USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 TYR OH : rot 28:sc= 1.01 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 154:sc= 1.33 (180deg=-0.0686) USER MOD Set 2.1: A 29 SER OG : rot -21:sc= 2.46 USER MOD Set 2.2: A 30 HIS : no HE2:sc= 0.0782 K(o=2.8,f=-9.3!) USER MOD Set 2.3: A 54 LYS NZ :NH3+ -113:sc= 0.312 (180deg=-3.14!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0.355 (180deg=0.337) USER MOD Single : A 14 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.9!) USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= -0.147 (180deg=-0.975) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.53 K(o=0.53,f=-0.99) USER MOD Single : A 35 THR OG1 : rot -73:sc= 0.35 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0293 X(o=-0.029,f=-0.11) USER MOD Single : A 62 LYS NZ :NH3+ 145:sc= -0.121 (180deg=-0.909) USER MOD Single : A 64 THR OG1 : rot 91:sc= 0.905 USER MOD Single : A 65 SER OG : rot -146:sc= 1.87 USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= 1.25 (180deg=-0.345) USER MOD Single : A 70 MET CE :methyl -136:sc=-0.00291 (180deg=-1.99!) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= -0.385 (180deg=-1.22!) USER MOD Single : A 73 TYR OH : rot -95:sc= -1.8! USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 0.977 (180deg=0.403) USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0296) USER MOD Single : A 82 LYS NZ :NH3+ -124:sc= 2.24 (180deg=-0.988) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc=-0.00482 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 4.083 7.462 10.471 1.00 1.04 N ATOM 32 CA ALA A 3 3.266 7.681 11.708 1.00 0.94 C ATOM 33 C ALA A 3 4.146 8.339 12.793 1.00 0.72 C ATOM 34 O ALA A 3 3.793 9.340 13.370 1.00 0.77 O ATOM 35 CB ALA A 3 2.739 6.310 12.145 1.00 0.94 C ATOM 0 HA ALA A 3 2.425 8.351 11.531 1.00 0.94 H new ATOM 0 HB1 ALA A 3 2.136 6.422 13.046 1.00 0.94 H new ATOM 0 HB2 ALA A 3 2.127 5.885 11.349 1.00 0.94 H new ATOM 0 HB3 ALA A 3 3.579 5.646 12.351 1.00 0.94 H new ATOM 41 N GLU A 4 5.281 7.739 13.035 1.00 0.51 N ATOM 42 CA GLU A 4 6.249 8.262 14.060 1.00 0.32 C ATOM 43 C GLU A 4 6.666 9.732 13.790 1.00 0.39 C ATOM 44 O GLU A 4 6.981 10.502 14.676 1.00 0.53 O ATOM 45 CB GLU A 4 7.512 7.408 14.056 1.00 0.14 C ATOM 46 CG GLU A 4 7.229 5.843 14.192 1.00 0.41 C ATOM 47 CD GLU A 4 7.179 5.031 12.893 1.00 1.83 C ATOM 48 OE1 GLU A 4 6.393 5.374 12.029 1.00 4.11 O ATOM 49 OE2 GLU A 4 7.930 4.075 12.787 1.00 1.24 O ATOM 0 H GLU A 4 5.589 6.891 12.559 1.00 0.51 H new ATOM 0 HA GLU A 4 5.740 8.218 15.023 1.00 0.32 H new ATOM 0 HB2 GLU A 4 8.060 7.590 13.132 1.00 0.14 H new ATOM 0 HB3 GLU A 4 8.156 7.724 14.876 1.00 0.14 H new ATOM 0 HG2 GLU A 4 8.000 5.413 14.831 1.00 0.41 H new ATOM 0 HG3 GLU A 4 6.278 5.714 14.709 1.00 0.41 H new ATOM 56 N PHE A 5 6.661 10.066 12.538 1.00 0.38 N ATOM 57 CA PHE A 5 7.039 11.448 12.087 1.00 0.42 C ATOM 58 C PHE A 5 5.840 12.352 12.321 1.00 0.45 C ATOM 59 O PHE A 5 5.972 13.355 12.987 1.00 0.40 O ATOM 60 CB PHE A 5 7.393 11.404 10.614 1.00 0.42 C ATOM 61 CG PHE A 5 7.599 12.825 10.086 1.00 0.40 C ATOM 62 CD1 PHE A 5 8.807 13.473 10.182 1.00 2.52 C ATOM 63 CD2 PHE A 5 6.541 13.468 9.494 1.00 2.28 C ATOM 64 CE1 PHE A 5 8.948 14.754 9.682 1.00 2.50 C ATOM 65 CE2 PHE A 5 6.666 14.728 9.001 1.00 2.31 C ATOM 66 CZ PHE A 5 7.866 15.375 9.089 1.00 0.34 C ATOM 0 H PHE A 5 6.406 9.431 11.781 1.00 0.38 H new ATOM 0 HA PHE A 5 7.900 11.826 12.639 1.00 0.42 H new ATOM 0 HB2 PHE A 5 8.299 10.817 10.466 1.00 0.42 H new ATOM 0 HB3 PHE A 5 6.598 10.910 10.055 1.00 0.42 H new ATOM 0 HD1 PHE A 5 9.647 12.981 10.649 1.00 2.52 H new ATOM 0 HD2 PHE A 5 5.590 12.962 9.418 1.00 2.28 H new ATOM 0 HE1 PHE A 5 9.897 15.265 9.754 1.00 2.50 H new ATOM 0 HE2 PHE A 5 5.820 15.216 8.541 1.00 2.31 H new ATOM 0 HZ PHE A 5 7.969 16.375 8.694 1.00 0.34 H new ATOM 76 N ASP A 6 4.708 12.010 11.771 1.00 0.52 N ATOM 77 CA ASP A 6 3.465 12.797 11.933 1.00 0.54 C ATOM 78 C ASP A 6 3.365 13.023 13.436 1.00 0.57 C ATOM 79 O ASP A 6 3.193 14.109 13.946 1.00 0.61 O ATOM 80 CB ASP A 6 2.390 11.923 11.372 1.00 0.51 C ATOM 81 CG ASP A 6 2.658 11.484 9.935 1.00 0.57 C ATOM 82 OD1 ASP A 6 3.677 11.782 9.334 1.00 2.20 O ATOM 83 OD2 ASP A 6 1.759 10.813 9.481 1.00 1.41 O ATOM 0 H ASP A 6 4.596 11.178 11.191 1.00 0.52 H new ATOM 0 HA ASP A 6 3.410 13.763 11.432 1.00 0.54 H new ATOM 0 HB2 ASP A 6 2.285 11.039 12.001 1.00 0.51 H new ATOM 0 HB3 ASP A 6 1.440 12.457 11.411 1.00 0.51 H new ATOM 88 N LYS A 7 3.497 11.916 14.116 1.00 0.55 N ATOM 89 CA LYS A 7 3.448 11.917 15.589 1.00 0.54 C ATOM 90 C LYS A 7 4.465 12.983 15.976 1.00 0.58 C ATOM 91 O LYS A 7 4.077 13.897 16.655 1.00 0.66 O ATOM 92 CB LYS A 7 3.880 10.560 16.150 1.00 0.60 C ATOM 93 CG LYS A 7 3.877 10.624 17.710 1.00 0.80 C ATOM 94 CD LYS A 7 5.029 9.730 18.282 1.00 1.72 C ATOM 95 CE LYS A 7 5.651 10.471 19.470 1.00 4.11 C ATOM 96 NZ LYS A 7 6.953 9.820 19.821 1.00 4.79 N ATOM 0 H LYS A 7 3.639 10.998 13.695 1.00 0.55 H new ATOM 0 HA LYS A 7 2.447 12.108 15.975 1.00 0.54 H new ATOM 0 HB2 LYS A 7 3.203 9.778 15.805 1.00 0.60 H new ATOM 0 HB3 LYS A 7 4.875 10.303 15.787 1.00 0.60 H new ATOM 0 HG2 LYS A 7 4.006 11.655 18.041 1.00 0.80 H new ATOM 0 HG3 LYS A 7 2.916 10.284 18.095 1.00 0.80 H new ATOM 0 HD2 LYS A 7 4.640 8.762 18.597 1.00 1.72 H new ATOM 0 HD3 LYS A 7 5.780 9.538 17.516 1.00 1.72 H new ATOM 0 HE2 LYS A 7 5.810 11.520 19.219 1.00 4.11 H new ATOM 0 HE3 LYS A 7 4.975 10.447 20.325 1.00 4.11 H new ATOM 0 HZ1 LYS A 7 7.383 10.317 20.627 1.00 4.79 H new ATOM 0 HZ2 LYS A 7 6.786 8.826 20.076 1.00 4.79 H new ATOM 0 HZ3 LYS A 7 7.595 9.865 19.004 1.00 4.79 H new ATOM 110 N ALA A 8 5.706 12.905 15.560 1.00 0.54 N ATOM 111 CA ALA A 8 6.626 14.003 16.003 1.00 0.58 C ATOM 112 C ALA A 8 6.070 15.424 15.724 1.00 0.60 C ATOM 113 O ALA A 8 6.094 16.311 16.556 1.00 0.68 O ATOM 114 CB ALA A 8 7.975 13.742 15.298 1.00 0.54 C ATOM 0 H ALA A 8 6.106 12.177 14.969 1.00 0.54 H new ATOM 0 HA ALA A 8 6.741 13.986 17.087 1.00 0.58 H new ATOM 0 HB1 ALA A 8 8.690 14.514 15.583 1.00 0.54 H new ATOM 0 HB2 ALA A 8 8.358 12.765 15.595 1.00 0.54 H new ATOM 0 HB3 ALA A 8 7.831 13.762 14.218 1.00 0.54 H new ATOM 120 N ALA A 9 5.568 15.584 14.544 1.00 0.55 N ATOM 121 CA ALA A 9 4.994 16.901 14.109 1.00 0.52 C ATOM 122 C ALA A 9 3.847 17.343 15.026 1.00 0.39 C ATOM 123 O ALA A 9 3.719 18.504 15.398 1.00 0.54 O ATOM 124 CB ALA A 9 4.522 16.743 12.664 1.00 0.57 C ATOM 0 H ALA A 9 5.524 14.849 13.838 1.00 0.55 H new ATOM 0 HA ALA A 9 5.753 17.681 14.174 1.00 0.52 H new ATOM 0 HB1 ALA A 9 4.098 17.684 12.315 1.00 0.57 H new ATOM 0 HB2 ALA A 9 5.368 16.470 12.033 1.00 0.57 H new ATOM 0 HB3 ALA A 9 3.763 15.962 12.612 1.00 0.57 H new ATOM 130 N GLU A 10 3.022 16.410 15.397 1.00 0.17 N ATOM 131 CA GLU A 10 1.894 16.776 16.286 1.00 0.09 C ATOM 132 C GLU A 10 2.466 16.942 17.678 1.00 0.20 C ATOM 133 O GLU A 10 2.051 17.860 18.357 1.00 0.18 O ATOM 134 CB GLU A 10 0.839 15.657 16.167 1.00 0.10 C ATOM 135 CG GLU A 10 0.382 15.571 14.651 1.00 2.72 C ATOM 136 CD GLU A 10 0.461 16.927 13.944 1.00 4.16 C ATOM 137 OE1 GLU A 10 -0.495 17.668 14.067 1.00 5.26 O ATOM 138 OE2 GLU A 10 1.493 17.157 13.334 1.00 5.21 O ATOM 0 H GLU A 10 3.078 15.427 15.129 1.00 0.17 H new ATOM 0 HA GLU A 10 1.401 17.712 16.023 1.00 0.09 H new ATOM 0 HB2 GLU A 10 1.256 14.704 16.494 1.00 0.10 H new ATOM 0 HB3 GLU A 10 -0.015 15.869 16.811 1.00 0.10 H new ATOM 0 HG2 GLU A 10 1.010 14.852 14.125 1.00 2.72 H new ATOM 0 HG3 GLU A 10 -0.641 15.197 14.602 1.00 2.72 H new ATOM 145 N GLU A 11 3.378 16.101 18.102 1.00 0.31 N ATOM 146 CA GLU A 11 3.966 16.252 19.449 1.00 0.45 C ATOM 147 C GLU A 11 4.417 17.724 19.535 1.00 0.30 C ATOM 148 O GLU A 11 4.040 18.436 20.444 1.00 0.13 O ATOM 149 CB GLU A 11 5.202 15.363 19.597 1.00 0.94 C ATOM 150 CG GLU A 11 5.063 13.807 19.560 1.00 1.67 C ATOM 151 CD GLU A 11 4.280 13.189 20.709 1.00 0.62 C ATOM 152 OE1 GLU A 11 4.594 13.561 21.826 1.00 1.34 O ATOM 153 OE2 GLU A 11 3.436 12.370 20.382 1.00 1.85 O ATOM 0 H GLU A 11 3.736 15.314 17.561 1.00 0.31 H new ATOM 0 HA GLU A 11 3.250 15.975 20.223 1.00 0.45 H new ATOM 0 HB2 GLU A 11 5.898 15.644 18.806 1.00 0.94 H new ATOM 0 HB3 GLU A 11 5.674 15.622 20.544 1.00 0.94 H new ATOM 0 HG2 GLU A 11 4.582 13.525 18.623 1.00 1.67 H new ATOM 0 HG3 GLU A 11 6.062 13.371 19.549 1.00 1.67 H new ATOM 160 N VAL A 12 5.213 18.142 18.574 1.00 0.60 N ATOM 161 CA VAL A 12 5.702 19.557 18.586 1.00 0.84 C ATOM 162 C VAL A 12 4.515 20.491 18.693 1.00 0.86 C ATOM 163 O VAL A 12 4.517 21.325 19.577 1.00 1.02 O ATOM 164 CB VAL A 12 6.547 19.810 17.291 1.00 1.07 C ATOM 165 CG1 VAL A 12 5.905 20.721 16.213 1.00 1.16 C ATOM 166 CG2 VAL A 12 7.878 20.446 17.711 1.00 1.14 C ATOM 0 H VAL A 12 5.540 17.572 17.794 1.00 0.60 H new ATOM 0 HA VAL A 12 6.345 19.745 19.446 1.00 0.84 H new ATOM 0 HB VAL A 12 6.647 18.832 16.820 1.00 1.07 H new ATOM 0 HG11 VAL A 12 6.586 20.819 15.367 1.00 1.16 H new ATOM 0 HG12 VAL A 12 4.967 20.280 15.875 1.00 1.16 H new ATOM 0 HG13 VAL A 12 5.710 21.706 16.638 1.00 1.16 H new ATOM 0 HG21 VAL A 12 8.487 20.633 16.827 1.00 1.14 H new ATOM 0 HG22 VAL A 12 7.685 21.388 18.225 1.00 1.14 H new ATOM 0 HG23 VAL A 12 8.409 19.770 18.381 1.00 1.14 H new ATOM 176 N LYS A 13 3.531 20.365 17.835 1.00 0.84 N ATOM 177 CA LYS A 13 2.356 21.298 17.968 1.00 1.19 C ATOM 178 C LYS A 13 1.741 21.359 19.394 1.00 0.96 C ATOM 179 O LYS A 13 0.951 22.239 19.669 1.00 0.97 O ATOM 180 CB LYS A 13 1.282 20.871 16.969 1.00 1.51 C ATOM 181 CG LYS A 13 1.822 21.058 15.544 1.00 1.48 C ATOM 182 CD LYS A 13 0.746 20.493 14.606 1.00 1.80 C ATOM 183 CE LYS A 13 1.211 20.388 13.157 1.00 4.51 C ATOM 184 NZ LYS A 13 2.408 19.495 13.063 1.00 6.56 N ATOM 0 H LYS A 13 3.483 19.686 17.075 1.00 0.84 H new ATOM 0 HA LYS A 13 2.728 22.302 17.763 1.00 1.19 H new ATOM 0 HB2 LYS A 13 1.007 19.829 17.134 1.00 1.51 H new ATOM 0 HB3 LYS A 13 0.379 21.465 17.110 1.00 1.51 H new ATOM 0 HG2 LYS A 13 2.010 22.111 15.333 1.00 1.48 H new ATOM 0 HG3 LYS A 13 2.768 20.533 15.413 1.00 1.48 H new ATOM 0 HD2 LYS A 13 0.448 19.506 14.958 1.00 1.80 H new ATOM 0 HD3 LYS A 13 -0.138 21.129 14.652 1.00 1.80 H new ATOM 0 HE2 LYS A 13 0.406 19.996 12.536 1.00 4.51 H new ATOM 0 HE3 LYS A 13 1.456 21.378 12.773 1.00 4.51 H new ATOM 0 HZ1 LYS A 13 2.737 19.458 12.077 1.00 6.56 H new ATOM 0 HZ2 LYS A 13 3.168 19.868 13.667 1.00 6.56 H new ATOM 0 HZ3 LYS A 13 2.153 18.538 13.379 1.00 6.56 H new ATOM 198 N HIS A 14 2.119 20.438 20.242 1.00 0.79 N ATOM 199 CA HIS A 14 1.596 20.397 21.647 1.00 0.61 C ATOM 200 C HIS A 14 2.693 20.556 22.720 1.00 0.42 C ATOM 201 O HIS A 14 2.426 20.211 23.853 1.00 0.20 O ATOM 202 CB HIS A 14 0.864 19.053 21.907 1.00 0.69 C ATOM 203 CG HIS A 14 -0.314 18.900 20.970 1.00 0.94 C ATOM 204 ND1 HIS A 14 -0.177 18.494 19.768 1.00 0.73 N ATOM 205 CD2 HIS A 14 -1.670 19.119 21.109 1.00 1.38 C ATOM 206 CE1 HIS A 14 -1.327 18.449 19.177 1.00 1.00 C ATOM 207 NE2 HIS A 14 -2.289 18.834 19.979 1.00 1.40 N ATOM 0 H HIS A 14 2.782 19.696 20.018 1.00 0.79 H new ATOM 0 HA HIS A 14 0.917 21.246 21.732 1.00 0.61 H new ATOM 0 HB2 HIS A 14 1.556 18.223 21.769 1.00 0.69 H new ATOM 0 HB3 HIS A 14 0.521 19.013 22.941 1.00 0.69 H new ATOM 0 HD1 HIS A 14 0.711 18.241 19.335 1.00 0.73 H new ATOM 0 HD2 HIS A 14 -2.152 19.471 22.009 1.00 1.38 H new ATOM 0 HE1 HIS A 14 -1.475 18.135 18.154 1.00 1.00 H new ATOM 215 N LEU A 15 3.867 21.053 22.408 1.00 0.88 N ATOM 216 CA LEU A 15 4.877 21.183 23.520 1.00 1.32 C ATOM 217 C LEU A 15 4.374 22.252 24.516 1.00 1.67 C ATOM 218 O LEU A 15 3.843 23.264 24.093 1.00 1.77 O ATOM 219 CB LEU A 15 6.224 21.636 22.936 1.00 1.94 C ATOM 220 CG LEU A 15 6.815 20.556 22.038 1.00 1.94 C ATOM 221 CD1 LEU A 15 8.039 21.146 21.327 1.00 2.58 C ATOM 222 CD2 LEU A 15 7.306 19.393 22.906 1.00 2.26 C ATOM 0 H LEU A 15 4.165 21.362 21.483 1.00 0.88 H new ATOM 0 HA LEU A 15 5.003 20.225 24.024 1.00 1.32 H new ATOM 0 HB2 LEU A 15 6.088 22.555 22.366 1.00 1.94 H new ATOM 0 HB3 LEU A 15 6.918 21.863 23.745 1.00 1.94 H new ATOM 0 HG LEU A 15 6.064 20.212 21.327 1.00 1.94 H new ATOM 0 HD11 LEU A 15 8.481 20.391 20.677 1.00 2.58 H new ATOM 0 HD12 LEU A 15 7.734 22.005 20.730 1.00 2.58 H new ATOM 0 HD13 LEU A 15 8.773 21.461 22.068 1.00 2.58 H new ATOM 0 HD21 LEU A 15 7.730 18.617 22.269 1.00 2.26 H new ATOM 0 HD22 LEU A 15 8.069 19.752 23.597 1.00 2.26 H new ATOM 0 HD23 LEU A 15 6.469 18.982 23.471 1.00 2.26 H new ATOM 234 N LYS A 16 4.551 22.039 25.796 1.00 1.97 N ATOM 235 CA LYS A 16 4.073 23.058 26.766 1.00 2.47 C ATOM 236 C LYS A 16 5.208 24.045 27.080 1.00 1.56 C ATOM 237 O LYS A 16 4.957 25.069 27.686 1.00 1.55 O ATOM 238 CB LYS A 16 3.608 22.338 28.038 1.00 3.40 C ATOM 239 CG LYS A 16 2.751 23.310 28.893 1.00 4.24 C ATOM 240 CD LYS A 16 2.369 22.619 30.233 1.00 2.96 C ATOM 241 CE LYS A 16 1.320 23.443 30.982 1.00 3.54 C ATOM 242 NZ LYS A 16 0.084 23.418 30.137 1.00 4.44 N ATOM 0 H LYS A 16 4.998 21.217 26.202 1.00 1.97 H new ATOM 0 HA LYS A 16 3.240 23.622 26.347 1.00 2.47 H new ATOM 0 HB2 LYS A 16 3.025 21.454 27.777 1.00 3.40 H new ATOM 0 HB3 LYS A 16 4.469 21.994 28.611 1.00 3.40 H new ATOM 0 HG2 LYS A 16 3.307 24.226 29.089 1.00 4.24 H new ATOM 0 HG3 LYS A 16 1.851 23.594 28.348 1.00 4.24 H new ATOM 0 HD2 LYS A 16 1.982 21.619 30.036 1.00 2.96 H new ATOM 0 HD3 LYS A 16 3.257 22.500 30.854 1.00 2.96 H new ATOM 0 HE2 LYS A 16 1.125 23.021 31.968 1.00 3.54 H new ATOM 0 HE3 LYS A 16 1.666 24.465 31.135 1.00 3.54 H new ATOM 0 HZ1 LYS A 16 -0.755 23.489 30.747 1.00 4.44 H new ATOM 0 HZ2 LYS A 16 0.100 24.220 29.475 1.00 4.44 H new ATOM 0 HZ3 LYS A 16 0.048 22.528 29.601 1.00 4.44 H new ATOM 256 N THR A 17 6.409 23.750 26.669 1.00 1.09 N ATOM 257 CA THR A 17 7.529 24.718 26.966 1.00 0.97 C ATOM 258 C THR A 17 7.886 25.445 25.677 1.00 1.61 C ATOM 259 O THR A 17 7.434 25.096 24.605 1.00 1.94 O ATOM 260 CB THR A 17 8.772 23.977 27.463 1.00 0.99 C ATOM 261 OG1 THR A 17 8.280 23.194 28.530 1.00 1.42 O ATOM 262 CG2 THR A 17 9.762 24.905 28.194 1.00 1.98 C ATOM 0 H THR A 17 6.671 22.909 26.154 1.00 1.09 H new ATOM 0 HA THR A 17 7.201 25.414 27.738 1.00 0.97 H new ATOM 0 HB THR A 17 9.255 23.482 26.620 1.00 0.99 H new ATOM 0 HG1 THR A 17 9.013 22.673 28.919 1.00 1.42 H new ATOM 0 HG21 THR A 17 10.625 24.328 28.525 1.00 1.98 H new ATOM 0 HG22 THR A 17 10.091 25.693 27.516 1.00 1.98 H new ATOM 0 HG23 THR A 17 9.271 25.352 29.058 1.00 1.98 H new ATOM 270 N LYS A 18 8.690 26.455 25.798 1.00 2.08 N ATOM 271 CA LYS A 18 9.095 27.219 24.586 1.00 2.71 C ATOM 272 C LYS A 18 10.446 26.623 24.091 1.00 2.39 C ATOM 273 O LYS A 18 11.454 26.765 24.758 1.00 2.40 O ATOM 274 CB LYS A 18 9.220 28.720 24.992 1.00 3.47 C ATOM 275 CG LYS A 18 9.324 29.664 23.743 1.00 4.16 C ATOM 276 CD LYS A 18 7.978 29.768 22.924 1.00 2.83 C ATOM 277 CE LYS A 18 6.818 30.370 23.756 1.00 0.81 C ATOM 278 NZ LYS A 18 5.626 30.553 22.848 1.00 2.14 N ATOM 0 H LYS A 18 9.085 26.787 26.678 1.00 2.08 H new ATOM 0 HA LYS A 18 8.370 27.148 23.775 1.00 2.71 H new ATOM 0 HB2 LYS A 18 8.355 29.006 25.591 1.00 3.47 H new ATOM 0 HB3 LYS A 18 10.101 28.853 25.620 1.00 3.47 H new ATOM 0 HG2 LYS A 18 9.618 30.660 24.073 1.00 4.16 H new ATOM 0 HG3 LYS A 18 10.114 29.300 23.086 1.00 4.16 H new ATOM 0 HD2 LYS A 18 8.142 30.383 22.039 1.00 2.83 H new ATOM 0 HD3 LYS A 18 7.692 28.776 22.574 1.00 2.83 H new ATOM 0 HE2 LYS A 18 6.565 29.711 24.586 1.00 0.81 H new ATOM 0 HE3 LYS A 18 7.117 31.325 24.187 1.00 0.81 H new ATOM 0 HZ1 LYS A 18 4.836 30.957 23.390 1.00 2.14 H new ATOM 0 HZ2 LYS A 18 5.877 31.196 22.071 1.00 2.14 H new ATOM 0 HZ3 LYS A 18 5.343 29.632 22.457 1.00 2.14 H new ATOM 292 N PRO A 19 10.451 25.951 22.954 1.00 2.21 N ATOM 293 CA PRO A 19 11.708 25.354 22.407 1.00 1.85 C ATOM 294 C PRO A 19 12.544 26.516 21.819 1.00 1.59 C ATOM 295 O PRO A 19 12.035 27.607 21.662 1.00 1.93 O ATOM 296 CB PRO A 19 11.232 24.346 21.343 1.00 1.85 C ATOM 297 CG PRO A 19 9.702 24.210 21.644 1.00 2.40 C ATOM 298 CD PRO A 19 9.303 25.630 22.059 1.00 2.41 C ATOM 0 HA PRO A 19 12.337 24.842 23.135 1.00 1.85 H new ATOM 0 HB2 PRO A 19 11.413 24.711 20.332 1.00 1.85 H new ATOM 0 HB3 PRO A 19 11.748 23.390 21.434 1.00 1.85 H new ATOM 0 HG2 PRO A 19 9.147 23.875 20.768 1.00 2.40 H new ATOM 0 HG3 PRO A 19 9.510 23.489 22.438 1.00 2.40 H new ATOM 0 HD2 PRO A 19 9.229 26.310 21.210 1.00 2.41 H new ATOM 0 HD3 PRO A 19 8.345 25.662 22.577 1.00 2.41 H new ATOM 306 N ALA A 20 13.785 26.273 21.500 1.00 1.06 N ATOM 307 CA ALA A 20 14.640 27.373 20.925 1.00 0.90 C ATOM 308 C ALA A 20 14.758 27.386 19.371 1.00 0.76 C ATOM 309 O ALA A 20 14.418 26.437 18.684 1.00 0.63 O ATOM 310 CB ALA A 20 16.026 27.231 21.579 1.00 0.98 C ATOM 0 H ALA A 20 14.249 25.371 21.608 1.00 1.06 H new ATOM 0 HA ALA A 20 14.161 28.326 21.148 1.00 0.90 H new ATOM 0 HB1 ALA A 20 16.690 28.007 21.197 1.00 0.98 H new ATOM 0 HB2 ALA A 20 15.931 27.335 22.660 1.00 0.98 H new ATOM 0 HB3 ALA A 20 16.441 26.251 21.344 1.00 0.98 H new ATOM 316 N ASP A 21 15.246 28.499 18.886 1.00 0.89 N ATOM 317 CA ASP A 21 15.456 28.740 17.428 1.00 0.91 C ATOM 318 C ASP A 21 15.899 27.491 16.665 1.00 0.80 C ATOM 319 O ASP A 21 15.115 26.890 15.966 1.00 0.73 O ATOM 320 CB ASP A 21 16.487 29.850 17.335 1.00 1.07 C ATOM 321 CG ASP A 21 15.921 31.100 17.981 1.00 1.83 C ATOM 322 OD1 ASP A 21 16.043 31.133 19.199 1.00 4.18 O ATOM 323 OD2 ASP A 21 15.409 31.913 17.228 1.00 1.53 O ATOM 0 H ASP A 21 15.520 29.287 19.472 1.00 0.89 H new ATOM 0 HA ASP A 21 14.515 29.021 16.955 1.00 0.91 H new ATOM 0 HB2 ASP A 21 17.409 29.552 17.835 1.00 1.07 H new ATOM 0 HB3 ASP A 21 16.738 30.045 16.292 1.00 1.07 H new ATOM 328 N GLU A 22 17.144 27.127 16.806 1.00 0.82 N ATOM 329 CA GLU A 22 17.652 25.914 16.092 1.00 0.70 C ATOM 330 C GLU A 22 16.757 24.688 16.118 1.00 0.61 C ATOM 331 O GLU A 22 16.679 24.003 15.122 1.00 0.42 O ATOM 332 CB GLU A 22 19.044 25.514 16.666 1.00 0.78 C ATOM 333 CG GLU A 22 20.172 26.401 16.077 1.00 1.29 C ATOM 334 CD GLU A 22 21.534 26.048 16.711 1.00 1.17 C ATOM 335 OE1 GLU A 22 21.908 24.899 16.530 1.00 2.76 O ATOM 336 OE2 GLU A 22 22.110 26.933 17.326 1.00 1.09 O ATOM 0 H GLU A 22 17.832 27.613 17.382 1.00 0.82 H new ATOM 0 HA GLU A 22 17.695 26.221 15.047 1.00 0.70 H new ATOM 0 HB2 GLU A 22 19.033 25.609 17.752 1.00 0.78 H new ATOM 0 HB3 GLU A 22 19.246 24.467 16.440 1.00 0.78 H new ATOM 0 HG2 GLU A 22 20.222 26.264 14.997 1.00 1.29 H new ATOM 0 HG3 GLU A 22 19.945 27.452 16.255 1.00 1.29 H new ATOM 343 N GLU A 23 16.085 24.429 17.207 1.00 0.75 N ATOM 344 CA GLU A 23 15.207 23.225 17.252 1.00 0.71 C ATOM 345 C GLU A 23 13.942 23.545 16.456 1.00 0.68 C ATOM 346 O GLU A 23 13.573 22.733 15.623 1.00 0.61 O ATOM 347 CB GLU A 23 14.955 22.906 18.767 1.00 0.82 C ATOM 348 CG GLU A 23 16.346 22.488 19.422 1.00 0.99 C ATOM 349 CD GLU A 23 16.908 21.160 18.867 1.00 2.56 C ATOM 350 OE1 GLU A 23 17.358 21.154 17.737 1.00 3.19 O ATOM 351 OE2 GLU A 23 16.893 20.146 19.544 1.00 3.96 O ATOM 0 H GLU A 23 16.105 24.991 18.058 1.00 0.75 H new ATOM 0 HA GLU A 23 15.644 22.335 16.798 1.00 0.71 H new ATOM 0 HB2 GLU A 23 14.541 23.777 19.276 1.00 0.82 H new ATOM 0 HB3 GLU A 23 14.228 22.101 18.871 1.00 0.82 H new ATOM 0 HG2 GLU A 23 17.073 23.282 19.251 1.00 0.99 H new ATOM 0 HG3 GLU A 23 16.219 22.398 20.501 1.00 0.99 H new ATOM 358 N MET A 24 13.312 24.677 16.685 1.00 0.72 N ATOM 359 CA MET A 24 12.076 24.953 15.872 1.00 0.74 C ATOM 360 C MET A 24 12.511 24.934 14.396 1.00 0.60 C ATOM 361 O MET A 24 11.823 24.394 13.552 1.00 0.54 O ATOM 362 CB MET A 24 11.445 26.343 16.231 1.00 0.81 C ATOM 363 CG MET A 24 12.357 27.560 16.019 1.00 1.96 C ATOM 364 SD MET A 24 11.565 29.178 16.160 1.00 2.03 S ATOM 365 CE MET A 24 10.887 29.311 14.486 1.00 3.20 C ATOM 0 H MET A 24 13.580 25.390 17.363 1.00 0.72 H new ATOM 0 HA MET A 24 11.313 24.202 16.079 1.00 0.74 H new ATOM 0 HB2 MET A 24 10.544 26.478 15.633 1.00 0.81 H new ATOM 0 HB3 MET A 24 11.134 26.322 17.276 1.00 0.81 H new ATOM 0 HG2 MET A 24 13.169 27.511 16.744 1.00 1.96 H new ATOM 0 HG3 MET A 24 12.808 27.483 15.030 1.00 1.96 H new ATOM 0 HE1 MET A 24 10.356 30.257 14.383 1.00 3.20 H new ATOM 0 HE2 MET A 24 11.699 29.269 13.760 1.00 3.20 H new ATOM 0 HE3 MET A 24 10.197 28.487 14.306 1.00 3.20 H new ATOM 375 N LEU A 25 13.647 25.532 14.126 1.00 0.53 N ATOM 376 CA LEU A 25 14.191 25.587 12.782 1.00 0.42 C ATOM 377 C LEU A 25 14.441 24.138 12.299 1.00 0.23 C ATOM 378 O LEU A 25 14.073 23.766 11.199 1.00 0.24 O ATOM 379 CB LEU A 25 15.490 26.427 12.865 1.00 0.45 C ATOM 380 CG LEU A 25 15.308 27.971 12.968 1.00 0.92 C ATOM 381 CD1 LEU A 25 16.695 28.578 12.766 1.00 0.75 C ATOM 382 CD2 LEU A 25 14.474 28.547 11.853 1.00 1.24 C ATOM 0 H LEU A 25 14.223 25.995 14.829 1.00 0.53 H new ATOM 0 HA LEU A 25 13.517 26.052 12.062 1.00 0.42 H new ATOM 0 HB2 LEU A 25 16.060 26.091 13.731 1.00 0.45 H new ATOM 0 HB3 LEU A 25 16.094 26.212 11.983 1.00 0.45 H new ATOM 0 HG LEU A 25 14.828 28.186 13.923 1.00 0.92 H new ATOM 0 HD11 LEU A 25 16.629 29.664 12.828 1.00 0.75 H new ATOM 0 HD12 LEU A 25 17.369 28.210 13.540 1.00 0.75 H new ATOM 0 HD13 LEU A 25 17.078 28.293 11.786 1.00 0.75 H new ATOM 0 HD21 LEU A 25 14.386 29.626 11.984 1.00 1.24 H new ATOM 0 HD22 LEU A 25 14.950 28.335 10.896 1.00 1.24 H new ATOM 0 HD23 LEU A 25 13.481 28.097 11.871 1.00 1.24 H new ATOM 394 N PHE A 26 15.057 23.346 13.132 1.00 0.17 N ATOM 395 CA PHE A 26 15.367 21.919 12.781 1.00 0.11 C ATOM 396 C PHE A 26 14.056 21.322 12.296 1.00 0.12 C ATOM 397 O PHE A 26 13.979 20.823 11.191 1.00 0.25 O ATOM 398 CB PHE A 26 15.869 21.185 14.031 1.00 0.15 C ATOM 399 CG PHE A 26 16.409 19.821 13.604 1.00 0.16 C ATOM 400 CD1 PHE A 26 17.737 19.676 13.250 1.00 2.22 C ATOM 401 CD2 PHE A 26 15.577 18.723 13.561 1.00 2.53 C ATOM 402 CE1 PHE A 26 18.225 18.450 12.859 1.00 2.18 C ATOM 403 CE2 PHE A 26 16.061 17.494 13.171 1.00 2.59 C ATOM 404 CZ PHE A 26 17.387 17.362 12.820 1.00 0.23 C ATOM 0 H PHE A 26 15.367 23.628 14.062 1.00 0.17 H new ATOM 0 HA PHE A 26 16.142 21.837 12.019 1.00 0.11 H new ATOM 0 HB2 PHE A 26 16.650 21.765 14.524 1.00 0.15 H new ATOM 0 HB3 PHE A 26 15.059 21.064 14.751 1.00 0.15 H new ATOM 0 HD1 PHE A 26 18.396 20.531 13.280 1.00 2.22 H new ATOM 0 HD2 PHE A 26 14.538 18.827 13.835 1.00 2.53 H new ATOM 0 HE1 PHE A 26 19.264 18.343 12.584 1.00 2.18 H new ATOM 0 HE2 PHE A 26 15.404 16.637 13.140 1.00 2.59 H new ATOM 0 HZ PHE A 26 17.769 16.400 12.513 1.00 0.23 H new ATOM 414 N ILE A 27 13.087 21.434 13.170 1.00 0.16 N ATOM 415 CA ILE A 27 11.711 20.920 12.887 1.00 0.20 C ATOM 416 C ILE A 27 11.315 21.541 11.547 1.00 0.23 C ATOM 417 O ILE A 27 11.397 20.839 10.572 1.00 0.27 O ATOM 418 CB ILE A 27 10.810 21.369 14.050 1.00 0.26 C ATOM 419 CG1 ILE A 27 11.232 20.613 15.355 1.00 0.67 C ATOM 420 CG2 ILE A 27 9.305 21.117 13.783 1.00 0.45 C ATOM 421 CD1 ILE A 27 11.161 19.047 15.208 1.00 1.35 C ATOM 0 H ILE A 27 13.194 21.869 14.086 1.00 0.16 H new ATOM 0 HA ILE A 27 11.633 19.835 12.815 1.00 0.20 H new ATOM 0 HB ILE A 27 10.944 22.445 14.159 1.00 0.26 H new ATOM 0 HG12 ILE A 27 12.248 20.902 15.623 1.00 0.67 H new ATOM 0 HG13 ILE A 27 10.585 20.925 16.175 1.00 0.67 H new ATOM 0 HG21 ILE A 27 8.722 21.455 14.640 1.00 0.45 H new ATOM 0 HG22 ILE A 27 8.996 21.667 12.894 1.00 0.45 H new ATOM 0 HG23 ILE A 27 9.137 20.051 13.627 1.00 0.45 H new ATOM 0 HD11 ILE A 27 11.465 18.579 16.145 1.00 1.35 H new ATOM 0 HD12 ILE A 27 10.140 18.750 14.969 1.00 1.35 H new ATOM 0 HD13 ILE A 27 11.829 18.726 14.409 1.00 1.35 H new ATOM 433 N TYR A 28 10.881 22.776 11.504 1.00 0.29 N ATOM 434 CA TYR A 28 10.512 23.394 10.177 1.00 0.29 C ATOM 435 C TYR A 28 11.304 22.791 8.978 1.00 0.24 C ATOM 436 O TYR A 28 10.746 22.218 8.065 1.00 0.25 O ATOM 437 CB TYR A 28 10.773 24.919 10.166 1.00 0.27 C ATOM 438 CG TYR A 28 10.260 25.448 8.801 1.00 0.35 C ATOM 439 CD1 TYR A 28 11.085 25.444 7.693 1.00 2.65 C ATOM 440 CD2 TYR A 28 8.967 25.918 8.652 1.00 2.14 C ATOM 441 CE1 TYR A 28 10.640 25.896 6.472 1.00 2.83 C ATOM 442 CE2 TYR A 28 8.523 26.372 7.417 1.00 1.96 C ATOM 443 CZ TYR A 28 9.361 26.363 6.320 1.00 0.68 C ATOM 444 OH TYR A 28 8.929 26.811 5.086 1.00 0.86 O ATOM 0 H TYR A 28 10.765 23.383 12.315 1.00 0.29 H new ATOM 0 HA TYR A 28 9.451 23.176 10.059 1.00 0.29 H new ATOM 0 HB2 TYR A 28 10.253 25.407 10.990 1.00 0.27 H new ATOM 0 HB3 TYR A 28 11.835 25.131 10.289 1.00 0.27 H new ATOM 0 HD1 TYR A 28 12.097 25.080 7.787 1.00 2.65 H new ATOM 0 HD2 TYR A 28 8.299 25.932 9.501 1.00 2.14 H new ATOM 0 HE1 TYR A 28 11.307 25.882 5.623 1.00 2.83 H new ATOM 0 HE2 TYR A 28 7.511 26.736 7.314 1.00 1.96 H new ATOM 0 HH TYR A 28 9.421 26.345 4.378 1.00 0.86 H new ATOM 454 N SER A 29 12.607 22.887 8.989 1.00 0.19 N ATOM 455 CA SER A 29 13.462 22.351 7.874 1.00 0.13 C ATOM 456 C SER A 29 13.301 20.885 7.527 1.00 0.13 C ATOM 457 O SER A 29 13.033 20.516 6.400 1.00 0.16 O ATOM 458 CB SER A 29 14.970 22.607 8.211 1.00 0.06 C ATOM 459 OG SER A 29 15.311 22.126 9.527 1.00 0.38 O ATOM 0 H SER A 29 13.134 23.326 9.744 1.00 0.19 H new ATOM 0 HA SER A 29 13.114 22.892 6.994 1.00 0.13 H new ATOM 0 HB2 SER A 29 15.598 22.113 7.469 1.00 0.06 H new ATOM 0 HB3 SER A 29 15.181 23.674 8.148 1.00 0.06 H new ATOM 0 HG SER A 29 14.497 22.045 10.067 1.00 0.38 H new ATOM 465 N HIS A 30 13.477 20.100 8.537 1.00 0.15 N ATOM 466 CA HIS A 30 13.368 18.636 8.395 1.00 0.15 C ATOM 467 C HIS A 30 11.915 18.229 8.155 1.00 0.17 C ATOM 468 O HIS A 30 11.690 17.285 7.433 1.00 0.20 O ATOM 469 CB HIS A 30 13.964 18.050 9.678 1.00 0.20 C ATOM 470 CG HIS A 30 15.464 18.337 9.674 1.00 0.26 C ATOM 471 ND1 HIS A 30 16.025 19.501 9.740 1.00 0.29 N ATOM 472 CD2 HIS A 30 16.516 17.451 9.591 1.00 0.31 C ATOM 473 CE1 HIS A 30 17.315 19.359 9.704 1.00 0.35 C ATOM 474 NE2 HIS A 30 17.662 18.100 9.613 1.00 0.36 N ATOM 0 H HIS A 30 13.698 20.420 9.480 1.00 0.15 H new ATOM 0 HA HIS A 30 13.911 18.254 7.530 1.00 0.15 H new ATOM 0 HB2 HIS A 30 13.493 18.494 10.555 1.00 0.20 H new ATOM 0 HB3 HIS A 30 13.781 16.977 9.728 1.00 0.20 H new ATOM 0 HD1 HIS A 30 15.531 20.391 9.809 1.00 0.29 H new ATOM 0 HD2 HIS A 30 16.415 16.378 9.518 1.00 0.31 H new ATOM 0 HE1 HIS A 30 18.016 20.179 9.744 1.00 0.35 H new ATOM 482 N TYR A 31 10.962 18.914 8.723 1.00 0.16 N ATOM 483 CA TYR A 31 9.544 18.518 8.478 1.00 0.08 C ATOM 484 C TYR A 31 9.303 18.775 6.999 1.00 0.08 C ATOM 485 O TYR A 31 8.662 17.985 6.330 1.00 0.08 O ATOM 486 CB TYR A 31 8.571 19.369 9.334 1.00 0.08 C ATOM 487 CG TYR A 31 7.102 18.985 9.015 1.00 0.19 C ATOM 488 CD1 TYR A 31 6.423 19.597 7.976 1.00 2.51 C ATOM 489 CD2 TYR A 31 6.441 18.010 9.744 1.00 2.25 C ATOM 490 CE1 TYR A 31 5.120 19.240 7.681 1.00 2.61 C ATOM 491 CE2 TYR A 31 5.135 17.659 9.438 1.00 2.17 C ATOM 492 CZ TYR A 31 4.471 18.275 8.404 1.00 0.52 C ATOM 493 OH TYR A 31 3.170 17.957 8.067 1.00 0.68 O ATOM 0 H TYR A 31 11.097 19.718 9.336 1.00 0.16 H new ATOM 0 HA TYR A 31 9.370 17.477 8.750 1.00 0.08 H new ATOM 0 HB2 TYR A 31 8.774 19.212 10.393 1.00 0.08 H new ATOM 0 HB3 TYR A 31 8.730 20.429 9.133 1.00 0.08 H new ATOM 0 HD1 TYR A 31 6.915 20.360 7.391 1.00 2.51 H new ATOM 0 HD2 TYR A 31 6.949 17.518 10.560 1.00 2.25 H new ATOM 0 HE1 TYR A 31 4.606 19.730 6.867 1.00 2.61 H new ATOM 0 HE2 TYR A 31 4.636 16.896 10.016 1.00 2.17 H new ATOM 0 HH TYR A 31 2.839 17.255 8.666 1.00 0.68 H new ATOM 503 N LYS A 32 9.828 19.876 6.541 1.00 0.08 N ATOM 504 CA LYS A 32 9.636 20.184 5.101 1.00 0.09 C ATOM 505 C LYS A 32 10.340 19.105 4.273 1.00 0.07 C ATOM 506 O LYS A 32 9.657 18.426 3.541 1.00 0.06 O ATOM 507 CB LYS A 32 10.204 21.550 4.849 1.00 0.11 C ATOM 508 CG LYS A 32 9.379 22.601 5.556 1.00 0.29 C ATOM 509 CD LYS A 32 7.967 22.743 4.916 1.00 0.43 C ATOM 510 CE LYS A 32 7.272 23.846 5.694 1.00 0.87 C ATOM 511 NZ LYS A 32 6.931 24.959 4.742 1.00 2.31 N ATOM 0 H LYS A 32 10.364 20.555 7.081 1.00 0.08 H new ATOM 0 HA LYS A 32 8.584 20.186 4.817 1.00 0.09 H new ATOM 0 HB2 LYS A 32 11.236 21.592 5.198 1.00 0.11 H new ATOM 0 HB3 LYS A 32 10.222 21.752 3.778 1.00 0.11 H new ATOM 0 HG2 LYS A 32 9.278 22.338 6.609 1.00 0.29 H new ATOM 0 HG3 LYS A 32 9.896 23.560 5.515 1.00 0.29 H new ATOM 0 HD2 LYS A 32 8.040 22.996 3.858 1.00 0.43 H new ATOM 0 HD3 LYS A 32 7.411 21.808 4.982 1.00 0.43 H new ATOM 0 HE2 LYS A 32 6.368 23.463 6.169 1.00 0.87 H new ATOM 0 HE3 LYS A 32 7.919 24.214 6.490 1.00 0.87 H new ATOM 0 HZ1 LYS A 32 6.113 25.489 5.106 1.00 2.31 H new ATOM 0 HZ2 LYS A 32 7.746 25.599 4.650 1.00 2.31 H new ATOM 0 HZ3 LYS A 32 6.698 24.560 3.810 1.00 2.31 H new ATOM 525 N GLN A 33 11.640 18.947 4.373 1.00 0.14 N ATOM 526 CA GLN A 33 12.298 17.863 3.546 1.00 0.20 C ATOM 527 C GLN A 33 11.584 16.493 3.739 1.00 0.21 C ATOM 528 O GLN A 33 11.317 15.802 2.779 1.00 0.23 O ATOM 529 CB GLN A 33 13.799 17.728 3.944 1.00 0.23 C ATOM 530 CG GLN A 33 14.454 16.516 3.205 1.00 1.45 C ATOM 531 CD GLN A 33 14.352 16.616 1.672 1.00 0.18 C ATOM 532 OE1 GLN A 33 13.623 15.880 1.044 1.00 1.25 O ATOM 533 NE2 GLN A 33 15.045 17.492 1.014 1.00 1.39 N ATOM 0 H GLN A 33 12.262 19.496 4.967 1.00 0.14 H new ATOM 0 HA GLN A 33 12.219 18.147 2.497 1.00 0.20 H new ATOM 0 HB2 GLN A 33 14.332 18.645 3.694 1.00 0.23 H new ATOM 0 HB3 GLN A 33 13.885 17.594 5.022 1.00 0.23 H new ATOM 0 HG2 GLN A 33 15.504 16.449 3.490 1.00 1.45 H new ATOM 0 HG3 GLN A 33 13.975 15.595 3.536 1.00 1.45 H new ATOM 0 HE21 GLN A 33 15.669 18.127 1.512 1.00 1.39 H new ATOM 0 HE22 GLN A 33 14.967 17.546 -0.002 1.00 1.39 H new ATOM 542 N ALA A 34 11.293 16.145 4.965 1.00 0.28 N ATOM 543 CA ALA A 34 10.610 14.864 5.314 1.00 0.31 C ATOM 544 C ALA A 34 9.264 14.712 4.579 1.00 0.34 C ATOM 545 O ALA A 34 9.010 13.685 3.981 1.00 0.39 O ATOM 546 CB ALA A 34 10.404 14.857 6.838 1.00 0.25 C ATOM 0 H ALA A 34 11.512 16.725 5.775 1.00 0.28 H new ATOM 0 HA ALA A 34 11.225 14.020 5.001 1.00 0.31 H new ATOM 0 HB1 ALA A 34 9.906 13.934 7.134 1.00 0.25 H new ATOM 0 HB2 ALA A 34 11.371 14.923 7.336 1.00 0.25 H new ATOM 0 HB3 ALA A 34 9.789 15.709 7.126 1.00 0.25 H new ATOM 552 N THR A 35 8.439 15.733 4.635 1.00 0.30 N ATOM 553 CA THR A 35 7.086 15.673 3.950 1.00 0.34 C ATOM 554 C THR A 35 6.933 16.337 2.595 1.00 0.45 C ATOM 555 O THR A 35 6.399 15.732 1.689 1.00 0.89 O ATOM 556 CB THR A 35 6.000 16.290 4.828 1.00 0.33 C ATOM 557 OG1 THR A 35 6.360 17.658 4.888 1.00 0.38 O ATOM 558 CG2 THR A 35 6.109 15.852 6.254 1.00 0.32 C ATOM 0 H THR A 35 8.635 16.607 5.122 1.00 0.30 H new ATOM 0 HA THR A 35 6.989 14.599 3.788 1.00 0.34 H new ATOM 0 HB THR A 35 5.018 16.035 4.430 1.00 0.33 H new ATOM 0 HG1 THR A 35 7.148 17.764 5.461 1.00 0.38 H new ATOM 0 HG21 THR A 35 5.315 16.317 6.839 1.00 0.32 H new ATOM 0 HG22 THR A 35 6.013 14.768 6.310 1.00 0.32 H new ATOM 0 HG23 THR A 35 7.078 16.152 6.654 1.00 0.32 H new ATOM 566 N VAL A 36 7.399 17.536 2.471 1.00 0.10 N ATOM 567 CA VAL A 36 7.307 18.310 1.181 1.00 0.14 C ATOM 568 C VAL A 36 8.485 17.958 0.241 1.00 0.17 C ATOM 569 O VAL A 36 8.311 17.702 -0.938 1.00 0.27 O ATOM 570 CB VAL A 36 7.295 19.837 1.554 1.00 0.07 C ATOM 571 CG1 VAL A 36 7.081 20.714 0.305 1.00 0.21 C ATOM 572 CG2 VAL A 36 6.133 20.125 2.537 1.00 0.32 C ATOM 0 H VAL A 36 7.859 18.043 3.227 1.00 0.10 H new ATOM 0 HA VAL A 36 6.397 18.053 0.638 1.00 0.14 H new ATOM 0 HB VAL A 36 8.258 20.074 2.006 1.00 0.07 H new ATOM 0 HG11 VAL A 36 7.077 21.765 0.595 1.00 0.21 H new ATOM 0 HG12 VAL A 36 7.887 20.536 -0.407 1.00 0.21 H new ATOM 0 HG13 VAL A 36 6.127 20.462 -0.157 1.00 0.21 H new ATOM 0 HG21 VAL A 36 6.128 21.184 2.794 1.00 0.32 H new ATOM 0 HG22 VAL A 36 5.185 19.860 2.068 1.00 0.32 H new ATOM 0 HG23 VAL A 36 6.267 19.533 3.442 1.00 0.32 H new ATOM 582 N GLY A 37 9.659 17.949 0.812 1.00 0.20 N ATOM 583 CA GLY A 37 10.939 17.632 0.081 1.00 0.24 C ATOM 584 C GLY A 37 11.794 18.878 -0.187 1.00 0.28 C ATOM 585 O GLY A 37 11.955 19.771 0.633 1.00 0.33 O ATOM 0 H GLY A 37 9.797 18.157 1.801 1.00 0.20 H new ATOM 0 HA2 GLY A 37 11.519 16.918 0.666 1.00 0.24 H new ATOM 0 HA3 GLY A 37 10.701 17.149 -0.867 1.00 0.24 H new ATOM 589 N ASP A 38 12.327 18.849 -1.376 1.00 0.44 N ATOM 590 CA ASP A 38 13.184 19.921 -1.914 1.00 0.68 C ATOM 591 C ASP A 38 12.320 21.200 -2.061 1.00 0.74 C ATOM 592 O ASP A 38 11.472 21.314 -2.922 1.00 0.74 O ATOM 593 CB ASP A 38 13.734 19.293 -3.226 1.00 0.65 C ATOM 594 CG ASP A 38 14.775 18.194 -2.918 1.00 0.83 C ATOM 595 OD1 ASP A 38 14.685 17.596 -1.863 1.00 1.85 O ATOM 596 OD2 ASP A 38 15.642 17.988 -3.745 1.00 2.73 O ATOM 0 H ASP A 38 12.189 18.076 -2.026 1.00 0.44 H new ATOM 0 HA ASP A 38 14.023 20.248 -1.301 1.00 0.68 H new ATOM 0 HB2 ASP A 38 12.912 18.869 -3.803 1.00 0.65 H new ATOM 0 HB3 ASP A 38 14.190 20.068 -3.842 1.00 0.65 H new ATOM 601 N ILE A 39 12.593 22.124 -1.176 1.00 0.73 N ATOM 602 CA ILE A 39 11.892 23.460 -1.088 1.00 0.74 C ATOM 603 C ILE A 39 11.273 23.974 -2.408 1.00 0.72 C ATOM 604 O ILE A 39 11.970 24.295 -3.350 1.00 0.89 O ATOM 605 CB ILE A 39 12.972 24.387 -0.466 1.00 0.80 C ATOM 606 CG1 ILE A 39 12.245 25.617 0.083 1.00 0.87 C ATOM 607 CG2 ILE A 39 14.072 24.759 -1.502 1.00 0.79 C ATOM 608 CD1 ILE A 39 13.041 26.210 1.257 1.00 1.11 C ATOM 0 H ILE A 39 13.316 22.005 -0.466 1.00 0.73 H new ATOM 0 HA ILE A 39 10.989 23.406 -0.479 1.00 0.74 H new ATOM 0 HB ILE A 39 13.500 23.879 0.341 1.00 0.80 H new ATOM 0 HG12 ILE A 39 12.128 26.363 -0.703 1.00 0.87 H new ATOM 0 HG13 ILE A 39 11.243 25.342 0.413 1.00 0.87 H new ATOM 0 HG21 ILE A 39 14.810 25.408 -1.031 1.00 0.79 H new ATOM 0 HG22 ILE A 39 14.560 23.851 -1.856 1.00 0.79 H new ATOM 0 HG23 ILE A 39 13.617 25.279 -2.345 1.00 0.79 H new ATOM 0 HD11 ILE A 39 12.520 27.085 1.645 1.00 1.11 H new ATOM 0 HD12 ILE A 39 13.135 25.464 2.046 1.00 1.11 H new ATOM 0 HD13 ILE A 39 14.034 26.501 0.913 1.00 1.11 H new ATOM 805 N LYS A 52 12.545 32.769 7.646 1.00 2.55 N ATOM 806 CA LYS A 52 13.493 32.821 6.470 1.00 2.25 C ATOM 807 C LYS A 52 14.666 31.894 6.819 1.00 1.35 C ATOM 808 O LYS A 52 15.032 31.059 6.021 1.00 1.40 O ATOM 809 CB LYS A 52 13.983 34.292 6.266 1.00 2.66 C ATOM 810 CG LYS A 52 15.184 34.326 5.266 1.00 2.67 C ATOM 811 CD LYS A 52 15.475 35.816 4.916 1.00 3.63 C ATOM 812 CE LYS A 52 16.921 36.059 4.474 1.00 3.15 C ATOM 813 NZ LYS A 52 17.074 37.525 4.148 1.00 5.28 N ATOM 0 HA LYS A 52 13.016 32.501 5.544 1.00 2.25 H new ATOM 0 HB2 LYS A 52 13.166 34.906 5.886 1.00 2.66 H new ATOM 0 HB3 LYS A 52 14.284 34.719 7.223 1.00 2.66 H new ATOM 0 HG2 LYS A 52 16.063 33.860 5.710 1.00 2.67 H new ATOM 0 HG3 LYS A 52 14.946 33.762 4.364 1.00 2.67 H new ATOM 0 HD2 LYS A 52 14.800 36.135 4.121 1.00 3.63 H new ATOM 0 HD3 LYS A 52 15.258 36.436 5.786 1.00 3.63 H new ATOM 0 HE2 LYS A 52 17.614 35.771 5.265 1.00 3.15 H new ATOM 0 HE3 LYS A 52 17.160 35.449 3.603 1.00 3.15 H new ATOM 0 HZ1 LYS A 52 18.051 37.713 3.845 1.00 5.28 H new ATOM 0 HZ2 LYS A 52 16.418 37.781 3.382 1.00 5.28 H new ATOM 0 HZ3 LYS A 52 16.858 38.093 4.992 1.00 5.28 H new ATOM 827 N ALA A 53 15.180 32.093 8.011 1.00 0.68 N ATOM 828 CA ALA A 53 16.321 31.309 8.576 1.00 0.15 C ATOM 829 C ALA A 53 16.114 29.888 8.053 1.00 0.68 C ATOM 830 O ALA A 53 16.930 29.394 7.311 1.00 1.02 O ATOM 831 CB ALA A 53 16.232 31.409 10.117 1.00 0.52 C ATOM 0 H ALA A 53 14.831 32.810 8.648 1.00 0.68 H new ATOM 0 HA ALA A 53 17.312 31.662 8.290 1.00 0.15 H new ATOM 0 HB1 ALA A 53 17.051 30.847 10.566 1.00 0.52 H new ATOM 0 HB2 ALA A 53 16.301 32.454 10.418 1.00 0.52 H new ATOM 0 HB3 ALA A 53 15.281 30.996 10.454 1.00 0.52 H new ATOM 837 N LYS A 54 15.035 29.253 8.440 1.00 1.26 N ATOM 838 CA LYS A 54 14.790 27.881 7.935 1.00 1.94 C ATOM 839 C LYS A 54 14.209 27.759 6.545 1.00 0.91 C ATOM 840 O LYS A 54 14.216 26.651 6.042 1.00 0.71 O ATOM 841 CB LYS A 54 13.909 27.162 8.938 1.00 3.49 C ATOM 842 CG LYS A 54 14.649 25.872 9.457 1.00 5.54 C ATOM 843 CD LYS A 54 16.261 25.902 9.515 1.00 7.47 C ATOM 844 CE LYS A 54 16.975 24.724 10.284 1.00 10.18 C ATOM 845 NZ LYS A 54 17.510 23.681 9.350 1.00 11.06 N ATOM 0 H LYS A 54 14.327 29.624 9.074 1.00 1.26 H new ATOM 0 HA LYS A 54 15.775 27.425 7.833 1.00 1.94 H new ATOM 0 HB2 LYS A 54 13.677 27.822 9.774 1.00 3.49 H new ATOM 0 HB3 LYS A 54 12.961 26.889 8.475 1.00 3.49 H new ATOM 0 HG2 LYS A 54 14.282 25.656 10.460 1.00 5.54 H new ATOM 0 HG3 LYS A 54 14.352 25.037 8.822 1.00 5.54 H new ATOM 0 HD2 LYS A 54 16.636 25.914 8.492 1.00 7.47 H new ATOM 0 HD3 LYS A 54 16.565 26.841 9.977 1.00 7.47 H new ATOM 0 HE2 LYS A 54 17.792 25.126 10.883 1.00 10.18 H new ATOM 0 HE3 LYS A 54 16.269 24.263 10.975 1.00 10.18 H new ATOM 0 HZ1 LYS A 54 16.981 22.795 9.480 1.00 11.06 H new ATOM 0 HZ2 LYS A 54 17.404 24.007 8.368 1.00 11.06 H new ATOM 0 HZ3 LYS A 54 18.517 23.516 9.553 1.00 11.06 H new ATOM 859 N TRP A 55 13.724 28.786 5.899 1.00 0.77 N ATOM 860 CA TRP A 55 13.202 28.532 4.532 1.00 1.12 C ATOM 861 C TRP A 55 14.512 28.174 3.850 1.00 0.95 C ATOM 862 O TRP A 55 14.757 27.105 3.336 1.00 0.84 O ATOM 863 CB TRP A 55 12.626 29.796 3.898 1.00 1.69 C ATOM 864 CG TRP A 55 12.149 29.405 2.485 1.00 2.03 C ATOM 865 CD1 TRP A 55 10.877 29.015 2.174 1.00 2.34 C ATOM 866 CD2 TRP A 55 12.917 29.382 1.358 1.00 2.18 C ATOM 867 NE1 TRP A 55 10.971 28.787 0.879 1.00 2.56 N ATOM 868 CE2 TRP A 55 12.125 28.977 0.305 1.00 2.55 C ATOM 869 CE3 TRP A 55 14.254 29.645 1.082 1.00 2.20 C ATOM 870 CZ2 TRP A 55 12.603 28.845 -0.980 1.00 2.88 C ATOM 871 CZ3 TRP A 55 14.768 29.508 -0.197 1.00 2.62 C ATOM 872 CH2 TRP A 55 13.939 29.112 -1.236 1.00 2.96 C ATOM 0 H TRP A 55 13.668 29.746 6.240 1.00 0.77 H new ATOM 0 HA TRP A 55 12.398 27.798 4.478 1.00 1.12 H new ATOM 0 HB2 TRP A 55 11.799 30.184 4.492 1.00 1.69 H new ATOM 0 HB3 TRP A 55 13.380 30.582 3.848 1.00 1.69 H new ATOM 0 HD1 TRP A 55 10.018 28.919 2.821 1.00 2.34 H new ATOM 0 HE1 TRP A 55 10.164 28.471 0.342 1.00 2.56 H new ATOM 0 HE3 TRP A 55 14.906 29.963 1.882 1.00 2.20 H new ATOM 0 HZ2 TRP A 55 11.945 28.537 -1.779 1.00 2.88 H new ATOM 0 HZ3 TRP A 55 15.812 29.709 -0.385 1.00 2.62 H new ATOM 0 HH2 TRP A 55 14.331 29.012 -2.237 1.00 2.96 H new ATOM 883 N ASP A 56 15.359 29.149 3.921 1.00 1.14 N ATOM 884 CA ASP A 56 16.715 29.027 3.333 1.00 1.54 C ATOM 885 C ASP A 56 17.411 27.823 3.958 1.00 1.35 C ATOM 886 O ASP A 56 17.923 26.983 3.250 1.00 1.57 O ATOM 887 CB ASP A 56 17.430 30.318 3.632 1.00 1.93 C ATOM 888 CG ASP A 56 16.822 31.456 2.843 1.00 2.39 C ATOM 889 OD1 ASP A 56 15.665 31.761 3.047 1.00 4.37 O ATOM 890 OD2 ASP A 56 17.527 32.020 2.039 1.00 1.66 O ATOM 0 H ASP A 56 15.168 30.045 4.370 1.00 1.14 H new ATOM 0 HA ASP A 56 16.697 28.866 2.255 1.00 1.54 H new ATOM 0 HB2 ASP A 56 17.371 30.535 4.699 1.00 1.93 H new ATOM 0 HB3 ASP A 56 18.487 30.221 3.385 1.00 1.93 H new ATOM 895 N ALA A 57 17.416 27.724 5.270 1.00 1.11 N ATOM 896 CA ALA A 57 18.098 26.545 5.871 1.00 1.52 C ATOM 897 C ALA A 57 17.341 25.185 5.708 1.00 0.92 C ATOM 898 O ALA A 57 17.729 24.166 6.252 1.00 0.72 O ATOM 899 CB ALA A 57 18.379 26.891 7.329 1.00 2.13 C ATOM 0 H ALA A 57 16.993 28.384 5.923 1.00 1.11 H new ATOM 0 HA ALA A 57 19.023 26.362 5.324 1.00 1.52 H new ATOM 0 HB1 ALA A 57 18.880 26.052 7.812 1.00 2.13 H new ATOM 0 HB2 ALA A 57 19.018 27.772 7.377 1.00 2.13 H new ATOM 0 HB3 ALA A 57 17.439 27.096 7.842 1.00 2.13 H new ATOM 905 N TRP A 58 16.216 25.224 5.036 1.00 0.71 N ATOM 906 CA TRP A 58 15.403 24.007 4.717 1.00 0.26 C ATOM 907 C TRP A 58 15.975 23.783 3.300 1.00 0.35 C ATOM 908 O TRP A 58 16.408 22.695 2.993 1.00 0.42 O ATOM 909 CB TRP A 58 13.944 24.304 4.578 1.00 0.24 C ATOM 910 CG TRP A 58 13.246 23.237 3.681 1.00 0.20 C ATOM 911 CD1 TRP A 58 13.724 21.993 3.296 1.00 0.17 C ATOM 912 CD2 TRP A 58 12.045 23.439 3.091 1.00 0.25 C ATOM 913 NE1 TRP A 58 12.767 21.565 2.498 1.00 0.22 N ATOM 914 CE2 TRP A 58 11.728 22.343 2.313 1.00 0.23 C ATOM 915 CE3 TRP A 58 11.142 24.500 3.165 1.00 0.31 C ATOM 916 CZ2 TRP A 58 10.530 22.277 1.610 1.00 0.20 C ATOM 917 CZ3 TRP A 58 9.931 24.449 2.466 1.00 0.34 C ATOM 918 CH2 TRP A 58 9.626 23.335 1.688 1.00 0.27 C ATOM 0 H TRP A 58 15.811 26.090 4.680 1.00 0.71 H new ATOM 0 HA TRP A 58 15.461 23.206 5.454 1.00 0.26 H new ATOM 0 HB2 TRP A 58 13.476 24.321 5.562 1.00 0.24 H new ATOM 0 HB3 TRP A 58 13.809 25.295 4.144 1.00 0.24 H new ATOM 0 HD1 TRP A 58 14.644 21.502 3.578 1.00 0.17 H new ATOM 0 HE1 TRP A 58 12.832 20.657 2.038 1.00 0.22 H new ATOM 0 HE3 TRP A 58 11.379 25.366 3.765 1.00 0.31 H new ATOM 0 HZ2 TRP A 58 10.301 21.411 1.007 1.00 0.20 H new ATOM 0 HZ3 TRP A 58 9.234 25.272 2.530 1.00 0.34 H new ATOM 0 HH2 TRP A 58 8.692 23.291 1.147 1.00 0.27 H new ATOM 929 N ASN A 59 15.959 24.797 2.466 1.00 0.60 N ATOM 930 CA ASN A 59 16.498 24.717 1.074 1.00 1.01 C ATOM 931 C ASN A 59 17.861 23.986 1.201 1.00 1.09 C ATOM 932 O ASN A 59 18.176 23.113 0.430 1.00 1.12 O ATOM 933 CB ASN A 59 16.584 26.180 0.590 1.00 1.33 C ATOM 934 CG ASN A 59 17.600 26.301 -0.487 1.00 1.88 C ATOM 935 OD1 ASN A 59 17.513 25.686 -1.531 1.00 2.06 O ATOM 936 ND2 ASN A 59 18.582 27.102 -0.242 1.00 2.25 N ATOM 0 H ASN A 59 15.578 25.712 2.707 1.00 0.60 H new ATOM 0 HA ASN A 59 15.902 24.166 0.347 1.00 1.01 H new ATOM 0 HB2 ASN A 59 15.612 26.508 0.222 1.00 1.33 H new ATOM 0 HB3 ASN A 59 16.846 26.832 1.423 1.00 1.33 H new ATOM 0 HD21 ASN A 59 19.317 27.235 -0.936 1.00 2.25 H new ATOM 0 HD22 ASN A 59 18.623 27.602 0.646 1.00 2.25 H new ATOM 943 N GLU A 60 18.621 24.369 2.197 1.00 1.14 N ATOM 944 CA GLU A 60 19.962 23.745 2.462 1.00 1.37 C ATOM 945 C GLU A 60 19.909 22.208 2.825 1.00 0.87 C ATOM 946 O GLU A 60 20.892 21.606 3.208 1.00 0.66 O ATOM 947 CB GLU A 60 20.632 24.510 3.608 1.00 1.80 C ATOM 948 CG GLU A 60 21.123 25.939 3.156 1.00 4.07 C ATOM 949 CD GLU A 60 22.365 25.884 2.228 1.00 5.65 C ATOM 950 OE1 GLU A 60 22.180 25.516 1.078 1.00 6.65 O ATOM 951 OE2 GLU A 60 23.427 26.215 2.726 1.00 6.59 O ATOM 0 H GLU A 60 18.365 25.105 2.855 1.00 1.14 H new ATOM 0 HA GLU A 60 20.528 23.812 1.533 1.00 1.37 H new ATOM 0 HB2 GLU A 60 19.929 24.613 4.435 1.00 1.80 H new ATOM 0 HB3 GLU A 60 21.481 23.936 3.980 1.00 1.80 H new ATOM 0 HG2 GLU A 60 20.311 26.450 2.638 1.00 4.07 H new ATOM 0 HG3 GLU A 60 21.361 26.532 4.039 1.00 4.07 H new ATOM 958 N LEU A 61 18.745 21.632 2.708 1.00 0.96 N ATOM 959 CA LEU A 61 18.462 20.173 2.981 1.00 0.56 C ATOM 960 C LEU A 61 17.996 19.524 1.679 1.00 0.37 C ATOM 961 O LEU A 61 18.043 18.314 1.538 1.00 0.28 O ATOM 962 CB LEU A 61 17.327 19.917 3.995 1.00 0.58 C ATOM 963 CG LEU A 61 17.602 20.473 5.392 1.00 0.62 C ATOM 964 CD1 LEU A 61 16.492 19.912 6.282 1.00 0.45 C ATOM 965 CD2 LEU A 61 18.954 19.984 5.935 1.00 0.87 C ATOM 0 H LEU A 61 17.914 22.145 2.413 1.00 0.96 H new ATOM 0 HA LEU A 61 19.387 19.766 3.389 1.00 0.56 H new ATOM 0 HB2 LEU A 61 16.407 20.360 3.614 1.00 0.58 H new ATOM 0 HB3 LEU A 61 17.157 18.843 4.070 1.00 0.58 H new ATOM 0 HG LEU A 61 17.629 21.562 5.370 1.00 0.62 H new ATOM 0 HD11 LEU A 61 16.627 20.271 7.302 1.00 0.45 H new ATOM 0 HD12 LEU A 61 15.523 20.241 5.907 1.00 0.45 H new ATOM 0 HD13 LEU A 61 16.533 18.823 6.272 1.00 0.45 H new ATOM 0 HD21 LEU A 61 19.118 20.398 6.930 1.00 0.87 H new ATOM 0 HD22 LEU A 61 18.951 18.895 5.991 1.00 0.87 H new ATOM 0 HD23 LEU A 61 19.753 20.311 5.270 1.00 0.87 H new ATOM 977 N LYS A 62 17.538 20.338 0.756 1.00 0.57 N ATOM 978 CA LYS A 62 17.050 19.879 -0.584 1.00 0.69 C ATOM 979 C LYS A 62 18.049 18.800 -1.055 1.00 0.82 C ATOM 980 O LYS A 62 19.239 18.966 -0.860 1.00 2.98 O ATOM 981 CB LYS A 62 17.013 21.198 -1.437 1.00 0.90 C ATOM 982 CG LYS A 62 16.821 20.967 -2.930 1.00 0.89 C ATOM 983 CD LYS A 62 18.125 20.357 -3.522 1.00 0.81 C ATOM 984 CE LYS A 62 18.047 20.324 -5.005 1.00 1.54 C ATOM 985 NZ LYS A 62 18.084 21.746 -5.462 1.00 2.00 N ATOM 0 H LYS A 62 17.481 21.348 0.886 1.00 0.57 H new ATOM 0 HA LYS A 62 16.065 19.415 -0.632 1.00 0.69 H new ATOM 0 HB2 LYS A 62 16.205 21.832 -1.071 1.00 0.90 H new ATOM 0 HB3 LYS A 62 17.943 21.745 -1.281 1.00 0.90 H new ATOM 0 HG2 LYS A 62 15.980 20.295 -3.102 1.00 0.89 H new ATOM 0 HG3 LYS A 62 16.585 21.907 -3.429 1.00 0.89 H new ATOM 0 HD2 LYS A 62 18.986 20.947 -3.209 1.00 0.81 H new ATOM 0 HD3 LYS A 62 18.272 19.348 -3.135 1.00 0.81 H new ATOM 0 HE2 LYS A 62 18.879 19.759 -5.425 1.00 1.54 H new ATOM 0 HE3 LYS A 62 17.131 19.834 -5.335 1.00 1.54 H new ATOM 0 HZ1 LYS A 62 18.604 21.808 -6.361 1.00 2.00 H new ATOM 0 HZ2 LYS A 62 17.113 22.092 -5.599 1.00 2.00 H new ATOM 0 HZ3 LYS A 62 18.561 22.329 -4.745 1.00 2.00 H new ATOM 999 N GLY A 63 17.603 17.735 -1.664 1.00 1.30 N ATOM 1000 CA GLY A 63 18.575 16.680 -2.113 1.00 0.62 C ATOM 1001 C GLY A 63 18.536 15.537 -1.117 1.00 0.44 C ATOM 1002 O GLY A 63 18.777 14.398 -1.467 1.00 0.43 O ATOM 0 H GLY A 63 16.622 17.545 -1.871 1.00 1.30 H new ATOM 0 HA2 GLY A 63 18.314 16.324 -3.109 1.00 0.62 H new ATOM 0 HA3 GLY A 63 19.581 17.094 -2.176 1.00 0.62 H new ATOM 1006 N THR A 64 18.252 15.884 0.113 1.00 0.38 N ATOM 1007 CA THR A 64 18.187 14.826 1.150 1.00 0.34 C ATOM 1008 C THR A 64 17.022 13.910 0.814 1.00 0.18 C ATOM 1009 O THR A 64 16.256 14.140 -0.106 1.00 0.17 O ATOM 1010 CB THR A 64 17.984 15.497 2.527 1.00 0.56 C ATOM 1011 OG1 THR A 64 19.207 16.167 2.757 1.00 0.74 O ATOM 1012 CG2 THR A 64 17.963 14.579 3.740 1.00 0.65 C ATOM 0 H THR A 64 18.067 16.834 0.434 1.00 0.38 H new ATOM 0 HA THR A 64 19.106 14.240 1.181 1.00 0.34 H new ATOM 0 HB THR A 64 17.040 16.038 2.461 1.00 0.56 H new ATOM 0 HG1 THR A 64 19.151 17.080 2.406 1.00 0.74 H new ATOM 0 HG21 THR A 64 17.814 15.172 4.642 1.00 0.65 H new ATOM 0 HG22 THR A 64 17.149 13.861 3.639 1.00 0.65 H new ATOM 0 HG23 THR A 64 18.911 14.045 3.809 1.00 0.65 H new ATOM 1020 N SER A 65 16.927 12.874 1.577 1.00 0.21 N ATOM 1021 CA SER A 65 15.823 11.905 1.365 1.00 0.41 C ATOM 1022 C SER A 65 14.737 12.412 2.323 1.00 0.57 C ATOM 1023 O SER A 65 14.864 13.455 2.942 1.00 1.80 O ATOM 1024 CB SER A 65 16.280 10.486 1.776 1.00 0.77 C ATOM 1025 OG SER A 65 16.339 10.561 3.201 1.00 3.32 O ATOM 0 H SER A 65 17.564 12.650 2.341 1.00 0.21 H new ATOM 0 HA SER A 65 15.490 11.839 0.329 1.00 0.41 H new ATOM 0 HB2 SER A 65 15.576 9.724 1.442 1.00 0.77 H new ATOM 0 HB3 SER A 65 17.249 10.235 1.346 1.00 0.77 H new ATOM 0 HG SER A 65 17.069 9.995 3.528 1.00 3.32 H new ATOM 1031 N LYS A 66 13.688 11.652 2.412 1.00 0.84 N ATOM 1032 CA LYS A 66 12.591 12.046 3.328 1.00 0.61 C ATOM 1033 C LYS A 66 12.840 11.294 4.614 1.00 0.54 C ATOM 1034 O LYS A 66 12.682 11.858 5.672 1.00 0.40 O ATOM 1035 CB LYS A 66 11.259 11.663 2.708 1.00 0.72 C ATOM 1036 CG LYS A 66 11.096 12.654 1.566 1.00 1.82 C ATOM 1037 CD LYS A 66 9.647 12.665 1.125 1.00 2.00 C ATOM 1038 CE LYS A 66 9.384 14.068 0.634 1.00 2.71 C ATOM 1039 NZ LYS A 66 7.974 14.067 0.185 1.00 4.01 N ATOM 0 H LYS A 66 13.543 10.784 1.896 1.00 0.84 H new ATOM 0 HA LYS A 66 12.562 13.120 3.513 1.00 0.61 H new ATOM 0 HB2 LYS A 66 11.266 10.634 2.348 1.00 0.72 H new ATOM 0 HB3 LYS A 66 10.444 11.743 3.428 1.00 0.72 H new ATOM 0 HG2 LYS A 66 11.400 13.651 1.886 1.00 1.82 H new ATOM 0 HG3 LYS A 66 11.741 12.377 0.732 1.00 1.82 H new ATOM 0 HD2 LYS A 66 9.472 11.934 0.336 1.00 2.00 H new ATOM 0 HD3 LYS A 66 8.984 12.408 1.951 1.00 2.00 H new ATOM 0 HE2 LYS A 66 9.544 14.799 1.427 1.00 2.71 H new ATOM 0 HE3 LYS A 66 10.057 14.332 -0.182 1.00 2.71 H new ATOM 0 HZ1 LYS A 66 7.879 14.664 -0.661 1.00 4.01 H new ATOM 0 HZ2 LYS A 66 7.683 13.095 -0.043 1.00 4.01 H new ATOM 0 HZ3 LYS A 66 7.368 14.441 0.943 1.00 4.01 H new ATOM 1053 N GLU A 67 13.245 10.061 4.475 1.00 0.67 N ATOM 1054 CA GLU A 67 13.518 9.234 5.663 1.00 0.77 C ATOM 1055 C GLU A 67 14.611 9.878 6.524 1.00 0.57 C ATOM 1056 O GLU A 67 14.424 9.903 7.710 1.00 0.68 O ATOM 1057 CB GLU A 67 13.899 7.828 5.164 1.00 1.10 C ATOM 1058 CG GLU A 67 12.634 6.879 5.287 1.00 2.43 C ATOM 1059 CD GLU A 67 12.273 6.507 6.733 1.00 4.54 C ATOM 1060 OE1 GLU A 67 11.785 7.344 7.467 1.00 6.15 O ATOM 1061 OE2 GLU A 67 12.515 5.357 7.056 1.00 4.84 O ATOM 0 H GLU A 67 13.397 9.597 3.580 1.00 0.67 H new ATOM 0 HA GLU A 67 12.642 9.157 6.306 1.00 0.77 H new ATOM 0 HB2 GLU A 67 14.236 7.874 4.129 1.00 1.10 H new ATOM 0 HB3 GLU A 67 14.727 7.431 5.752 1.00 1.10 H new ATOM 0 HG2 GLU A 67 11.778 7.369 4.824 1.00 2.43 H new ATOM 0 HG3 GLU A 67 12.821 5.965 4.723 1.00 2.43 H new ATOM 1068 N ASP A 68 15.704 10.400 6.021 1.00 0.40 N ATOM 1069 CA ASP A 68 16.703 11.000 6.951 1.00 0.43 C ATOM 1070 C ASP A 68 16.042 12.118 7.765 1.00 0.47 C ATOM 1071 O ASP A 68 16.148 12.185 8.974 1.00 0.52 O ATOM 1072 CB ASP A 68 17.842 11.441 6.039 1.00 0.32 C ATOM 1073 CG ASP A 68 18.604 10.183 5.617 1.00 0.59 C ATOM 1074 OD1 ASP A 68 18.012 9.353 4.948 1.00 0.26 O ATOM 1075 OD2 ASP A 68 19.753 10.115 5.989 1.00 1.49 O ATOM 0 H ASP A 68 15.942 10.436 5.030 1.00 0.40 H new ATOM 0 HA ASP A 68 17.092 10.322 7.711 1.00 0.43 H new ATOM 0 HB2 ASP A 68 17.453 11.965 5.166 1.00 0.32 H new ATOM 0 HB3 ASP A 68 18.503 12.134 6.559 1.00 0.32 H new ATOM 1080 N ALA A 69 15.360 12.953 7.041 1.00 0.42 N ATOM 1081 CA ALA A 69 14.635 14.108 7.661 1.00 0.40 C ATOM 1082 C ALA A 69 13.625 13.525 8.691 1.00 0.37 C ATOM 1083 O ALA A 69 13.573 13.972 9.820 1.00 0.35 O ATOM 1084 CB ALA A 69 13.959 14.857 6.529 1.00 0.43 C ATOM 0 H ALA A 69 15.268 12.889 6.027 1.00 0.42 H new ATOM 0 HA ALA A 69 15.286 14.802 8.192 1.00 0.40 H new ATOM 0 HB1 ALA A 69 13.415 15.711 6.932 1.00 0.43 H new ATOM 0 HB2 ALA A 69 14.712 15.206 5.823 1.00 0.43 H new ATOM 0 HB3 ALA A 69 13.263 14.192 6.017 1.00 0.43 H new ATOM 1090 N MET A 70 12.848 12.549 8.292 1.00 0.38 N ATOM 1091 CA MET A 70 11.856 11.896 9.179 1.00 0.41 C ATOM 1092 C MET A 70 12.583 11.342 10.413 1.00 0.40 C ATOM 1093 O MET A 70 12.313 11.736 11.517 1.00 0.44 O ATOM 1094 CB MET A 70 11.191 10.773 8.386 1.00 0.44 C ATOM 1095 CG MET A 70 10.132 11.320 7.403 1.00 0.41 C ATOM 1096 SD MET A 70 8.948 10.172 6.652 1.00 0.73 S ATOM 1097 CE MET A 70 7.951 11.401 5.768 1.00 0.44 C ATOM 0 H MET A 70 12.868 12.168 7.346 1.00 0.38 H new ATOM 0 HA MET A 70 11.096 12.601 9.517 1.00 0.41 H new ATOM 0 HB2 MET A 70 11.950 10.219 7.833 1.00 0.44 H new ATOM 0 HB3 MET A 70 10.721 10.070 9.074 1.00 0.44 H new ATOM 0 HG2 MET A 70 9.560 12.084 7.929 1.00 0.41 H new ATOM 0 HG3 MET A 70 10.663 11.820 6.593 1.00 0.41 H new ATOM 0 HE1 MET A 70 6.893 11.174 5.899 1.00 0.44 H new ATOM 0 HE2 MET A 70 8.161 12.394 6.165 1.00 0.44 H new ATOM 0 HE3 MET A 70 8.198 11.375 4.707 1.00 0.44 H new ATOM 1107 N LYS A 71 13.493 10.447 10.160 1.00 0.33 N ATOM 1108 CA LYS A 71 14.315 9.782 11.211 1.00 0.30 C ATOM 1109 C LYS A 71 14.757 10.874 12.200 1.00 0.29 C ATOM 1110 O LYS A 71 14.379 10.874 13.352 1.00 0.31 O ATOM 1111 CB LYS A 71 15.575 9.122 10.570 1.00 0.29 C ATOM 1112 CG LYS A 71 15.290 7.908 9.664 1.00 0.39 C ATOM 1113 CD LYS A 71 14.760 6.700 10.466 1.00 1.77 C ATOM 1114 CE LYS A 71 15.104 5.398 9.721 1.00 3.28 C ATOM 1115 NZ LYS A 71 14.719 5.502 8.271 1.00 4.64 N ATOM 0 H LYS A 71 13.712 10.132 9.215 1.00 0.33 H new ATOM 0 HA LYS A 71 13.739 9.005 11.712 1.00 0.30 H new ATOM 0 HB2 LYS A 71 16.103 9.876 9.985 1.00 0.29 H new ATOM 0 HB3 LYS A 71 16.248 8.809 11.369 1.00 0.29 H new ATOM 0 HG2 LYS A 71 14.561 8.186 8.903 1.00 0.39 H new ATOM 0 HG3 LYS A 71 16.203 7.624 9.141 1.00 0.39 H new ATOM 0 HD2 LYS A 71 15.202 6.689 11.462 1.00 1.77 H new ATOM 0 HD3 LYS A 71 13.681 6.782 10.597 1.00 1.77 H new ATOM 0 HE2 LYS A 71 16.172 5.195 9.806 1.00 3.28 H new ATOM 0 HE3 LYS A 71 14.582 4.560 10.182 1.00 3.28 H new ATOM 0 HZ1 LYS A 71 15.217 4.769 7.726 1.00 4.64 H new ATOM 0 HZ2 LYS A 71 13.692 5.368 8.174 1.00 4.64 H new ATOM 0 HZ3 LYS A 71 14.981 6.441 7.909 1.00 4.64 H new ATOM 1129 N ALA A 72 15.532 11.789 11.677 1.00 0.30 N ATOM 1130 CA ALA A 72 16.076 12.930 12.457 1.00 0.34 C ATOM 1131 C ALA A 72 15.001 13.730 13.214 1.00 0.35 C ATOM 1132 O ALA A 72 15.200 14.114 14.344 1.00 0.49 O ATOM 1133 CB ALA A 72 16.819 13.794 11.449 1.00 0.35 C ATOM 0 H ALA A 72 15.819 11.786 10.698 1.00 0.30 H new ATOM 0 HA ALA A 72 16.732 12.567 13.248 1.00 0.34 H new ATOM 0 HB1 ALA A 72 17.248 14.658 11.957 1.00 0.35 H new ATOM 0 HB2 ALA A 72 17.616 13.211 10.988 1.00 0.35 H new ATOM 0 HB3 ALA A 72 16.126 14.133 10.679 1.00 0.35 H new ATOM 1139 N TYR A 73 13.896 13.951 12.559 1.00 0.36 N ATOM 1140 CA TYR A 73 12.730 14.714 13.133 1.00 0.31 C ATOM 1141 C TYR A 73 11.978 13.921 14.248 1.00 0.45 C ATOM 1142 O TYR A 73 11.507 14.445 15.242 1.00 0.86 O ATOM 1143 CB TYR A 73 11.873 15.029 11.902 1.00 0.26 C ATOM 1144 CG TYR A 73 10.678 15.888 12.231 1.00 0.23 C ATOM 1145 CD1 TYR A 73 9.534 15.353 12.765 1.00 2.18 C ATOM 1146 CD2 TYR A 73 10.749 17.231 11.990 1.00 2.56 C ATOM 1147 CE1 TYR A 73 8.469 16.174 13.055 1.00 2.18 C ATOM 1148 CE2 TYR A 73 9.693 18.046 12.277 1.00 2.57 C ATOM 1149 CZ TYR A 73 8.540 17.526 12.816 1.00 0.24 C ATOM 1150 OH TYR A 73 7.483 18.357 13.131 1.00 0.27 O ATOM 0 H TYR A 73 13.739 13.622 11.606 1.00 0.36 H new ATOM 0 HA TYR A 73 13.029 15.620 13.660 1.00 0.31 H new ATOM 0 HB2 TYR A 73 12.486 15.536 11.157 1.00 0.26 H new ATOM 0 HB3 TYR A 73 11.532 14.096 11.453 1.00 0.26 H new ATOM 0 HD1 TYR A 73 9.469 14.292 12.957 1.00 2.18 H new ATOM 0 HD2 TYR A 73 11.650 17.652 11.568 1.00 2.56 H new ATOM 0 HE1 TYR A 73 7.568 15.752 13.475 1.00 2.18 H new ATOM 0 HE2 TYR A 73 9.763 19.105 12.080 1.00 2.57 H new ATOM 0 HH TYR A 73 6.926 18.493 12.336 1.00 0.27 H new ATOM 1160 N ILE A 74 11.902 12.648 14.019 1.00 0.23 N ATOM 1161 CA ILE A 74 11.229 11.707 14.958 1.00 0.31 C ATOM 1162 C ILE A 74 12.126 11.677 16.171 1.00 0.38 C ATOM 1163 O ILE A 74 11.692 11.999 17.262 1.00 0.42 O ATOM 1164 CB ILE A 74 11.127 10.349 14.270 1.00 0.27 C ATOM 1165 CG1 ILE A 74 10.114 10.482 13.129 1.00 0.21 C ATOM 1166 CG2 ILE A 74 10.615 9.306 15.292 1.00 0.50 C ATOM 1167 CD1 ILE A 74 10.252 9.276 12.183 1.00 0.33 C ATOM 0 H ILE A 74 12.292 12.200 13.190 1.00 0.23 H new ATOM 0 HA ILE A 74 10.217 11.995 15.244 1.00 0.31 H new ATOM 0 HB ILE A 74 12.097 10.032 13.886 1.00 0.27 H new ATOM 0 HG12 ILE A 74 9.102 10.530 13.530 1.00 0.21 H new ATOM 0 HG13 ILE A 74 10.285 11.409 12.582 1.00 0.21 H new ATOM 0 HG21 ILE A 74 10.538 8.331 14.810 1.00 0.50 H new ATOM 0 HG22 ILE A 74 11.311 9.244 16.128 1.00 0.50 H new ATOM 0 HG23 ILE A 74 9.634 9.607 15.659 1.00 0.50 H new ATOM 0 HD11 ILE A 74 9.532 9.367 11.370 1.00 0.33 H new ATOM 0 HD12 ILE A 74 11.262 9.249 11.773 1.00 0.33 H new ATOM 0 HD13 ILE A 74 10.060 8.356 12.736 1.00 0.33 H new ATOM 1179 N ASP A 75 13.364 11.315 15.952 1.00 0.41 N ATOM 1180 CA ASP A 75 14.326 11.264 17.072 1.00 0.52 C ATOM 1181 C ASP A 75 14.341 12.654 17.707 1.00 0.51 C ATOM 1182 O ASP A 75 14.232 12.812 18.898 1.00 0.41 O ATOM 1183 CB ASP A 75 15.638 10.843 16.449 1.00 0.59 C ATOM 1184 CG ASP A 75 15.649 9.326 16.476 1.00 0.99 C ATOM 1185 OD1 ASP A 75 15.699 8.812 17.579 1.00 1.24 O ATOM 1186 OD2 ASP A 75 15.598 8.767 15.401 1.00 1.20 O ATOM 0 H ASP A 75 13.742 11.054 15.042 1.00 0.41 H new ATOM 0 HA ASP A 75 14.087 10.561 17.870 1.00 0.52 H new ATOM 0 HB2 ASP A 75 15.722 11.215 15.428 1.00 0.59 H new ATOM 0 HB3 ASP A 75 16.482 11.249 17.006 1.00 0.59 H new ATOM 1191 N LYS A 76 14.466 13.648 16.873 1.00 0.62 N ATOM 1192 CA LYS A 76 14.481 15.058 17.381 1.00 0.68 C ATOM 1193 C LYS A 76 13.344 15.236 18.382 1.00 0.64 C ATOM 1194 O LYS A 76 13.622 15.565 19.516 1.00 0.62 O ATOM 1195 CB LYS A 76 14.263 16.073 16.267 1.00 1.05 C ATOM 1196 CG LYS A 76 14.246 17.516 16.870 1.00 2.54 C ATOM 1197 CD LYS A 76 15.579 17.910 17.605 1.00 1.06 C ATOM 1198 CE LYS A 76 16.804 17.809 16.673 1.00 1.70 C ATOM 1199 NZ LYS A 76 17.863 18.713 17.220 1.00 1.42 N ATOM 0 H LYS A 76 14.559 13.550 15.862 1.00 0.62 H new ATOM 0 HA LYS A 76 15.459 15.229 17.832 1.00 0.68 H new ATOM 0 HB2 LYS A 76 15.055 15.988 15.523 1.00 1.05 H new ATOM 0 HB3 LYS A 76 13.322 15.870 15.755 1.00 1.05 H new ATOM 0 HG2 LYS A 76 14.057 18.232 16.070 1.00 2.54 H new ATOM 0 HG3 LYS A 76 13.417 17.597 17.573 1.00 2.54 H new ATOM 0 HD2 LYS A 76 15.496 18.928 17.986 1.00 1.06 H new ATOM 0 HD3 LYS A 76 15.724 17.258 18.467 1.00 1.06 H new ATOM 0 HE2 LYS A 76 17.165 16.782 16.625 1.00 1.70 H new ATOM 0 HE3 LYS A 76 16.538 18.102 15.657 1.00 1.70 H new ATOM 0 HZ1 LYS A 76 18.769 18.508 16.753 1.00 1.42 H new ATOM 0 HZ2 LYS A 76 17.599 19.703 17.044 1.00 1.42 H new ATOM 0 HZ3 LYS A 76 17.958 18.556 18.244 1.00 1.42 H new ATOM 1213 N VAL A 77 12.104 15.038 17.986 1.00 0.73 N ATOM 1214 CA VAL A 77 11.037 15.219 19.015 1.00 0.80 C ATOM 1215 C VAL A 77 11.340 14.262 20.167 1.00 0.67 C ATOM 1216 O VAL A 77 11.298 14.713 21.285 1.00 0.77 O ATOM 1217 CB VAL A 77 9.651 14.934 18.392 1.00 1.08 C ATOM 1218 CG1 VAL A 77 8.601 14.759 19.516 1.00 1.29 C ATOM 1219 CG2 VAL A 77 9.227 16.220 17.650 1.00 1.50 C ATOM 0 H VAL A 77 11.800 14.774 17.049 1.00 0.73 H new ATOM 0 HA VAL A 77 11.019 16.244 19.387 1.00 0.80 H new ATOM 0 HB VAL A 77 9.706 14.049 17.758 1.00 1.08 H new ATOM 0 HG11 VAL A 77 7.625 14.558 19.074 1.00 1.29 H new ATOM 0 HG12 VAL A 77 8.888 13.924 20.156 1.00 1.29 H new ATOM 0 HG13 VAL A 77 8.549 15.671 20.111 1.00 1.29 H new ATOM 0 HG21 VAL A 77 8.250 16.070 17.191 1.00 1.50 H new ATOM 0 HG22 VAL A 77 9.172 17.047 18.358 1.00 1.50 H new ATOM 0 HG23 VAL A 77 9.960 16.452 16.877 1.00 1.50 H new ATOM 1229 N GLU A 78 11.622 13.013 19.899 1.00 0.60 N ATOM 1230 CA GLU A 78 11.937 12.059 21.013 1.00 0.63 C ATOM 1231 C GLU A 78 12.879 12.804 22.003 1.00 0.51 C ATOM 1232 O GLU A 78 12.583 12.904 23.182 1.00 0.47 O ATOM 1233 CB GLU A 78 12.572 10.816 20.344 1.00 0.53 C ATOM 1234 CG GLU A 78 11.565 9.623 20.399 1.00 1.72 C ATOM 1235 CD GLU A 78 11.423 9.162 21.839 1.00 0.88 C ATOM 1236 OE1 GLU A 78 12.383 8.559 22.292 1.00 1.71 O ATOM 1237 OE2 GLU A 78 10.377 9.446 22.401 1.00 2.75 O ATOM 0 H GLU A 78 11.649 12.610 18.962 1.00 0.60 H new ATOM 0 HA GLU A 78 11.074 11.725 21.590 1.00 0.63 H new ATOM 0 HB2 GLU A 78 12.831 11.039 19.309 1.00 0.53 H new ATOM 0 HB3 GLU A 78 13.497 10.548 20.854 1.00 0.53 H new ATOM 0 HG2 GLU A 78 10.596 9.930 20.005 1.00 1.72 H new ATOM 0 HG3 GLU A 78 11.918 8.803 19.774 1.00 1.72 H new ATOM 1244 N GLU A 79 13.991 13.336 21.542 1.00 0.45 N ATOM 1245 CA GLU A 79 14.916 14.071 22.446 1.00 0.33 C ATOM 1246 C GLU A 79 14.213 15.297 22.993 1.00 0.24 C ATOM 1247 O GLU A 79 14.106 15.400 24.191 1.00 0.19 O ATOM 1248 CB GLU A 79 16.168 14.509 21.675 1.00 0.41 C ATOM 1249 CG GLU A 79 17.248 13.444 21.920 1.00 1.12 C ATOM 1250 CD GLU A 79 16.867 12.085 21.385 1.00 2.79 C ATOM 1251 OE1 GLU A 79 16.757 12.050 20.178 1.00 2.76 O ATOM 1252 OE2 GLU A 79 16.719 11.199 22.215 1.00 5.05 O ATOM 0 H GLU A 79 14.292 13.287 20.569 1.00 0.45 H new ATOM 0 HA GLU A 79 15.211 13.415 23.265 1.00 0.33 H new ATOM 0 HB2 GLU A 79 15.952 14.600 20.611 1.00 0.41 H new ATOM 0 HB3 GLU A 79 16.508 15.487 22.016 1.00 0.41 H new ATOM 0 HG2 GLU A 79 18.179 13.764 21.453 1.00 1.12 H new ATOM 0 HG3 GLU A 79 17.438 13.367 22.990 1.00 1.12 H new ATOM 1259 N LEU A 80 13.755 16.202 22.157 1.00 0.25 N ATOM 1260 CA LEU A 80 13.054 17.423 22.688 1.00 0.26 C ATOM 1261 C LEU A 80 12.163 17.060 23.806 1.00 0.25 C ATOM 1262 O LEU A 80 12.230 17.674 24.838 1.00 0.24 O ATOM 1263 CB LEU A 80 12.218 18.128 21.583 1.00 0.27 C ATOM 1264 CG LEU A 80 13.142 18.820 20.561 1.00 0.43 C ATOM 1265 CD1 LEU A 80 12.249 19.615 19.619 1.00 0.57 C ATOM 1266 CD2 LEU A 80 14.044 19.861 21.270 1.00 0.57 C ATOM 0 H LEU A 80 13.834 16.152 21.141 1.00 0.25 H new ATOM 0 HA LEU A 80 13.824 18.111 23.036 1.00 0.26 H new ATOM 0 HB2 LEU A 80 11.588 17.398 21.075 1.00 0.27 H new ATOM 0 HB3 LEU A 80 11.553 18.863 22.036 1.00 0.27 H new ATOM 0 HG LEU A 80 13.750 18.069 20.056 1.00 0.43 H new ATOM 0 HD11 LEU A 80 12.864 20.123 18.876 1.00 0.57 H new ATOM 0 HD12 LEU A 80 11.557 18.939 19.116 1.00 0.57 H new ATOM 0 HD13 LEU A 80 11.685 20.353 20.189 1.00 0.57 H new ATOM 0 HD21 LEU A 80 14.691 20.342 20.536 1.00 0.57 H new ATOM 0 HD22 LEU A 80 13.421 20.614 21.753 1.00 0.57 H new ATOM 0 HD23 LEU A 80 14.656 19.361 22.021 1.00 0.57 H new ATOM 1278 N LYS A 81 11.365 16.077 23.617 1.00 0.31 N ATOM 1279 CA LYS A 81 10.436 15.642 24.694 1.00 0.33 C ATOM 1280 C LYS A 81 11.246 15.079 25.854 1.00 0.38 C ATOM 1281 O LYS A 81 10.934 15.359 26.988 1.00 0.50 O ATOM 1282 CB LYS A 81 9.482 14.626 24.046 1.00 0.25 C ATOM 1283 CG LYS A 81 8.539 13.902 25.041 1.00 0.27 C ATOM 1284 CD LYS A 81 9.290 12.741 25.762 1.00 2.62 C ATOM 1285 CE LYS A 81 8.413 12.097 26.818 1.00 3.91 C ATOM 1286 NZ LYS A 81 7.345 11.290 26.149 1.00 3.94 N ATOM 0 H LYS A 81 11.305 15.538 22.753 1.00 0.31 H new ATOM 0 HA LYS A 81 9.846 16.455 25.117 1.00 0.33 H new ATOM 0 HB2 LYS A 81 8.876 15.141 23.300 1.00 0.25 H new ATOM 0 HB3 LYS A 81 10.073 13.879 23.516 1.00 0.25 H new ATOM 0 HG2 LYS A 81 8.164 14.612 25.778 1.00 0.27 H new ATOM 0 HG3 LYS A 81 7.673 13.507 24.509 1.00 0.27 H new ATOM 0 HD2 LYS A 81 9.595 11.992 25.031 1.00 2.62 H new ATOM 0 HD3 LYS A 81 10.200 13.124 26.224 1.00 2.62 H new ATOM 0 HE2 LYS A 81 9.014 11.460 27.467 1.00 3.91 H new ATOM 0 HE3 LYS A 81 7.964 12.863 27.451 1.00 3.91 H new ATOM 0 HZ1 LYS A 81 6.805 10.766 26.867 1.00 3.94 H new ATOM 0 HZ2 LYS A 81 6.705 11.924 25.629 1.00 3.94 H new ATOM 0 HZ3 LYS A 81 7.782 10.618 25.486 1.00 3.94 H new ATOM 1300 N LYS A 82 12.261 14.299 25.623 1.00 0.37 N ATOM 1301 CA LYS A 82 13.028 13.782 26.805 1.00 0.46 C ATOM 1302 C LYS A 82 13.692 14.959 27.553 1.00 0.66 C ATOM 1303 O LYS A 82 13.889 14.911 28.747 1.00 1.13 O ATOM 1304 CB LYS A 82 14.036 12.774 26.258 1.00 0.61 C ATOM 1305 CG LYS A 82 13.217 11.501 25.915 1.00 0.84 C ATOM 1306 CD LYS A 82 14.093 10.426 25.238 1.00 1.59 C ATOM 1307 CE LYS A 82 14.104 10.612 23.738 1.00 2.73 C ATOM 1308 NZ LYS A 82 14.827 9.472 23.120 1.00 3.40 N ATOM 0 H LYS A 82 12.591 14.001 24.705 1.00 0.37 H new ATOM 0 HA LYS A 82 12.388 13.289 27.536 1.00 0.46 H new ATOM 0 HB2 LYS A 82 14.540 13.165 25.374 1.00 0.61 H new ATOM 0 HB3 LYS A 82 14.809 12.555 26.995 1.00 0.61 H new ATOM 0 HG2 LYS A 82 12.779 11.093 26.826 1.00 0.84 H new ATOM 0 HG3 LYS A 82 12.391 11.766 25.255 1.00 0.84 H new ATOM 0 HD2 LYS A 82 15.111 10.483 25.624 1.00 1.59 H new ATOM 0 HD3 LYS A 82 13.714 9.434 25.484 1.00 1.59 H new ATOM 0 HE2 LYS A 82 13.084 10.664 23.357 1.00 2.73 H new ATOM 0 HE3 LYS A 82 14.590 11.553 23.478 1.00 2.73 H new ATOM 0 HZ1 LYS A 82 15.608 9.832 22.535 1.00 3.40 H new ATOM 0 HZ2 LYS A 82 15.209 8.857 23.867 1.00 3.40 H new ATOM 0 HZ3 LYS A 82 14.171 8.927 22.525 1.00 3.40 H new ATOM 1322 N LYS A 83 14.020 15.979 26.812 1.00 0.35 N ATOM 1323 CA LYS A 83 14.670 17.250 27.297 1.00 0.46 C ATOM 1324 C LYS A 83 13.726 18.242 28.020 1.00 0.36 C ATOM 1325 O LYS A 83 13.977 18.660 29.130 1.00 0.36 O ATOM 1326 CB LYS A 83 15.296 17.899 26.050 1.00 0.60 C ATOM 1327 CG LYS A 83 16.428 18.902 26.411 1.00 1.11 C ATOM 1328 CD LYS A 83 16.930 19.661 25.124 1.00 1.28 C ATOM 1329 CE LYS A 83 17.378 18.719 23.981 1.00 2.97 C ATOM 1330 NZ LYS A 83 18.613 17.960 24.397 1.00 4.63 N ATOM 0 H LYS A 83 13.852 15.988 25.806 1.00 0.35 H new ATOM 0 HA LYS A 83 15.401 16.997 28.064 1.00 0.46 H new ATOM 0 HB2 LYS A 83 15.697 17.121 25.401 1.00 0.60 H new ATOM 0 HB3 LYS A 83 14.521 18.417 25.485 1.00 0.60 H new ATOM 0 HG2 LYS A 83 16.063 19.621 27.145 1.00 1.11 H new ATOM 0 HG3 LYS A 83 17.259 18.369 26.873 1.00 1.11 H new ATOM 0 HD2 LYS A 83 16.131 20.306 24.759 1.00 1.28 H new ATOM 0 HD3 LYS A 83 17.763 20.309 25.397 1.00 1.28 H new ATOM 0 HE2 LYS A 83 16.577 18.022 23.737 1.00 2.97 H new ATOM 0 HE3 LYS A 83 17.582 19.297 23.080 1.00 2.97 H new ATOM 0 HZ1 LYS A 83 18.909 17.329 23.625 1.00 4.63 H new ATOM 0 HZ2 LYS A 83 19.379 18.632 24.608 1.00 4.63 H new ATOM 0 HZ3 LYS A 83 18.404 17.395 25.245 1.00 4.63 H new ATOM 1344 N TYR A 84 12.672 18.575 27.345 1.00 0.31 N ATOM 1345 CA TYR A 84 11.609 19.532 27.860 1.00 0.25 C ATOM 1346 C TYR A 84 10.407 18.833 28.561 1.00 0.40 C ATOM 1347 O TYR A 84 9.682 19.486 29.289 1.00 1.35 O ATOM 1348 CB TYR A 84 10.979 20.397 26.708 1.00 0.63 C ATOM 1349 CG TYR A 84 11.925 21.453 26.117 1.00 0.90 C ATOM 1350 CD1 TYR A 84 12.249 22.555 26.883 1.00 0.80 C ATOM 1351 CD2 TYR A 84 12.439 21.354 24.835 1.00 1.38 C ATOM 1352 CE1 TYR A 84 13.071 23.541 26.377 1.00 1.15 C ATOM 1353 CE2 TYR A 84 13.264 22.355 24.338 1.00 1.68 C ATOM 1354 CZ TYR A 84 13.580 23.450 25.106 1.00 1.57 C ATOM 1355 OH TYR A 84 14.380 24.460 24.616 1.00 1.91 O ATOM 0 H TYR A 84 12.476 18.216 26.410 1.00 0.31 H new ATOM 0 HA TYR A 84 12.156 20.143 28.578 1.00 0.25 H new ATOM 0 HB2 TYR A 84 10.652 19.732 25.909 1.00 0.63 H new ATOM 0 HB3 TYR A 84 10.090 20.897 27.091 1.00 0.63 H new ATOM 0 HD1 TYR A 84 11.856 22.646 27.885 1.00 0.80 H new ATOM 0 HD2 TYR A 84 12.198 20.498 24.221 1.00 1.38 H new ATOM 0 HE1 TYR A 84 13.317 24.396 26.990 1.00 1.15 H new ATOM 0 HE2 TYR A 84 13.661 22.272 23.337 1.00 1.68 H new ATOM 0 HH TYR A 84 14.659 24.242 23.702 1.00 1.91 H new