44 16.364 -7.020 2.029 1.00 53.24 H new ATOM 0 HH21 ARG A 44 13.742 -9.371 2.215 1.00 45.33 H new ATOM 0 HH22 ARG A 44 14.584 -8.200 1.195 1.00 45.33 H new ATOM 400 N GLU A 45 20.875 -10.533 6.304 1.00 70.12 N ATOM 401 CA GLU A 45 21.380 -11.871 6.589 1.00 13.41 C ATOM 402 C GLU A 45 21.679 -12.034 8.076 1.00 31.22 C ATOM 403 O GLU A 45 21.577 -13.132 8.623 1.00 23.44 O ATOM 404 CB GLU A 45 22.642 -12.149 5.770 1.00 20.21 C ATOM 405 CG GLU A 45 23.862 -11.384 6.254 1.00 3.11 C ATOM 406 CD GLU A 45 23.744 -9.890 6.025 1.00 55.12 C ATOM 407 OE1 GLU A 45 23.069 -9.492 5.052 1.00 14.43 O ATOM 408 OE2 GLU A 45 24.325 -9.120 6.816 1.00 2.51 O ATOM 0 H GLU A 45 21.415 -10.017 5.610 1.00 70.12 H new ATOM 0 HA GLU A 45 20.609 -12.590 6.310 1.00 13.41 H new ATOM 0 HB2 GLU A 45 22.857 -13.217 5.801 1.00 20.21 H new ATOM 0 HB3 GLU A 45 22.453 -11.892 4.728 1.00 20.21 H new ATOM 0 HG2 GLU A 45 24.007 -11.574 7.317 1.00 3.11 H new ATOM 0 HG3 GLU A 45 24.748 -11.758 5.740 1.00 3.11 H new ATOM 415 N ALA A 46 22.049 -10.935 8.724 1.00 41.14 N ATOM 416 CA ALA A 46 22.362 -10.955 10.147 1.00 52.12 C ATOM 417 C ALA A 46 21.107 -11.191 10.982 1.00 63.43 C ATOM 418 O ALA A 46 21.190 -11.482 12.176 1.00 54.14 O ATOM 419 CB ALA A 46 23.034 -9.652 10.558 1.00 31.53 C ATOM 0 H ALA A 46 22.139 -10.019 8.285 1.00 41.14 H new ATOM 0 HA ALA A 46 23.050 -11.780 10.331 1.00 52.12 H new ATOM 0 HB1 ALA A 46 23.262 -9.681 11.623 1.00 31.53 H new ATOM 0 HB2 ALA A 46 23.957 -9.524 9.992 1.00 31.53 H new ATOM 0 HB3 ALA A 46 22.364 -8.817 10.353 1.00 31.53 H new ATOM 425 N TYR A 47 19.948 -11.064 10.347 1.00 41.02 N ATOM 426 CA TYR A 47 18.676 -11.262 11.032 1.00 13.43 C ATOM 427 C TYR A 47 18.548 -12.694 11.542 1.00 40.23 C ATOM 428 O TYR A 47 17.666 -13.004 12.344 1.00 50.43 O ATOM 429 CB TYR A 47 17.512 -10.936 10.095 1.00 53.23 C ATOM 430 CG TYR A 47 17.454 -9.483 9.682 1.00 42.41 C ATOM 431 CD1 TYR A 47 16.520 -9.040 8.753 1.00 61.32 C ATOM 432 CD2 TYR A 47 18.334 -8.551 10.221 1.00 32.41 C ATOM 433 CE1 TYR A 47 16.464 -7.713 8.373 1.00 34.25 C ATOM 434 CE2 TYR A 47 18.283 -7.222 9.848 1.00 24.02 C ATOM 435 CZ TYR A 47 17.348 -6.808 8.923 1.00 1.32 C ATOM 436 OH TYR A 47 17.295 -5.485 8.549 1.00 63.24 O ATOM 0 H TYR A 47 19.862 -10.825 9.359 1.00 41.02 H new ATOM 0 HA TYR A 47 18.645 -10.587 11.888 1.00 13.43 H new ATOM 0 HB2 TYR A 47 17.591 -11.556 9.202 1.00 53.23 H new ATOM 0 HB3 TYR A 47 16.576 -11.203 10.586 1.00 53.23 H new ATOM 0 HD1 TYR A 47 15.826 -9.745 8.321 1.00 61.32 H new ATOM 0 HD2 TYR A 47 19.070 -8.872 10.944 1.00 32.41 H new ATOM 0 HE1 TYR A 47 15.732 -7.386 7.649 1.00 34.25 H new ATOM 0 HE2 TYR A 47 18.972 -6.511 10.279 1.00 24.02 H new ATOM 0 HH TYR A 47 16.413 -5.119 8.767 1.00 63.24 H new ATOM 446 N LEU A 48 19.435 -13.563 11.071 1.00 61.41 N ATOM 447 CA LEU A 48 19.423 -14.963 11.479 1.00 70.42 C ATOM 448 C LEU A 48 20.193 -15.158 12.782 1.00 63.45 C ATOM 449 O LEU A 48 20.997 -14.311 13.171 1.00 31.25 O ATOM 450 CB LEU A 48 20.028 -15.840 10.380 1.00 2.33 C ATOM 451 CG LEU A 48 19.060 -16.780 9.663 1.00 51.44 C ATOM 452 CD1 LEU A 48 19.731 -17.420 8.457 1.00 3.24 C ATOM 453 CD2 LEU A 48 18.545 -17.846 10.617 1.00 72.20 C ATOM 0 H LEU A 48 20.171 -13.323 10.407 1.00 61.41 H new ATOM 0 HA LEU A 48 18.387 -15.259 11.643 1.00 70.42 H new ATOM 0 HB2 LEU A 48 20.489 -15.190 9.637 1.00 2.33 H new ATOM 0 HB3 LEU A 48 20.826 -16.439 10.819 1.00 2.33 H new ATOM 0 HG LEU A 48 18.210 -16.195 9.312 1.00 51.44 H new ATOM 0 HD11 LEU A 48 19.026 -18.086 7.959 1.00 3.24 H new ATOM 0 HD12 LEU A 48 20.048 -16.643 7.762 1.00 3.24 H new ATOM 0 HD13 LEU A 48 20.600 -17.991 8.784 1.00 3.24 H new ATOM 0 HD21 LEU A 48 17.857 -18.506 10.088 1.00 72.20 H new ATOM 0 HD22 LEU A 48 19.384 -18.428 11.000 1.00 72.20 H new ATOM 0 HD23 LEU A 48 18.024 -17.370 11.448 1.00 72.20 H new ATOM 465 N SER A 49 19.942 -16.280 13.450 1.00 43.55 N ATOM 466 CA SER A 49 20.610 -16.585 14.709 1.00 51.50 C ATOM 467 C SER A 49 22.097 -16.846 14.487 1.00 43.22 C ATOM 468 O SER A 49 22.506 -17.299 13.418 1.00 72.53 O ATOM 469 CB SER A 49 19.961 -17.801 15.373 1.00 5.43 C ATOM 470 OG SER A 49 19.335 -17.441 16.592 1.00 35.45 O ATOM 0 H SER A 49 19.281 -16.992 13.140 1.00 43.55 H new ATOM 0 HA SER A 49 20.505 -15.721 15.366 1.00 51.50 H new ATOM 0 HB2 SER A 49 19.226 -18.239 14.698 1.00 5.43 H new ATOM 0 HB3 SER A 49 20.717 -18.564 15.560 1.00 5.43 H new ATOM 0 HG SER A 49 18.926 -18.234 16.997 1.00 35.45 H new ATOM 476 N SER A 50 22.901 -16.554 15.505 1.00 65.25 N ATOM 477 CA SER A 50 24.343 -16.753 15.420 1.00 41.21 C ATOM 478 C SER A 50 24.670 -18.169 14.956 1.00 31.14 C ATOM 479 O SER A 50 25.700 -18.405 14.325 1.00 55.23 O ATOM 480 CB SER A 50 24.997 -16.485 16.777 1.00 11.11 C ATOM 481 OG SER A 50 24.727 -17.535 17.690 1.00 61.03 O ATOM 0 H SER A 50 22.578 -16.179 16.397 1.00 65.25 H new ATOM 0 HA SER A 50 24.739 -16.049 14.688 1.00 41.21 H new ATOM 0 HB2 SER A 50 26.074 -16.377 16.650 1.00 11.11 H new ATOM 0 HB3 SER A 50 24.628 -15.543 17.182 1.00 11.11 H new ATOM 0 HG SER A 50 25.157 -17.341 18.549 1.00 61.03 H new ATOM 487 N GLU A 51 23.786 -19.108 15.275 1.00 73.31 N ATOM 488 CA GLU A 51 23.981 -20.502 14.893 1.00 74.51 C ATOM 489 C GLU A 51 23.652 -20.712 13.417 1.00 44.12 C ATOM 490 O GLU A 51 24.499 -21.155 12.641 1.00 35.11 O ATOM 491 CB GLU A 51 23.109 -21.418 15.755 1.00 13.13 C ATOM 492 CG GLU A 51 23.210 -21.130 17.244 1.00 41.52 C ATOM 493 CD GLU A 51 22.518 -22.181 18.089 1.00 5.13 C ATOM 494 OE1 GLU A 51 22.894 -22.332 19.271 1.00 13.40 O ATOM 495 OE2 GLU A 51 21.602 -22.852 17.571 1.00 55.55 O ATOM 0 H GLU A 51 22.928 -18.929 15.797 1.00 73.31 H new ATOM 0 HA GLU A 51 25.029 -20.753 15.055 1.00 74.51 H new ATOM 0 HB2 GLU A 51 22.070 -21.315 15.443 1.00 13.13 H new ATOM 0 HB3 GLU A 51 23.395 -22.454 15.574 1.00 13.13 H new ATOM 0 HG2 GLU A 51 24.261 -21.074 17.529 1.00 41.52 H new ATOM 0 HG3 GLU A 51 22.771 -20.154 17.452 1.00 41.52 H new ATOM 502 N GLU A 52 22.419 -20.390 13.039 1.00 21.54 N ATOM 503 CA GLU A 52 21.980 -20.544 11.658 1.00 64.54 C ATOM 504 C GLU A 52 22.820 -19.683 10.720 1.00 50.04 C ATOM 505 O GLU A 52 23.372 -20.173 9.734 1.00 32.24 O ATOM 506 CB GLU A 52 20.502 -20.172 11.524 1.00 63.23 C ATOM 507 CG GLU A 52 19.561 -21.356 11.669 1.00 12.42 C ATOM 508 CD GLU A 52 19.704 -22.358 10.539 1.00 3.41 C ATOM 509 OE1 GLU A 52 20.459 -22.072 9.586 1.00 11.02 O ATOM 510 OE2 GLU A 52 19.061 -23.426 10.608 1.00 25.10 O ATOM 0 H GLU A 52 21.707 -20.021 13.670 1.00 21.54 H new ATOM 0 HA GLU A 52 22.111 -21.589 11.377 1.00 64.54 H new ATOM 0 HB2 GLU A 52 20.254 -19.427 12.280 1.00 63.23 H new ATOM 0 HB3 GLU A 52 20.340 -19.707 10.552 1.00 63.23 H new ATOM 0 HG2 GLU A 52 19.755 -21.855 12.619 1.00 12.42 H new ATOM 0 HG3 GLU A 52 18.533 -20.996 11.702 1.00 12.42 H new ATOM 517 N PHE A 53 22.912 -18.394 11.032 1.00 15.15 N ATOM 518 CA PHE A 53 23.683 -17.463 10.218 1.00 51.34 C ATOM 519 C PHE A 53 25.083 -18.006 9.947 1.00 15.12 C ATOM 520 O PHE A 53 25.497 -18.140 8.795 1.00 2.23 O ATOM 521 CB PHE A 53 23.777 -16.102 10.912 1.00 22.53 C ATOM 522 CG PHE A 53 24.862 -15.222 10.362 1.00 74.10 C ATOM 523 CD1 PHE A 53 26.161 -15.322 10.834 1.00 13.23 C ATOM 524 CD2 PHE A 53 24.583 -14.293 9.371 1.00 64.30 C ATOM 525 CE1 PHE A 53 27.161 -14.514 10.329 1.00 2.32 C ATOM 526 CE2 PHE A 53 25.580 -13.482 8.863 1.00 61.52 C ATOM 527 CZ PHE A 53 26.870 -13.592 9.343 1.00 62.01 C ATOM 0 H PHE A 53 22.462 -17.971 11.843 1.00 15.15 H new ATOM 0 HA PHE A 53 23.169 -17.342 9.264 1.00 51.34 H new ATOM 0 HB2 PHE A 53 22.820 -15.588 10.817 1.00 22.53 H new ATOM 0 HB3 PHE A 53 23.951 -16.257 11.977 1.00 22.53 H new ATOM 0 HD1 PHE A 53 26.394 -16.040 11.606 1.00 13.23 H new ATOM 0 HD2 PHE A 53 23.576 -14.202 8.992 1.00 64.30 H new ATOM 0 HE1 PHE A 53 28.170 -14.603 10.705 1.00 2.32 H new ATOM 0 HE2 PHE A 53 25.350 -12.763 8.091 1.00 61.52 H new ATOM 0 HZ PHE A 53 27.650 -12.958 8.948 1.00 62.01 H new ATOM 537 N LYS A 54 25.806 -18.317 11.017 1.00 62.33 N ATOM 538 CA LYS A 54 27.160 -18.847 10.897 1.00 34.52 C ATOM 539 C LYS A 54 27.147 -20.234 10.260 1.00 12.24 C ATOM 540 O LYS A 54 28.141 -20.668 9.679 1.00 50.12 O ATOM 541 CB LYS A 54 27.828 -18.912 12.272 1.00 71.41 C ATOM 542 CG LYS A 54 27.612 -20.232 12.991 1.00 30.34 C ATOM 543 CD LYS A 54 28.737 -21.213 12.707 1.00 62.11 C ATOM 544 CE LYS A 54 29.066 -22.054 13.931 1.00 70.01 C ATOM 545 NZ LYS A 54 30.503 -21.948 14.307 1.00 43.33 N ATOM 0 H LYS A 54 25.478 -18.212 11.977 1.00 62.33 H new ATOM 0 HA LYS A 54 27.730 -18.176 10.254 1.00 34.52 H new ATOM 0 HB2 LYS A 54 28.898 -18.742 12.155 1.00 71.41 H new ATOM 0 HB3 LYS A 54 27.443 -18.103 12.892 1.00 71.41 H new ATOM 0 HG2 LYS A 54 27.544 -20.056 14.065 1.00 30.34 H new ATOM 0 HG3 LYS A 54 26.662 -20.666 12.679 1.00 30.34 H new ATOM 0 HD2 LYS A 54 28.452 -21.866 11.882 1.00 62.11 H new ATOM 0 HD3 LYS A 54 29.626 -20.667 12.390 1.00 62.11 H new ATOM 0 HE2 LYS A 54 28.447 -21.734 14.769 1.00 70.01 H new ATOM 0 HE3 LYS A 54 28.819 -23.097 13.732 1.00 70.01 H new ATOM 0 HZ1 LYS A 54 30.687 -22.535 15.145 1.00 43.33 H new ATOM 0 HZ2 LYS A 54 31.094 -22.278 13.517 1.00 43.33 H new ATOM 0 HZ3 LYS A 54 30.734 -20.957 14.522 1.00 43.33 H new ATOM 559 N GLU A 55 26.015 -20.921 10.373 1.00 24.24 N ATOM 560 CA GLU A 55 25.875 -22.259 9.808 1.00 11.51 C ATOM 561 C GLU A 55 25.689 -22.192 8.295 1.00 20.31 C ATOM 562 O GLU A 55 26.017 -23.135 7.576 1.00 63.43 O ATOM 563 CB GLU A 55 24.689 -22.984 10.447 1.00 1.00 C ATOM 564 CG GLU A 55 25.063 -23.800 11.672 1.00 22.01 C ATOM 565 CD GLU A 55 25.238 -25.274 11.361 1.00 44.14 C ATOM 566 OE1 GLU A 55 26.169 -25.891 11.921 1.00 72.23 O ATOM 567 OE2 GLU A 55 24.446 -25.809 10.558 1.00 32.53 O ATOM 0 H GLU A 55 25.182 -20.574 10.850 1.00 24.24 H new ATOM 0 HA GLU A 55 26.788 -22.814 10.021 1.00 11.51 H new ATOM 0 HB2 GLU A 55 23.933 -22.250 10.727 1.00 1.00 H new ATOM 0 HB3 GLU A 55 24.235 -23.643 9.707 1.00 1.00 H new ATOM 0 HG2 GLU A 55 25.989 -23.410 12.095 1.00 22.01 H new ATOM 0 HG3 GLU A 55 24.291 -23.682 12.432 1.00 22.01 H new ATOM 574 N LYS A 56 25.160 -21.070 7.818 1.00 61.23 N ATOM 575 CA LYS A 56 24.931 -20.878 6.391 1.00 14.42 C ATOM 576 C LYS A 56 26.124 -20.189 5.736 1.00 1.32 C ATOM 577 O LYS A 56 26.430 -20.433 4.569 1.00 52.33 O ATOM 578 CB LYS A 56 23.663 -20.051 6.165 1.00 63.34 C ATOM 579 CG LYS A 56 22.443 -20.890 5.825 1.00 33.24 C ATOM 580 CD LYS A 56 22.414 -21.264 4.353 1.00 42.34 C ATOM 581 CE LYS A 56 21.482 -22.437 4.093 1.00 64.34 C ATOM 582 NZ LYS A 56 21.271 -22.666 2.637 1.00 24.23 N ATOM 0 H LYS A 56 24.882 -20.280 8.399 1.00 61.23 H new ATOM 0 HA LYS A 56 24.805 -21.859 5.933 1.00 14.42 H new ATOM 0 HB2 LYS A 56 23.454 -19.468 7.062 1.00 63.34 H new ATOM 0 HB3 LYS A 56 23.842 -19.341 5.358 1.00 63.34 H new ATOM 0 HG2 LYS A 56 22.443 -21.796 6.431 1.00 33.24 H new ATOM 0 HG3 LYS A 56 21.538 -20.337 6.078 1.00 33.24 H new ATOM 0 HD2 LYS A 56 22.092 -20.405 3.765 1.00 42.34 H new ATOM 0 HD3 LYS A 56 23.421 -21.518 4.021 1.00 42.34 H new ATOM 0 HE2 LYS A 56 21.897 -23.338 4.546 1.00 64.34 H new ATOM 0 HE3 LYS A 56 20.522 -22.251 4.574 1.00 64.34 H new ATOM 0 HZ1 LYS A 56 20.834 -23.598 2.492 1.00 24.23 H new ATOM 0 HZ2 LYS A 56 20.646 -21.927 2.256 1.00 24.23 H new ATOM 0 HZ3 LYS A 56 22.186 -22.632 2.144 1.00 24.23 H new ATOM 596 N PHE A 57 26.795 -19.329 6.495 1.00 0.11 N ATOM 597 CA PHE A 57 27.954 -18.606 5.989 1.00 44.44 C ATOM 598 C PHE A 57 29.251 -19.265 6.449 1.00 70.54 C ATOM 599 O PHE A 57 30.324 -18.994 5.911 1.00 54.51 O ATOM 600 CB PHE A 57 27.918 -17.148 6.455 1.00 34.51 C ATOM 601 CG PHE A 57 26.752 -16.375 5.910 1.00 52.32 C ATOM 602 CD1 PHE A 57 26.662 -16.092 4.556 1.00 5.35 C ATOM 603 CD2 PHE A 57 25.745 -15.928 6.751 1.00 41.22 C ATOM 604 CE1 PHE A 57 25.591 -15.380 4.050 1.00 2.04 C ATOM 605 CE2 PHE A 57 24.671 -15.216 6.251 1.00 21.33 C ATOM 606 CZ PHE A 57 24.595 -14.941 4.900 1.00 12.23 C ATOM 0 H PHE A 57 26.555 -19.116 7.463 1.00 0.11 H new ATOM 0 HA PHE A 57 27.919 -18.633 4.900 1.00 44.44 H new ATOM 0 HB2 PHE A 57 27.883 -17.123 7.544 1.00 34.51 H new ATOM 0 HB3 PHE A 57 28.843 -16.656 6.155 1.00 34.51 H new ATOM 0 HD1 PHE A 57 27.439 -16.432 3.888 1.00 5.35 H new ATOM 0 HD2 PHE A 57 25.800 -16.138 7.809 1.00 41.22 H new ATOM 0 HE1 PHE A 57 25.533 -15.167 2.993 1.00 2.04 H new ATOM 0 HE2 PHE A 57 23.892 -14.875 6.917 1.00 21.33 H new ATOM 0 HZ PHE A 57 23.757 -14.383 4.508 1.00 12.23 H new ATOM 616 N GLY A 58 29.143 -20.135 7.449 1.00 64.45 N ATOM 617 CA GLY A 58 30.313 -20.820 7.966 1.00 42.23 C ATOM 618 C GLY A 58 31.164 -19.928 8.849 1.00 61.43 C ATOM 619 O GLY A 58 32.205 -20.353 9.350 1.00 32.24 O ATOM 0 H GLY A 58 28.266 -20.377 7.910 1.00 64.45 H new ATOM 0 HA2 GLY A 58 29.997 -21.694 8.535 1.00 42.23 H new ATOM 0 HA3 GLY A 58 30.915 -21.183 7.133 1.00 42.23 H new ATOM 623 N MET A 59 30.722 -18.689 9.037 1.00 63.51 N ATOM 624 CA MET A 59 31.452 -17.736 9.864 1.00 11.31 C ATOM 625 C MET A 59 30.522 -17.067 10.871 1.00 51.34 C ATOM 626 O MET A 59 29.379 -16.736 10.551 1.00 35.12 O ATOM 627 CB MET A 59 32.123 -16.676 8.989 1.00 55.35 C ATOM 628 CG MET A 59 32.750 -17.240 7.724 1.00 21.54 C ATOM 629 SD MET A 59 34.150 -18.324 8.067 1.00 14.23 S ATOM 630 CE MET A 59 34.241 -19.254 6.540 1.00 40.35 C ATOM 0 H MET A 59 29.863 -18.322 8.628 1.00 63.51 H new ATOM 0 HA MET A 59 32.220 -18.282 10.412 1.00 11.31 H new ATOM 0 HB2 MET A 59 31.384 -15.923 8.714 1.00 55.35 H new ATOM 0 HB3 MET A 59 32.893 -16.170 9.572 1.00 55.35 H new ATOM 0 HG2 MET A 59 31.996 -17.793 7.165 1.00 21.54 H new ATOM 0 HG3 MET A 59 33.079 -16.418 7.088 1.00 21.54 H new ATOM 0 HE1 MET A 59 35.062 -19.969 6.598 1.00 40.35 H new ATOM 0 HE2 MET A 59 33.304 -19.789 6.383 1.00 40.35 H new ATOM 0 HE3 MET A 59 34.413 -18.571 5.708 1.00 40.35 H new ATOM 640 N THR A 60 31.018 -16.868 12.088 1.00 34.23 N ATOM 641 CA THR A 60 30.230 -16.239 13.141 1.00 60.11 C ATOM 642 C THR A 60 29.947 -14.777 12.817 1.00 50.53 C ATOM 643 O THR A 60 30.253 -14.302 11.723 1.00 53.51 O ATOM 644 CB THR A 60 30.944 -16.323 14.503 1.00 65.00 C ATOM 645 OG1 THR A 60 32.095 -15.471 14.506 1.00 42.14 O ATOM 646 CG2 THR A 60 31.365 -17.752 14.806 1.00 31.33 C ATOM 0 H THR A 60 31.962 -17.133 12.369 1.00 34.23 H new ATOM 0 HA THR A 60 29.288 -16.784 13.199 1.00 60.11 H new ATOM 0 HB THR A 60 30.247 -15.995 15.274 1.00 65.00 H new ATOM 0 HG1 THR A 60 31.890 -14.646 14.993 1.00 42.14 H new ATOM 0 HG21 THR A 60 31.867 -17.786 15.773 1.00 31.33 H new ATOM 0 HG22 THR A 60 30.484 -18.393 14.832 1.00 31.33 H new ATOM 0 HG23 THR A 60 32.046 -18.103 14.031 1.00 31.33 H new ATOM 654 N LYS A 61 29.363 -14.065 13.776 1.00 73.43 N ATOM 655 CA LYS A 61 29.041 -12.655 13.594 1.00 74.42 C ATOM 656 C LYS A 61 30.309 -11.821 13.447 1.00 3.00 C ATOM 657 O LYS A 61 30.444 -11.042 12.505 1.00 41.54 O ATOM 658 CB LYS A 61 28.215 -12.143 14.777 1.00 50.34 C ATOM 659 CG LYS A 61 28.841 -12.439 16.129 1.00 63.12 C ATOM 660 CD LYS A 61 27.786 -12.771 17.170 1.00 25.32 C ATOM 661 CE LYS A 61 28.416 -13.293 18.454 1.00 52.04 C ATOM 662 NZ LYS A 61 27.418 -13.409 19.553 1.00 74.22 N ATOM 0 H LYS A 61 29.103 -14.442 14.687 1.00 73.43 H new ATOM 0 HA LYS A 61 28.456 -12.557 12.680 1.00 74.42 H new ATOM 0 HB2 LYS A 61 28.080 -11.066 14.676 1.00 50.34 H new ATOM 0 HB3 LYS A 61 27.223 -12.593 14.739 1.00 50.34 H new ATOM 0 HG2 LYS A 61 29.536 -13.274 16.035 1.00 63.12 H new ATOM 0 HG3 LYS A 61 29.421 -11.577 16.459 1.00 63.12 H new ATOM 0 HD2 LYS A 61 27.196 -11.881 17.388 1.00 25.32 H new ATOM 0 HD3 LYS A 61 27.100 -13.518 16.770 1.00 25.32 H new ATOM 0 HE2 LYS A 61 28.866 -14.268 18.268 1.00 52.04 H new ATOM 0 HE3 LYS A 61 29.220 -12.624 18.762 1.00 52.04 H new ATOM 0 HZ1 LYS A 61 27.885 -13.768 20.410 1.00 74.22 H new ATOM 0 HZ2 LYS A 61 27.007 -12.474 19.748 1.00 74.22 H new ATOM 0 HZ3 LYS A 61 26.664 -14.067 19.269 1.00 74.22 H new ATOM 676 N GLU A 62 31.236 -11.992 14.384 1.00 61.34 N ATOM 677 CA GLU A 62 32.494 -11.255 14.357 1.00 22.32 C ATOM 678 C GLU A 62 33.412 -11.784 13.258 1.00 71.52 C ATOM 679 O GLU A 62 34.212 -11.042 12.691 1.00 52.40 O ATOM 680 CB GLU A 62 33.197 -11.351 15.713 1.00 31.31 C ATOM 681 CG GLU A 62 32.874 -10.198 16.649 1.00 73.14 C ATOM 682 CD GLU A 62 33.410 -10.416 18.050 1.00 23.41 C ATOM 683 OE1 GLU A 62 33.233 -11.531 18.586 1.00 11.21 O ATOM 684 OE2 GLU A 62 34.008 -9.474 18.611 1.00 40.04 O ATOM 0 H GLU A 62 31.140 -12.634 15.171 1.00 61.34 H new ATOM 0 HA GLU A 62 32.268 -10.210 14.146 1.00 22.32 H new ATOM 0 HB2 GLU A 62 32.915 -12.288 16.193 1.00 31.31 H new ATOM 0 HB3 GLU A 62 34.275 -11.387 15.552 1.00 31.31 H new ATOM 0 HG2 GLU A 62 33.293 -9.277 16.243 1.00 73.14 H new ATOM 0 HG3 GLU A 62 31.793 -10.064 16.694 1.00 73.14 H new ATOM 691 N ALA A 63 33.289 -13.075 12.964 1.00 45.24 N ATOM 692 CA ALA A 63 34.106 -13.704 11.933 1.00 34.21 C ATOM 693 C ALA A 63 33.667 -13.262 10.541 1.00 63.35 C ATOM 694 O ALA A 63 34.484 -12.813 9.736 1.00 13.03 O ATOM 695 CB ALA A 63 34.034 -15.220 12.055 1.00 43.41 C ATOM 0 H ALA A 63 32.632 -13.705 13.425 1.00 45.24 H new ATOM 0 HA ALA A 63 35.139 -13.387 12.078 1.00 34.21 H new ATOM 0 HB1 ALA A 63 34.648 -15.677 11.279 1.00 43.41 H new ATOM 0 HB2 ALA A 63 34.402 -15.524 13.035 1.00 43.41 H new ATOM 0 HB3 ALA A 63 33.000 -15.546 11.938 1.00 43.41 H new ATOM 701 N PHE A 64 32.375 -13.395 10.263 1.00 43.20 N ATOM 702 CA PHE A 64 31.829 -13.010 8.966 1.00 34.04 C ATOM 703 C PHE A 64 32.052 -11.524 8.701 1.00 43.33 C ATOM 704 O PHE A 64 32.652 -11.145 7.693 1.00 24.24 O ATOM 705 CB PHE A 64 30.334 -13.332 8.902 1.00 1.21 C ATOM 706 CG PHE A 64 29.752 -13.209 7.523 1.00 4.43 C ATOM 707 CD1 PHE A 64 29.755 -14.290 6.657 1.00 75.34 C ATOM 708 CD2 PHE A 64 29.205 -12.011 7.093 1.00 72.45 C ATOM 709 CE1 PHE A 64 29.220 -14.180 5.387 1.00 20.30 C ATOM 710 CE2 PHE A 64 28.668 -11.896 5.824 1.00 52.43 C ATOM 711 CZ PHE A 64 28.677 -12.981 4.970 1.00 61.41 C ATOM 0 H PHE A 64 31.686 -13.766 10.917 1.00 43.20 H new ATOM 0 HA PHE A 64 32.350 -13.580 8.197 1.00 34.04 H new ATOM 0 HB2 PHE A 64 30.173 -14.347 9.266 1.00 1.21 H new ATOM 0 HB3 PHE A 64 29.797 -12.663 9.575 1.00 1.21 H new ATOM 0 HD1 PHE A 64 30.180 -15.230 6.978 1.00 75.34 H new ATOM 0 HD2 PHE A 64 29.198 -11.158 7.756 1.00 72.45 H new ATOM 0 HE1 PHE A 64 29.227 -15.031 4.722 1.00 20.30 H new ATOM 0 HE2 PHE A 64 28.242 -10.958 5.501 1.00 52.43 H new ATOM 0 HZ PHE A 64 28.260 -12.892 3.978 1.00 61.41 H new ATOM 721 N TYR A 65 31.566 -10.687 9.610 1.00 33.11 N ATOM 722 CA TYR A 65 31.709 -9.242 9.474 1.00 65.33 C ATOM 723 C TYR A 65 33.172 -8.857 9.275 1.00 50.11 C ATOM 724 O TYR A 65 33.479 -7.811 8.701 1.00 35.13 O ATOM 725 CB TYR A 65 31.147 -8.535 10.707 1.00 53.51 C ATOM 726 CG TYR A 65 29.638 -8.430 10.710 1.00 71.00 C ATOM 727 CD1 TYR A 65 28.949 -8.012 9.578 1.00 62.22 C ATOM 728 CD2 TYR A 65 28.902 -8.749 11.844 1.00 52.11 C ATOM 729 CE1 TYR A 65 27.570 -7.915 9.576 1.00 44.11 C ATOM 730 CE2 TYR A 65 27.524 -8.656 11.851 1.00 21.42 C ATOM 731 CZ TYR A 65 26.863 -8.238 10.715 1.00 74.42 C ATOM 732 OH TYR A 65 25.490 -8.144 10.718 1.00 53.21 O ATOM 0 H TYR A 65 31.069 -10.984 10.450 1.00 33.11 H new ATOM 0 HA TYR A 65 31.146 -8.927 8.595 1.00 65.33 H new ATOM 0 HB2 TYR A 65 31.467 -9.071 11.600 1.00 53.51 H new ATOM 0 HB3 TYR A 65 31.573 -7.533 10.767 1.00 53.51 H new ATOM 0 HD1 TYR A 65 29.500 -7.759 8.685 1.00 62.22 H new ATOM 0 HD2 TYR A 65 29.416 -9.075 12.736 1.00 52.11 H new ATOM 0 HE1 TYR A 65 27.050 -7.588 8.688 1.00 44.11 H new ATOM 0 HE2 TYR A 65 26.967 -8.909 12.741 1.00 21.42 H new ATOM 0 HH TYR A 65 25.189 -7.778 11.576 1.00 53.21 H new ATOM 742 N LYS A 66 34.072 -9.709 9.752 1.00 23.32 N ATOM 743 CA LYS A 66 35.504 -9.462 9.626 1.00 14.24 C ATOM 744 C LYS A 66 35.901 -9.299 8.164 1.00 72.13 C ATOM 745 O LYS A 66 36.850 -8.582 7.843 1.00 62.12 O ATOM 746 CB LYS A 66 36.298 -10.607 10.258 1.00 73.41 C ATOM 747 CG LYS A 66 37.487 -10.143 11.080 1.00 50.03 C ATOM 748 CD LYS A 66 38.312 -11.317 11.580 1.00 32.14 C ATOM 749 CE LYS A 66 39.657 -10.860 12.125 1.00 34.45 C ATOM 750 NZ LYS A 66 40.752 -11.800 11.757 1.00 61.33 N ATOM 0 H LYS A 66 33.835 -10.578 10.230 1.00 23.32 H new ATOM 0 HA LYS A 66 35.735 -8.536 10.152 1.00 14.24 H new ATOM 0 HB2 LYS A 66 35.633 -11.191 10.894 1.00 73.41 H new ATOM 0 HB3 LYS A 66 36.650 -11.272 9.469 1.00 73.41 H new ATOM 0 HG2 LYS A 66 38.114 -9.487 10.476 1.00 50.03 H new ATOM 0 HG3 LYS A 66 37.137 -9.556 11.929 1.00 50.03 H new ATOM 0 HD2 LYS A 66 37.762 -11.844 12.360 1.00 32.14 H new ATOM 0 HD3 LYS A 66 38.469 -12.025 10.767 1.00 32.14 H new ATOM 0 HE2 LYS A 66 39.886 -9.866 11.740 1.00 34.45 H new ATOM 0 HE3 LYS A 66 39.600 -10.776 13.210 1.00 34.45 H new ATOM 0 HZ1 LYS A 66 41.652 -11.454 12.147 1.00 61.33 H new ATOM 0 HZ2 LYS A 66 40.546 -12.742 12.146 1.00 61.33 H new ATOM 0 HZ3 LYS A 66 40.824 -11.861 10.721 1.00 61.33 H new ATOM 764 N LEU A 67 35.170 -9.968 7.278 1.00 2.42 N ATOM 765 CA LEU A 67 35.446 -9.896 5.848 1.00 11.01 C ATOM 766 C LEU A 67 35.100 -8.517 5.295 1.00 22.12 C ATOM 767 O LEU A 67 34.403 -7.725 5.928 1.00 10.53 O ATOM 768 CB LEU A 67 34.654 -10.971 5.102 1.00 51.15 C ATOM 769 CG LEU A 67 35.415 -12.253 4.764 1.00 51.01 C ATOM 770 CD1 LEU A 67 36.052 -12.840 6.014 1.00 61.41 C ATOM 771 CD2 LEU A 67 34.487 -13.267 4.109 1.00 2.44 C ATOM 0 H LEU A 67 34.382 -10.566 7.526 1.00 2.42 H new ATOM 0 HA LEU A 67 36.512 -10.069 5.699 1.00 11.01 H new ATOM 0 HB2 LEU A 67 33.785 -11.236 5.704 1.00 51.15 H new ATOM 0 HB3 LEU A 67 34.279 -10.539 4.174 1.00 51.15 H new ATOM 0 HG LEU A 67 36.208 -12.007 4.058 1.00 51.01 H new ATOM 0 HD11 LEU A 67 36.589 -13.752 5.754 1.00 61.41 H new ATOM 0 HD12 LEU A 67 36.748 -12.118 6.441 1.00 61.41 H new ATOM 0 HD13 LEU A 67 35.276 -13.071 6.744 1.00 61.41 H new ATOM 0 HD21 LEU A 67 35.045 -14.173 3.875 1.00 2.44 H new ATOM 0 HD22 LEU A 67 33.672 -13.509 4.792 1.00 2.44 H new ATOM 0 HD23 LEU A 67 34.078 -12.846 3.191 1.00 2.44 H new ATOM 783 N PRO A 68 35.598 -8.223 4.084 1.00 33.42 N ATOM 784 CA PRO A 68 35.352 -6.940 3.418 1.00 23.45 C ATOM 785 C PRO A 68 33.903 -6.788 2.968 1.00 30.43 C ATOM 786 O PRO A 68 33.120 -7.737 3.031 1.00 54.11 O ATOM 787 CB PRO A 68 36.286 -6.986 2.206 1.00 63.11 C ATOM 788 CG PRO A 68 36.482 -8.437 1.933 1.00 24.13 C ATOM 789 CD PRO A 68 36.436 -9.121 3.272 1.00 10.44 C ATOM 0 HA PRO A 68 35.533 -6.095 4.082 1.00 23.45 H new ATOM 0 HB2 PRO A 68 35.846 -6.478 1.348 1.00 63.11 H new ATOM 0 HB3 PRO A 68 37.234 -6.492 2.418 1.00 63.11 H new ATOM 0 HG2 PRO A 68 35.703 -8.819 1.273 1.00 24.13 H new ATOM 0 HG3 PRO A 68 37.436 -8.615 1.436 1.00 24.13 H new ATOM 0 HD2 PRO A 68 36.003 -10.119 3.199 1.00 10.44 H new ATOM 0 HD3 PRO A 68 37.432 -9.237 3.699 1.00 10.44 H new ATOM 797 N LYS A 69 33.552 -5.591 2.514 1.00 40.03 N ATOM 798 CA LYS A 69 32.197 -5.314 2.052 1.00 44.42 C ATOM 799 C LYS A 69 31.883 -6.101 0.783 1.00 3.23 C ATOM 800 O LYS A 69 30.831 -6.729 0.676 1.00 34.41 O ATOM 801 CB LYS A 69 32.021 -3.816 1.792 1.00 55.24 C ATOM 802 CG LYS A 69 31.294 -3.086 2.908 1.00 31.42 C ATOM 803 CD LYS A 69 32.021 -3.233 4.235 1.00 51.12 C ATOM 804 CE LYS A 69 32.321 -1.879 4.859 1.00 53.21 C ATOM 805 NZ LYS A 69 33.173 -2.004 6.073 1.00 24.35 N ATOM 0 H LYS A 69 34.188 -4.795 2.456 1.00 40.03 H new ATOM 0 HA LYS A 69 31.503 -5.625 2.833 1.00 44.42 H new ATOM 0 HB2 LYS A 69 33.002 -3.362 1.652 1.00 55.24 H new ATOM 0 HB3 LYS A 69 31.471 -3.680 0.861 1.00 55.24 H new ATOM 0 HG2 LYS A 69 31.205 -2.029 2.656 1.00 31.42 H new ATOM 0 HG3 LYS A 69 30.281 -3.478 3.001 1.00 31.42 H new ATOM 0 HD2 LYS A 69 31.414 -3.824 4.920 1.00 51.12 H new ATOM 0 HD3 LYS A 69 32.952 -3.779 4.082 1.00 51.12 H new ATOM 0 HE2 LYS A 69 32.822 -1.245 4.127 1.00 53.21 H new ATOM 0 HE3 LYS A 69 31.386 -1.385 5.121 1.00 53.21 H new ATOM 0 HZ1 LYS A 69 33.355 -1.059 6.468 1.00 24.35 H new ATOM 0 HZ2 LYS A 69 32.684 -2.588 6.781 1.00 24.35 H new ATOM 0 HZ3 LYS A 69 34.076 -2.452 5.819 1.00 24.35 H new ATOM 819 N TRP A 70 32.805 -6.063 -0.173 1.00 54.42 N ATOM 820 CA TRP A 70 32.626 -6.775 -1.434 1.00 41.21 C ATOM 821 C TRP A 70 32.398 -8.263 -1.192 1.00 45.20 C ATOM 822 O TRP A 70 31.533 -8.878 -1.815 1.00 21.23 O ATOM 823 CB TRP A 70 33.845 -6.572 -2.334 1.00 61.02 C ATOM 824 CG TRP A 70 35.018 -7.422 -1.946 1.00 53.41 C ATOM 825 CD1 TRP A 70 36.012 -7.096 -1.069 1.00 12.13 C ATOM 826 CD2 TRP A 70 35.319 -8.738 -2.425 1.00 53.24 C ATOM 827 NE1 TRP A 70 36.912 -8.129 -0.973 1.00 34.14 N ATOM 828 CE2 TRP A 70 36.508 -9.149 -1.795 1.00 4.33 C ATOM 829 CE3 TRP A 70 34.697 -9.609 -3.324 1.00 74.01 C ATOM 830 CZ2 TRP A 70 37.088 -10.392 -2.036 1.00 3.41 C ATOM 831 CZ3 TRP A 70 35.273 -10.842 -3.563 1.00 60.02 C ATOM 832 CH2 TRP A 70 36.459 -11.224 -2.921 1.00 14.24 C ATOM 0 H TRP A 70 33.682 -5.548 -0.099 1.00 54.42 H new ATOM 0 HA TRP A 70 31.745 -6.369 -1.931 1.00 41.21 H new ATOM 0 HB2 TRP A 70 33.568 -6.796 -3.364 1.00 61.02 H new ATOM 0 HB3 TRP A 70 34.140 -5.523 -2.304 1.00 61.02 H new ATOM 0 HD1 TRP A 70 36.081 -6.163 -0.530 1.00 12.13 H new ATOM 0 HE1 TRP A 70 37.746 -8.136 -0.385 1.00 34.14 H new ATOM 0 HE3 TRP A 70 33.783 -9.323 -3.823 1.00 74.01 H new ATOM 0 HZ2 TRP A 70 38.001 -10.688 -1.542 1.00 3.41 H new ATOM 0 HZ3 TRP A 70 34.801 -11.523 -4.256 1.00 60.02 H new ATOM 0 HH2 TRP A 70 36.885 -12.194 -3.129 1.00 14.24 H new ATOM 843 N LYS A 71 33.180 -8.835 -0.283 1.00 31.54 N ATOM 844 CA LYS A 71 33.063 -10.252 0.043 1.00 60.21 C ATOM 845 C LYS A 71 31.857 -10.506 0.941 1.00 34.04 C ATOM 846 O LYS A 71 31.235 -11.566 0.875 1.00 13.33 O ATOM 847 CB LYS A 71 34.338 -10.745 0.732 1.00 54.32 C ATOM 848 CG LYS A 71 34.421 -12.257 0.847 1.00 65.33 C ATOM 849 CD LYS A 71 35.848 -12.720 1.086 1.00 64.25 C ATOM 850 CE LYS A 71 35.999 -14.213 0.839 1.00 42.11 C ATOM 851 NZ LYS A 71 37.333 -14.550 0.268 1.00 34.21 N ATOM 0 H LYS A 71 33.901 -8.340 0.241 1.00 31.54 H new ATOM 0 HA LYS A 71 32.924 -10.803 -0.887 1.00 60.21 H new ATOM 0 HB2 LYS A 71 35.204 -10.383 0.178 1.00 54.32 H new ATOM 0 HB3 LYS A 71 34.394 -10.309 1.730 1.00 54.32 H new ATOM 0 HG2 LYS A 71 33.786 -12.596 1.665 1.00 65.33 H new ATOM 0 HG3 LYS A 71 34.037 -12.714 -0.065 1.00 65.33 H new ATOM 0 HD2 LYS A 71 36.524 -12.172 0.430 1.00 64.25 H new ATOM 0 HD3 LYS A 71 36.140 -12.488 2.110 1.00 64.25 H new ATOM 0 HE2 LYS A 71 35.859 -14.752 1.776 1.00 42.11 H new ATOM 0 HE3 LYS A 71 35.217 -14.549 0.158 1.00 42.11 H new ATOM 0 HZ1 LYS A 71 37.396 -15.577 0.114 1.00 34.21 H new ATOM 0 HZ2 LYS A 71 37.457 -14.056 -0.639 1.00 34.21 H new ATOM 0 HZ3 LYS A 71 38.079 -14.253 0.929 1.00 34.21 H new ATOM 865 N GLN A 72 31.531 -9.526 1.778 1.00 4.43 N ATOM 866 CA GLN A 72 30.399 -9.644 2.689 1.00 74.53 C ATOM 867 C GLN A 72 29.085 -9.719 1.917 1.00 34.23 C ATOM 868 O GLN A 72 28.182 -10.471 2.281 1.00 23.02 O ATOM 869 CB GLN A 72 30.368 -8.459 3.656 1.00 72.42 C ATOM 870 CG GLN A 72 29.207 -8.503 4.636 1.00 71.23 C ATOM 871 CD GLN A 72 28.553 -7.149 4.826 1.00 34.12 C ATOM 872 OE1 GLN A 72 28.186 -6.482 3.858 1.00 52.24 O ATOM 873 NE2 GLN A 72 28.402 -6.734 6.079 1.00 54.22 N ATOM 0 H GLN A 72 32.035 -8.642 1.844 1.00 4.43 H new ATOM 0 HA GLN A 72 30.519 -10.565 3.259 1.00 74.53 H new ATOM 0 HB2 GLN A 72 31.303 -8.432 4.215 1.00 72.42 H new ATOM 0 HB3 GLN A 72 30.313 -7.534 3.082 1.00 72.42 H new ATOM 0 HG2 GLN A 72 28.463 -9.215 4.280 1.00 71.23 H new ATOM 0 HG3 GLN A 72 29.563 -8.869 5.599 1.00 71.23 H new ATOM 0 HE21 GLN A 72 28.721 -7.319 6.852 1.00 54.22 H new ATOM 0 HE22 GLN A 72 27.968 -5.831 6.268 1.00 54.22 H new ATOM 882 N ASN A 73 28.986 -8.934 0.849 1.00 71.43 N ATOM 883 CA ASN A 73 27.783 -8.912 0.026 1.00 31.03 C ATOM 884 C ASN A 73 27.705 -10.153 -0.858 1.00 41.20 C ATOM 885 O ASN A 73 26.618 -10.596 -1.231 1.00 42.10 O ATOM 886 CB ASN A 73 27.756 -7.651 -0.841 1.00 42.03 C ATOM 887 CG ASN A 73 26.652 -6.693 -0.435 1.00 64.43 C ATOM 888 OD1 ASN A 73 25.936 -6.161 -1.283 1.00 74.31 O ATOM 889 ND2 ASN A 73 26.510 -6.471 0.866 1.00 20.32 N ATOM 0 H ASN A 73 29.724 -8.305 0.534 1.00 71.43 H new ATOM 0 HA ASN A 73 26.919 -8.907 0.690 1.00 31.03 H new ATOM 0 HB2 ASN A 73 28.718 -7.144 -0.769 1.00 42.03 H new ATOM 0 HB3 ASN A 73 27.622 -7.934 -1.885 1.00 42.03 H new ATOM 0 HD21 ASN A 73 25.784 -5.837 1.199 1.00 20.32 H new ATOM 0 HD22 ASN A 73 27.127 -6.935 1.533 1.00 20.32 H new ATOM 896 N LYS A 74 28.864 -10.710 -1.190 1.00 43.33 N ATOM 897 CA LYS A 74 28.930 -11.901 -2.029 1.00 1.15 C ATOM 898 C LYS A 74 28.413 -13.124 -1.278 1.00 44.12 C ATOM 899 O LYS A 74 27.528 -13.832 -1.759 1.00 71.13 O ATOM 900 CB LYS A 74 30.367 -12.143 -2.493 1.00 70.34 C ATOM 901 CG LYS A 74 30.858 -11.126 -3.509 1.00 21.24 C ATOM 902 CD LYS A 74 30.520 -11.547 -4.929 1.00 74.31 C ATOM 903 CE LYS A 74 30.751 -10.414 -5.916 1.00 43.32 C ATOM 904 NZ LYS A 74 29.846 -10.512 -7.096 1.00 1.43 N ATOM 0 H LYS A 74 29.772 -10.355 -0.890 1.00 43.33 H new ATOM 0 HA LYS A 74 28.296 -11.738 -2.901 1.00 1.15 H new ATOM 0 HB2 LYS A 74 31.027 -12.126 -1.626 1.00 70.34 H new ATOM 0 HB3 LYS A 74 30.437 -13.140 -2.927 1.00 70.34 H new ATOM 0 HG2 LYS A 74 30.408 -10.155 -3.300 1.00 21.24 H new ATOM 0 HG3 LYS A 74 31.937 -11.005 -3.412 1.00 21.24 H new ATOM 0 HD2 LYS A 74 31.130 -12.406 -5.210 1.00 74.31 H new ATOM 0 HD3 LYS A 74 29.479 -11.866 -4.977 1.00 74.31 H new ATOM 0 HE2 LYS A 74 30.593 -9.459 -5.416 1.00 43.32 H new ATOM 0 HE3 LYS A 74 31.788 -10.430 -6.251 1.00 43.32 H new ATOM 0 HZ1 LYS A 74 30.035 -9.722 -7.745 1.00 1.43 H new ATOM 0 HZ2 LYS A 74 30.014 -11.412 -7.589 1.00 1.43 H new ATOM 0 HZ3 LYS A 74 28.856 -10.471 -6.779 1.00 1.43 H new ATOM 918 N PHE A 75 28.970 -13.365 -0.096 1.00 22.10 N ATOM 919 CA PHE A 75 28.565 -14.503 0.721 1.00 32.14 C ATOM 920 C PHE A 75 27.081 -14.424 1.066 1.00 51.11 C ATOM 921 O PHE A 75 26.381 -15.437 1.086 1.00 40.31 O ATOM 922 CB PHE A 75 29.396 -14.557 2.006 1.00 63.33 C ATOM 923 CG PHE A 75 30.240 -15.794 2.121 1.00 31.20 C ATOM 924 CD1 PHE A 75 29.697 -17.045 1.873 1.00 73.21 C ATOM 925 CD2 PHE A 75 31.576 -15.707 2.479 1.00 13.44 C ATOM 926 CE1 PHE A 75 30.471 -18.185 1.979 1.00 55.04 C ATOM 927 CE2 PHE A 75 32.354 -16.844 2.587 1.00 74.14 C ATOM 928 CZ PHE A 75 31.800 -18.085 2.337 1.00 45.14 C ATOM 0 H PHE A 75 29.703 -12.788 0.317 1.00 22.10 H new ATOM 0 HA PHE A 75 28.739 -15.412 0.145 1.00 32.14 H new ATOM 0 HB2 PHE A 75 30.042 -13.680 2.049 1.00 63.33 H new ATOM 0 HB3 PHE A 75 28.727 -14.502 2.865 1.00 63.33 H new ATOM 0 HD1 PHE A 75 28.657 -17.130 1.594 1.00 73.21 H new ATOM 0 HD2 PHE A 75 32.014 -14.740 2.676 1.00 13.44 H new ATOM 0 HE1 PHE A 75 30.036 -19.154 1.782 1.00 55.04 H new ATOM 0 HE2 PHE A 75 33.394 -16.763 2.867 1.00 74.14 H new ATOM 0 HZ PHE A 75 32.406 -18.975 2.422 1.00 45.14 H new ATOM 938 N LYS A 76 26.607 -13.213 1.339 1.00 54.33 N ATOM 939 CA LYS A 76 25.206 -12.999 1.682 1.00 10.33 C ATOM 940 C LYS A 76 24.288 -13.740 0.715 1.00 44.12 C ATOM 941 O LYS A 76 23.529 -14.621 1.116 1.00 10.25 O ATOM 942 CB LYS A 76 24.878 -11.503 1.668 1.00 61.44 C ATOM 943 CG LYS A 76 24.981 -10.845 3.032 1.00 24.14 C ATOM 944 CD LYS A 76 25.021 -9.330 2.919 1.00 63.52 C ATOM 945 CE LYS A 76 25.927 -8.716 3.974 1.00 3.23 C ATOM 946 NZ LYS A 76 25.269 -7.580 4.678 1.00 24.11 N ATOM 0 H LYS A 76 27.173 -12.364 1.329 1.00 54.33 H new ATOM 0 HA LYS A 76 25.041 -13.392 2.685 1.00 10.33 H new ATOM 0 HB2 LYS A 76 25.554 -10.998 0.978 1.00 61.44 H new ATOM 0 HB3 LYS A 76 23.868 -11.365 1.283 1.00 61.44 H new ATOM 0 HG2 LYS A 76 24.131 -11.143 3.646 1.00 24.14 H new ATOM 0 HG3 LYS A 76 25.879 -11.197 3.540 1.00 24.14 H new ATOM 0 HD2 LYS A 76 25.373 -9.047 1.927 1.00 63.52 H new ATOM 0 HD3 LYS A 76 24.013 -8.929 3.026 1.00 63.52 H new ATOM 0 HE2 LYS A 76 26.208 -9.479 4.700 1.00 3.23 H new ATOM 0 HE3 LYS A 76 26.847 -8.368 3.505 1.00 3.23 H new ATOM 0 HZ1 LYS A 76 25.913 -6.763 4.696 1.00 24.11 H new ATOM 0 HZ2 LYS A 76 24.395 -7.321 4.178 1.00 24.11 H new ATOM 0 HZ3 LYS A 76 25.039 -7.862 5.652 1.00 24.11 H new ATOM 960 N MET A 77 24.366 -13.378 -0.562 1.00 44.14 N ATOM 961 CA MET A 77 23.544 -14.012 -1.587 1.00 65.20 C ATOM 962 C MET A 77 23.962 -15.463 -1.799 1.00 24.22 C ATOM 963 O MET A 77 23.155 -16.298 -2.206 1.00 63.41 O ATOM 964 CB MET A 77 23.650 -13.241 -2.904 1.00 71.22 C ATOM 965 CG MET A 77 25.075 -13.105 -3.416 1.00 71.22 C ATOM 966 SD MET A 77 25.202 -11.993 -4.830 1.00 62.43 S ATOM 967 CE MET A 77 26.542 -12.757 -5.741 1.00 62.32 C ATOM 0 H MET A 77 24.989 -12.650 -0.911 1.00 44.14 H new ATOM 0 HA MET A 77 22.508 -13.997 -1.247 1.00 65.20 H new ATOM 0 HB2 MET A 77 23.048 -13.745 -3.660 1.00 71.22 H new ATOM 0 HB3 MET A 77 23.225 -12.246 -2.769 1.00 71.22 H new ATOM 0 HG2 MET A 77 25.712 -12.738 -2.612 1.00 71.22 H new ATOM 0 HG3 MET A 77 25.451 -14.089 -3.697 1.00 71.22 H new ATOM 0 HE1 MET A 77 26.847 -12.102 -6.557 1.00 62.32 H new ATOM 0 HE2 MET A 77 27.387 -12.923 -5.073 1.00 62.32 H new ATOM 0 HE3 MET A 77 26.208 -13.711 -6.148 1.00 62.32 H new ATOM 977 N ALA A 78 25.228 -15.757 -1.519 1.00 0.44 N ATOM 978 CA ALA A 78 25.752 -17.108 -1.677 1.00 40.51 C ATOM 979 C ALA A 78 24.901 -18.119 -0.917 1.00 20.20 C ATOM 980 O ALA A 78 24.622 -19.210 -1.415 1.00 65.13 O ATOM 981 CB ALA A 78 27.198 -17.172 -1.205 1.00 54.13 C ATOM 0 H ALA A 78 25.910 -15.077 -1.182 1.00 0.44 H new ATOM 0 HA ALA A 78 25.715 -17.364 -2.736 1.00 40.51 H new ATOM 0 HB1 ALA A 78 27.577 -18.187 -1.329 1.00 54.13 H new ATOM 0 HB2 ALA A 78 27.804 -16.484 -1.795 1.00 54.13 H new ATOM 0 HB3 ALA A 78 27.250 -16.891 -0.153 1.00 54.13 H new ATOM 987 N VAL A 79 24.489 -17.751 0.292 1.00 3.54 N ATOM 988 CA VAL A 79 23.669 -18.626 1.120 1.00 21.14 C ATOM 989 C VAL A 79 22.190 -18.285 0.982 1.00 31.15 C ATOM 990 O VAL A 79 21.366 -18.717 1.788 1.00 10.02 O ATOM 991 CB VAL A 79 24.071 -18.532 2.604 1.00 21.52 C ATOM 992 CG1 VAL A 79 25.577 -18.363 2.741 1.00 75.12 C ATOM 993 CG2 VAL A 79 23.333 -17.388 3.285 1.00 60.44 C ATOM 0 H VAL A 79 24.710 -16.852 0.720 1.00 3.54 H new ATOM 0 HA VAL A 79 23.838 -19.644 0.770 1.00 21.14 H new ATOM 0 HB VAL A 79 23.788 -19.462 3.098 1.00 21.52 H new ATOM 0 HG11 VAL A 79 25.841 -18.298 3.796 1.00 75.12 H new ATOM 0 HG12 VAL A 79 26.081 -19.219 2.292 1.00 75.12 H new ATOM 0 HG13 VAL A 79 25.888 -17.451 2.233 1.00 75.12 H new ATOM 0 HG21 VAL A 79 23.629 -17.336 4.333 1.00 60.44 H new ATOM 0 HG22 VAL A 79 23.582 -16.449 2.791 1.00 60.44 H new ATOM 0 HG23 VAL A 79 22.258 -17.558 3.220 1.00 60.44 H new ATOM 1003 N GLN A 80 21.860 -17.507 -0.043 1.00 2.22 N ATOM 1004 CA GLN A 80 20.479 -17.107 -0.285 1.00 51.34 C ATOM 1005 C GLN A 80 19.994 -16.142 0.792 1.00 43.03 C ATOM 1006 O GLN A 80 18.808 -16.109 1.120 1.00 12.44 O ATOM 1007 CB GLN A 80 19.571 -18.337 -0.332 1.00 4.24 C ATOM 1008 CG GLN A 80 20.149 -19.490 -1.137 1.00 13.42 C ATOM 1009 CD GLN A 80 19.293 -20.740 -1.063 1.00 15.32 C ATOM 1010 OE1 GLN A 80 18.203 -20.794 -1.633 1.00 34.11 O ATOM 1011 NE2 GLN A 80 19.783 -21.753 -0.359 1.00 4.04 N ATOM 0 H GLN A 80 22.530 -17.141 -0.719 1.00 2.22 H new ATOM 0 HA GLN A 80 20.438 -16.597 -1.247 1.00 51.34 H new ATOM 0 HB2 GLN A 80 19.379 -18.676 0.686 1.00 4.24 H new ATOM 0 HB3 GLN A 80 18.610 -18.052 -0.760 1.00 4.24 H new ATOM 0 HG2 GLN A 80 20.252 -19.186 -2.179 1.00 13.42 H new ATOM 0 HG3 GLN A 80 21.150 -19.718 -0.771 1.00 13.42 H new ATOM 0 HE21 GLN A 80 20.691 -21.665 0.097 1.00 4.04 H new ATOM 0 HE22 GLN A 80 19.252 -22.619 -0.274 1.00 4.04 H new ATOM 1020 N LEU A 81 20.919 -15.359 1.337 1.00 72.41 N ATOM 1021 CA LEU A 81 20.585 -14.393 2.377 1.00 24.41 C ATOM 1022 C LEU A 81 21.031 -12.990 1.980 1.00 41.22 C ATOM 1023 O LEU A 81 22.183 -12.610 2.190 1.00 41.32 O ATOM 1024 CB LEU A 81 21.241 -14.793 3.701 1.00 43.43 C ATOM 1025 CG LEU A 81 20.528 -15.883 4.501 1.00 34.13 C ATOM 1026 CD1 LEU A 81 21.201 -16.082 5.850 1.00 71.32 C ATOM 1027 CD2 LEU A 81 19.057 -15.534 4.683 1.00 64.50 C ATOM 0 H LEU A 81 21.905 -15.374 1.076 1.00 72.41 H new ATOM 0 HA LEU A 81 19.502 -14.389 2.501 1.00 24.41 H new ATOM 0 HB2 LEU A 81 22.257 -15.129 3.493 1.00 43.43 H new ATOM 0 HB3 LEU A 81 21.321 -13.904 4.327 1.00 43.43 H new ATOM 0 HG LEU A 81 20.594 -16.818 3.944 1.00 34.13 H new ATOM 0 HD11 LEU A 81 20.680 -16.862 6.405 1.00 71.32 H new ATOM 0 HD12 LEU A 81 22.239 -16.377 5.699 1.00 71.32 H new ATOM 0 HD13 LEU A 81 21.167 -15.150 6.414 1.00 71.32 H new ATOM 0 HD21 LEU A 81 18.564 -16.321 5.255 1.00 64.50 H new ATOM 0 HD22 LEU A 81 18.971 -14.588 5.218 1.00 64.50 H new ATOM 0 HD23 LEU A 81 18.581 -15.443 3.707 1.00 64.50 H new ATOM 1039 N PHE A 82 20.110 -12.222 1.407 1.00 31.20 N ATOM 1040 CA PHE A 82 20.407 -10.859 0.981 1.00 33.12 C ATOM 1041 C PHE A 82 19.163 -9.980 1.066 1.00 52.24 C ATOM 1042 O PHE A 82 19.262 -8.760 1.192 1.00 14.13 O ATOM 1043 CB PHE A 82 20.951 -10.856 -0.450 1.00 31.14 C ATOM 1044 CG PHE A 82 21.541 -9.539 -0.863 1.00 20.12 C ATOM 1045 CD1 PHE A 82 20.785 -8.618 -1.571 1.00 4.55 C ATOM 1046 CD2 PHE A 82 22.852 -9.222 -0.546 1.00 22.01 C ATOM 1047 CE1 PHE A 82 21.325 -7.404 -1.953 1.00 41.01 C ATOM 1048 CE2 PHE A 82 23.398 -8.009 -0.925 1.00 72.52 C ATOM 1049 CZ PHE A 82 22.633 -7.100 -1.630 1.00 64.22 C ATOM 0 H PHE A 82 19.151 -12.520 1.227 1.00 31.20 H new ATOM 0 HA PHE A 82 21.165 -10.452 1.651 1.00 33.12 H new ATOM 0 HB2 PHE A 82 21.712 -11.631 -0.543 1.00 31.14 H new ATOM 0 HB3 PHE A 82 20.146 -11.116 -1.137 1.00 31.14 H new ATOM 0 HD1 PHE A 82 19.762 -8.851 -1.827 1.00 4.55 H new ATOM 0 HD2 PHE A 82 23.455 -9.930 0.003 1.00 22.01 H new ATOM 0 HE1 PHE A 82 20.725 -6.694 -2.503 1.00 41.01 H new ATOM 0 HE2 PHE A 82 24.421 -7.773 -0.670 1.00 72.52 H new ATOM 0 HZ PHE A 82 23.057 -6.153 -1.928 1.00 64.22 H new TER 1059 PHE A 82