USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -123:sc= 0.0794 (180deg=-0.564) USER MOD Single : A 38 MET CE :methyl 171:sc= -0.714 (180deg=-0.987) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -88:sc= 0.766 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.0239 (180deg=-0.202) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc=-0.00317 (180deg=-0.0695) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -160:sc= -1.79! (180deg=-2.52!) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ -122:sc= 0.0885 (180deg=-0.708) USER MOD Single : B 38 MET CE :methyl 175:sc= -0.563 (180deg=-0.646) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -83:sc= 0.416 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 163:sc= -0.0119 (180deg=-0.201) USER MOD Single : B 53 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0161) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -14.957 19.237 -1.015 1.00 32.41 N ATOM 19 CA LYS A 2 -14.754 20.664 -0.798 1.00 70.24 C ATOM 20 C LYS A 2 -14.452 21.377 -2.113 1.00 30.11 C ATOM 21 O LYS A 2 -15.302 22.081 -2.659 1.00 34.21 O ATOM 22 CB LYS A 2 -13.610 20.892 0.192 1.00 73.51 C ATOM 23 CG LYS A 2 -13.185 22.346 0.306 1.00 43.02 C ATOM 24 CD LYS A 2 -14.322 23.221 0.807 1.00 22.12 C ATOM 25 CE LYS A 2 -14.674 24.307 -0.199 1.00 22.31 C ATOM 26 NZ LYS A 2 -13.679 25.415 -0.190 1.00 61.51 N ATOM 0 HA LYS A 2 -15.673 21.078 -0.384 1.00 70.24 H new ATOM 0 HB2 LYS A 2 -13.914 20.533 1.175 1.00 73.51 H new ATOM 0 HB3 LYS A 2 -12.751 20.294 -0.114 1.00 73.51 H new ATOM 0 HG2 LYS A 2 -12.336 22.426 0.985 1.00 43.02 H new ATOM 0 HG3 LYS A 2 -12.849 22.705 -0.667 1.00 43.02 H new ATOM 0 HD2 LYS A 2 -15.200 22.604 1.000 1.00 22.12 H new ATOM 0 HD3 LYS A 2 -14.040 23.679 1.755 1.00 22.12 H new ATOM 0 HE2 LYS A 2 -14.726 23.874 -1.198 1.00 22.31 H new ATOM 0 HE3 LYS A 2 -15.663 24.705 0.028 1.00 22.31 H new ATOM 0 HZ1 LYS A 2 -13.954 26.134 -0.889 1.00 61.51 H new ATOM 0 HZ2 LYS A 2 -13.647 25.845 0.756 1.00 61.51 H new ATOM 0 HZ3 LYS A 2 -12.739 25.040 -0.431 1.00 61.51 H new ATOM 40 N LYS A 3 -13.238 21.189 -2.617 1.00 24.42 N ATOM 41 CA LYS A 3 -12.823 21.811 -3.869 1.00 73.12 C ATOM 42 C LYS A 3 -11.890 20.892 -4.651 1.00 11.12 C ATOM 43 O LYS A 3 -12.290 20.286 -5.645 1.00 65.52 O ATOM 44 CB LYS A 3 -12.128 23.145 -3.594 1.00 51.44 C ATOM 45 CG LYS A 3 -13.038 24.351 -3.762 1.00 42.21 C ATOM 46 CD LYS A 3 -12.301 25.521 -4.392 1.00 75.33 C ATOM 47 CE LYS A 3 -11.445 26.255 -3.372 1.00 43.44 C ATOM 48 NZ LYS A 3 -9.992 26.128 -3.672 1.00 62.32 N ATOM 0 H LYS A 3 -12.523 20.610 -2.177 1.00 24.42 H new ATOM 0 HA LYS A 3 -13.715 21.990 -4.469 1.00 73.12 H new ATOM 0 HB2 LYS A 3 -11.733 23.137 -2.578 1.00 51.44 H new ATOM 0 HB3 LYS A 3 -11.276 23.247 -4.266 1.00 51.44 H new ATOM 0 HG2 LYS A 3 -13.892 24.080 -4.383 1.00 42.21 H new ATOM 0 HG3 LYS A 3 -13.432 24.649 -2.790 1.00 42.21 H new ATOM 0 HD2 LYS A 3 -11.671 25.160 -5.205 1.00 75.33 H new ATOM 0 HD3 LYS A 3 -13.021 26.213 -4.830 1.00 75.33 H new ATOM 0 HE2 LYS A 3 -11.722 27.309 -3.357 1.00 43.44 H new ATOM 0 HE3 LYS A 3 -11.646 25.859 -2.377 1.00 43.44 H new ATOM 0 HZ1 LYS A 3 -9.443 26.642 -2.954 1.00 62.32 H new ATOM 0 HZ2 LYS A 3 -9.722 25.124 -3.661 1.00 62.32 H new ATOM 0 HZ3 LYS A 3 -9.795 26.529 -4.611 1.00 62.32 H new ATOM 62 N LEU A 4 -10.647 20.792 -4.195 1.00 52.11 N ATOM 63 CA LEU A 4 -9.656 19.945 -4.851 1.00 74.12 C ATOM 64 C LEU A 4 -8.779 19.237 -3.823 1.00 2.10 C ATOM 65 O LEU A 4 -7.827 18.542 -4.179 1.00 54.01 O ATOM 66 CB LEU A 4 -8.787 20.778 -5.793 1.00 51.42 C ATOM 67 CG LEU A 4 -7.707 21.633 -5.128 1.00 53.24 C ATOM 68 CD1 LEU A 4 -8.248 22.293 -3.870 1.00 14.41 C ATOM 69 CD2 LEU A 4 -6.482 20.791 -4.807 1.00 35.12 C ATOM 0 H LEU A 4 -10.300 21.287 -3.373 1.00 52.11 H new ATOM 0 HA LEU A 4 -10.187 19.189 -5.430 1.00 74.12 H new ATOM 0 HB2 LEU A 4 -8.304 20.104 -6.501 1.00 51.42 H new ATOM 0 HB3 LEU A 4 -9.438 21.434 -6.371 1.00 51.42 H new ATOM 0 HG LEU A 4 -7.411 22.417 -5.825 1.00 53.24 H new ATOM 0 HD11 LEU A 4 -7.465 22.897 -3.411 1.00 14.41 H new ATOM 0 HD12 LEU A 4 -9.094 22.930 -4.128 1.00 14.41 H new ATOM 0 HD13 LEU A 4 -8.573 21.526 -3.168 1.00 14.41 H new ATOM 0 HD21 LEU A 4 -5.724 21.416 -4.334 1.00 35.12 H new ATOM 0 HD22 LEU A 4 -6.762 19.985 -4.129 1.00 35.12 H new ATOM 0 HD23 LEU A 4 -6.080 20.367 -5.727 1.00 35.12 H new ATOM 81 N ARG A 5 -9.108 19.417 -2.548 1.00 34.33 N ATOM 82 CA ARG A 5 -8.350 18.794 -1.468 1.00 63.51 C ATOM 83 C ARG A 5 -8.611 17.291 -1.418 1.00 62.41 C ATOM 84 O ARG A 5 -7.743 16.515 -1.021 1.00 61.42 O ATOM 85 CB ARG A 5 -8.716 19.431 -0.127 1.00 12.34 C ATOM 86 CG ARG A 5 -8.522 20.938 -0.096 1.00 2.32 C ATOM 87 CD ARG A 5 -9.645 21.629 0.662 1.00 31.35 C ATOM 88 NE ARG A 5 -9.974 22.931 0.088 1.00 25.32 N ATOM 89 CZ ARG A 5 -9.274 24.035 0.322 1.00 51.05 C ATOM 90 NH1 ARG A 5 -8.213 23.996 1.116 1.00 33.14 N ATOM 91 NH2 ARG A 5 -9.636 25.183 -0.238 1.00 21.22 N ATOM 0 H ARG A 5 -9.894 19.989 -2.237 1.00 34.33 H new ATOM 0 HA ARG A 5 -7.289 18.955 -1.661 1.00 63.51 H new ATOM 0 HB2 ARG A 5 -9.757 19.202 0.102 1.00 12.34 H new ATOM 0 HB3 ARG A 5 -8.110 18.979 0.658 1.00 12.34 H new ATOM 0 HG2 ARG A 5 -7.567 21.173 0.373 1.00 2.32 H new ATOM 0 HG3 ARG A 5 -8.480 21.322 -1.115 1.00 2.32 H new ATOM 0 HD2 ARG A 5 -10.532 20.995 0.654 1.00 31.35 H new ATOM 0 HD3 ARG A 5 -9.354 21.756 1.705 1.00 31.35 H new ATOM 0 HE ARG A 5 -10.786 22.996 -0.526 1.00 25.32 H new ATOM 0 HH11 ARG A 5 -7.932 23.116 1.549 1.00 33.14 H new ATOM 0 HH12 ARG A 5 -7.677 24.846 1.294 1.00 33.14 H new ATOM 0 HH21 ARG A 5 -10.452 25.218 -0.849 1.00 21.22 H new ATOM 0 HH22 ARG A 5 -9.098 26.030 -0.058 1.00 21.22 H new ATOM 105 N GLU A 6 -9.812 16.890 -1.822 1.00 63.23 N ATOM 106 CA GLU A 6 -10.186 15.480 -1.822 1.00 54.45 C ATOM 107 C GLU A 6 -9.189 14.652 -2.627 1.00 3.21 C ATOM 108 O GLU A 6 -9.014 13.459 -2.379 1.00 52.54 O ATOM 109 CB GLU A 6 -11.594 15.303 -2.395 1.00 23.23 C ATOM 110 CG GLU A 6 -12.417 14.249 -1.672 1.00 64.24 C ATOM 111 CD GLU A 6 -12.797 13.090 -2.571 1.00 23.41 C ATOM 112 OE1 GLU A 6 -11.998 12.135 -2.678 1.00 61.12 O ATOM 113 OE2 GLU A 6 -13.893 13.135 -3.169 1.00 55.22 O ATOM 0 H GLU A 6 -10.542 17.520 -2.153 1.00 63.23 H new ATOM 0 HA GLU A 6 -10.174 15.128 -0.791 1.00 54.45 H new ATOM 0 HB2 GLU A 6 -12.119 16.257 -2.348 1.00 23.23 H new ATOM 0 HB3 GLU A 6 -11.517 15.033 -3.448 1.00 23.23 H new ATOM 0 HG2 GLU A 6 -11.851 13.873 -0.820 1.00 64.24 H new ATOM 0 HG3 GLU A 6 -13.322 14.709 -1.276 1.00 64.24 H new ATOM 121 N GLU A 7 -8.539 15.295 -3.593 1.00 22.23 N ATOM 122 CA GLU A 7 -7.560 14.616 -4.436 1.00 55.04 C ATOM 123 C GLU A 7 -6.500 13.921 -3.587 1.00 13.20 C ATOM 124 O GLU A 7 -5.970 12.878 -3.969 1.00 74.21 O ATOM 125 CB GLU A 7 -6.895 15.614 -5.386 1.00 31.50 C ATOM 126 CG GLU A 7 -5.855 16.494 -4.714 1.00 42.42 C ATOM 127 CD GLU A 7 -5.432 17.664 -5.582 1.00 30.11 C ATOM 128 OE1 GLU A 7 -5.920 17.759 -6.727 1.00 30.41 O ATOM 129 OE2 GLU A 7 -4.614 18.484 -5.116 1.00 25.24 O ATOM 0 H GLU A 7 -8.672 16.283 -3.811 1.00 22.23 H new ATOM 0 HA GLU A 7 -8.084 13.860 -5.022 1.00 55.04 H new ATOM 0 HB2 GLU A 7 -6.423 15.067 -6.202 1.00 31.50 H new ATOM 0 HB3 GLU A 7 -7.663 16.248 -5.829 1.00 31.50 H new ATOM 0 HG2 GLU A 7 -6.256 16.871 -3.773 1.00 42.42 H new ATOM 0 HG3 GLU A 7 -4.979 15.893 -4.469 1.00 42.42 H new ATOM 137 N ALA A 8 -6.195 14.508 -2.434 1.00 14.13 N ATOM 138 CA ALA A 8 -5.200 13.945 -1.530 1.00 33.15 C ATOM 139 C ALA A 8 -5.751 12.727 -0.796 1.00 21.12 C ATOM 140 O ALA A 8 -5.001 11.829 -0.413 1.00 62.32 O ATOM 141 CB ALA A 8 -4.736 14.997 -0.535 1.00 3.41 C ATOM 0 H ALA A 8 -6.623 15.373 -2.104 1.00 14.13 H new ATOM 0 HA ALA A 8 -4.346 13.622 -2.126 1.00 33.15 H new ATOM 0 HB1 ALA A 8 -3.993 14.563 0.134 1.00 3.41 H new ATOM 0 HB2 ALA A 8 -4.294 15.836 -1.072 1.00 3.41 H new ATOM 0 HB3 ALA A 8 -5.588 15.348 0.048 1.00 3.41 H new ATOM 147 N ALA A 9 -7.066 12.704 -0.602 1.00 22.52 N ATOM 148 CA ALA A 9 -7.717 11.595 0.085 1.00 41.31 C ATOM 149 C ALA A 9 -7.784 10.360 -0.807 1.00 11.13 C ATOM 150 O ALA A 9 -7.619 9.233 -0.338 1.00 2.52 O ATOM 151 CB ALA A 9 -9.113 12.000 0.534 1.00 13.33 C ATOM 0 H ALA A 9 -7.701 13.440 -0.911 1.00 22.52 H new ATOM 0 HA ALA A 9 -7.122 11.345 0.964 1.00 41.31 H new ATOM 0 HB1 ALA A 9 -9.588 11.163 1.046 1.00 13.33 H new ATOM 0 HB2 ALA A 9 -9.044 12.849 1.214 1.00 13.33 H new ATOM 0 HB3 ALA A 9 -9.708 12.279 -0.335 1.00 13.33 H new ATOM 157 N LYS A 10 -8.026 10.577 -2.094 1.00 70.15 N ATOM 158 CA LYS A 10 -8.114 9.482 -3.053 1.00 12.33 C ATOM 159 C LYS A 10 -6.790 8.731 -3.144 1.00 33.12 C ATOM 160 O LYS A 10 -6.764 7.529 -3.410 1.00 22.34 O ATOM 161 CB LYS A 10 -8.507 10.015 -4.433 1.00 44.22 C ATOM 162 CG LYS A 10 -9.663 10.999 -4.399 1.00 5.02 C ATOM 163 CD LYS A 10 -10.537 10.876 -5.636 1.00 54.10 C ATOM 164 CE LYS A 10 -11.480 9.686 -5.535 1.00 3.44 C ATOM 165 NZ LYS A 10 -11.622 8.979 -6.838 1.00 23.11 N ATOM 0 H LYS A 10 -8.165 11.503 -2.499 1.00 70.15 H new ATOM 0 HA LYS A 10 -8.881 8.789 -2.706 1.00 12.33 H new ATOM 0 HB2 LYS A 10 -7.642 10.499 -4.886 1.00 44.22 H new ATOM 0 HB3 LYS A 10 -8.774 9.175 -5.075 1.00 44.22 H new ATOM 0 HG2 LYS A 10 -10.265 10.823 -3.508 1.00 5.02 H new ATOM 0 HG3 LYS A 10 -9.275 12.015 -4.326 1.00 5.02 H new ATOM 0 HD2 LYS A 10 -11.116 11.790 -5.767 1.00 54.10 H new ATOM 0 HD3 LYS A 10 -9.907 10.769 -6.519 1.00 54.10 H new ATOM 0 HE2 LYS A 10 -11.108 8.990 -4.783 1.00 3.44 H new ATOM 0 HE3 LYS A 10 -12.459 10.026 -5.198 1.00 3.44 H new ATOM 0 HZ1 LYS A 10 -12.272 8.175 -6.728 1.00 23.11 H new ATOM 0 HZ2 LYS A 10 -12.001 9.636 -7.550 1.00 23.11 H new ATOM 0 HZ3 LYS A 10 -10.692 8.632 -7.148 1.00 23.11 H new ATOM 179 N LEU A 11 -5.693 9.446 -2.920 1.00 43.12 N ATOM 180 CA LEU A 11 -4.364 8.847 -2.975 1.00 15.14 C ATOM 181 C LEU A 11 -4.292 7.602 -2.097 1.00 20.44 C ATOM 182 O LEU A 11 -3.757 6.571 -2.507 1.00 35.31 O ATOM 183 CB LEU A 11 -3.307 9.859 -2.530 1.00 73.54 C ATOM 184 CG LEU A 11 -3.225 11.147 -3.351 1.00 63.32 C ATOM 185 CD1 LEU A 11 -2.055 12.001 -2.887 1.00 62.50 C ATOM 186 CD2 LEU A 11 -3.099 10.827 -4.834 1.00 2.24 C ATOM 0 H LEU A 11 -5.698 10.442 -2.698 1.00 43.12 H new ATOM 0 HA LEU A 11 -4.167 8.555 -4.007 1.00 15.14 H new ATOM 0 HB2 LEU A 11 -3.502 10.125 -1.491 1.00 73.54 H new ATOM 0 HB3 LEU A 11 -2.332 9.372 -2.556 1.00 73.54 H new ATOM 0 HG LEU A 11 -4.144 11.712 -3.199 1.00 63.32 H new ATOM 0 HD11 LEU A 11 -2.012 12.913 -3.482 1.00 62.50 H new ATOM 0 HD12 LEU A 11 -2.187 12.259 -1.836 1.00 62.50 H new ATOM 0 HD13 LEU A 11 -1.126 11.444 -3.010 1.00 62.50 H new ATOM 0 HD21 LEU A 11 -3.042 11.755 -5.403 1.00 2.24 H new ATOM 0 HD22 LEU A 11 -2.196 10.241 -5.004 1.00 2.24 H new ATOM 0 HD23 LEU A 11 -3.969 10.256 -5.158 1.00 2.24 H new ATOM 198 N PHE A 12 -4.836 7.703 -0.889 1.00 31.11 N ATOM 199 CA PHE A 12 -4.835 6.583 0.046 1.00 41.45 C ATOM 200 C PHE A 12 -5.848 5.523 -0.374 1.00 14.31 C ATOM 201 O PHE A 12 -5.689 4.343 -0.064 1.00 21.13 O ATOM 202 CB PHE A 12 -5.150 7.074 1.461 1.00 44.40 C ATOM 203 CG PHE A 12 -4.103 7.994 2.023 1.00 33.23 C ATOM 204 CD1 PHE A 12 -2.756 7.723 1.844 1.00 45.20 C ATOM 205 CD2 PHE A 12 -4.466 9.128 2.730 1.00 71.14 C ATOM 206 CE1 PHE A 12 -1.791 8.566 2.361 1.00 41.44 C ATOM 207 CE2 PHE A 12 -3.506 9.976 3.249 1.00 73.40 C ATOM 208 CZ PHE A 12 -2.167 9.696 3.064 1.00 4.13 C ATOM 0 H PHE A 12 -5.283 8.548 -0.534 1.00 31.11 H new ATOM 0 HA PHE A 12 -3.842 6.134 0.037 1.00 41.45 H new ATOM 0 HB2 PHE A 12 -6.110 7.591 1.453 1.00 44.40 H new ATOM 0 HB3 PHE A 12 -5.257 6.213 2.120 1.00 44.40 H new ATOM 0 HD1 PHE A 12 -2.457 6.843 1.294 1.00 45.20 H new ATOM 0 HD2 PHE A 12 -5.512 9.352 2.878 1.00 71.14 H new ATOM 0 HE1 PHE A 12 -0.744 8.343 2.216 1.00 41.44 H new ATOM 0 HE2 PHE A 12 -3.803 10.857 3.799 1.00 73.40 H new ATOM 0 HZ PHE A 12 -1.415 10.358 3.467 1.00 4.13 H new ATOM 218 N GLU A 13 -6.889 5.953 -1.079 1.00 73.14 N ATOM 219 CA GLU A 13 -7.929 5.041 -1.539 1.00 64.42 C ATOM 220 C GLU A 13 -7.325 3.882 -2.328 1.00 34.22 C ATOM 221 O GLU A 13 -7.834 2.762 -2.291 1.00 41.41 O ATOM 222 CB GLU A 13 -8.946 5.786 -2.406 1.00 51.51 C ATOM 223 CG GLU A 13 -10.391 5.513 -2.021 1.00 3.44 C ATOM 224 CD GLU A 13 -11.231 5.055 -3.197 1.00 44.55 C ATOM 225 OE1 GLU A 13 -11.560 5.901 -4.055 1.00 51.14 O ATOM 226 OE2 GLU A 13 -11.560 3.853 -3.259 1.00 64.43 O ATOM 0 H GLU A 13 -7.035 6.927 -1.344 1.00 73.14 H new ATOM 0 HA GLU A 13 -8.436 4.638 -0.663 1.00 64.42 H new ATOM 0 HB2 GLU A 13 -8.756 6.857 -2.335 1.00 51.51 H new ATOM 0 HB3 GLU A 13 -8.797 5.505 -3.448 1.00 51.51 H new ATOM 0 HG2 GLU A 13 -10.418 4.751 -1.242 1.00 3.44 H new ATOM 0 HG3 GLU A 13 -10.828 6.418 -1.598 1.00 3.44 H new ATOM 234 N GLU A 14 -6.239 4.161 -3.040 1.00 64.10 N ATOM 235 CA GLU A 14 -5.567 3.142 -3.838 1.00 64.44 C ATOM 236 C GLU A 14 -4.893 2.107 -2.944 1.00 74.10 C ATOM 237 O GLU A 14 -4.852 0.921 -3.272 1.00 34.03 O ATOM 238 CB GLU A 14 -4.530 3.787 -4.762 1.00 52.32 C ATOM 239 CG GLU A 14 -5.092 4.911 -5.617 1.00 22.33 C ATOM 240 CD GLU A 14 -4.347 5.073 -6.927 1.00 45.55 C ATOM 241 OE1 GLU A 14 -3.131 5.359 -6.886 1.00 22.12 O ATOM 242 OE2 GLU A 14 -4.978 4.917 -7.993 1.00 64.11 O ATOM 0 H GLU A 14 -5.805 5.083 -3.081 1.00 64.10 H new ATOM 0 HA GLU A 14 -6.320 2.638 -4.444 1.00 64.44 H new ATOM 0 HB2 GLU A 14 -3.710 4.176 -4.158 1.00 52.32 H new ATOM 0 HB3 GLU A 14 -4.110 3.021 -5.414 1.00 52.32 H new ATOM 0 HG2 GLU A 14 -6.144 4.715 -5.823 1.00 22.33 H new ATOM 0 HG3 GLU A 14 -5.046 5.846 -5.058 1.00 22.33 H new ATOM 250 N TRP A 15 -4.366 2.563 -1.813 1.00 74.45 N ATOM 251 CA TRP A 15 -3.693 1.676 -0.871 1.00 71.12 C ATOM 252 C TRP A 15 -4.671 0.666 -0.281 1.00 63.21 C ATOM 253 O TRP A 15 -4.362 -0.520 -0.169 1.00 40.12 O ATOM 254 CB TRP A 15 -3.043 2.489 0.249 1.00 50.34 C ATOM 255 CG TRP A 15 -1.928 1.762 0.939 1.00 50.50 C ATOM 256 CD1 TRP A 15 -1.539 0.470 0.731 1.00 41.11 C ATOM 257 CD2 TRP A 15 -1.061 2.287 1.951 1.00 1.15 C ATOM 258 NE1 TRP A 15 -0.482 0.159 1.553 1.00 62.35 N ATOM 259 CE2 TRP A 15 -0.169 1.256 2.310 1.00 43.24 C ATOM 260 CE3 TRP A 15 -0.949 3.526 2.587 1.00 32.23 C ATOM 261 CZ2 TRP A 15 0.818 1.430 3.276 1.00 23.00 C ATOM 262 CZ3 TRP A 15 0.031 3.696 3.546 1.00 11.21 C ATOM 263 CH2 TRP A 15 0.905 2.653 3.883 1.00 63.14 C ATOM 0 H TRP A 15 -4.392 3.542 -1.526 1.00 74.45 H new ATOM 0 HA TRP A 15 -2.919 1.131 -1.412 1.00 71.12 H new ATOM 0 HB2 TRP A 15 -2.659 3.421 -0.164 1.00 50.34 H new ATOM 0 HB3 TRP A 15 -3.803 2.755 0.983 1.00 50.34 H new ATOM 0 HD1 TRP A 15 -1.995 -0.208 0.025 1.00 41.11 H new ATOM 0 HE1 TRP A 15 -0.008 -0.743 1.593 1.00 62.35 H new ATOM 0 HE3 TRP A 15 -1.616 4.336 2.334 1.00 32.23 H new ATOM 0 HZ2 TRP A 15 1.492 0.627 3.537 1.00 23.00 H new ATOM 0 HZ3 TRP A 15 0.125 4.649 4.045 1.00 11.21 H new ATOM 0 HH2 TRP A 15 1.661 2.818 4.636 1.00 63.14 H new ATOM 274 N LYS A 16 -5.854 1.142 0.094 1.00 45.43 N ATOM 275 CA LYS A 16 -6.879 0.281 0.671 1.00 44.20 C ATOM 276 C LYS A 16 -7.573 -0.539 -0.412 1.00 51.52 C ATOM 277 O LYS A 16 -8.063 -1.638 -0.154 1.00 62.31 O ATOM 278 CB LYS A 16 -7.908 1.118 1.432 1.00 12.11 C ATOM 279 CG LYS A 16 -8.509 2.242 0.606 1.00 72.23 C ATOM 280 CD LYS A 16 -9.777 2.785 1.243 1.00 43.43 C ATOM 281 CE LYS A 16 -10.992 1.954 0.864 1.00 72.23 C ATOM 282 NZ LYS A 16 -12.193 2.802 0.626 1.00 32.40 N ATOM 0 H LYS A 16 -6.126 2.121 0.008 1.00 45.43 H new ATOM 0 HA LYS A 16 -6.394 -0.405 1.366 1.00 44.20 H new ATOM 0 HB2 LYS A 16 -8.709 0.466 1.780 1.00 12.11 H new ATOM 0 HB3 LYS A 16 -7.435 1.542 2.318 1.00 12.11 H new ATOM 0 HG2 LYS A 16 -7.781 3.046 0.500 1.00 72.23 H new ATOM 0 HG3 LYS A 16 -8.731 1.879 -0.397 1.00 72.23 H new ATOM 0 HD2 LYS A 16 -9.665 2.794 2.327 1.00 43.43 H new ATOM 0 HD3 LYS A 16 -9.929 3.818 0.929 1.00 43.43 H new ATOM 0 HE2 LYS A 16 -10.771 1.377 -0.034 1.00 72.23 H new ATOM 0 HE3 LYS A 16 -11.205 1.238 1.658 1.00 72.23 H new ATOM 0 HZ1 LYS A 16 -13.000 2.197 0.370 1.00 32.40 H new ATOM 0 HZ2 LYS A 16 -12.419 3.334 1.491 1.00 32.40 H new ATOM 0 HZ3 LYS A 16 -12.000 3.468 -0.149 1.00 32.40 H new ATOM 296 N LYS A 17 -7.612 0.004 -1.624 1.00 4.02 N ATOM 297 CA LYS A 17 -8.244 -0.677 -2.748 1.00 31.21 C ATOM 298 C LYS A 17 -7.368 -1.818 -3.256 1.00 52.13 C ATOM 299 O LYS A 17 -7.813 -2.962 -3.346 1.00 25.12 O ATOM 300 CB LYS A 17 -8.519 0.313 -3.882 1.00 41.44 C ATOM 301 CG LYS A 17 -9.883 0.976 -3.794 1.00 33.42 C ATOM 302 CD LYS A 17 -10.993 0.020 -4.199 1.00 54.43 C ATOM 303 CE LYS A 17 -12.144 0.756 -4.869 1.00 33.41 C ATOM 304 NZ LYS A 17 -13.316 -0.136 -5.092 1.00 54.22 N ATOM 0 H LYS A 17 -7.213 0.914 -1.853 1.00 4.02 H new ATOM 0 HA LYS A 17 -9.189 -1.095 -2.402 1.00 31.21 H new ATOM 0 HB2 LYS A 17 -7.749 1.084 -3.875 1.00 41.44 H new ATOM 0 HB3 LYS A 17 -8.439 -0.209 -4.836 1.00 41.44 H new ATOM 0 HG2 LYS A 17 -10.055 1.324 -2.775 1.00 33.42 H new ATOM 0 HG3 LYS A 17 -9.904 1.854 -4.439 1.00 33.42 H new ATOM 0 HD2 LYS A 17 -10.596 -0.733 -4.879 1.00 54.43 H new ATOM 0 HD3 LYS A 17 -11.360 -0.507 -3.319 1.00 54.43 H new ATOM 0 HE2 LYS A 17 -12.444 1.602 -4.250 1.00 33.41 H new ATOM 0 HE3 LYS A 17 -11.809 1.162 -5.824 1.00 33.41 H new ATOM 0 HZ1 LYS A 17 -14.079 0.402 -5.550 1.00 54.22 H new ATOM 0 HZ2 LYS A 17 -13.037 -0.930 -5.703 1.00 54.22 H new ATOM 0 HZ3 LYS A 17 -13.651 -0.503 -4.179 1.00 54.22 H new ATOM 318 N LEU A 18 -6.121 -1.498 -3.586 1.00 54.33 N ATOM 319 CA LEU A 18 -5.182 -2.497 -4.083 1.00 10.12 C ATOM 320 C LEU A 18 -5.066 -3.667 -3.112 1.00 12.22 C ATOM 321 O LEU A 18 -4.877 -4.811 -3.523 1.00 5.22 O ATOM 322 CB LEU A 18 -3.807 -1.865 -4.306 1.00 32.23 C ATOM 323 CG LEU A 18 -3.735 -0.769 -5.369 1.00 51.14 C ATOM 324 CD1 LEU A 18 -2.524 0.121 -5.138 1.00 24.11 C ATOM 325 CD2 LEU A 18 -3.693 -1.379 -6.762 1.00 12.10 C ATOM 0 H LEU A 18 -5.737 -0.555 -3.518 1.00 54.33 H new ATOM 0 HA LEU A 18 -5.560 -2.875 -5.033 1.00 10.12 H new ATOM 0 HB2 LEU A 18 -3.464 -1.448 -3.359 1.00 32.23 H new ATOM 0 HB3 LEU A 18 -3.107 -2.654 -4.579 1.00 32.23 H new ATOM 0 HG LEU A 18 -4.632 -0.154 -5.290 1.00 51.14 H new ATOM 0 HD11 LEU A 18 -2.490 0.895 -5.905 1.00 24.11 H new ATOM 0 HD12 LEU A 18 -2.597 0.587 -4.155 1.00 24.11 H new ATOM 0 HD13 LEU A 18 -1.616 -0.480 -5.188 1.00 24.11 H new ATOM 0 HD21 LEU A 18 -3.642 -0.584 -7.506 1.00 12.10 H new ATOM 0 HD22 LEU A 18 -2.815 -2.018 -6.853 1.00 12.10 H new ATOM 0 HD23 LEU A 18 -4.592 -1.973 -6.927 1.00 12.10 H new ATOM 337 N ALA A 19 -5.184 -3.372 -1.821 1.00 42.30 N ATOM 338 CA ALA A 19 -5.096 -4.400 -0.792 1.00 13.33 C ATOM 339 C ALA A 19 -6.265 -5.375 -0.889 1.00 41.21 C ATOM 340 O ALA A 19 -6.153 -6.533 -0.487 1.00 50.42 O ATOM 341 CB ALA A 19 -5.051 -3.762 0.589 1.00 74.04 C ATOM 0 H ALA A 19 -5.341 -2.430 -1.464 1.00 42.30 H new ATOM 0 HA ALA A 19 -4.175 -4.961 -0.951 1.00 13.33 H new ATOM 0 HB1 ALA A 19 -4.985 -4.542 1.348 1.00 74.04 H new ATOM 0 HB2 ALA A 19 -4.180 -3.111 0.661 1.00 74.04 H new ATOM 0 HB3 ALA A 19 -5.956 -3.176 0.749 1.00 74.04 H new ATOM 347 N GLU A 20 -7.384 -4.898 -1.423 1.00 51.24 N ATOM 348 CA GLU A 20 -8.573 -5.729 -1.571 1.00 70.25 C ATOM 349 C GLU A 20 -8.394 -6.740 -2.699 1.00 33.21 C ATOM 350 O GLU A 20 -8.648 -7.931 -2.525 1.00 35.12 O ATOM 351 CB GLU A 20 -9.802 -4.857 -1.843 1.00 4.21 C ATOM 352 CG GLU A 20 -11.079 -5.393 -1.220 1.00 50.44 C ATOM 353 CD GLU A 20 -11.336 -4.827 0.162 1.00 12.53 C ATOM 354 OE1 GLU A 20 -11.683 -3.630 0.258 1.00 4.03 O ATOM 355 OE2 GLU A 20 -11.191 -5.579 1.148 1.00 14.22 O ATOM 0 H GLU A 20 -7.493 -3.941 -1.760 1.00 51.24 H new ATOM 0 HA GLU A 20 -8.722 -6.274 -0.639 1.00 70.25 H new ATOM 0 HB2 GLU A 20 -9.616 -3.853 -1.462 1.00 4.21 H new ATOM 0 HB3 GLU A 20 -9.943 -4.768 -2.920 1.00 4.21 H new ATOM 0 HG2 GLU A 20 -11.922 -5.156 -1.868 1.00 50.44 H new ATOM 0 HG3 GLU A 20 -11.020 -6.480 -1.158 1.00 50.44 H new ATOM 363 N GLU A 21 -7.956 -6.255 -3.857 1.00 21.13 N ATOM 364 CA GLU A 21 -7.744 -7.116 -5.014 1.00 20.53 C ATOM 365 C GLU A 21 -6.501 -7.982 -4.828 1.00 24.15 C ATOM 366 O GLU A 21 -6.542 -9.197 -5.021 1.00 60.02 O ATOM 367 CB GLU A 21 -7.608 -6.276 -6.285 1.00 23.33 C ATOM 368 CG GLU A 21 -8.745 -5.289 -6.486 1.00 25.30 C ATOM 369 CD GLU A 21 -9.606 -5.628 -7.688 1.00 20.02 C ATOM 370 OE1 GLU A 21 -9.653 -4.812 -8.633 1.00 11.20 O ATOM 371 OE2 GLU A 21 -10.233 -6.708 -7.684 1.00 2.05 O ATOM 0 H GLU A 21 -7.741 -5.271 -4.018 1.00 21.13 H new ATOM 0 HA GLU A 21 -8.610 -7.770 -5.111 1.00 20.53 H new ATOM 0 HB2 GLU A 21 -6.666 -5.730 -6.250 1.00 23.33 H new ATOM 0 HB3 GLU A 21 -7.559 -6.942 -7.147 1.00 23.33 H new ATOM 0 HG2 GLU A 21 -9.368 -5.270 -5.591 1.00 25.30 H new ATOM 0 HG3 GLU A 21 -8.334 -4.287 -6.609 1.00 25.30 H new ATOM 379 N ALA A 22 -5.395 -7.347 -4.452 1.00 14.41 N ATOM 380 CA ALA A 22 -4.142 -8.057 -4.238 1.00 4.05 C ATOM 381 C ALA A 22 -4.314 -9.184 -3.226 1.00 53.42 C ATOM 382 O ALA A 22 -3.631 -10.205 -3.296 1.00 33.44 O ATOM 383 CB ALA A 22 -3.059 -7.092 -3.777 1.00 73.05 C ATOM 0 H ALA A 22 -5.343 -6.341 -4.290 1.00 14.41 H new ATOM 0 HA ALA A 22 -3.839 -8.500 -5.187 1.00 4.05 H new ATOM 0 HB1 ALA A 22 -2.128 -7.637 -3.621 1.00 73.05 H new ATOM 0 HB2 ALA A 22 -2.908 -6.325 -4.537 1.00 73.05 H new ATOM 0 HB3 ALA A 22 -3.365 -6.621 -2.843 1.00 73.05 H new ATOM 389 N ALA A 23 -5.232 -8.991 -2.283 1.00 25.44 N ATOM 390 CA ALA A 23 -5.494 -9.992 -1.257 1.00 72.41 C ATOM 391 C ALA A 23 -6.201 -11.208 -1.845 1.00 13.00 C ATOM 392 O ALA A 23 -5.743 -12.340 -1.691 1.00 34.43 O ATOM 393 CB ALA A 23 -6.324 -9.389 -0.133 1.00 75.20 C ATOM 0 H ALA A 23 -5.806 -8.151 -2.209 1.00 25.44 H new ATOM 0 HA ALA A 23 -4.537 -10.321 -0.852 1.00 72.41 H new ATOM 0 HB1 ALA A 23 -6.513 -10.147 0.627 1.00 75.20 H new ATOM 0 HB2 ALA A 23 -5.782 -8.555 0.313 1.00 75.20 H new ATOM 0 HB3 ALA A 23 -7.273 -9.032 -0.533 1.00 75.20 H new ATOM 399 N LYS A 24 -7.321 -10.968 -2.519 1.00 1.11 N ATOM 400 CA LYS A 24 -8.092 -12.044 -3.131 1.00 24.41 C ATOM 401 C LYS A 24 -7.279 -12.748 -4.212 1.00 22.24 C ATOM 402 O LYS A 24 -7.401 -13.959 -4.406 1.00 11.41 O ATOM 403 CB LYS A 24 -9.388 -11.493 -3.730 1.00 70.20 C ATOM 404 CG LYS A 24 -9.167 -10.367 -4.725 1.00 75.52 C ATOM 405 CD LYS A 24 -10.481 -9.865 -5.300 1.00 74.00 C ATOM 406 CE LYS A 24 -11.209 -8.959 -4.319 1.00 2.01 C ATOM 407 NZ LYS A 24 -11.351 -7.573 -4.845 1.00 5.33 N ATOM 0 H LYS A 24 -7.715 -10.037 -2.655 1.00 1.11 H new ATOM 0 HA LYS A 24 -8.337 -12.769 -2.355 1.00 24.41 H new ATOM 0 HB2 LYS A 24 -9.923 -12.304 -4.224 1.00 70.20 H new ATOM 0 HB3 LYS A 24 -10.027 -11.134 -2.924 1.00 70.20 H new ATOM 0 HG2 LYS A 24 -8.645 -9.545 -4.235 1.00 75.52 H new ATOM 0 HG3 LYS A 24 -8.525 -10.716 -5.534 1.00 75.52 H new ATOM 0 HD2 LYS A 24 -10.290 -9.322 -6.226 1.00 74.00 H new ATOM 0 HD3 LYS A 24 -11.116 -10.714 -5.553 1.00 74.00 H new ATOM 0 HE2 LYS A 24 -12.196 -9.370 -4.108 1.00 2.01 H new ATOM 0 HE3 LYS A 24 -10.665 -8.935 -3.374 1.00 2.01 H new ATOM 0 HZ1 LYS A 24 -10.921 -6.902 -4.177 1.00 5.33 H new ATOM 0 HZ2 LYS A 24 -10.872 -7.500 -5.765 1.00 5.33 H new ATOM 0 HZ3 LYS A 24 -12.360 -7.347 -4.961 1.00 5.33 H new ATOM 421 N LEU A 25 -6.448 -11.985 -4.913 1.00 23.31 N ATOM 422 CA LEU A 25 -5.613 -12.537 -5.975 1.00 62.43 C ATOM 423 C LEU A 25 -4.420 -13.288 -5.394 1.00 3.22 C ATOM 424 O LEU A 25 -4.028 -14.340 -5.900 1.00 32.53 O ATOM 425 CB LEU A 25 -5.126 -11.420 -6.901 1.00 35.04 C ATOM 426 CG LEU A 25 -5.891 -11.257 -8.215 1.00 11.41 C ATOM 427 CD1 LEU A 25 -5.302 -10.122 -9.037 1.00 43.55 C ATOM 428 CD2 LEU A 25 -5.873 -12.556 -9.007 1.00 32.33 C ATOM 0 H LEU A 25 -6.334 -10.982 -4.766 1.00 23.31 H new ATOM 0 HA LEU A 25 -6.216 -13.240 -6.550 1.00 62.43 H new ATOM 0 HB2 LEU A 25 -5.174 -10.477 -6.356 1.00 35.04 H new ATOM 0 HB3 LEU A 25 -4.077 -11.600 -7.134 1.00 35.04 H new ATOM 0 HG LEU A 25 -6.927 -11.011 -7.982 1.00 11.41 H new ATOM 0 HD11 LEU A 25 -5.859 -10.020 -9.969 1.00 43.55 H new ATOM 0 HD12 LEU A 25 -5.367 -9.192 -8.472 1.00 43.55 H new ATOM 0 HD13 LEU A 25 -4.257 -10.339 -9.260 1.00 43.55 H new ATOM 0 HD21 LEU A 25 -6.422 -12.422 -9.939 1.00 32.33 H new ATOM 0 HD22 LEU A 25 -4.842 -12.832 -9.230 1.00 32.33 H new ATOM 0 HD23 LEU A 25 -6.342 -13.346 -8.421 1.00 32.33 H new ATOM 440 N LEU A 26 -3.846 -12.741 -4.327 1.00 23.43 N ATOM 441 CA LEU A 26 -2.698 -13.361 -3.675 1.00 2.14 C ATOM 442 C LEU A 26 -2.969 -14.832 -3.377 1.00 3.23 C ATOM 443 O LEU A 26 -2.154 -15.698 -3.694 1.00 21.34 O ATOM 444 CB LEU A 26 -2.362 -12.620 -2.380 1.00 1.43 C ATOM 445 CG LEU A 26 -1.229 -11.596 -2.466 1.00 0.04 C ATOM 446 CD1 LEU A 26 -1.348 -10.573 -1.347 1.00 41.31 C ATOM 447 CD2 LEU A 26 0.123 -12.292 -2.413 1.00 3.34 C ATOM 0 H LEU A 26 -4.157 -11.870 -3.896 1.00 23.43 H new ATOM 0 HA LEU A 26 -1.848 -13.298 -4.354 1.00 2.14 H new ATOM 0 HB2 LEU A 26 -3.261 -12.109 -2.034 1.00 1.43 H new ATOM 0 HB3 LEU A 26 -2.102 -13.357 -1.620 1.00 1.43 H new ATOM 0 HG LEU A 26 -1.309 -11.073 -3.419 1.00 0.04 H new ATOM 0 HD11 LEU A 26 -0.534 -9.853 -1.424 1.00 41.31 H new ATOM 0 HD12 LEU A 26 -2.302 -10.052 -1.430 1.00 41.31 H new ATOM 0 HD13 LEU A 26 -1.294 -11.080 -0.383 1.00 41.31 H new ATOM 0 HD21 LEU A 26 0.918 -11.549 -2.475 1.00 3.34 H new ATOM 0 HD22 LEU A 26 0.213 -12.841 -1.476 1.00 3.34 H new ATOM 0 HD23 LEU A 26 0.208 -12.985 -3.250 1.00 3.34 H new ATOM 459 N GLU A 27 -4.118 -15.106 -2.768 1.00 44.12 N ATOM 460 CA GLU A 27 -4.496 -16.473 -2.429 1.00 42.22 C ATOM 461 C GLU A 27 -5.305 -17.108 -3.556 1.00 23.43 C ATOM 462 O GLU A 27 -5.922 -18.157 -3.377 1.00 2.22 O ATOM 463 CB GLU A 27 -5.304 -16.495 -1.130 1.00 73.41 C ATOM 464 CG GLU A 27 -4.630 -15.764 0.018 1.00 2.13 C ATOM 465 CD GLU A 27 -5.569 -15.516 1.182 1.00 13.44 C ATOM 466 OE1 GLU A 27 -5.615 -16.364 2.099 1.00 65.31 O ATOM 467 OE2 GLU A 27 -6.258 -14.475 1.179 1.00 64.41 O ATOM 0 H GLU A 27 -4.803 -14.400 -2.499 1.00 44.12 H new ATOM 0 HA GLU A 27 -3.583 -17.052 -2.290 1.00 42.22 H new ATOM 0 HB2 GLU A 27 -6.281 -16.046 -1.312 1.00 73.41 H new ATOM 0 HB3 GLU A 27 -5.478 -17.531 -0.838 1.00 73.41 H new ATOM 0 HG2 GLU A 27 -3.775 -16.346 0.363 1.00 2.13 H new ATOM 0 HG3 GLU A 27 -4.242 -14.811 -0.341 1.00 2.13 H new ATOM 475 N GLY A 28 -5.299 -16.463 -4.719 1.00 3.33 N ATOM 476 CA GLY A 28 -6.035 -16.979 -5.858 1.00 21.00 C ATOM 477 C GLY A 28 -5.366 -18.187 -6.483 1.00 52.10 C ATOM 478 O GLY A 28 -4.993 -18.162 -7.654 1.00 5.43 O ATOM 0 H GLY A 28 -4.797 -15.592 -4.892 1.00 3.33 H new ATOM 0 HA2 GLY A 28 -7.043 -17.248 -5.543 1.00 21.00 H new ATOM 0 HA3 GLY A 28 -6.134 -16.194 -6.608 1.00 21.00 H new ATOM 482 N GLY A 29 -5.214 -19.249 -5.698 1.00 12.32 N ATOM 483 CA GLY A 29 -4.584 -20.457 -6.197 1.00 43.10 C ATOM 484 C GLY A 29 -3.242 -20.184 -6.849 1.00 13.02 C ATOM 485 O GLY A 29 -2.911 -20.776 -7.876 1.00 11.32 O ATOM 0 H GLY A 29 -5.516 -19.294 -4.725 1.00 12.32 H new ATOM 0 HA2 GLY A 29 -4.449 -21.159 -5.374 1.00 43.10 H new ATOM 0 HA3 GLY A 29 -5.245 -20.936 -6.919 1.00 43.10 H new ATOM 489 N GLY A 30 -2.468 -19.282 -6.252 1.00 31.15 N ATOM 490 CA GLY A 30 -1.166 -18.947 -6.796 1.00 64.00 C ATOM 491 C GLY A 30 -0.060 -19.820 -6.236 1.00 54.12 C ATOM 492 O GLY A 30 0.725 -20.397 -6.986 1.00 64.33 O ATOM 0 H GLY A 30 -2.720 -18.778 -5.402 1.00 31.15 H new ATOM 0 HA2 GLY A 30 -1.192 -19.050 -7.881 1.00 64.00 H new ATOM 0 HA3 GLY A 30 -0.944 -17.902 -6.580 1.00 64.00 H new ATOM 496 N GLY A 31 0.002 -19.916 -4.911 1.00 14.30 N ATOM 497 CA GLY A 31 1.024 -20.725 -4.273 1.00 0.14 C ATOM 498 C GLY A 31 0.647 -21.125 -2.860 1.00 24.12 C ATOM 499 O GLY A 31 0.770 -22.290 -2.484 1.00 20.04 O ATOM 0 H GLY A 31 -0.637 -19.448 -4.268 1.00 14.30 H new ATOM 0 HA2 GLY A 31 1.197 -21.622 -4.868 1.00 0.14 H new ATOM 0 HA3 GLY A 31 1.962 -20.170 -4.253 1.00 0.14 H new ATOM 503 N GLY A 32 0.190 -20.156 -2.074 1.00 32.32 N ATOM 504 CA GLY A 32 -0.197 -20.433 -0.703 1.00 4.22 C ATOM 505 C GLY A 32 -0.836 -19.236 -0.027 1.00 20.24 C ATOM 506 O GLY A 32 -1.948 -18.841 -0.373 1.00 72.24 O ATOM 0 H GLY A 32 0.081 -19.184 -2.362 1.00 32.32 H new ATOM 0 HA2 GLY A 32 -0.895 -21.270 -0.688 1.00 4.22 H new ATOM 0 HA3 GLY A 32 0.682 -20.740 -0.136 1.00 4.22 H new ATOM 510 N GLY A 33 -0.131 -18.658 0.941 1.00 34.31 N ATOM 511 CA GLY A 33 -0.655 -17.507 1.653 1.00 13.25 C ATOM 512 C GLY A 33 -1.750 -17.879 2.633 1.00 20.54 C ATOM 513 O GLY A 33 -2.808 -18.367 2.237 1.00 4.43 O ATOM 0 H GLY A 33 0.793 -18.966 1.245 1.00 34.31 H new ATOM 0 HA2 GLY A 33 0.157 -17.016 2.190 1.00 13.25 H new ATOM 0 HA3 GLY A 33 -1.045 -16.786 0.934 1.00 13.25 H new ATOM 517 N GLY A 34 -1.495 -17.650 3.918 1.00 34.34 N ATOM 518 CA GLY A 34 -2.476 -17.973 4.937 1.00 31.04 C ATOM 519 C GLY A 34 -1.907 -17.878 6.340 1.00 74.33 C ATOM 520 O GLY A 34 -1.466 -18.876 6.907 1.00 32.13 O ATOM 0 H GLY A 34 -0.627 -17.247 4.271 1.00 34.34 H new ATOM 0 HA2 GLY A 34 -3.326 -17.297 4.846 1.00 31.04 H new ATOM 0 HA3 GLY A 34 -2.852 -18.982 4.768 1.00 31.04 H new ATOM 524 N GLY A 35 -1.918 -16.672 6.900 1.00 45.20 N ATOM 525 CA GLY A 35 -1.394 -16.472 8.239 1.00 74.33 C ATOM 526 C GLY A 35 -0.685 -15.142 8.391 1.00 2.41 C ATOM 527 O GLY A 35 -1.204 -14.104 7.984 1.00 71.55 O ATOM 0 H GLY A 35 -2.280 -15.831 6.451 1.00 45.20 H new ATOM 0 HA2 GLY A 35 -2.211 -16.529 8.958 1.00 74.33 H new ATOM 0 HA3 GLY A 35 -0.702 -17.279 8.479 1.00 74.33 H new ATOM 531 N GLU A 36 0.507 -15.172 8.981 1.00 33.02 N ATOM 532 CA GLU A 36 1.287 -13.959 9.189 1.00 3.44 C ATOM 533 C GLU A 36 1.834 -13.431 7.865 1.00 53.52 C ATOM 534 O GLU A 36 1.925 -12.220 7.657 1.00 23.22 O ATOM 535 CB GLU A 36 2.440 -14.227 10.159 1.00 53.14 C ATOM 536 CG GLU A 36 3.421 -13.072 10.273 1.00 61.21 C ATOM 537 CD GLU A 36 3.666 -12.654 11.709 1.00 44.33 C ATOM 538 OE1 GLU A 36 2.690 -12.600 12.486 1.00 72.43 O ATOM 539 OE2 GLU A 36 4.834 -12.380 12.057 1.00 23.04 O ATOM 0 H GLU A 36 0.952 -16.024 9.323 1.00 33.02 H new ATOM 0 HA GLU A 36 0.629 -13.203 9.618 1.00 3.44 H new ATOM 0 HB2 GLU A 36 2.031 -14.444 11.146 1.00 53.14 H new ATOM 0 HB3 GLU A 36 2.977 -15.118 9.834 1.00 53.14 H new ATOM 0 HG2 GLU A 36 4.368 -13.358 9.815 1.00 61.21 H new ATOM 0 HG3 GLU A 36 3.040 -12.220 9.711 1.00 61.21 H new ATOM 547 N LEU A 37 2.197 -14.347 6.975 1.00 31.45 N ATOM 548 CA LEU A 37 2.735 -13.976 5.671 1.00 53.12 C ATOM 549 C LEU A 37 1.811 -12.993 4.960 1.00 71.11 C ATOM 550 O LEU A 37 2.225 -11.897 4.585 1.00 74.42 O ATOM 551 CB LEU A 37 2.936 -15.222 4.807 1.00 61.22 C ATOM 552 CG LEU A 37 3.136 -14.976 3.311 1.00 4.02 C ATOM 553 CD1 LEU A 37 4.279 -13.999 3.078 1.00 11.21 C ATOM 554 CD2 LEU A 37 3.397 -16.287 2.585 1.00 24.23 C ATOM 0 H LEU A 37 2.129 -15.352 7.132 1.00 31.45 H new ATOM 0 HA LEU A 37 3.699 -13.491 5.828 1.00 53.12 H new ATOM 0 HB2 LEU A 37 3.802 -15.766 5.184 1.00 61.22 H new ATOM 0 HB3 LEU A 37 2.071 -15.872 4.935 1.00 61.22 H new ATOM 0 HG LEU A 37 2.223 -14.537 2.910 1.00 4.02 H new ATOM 0 HD11 LEU A 37 4.406 -13.836 2.008 1.00 11.21 H new ATOM 0 HD12 LEU A 37 4.052 -13.050 3.565 1.00 11.21 H new ATOM 0 HD13 LEU A 37 5.199 -14.409 3.495 1.00 11.21 H new ATOM 0 HD21 LEU A 37 3.537 -16.092 1.522 1.00 24.23 H new ATOM 0 HD22 LEU A 37 4.295 -16.754 2.990 1.00 24.23 H new ATOM 0 HD23 LEU A 37 2.547 -16.955 2.723 1.00 24.23 H new ATOM 566 N MET A 38 0.556 -13.394 4.779 1.00 21.13 N ATOM 567 CA MET A 38 -0.428 -12.547 4.116 1.00 32.03 C ATOM 568 C MET A 38 -0.807 -11.362 4.997 1.00 50.55 C ATOM 569 O MET A 38 -1.227 -10.314 4.502 1.00 4.35 O ATOM 570 CB MET A 38 -1.678 -13.357 3.767 1.00 24.21 C ATOM 571 CG MET A 38 -2.720 -12.565 2.994 1.00 32.10 C ATOM 572 SD MET A 38 -4.352 -12.636 3.756 1.00 11.31 S ATOM 573 CE MET A 38 -4.029 -11.835 5.325 1.00 25.25 C ATOM 0 H MET A 38 0.198 -14.300 5.082 1.00 21.13 H new ATOM 0 HA MET A 38 0.018 -12.167 3.197 1.00 32.03 H new ATOM 0 HB2 MET A 38 -1.385 -14.227 3.179 1.00 24.21 H new ATOM 0 HB3 MET A 38 -2.127 -13.731 4.687 1.00 24.21 H new ATOM 0 HG2 MET A 38 -2.401 -11.525 2.923 1.00 32.10 H new ATOM 0 HG3 MET A 38 -2.782 -12.950 1.976 1.00 32.10 H new ATOM 0 HE1 MET A 38 -4.971 -11.658 5.844 1.00 25.25 H new ATOM 0 HE2 MET A 38 -3.393 -12.475 5.936 1.00 25.25 H new ATOM 0 HE3 MET A 38 -3.526 -10.883 5.151 1.00 25.25 H new ATOM 583 N LYS A 39 -0.658 -11.531 6.306 1.00 12.21 N ATOM 584 CA LYS A 39 -0.983 -10.476 7.258 1.00 75.24 C ATOM 585 C LYS A 39 -0.248 -9.185 6.911 1.00 41.11 C ATOM 586 O LYS A 39 -0.721 -8.089 7.213 1.00 41.33 O ATOM 587 CB LYS A 39 -0.623 -10.913 8.680 1.00 73.54 C ATOM 588 CG LYS A 39 -1.405 -10.181 9.757 1.00 15.23 C ATOM 589 CD LYS A 39 -0.548 -9.913 10.983 1.00 4.42 C ATOM 590 CE LYS A 39 -1.391 -9.819 12.244 1.00 51.24 C ATOM 591 NZ LYS A 39 -1.702 -11.162 12.806 1.00 53.10 N ATOM 0 H LYS A 39 -0.313 -12.391 6.733 1.00 12.21 H new ATOM 0 HA LYS A 39 -2.056 -10.290 7.203 1.00 75.24 H new ATOM 0 HB2 LYS A 39 -0.801 -11.984 8.778 1.00 73.54 H new ATOM 0 HB3 LYS A 39 0.443 -10.751 8.842 1.00 73.54 H new ATOM 0 HG2 LYS A 39 -1.778 -9.237 9.359 1.00 15.23 H new ATOM 0 HG3 LYS A 39 -2.275 -10.773 10.042 1.00 15.23 H new ATOM 0 HD2 LYS A 39 0.188 -10.710 11.095 1.00 4.42 H new ATOM 0 HD3 LYS A 39 0.006 -8.985 10.845 1.00 4.42 H new ATOM 0 HE2 LYS A 39 -0.862 -9.227 12.991 1.00 51.24 H new ATOM 0 HE3 LYS A 39 -2.320 -9.295 12.021 1.00 51.24 H new ATOM 0 HZ1 LYS A 39 -2.278 -11.054 13.665 1.00 53.10 H new ATOM 0 HZ2 LYS A 39 -2.229 -11.719 12.103 1.00 53.10 H new ATOM 0 HZ3 LYS A 39 -0.816 -11.653 13.043 1.00 53.10 H new ATOM 605 N LEU A 40 0.910 -9.322 6.274 1.00 54.12 N ATOM 606 CA LEU A 40 1.710 -8.166 5.884 1.00 12.45 C ATOM 607 C LEU A 40 1.039 -7.397 4.750 1.00 3.35 C ATOM 608 O LEU A 40 1.177 -6.178 4.648 1.00 34.00 O ATOM 609 CB LEU A 40 3.109 -8.611 5.457 1.00 2.02 C ATOM 610 CG LEU A 40 4.122 -8.817 6.584 1.00 60.10 C ATOM 611 CD1 LEU A 40 5.253 -9.724 6.126 1.00 43.21 C ATOM 612 CD2 LEU A 40 4.668 -7.479 7.061 1.00 24.41 C ATOM 0 H LEU A 40 1.316 -10.222 6.017 1.00 54.12 H new ATOM 0 HA LEU A 40 1.794 -7.505 6.746 1.00 12.45 H new ATOM 0 HB2 LEU A 40 3.018 -9.545 4.903 1.00 2.02 H new ATOM 0 HB3 LEU A 40 3.510 -7.868 4.767 1.00 2.02 H new ATOM 0 HG LEU A 40 3.614 -9.298 7.420 1.00 60.10 H new ATOM 0 HD11 LEU A 40 5.964 -9.859 6.941 1.00 43.21 H new ATOM 0 HD12 LEU A 40 4.847 -10.693 5.834 1.00 43.21 H new ATOM 0 HD13 LEU A 40 5.760 -9.271 5.274 1.00 43.21 H new ATOM 0 HD21 LEU A 40 5.387 -7.645 7.863 1.00 24.41 H new ATOM 0 HD22 LEU A 40 5.160 -6.970 6.232 1.00 24.41 H new ATOM 0 HD23 LEU A 40 3.849 -6.862 7.430 1.00 24.41 H new ATOM 624 N CYS A 41 0.314 -8.118 3.902 1.00 53.51 N ATOM 625 CA CYS A 41 -0.380 -7.503 2.776 1.00 0.04 C ATOM 626 C CYS A 41 -1.623 -6.754 3.247 1.00 65.11 C ATOM 627 O CYS A 41 -1.873 -5.624 2.827 1.00 35.14 O ATOM 628 CB CYS A 41 -0.768 -8.567 1.748 1.00 53.15 C ATOM 629 SG CYS A 41 0.569 -9.705 1.322 1.00 13.03 S ATOM 0 H CYS A 41 0.191 -9.128 3.973 1.00 53.51 H new ATOM 0 HA CYS A 41 0.297 -6.787 2.309 1.00 0.04 H new ATOM 0 HB2 CYS A 41 -1.610 -9.141 2.136 1.00 53.15 H new ATOM 0 HB3 CYS A 41 -1.112 -8.071 0.840 1.00 53.15 H new ATOM 0 HG CYS A 41 1.261 -9.213 0.338 1.00 13.03 H new ATOM 635 N GLU A 42 -2.398 -7.391 4.118 1.00 22.34 N ATOM 636 CA GLU A 42 -3.616 -6.785 4.642 1.00 32.53 C ATOM 637 C GLU A 42 -3.314 -5.446 5.307 1.00 34.13 C ATOM 638 O GLU A 42 -4.179 -4.575 5.392 1.00 71.53 O ATOM 639 CB GLU A 42 -4.289 -7.725 5.645 1.00 23.31 C ATOM 640 CG GLU A 42 -5.767 -7.439 5.850 1.00 43.50 C ATOM 641 CD GLU A 42 -6.585 -8.701 6.046 1.00 52.22 C ATOM 642 OE1 GLU A 42 -6.317 -9.435 7.020 1.00 62.03 O ATOM 643 OE2 GLU A 42 -7.491 -8.954 5.226 1.00 54.12 O ATOM 0 H GLU A 42 -2.204 -8.326 4.476 1.00 22.34 H new ATOM 0 HA GLU A 42 -4.294 -6.612 3.806 1.00 32.53 H new ATOM 0 HB2 GLU A 42 -4.171 -8.753 5.303 1.00 23.31 H new ATOM 0 HB3 GLU A 42 -3.776 -7.647 6.604 1.00 23.31 H new ATOM 0 HG2 GLU A 42 -5.891 -6.792 6.718 1.00 43.50 H new ATOM 0 HG3 GLU A 42 -6.150 -6.893 4.988 1.00 43.50 H new ATOM 651 N GLU A 43 -2.081 -5.290 5.779 1.00 22.12 N ATOM 652 CA GLU A 43 -1.666 -4.058 6.438 1.00 35.01 C ATOM 653 C GLU A 43 -1.926 -2.849 5.545 1.00 42.35 C ATOM 654 O GLU A 43 -2.248 -1.764 6.028 1.00 1.44 O ATOM 655 CB GLU A 43 -0.182 -4.125 6.806 1.00 31.31 C ATOM 656 CG GLU A 43 0.118 -5.070 7.957 1.00 44.23 C ATOM 657 CD GLU A 43 0.088 -4.375 9.305 1.00 24.25 C ATOM 658 OE1 GLU A 43 -1.002 -3.929 9.718 1.00 41.13 O ATOM 659 OE2 GLU A 43 1.156 -4.278 9.946 1.00 43.44 O ATOM 0 H GLU A 43 -1.353 -6.001 5.717 1.00 22.12 H new ATOM 0 HA GLU A 43 -2.254 -3.948 7.349 1.00 35.01 H new ATOM 0 HB2 GLU A 43 0.387 -4.440 5.931 1.00 31.31 H new ATOM 0 HB3 GLU A 43 0.164 -3.125 7.068 1.00 31.31 H new ATOM 0 HG2 GLU A 43 -0.609 -5.882 7.955 1.00 44.23 H new ATOM 0 HG3 GLU A 43 1.099 -5.520 7.806 1.00 44.23 H new ATOM 667 N ALA A 44 -1.783 -3.044 4.238 1.00 72.41 N ATOM 668 CA ALA A 44 -2.004 -1.972 3.276 1.00 42.02 C ATOM 669 C ALA A 44 -3.357 -1.303 3.500 1.00 2.43 C ATOM 670 O ALA A 44 -3.472 -0.080 3.438 1.00 44.03 O ATOM 671 CB ALA A 44 -1.907 -2.508 1.855 1.00 12.10 C ATOM 0 H ALA A 44 -1.515 -3.936 3.821 1.00 72.41 H new ATOM 0 HA ALA A 44 -1.228 -1.221 3.423 1.00 42.02 H new ATOM 0 HB1 ALA A 44 -2.074 -1.696 1.148 1.00 12.10 H new ATOM 0 HB2 ALA A 44 -0.916 -2.932 1.693 1.00 12.10 H new ATOM 0 HB3 ALA A 44 -2.661 -3.281 1.705 1.00 12.10 H new ATOM 677 N ALA A 45 -4.376 -2.115 3.760 1.00 51.44 N ATOM 678 CA ALA A 45 -5.720 -1.600 3.994 1.00 33.22 C ATOM 679 C ALA A 45 -5.835 -0.976 5.381 1.00 63.33 C ATOM 680 O ALA A 45 -6.706 -0.141 5.626 1.00 12.31 O ATOM 681 CB ALA A 45 -6.747 -2.711 3.826 1.00 0.42 C ATOM 0 H ALA A 45 -4.297 -3.131 3.814 1.00 51.44 H new ATOM 0 HA ALA A 45 -5.918 -0.822 3.257 1.00 33.22 H new ATOM 0 HB1 ALA A 45 -7.746 -2.313 4.003 1.00 0.42 H new ATOM 0 HB2 ALA A 45 -6.690 -3.109 2.813 1.00 0.42 H new ATOM 0 HB3 ALA A 45 -6.542 -3.508 4.541 1.00 0.42 H new ATOM 687 N LYS A 46 -4.953 -1.388 6.285 1.00 42.34 N ATOM 688 CA LYS A 46 -4.954 -0.869 7.647 1.00 41.21 C ATOM 689 C LYS A 46 -4.393 0.550 7.690 1.00 12.04 C ATOM 690 O LYS A 46 -4.982 1.443 8.299 1.00 2.32 O ATOM 691 CB LYS A 46 -4.135 -1.781 8.563 1.00 64.00 C ATOM 692 CG LYS A 46 -4.972 -2.520 9.592 1.00 52.02 C ATOM 693 CD LYS A 46 -4.676 -2.039 11.003 1.00 71.11 C ATOM 694 CE LYS A 46 -4.968 -3.118 12.033 1.00 1.13 C ATOM 695 NZ LYS A 46 -3.756 -3.474 12.823 1.00 63.34 N ATOM 0 H LYS A 46 -4.228 -2.081 6.099 1.00 42.34 H new ATOM 0 HA LYS A 46 -5.986 -0.843 7.998 1.00 41.21 H new ATOM 0 HB2 LYS A 46 -3.599 -2.508 7.953 1.00 64.00 H new ATOM 0 HB3 LYS A 46 -3.384 -1.183 9.079 1.00 64.00 H new ATOM 0 HG2 LYS A 46 -6.030 -2.376 9.372 1.00 52.02 H new ATOM 0 HG3 LYS A 46 -4.774 -3.590 9.523 1.00 52.02 H new ATOM 0 HD2 LYS A 46 -3.630 -1.740 11.075 1.00 71.11 H new ATOM 0 HD3 LYS A 46 -5.276 -1.155 11.220 1.00 71.11 H new ATOM 0 HE2 LYS A 46 -5.753 -2.774 12.707 1.00 1.13 H new ATOM 0 HE3 LYS A 46 -5.348 -4.007 11.530 1.00 1.13 H new ATOM 0 HZ1 LYS A 46 -3.997 -4.213 13.514 1.00 63.34 H new ATOM 0 HZ2 LYS A 46 -3.016 -3.826 12.183 1.00 63.34 H new ATOM 0 HZ3 LYS A 46 -3.408 -2.631 13.324 1.00 63.34 H new ATOM 709 N LYS A 47 -3.252 0.749 7.040 1.00 22.12 N ATOM 710 CA LYS A 47 -2.611 2.058 7.001 1.00 61.53 C ATOM 711 C LYS A 47 -3.532 3.095 6.365 1.00 10.42 C ATOM 712 O LYS A 47 -3.850 4.115 6.977 1.00 33.03 O ATOM 713 CB LYS A 47 -1.297 1.983 6.222 1.00 23.13 C ATOM 714 CG LYS A 47 -0.102 1.606 7.080 1.00 13.44 C ATOM 715 CD LYS A 47 -0.052 0.110 7.342 1.00 22.10 C ATOM 716 CE LYS A 47 0.750 -0.211 8.593 1.00 2.02 C ATOM 717 NZ LYS A 47 0.032 0.197 9.833 1.00 63.43 N ATOM 0 H LYS A 47 -2.751 0.020 6.532 1.00 22.12 H new ATOM 0 HA LYS A 47 -2.401 2.363 8.026 1.00 61.53 H new ATOM 0 HB2 LYS A 47 -1.402 1.253 5.419 1.00 23.13 H new ATOM 0 HB3 LYS A 47 -1.107 2.948 5.753 1.00 23.13 H new ATOM 0 HG2 LYS A 47 0.816 1.920 6.584 1.00 13.44 H new ATOM 0 HG3 LYS A 47 -0.151 2.141 8.029 1.00 13.44 H new ATOM 0 HD2 LYS A 47 -1.066 -0.275 7.450 1.00 22.10 H new ATOM 0 HD3 LYS A 47 0.392 -0.396 6.484 1.00 22.10 H new ATOM 0 HE2 LYS A 47 0.956 -1.281 8.628 1.00 2.02 H new ATOM 0 HE3 LYS A 47 1.713 0.297 8.547 1.00 2.02 H new ATOM 0 HZ1 LYS A 47 0.455 -0.283 10.653 1.00 63.43 H new ATOM 0 HZ2 LYS A 47 0.109 1.227 9.956 1.00 63.43 H new ATOM 0 HZ3 LYS A 47 -0.971 -0.068 9.757 1.00 63.43 H new ATOM 731 N ALA A 48 -3.958 2.828 5.135 1.00 24.15 N ATOM 732 CA ALA A 48 -4.845 3.736 4.418 1.00 43.30 C ATOM 733 C ALA A 48 -6.066 4.088 5.261 1.00 64.31 C ATOM 734 O ALA A 48 -6.573 5.207 5.197 1.00 70.31 O ATOM 735 CB ALA A 48 -5.272 3.120 3.094 1.00 54.35 C ATOM 0 H ALA A 48 -3.703 1.989 4.614 1.00 24.15 H new ATOM 0 HA ALA A 48 -4.298 4.657 4.216 1.00 43.30 H new ATOM 0 HB1 ALA A 48 -5.934 3.809 2.569 1.00 54.35 H new ATOM 0 HB2 ALA A 48 -4.391 2.926 2.482 1.00 54.35 H new ATOM 0 HB3 ALA A 48 -5.797 2.183 3.281 1.00 54.35 H new ATOM 741 N GLU A 49 -6.534 3.124 6.047 1.00 11.31 N ATOM 742 CA GLU A 49 -7.698 3.333 6.900 1.00 30.31 C ATOM 743 C GLU A 49 -7.406 4.378 7.973 1.00 1.13 C ATOM 744 O GLU A 49 -8.223 5.259 8.234 1.00 52.33 O ATOM 745 CB GLU A 49 -8.121 2.017 7.556 1.00 24.33 C ATOM 746 CG GLU A 49 -9.214 2.179 8.598 1.00 54.12 C ATOM 747 CD GLU A 49 -10.213 1.039 8.578 1.00 53.22 C ATOM 748 OE1 GLU A 49 -10.612 0.619 7.471 1.00 53.33 O ATOM 749 OE2 GLU A 49 -10.598 0.567 9.668 1.00 40.10 O ATOM 0 H GLU A 49 -6.126 2.192 6.111 1.00 11.31 H new ATOM 0 HA GLU A 49 -8.513 3.697 6.275 1.00 30.31 H new ATOM 0 HB2 GLU A 49 -8.467 1.330 6.783 1.00 24.33 H new ATOM 0 HB3 GLU A 49 -7.250 1.558 8.024 1.00 24.33 H new ATOM 0 HG2 GLU A 49 -8.761 2.243 9.587 1.00 54.12 H new ATOM 0 HG3 GLU A 49 -9.738 3.119 8.426 1.00 54.12 H new ATOM 757 N GLU A 50 -6.234 4.270 8.592 1.00 4.24 N ATOM 758 CA GLU A 50 -5.834 5.204 9.638 1.00 72.30 C ATOM 759 C GLU A 50 -5.450 6.556 9.043 1.00 70.40 C ATOM 760 O GLU A 50 -5.696 7.604 9.642 1.00 32.34 O ATOM 761 CB GLU A 50 -4.661 4.635 10.440 1.00 42.25 C ATOM 762 CG GLU A 50 -5.088 3.838 11.660 1.00 71.51 C ATOM 763 CD GLU A 50 -5.931 4.650 12.623 1.00 24.13 C ATOM 764 OE1 GLU A 50 -5.676 5.866 12.753 1.00 32.24 O ATOM 765 OE2 GLU A 50 -6.845 4.072 13.247 1.00 4.13 O ATOM 0 H GLU A 50 -5.546 3.546 8.387 1.00 4.24 H new ATOM 0 HA GLU A 50 -6.684 5.348 10.305 1.00 72.30 H new ATOM 0 HB2 GLU A 50 -4.063 3.996 9.790 1.00 42.25 H new ATOM 0 HB3 GLU A 50 -4.018 5.455 10.759 1.00 42.25 H new ATOM 0 HG2 GLU A 50 -5.653 2.963 11.338 1.00 71.51 H new ATOM 0 HG3 GLU A 50 -4.202 3.472 12.179 1.00 71.51 H new ATOM 773 N LEU A 51 -4.845 6.524 7.860 1.00 55.51 N ATOM 774 CA LEU A 51 -4.425 7.746 7.182 1.00 73.23 C ATOM 775 C LEU A 51 -5.630 8.504 6.632 1.00 62.31 C ATOM 776 O LEU A 51 -5.640 9.734 6.599 1.00 20.03 O ATOM 777 CB LEU A 51 -3.454 7.416 6.048 1.00 32.42 C ATOM 778 CG LEU A 51 -1.989 7.241 6.448 1.00 12.34 C ATOM 779 CD1 LEU A 51 -1.268 6.342 5.457 1.00 21.21 C ATOM 780 CD2 LEU A 51 -1.298 8.593 6.546 1.00 42.25 C ATOM 0 H LEU A 51 -4.634 5.666 7.351 1.00 55.51 H new ATOM 0 HA LEU A 51 -3.920 8.381 7.910 1.00 73.23 H new ATOM 0 HB2 LEU A 51 -3.790 6.499 5.565 1.00 32.42 H new ATOM 0 HB3 LEU A 51 -3.514 8.209 5.303 1.00 32.42 H new ATOM 0 HG LEU A 51 -1.955 6.766 7.428 1.00 12.34 H new ATOM 0 HD11 LEU A 51 -0.227 6.230 5.759 1.00 21.21 H new ATOM 0 HD12 LEU A 51 -1.748 5.364 5.437 1.00 21.21 H new ATOM 0 HD13 LEU A 51 -1.312 6.787 4.463 1.00 21.21 H new ATOM 0 HD21 LEU A 51 -0.256 8.449 6.832 1.00 42.25 H new ATOM 0 HD22 LEU A 51 -1.343 9.096 5.580 1.00 42.25 H new ATOM 0 HD23 LEU A 51 -1.799 9.204 7.297 1.00 42.25 H new ATOM 792 N PHE A 52 -6.643 7.760 6.201 1.00 54.24 N ATOM 793 CA PHE A 52 -7.854 8.362 5.653 1.00 31.11 C ATOM 794 C PHE A 52 -8.472 9.342 6.646 1.00 62.21 C ATOM 795 O PHE A 52 -9.142 10.298 6.257 1.00 40.05 O ATOM 796 CB PHE A 52 -8.869 7.276 5.292 1.00 61.15 C ATOM 797 CG PHE A 52 -10.204 7.821 4.869 1.00 15.21 C ATOM 798 CD1 PHE A 52 -10.387 8.334 3.596 1.00 75.20 C ATOM 799 CD2 PHE A 52 -11.276 7.821 5.747 1.00 13.22 C ATOM 800 CE1 PHE A 52 -11.614 8.836 3.204 1.00 51.12 C ATOM 801 CE2 PHE A 52 -12.505 8.320 5.362 1.00 53.33 C ATOM 802 CZ PHE A 52 -12.675 8.830 4.089 1.00 43.22 C ATOM 0 H PHE A 52 -6.650 6.740 6.220 1.00 54.24 H new ATOM 0 HA PHE A 52 -7.582 8.910 4.751 1.00 31.11 H new ATOM 0 HB2 PHE A 52 -8.463 6.664 4.486 1.00 61.15 H new ATOM 0 HB3 PHE A 52 -9.009 6.620 6.151 1.00 61.15 H new ATOM 0 HD1 PHE A 52 -9.561 8.342 2.901 1.00 75.20 H new ATOM 0 HD2 PHE A 52 -11.149 7.426 6.744 1.00 13.22 H new ATOM 0 HE1 PHE A 52 -11.743 9.232 2.208 1.00 51.12 H new ATOM 0 HE2 PHE A 52 -13.333 8.312 6.056 1.00 53.33 H new ATOM 0 HZ PHE A 52 -13.635 9.223 3.787 1.00 43.22 H new ATOM 812 N LYS A 53 -8.242 9.097 7.931 1.00 1.23 N ATOM 813 CA LYS A 53 -8.774 9.957 8.981 1.00 1.52 C ATOM 814 C LYS A 53 -8.390 11.413 8.740 1.00 4.30 C ATOM 815 O LYS A 53 -9.229 12.310 8.830 1.00 41.31 O ATOM 816 CB LYS A 53 -8.259 9.503 10.350 1.00 0.11 C ATOM 817 CG LYS A 53 -9.356 9.326 11.385 1.00 71.24 C ATOM 818 CD LYS A 53 -10.278 10.533 11.431 1.00 74.23 C ATOM 819 CE LYS A 53 -10.537 10.983 12.861 1.00 21.34 C ATOM 820 NZ LYS A 53 -9.323 11.580 13.483 1.00 3.12 N ATOM 0 H LYS A 53 -7.690 8.309 8.271 1.00 1.23 H new ATOM 0 HA LYS A 53 -9.861 9.879 8.963 1.00 1.52 H new ATOM 0 HB2 LYS A 53 -7.726 8.560 10.233 1.00 0.11 H new ATOM 0 HB3 LYS A 53 -7.538 10.233 10.718 1.00 0.11 H new ATOM 0 HG2 LYS A 53 -9.936 8.433 11.153 1.00 71.24 H new ATOM 0 HG3 LYS A 53 -8.909 9.170 12.367 1.00 71.24 H new ATOM 0 HD2 LYS A 53 -9.835 11.352 10.865 1.00 74.23 H new ATOM 0 HD3 LYS A 53 -11.224 10.288 10.949 1.00 74.23 H new ATOM 0 HE2 LYS A 53 -11.346 11.713 12.871 1.00 21.34 H new ATOM 0 HE3 LYS A 53 -10.868 10.131 13.455 1.00 21.34 H new ATOM 0 HZ1 LYS A 53 -9.593 12.098 14.344 1.00 3.12 H new ATOM 0 HZ2 LYS A 53 -8.652 10.825 13.729 1.00 3.12 H new ATOM 0 HZ3 LYS A 53 -8.875 12.235 12.811 1.00 3.12 H new ATOM 834 N LEU A 54 -7.118 11.641 8.430 1.00 40.42 N ATOM 835 CA LEU A 54 -6.623 12.990 8.173 1.00 32.41 C ATOM 836 C LEU A 54 -7.139 13.513 6.836 1.00 45.00 C ATOM 837 O LEU A 54 -7.315 14.717 6.656 1.00 62.33 O ATOM 838 CB LEU A 54 -5.094 13.003 8.185 1.00 44.53 C ATOM 839 CG LEU A 54 -4.437 13.591 9.434 1.00 54.34 C ATOM 840 CD1 LEU A 54 -4.905 15.022 9.660 1.00 21.54 C ATOM 841 CD2 LEU A 54 -4.742 12.731 10.652 1.00 20.41 C ATOM 0 H LEU A 54 -6.411 10.910 8.351 1.00 40.42 H new ATOM 0 HA LEU A 54 -6.991 13.644 8.964 1.00 32.41 H new ATOM 0 HB2 LEU A 54 -4.741 11.979 8.061 1.00 44.53 H new ATOM 0 HB3 LEU A 54 -4.749 13.566 7.318 1.00 44.53 H new ATOM 0 HG LEU A 54 -3.358 13.602 9.282 1.00 54.34 H new ATOM 0 HD11 LEU A 54 -4.427 15.424 10.553 1.00 21.54 H new ATOM 0 HD12 LEU A 54 -4.636 15.633 8.798 1.00 21.54 H new ATOM 0 HD13 LEU A 54 -5.987 15.035 9.791 1.00 21.54 H new ATOM 0 HD21 LEU A 54 -4.266 13.164 11.532 1.00 20.41 H new ATOM 0 HD22 LEU A 54 -5.820 12.688 10.806 1.00 20.41 H new ATOM 0 HD23 LEU A 54 -4.358 11.724 10.491 1.00 20.41 H new ATOM 853 N ALA A 55 -7.379 12.598 5.902 1.00 50.32 N ATOM 854 CA ALA A 55 -7.878 12.967 4.583 1.00 63.11 C ATOM 855 C ALA A 55 -9.149 13.802 4.690 1.00 44.23 C ATOM 856 O ALA A 55 -9.435 14.627 3.822 1.00 75.51 O ATOM 857 CB ALA A 55 -8.133 11.720 3.748 1.00 64.24 C ATOM 0 H ALA A 55 -7.236 11.597 6.034 1.00 50.32 H new ATOM 0 HA ALA A 55 -7.117 13.573 4.091 1.00 63.11 H new ATOM 0 HB1 ALA A 55 -8.505 12.010 2.765 1.00 64.24 H new ATOM 0 HB2 ALA A 55 -7.203 11.162 3.634 1.00 64.24 H new ATOM 0 HB3 ALA A 55 -8.873 11.094 4.246 1.00 64.24 H new ATOM 863 N GLU A 56 -9.907 13.584 5.760 1.00 63.33 N ATOM 864 CA GLU A 56 -11.148 14.316 5.978 1.00 54.34 C ATOM 865 C GLU A 56 -10.865 15.728 6.484 1.00 42.43 C ATOM 866 O GLU A 56 -11.619 16.661 6.206 1.00 2.23 O ATOM 867 CB GLU A 56 -12.037 13.574 6.979 1.00 41.31 C ATOM 868 CG GLU A 56 -11.991 12.063 6.827 1.00 14.53 C ATOM 869 CD GLU A 56 -12.306 11.608 5.416 1.00 63.31 C ATOM 870 OE1 GLU A 56 -13.505 11.479 5.088 1.00 30.04 O ATOM 871 OE2 GLU A 56 -11.355 11.381 4.638 1.00 52.54 O ATOM 0 H GLU A 56 -9.683 12.907 6.489 1.00 63.33 H new ATOM 0 HA GLU A 56 -11.669 14.387 5.023 1.00 54.34 H new ATOM 0 HB2 GLU A 56 -11.730 13.839 7.991 1.00 41.31 H new ATOM 0 HB3 GLU A 56 -13.066 13.912 6.859 1.00 41.31 H new ATOM 0 HG2 GLU A 56 -11.001 11.704 7.108 1.00 14.53 H new ATOM 0 HG3 GLU A 56 -12.702 11.610 7.518 1.00 14.53 H new ATOM 879 N GLU A 57 -9.774 15.876 7.228 1.00 0.44 N ATOM 880 CA GLU A 57 -9.392 17.173 7.773 1.00 1.42 C ATOM 881 C GLU A 57 -9.141 18.182 6.655 1.00 74.21 C ATOM 882 O GLU A 57 -9.588 19.327 6.727 1.00 32.55 O ATOM 883 CB GLU A 57 -8.139 17.037 8.641 1.00 53.52 C ATOM 884 CG GLU A 57 -7.577 18.369 9.111 1.00 4.33 C ATOM 885 CD GLU A 57 -7.378 18.422 10.613 1.00 13.54 C ATOM 886 OE1 GLU A 57 -8.295 17.996 11.348 1.00 63.15 O ATOM 887 OE2 GLU A 57 -6.307 18.887 11.055 1.00 51.24 O ATOM 0 H GLU A 57 -9.139 15.114 7.467 1.00 0.44 H new ATOM 0 HA GLU A 57 -10.215 17.536 8.388 1.00 1.42 H new ATOM 0 HB2 GLU A 57 -8.375 16.424 9.511 1.00 53.52 H new ATOM 0 HB3 GLU A 57 -7.372 16.507 8.076 1.00 53.52 H new ATOM 0 HG2 GLU A 57 -6.623 18.552 8.615 1.00 4.33 H new ATOM 0 HG3 GLU A 57 -8.252 19.170 8.809 1.00 4.33 H new ATOM 895 N ARG A 58 -8.425 17.747 5.624 1.00 43.24 N ATOM 896 CA ARG A 58 -8.114 18.611 4.492 1.00 42.52 C ATOM 897 C ARG A 58 -9.305 18.716 3.544 1.00 71.11 C ATOM 898 O ARG A 58 -9.451 19.700 2.819 1.00 63.24 O ATOM 899 CB ARG A 58 -6.894 18.080 3.737 1.00 13.13 C ATOM 900 CG ARG A 58 -5.611 18.116 4.553 1.00 63.34 C ATOM 901 CD ARG A 58 -5.364 16.794 5.261 1.00 13.43 C ATOM 902 NE ARG A 58 -4.930 16.987 6.643 1.00 33.41 N ATOM 903 CZ ARG A 58 -3.749 17.494 6.978 1.00 70.23 C ATOM 904 NH1 ARG A 58 -2.889 17.858 6.037 1.00 4.11 N ATOM 905 NH2 ARG A 58 -3.426 17.639 8.257 1.00 73.21 N ATOM 0 H ARG A 58 -8.049 16.802 5.549 1.00 43.24 H new ATOM 0 HA ARG A 58 -7.890 19.605 4.878 1.00 42.52 H new ATOM 0 HB2 ARG A 58 -7.088 17.054 3.425 1.00 13.13 H new ATOM 0 HB3 ARG A 58 -6.754 18.668 2.830 1.00 13.13 H new ATOM 0 HG2 ARG A 58 -4.769 18.343 3.899 1.00 63.34 H new ATOM 0 HG3 ARG A 58 -5.669 18.919 5.288 1.00 63.34 H new ATOM 0 HD2 ARG A 58 -6.277 16.199 5.247 1.00 13.43 H new ATOM 0 HD3 ARG A 58 -4.607 16.228 4.719 1.00 13.43 H new ATOM 0 HE ARG A 58 -5.569 16.718 7.391 1.00 33.41 H new ATOM 0 HH11 ARG A 58 -3.134 17.749 5.053 1.00 4.11 H new ATOM 0 HH12 ARG A 58 -1.983 18.247 6.297 1.00 4.11 H new ATOM 0 HH21 ARG A 58 -4.085 17.361 8.984 1.00 73.21 H new ATOM 0 HH22 ARG A 58 -2.519 18.028 8.513 1.00 73.21 H new ATOM 919 N LEU A 59 -10.154 17.694 3.556 1.00 54.14 N ATOM 920 CA LEU A 59 -11.334 17.670 2.697 1.00 2.00 C ATOM 921 C LEU A 59 -12.490 18.431 3.338 1.00 43.10 C ATOM 922 O LEU A 59 -12.828 19.538 2.918 1.00 43.21 O ATOM 923 CB LEU A 59 -11.753 16.227 2.413 1.00 13.13 C ATOM 924 CG LEU A 59 -12.856 16.040 1.371 1.00 44.22 C ATOM 925 CD1 LEU A 59 -14.219 16.336 1.977 1.00 31.32 C ATOM 926 CD2 LEU A 59 -12.604 16.931 0.163 1.00 53.42 C ATOM 0 H LEU A 59 -10.048 16.872 4.150 1.00 54.14 H new ATOM 0 HA LEU A 59 -11.079 18.159 1.757 1.00 2.00 H new ATOM 0 HB2 LEU A 59 -10.874 15.673 2.085 1.00 13.13 H new ATOM 0 HB3 LEU A 59 -12.084 15.775 3.348 1.00 13.13 H new ATOM 0 HG LEU A 59 -12.845 15.001 1.041 1.00 44.22 H new ATOM 0 HD11 LEU A 59 -14.991 16.198 1.220 1.00 31.32 H new ATOM 0 HD12 LEU A 59 -14.402 15.658 2.810 1.00 31.32 H new ATOM 0 HD13 LEU A 59 -14.242 17.365 2.335 1.00 31.32 H new ATOM 0 HD21 LEU A 59 -13.399 16.785 -0.569 1.00 53.42 H new ATOM 0 HD22 LEU A 59 -12.587 17.974 0.478 1.00 53.42 H new ATOM 0 HD23 LEU A 59 -11.645 16.672 -0.286 1.00 53.42 H new ATOM 938 N LYS A 60 -13.092 17.831 4.359 1.00 15.51 N ATOM 939 CA LYS A 60 -14.209 18.452 5.063 1.00 44.10 C ATOM 940 C LYS A 60 -13.758 19.022 6.404 1.00 4.00 C ATOM 941 O LYS A 60 -12.569 19.011 6.727 1.00 32.32 O ATOM 942 CB LYS A 60 -15.331 17.435 5.280 1.00 3.41 C ATOM 943 CG LYS A 60 -14.871 16.162 5.970 1.00 75.15 C ATOM 944 CD LYS A 60 -15.160 14.934 5.124 1.00 64.32 C ATOM 945 CE LYS A 60 -15.643 13.770 5.974 1.00 14.14 C ATOM 946 NZ LYS A 60 -17.113 13.823 6.204 1.00 21.11 N ATOM 0 H LYS A 60 -12.825 16.914 4.718 1.00 15.51 H new ATOM 0 HA LYS A 60 -14.583 19.270 4.448 1.00 44.10 H new ATOM 0 HB2 LYS A 60 -16.119 17.897 5.875 1.00 3.41 H new ATOM 0 HB3 LYS A 60 -15.769 17.178 4.316 1.00 3.41 H new ATOM 0 HG2 LYS A 60 -13.802 16.222 6.172 1.00 75.15 H new ATOM 0 HG3 LYS A 60 -15.372 16.068 6.933 1.00 75.15 H new ATOM 0 HD2 LYS A 60 -15.914 15.176 4.376 1.00 64.32 H new ATOM 0 HD3 LYS A 60 -14.259 14.642 4.585 1.00 64.32 H new ATOM 0 HE2 LYS A 60 -15.386 12.831 5.484 1.00 14.14 H new ATOM 0 HE3 LYS A 60 -15.125 13.781 6.933 1.00 14.14 H new ATOM 0 HZ1 LYS A 60 -17.403 13.012 6.788 1.00 21.11 H new ATOM 0 HZ2 LYS A 60 -17.356 14.707 6.695 1.00 21.11 H new ATOM 0 HZ3 LYS A 60 -17.609 13.787 5.291 1.00 21.11 H new ATOM 960 N LYS A 61 -14.713 19.519 7.181 1.00 55.31 N ATOM 961 CA LYS A 61 -14.415 20.091 8.489 1.00 52.54 C ATOM 962 C LYS A 61 -14.687 19.081 9.600 1.00 23.11 C ATOM 963 O LYS A 61 -14.094 19.154 10.678 1.00 64.31 O ATOM 964 CB LYS A 61 -15.250 21.353 8.719 1.00 41.33 C ATOM 965 CG LYS A 61 -14.655 22.296 9.750 1.00 41.25 C ATOM 966 CD LYS A 61 -15.170 23.715 9.571 1.00 74.53 C ATOM 967 CE LYS A 61 -16.076 24.129 10.722 1.00 25.53 C ATOM 968 NZ LYS A 61 -16.731 25.441 10.468 1.00 24.01 N ATOM 0 H LYS A 61 -15.701 19.538 6.928 1.00 55.31 H new ATOM 0 HA LYS A 61 -13.357 20.353 8.510 1.00 52.54 H new ATOM 0 HB2 LYS A 61 -15.359 21.884 7.773 1.00 41.33 H new ATOM 0 HB3 LYS A 61 -16.251 21.063 9.039 1.00 41.33 H new ATOM 0 HG2 LYS A 61 -14.900 21.943 10.752 1.00 41.25 H new ATOM 0 HG3 LYS A 61 -13.568 22.289 9.666 1.00 41.25 H new ATOM 0 HD2 LYS A 61 -14.327 24.403 9.504 1.00 74.53 H new ATOM 0 HD3 LYS A 61 -15.717 23.789 8.631 1.00 74.53 H new ATOM 0 HE2 LYS A 61 -16.839 23.366 10.876 1.00 25.53 H new ATOM 0 HE3 LYS A 61 -15.493 24.186 11.641 1.00 25.53 H new ATOM 0 HZ1 LYS A 61 -17.339 25.687 11.275 1.00 24.01 H new ATOM 0 HZ2 LYS A 61 -16.004 26.174 10.346 1.00 24.01 H new ATOM 0 HZ3 LYS A 61 -17.308 25.379 9.605 1.00 24.01 H new ATOM 982 N LEU A 62 -15.583 18.139 9.330 1.00 73.20 N ATOM 983 CA LEU A 62 -15.932 17.112 10.306 1.00 4.11 C ATOM 984 C LEU A 62 -16.567 17.733 11.546 1.00 74.05 C ATOM 985 O LEU A 62 -16.860 17.011 12.497 1.00 53.23 O ATOM 986 CB LEU A 62 -14.688 16.314 10.701 1.00 34.02 C ATOM 987 CG LEU A 62 -14.716 14.821 10.370 1.00 63.13 C ATOM 988 CD1 LEU A 62 -13.323 14.222 10.489 1.00 40.04 C ATOM 989 CD2 LEU A 62 -15.692 14.090 11.280 1.00 14.21 C ATOM 0 H LEU A 62 -16.082 18.065 8.443 1.00 73.20 H new ATOM 0 HA LEU A 62 -16.657 16.440 9.847 1.00 4.11 H new ATOM 0 HB2 LEU A 62 -13.824 16.759 10.208 1.00 34.02 H new ATOM 0 HB3 LEU A 62 -14.535 16.425 11.774 1.00 34.02 H new ATOM 0 HG LEU A 62 -15.054 14.703 9.340 1.00 63.13 H new ATOM 0 HD11 LEU A 62 -13.362 13.159 10.250 1.00 40.04 H new ATOM 0 HD12 LEU A 62 -12.650 14.725 9.795 1.00 40.04 H new ATOM 0 HD13 LEU A 62 -12.957 14.351 11.508 1.00 40.04 H new ATOM 0 HD21 LEU A 62 -15.698 13.029 11.030 1.00 14.21 H new ATOM 0 HD22 LEU A 62 -15.385 14.216 12.318 1.00 14.21 H new ATOM 0 HD23 LEU A 62 -16.693 14.501 11.145 1.00 14.21 H new ATOM 1002 N MET B 1 13.983 -16.398 -11.320 1.00 33.33 N ATOM 1003 CA MET B 1 12.744 -16.635 -12.053 1.00 43.01 C ATOM 1004 C MET B 1 12.437 -18.127 -12.133 1.00 74.42 C ATOM 1005 O MET B 1 13.335 -18.948 -12.317 1.00 64.41 O ATOM 1006 CB MET B 1 12.840 -16.046 -13.462 1.00 61.23 C ATOM 1007 CG MET B 1 11.537 -16.120 -14.241 1.00 64.52 C ATOM 1008 SD MET B 1 11.773 -15.883 -16.013 1.00 35.14 S ATOM 1009 CE MET B 1 11.667 -17.574 -16.597 1.00 1.02 C ATOM 0 H1 MET B 1 14.005 -15.414 -10.984 1.00 33.33 H new ATOM 0 H2 MET B 1 14.034 -17.043 -10.506 1.00 33.33 H new ATOM 0 H3 MET B 1 14.795 -16.568 -11.947 1.00 33.33 H new ATOM 0 HA MET B 1 11.933 -16.143 -11.516 1.00 43.01 H new ATOM 0 HB2 MET B 1 13.153 -15.004 -13.391 1.00 61.23 H new ATOM 0 HB3 MET B 1 13.616 -16.575 -14.016 1.00 61.23 H new ATOM 0 HG2 MET B 1 11.069 -17.089 -14.067 1.00 64.52 H new ATOM 0 HG3 MET B 1 10.850 -15.362 -13.865 1.00 64.52 H new ATOM 0 HE1 MET B 1 11.794 -17.594 -17.679 1.00 1.02 H new ATOM 0 HE2 MET B 1 12.450 -18.170 -16.129 1.00 1.02 H new ATOM 0 HE3 MET B 1 10.692 -17.988 -16.339 1.00 1.02 H new ATOM 1019 N LYS B 2 11.161 -18.471 -11.993 1.00 33.31 N ATOM 1020 CA LYS B 2 10.734 -19.865 -12.050 1.00 54.34 C ATOM 1021 C LYS B 2 9.852 -20.113 -13.269 1.00 24.51 C ATOM 1022 O LYS B 2 10.288 -20.718 -14.250 1.00 71.03 O ATOM 1023 CB LYS B 2 9.975 -20.240 -10.775 1.00 54.44 C ATOM 1024 CG LYS B 2 9.305 -21.601 -10.843 1.00 1.01 C ATOM 1025 CD LYS B 2 10.322 -22.713 -11.041 1.00 41.23 C ATOM 1026 CE LYS B 2 10.060 -23.485 -12.325 1.00 0.21 C ATOM 1027 NZ LYS B 2 8.910 -24.420 -12.185 1.00 74.33 N ATOM 0 H LYS B 2 10.405 -17.804 -11.839 1.00 33.31 H new ATOM 0 HA LYS B 2 11.624 -20.489 -12.133 1.00 54.34 H new ATOM 0 HB2 LYS B 2 10.667 -20.227 -9.933 1.00 54.44 H new ATOM 0 HB3 LYS B 2 9.218 -19.481 -10.577 1.00 54.44 H new ATOM 0 HG2 LYS B 2 8.745 -21.778 -9.925 1.00 1.01 H new ATOM 0 HG3 LYS B 2 8.586 -21.613 -11.663 1.00 1.01 H new ATOM 0 HD2 LYS B 2 11.326 -22.289 -11.068 1.00 41.23 H new ATOM 0 HD3 LYS B 2 10.287 -23.395 -10.191 1.00 41.23 H new ATOM 0 HE2 LYS B 2 9.862 -22.784 -13.136 1.00 0.21 H new ATOM 0 HE3 LYS B 2 10.953 -24.046 -12.600 1.00 0.21 H new ATOM 0 HZ1 LYS B 2 8.764 -24.927 -13.081 1.00 74.33 H new ATOM 0 HZ2 LYS B 2 9.110 -25.105 -11.428 1.00 74.33 H new ATOM 0 HZ3 LYS B 2 8.052 -23.882 -11.948 1.00 74.33 H new ATOM 1041 N LYS B 3 8.612 -19.642 -13.204 1.00 31.32 N ATOM 1042 CA LYS B 3 7.669 -19.811 -14.304 1.00 23.33 C ATOM 1043 C LYS B 3 6.737 -18.609 -14.411 1.00 61.04 C ATOM 1044 O LYS B 3 6.882 -17.777 -15.308 1.00 75.12 O ATOM 1045 CB LYS B 3 6.851 -21.089 -14.109 1.00 73.44 C ATOM 1046 CG LYS B 3 7.373 -22.274 -14.904 1.00 40.02 C ATOM 1047 CD LYS B 3 6.239 -23.118 -15.458 1.00 72.21 C ATOM 1048 CE LYS B 3 5.652 -24.032 -14.392 1.00 65.41 C ATOM 1049 NZ LYS B 3 4.245 -23.671 -14.064 1.00 24.43 N ATOM 0 H LYS B 3 8.236 -19.139 -12.400 1.00 31.32 H new ATOM 0 HA LYS B 3 8.239 -19.890 -15.230 1.00 23.33 H new ATOM 0 HB2 LYS B 3 6.844 -21.348 -13.050 1.00 73.44 H new ATOM 0 HB3 LYS B 3 5.818 -20.896 -14.397 1.00 73.44 H new ATOM 0 HG2 LYS B 3 7.996 -21.917 -15.724 1.00 40.02 H new ATOM 0 HG3 LYS B 3 8.008 -22.890 -14.266 1.00 40.02 H new ATOM 0 HD2 LYS B 3 5.458 -22.467 -15.851 1.00 72.21 H new ATOM 0 HD3 LYS B 3 6.604 -23.717 -16.292 1.00 72.21 H new ATOM 0 HE2 LYS B 3 5.690 -25.065 -14.738 1.00 65.41 H new ATOM 0 HE3 LYS B 3 6.261 -23.975 -13.490 1.00 65.41 H new ATOM 0 HZ1 LYS B 3 3.882 -24.317 -13.334 1.00 24.43 H new ATOM 0 HZ2 LYS B 3 4.211 -22.694 -13.709 1.00 24.43 H new ATOM 0 HZ3 LYS B 3 3.658 -23.750 -14.919 1.00 24.43 H new ATOM 1063 N LEU B 4 5.782 -18.522 -13.491 1.00 23.52 N ATOM 1064 CA LEU B 4 4.827 -17.420 -13.482 1.00 54.20 C ATOM 1065 C LEU B 4 4.539 -16.962 -12.056 1.00 10.54 C ATOM 1066 O LEU B 4 3.693 -16.097 -11.830 1.00 61.43 O ATOM 1067 CB LEU B 4 3.525 -17.841 -14.166 1.00 62.21 C ATOM 1068 CG LEU B 4 2.595 -18.736 -13.347 1.00 72.30 C ATOM 1069 CD1 LEU B 4 3.393 -19.794 -12.600 1.00 52.42 C ATOM 1070 CD2 LEU B 4 1.771 -17.902 -12.377 1.00 34.44 C ATOM 0 H LEU B 4 5.649 -19.201 -12.742 1.00 23.52 H new ATOM 0 HA LEU B 4 5.266 -16.587 -14.031 1.00 54.20 H new ATOM 0 HB2 LEU B 4 2.977 -16.941 -14.445 1.00 62.21 H new ATOM 0 HB3 LEU B 4 3.776 -18.361 -15.091 1.00 62.21 H new ATOM 0 HG LEU B 4 1.913 -19.241 -14.031 1.00 72.30 H new ATOM 0 HD11 LEU B 4 2.714 -20.422 -12.023 1.00 52.42 H new ATOM 0 HD12 LEU B 4 3.938 -20.411 -13.315 1.00 52.42 H new ATOM 0 HD13 LEU B 4 4.100 -19.309 -11.927 1.00 52.42 H new ATOM 0 HD21 LEU B 4 1.115 -18.555 -11.802 1.00 34.44 H new ATOM 0 HD22 LEU B 4 2.437 -17.369 -11.699 1.00 34.44 H new ATOM 0 HD23 LEU B 4 1.170 -17.183 -12.934 1.00 34.44 H new ATOM 1082 N ARG B 5 5.252 -17.545 -11.097 1.00 73.41 N ATOM 1083 CA ARG B 5 5.073 -17.196 -9.693 1.00 42.45 C ATOM 1084 C ARG B 5 5.644 -15.811 -9.401 1.00 73.31 C ATOM 1085 O ARG B 5 5.161 -15.105 -8.515 1.00 25.24 O ATOM 1086 CB ARG B 5 5.748 -18.236 -8.797 1.00 75.31 C ATOM 1087 CG ARG B 5 5.269 -19.657 -9.047 1.00 5.23 C ATOM 1088 CD ARG B 5 6.419 -20.651 -8.985 1.00 13.44 C ATOM 1089 NE ARG B 5 6.243 -21.751 -9.927 1.00 31.45 N ATOM 1090 CZ ARG B 5 5.460 -22.800 -9.696 1.00 61.13 C ATOM 1091 NH1 ARG B 5 4.784 -22.888 -8.559 1.00 40.52 N ATOM 1092 NH2 ARG B 5 5.352 -23.762 -10.604 1.00 12.42 N ATOM 0 H ARG B 5 5.959 -18.261 -11.267 1.00 73.41 H new ATOM 0 HA ARG B 5 4.004 -17.183 -9.481 1.00 42.45 H new ATOM 0 HB2 ARG B 5 6.826 -18.192 -8.952 1.00 75.31 H new ATOM 0 HB3 ARG B 5 5.565 -17.978 -7.754 1.00 75.31 H new ATOM 0 HG2 ARG B 5 4.515 -19.924 -8.306 1.00 5.23 H new ATOM 0 HG3 ARG B 5 4.789 -19.714 -10.024 1.00 5.23 H new ATOM 0 HD2 ARG B 5 7.355 -20.136 -9.200 1.00 13.44 H new ATOM 0 HD3 ARG B 5 6.500 -21.049 -7.974 1.00 13.44 H new ATOM 0 HE ARG B 5 6.749 -21.713 -10.812 1.00 31.45 H new ATOM 0 HH11 ARG B 5 4.864 -22.150 -7.860 1.00 40.52 H new ATOM 0 HH12 ARG B 5 4.184 -23.694 -8.384 1.00 40.52 H new ATOM 0 HH21 ARG B 5 5.870 -23.697 -11.480 1.00 12.42 H new ATOM 0 HH22 ARG B 5 4.751 -24.566 -10.426 1.00 12.42 H new ATOM 1106 N GLU B 6 6.673 -15.430 -10.151 1.00 72.20 N ATOM 1107 CA GLU B 6 7.309 -14.130 -9.971 1.00 13.33 C ATOM 1108 C GLU B 6 6.283 -13.004 -10.072 1.00 2.23 C ATOM 1109 O GLU B 6 6.466 -11.933 -9.495 1.00 51.31 O ATOM 1110 CB GLU B 6 8.410 -13.927 -11.013 1.00 31.53 C ATOM 1111 CG GLU B 6 9.661 -13.268 -10.458 1.00 15.21 C ATOM 1112 CD GLU B 6 9.953 -11.930 -11.108 1.00 61.41 C ATOM 1113 OE1 GLU B 6 9.417 -10.908 -10.630 1.00 71.24 O ATOM 1114 OE2 GLU B 6 10.717 -11.904 -12.095 1.00 62.43 O ATOM 0 H GLU B 6 7.084 -16.002 -10.889 1.00 72.20 H new ATOM 0 HA GLU B 6 7.753 -14.106 -8.976 1.00 13.33 H new ATOM 0 HB2 GLU B 6 8.678 -14.894 -11.439 1.00 31.53 H new ATOM 0 HB3 GLU B 6 8.019 -13.317 -11.827 1.00 31.53 H new ATOM 0 HG2 GLU B 6 9.547 -13.128 -9.383 1.00 15.21 H new ATOM 0 HG3 GLU B 6 10.513 -13.932 -10.605 1.00 15.21 H new ATOM 1122 N GLU B 7 5.208 -13.257 -10.811 1.00 55.51 N ATOM 1123 CA GLU B 7 4.154 -12.263 -10.989 1.00 10.22 C ATOM 1124 C GLU B 7 3.642 -11.766 -9.640 1.00 21.22 C ATOM 1125 O GLU B 7 3.246 -10.609 -9.503 1.00 50.01 O ATOM 1126 CB GLU B 7 2.999 -12.853 -11.800 1.00 62.32 C ATOM 1127 CG GLU B 7 2.123 -13.807 -11.006 1.00 71.22 C ATOM 1128 CD GLU B 7 1.186 -14.609 -11.888 1.00 70.44 C ATOM 1129 OE1 GLU B 7 1.197 -14.390 -13.118 1.00 70.42 O ATOM 1130 OE2 GLU B 7 0.443 -15.456 -11.350 1.00 62.44 O ATOM 0 H GLU B 7 5.043 -14.139 -11.296 1.00 55.51 H new ATOM 0 HA GLU B 7 4.575 -11.417 -11.532 1.00 10.22 H new ATOM 0 HB2 GLU B 7 2.382 -12.040 -12.183 1.00 62.32 H new ATOM 0 HB3 GLU B 7 3.404 -13.379 -12.664 1.00 62.32 H new ATOM 0 HG2 GLU B 7 2.756 -14.490 -10.440 1.00 71.22 H new ATOM 0 HG3 GLU B 7 1.538 -13.240 -10.282 1.00 71.22 H new ATOM 1138 N ALA B 8 3.652 -12.650 -8.648 1.00 41.41 N ATOM 1139 CA ALA B 8 3.190 -12.300 -7.309 1.00 22.40 C ATOM 1140 C ALA B 8 4.212 -11.429 -6.586 1.00 33.42 C ATOM 1141 O ALA B 8 3.858 -10.644 -5.706 1.00 25.13 O ATOM 1142 CB ALA B 8 2.904 -13.560 -6.505 1.00 71.51 C ATOM 0 H ALA B 8 3.974 -13.613 -8.745 1.00 41.41 H new ATOM 0 HA ALA B 8 2.268 -11.727 -7.407 1.00 22.40 H new ATOM 0 HB1 ALA B 8 2.560 -13.285 -5.508 1.00 71.51 H new ATOM 0 HB2 ALA B 8 2.133 -14.144 -7.007 1.00 71.51 H new ATOM 0 HB3 ALA B 8 3.814 -14.154 -6.424 1.00 71.51 H new ATOM 1148 N ALA B 9 5.478 -11.573 -6.962 1.00 32.52 N ATOM 1149 CA ALA B 9 6.549 -10.798 -6.349 1.00 22.24 C ATOM 1150 C ALA B 9 6.517 -9.348 -6.820 1.00 64.52 C ATOM 1151 O ALA B 9 6.757 -8.426 -6.042 1.00 72.04 O ATOM 1152 CB ALA B 9 7.900 -11.426 -6.661 1.00 2.13 C ATOM 0 H ALA B 9 5.787 -12.219 -7.688 1.00 32.52 H new ATOM 0 HA ALA B 9 6.397 -10.805 -5.270 1.00 22.24 H new ATOM 0 HB1 ALA B 9 8.691 -10.837 -6.197 1.00 2.13 H new ATOM 0 HB2 ALA B 9 7.928 -12.443 -6.269 1.00 2.13 H new ATOM 0 HB3 ALA B 9 8.050 -11.449 -7.740 1.00 2.13 H new ATOM 1158 N LYS B 10 6.220 -9.154 -8.101 1.00 54.15 N ATOM 1159 CA LYS B 10 6.155 -7.816 -8.677 1.00 72.11 C ATOM 1160 C LYS B 10 5.048 -6.995 -8.023 1.00 45.42 C ATOM 1161 O LYS B 10 5.143 -5.770 -7.929 1.00 24.11 O ATOM 1162 CB LYS B 10 5.918 -7.900 -10.187 1.00 42.21 C ATOM 1163 CG LYS B 10 6.800 -8.921 -10.885 1.00 40.55 C ATOM 1164 CD LYS B 10 7.176 -8.467 -12.286 1.00 11.12 C ATOM 1165 CE LYS B 10 8.300 -7.443 -12.257 1.00 63.50 C ATOM 1166 NZ LYS B 10 8.096 -6.367 -13.266 1.00 71.42 N ATOM 0 H LYS B 10 6.021 -9.907 -8.760 1.00 54.15 H new ATOM 0 HA LYS B 10 7.108 -7.321 -8.491 1.00 72.11 H new ATOM 0 HB2 LYS B 10 4.873 -8.150 -10.369 1.00 42.21 H new ATOM 0 HB3 LYS B 10 6.092 -6.919 -10.629 1.00 42.21 H new ATOM 0 HG2 LYS B 10 7.705 -9.083 -10.299 1.00 40.55 H new ATOM 0 HG3 LYS B 10 6.279 -9.877 -10.939 1.00 40.55 H new ATOM 0 HD2 LYS B 10 7.483 -9.329 -12.879 1.00 11.12 H new ATOM 0 HD3 LYS B 10 6.303 -8.037 -12.777 1.00 11.12 H new ATOM 0 HE2 LYS B 10 8.363 -7.001 -11.263 1.00 63.50 H new ATOM 0 HE3 LYS B 10 9.251 -7.942 -12.445 1.00 63.50 H new ATOM 0 HZ1 LYS B 10 8.883 -5.689 -13.215 1.00 71.42 H new ATOM 0 HZ2 LYS B 10 8.061 -6.785 -14.217 1.00 71.42 H new ATOM 0 HZ3 LYS B 10 7.201 -5.874 -13.072 1.00 71.42 H new ATOM 1180 N LEU B 11 4.001 -7.675 -7.572 1.00 71.50 N ATOM 1181 CA LEU B 11 2.877 -7.008 -6.924 1.00 72.52 C ATOM 1182 C LEU B 11 3.358 -6.095 -5.802 1.00 60.12 C ATOM 1183 O LEU B 11 2.896 -4.961 -5.670 1.00 3.31 O ATOM 1184 CB LEU B 11 1.895 -8.043 -6.370 1.00 52.21 C ATOM 1185 CG LEU B 11 1.266 -8.988 -7.394 1.00 20.21 C ATOM 1186 CD1 LEU B 11 0.219 -9.871 -6.732 1.00 65.34 C ATOM 1187 CD2 LEU B 11 0.654 -8.200 -8.542 1.00 4.11 C ATOM 0 H LEU B 11 3.906 -8.688 -7.643 1.00 71.50 H new ATOM 0 HA LEU B 11 2.369 -6.397 -7.671 1.00 72.52 H new ATOM 0 HB2 LEU B 11 2.414 -8.643 -5.623 1.00 52.21 H new ATOM 0 HB3 LEU B 11 1.094 -7.514 -5.854 1.00 52.21 H new ATOM 0 HG LEU B 11 2.049 -9.629 -7.798 1.00 20.21 H new ATOM 0 HD11 LEU B 11 -0.218 -10.537 -7.476 1.00 65.34 H new ATOM 0 HD12 LEU B 11 0.687 -10.463 -5.945 1.00 65.34 H new ATOM 0 HD13 LEU B 11 -0.563 -9.247 -6.300 1.00 65.34 H new ATOM 0 HD21 LEU B 11 0.211 -8.889 -9.261 1.00 4.11 H new ATOM 0 HD22 LEU B 11 -0.117 -7.534 -8.156 1.00 4.11 H new ATOM 0 HD23 LEU B 11 1.429 -7.612 -9.033 1.00 4.11 H new ATOM 1199 N PHE B 12 4.290 -6.595 -4.998 1.00 64.14 N ATOM 1200 CA PHE B 12 4.836 -5.822 -3.888 1.00 0.21 C ATOM 1201 C PHE B 12 5.787 -4.741 -4.393 1.00 13.24 C ATOM 1202 O PHE B 12 5.920 -3.682 -3.782 1.00 53.43 O ATOM 1203 CB PHE B 12 5.566 -6.743 -2.909 1.00 22.33 C ATOM 1204 CG PHE B 12 4.676 -7.778 -2.281 1.00 70.41 C ATOM 1205 CD1 PHE B 12 3.426 -7.432 -1.794 1.00 73.22 C ATOM 1206 CD2 PHE B 12 5.089 -9.096 -2.179 1.00 23.42 C ATOM 1207 CE1 PHE B 12 2.605 -8.382 -1.216 1.00 42.24 C ATOM 1208 CE2 PHE B 12 4.273 -10.051 -1.603 1.00 71.52 C ATOM 1209 CZ PHE B 12 3.028 -9.693 -1.122 1.00 30.35 C ATOM 0 H PHE B 12 4.683 -7.531 -5.094 1.00 64.14 H new ATOM 0 HA PHE B 12 4.007 -5.338 -3.372 1.00 0.21 H new ATOM 0 HB2 PHE B 12 6.380 -7.245 -3.433 1.00 22.33 H new ATOM 0 HB3 PHE B 12 6.018 -6.139 -2.122 1.00 22.33 H new ATOM 0 HD1 PHE B 12 3.089 -6.408 -1.867 1.00 73.22 H new ATOM 0 HD2 PHE B 12 6.061 -9.381 -2.554 1.00 23.42 H new ATOM 0 HE1 PHE B 12 1.634 -8.099 -0.838 1.00 42.24 H new ATOM 0 HE2 PHE B 12 4.608 -11.075 -1.529 1.00 71.52 H new ATOM 0 HZ PHE B 12 2.387 -10.437 -0.673 1.00 30.35 H new ATOM 1219 N GLU B 13 6.448 -5.019 -5.512 1.00 24.40 N ATOM 1220 CA GLU B 13 7.388 -4.071 -6.099 1.00 40.41 C ATOM 1221 C GLU B 13 6.702 -2.743 -6.406 1.00 15.11 C ATOM 1222 O GLU B 13 7.260 -1.674 -6.161 1.00 52.53 O ATOM 1223 CB GLU B 13 7.999 -4.649 -7.377 1.00 4.05 C ATOM 1224 CG GLU B 13 9.514 -4.543 -7.429 1.00 61.34 C ATOM 1225 CD GLU B 13 10.008 -3.870 -8.695 1.00 23.42 C ATOM 1226 OE1 GLU B 13 9.962 -4.514 -9.765 1.00 31.03 O ATOM 1227 OE2 GLU B 13 10.442 -2.702 -8.618 1.00 31.35 O ATOM 0 H GLU B 13 6.350 -5.892 -6.030 1.00 24.40 H new ATOM 0 HA GLU B 13 8.182 -3.891 -5.374 1.00 40.41 H new ATOM 0 HB2 GLU B 13 7.713 -5.697 -7.464 1.00 4.05 H new ATOM 0 HB3 GLU B 13 7.577 -4.131 -8.238 1.00 4.05 H new ATOM 0 HG2 GLU B 13 9.865 -3.982 -6.563 1.00 61.34 H new ATOM 0 HG3 GLU B 13 9.947 -5.541 -7.360 1.00 61.34 H new ATOM 1235 N GLU B 14 5.489 -2.821 -6.943 1.00 42.12 N ATOM 1236 CA GLU B 14 4.727 -1.625 -7.285 1.00 32.22 C ATOM 1237 C GLU B 14 4.158 -0.967 -6.031 1.00 74.25 C ATOM 1238 O GLU B 14 3.976 0.249 -5.985 1.00 53.43 O ATOM 1239 CB GLU B 14 3.594 -1.974 -8.252 1.00 1.10 C ATOM 1240 CG GLU B 14 4.057 -2.733 -9.484 1.00 1.01 C ATOM 1241 CD GLU B 14 3.165 -2.493 -10.686 1.00 4.11 C ATOM 1242 OE1 GLU B 14 1.964 -2.823 -10.609 1.00 31.34 O ATOM 1243 OE2 GLU B 14 3.669 -1.974 -11.705 1.00 32.03 O ATOM 0 H GLU B 14 5.013 -3.699 -7.151 1.00 42.12 H new ATOM 0 HA GLU B 14 5.402 -0.920 -7.770 1.00 32.22 H new ATOM 0 HB2 GLU B 14 2.850 -2.572 -7.726 1.00 1.10 H new ATOM 0 HB3 GLU B 14 3.100 -1.055 -8.566 1.00 1.10 H new ATOM 0 HG2 GLU B 14 5.077 -2.435 -9.728 1.00 1.01 H new ATOM 0 HG3 GLU B 14 4.081 -3.800 -9.261 1.00 1.01 H new ATOM 1251 N TRP B 15 3.876 -1.779 -5.019 1.00 21.52 N ATOM 1252 CA TRP B 15 3.326 -1.276 -3.766 1.00 33.55 C ATOM 1253 C TRP B 15 4.285 -0.292 -3.106 1.00 72.43 C ATOM 1254 O TRP B 15 3.879 0.781 -2.658 1.00 34.13 O ATOM 1255 CB TRP B 15 3.032 -2.436 -2.813 1.00 22.43 C ATOM 1256 CG TRP B 15 1.593 -2.857 -2.815 1.00 73.53 C ATOM 1257 CD1 TRP B 15 0.686 -2.670 -3.819 1.00 24.21 C ATOM 1258 CD2 TRP B 15 0.896 -3.532 -1.762 1.00 71.30 C ATOM 1259 NE1 TRP B 15 -0.533 -3.189 -3.453 1.00 63.41 N ATOM 1260 CE2 TRP B 15 -0.430 -3.724 -2.197 1.00 12.22 C ATOM 1261 CE3 TRP B 15 1.263 -3.995 -0.496 1.00 44.33 C ATOM 1262 CZ2 TRP B 15 -1.387 -4.357 -1.408 1.00 72.34 C ATOM 1263 CZ3 TRP B 15 0.312 -4.622 0.286 1.00 21.50 C ATOM 1264 CH2 TRP B 15 -1.000 -4.800 -0.173 1.00 54.43 C ATOM 0 H TRP B 15 4.019 -2.789 -5.042 1.00 21.52 H new ATOM 0 HA TRP B 15 2.396 -0.753 -3.990 1.00 33.55 H new ATOM 0 HB2 TRP B 15 3.653 -3.289 -3.088 1.00 22.43 H new ATOM 0 HB3 TRP B 15 3.317 -2.147 -1.801 1.00 22.43 H new ATOM 0 HD1 TRP B 15 0.896 -2.186 -4.761 1.00 24.21 H new ATOM 0 HE1 TRP B 15 -1.378 -3.177 -4.025 1.00 63.41 H new ATOM 0 HE3 TRP B 15 2.273 -3.865 -0.135 1.00 44.33 H new ATOM 0 HZ2 TRP B 15 -2.399 -4.493 -1.759 1.00 72.34 H new ATOM 0 HZ3 TRP B 15 0.584 -4.981 1.268 1.00 21.50 H new ATOM 0 HH2 TRP B 15 -1.720 -5.297 0.461 1.00 54.43 H new ATOM 1275 N LYS B 16 5.560 -0.662 -3.051 1.00 13.40 N ATOM 1276 CA LYS B 16 6.579 0.190 -2.447 1.00 74.42 C ATOM 1277 C LYS B 16 6.964 1.326 -3.388 1.00 42.35 C ATOM 1278 O LYS B 16 7.422 2.382 -2.950 1.00 1.51 O ATOM 1279 CB LYS B 16 7.817 -0.634 -2.091 1.00 14.13 C ATOM 1280 CG LYS B 16 8.361 -1.448 -3.253 1.00 53.14 C ATOM 1281 CD LYS B 16 9.779 -1.924 -2.986 1.00 52.43 C ATOM 1282 CE LYS B 16 10.802 -0.856 -3.343 1.00 34.40 C ATOM 1283 NZ LYS B 16 12.015 -1.440 -3.978 1.00 74.41 N ATOM 0 H LYS B 16 5.913 -1.546 -3.417 1.00 13.40 H new ATOM 0 HA LYS B 16 6.164 0.621 -1.536 1.00 74.42 H new ATOM 0 HB2 LYS B 16 8.598 0.036 -1.731 1.00 14.13 H new ATOM 0 HB3 LYS B 16 7.571 -1.308 -1.270 1.00 14.13 H new ATOM 0 HG2 LYS B 16 7.715 -2.308 -3.430 1.00 53.14 H new ATOM 0 HG3 LYS B 16 8.344 -0.845 -4.161 1.00 53.14 H new ATOM 0 HD2 LYS B 16 9.882 -2.191 -1.934 1.00 52.43 H new ATOM 0 HD3 LYS B 16 9.976 -2.826 -3.565 1.00 52.43 H new ATOM 0 HE2 LYS B 16 10.350 -0.132 -4.021 1.00 34.40 H new ATOM 0 HE3 LYS B 16 11.089 -0.313 -2.443 1.00 34.40 H new ATOM 0 HZ1 LYS B 16 12.687 -0.680 -4.206 1.00 74.41 H new ATOM 0 HZ2 LYS B 16 12.461 -2.112 -3.321 1.00 74.41 H new ATOM 0 HZ3 LYS B 16 11.745 -1.937 -4.851 1.00 74.41 H new ATOM 1297 N LYS B 17 6.776 1.105 -4.685 1.00 3.25 N ATOM 1298 CA LYS B 17 7.102 2.110 -5.689 1.00 43.53 C ATOM 1299 C LYS B 17 6.107 3.266 -5.645 1.00 14.45 C ATOM 1300 O LYS B 17 6.497 4.431 -5.552 1.00 73.40 O ATOM 1301 CB LYS B 17 7.110 1.484 -7.085 1.00 35.20 C ATOM 1302 CG LYS B 17 8.473 0.970 -7.514 1.00 13.20 C ATOM 1303 CD LYS B 17 9.407 2.110 -7.887 1.00 74.43 C ATOM 1304 CE LYS B 17 10.373 1.700 -8.988 1.00 2.21 C ATOM 1305 NZ LYS B 17 11.415 2.737 -9.223 1.00 4.50 N ATOM 0 H LYS B 17 6.399 0.237 -5.065 1.00 3.25 H new ATOM 0 HA LYS B 17 8.096 2.499 -5.467 1.00 43.53 H new ATOM 0 HB2 LYS B 17 6.397 0.660 -7.109 1.00 35.20 H new ATOM 0 HB3 LYS B 17 6.766 2.224 -7.808 1.00 35.20 H new ATOM 0 HG2 LYS B 17 8.914 0.387 -6.706 1.00 13.20 H new ATOM 0 HG3 LYS B 17 8.358 0.299 -8.365 1.00 13.20 H new ATOM 0 HD2 LYS B 17 8.822 2.969 -8.216 1.00 74.43 H new ATOM 0 HD3 LYS B 17 9.968 2.425 -7.007 1.00 74.43 H new ATOM 0 HE2 LYS B 17 10.851 0.758 -8.720 1.00 2.21 H new ATOM 0 HE3 LYS B 17 9.820 1.525 -9.911 1.00 2.21 H new ATOM 0 HZ1 LYS B 17 12.054 2.421 -9.980 1.00 4.50 H new ATOM 0 HZ2 LYS B 17 10.960 3.629 -9.504 1.00 4.50 H new ATOM 0 HZ3 LYS B 17 11.960 2.886 -8.350 1.00 4.50 H new ATOM 1319 N LEU B 18 4.821 2.937 -5.709 1.00 3.04 N ATOM 1320 CA LEU B 18 3.771 3.948 -5.674 1.00 12.21 C ATOM 1321 C LEU B 18 3.905 4.830 -4.437 1.00 73.34 C ATOM 1322 O LEU B 18 3.579 6.016 -4.470 1.00 61.14 O ATOM 1323 CB LEU B 18 2.394 3.281 -5.692 1.00 23.03 C ATOM 1324 CG LEU B 18 2.057 2.470 -6.944 1.00 44.21 C ATOM 1325 CD1 LEU B 18 0.970 1.450 -6.644 1.00 21.03 C ATOM 1326 CD2 LEU B 18 1.629 3.391 -8.077 1.00 64.51 C ATOM 0 H LEU B 18 4.481 1.978 -5.785 1.00 3.04 H new ATOM 0 HA LEU B 18 3.876 4.577 -6.558 1.00 12.21 H new ATOM 0 HB2 LEU B 18 2.320 2.623 -4.826 1.00 23.03 H new ATOM 0 HB3 LEU B 18 1.636 4.055 -5.570 1.00 23.03 H new ATOM 0 HG LEU B 18 2.953 1.933 -7.257 1.00 44.21 H new ATOM 0 HD11 LEU B 18 0.744 0.883 -7.547 1.00 21.03 H new ATOM 0 HD12 LEU B 18 1.314 0.770 -5.865 1.00 21.03 H new ATOM 0 HD13 LEU B 18 0.071 1.965 -6.305 1.00 21.03 H new ATOM 0 HD21 LEU B 18 1.393 2.797 -8.960 1.00 64.51 H new ATOM 0 HD22 LEU B 18 0.747 3.956 -7.774 1.00 64.51 H new ATOM 0 HD23 LEU B 18 2.439 4.081 -8.311 1.00 64.51 H new ATOM 1338 N ALA B 19 4.387 4.243 -3.347 1.00 2.00 N ATOM 1339 CA ALA B 19 4.569 4.977 -2.101 1.00 13.52 C ATOM 1340 C ALA B 19 5.586 6.100 -2.267 1.00 62.35 C ATOM 1341 O ALA B 19 5.595 7.060 -1.499 1.00 41.40 O ATOM 1342 CB ALA B 19 5.001 4.032 -0.990 1.00 33.20 C ATOM 0 H ALA B 19 4.659 3.261 -3.301 1.00 2.00 H new ATOM 0 HA ALA B 19 3.613 5.426 -1.831 1.00 13.52 H new ATOM 0 HB1 ALA B 19 5.133 4.594 -0.065 1.00 33.20 H new ATOM 0 HB2 ALA B 19 4.237 3.268 -0.844 1.00 33.20 H new ATOM 0 HB3 ALA B 19 5.943 3.556 -1.263 1.00 33.20 H new ATOM 1348 N GLU B 20 6.442 5.972 -3.277 1.00 44.05 N ATOM 1349 CA GLU B 20 7.464 6.977 -3.543 1.00 45.51 C ATOM 1350 C GLU B 20 6.846 8.240 -4.136 1.00 13.11 C ATOM 1351 O GLU B 20 7.111 9.348 -3.675 1.00 42.54 O ATOM 1352 CB GLU B 20 8.524 6.419 -4.496 1.00 53.15 C ATOM 1353 CG GLU B 20 9.926 6.932 -4.215 1.00 15.24 C ATOM 1354 CD GLU B 20 10.701 6.027 -3.276 1.00 15.21 C ATOM 1355 OE1 GLU B 20 11.092 4.922 -3.707 1.00 52.10 O ATOM 1356 OE2 GLU B 20 10.915 6.423 -2.111 1.00 50.20 O ATOM 0 H GLU B 20 6.447 5.183 -3.923 1.00 44.05 H new ATOM 0 HA GLU B 20 7.937 7.236 -2.596 1.00 45.51 H new ATOM 0 HB2 GLU B 20 8.524 5.331 -4.429 1.00 53.15 H new ATOM 0 HB3 GLU B 20 8.251 6.675 -5.520 1.00 53.15 H new ATOM 0 HG2 GLU B 20 10.470 7.025 -5.155 1.00 15.24 H new ATOM 0 HG3 GLU B 20 9.864 7.930 -3.782 1.00 15.24 H new ATOM 1364 N GLU B 21 6.019 8.061 -5.162 1.00 22.12 N ATOM 1365 CA GLU B 21 5.364 9.185 -5.819 1.00 64.03 C ATOM 1366 C GLU B 21 4.271 9.774 -4.931 1.00 12.03 C ATOM 1367 O GLU B 21 4.209 10.985 -4.725 1.00 73.13 O ATOM 1368 CB GLU B 21 4.766 8.745 -7.158 1.00 12.41 C ATOM 1369 CG GLU B 21 5.757 8.029 -8.060 1.00 61.53 C ATOM 1370 CD GLU B 21 6.085 8.822 -9.311 1.00 35.14 C ATOM 1371 OE1 GLU B 21 5.781 8.332 -10.418 1.00 65.51 O ATOM 1372 OE2 GLU B 21 6.644 9.930 -9.183 1.00 41.51 O ATOM 0 H GLU B 21 5.787 7.149 -5.555 1.00 22.12 H new ATOM 0 HA GLU B 21 6.115 9.954 -6.000 1.00 64.03 H new ATOM 0 HB2 GLU B 21 3.918 8.087 -6.969 1.00 12.41 H new ATOM 0 HB3 GLU B 21 4.380 9.621 -7.679 1.00 12.41 H new ATOM 0 HG2 GLU B 21 6.675 7.837 -7.505 1.00 61.53 H new ATOM 0 HG3 GLU B 21 5.348 7.060 -8.345 1.00 61.53 H new ATOM 1380 N ALA B 22 3.412 8.905 -4.408 1.00 11.44 N ATOM 1381 CA ALA B 22 2.323 9.338 -3.540 1.00 33.31 C ATOM 1382 C ALA B 22 2.851 10.122 -2.344 1.00 70.12 C ATOM 1383 O ALA B 22 2.179 11.015 -1.830 1.00 3.24 O ATOM 1384 CB ALA B 22 1.514 8.137 -3.071 1.00 34.13 C ATOM 0 H ALA B 22 3.449 7.899 -4.570 1.00 11.44 H new ATOM 0 HA ALA B 22 1.674 9.999 -4.115 1.00 33.31 H new ATOM 0 HB1 ALA B 22 0.704 8.474 -2.424 1.00 34.13 H new ATOM 0 HB2 ALA B 22 1.097 7.620 -3.935 1.00 34.13 H new ATOM 0 HB3 ALA B 22 2.161 7.456 -2.518 1.00 34.13 H new ATOM 1390 N ALA B 23 4.059 9.781 -1.906 1.00 43.33 N ATOM 1391 CA ALA B 23 4.678 10.455 -0.770 1.00 62.45 C ATOM 1392 C ALA B 23 5.092 11.876 -1.136 1.00 52.14 C ATOM 1393 O ALA B 23 4.712 12.836 -0.465 1.00 50.10 O ATOM 1394 CB ALA B 23 5.880 9.663 -0.278 1.00 23.53 C ATOM 0 H ALA B 23 4.628 9.043 -2.320 1.00 43.33 H new ATOM 0 HA ALA B 23 3.943 10.513 0.032 1.00 62.45 H new ATOM 0 HB1 ALA B 23 6.332 10.177 0.570 1.00 23.53 H new ATOM 0 HB2 ALA B 23 5.559 8.668 0.030 1.00 23.53 H new ATOM 0 HB3 ALA B 23 6.611 9.575 -1.081 1.00 23.53 H new ATOM 1400 N LYS B 24 5.874 12.004 -2.202 1.00 53.23 N ATOM 1401 CA LYS B 24 6.340 13.309 -2.657 1.00 35.41 C ATOM 1402 C LYS B 24 5.167 14.190 -3.075 1.00 1.30 C ATOM 1403 O LYS B 24 5.191 15.407 -2.881 1.00 34.14 O ATOM 1404 CB LYS B 24 7.312 13.146 -3.828 1.00 41.43 C ATOM 1405 CG LYS B 24 6.735 12.359 -4.992 1.00 10.35 C ATOM 1406 CD LYS B 24 7.734 12.238 -6.131 1.00 40.03 C ATOM 1407 CE LYS B 24 8.786 11.179 -5.840 1.00 24.10 C ATOM 1408 NZ LYS B 24 8.721 10.052 -6.812 1.00 11.33 N ATOM 0 H LYS B 24 6.199 11.220 -2.768 1.00 53.23 H new ATOM 0 HA LYS B 24 6.857 13.792 -1.828 1.00 35.41 H new ATOM 0 HB2 LYS B 24 7.612 14.133 -4.181 1.00 41.43 H new ATOM 0 HB3 LYS B 24 8.214 12.646 -3.474 1.00 41.43 H new ATOM 0 HG2 LYS B 24 6.446 11.364 -4.653 1.00 10.35 H new ATOM 0 HG3 LYS B 24 5.830 12.849 -5.351 1.00 10.35 H new ATOM 0 HD2 LYS B 24 7.208 11.987 -7.052 1.00 40.03 H new ATOM 0 HD3 LYS B 24 8.220 13.200 -6.294 1.00 40.03 H new ATOM 0 HE2 LYS B 24 9.777 11.632 -5.875 1.00 24.10 H new ATOM 0 HE3 LYS B 24 8.646 10.796 -4.829 1.00 24.10 H new ATOM 0 HZ1 LYS B 24 8.565 9.160 -6.300 1.00 11.33 H new ATOM 0 HZ2 LYS B 24 7.937 10.211 -7.476 1.00 11.33 H new ATOM 0 HZ3 LYS B 24 9.616 9.997 -7.340 1.00 11.33 H new ATOM 1422 N LEU B 25 4.142 13.570 -3.650 1.00 15.45 N ATOM 1423 CA LEU B 25 2.959 14.298 -4.093 1.00 34.11 C ATOM 1424 C LEU B 25 2.069 14.665 -2.910 1.00 32.33 C ATOM 1425 O LEU B 25 1.500 15.755 -2.862 1.00 55.12 O ATOM 1426 CB LEU B 25 2.169 13.461 -5.101 1.00 33.14 C ATOM 1427 CG LEU B 25 2.391 13.799 -6.575 1.00 55.23 C ATOM 1428 CD1 LEU B 25 1.548 12.897 -7.462 1.00 22.22 C ATOM 1429 CD2 LEU B 25 2.069 15.262 -6.841 1.00 42.01 C ATOM 0 H LEU B 25 4.107 12.565 -3.820 1.00 15.45 H new ATOM 0 HA LEU B 25 3.289 15.219 -4.574 1.00 34.11 H new ATOM 0 HB2 LEU B 25 2.421 12.412 -4.948 1.00 33.14 H new ATOM 0 HB3 LEU B 25 1.107 13.570 -4.880 1.00 33.14 H new ATOM 0 HG LEU B 25 3.441 13.629 -6.812 1.00 55.23 H new ATOM 0 HD11 LEU B 25 1.719 13.152 -8.508 1.00 22.22 H new ATOM 0 HD12 LEU B 25 1.826 11.857 -7.292 1.00 22.22 H new ATOM 0 HD13 LEU B 25 0.493 13.034 -7.223 1.00 22.22 H new ATOM 0 HD21 LEU B 25 2.233 15.485 -7.895 1.00 42.01 H new ATOM 0 HD22 LEU B 25 1.027 15.457 -6.586 1.00 42.01 H new ATOM 0 HD23 LEU B 25 2.716 15.893 -6.232 1.00 42.01 H new ATOM 1441 N LEU B 26 1.954 13.747 -1.956 1.00 65.10 N ATOM 1442 CA LEU B 26 1.135 13.973 -0.771 1.00 53.34 C ATOM 1443 C LEU B 26 1.480 15.307 -0.117 1.00 41.24 C ATOM 1444 O LEU B 26 0.595 16.105 0.189 1.00 41.52 O ATOM 1445 CB LEU B 26 1.330 12.835 0.233 1.00 71.12 C ATOM 1446 CG LEU B 26 0.261 11.741 0.224 1.00 44.22 C ATOM 1447 CD1 LEU B 26 0.812 10.452 0.814 1.00 64.55 C ATOM 1448 CD2 LEU B 26 -0.974 12.195 0.989 1.00 3.44 C ATOM 0 H LEU B 26 2.418 12.839 -1.981 1.00 65.10 H new ATOM 0 HA LEU B 26 0.091 14.001 -1.082 1.00 53.34 H new ATOM 0 HB2 LEU B 26 2.298 12.371 0.042 1.00 71.12 H new ATOM 0 HB3 LEU B 26 1.374 13.264 1.234 1.00 71.12 H new ATOM 0 HG LEU B 26 -0.027 11.550 -0.810 1.00 44.22 H new ATOM 0 HD11 LEU B 26 0.038 9.685 0.799 1.00 64.55 H new ATOM 0 HD12 LEU B 26 1.665 10.117 0.224 1.00 64.55 H new ATOM 0 HD13 LEU B 26 1.129 10.629 1.842 1.00 64.55 H new ATOM 0 HD21 LEU B 26 -1.724 11.404 0.972 1.00 3.44 H new ATOM 0 HD22 LEU B 26 -0.702 12.415 2.021 1.00 3.44 H new ATOM 0 HD23 LEU B 26 -1.382 13.092 0.522 1.00 3.44 H new ATOM 1460 N GLU B 27 2.772 15.543 0.091 1.00 22.15 N ATOM 1461 CA GLU B 27 3.234 16.781 0.706 1.00 75.31 C ATOM 1462 C GLU B 27 3.536 17.836 -0.354 1.00 25.25 C ATOM 1463 O GLU B 27 4.161 18.857 -0.069 1.00 42.31 O ATOM 1464 CB GLU B 27 4.480 16.522 1.555 1.00 71.04 C ATOM 1465 CG GLU B 27 4.310 15.391 2.556 1.00 3.30 C ATOM 1466 CD GLU B 27 5.629 14.936 3.150 1.00 51.31 C ATOM 1467 OE1 GLU B 27 6.013 15.466 4.215 1.00 62.21 O ATOM 1468 OE2 GLU B 27 6.276 14.052 2.552 1.00 32.03 O ATOM 0 H GLU B 27 3.517 14.892 -0.158 1.00 22.15 H new ATOM 0 HA GLU B 27 2.438 17.156 1.349 1.00 75.31 H new ATOM 0 HB2 GLU B 27 5.317 16.290 0.896 1.00 71.04 H new ATOM 0 HB3 GLU B 27 4.740 17.435 2.091 1.00 71.04 H new ATOM 0 HG2 GLU B 27 3.648 15.717 3.358 1.00 3.30 H new ATOM 0 HG3 GLU B 27 3.826 14.546 2.066 1.00 3.30 H new ATOM 1476 N GLY B 28 3.090 17.579 -1.581 1.00 54.44 N ATOM 1477 CA GLY B 28 3.323 18.515 -2.665 1.00 23.43 C ATOM 1478 C GLY B 28 2.449 19.749 -2.566 1.00 11.53 C ATOM 1479 O GLY B 28 1.651 20.027 -3.458 1.00 61.55 O ATOM 0 H GLY B 28 2.572 16.740 -1.843 1.00 54.44 H new ATOM 0 HA2 GLY B 28 4.371 18.815 -2.662 1.00 23.43 H new ATOM 0 HA3 GLY B 28 3.136 18.017 -3.617 1.00 23.43 H new ATOM 1483 N GLY B 29 2.599 20.492 -1.472 1.00 23.55 N ATOM 1484 CA GLY B 29 1.810 21.694 -1.279 1.00 34.14 C ATOM 1485 C GLY B 29 0.324 21.445 -1.448 1.00 25.33 C ATOM 1486 O GLY B 29 -0.388 22.265 -2.025 1.00 31.31 O ATOM 0 H GLY B 29 3.252 20.282 -0.717 1.00 23.55 H new ATOM 0 HA2 GLY B 29 1.998 22.092 -0.282 1.00 34.14 H new ATOM 0 HA3 GLY B 29 2.131 22.454 -1.991 1.00 34.14 H new ATOM 1490 N GLY B 30 -0.145 20.307 -0.946 1.00 32.13 N ATOM 1491 CA GLY B 30 -1.552 19.970 -1.057 1.00 54.54 C ATOM 1492 C GLY B 30 -2.363 20.470 0.124 1.00 2.11 C ATOM 1493 O GLY B 30 -3.409 21.093 -0.051 1.00 31.43 O ATOM 0 H GLY B 30 0.425 19.612 -0.464 1.00 32.13 H new ATOM 0 HA2 GLY B 30 -1.953 20.397 -1.976 1.00 54.54 H new ATOM 0 HA3 GLY B 30 -1.658 18.888 -1.135 1.00 54.54 H new ATOM 1497 N GLY B 31 -1.878 20.195 1.331 1.00 14.52 N ATOM 1498 CA GLY B 31 -2.578 20.627 2.527 1.00 0.11 C ATOM 1499 C GLY B 31 -1.659 20.739 3.727 1.00 12.23 C ATOM 1500 O GLY B 31 -1.698 21.728 4.459 1.00 20.21 O ATOM 0 H GLY B 31 -1.014 19.681 1.502 1.00 14.52 H new ATOM 0 HA2 GLY B 31 -3.047 21.593 2.341 1.00 0.11 H new ATOM 0 HA3 GLY B 31 -3.378 19.922 2.751 1.00 0.11 H new ATOM 1504 N GLY B 32 -0.829 19.719 3.933 1.00 74.23 N ATOM 1505 CA GLY B 32 0.090 19.727 5.056 1.00 31.31 C ATOM 1506 C GLY B 32 1.063 18.565 5.016 1.00 51.01 C ATOM 1507 O GLY B 32 1.930 18.502 4.145 1.00 13.23 O ATOM 0 H GLY B 32 -0.777 18.889 3.343 1.00 74.23 H new ATOM 0 HA2 GLY B 32 0.647 20.664 5.059 1.00 31.31 H new ATOM 0 HA3 GLY B 32 -0.477 19.690 5.986 1.00 31.31 H new ATOM 1511 N GLY B 33 0.920 17.642 5.962 1.00 4.51 N ATOM 1512 CA GLY B 33 1.802 16.491 6.015 1.00 72.42 C ATOM 1513 C GLY B 33 3.191 16.845 6.507 1.00 62.01 C ATOM 1514 O GLY B 33 3.905 17.618 5.868 1.00 32.14 O ATOM 0 H GLY B 33 0.209 17.671 6.693 1.00 4.51 H new ATOM 0 HA2 GLY B 33 1.369 15.736 6.671 1.00 72.42 H new ATOM 0 HA3 GLY B 33 1.874 16.047 5.022 1.00 72.42 H new ATOM 1518 N GLY B 34 3.576 16.281 7.647 1.00 35.23 N ATOM 1519 CA GLY B 34 4.886 16.557 8.206 1.00 33.35 C ATOM 1520 C GLY B 34 5.037 16.026 9.619 1.00 31.20 C ATOM 1521 O GLY B 34 4.837 16.756 10.587 1.00 15.45 O ATOM 0 H GLY B 34 3.004 15.638 8.194 1.00 35.23 H new ATOM 0 HA2 GLY B 34 5.650 16.111 7.570 1.00 33.35 H new ATOM 0 HA3 GLY B 34 5.059 17.633 8.205 1.00 33.35 H new ATOM 1525 N GLY B 35 5.390 14.749 9.736 1.00 2.00 N ATOM 1526 CA GLY B 35 5.560 14.144 11.043 1.00 34.15 C ATOM 1527 C GLY B 35 5.076 12.707 11.083 1.00 13.54 C ATOM 1528 O GLY B 35 5.411 11.908 10.210 1.00 62.22 O ATOM 0 H GLY B 35 5.561 14.124 8.949 1.00 2.00 H new ATOM 0 HA2 GLY B 35 6.613 14.178 11.322 1.00 34.15 H new ATOM 0 HA3 GLY B 35 5.015 14.729 11.784 1.00 34.15 H new ATOM 1532 N GLU B 36 4.288 12.377 12.102 1.00 42.33 N ATOM 1533 CA GLU B 36 3.761 11.027 12.254 1.00 32.42 C ATOM 1534 C GLU B 36 2.706 10.732 11.191 1.00 40.33 C ATOM 1535 O GLU B 36 2.590 9.603 10.710 1.00 10.41 O ATOM 1536 CB GLU B 36 3.160 10.843 13.648 1.00 12.35 C ATOM 1537 CG GLU B 36 2.407 9.535 13.821 1.00 65.44 C ATOM 1538 CD GLU B 36 2.861 8.755 15.039 1.00 52.44 C ATOM 1539 OE1 GLU B 36 4.083 8.701 15.286 1.00 12.33 O ATOM 1540 OE2 GLU B 36 1.993 8.201 15.745 1.00 31.24 O ATOM 0 H GLU B 36 4.001 13.027 12.834 1.00 42.33 H new ATOM 0 HA GLU B 36 4.587 10.327 12.127 1.00 32.42 H new ATOM 0 HB2 GLU B 36 3.959 10.893 14.388 1.00 12.35 H new ATOM 0 HB3 GLU B 36 2.483 11.672 13.854 1.00 12.35 H new ATOM 0 HG2 GLU B 36 1.340 9.743 13.905 1.00 65.44 H new ATOM 0 HG3 GLU B 36 2.543 8.922 12.930 1.00 65.44 H new ATOM 1548 N LEU B 37 1.939 11.754 10.829 1.00 61.32 N ATOM 1549 CA LEU B 37 0.892 11.606 9.822 1.00 13.32 C ATOM 1550 C LEU B 37 1.445 10.973 8.550 1.00 2.54 C ATOM 1551 O LEU B 37 0.940 9.953 8.082 1.00 42.20 O ATOM 1552 CB LEU B 37 0.271 12.966 9.500 1.00 13.42 C ATOM 1553 CG LEU B 37 -0.565 13.037 8.222 1.00 1.20 C ATOM 1554 CD1 LEU B 37 -1.644 11.966 8.231 1.00 71.13 C ATOM 1555 CD2 LEU B 37 -1.182 14.419 8.064 1.00 31.04 C ATOM 0 H LEU B 37 2.021 12.694 11.217 1.00 61.32 H new ATOM 0 HA LEU B 37 0.123 10.949 10.228 1.00 13.32 H new ATOM 0 HB2 LEU B 37 -0.358 13.263 10.339 1.00 13.42 H new ATOM 0 HB3 LEU B 37 1.073 13.701 9.427 1.00 13.42 H new ATOM 0 HG LEU B 37 0.091 12.856 7.370 1.00 1.20 H new ATOM 0 HD11 LEU B 37 -2.229 12.031 7.314 1.00 71.13 H new ATOM 0 HD12 LEU B 37 -1.179 10.982 8.296 1.00 71.13 H new ATOM 0 HD13 LEU B 37 -2.298 12.116 9.090 1.00 71.13 H new ATOM 0 HD21 LEU B 37 -1.773 14.451 7.149 1.00 31.04 H new ATOM 0 HD22 LEU B 37 -1.824 14.631 8.919 1.00 31.04 H new ATOM 0 HD23 LEU B 37 -0.391 15.167 8.011 1.00 31.04 H new ATOM 1567 N MET B 38 2.488 11.583 7.997 1.00 11.14 N ATOM 1568 CA MET B 38 3.112 11.076 6.781 1.00 45.20 C ATOM 1569 C MET B 38 3.848 9.767 7.051 1.00 71.43 C ATOM 1570 O MET B 38 4.021 8.943 6.152 1.00 14.43 O ATOM 1571 CB MET B 38 4.085 12.111 6.211 1.00 51.15 C ATOM 1572 CG MET B 38 4.721 11.690 4.897 1.00 21.34 C ATOM 1573 SD MET B 38 6.521 11.787 4.934 1.00 62.22 S ATOM 1574 CE MET B 38 6.899 10.582 6.203 1.00 12.34 C ATOM 0 H MET B 38 2.919 12.428 8.371 1.00 11.14 H new ATOM 0 HA MET B 38 2.324 10.886 6.052 1.00 45.20 H new ATOM 0 HB2 MET B 38 3.556 13.052 6.063 1.00 51.15 H new ATOM 0 HB3 MET B 38 4.872 12.299 6.942 1.00 51.15 H new ATOM 0 HG2 MET B 38 4.421 10.669 4.663 1.00 21.34 H new ATOM 0 HG3 MET B 38 4.343 12.325 4.095 1.00 21.34 H new ATOM 0 HE1 MET B 38 7.980 10.462 6.280 1.00 12.34 H new ATOM 0 HE2 MET B 38 6.503 10.924 7.159 1.00 12.34 H new ATOM 0 HE3 MET B 38 6.445 9.626 5.943 1.00 12.34 H new ATOM 1584 N LYS B 39 4.279 9.582 8.294 1.00 32.52 N ATOM 1585 CA LYS B 39 4.994 8.373 8.685 1.00 61.43 C ATOM 1586 C LYS B 39 4.181 7.127 8.347 1.00 20.22 C ATOM 1587 O LYS B 39 4.740 6.060 8.089 1.00 73.10 O ATOM 1588 CB LYS B 39 5.307 8.401 10.182 1.00 35.20 C ATOM 1589 CG LYS B 39 6.487 7.529 10.574 1.00 33.12 C ATOM 1590 CD LYS B 39 6.267 6.867 11.924 1.00 30.34 C ATOM 1591 CE LYS B 39 7.586 6.576 12.623 1.00 40.52 C ATOM 1592 NZ LYS B 39 8.108 7.772 13.341 1.00 14.42 N ATOM 0 H LYS B 39 4.145 10.255 9.049 1.00 32.52 H new ATOM 0 HA LYS B 39 5.929 8.338 8.126 1.00 61.43 H new ATOM 0 HB2 LYS B 39 5.510 9.429 10.483 1.00 35.20 H new ATOM 0 HB3 LYS B 39 4.426 8.075 10.735 1.00 35.20 H new ATOM 0 HG2 LYS B 39 6.644 6.764 9.814 1.00 33.12 H new ATOM 0 HG3 LYS B 39 7.393 8.135 10.608 1.00 33.12 H new ATOM 0 HD2 LYS B 39 5.656 7.514 12.553 1.00 30.34 H new ATOM 0 HD3 LYS B 39 5.713 5.938 11.789 1.00 30.34 H new ATOM 0 HE2 LYS B 39 7.449 5.758 13.331 1.00 40.52 H new ATOM 0 HE3 LYS B 39 8.320 6.243 11.889 1.00 40.52 H new ATOM 0 HZ1 LYS B 39 9.008 7.533 13.804 1.00 14.42 H new ATOM 0 HZ2 LYS B 39 8.262 8.545 12.662 1.00 14.42 H new ATOM 0 HZ3 LYS B 39 7.419 8.074 14.059 1.00 14.42 H new ATOM 1606 N LEU B 40 2.860 7.269 8.351 1.00 30.24 N ATOM 1607 CA LEU B 40 1.971 6.155 8.044 1.00 73.14 C ATOM 1608 C LEU B 40 2.014 5.816 6.557 1.00 23.12 C ATOM 1609 O LEU B 40 1.765 4.676 6.162 1.00 50.45 O ATOM 1610 CB LEU B 40 0.537 6.492 8.459 1.00 60.15 C ATOM 1611 CG LEU B 40 0.190 6.253 9.928 1.00 54.34 C ATOM 1612 CD1 LEU B 40 -1.022 7.079 10.332 1.00 51.10 C ATOM 1613 CD2 LEU B 40 -0.062 4.774 10.182 1.00 13.34 C ATOM 0 H LEU B 40 2.382 8.144 8.563 1.00 30.24 H new ATOM 0 HA LEU B 40 2.312 5.286 8.606 1.00 73.14 H new ATOM 0 HB2 LEU B 40 0.350 7.541 8.228 1.00 60.15 H new ATOM 0 HB3 LEU B 40 -0.145 5.904 7.845 1.00 60.15 H new ATOM 0 HG LEU B 40 1.037 6.567 10.537 1.00 54.34 H new ATOM 0 HD11 LEU B 40 -1.254 6.896 11.381 1.00 51.10 H new ATOM 0 HD12 LEU B 40 -0.805 8.137 10.188 1.00 51.10 H new ATOM 0 HD13 LEU B 40 -1.876 6.797 9.717 1.00 51.10 H new ATOM 0 HD21 LEU B 40 -0.308 4.622 11.233 1.00 13.34 H new ATOM 0 HD22 LEU B 40 -0.892 4.435 9.563 1.00 13.34 H new ATOM 0 HD23 LEU B 40 0.833 4.204 9.933 1.00 13.34 H new ATOM 1625 N CYS B 41 2.336 6.811 5.738 1.00 1.43 N ATOM 1626 CA CYS B 41 2.415 6.618 4.294 1.00 41.42 C ATOM 1627 C CYS B 41 3.686 5.863 3.916 1.00 60.44 C ATOM 1628 O CYS B 41 3.655 4.956 3.085 1.00 23.40 O ATOM 1629 CB CYS B 41 2.376 7.967 3.576 1.00 65.23 C ATOM 1630 SG CYS B 41 1.094 9.089 4.180 1.00 54.51 S ATOM 0 H CYS B 41 2.547 7.759 6.049 1.00 1.43 H new ATOM 0 HA CYS B 41 1.555 6.025 3.983 1.00 41.42 H new ATOM 0 HB2 CYS B 41 3.347 8.451 3.682 1.00 65.23 H new ATOM 0 HB3 CYS B 41 2.221 7.795 2.511 1.00 65.23 H new ATOM 0 HG CYS B 41 -0.037 8.804 3.606 1.00 54.51 H new ATOM 1636 N GLU B 42 4.800 6.245 4.530 1.00 42.41 N ATOM 1637 CA GLU B 42 6.082 5.606 4.255 1.00 1.02 C ATOM 1638 C GLU B 42 5.997 4.099 4.481 1.00 32.51 C ATOM 1639 O GLU B 42 6.760 3.329 3.898 1.00 41.33 O ATOM 1640 CB GLU B 42 7.177 6.205 5.139 1.00 2.04 C ATOM 1641 CG GLU B 42 8.581 5.996 4.596 1.00 33.45 C ATOM 1642 CD GLU B 42 9.488 7.183 4.850 1.00 71.20 C ATOM 1643 OE1 GLU B 42 9.706 7.521 6.033 1.00 63.01 O ATOM 1644 OE2 GLU B 42 9.980 7.776 3.867 1.00 74.34 O ATOM 0 H GLU B 42 4.842 6.994 5.221 1.00 42.41 H new ATOM 0 HA GLU B 42 6.332 5.786 3.209 1.00 1.02 H new ATOM 0 HB2 GLU B 42 6.996 7.274 5.253 1.00 2.04 H new ATOM 0 HB3 GLU B 42 7.112 5.763 6.133 1.00 2.04 H new ATOM 0 HG2 GLU B 42 9.015 5.107 5.054 1.00 33.45 H new ATOM 0 HG3 GLU B 42 8.527 5.808 3.524 1.00 33.45 H new ATOM 1652 N GLU B 43 5.064 3.686 5.333 1.00 12.21 N ATOM 1653 CA GLU B 43 4.881 2.272 5.639 1.00 42.20 C ATOM 1654 C GLU B 43 4.676 1.462 4.362 1.00 51.11 C ATOM 1655 O GLU B 43 5.092 0.308 4.273 1.00 22.42 O ATOM 1656 CB GLU B 43 3.686 2.080 6.575 1.00 31.43 C ATOM 1657 CG GLU B 43 3.962 2.502 8.008 1.00 70.10 C ATOM 1658 CD GLU B 43 4.482 1.362 8.862 1.00 33.34 C ATOM 1659 OE1 GLU B 43 5.605 0.885 8.595 1.00 40.22 O ATOM 1660 OE2 GLU B 43 3.766 0.945 9.797 1.00 62.41 O ATOM 0 H GLU B 43 4.423 4.310 5.823 1.00 12.21 H new ATOM 0 HA GLU B 43 5.783 1.914 6.136 1.00 42.20 H new ATOM 0 HB2 GLU B 43 2.840 2.652 6.193 1.00 31.43 H new ATOM 0 HB3 GLU B 43 3.392 1.031 6.564 1.00 31.43 H new ATOM 0 HG2 GLU B 43 4.690 3.314 8.010 1.00 70.10 H new ATOM 0 HG3 GLU B 43 3.046 2.894 8.450 1.00 70.10 H new ATOM 1668 N ALA B 44 4.031 2.077 3.375 1.00 35.04 N ATOM 1669 CA ALA B 44 3.771 1.415 2.103 1.00 14.23 C ATOM 1670 C ALA B 44 5.049 0.816 1.526 1.00 73.33 C ATOM 1671 O ALA B 44 5.046 -0.305 1.016 1.00 71.55 O ATOM 1672 CB ALA B 44 3.151 2.392 1.116 1.00 24.00 C ATOM 0 H ALA B 44 3.679 3.033 3.433 1.00 35.04 H new ATOM 0 HA ALA B 44 3.067 0.602 2.282 1.00 14.23 H new ATOM 0 HB1 ALA B 44 2.962 1.884 0.171 1.00 24.00 H new ATOM 0 HB2 ALA B 44 2.211 2.769 1.519 1.00 24.00 H new ATOM 0 HB3 ALA B 44 3.835 3.225 0.950 1.00 24.00 H new ATOM 1678 N ALA B 45 6.140 1.569 1.608 1.00 64.12 N ATOM 1679 CA ALA B 45 7.425 1.111 1.094 1.00 50.35 C ATOM 1680 C ALA B 45 8.050 0.076 2.022 1.00 1.14 C ATOM 1681 O ALA B 45 8.885 -0.726 1.603 1.00 51.33 O ATOM 1682 CB ALA B 45 8.368 2.291 0.905 1.00 22.34 C ATOM 0 H ALA B 45 6.160 2.499 2.026 1.00 64.12 H new ATOM 0 HA ALA B 45 7.254 0.637 0.127 1.00 50.35 H new ATOM 0 HB1 ALA B 45 9.324 1.935 0.521 1.00 22.34 H new ATOM 0 HB2 ALA B 45 7.932 2.995 0.197 1.00 22.34 H new ATOM 0 HB3 ALA B 45 8.524 2.789 1.862 1.00 22.34 H new ATOM 1688 N LYS B 46 7.642 0.098 3.287 1.00 75.25 N ATOM 1689 CA LYS B 46 8.160 -0.839 4.275 1.00 12.52 C ATOM 1690 C LYS B 46 7.505 -2.207 4.125 1.00 21.44 C ATOM 1691 O LYS B 46 8.186 -3.232 4.071 1.00 13.24 O ATOM 1692 CB LYS B 46 7.926 -0.302 5.690 1.00 71.31 C ATOM 1693 CG LYS B 46 9.203 0.089 6.412 1.00 62.40 C ATOM 1694 CD LYS B 46 9.487 -0.836 7.583 1.00 22.22 C ATOM 1695 CE LYS B 46 10.311 -0.141 8.656 1.00 44.41 C ATOM 1696 NZ LYS B 46 9.602 -0.107 9.965 1.00 35.41 N ATOM 0 H LYS B 46 6.953 0.756 3.651 1.00 75.25 H new ATOM 0 HA LYS B 46 9.231 -0.949 4.107 1.00 12.52 H new ATOM 0 HB2 LYS B 46 7.269 0.566 5.636 1.00 71.31 H new ATOM 0 HB3 LYS B 46 7.405 -1.060 6.275 1.00 71.31 H new ATOM 0 HG2 LYS B 46 10.040 0.061 5.714 1.00 62.40 H new ATOM 0 HG3 LYS B 46 9.120 1.115 6.770 1.00 62.40 H new ATOM 0 HD2 LYS B 46 8.546 -1.181 8.012 1.00 22.22 H new ATOM 0 HD3 LYS B 46 10.019 -1.719 7.229 1.00 22.22 H new ATOM 0 HE2 LYS B 46 11.264 -0.657 8.773 1.00 44.41 H new ATOM 0 HE3 LYS B 46 10.536 0.877 8.338 1.00 44.41 H new ATOM 0 HZ1 LYS B 46 10.196 0.375 10.669 1.00 35.41 H new ATOM 0 HZ2 LYS B 46 8.704 0.407 9.860 1.00 35.41 H new ATOM 0 HZ3 LYS B 46 9.410 -1.079 10.281 1.00 35.41 H new ATOM 1710 N LYS B 47 6.178 -2.219 4.054 1.00 1.00 N ATOM 1711 CA LYS B 47 5.429 -3.462 3.906 1.00 44.12 C ATOM 1712 C LYS B 47 5.900 -4.236 2.679 1.00 32.53 C ATOM 1713 O LYS B 47 6.382 -5.364 2.793 1.00 71.12 O ATOM 1714 CB LYS B 47 3.932 -3.168 3.794 1.00 65.34 C ATOM 1715 CG LYS B 47 3.222 -3.103 5.135 1.00 30.12 C ATOM 1716 CD LYS B 47 3.453 -1.769 5.824 1.00 41.14 C ATOM 1717 CE LYS B 47 3.251 -1.876 7.328 1.00 70.12 C ATOM 1718 NZ LYS B 47 4.349 -2.641 7.982 1.00 55.35 N ATOM 0 H LYS B 47 5.598 -1.381 4.097 1.00 1.00 H new ATOM 0 HA LYS B 47 5.607 -4.074 4.790 1.00 44.12 H new ATOM 0 HB2 LYS B 47 3.795 -2.220 3.273 1.00 65.34 H new ATOM 0 HB3 LYS B 47 3.464 -3.939 3.182 1.00 65.34 H new ATOM 0 HG2 LYS B 47 2.153 -3.258 4.990 1.00 30.12 H new ATOM 0 HG3 LYS B 47 3.577 -3.911 5.775 1.00 30.12 H new ATOM 0 HD2 LYS B 47 4.465 -1.421 5.616 1.00 41.14 H new ATOM 0 HD3 LYS B 47 2.769 -1.024 5.416 1.00 41.14 H new ATOM 0 HE2 LYS B 47 3.198 -0.876 7.759 1.00 70.12 H new ATOM 0 HE3 LYS B 47 2.297 -2.363 7.533 1.00 70.12 H new ATOM 0 HZ1 LYS B 47 4.341 -2.454 9.005 1.00 55.35 H new ATOM 0 HZ2 LYS B 47 4.211 -3.658 7.815 1.00 55.35 H new ATOM 0 HZ3 LYS B 47 5.263 -2.346 7.583 1.00 55.35 H new ATOM 1732 N ALA B 48 5.757 -3.626 1.508 1.00 44.15 N ATOM 1733 CA ALA B 48 6.171 -4.258 0.262 1.00 62.44 C ATOM 1734 C ALA B 48 7.631 -4.694 0.325 1.00 54.15 C ATOM 1735 O ALA B 48 8.009 -5.714 -0.251 1.00 43.54 O ATOM 1736 CB ALA B 48 5.951 -3.311 -0.909 1.00 64.31 C ATOM 0 H ALA B 48 5.357 -2.694 1.396 1.00 44.15 H new ATOM 0 HA ALA B 48 5.560 -5.148 0.115 1.00 62.44 H new ATOM 0 HB1 ALA B 48 6.265 -3.796 -1.833 1.00 64.31 H new ATOM 0 HB2 ALA B 48 4.894 -3.053 -0.975 1.00 64.31 H new ATOM 0 HB3 ALA B 48 6.537 -2.404 -0.759 1.00 64.31 H new ATOM 1742 N GLU B 49 8.447 -3.914 1.027 1.00 51.55 N ATOM 1743 CA GLU B 49 9.866 -4.219 1.162 1.00 15.24 C ATOM 1744 C GLU B 49 10.072 -5.495 1.975 1.00 64.41 C ATOM 1745 O GLU B 49 10.896 -6.339 1.624 1.00 11.21 O ATOM 1746 CB GLU B 49 10.600 -3.053 1.829 1.00 34.22 C ATOM 1747 CG GLU B 49 12.046 -3.364 2.178 1.00 71.12 C ATOM 1748 CD GLU B 49 12.967 -2.181 1.956 1.00 53.23 C ATOM 1749 OE1 GLU B 49 12.818 -1.500 0.920 1.00 61.31 O ATOM 1750 OE2 GLU B 49 13.836 -1.934 2.819 1.00 34.34 O ATOM 0 H GLU B 49 8.150 -3.067 1.511 1.00 51.55 H new ATOM 0 HA GLU B 49 10.275 -4.373 0.164 1.00 15.24 H new ATOM 0 HB2 GLU B 49 10.573 -2.190 1.164 1.00 34.22 H new ATOM 0 HB3 GLU B 49 10.068 -2.772 2.738 1.00 34.22 H new ATOM 0 HG2 GLU B 49 12.105 -3.675 3.221 1.00 71.12 H new ATOM 0 HG3 GLU B 49 12.389 -4.205 1.575 1.00 71.12 H new ATOM 1758 N GLU B 50 9.317 -5.627 3.061 1.00 51.21 N ATOM 1759 CA GLU B 50 9.419 -6.798 3.923 1.00 34.41 C ATOM 1760 C GLU B 50 8.796 -8.020 3.255 1.00 32.40 C ATOM 1761 O GLU B 50 9.285 -9.141 3.405 1.00 32.31 O ATOM 1762 CB GLU B 50 8.734 -6.532 5.265 1.00 74.45 C ATOM 1763 CG GLU B 50 9.667 -5.977 6.327 1.00 25.22 C ATOM 1764 CD GLU B 50 10.846 -6.891 6.601 1.00 0.12 C ATOM 1765 OE1 GLU B 50 10.666 -8.125 6.541 1.00 64.33 O ATOM 1766 OE2 GLU B 50 11.948 -6.372 6.878 1.00 14.51 O ATOM 0 H GLU B 50 8.629 -4.938 3.364 1.00 51.21 H new ATOM 0 HA GLU B 50 10.476 -6.999 4.097 1.00 34.41 H new ATOM 0 HB2 GLU B 50 7.914 -5.830 5.112 1.00 74.45 H new ATOM 0 HB3 GLU B 50 8.295 -7.461 5.629 1.00 74.45 H new ATOM 0 HG2 GLU B 50 10.034 -5.001 6.009 1.00 25.22 H new ATOM 0 HG3 GLU B 50 9.109 -5.822 7.251 1.00 25.22 H new ATOM 1774 N LEU B 51 7.714 -7.798 2.518 1.00 44.24 N ATOM 1775 CA LEU B 51 7.023 -8.879 1.826 1.00 32.54 C ATOM 1776 C LEU B 51 7.828 -9.359 0.622 1.00 20.30 C ATOM 1777 O LEU B 51 7.768 -10.531 0.249 1.00 64.14 O ATOM 1778 CB LEU B 51 5.635 -8.420 1.376 1.00 65.33 C ATOM 1779 CG LEU B 51 4.522 -8.523 2.419 1.00 63.52 C ATOM 1780 CD1 LEU B 51 3.435 -7.497 2.142 1.00 53.25 C ATOM 1781 CD2 LEU B 51 3.938 -9.929 2.438 1.00 43.45 C ATOM 0 H LEU B 51 7.296 -6.877 2.384 1.00 44.24 H new ATOM 0 HA LEU B 51 6.915 -9.711 2.522 1.00 32.54 H new ATOM 0 HB2 LEU B 51 5.706 -7.382 1.051 1.00 65.33 H new ATOM 0 HB3 LEU B 51 5.345 -9.008 0.505 1.00 65.33 H new ATOM 0 HG LEU B 51 4.949 -8.314 3.400 1.00 63.52 H new ATOM 0 HD11 LEU B 51 2.651 -7.585 2.894 1.00 53.25 H new ATOM 0 HD12 LEU B 51 3.862 -6.495 2.179 1.00 53.25 H new ATOM 0 HD13 LEU B 51 3.011 -7.674 1.154 1.00 53.25 H new ATOM 0 HD21 LEU B 51 3.147 -9.984 3.186 1.00 43.45 H new ATOM 0 HD22 LEU B 51 3.526 -10.165 1.457 1.00 43.45 H new ATOM 0 HD23 LEU B 51 4.722 -10.645 2.685 1.00 43.45 H new ATOM 1793 N PHE B 52 8.583 -8.446 0.020 1.00 53.35 N ATOM 1794 CA PHE B 52 9.401 -8.775 -1.140 1.00 64.42 C ATOM 1795 C PHE B 52 10.371 -9.909 -0.818 1.00 75.52 C ATOM 1796 O PHE B 52 10.825 -10.625 -1.711 1.00 4.42 O ATOM 1797 CB PHE B 52 10.178 -7.544 -1.610 1.00 54.32 C ATOM 1798 CG PHE B 52 11.179 -7.841 -2.690 1.00 52.23 C ATOM 1799 CD1 PHE B 52 10.770 -8.011 -4.003 1.00 1.34 C ATOM 1800 CD2 PHE B 52 12.527 -7.950 -2.392 1.00 43.11 C ATOM 1801 CE1 PHE B 52 11.687 -8.284 -4.999 1.00 4.35 C ATOM 1802 CE2 PHE B 52 13.450 -8.223 -3.384 1.00 71.13 C ATOM 1803 CZ PHE B 52 13.030 -8.392 -4.690 1.00 55.53 C ATOM 0 H PHE B 52 8.645 -7.472 0.317 1.00 53.35 H new ATOM 0 HA PHE B 52 8.736 -9.104 -1.939 1.00 64.42 H new ATOM 0 HB2 PHE B 52 9.473 -6.797 -1.975 1.00 54.32 H new ATOM 0 HB3 PHE B 52 10.695 -7.104 -0.758 1.00 54.32 H new ATOM 0 HD1 PHE B 52 9.722 -7.929 -4.250 1.00 1.34 H new ATOM 0 HD2 PHE B 52 12.861 -7.820 -1.373 1.00 43.11 H new ATOM 0 HE1 PHE B 52 11.355 -8.413 -6.019 1.00 4.35 H new ATOM 0 HE2 PHE B 52 14.499 -8.304 -3.139 1.00 71.13 H new ATOM 0 HZ PHE B 52 13.749 -8.608 -5.467 1.00 55.53 H new ATOM 1813 N LYS B 53 10.683 -10.067 0.463 1.00 52.33 N ATOM 1814 CA LYS B 53 11.596 -11.113 0.905 1.00 15.43 C ATOM 1815 C LYS B 53 10.994 -12.495 0.676 1.00 60.13 C ATOM 1816 O LYS B 53 11.649 -13.386 0.133 1.00 61.22 O ATOM 1817 CB LYS B 53 11.932 -10.933 2.388 1.00 45.45 C ATOM 1818 CG LYS B 53 12.787 -12.050 2.959 1.00 53.32 C ATOM 1819 CD LYS B 53 11.933 -13.185 3.498 1.00 74.43 C ATOM 1820 CE LYS B 53 12.329 -13.555 4.919 1.00 21.45 C ATOM 1821 NZ LYS B 53 11.955 -12.495 5.893 1.00 13.43 N ATOM 0 H LYS B 53 10.316 -9.483 1.214 1.00 52.33 H new ATOM 0 HA LYS B 53 12.511 -11.032 0.318 1.00 15.43 H new ATOM 0 HB2 LYS B 53 12.452 -9.985 2.521 1.00 45.45 H new ATOM 0 HB3 LYS B 53 11.004 -10.870 2.957 1.00 45.45 H new ATOM 0 HG2 LYS B 53 13.454 -12.431 2.186 1.00 53.32 H new ATOM 0 HG3 LYS B 53 13.416 -11.656 3.757 1.00 53.32 H new ATOM 0 HD2 LYS B 53 10.883 -12.894 3.476 1.00 74.43 H new ATOM 0 HD3 LYS B 53 12.035 -14.057 2.852 1.00 74.43 H new ATOM 0 HE2 LYS B 53 11.846 -14.491 5.198 1.00 21.45 H new ATOM 0 HE3 LYS B 53 13.405 -13.726 4.963 1.00 21.45 H new ATOM 0 HZ1 LYS B 53 12.101 -12.846 6.861 1.00 13.43 H new ATOM 0 HZ2 LYS B 53 12.548 -11.655 5.736 1.00 13.43 H new ATOM 0 HZ3 LYS B 53 10.955 -12.242 5.764 1.00 13.43 H new ATOM 1835 N LEU B 54 9.743 -12.667 1.089 1.00 1.42 N ATOM 1836 CA LEU B 54 9.052 -13.940 0.926 1.00 73.42 C ATOM 1837 C LEU B 54 8.756 -14.215 -0.545 1.00 61.02 C ATOM 1838 O LEU B 54 8.624 -15.367 -0.957 1.00 25.14 O ATOM 1839 CB LEU B 54 7.749 -13.943 1.729 1.00 41.31 C ATOM 1840 CG LEU B 54 7.751 -14.781 3.007 1.00 14.34 C ATOM 1841 CD1 LEU B 54 8.101 -16.229 2.697 1.00 44.14 C ATOM 1842 CD2 LEU B 54 8.724 -14.202 4.025 1.00 74.33 C ATOM 0 H LEU B 54 9.187 -11.940 1.539 1.00 1.42 H new ATOM 0 HA LEU B 54 9.704 -14.729 1.300 1.00 73.42 H new ATOM 0 HB2 LEU B 54 7.506 -12.914 1.994 1.00 41.31 H new ATOM 0 HB3 LEU B 54 6.948 -14.303 1.083 1.00 41.31 H new ATOM 0 HG LEU B 54 6.749 -14.754 3.436 1.00 14.34 H new ATOM 0 HD11 LEU B 54 8.097 -16.810 3.619 1.00 44.14 H new ATOM 0 HD12 LEU B 54 7.366 -16.641 2.006 1.00 44.14 H new ATOM 0 HD13 LEU B 54 9.091 -16.275 2.243 1.00 44.14 H new ATOM 0 HD21 LEU B 54 8.711 -14.812 4.928 1.00 74.33 H new ATOM 0 HD22 LEU B 54 9.730 -14.196 3.605 1.00 74.33 H new ATOM 0 HD23 LEU B 54 8.428 -13.182 4.272 1.00 74.33 H new ATOM 1854 N ALA B 55 8.655 -13.150 -1.332 1.00 41.42 N ATOM 1855 CA ALA B 55 8.380 -13.275 -2.758 1.00 75.11 C ATOM 1856 C ALA B 55 9.404 -14.179 -3.437 1.00 54.44 C ATOM 1857 O ALA B 55 9.114 -14.802 -4.457 1.00 32.14 O ATOM 1858 CB ALA B 55 8.364 -11.904 -3.415 1.00 43.03 C ATOM 0 H ALA B 55 8.760 -12.189 -1.006 1.00 41.42 H new ATOM 0 HA ALA B 55 7.397 -13.732 -2.875 1.00 75.11 H new ATOM 0 HB1 ALA B 55 8.157 -12.013 -4.480 1.00 43.03 H new ATOM 0 HB2 ALA B 55 7.589 -11.290 -2.956 1.00 43.03 H new ATOM 0 HB3 ALA B 55 9.334 -11.425 -3.281 1.00 43.03 H new ATOM 1864 N GLU B 56 10.602 -14.243 -2.864 1.00 12.20 N ATOM 1865 CA GLU B 56 11.669 -15.069 -3.416 1.00 14.11 C ATOM 1866 C GLU B 56 11.437 -16.543 -3.095 1.00 72.44 C ATOM 1867 O GLU B 56 11.824 -17.424 -3.864 1.00 53.51 O ATOM 1868 CB GLU B 56 13.025 -14.623 -2.867 1.00 21.24 C ATOM 1869 CG GLU B 56 13.152 -13.118 -2.705 1.00 71.32 C ATOM 1870 CD GLU B 56 12.835 -12.365 -3.983 1.00 22.01 C ATOM 1871 OE1 GLU B 56 13.744 -12.223 -4.827 1.00 74.32 O ATOM 1872 OE2 GLU B 56 11.679 -11.920 -4.137 1.00 44.44 O ATOM 0 H GLU B 56 10.858 -13.733 -2.018 1.00 12.20 H new ATOM 0 HA GLU B 56 11.666 -14.946 -4.499 1.00 14.11 H new ATOM 0 HB2 GLU B 56 13.190 -15.099 -1.900 1.00 21.24 H new ATOM 0 HB3 GLU B 56 13.811 -14.976 -3.535 1.00 21.24 H new ATOM 0 HG2 GLU B 56 12.480 -12.783 -1.914 1.00 71.32 H new ATOM 0 HG3 GLU B 56 14.166 -12.875 -2.386 1.00 71.32 H new ATOM 1880 N GLU B 57 10.804 -16.802 -1.956 1.00 73.54 N ATOM 1881 CA GLU B 57 10.522 -18.169 -1.533 1.00 55.15 C ATOM 1882 C GLU B 57 9.636 -18.882 -2.552 1.00 11.54 C ATOM 1883 O GLU B 57 9.886 -20.034 -2.908 1.00 53.43 O ATOM 1884 CB GLU B 57 9.843 -18.173 -0.162 1.00 4.44 C ATOM 1885 CG GLU B 57 9.355 -19.544 0.272 1.00 31.34 C ATOM 1886 CD GLU B 57 9.861 -19.936 1.647 1.00 72.34 C ATOM 1887 OE1 GLU B 57 11.066 -19.742 1.913 1.00 31.41 O ATOM 1888 OE2 GLU B 57 9.053 -20.438 2.457 1.00 62.21 O ATOM 0 H GLU B 57 10.477 -16.084 -1.310 1.00 73.54 H new ATOM 0 HA GLU B 57 11.470 -18.703 -1.463 1.00 55.15 H new ATOM 0 HB2 GLU B 57 10.544 -17.794 0.582 1.00 4.44 H new ATOM 0 HB3 GLU B 57 8.997 -17.486 -0.183 1.00 4.44 H new ATOM 0 HG2 GLU B 57 8.265 -19.554 0.274 1.00 31.34 H new ATOM 0 HG3 GLU B 57 9.679 -20.288 -0.456 1.00 31.34 H new ATOM 1896 N ARG B 58 8.601 -18.188 -3.016 1.00 0.13 N ATOM 1897 CA ARG B 58 7.678 -18.755 -3.991 1.00 1.24 C ATOM 1898 C ARG B 58 8.269 -18.697 -5.396 1.00 60.45 C ATOM 1899 O ARG B 58 7.914 -19.495 -6.264 1.00 64.21 O ATOM 1900 CB ARG B 58 6.343 -18.008 -3.956 1.00 1.31 C ATOM 1901 CG ARG B 58 5.598 -18.154 -2.639 1.00 44.30 C ATOM 1902 CD ARG B 58 5.910 -17.004 -1.692 1.00 22.14 C ATOM 1903 NE ARG B 58 6.150 -17.470 -0.328 1.00 42.35 N ATOM 1904 CZ ARG B 58 5.205 -17.987 0.448 1.00 61.33 C ATOM 1905 NH1 ARG B 58 3.964 -18.107 -0.003 1.00 32.21 N ATOM 1906 NH2 ARG B 58 5.500 -18.387 1.678 1.00 22.30 N ATOM 0 H ARG B 58 8.381 -17.233 -2.732 1.00 0.13 H new ATOM 0 HA ARG B 58 7.509 -19.800 -3.729 1.00 1.24 H new ATOM 0 HB2 ARG B 58 6.523 -16.950 -4.146 1.00 1.31 H new ATOM 0 HB3 ARG B 58 5.710 -18.374 -4.764 1.00 1.31 H new ATOM 0 HG2 ARG B 58 4.525 -18.190 -2.829 1.00 44.30 H new ATOM 0 HG3 ARG B 58 5.870 -19.099 -2.168 1.00 44.30 H new ATOM 0 HD2 ARG B 58 6.787 -16.466 -2.051 1.00 22.14 H new ATOM 0 HD3 ARG B 58 5.080 -16.297 -1.693 1.00 22.14 H new ATOM 0 HE ARG B 58 7.095 -17.394 0.048 1.00 42.35 H new ATOM 0 HH11 ARG B 58 3.733 -17.802 -0.948 1.00 32.21 H new ATOM 0 HH12 ARG B 58 3.240 -18.505 0.596 1.00 32.21 H new ATOM 0 HH21 ARG B 58 6.454 -18.297 2.028 1.00 22.30 H new ATOM 0 HH22 ARG B 58 4.773 -18.784 2.273 1.00 22.30 H new ATOM 1920 N LEU B 59 9.171 -17.746 -5.614 1.00 30.21 N ATOM 1921 CA LEU B 59 9.811 -17.582 -6.914 1.00 25.23 C ATOM 1922 C LEU B 59 11.003 -18.525 -7.058 1.00 74.42 C ATOM 1923 O LEU B 59 10.938 -19.519 -7.782 1.00 44.22 O ATOM 1924 CB LEU B 59 10.268 -16.134 -7.102 1.00 33.43 C ATOM 1925 CG LEU B 59 10.793 -15.771 -8.491 1.00 61.14 C ATOM 1926 CD1 LEU B 59 12.225 -16.252 -8.664 1.00 1.22 C ATOM 1927 CD2 LEU B 59 9.897 -16.360 -9.571 1.00 73.13 C ATOM 0 H LEU B 59 9.475 -17.077 -4.907 1.00 30.21 H new ATOM 0 HA LEU B 59 9.080 -17.829 -7.684 1.00 25.23 H new ATOM 0 HB2 LEU B 59 9.430 -15.477 -6.869 1.00 33.43 H new ATOM 0 HB3 LEU B 59 11.051 -15.924 -6.373 1.00 33.43 H new ATOM 0 HG LEU B 59 10.782 -14.686 -8.589 1.00 61.14 H new ATOM 0 HD11 LEU B 59 12.581 -15.984 -9.659 1.00 1.22 H new ATOM 0 HD12 LEU B 59 12.860 -15.782 -7.913 1.00 1.22 H new ATOM 0 HD13 LEU B 59 12.262 -17.335 -8.545 1.00 1.22 H new ATOM 0 HD21 LEU B 59 10.286 -16.091 -10.553 1.00 73.13 H new ATOM 0 HD22 LEU B 59 9.875 -17.445 -9.474 1.00 73.13 H new ATOM 0 HD23 LEU B 59 8.887 -15.966 -9.461 1.00 73.13 H new ATOM 1939 N LYS B 60 12.088 -18.208 -6.361 1.00 21.12 N ATOM 1940 CA LYS B 60 13.294 -19.027 -6.407 1.00 33.45 C ATOM 1941 C LYS B 60 13.427 -19.869 -5.142 1.00 12.14 C ATOM 1942 O LYS B 60 12.538 -19.876 -4.290 1.00 60.43 O ATOM 1943 CB LYS B 60 14.531 -18.143 -6.578 1.00 34.12 C ATOM 1944 CG LYS B 60 14.646 -17.051 -5.529 1.00 44.11 C ATOM 1945 CD LYS B 60 14.698 -15.671 -6.165 1.00 2.25 C ATOM 1946 CE LYS B 60 15.692 -14.767 -5.451 1.00 70.05 C ATOM 1947 NZ LYS B 60 17.076 -14.944 -5.972 1.00 14.32 N ATOM 0 H LYS B 60 12.158 -17.389 -5.757 1.00 21.12 H new ATOM 0 HA LYS B 60 13.215 -19.698 -7.263 1.00 33.45 H new ATOM 0 HB2 LYS B 60 15.423 -18.769 -6.539 1.00 34.12 H new ATOM 0 HB3 LYS B 60 14.506 -17.685 -7.567 1.00 34.12 H new ATOM 0 HG2 LYS B 60 13.796 -17.108 -4.849 1.00 44.11 H new ATOM 0 HG3 LYS B 60 15.544 -17.212 -4.932 1.00 44.11 H new ATOM 0 HD2 LYS B 60 14.977 -15.763 -7.215 1.00 2.25 H new ATOM 0 HD3 LYS B 60 13.707 -15.218 -6.137 1.00 2.25 H new ATOM 0 HE2 LYS B 60 15.389 -13.727 -5.572 1.00 70.05 H new ATOM 0 HE3 LYS B 60 15.676 -14.982 -4.383 1.00 70.05 H new ATOM 0 HZ1 LYS B 60 17.723 -14.311 -5.460 1.00 14.32 H new ATOM 0 HZ2 LYS B 60 17.375 -15.930 -5.834 1.00 14.32 H new ATOM 0 HZ3 LYS B 60 17.097 -14.714 -6.986 1.00 14.32 H new ATOM 1961 N LYS B 61 14.546 -20.577 -5.023 1.00 34.34 N ATOM 1962 CA LYS B 61 14.798 -21.421 -3.861 1.00 4.52 C ATOM 1963 C LYS B 61 15.692 -20.704 -2.853 1.00 34.12 C ATOM 1964 O LYS B 61 15.656 -20.998 -1.657 1.00 40.14 O ATOM 1965 CB LYS B 61 15.450 -22.736 -4.292 1.00 2.11 C ATOM 1966 CG LYS B 61 15.261 -23.864 -3.292 1.00 14.13 C ATOM 1967 CD LYS B 61 15.419 -25.225 -3.950 1.00 70.01 C ATOM 1968 CE LYS B 61 16.679 -25.932 -3.473 1.00 74.04 C ATOM 1969 NZ LYS B 61 16.941 -27.179 -4.244 1.00 55.25 N ATOM 0 H LYS B 61 15.293 -20.583 -5.718 1.00 34.34 H new ATOM 0 HA LYS B 61 13.842 -21.636 -3.384 1.00 4.52 H new ATOM 0 HB2 LYS B 61 15.035 -23.040 -5.253 1.00 2.11 H new ATOM 0 HB3 LYS B 61 16.517 -22.571 -4.443 1.00 2.11 H new ATOM 0 HG2 LYS B 61 15.987 -23.762 -2.486 1.00 14.13 H new ATOM 0 HG3 LYS B 61 14.272 -23.790 -2.841 1.00 14.13 H new ATOM 0 HD2 LYS B 61 14.548 -25.841 -3.727 1.00 70.01 H new ATOM 0 HD3 LYS B 61 15.456 -25.105 -5.033 1.00 70.01 H new ATOM 0 HE2 LYS B 61 17.531 -25.260 -3.570 1.00 74.04 H new ATOM 0 HE3 LYS B 61 16.581 -26.173 -2.415 1.00 74.04 H new ATOM 0 HZ1 LYS B 61 17.808 -27.631 -3.889 1.00 55.25 H new ATOM 0 HZ2 LYS B 61 16.139 -27.832 -4.132 1.00 55.25 H new ATOM 0 HZ3 LYS B 61 17.060 -26.946 -5.251 1.00 55.25 H new ATOM 1983 N LEU B 62 16.491 -19.763 -3.342 1.00 41.23 N ATOM 1984 CA LEU B 62 17.394 -19.003 -2.484 1.00 20.30 C ATOM 1985 C LEU B 62 18.431 -19.917 -1.840 1.00 22.23 C ATOM 1986 O LEU B 62 19.229 -19.446 -1.032 1.00 53.21 O ATOM 1987 CB LEU B 62 16.601 -18.269 -1.401 1.00 73.01 C ATOM 1988 CG LEU B 62 16.690 -16.743 -1.423 1.00 62.33 C ATOM 1989 CD1 LEU B 62 15.612 -16.132 -0.541 1.00 74.21 C ATOM 1990 CD2 LEU B 62 18.070 -16.282 -0.976 1.00 60.22 C ATOM 0 H LEU B 62 16.532 -19.507 -4.329 1.00 41.23 H new ATOM 0 HA LEU B 62 17.915 -18.272 -3.102 1.00 20.30 H new ATOM 0 HB2 LEU B 62 15.553 -18.553 -1.491 1.00 73.01 H new ATOM 0 HB3 LEU B 62 16.944 -18.619 -0.427 1.00 73.01 H new ATOM 0 HG LEU B 62 16.529 -16.405 -2.447 1.00 62.33 H new ATOM 0 HD11 LEU B 62 15.691 -15.045 -0.569 1.00 74.21 H new ATOM 0 HD12 LEU B 62 14.630 -16.434 -0.905 1.00 74.21 H new ATOM 0 HD13 LEU B 62 15.741 -16.479 0.484 1.00 74.21 H new ATOM 0 HD21 LEU B 62 18.115 -15.193 -0.998 1.00 60.22 H new ATOM 0 HD22 LEU B 62 18.260 -16.633 0.039 1.00 60.22 H new ATOM 0 HD23 LEU B 62 18.825 -16.690 -1.648 1.00 60.22 H new