USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=25 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 83 LYS NZ :NH3+ -118:sc= 2.72 (180deg=-0.77) USER MOD Set 1.2: A 84 TYR OH : rot 30:sc= 0.274 USER MOD Set 2.1: A 59 ASN : amide:sc= -0.0397! C(o=-3!,f=-20!) USER MOD Set 2.2: A 62 LYS NZ :NH3+ 162:sc= -2.91! (180deg=-4.05!) USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 1.08 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -118:sc= 1.81 (180deg=-1.81!) USER MOD Set 4.1: A 29 SER OG : rot -64:sc= 1.14 USER MOD Set 4.2: A 30 HIS : no HE2:sc= -5.76! C(o=-4.6!,f=-17!) USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= -2.51! (180deg=-4.84!) USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= -0.0401 (180deg=-0.389) USER MOD Single : A 14 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.1!) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00344) 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 155:sc= -0.322 (180deg=-1.48!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -5.34! C(o=-5.3!,f=-6.7!) USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.801 USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= 0.597 (180deg=-0.00573) USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= -0.0394! (180deg=-0.0821!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 143:sc= 0.202 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -100:sc= -0.0861 (180deg=-1.73!) USER MOD Single : A 71 LYS NZ :NH3+ -163:sc= -7.51! (180deg=-7.99!) USER MOD Single : A 73 TYR OH : rot -100:sc= -1.22 USER MOD Single : A 76 LYS NZ :NH3+ -132:sc= 0.724 (180deg=-1.74!) USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= -0.308 (180deg=-1.5!) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.036 (180deg=-0.201) USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.401 6.955 11.136 1.00 0.26 N ATOM 32 CA ALA A 3 3.064 7.053 12.591 1.00 0.30 C ATOM 33 C ALA A 3 4.033 7.852 13.442 1.00 0.17 C ATOM 34 O ALA A 3 3.624 8.814 14.062 1.00 0.15 O ATOM 35 CB ALA A 3 2.932 5.619 13.108 1.00 0.42 C ATOM 0 HA ALA A 3 2.137 7.620 12.678 1.00 0.30 H new ATOM 0 HB1 ALA A 3 2.686 5.636 14.170 1.00 0.42 H new ATOM 0 HB2 ALA A 3 2.141 5.106 12.560 1.00 0.42 H new ATOM 0 HB3 ALA A 3 3.875 5.092 12.963 1.00 0.42 H new ATOM 41 N GLU A 4 5.264 7.427 13.484 1.00 0.17 N ATOM 42 CA GLU A 4 6.230 8.203 14.300 1.00 0.22 C ATOM 43 C GLU A 4 6.315 9.590 13.756 1.00 0.35 C ATOM 44 O GLU A 4 5.767 10.446 14.383 1.00 1.06 O ATOM 45 CB GLU A 4 7.559 7.438 14.285 1.00 0.33 C ATOM 46 CG GLU A 4 7.255 5.917 14.710 1.00 0.88 C ATOM 47 CD GLU A 4 6.026 5.847 15.639 1.00 3.58 C ATOM 48 OE1 GLU A 4 6.083 6.435 16.703 1.00 4.45 O ATOM 49 OE2 GLU A 4 5.039 5.239 15.264 1.00 4.85 O ATOM 0 H GLU A 4 5.632 6.605 13.006 1.00 0.17 H new ATOM 0 HA GLU A 4 5.923 8.307 15.341 1.00 0.22 H new ATOM 0 HB2 GLU A 4 8.010 7.475 13.293 1.00 0.33 H new ATOM 0 HB3 GLU A 4 8.270 7.893 14.975 1.00 0.33 H new ATOM 0 HG2 GLU A 4 7.079 5.313 13.820 1.00 0.88 H new ATOM 0 HG3 GLU A 4 8.124 5.495 15.215 1.00 0.88 H new ATOM 56 N PHE A 5 6.952 9.828 12.669 1.00 0.44 N ATOM 57 CA PHE A 5 7.043 11.218 12.097 1.00 0.35 C ATOM 58 C PHE A 5 5.843 12.105 12.410 1.00 0.31 C ATOM 59 O PHE A 5 6.010 13.154 13.000 1.00 0.34 O ATOM 60 CB PHE A 5 7.199 11.084 10.630 1.00 0.27 C ATOM 61 CG PHE A 5 7.348 12.454 9.983 1.00 0.34 C ATOM 62 CD1 PHE A 5 8.566 13.093 10.030 1.00 0.31 C ATOM 63 CD2 PHE A 5 6.292 13.060 9.351 1.00 0.43 C ATOM 64 CE1 PHE A 5 8.729 14.324 9.449 1.00 0.36 C ATOM 65 CE2 PHE A 5 6.450 14.289 8.773 1.00 0.49 C ATOM 66 CZ PHE A 5 7.667 14.930 8.815 1.00 0.45 C ATOM 0 H PHE A 5 7.433 9.114 12.122 1.00 0.44 H new ATOM 0 HA PHE A 5 7.895 11.714 12.562 1.00 0.35 H new ATOM 0 HB2 PHE A 5 8.073 10.472 10.406 1.00 0.27 H new ATOM 0 HB3 PHE A 5 6.334 10.570 10.212 1.00 0.27 H new ATOM 0 HD1 PHE A 5 9.400 12.621 10.528 1.00 0.31 H new ATOM 0 HD2 PHE A 5 5.333 12.565 9.310 1.00 0.43 H new ATOM 0 HE1 PHE A 5 9.689 14.818 9.488 1.00 0.36 H new ATOM 0 HE2 PHE A 5 5.613 14.760 8.280 1.00 0.49 H new ATOM 0 HZ PHE A 5 7.788 15.900 8.355 1.00 0.45 H new ATOM 76 N ASP A 6 4.683 11.662 11.997 1.00 0.28 N ATOM 77 CA ASP A 6 3.459 12.454 12.262 1.00 0.27 C ATOM 78 C ASP A 6 3.337 12.660 13.763 1.00 0.23 C ATOM 79 O ASP A 6 3.121 13.747 14.249 1.00 0.25 O ATOM 80 CB ASP A 6 2.350 11.645 11.633 1.00 0.33 C ATOM 81 CG ASP A 6 2.540 11.634 10.113 1.00 0.33 C ATOM 82 OD1 ASP A 6 2.785 12.701 9.563 1.00 1.77 O ATOM 83 OD2 ASP A 6 2.422 10.526 9.606 1.00 2.14 O ATOM 0 H ASP A 6 4.537 10.789 11.490 1.00 0.28 H new ATOM 0 HA ASP A 6 3.447 13.459 11.840 1.00 0.27 H new ATOM 0 HB2 ASP A 6 2.361 10.626 12.021 1.00 0.33 H new ATOM 0 HB3 ASP A 6 1.381 12.073 11.888 1.00 0.33 H new ATOM 88 N LYS A 7 3.486 11.589 14.485 1.00 0.18 N ATOM 89 CA LYS A 7 3.402 11.680 15.961 1.00 0.14 C ATOM 90 C LYS A 7 4.473 12.711 16.365 1.00 0.14 C ATOM 91 O LYS A 7 4.158 13.593 17.120 1.00 0.13 O ATOM 92 CB LYS A 7 3.677 10.289 16.515 1.00 0.11 C ATOM 93 CG LYS A 7 3.458 10.214 18.017 1.00 0.20 C ATOM 94 CD LYS A 7 3.706 8.736 18.500 1.00 0.28 C ATOM 95 CE LYS A 7 2.917 7.686 17.671 1.00 0.29 C ATOM 96 NZ LYS A 7 3.713 7.295 16.464 1.00 0.64 N ATOM 0 H LYS A 7 3.662 10.655 14.115 1.00 0.18 H new ATOM 0 HA LYS A 7 2.433 11.998 16.346 1.00 0.14 H new ATOM 0 HB2 LYS A 7 3.028 9.568 16.019 1.00 0.11 H new ATOM 0 HB3 LYS A 7 4.704 10.005 16.285 1.00 0.11 H new ATOM 0 HG2 LYS A 7 4.136 10.896 18.530 1.00 0.20 H new ATOM 0 HG3 LYS A 7 2.443 10.526 18.265 1.00 0.20 H new ATOM 0 HD2 LYS A 7 4.771 8.513 18.438 1.00 0.28 H new ATOM 0 HD3 LYS A 7 3.423 8.650 19.549 1.00 0.28 H new ATOM 0 HE2 LYS A 7 2.709 6.808 18.282 1.00 0.29 H new ATOM 0 HE3 LYS A 7 1.955 8.097 17.366 1.00 0.29 H new ATOM 0 HZ1 LYS A 7 3.489 6.313 16.204 1.00 0.64 H new ATOM 0 HZ2 LYS A 7 3.475 7.926 15.672 1.00 0.64 H new ATOM 0 HZ3 LYS A 7 4.728 7.374 16.677 1.00 0.64 H new ATOM 110 N ALA A 8 5.695 12.632 15.886 1.00 0.15 N ATOM 111 CA ALA A 8 6.664 13.679 16.331 1.00 0.14 C ATOM 112 C ALA A 8 6.105 15.081 15.997 1.00 0.18 C ATOM 113 O ALA A 8 6.080 15.969 16.821 1.00 0.26 O ATOM 114 CB ALA A 8 8.003 13.380 15.626 1.00 0.15 C ATOM 0 H ALA A 8 6.048 11.926 15.240 1.00 0.15 H new ATOM 0 HA ALA A 8 6.822 13.665 17.409 1.00 0.14 H new ATOM 0 HB1 ALA A 8 8.744 14.122 15.922 1.00 0.15 H new ATOM 0 HB2 ALA A 8 8.350 12.387 15.911 1.00 0.15 H new ATOM 0 HB3 ALA A 8 7.862 13.419 14.546 1.00 0.15 H new ATOM 120 N ALA A 9 5.657 15.219 14.787 1.00 0.18 N ATOM 121 CA ALA A 9 5.085 16.511 14.309 1.00 0.18 C ATOM 122 C ALA A 9 3.943 16.997 15.222 1.00 0.16 C ATOM 123 O ALA A 9 3.934 18.140 15.653 1.00 0.18 O ATOM 124 CB ALA A 9 4.587 16.301 12.880 1.00 0.19 C ATOM 0 H ALA A 9 5.661 14.475 14.089 1.00 0.18 H new ATOM 0 HA ALA A 9 5.853 17.284 14.334 1.00 0.18 H new ATOM 0 HB1 ALA A 9 4.162 17.231 12.502 1.00 0.19 H new ATOM 0 HB2 ALA A 9 5.420 15.999 12.245 1.00 0.19 H new ATOM 0 HB3 ALA A 9 3.823 15.523 12.871 1.00 0.19 H new ATOM 130 N GLU A 10 3.031 16.121 15.547 1.00 0.17 N ATOM 131 CA GLU A 10 1.887 16.519 16.413 1.00 0.24 C ATOM 132 C GLU A 10 2.418 16.749 17.837 1.00 0.22 C ATOM 133 O GLU A 10 2.046 17.699 18.490 1.00 0.27 O ATOM 134 CB GLU A 10 0.857 15.376 16.337 1.00 0.33 C ATOM 135 CG GLU A 10 -0.435 15.781 17.092 1.00 0.28 C ATOM 136 CD GLU A 10 -1.524 14.722 16.895 1.00 0.39 C ATOM 137 OE1 GLU A 10 -1.337 13.661 17.466 1.00 2.36 O ATOM 138 OE2 GLU A 10 -2.463 15.051 16.187 1.00 2.10 O ATOM 0 H GLU A 10 3.030 15.145 15.249 1.00 0.17 H new ATOM 0 HA GLU A 10 1.408 17.445 16.095 1.00 0.24 H new ATOM 0 HB2 GLU A 10 0.625 15.152 15.296 1.00 0.33 H new ATOM 0 HB3 GLU A 10 1.275 14.469 16.773 1.00 0.33 H new ATOM 0 HG2 GLU A 10 -0.221 15.898 18.154 1.00 0.28 H new ATOM 0 HG3 GLU A 10 -0.788 16.746 16.729 1.00 0.28 H new ATOM 145 N GLU A 11 3.277 15.892 18.296 1.00 0.20 N ATOM 146 CA GLU A 11 3.865 16.003 19.646 1.00 0.34 C ATOM 147 C GLU A 11 4.536 17.364 19.810 1.00 0.27 C ATOM 148 O GLU A 11 4.188 18.142 20.676 1.00 0.35 O ATOM 149 CB GLU A 11 4.886 14.884 19.781 1.00 0.49 C ATOM 150 CG GLU A 11 4.269 13.488 20.010 1.00 0.80 C ATOM 151 CD GLU A 11 3.702 13.424 21.404 1.00 1.23 C ATOM 152 OE1 GLU A 11 4.522 13.295 22.299 1.00 2.62 O ATOM 153 OE2 GLU A 11 2.495 13.514 21.466 1.00 2.17 O ATOM 0 H GLU A 11 3.607 15.086 17.765 1.00 0.20 H new ATOM 0 HA GLU A 11 3.099 15.916 20.417 1.00 0.34 H new ATOM 0 HB2 GLU A 11 5.498 14.855 18.879 1.00 0.49 H new ATOM 0 HB3 GLU A 11 5.553 15.115 20.612 1.00 0.49 H new ATOM 0 HG2 GLU A 11 3.486 13.298 19.276 1.00 0.80 H new ATOM 0 HG3 GLU A 11 5.026 12.715 19.876 1.00 0.80 H new ATOM 160 N VAL A 12 5.487 17.630 18.949 1.00 0.15 N ATOM 161 CA VAL A 12 6.226 18.926 19.009 1.00 0.13 C ATOM 162 C VAL A 12 5.183 20.020 18.995 1.00 0.17 C ATOM 163 O VAL A 12 5.227 20.909 19.823 1.00 0.23 O ATOM 164 CB VAL A 12 7.209 18.970 17.802 1.00 0.19 C ATOM 165 CG1 VAL A 12 6.725 19.725 16.561 1.00 0.19 C ATOM 166 CG2 VAL A 12 8.515 19.627 18.267 1.00 0.20 C ATOM 0 H VAL A 12 5.784 17.000 18.203 1.00 0.15 H new ATOM 0 HA VAL A 12 6.830 19.052 19.908 1.00 0.13 H new ATOM 0 HB VAL A 12 7.321 17.931 17.491 1.00 0.19 H new ATOM 0 HG11 VAL A 12 7.494 19.687 15.789 1.00 0.19 H new ATOM 0 HG12 VAL A 12 5.812 19.262 16.187 1.00 0.19 H new ATOM 0 HG13 VAL A 12 6.525 20.764 16.822 1.00 0.19 H new ATOM 0 HG21 VAL A 12 9.218 19.668 17.435 1.00 0.20 H new ATOM 0 HG22 VAL A 12 8.309 20.638 18.618 1.00 0.20 H new ATOM 0 HG23 VAL A 12 8.947 19.043 19.079 1.00 0.20 H new ATOM 176 N LYS A 13 4.263 19.939 18.072 1.00 0.37 N ATOM 177 CA LYS A 13 3.199 20.988 18.029 1.00 0.64 C ATOM 178 C LYS A 13 2.459 21.273 19.365 1.00 0.44 C ATOM 179 O LYS A 13 1.705 22.226 19.422 1.00 0.39 O ATOM 180 CB LYS A 13 2.181 20.576 16.991 1.00 1.13 C ATOM 181 CG LYS A 13 2.698 20.901 15.588 1.00 1.79 C ATOM 182 CD LYS A 13 1.569 20.587 14.575 1.00 2.21 C ATOM 183 CE LYS A 13 0.259 21.320 14.929 1.00 2.31 C ATOM 184 NZ LYS A 13 0.555 22.779 15.121 1.00 3.54 N ATOM 0 H LYS A 13 4.199 19.211 17.360 1.00 0.37 H new ATOM 0 HA LYS A 13 3.714 21.919 17.792 1.00 0.64 H new ATOM 0 HB2 LYS A 13 1.978 19.508 17.074 1.00 1.13 H new ATOM 0 HB3 LYS A 13 1.239 21.094 17.169 1.00 1.13 H new ATOM 0 HG2 LYS A 13 2.987 21.950 15.522 1.00 1.79 H new ATOM 0 HG3 LYS A 13 3.586 20.311 15.363 1.00 1.79 H new ATOM 0 HD2 LYS A 13 1.888 20.877 13.574 1.00 2.21 H new ATOM 0 HD3 LYS A 13 1.389 19.512 14.553 1.00 2.21 H new ATOM 0 HE2 LYS A 13 -0.475 21.186 14.134 1.00 2.31 H new ATOM 0 HE3 LYS A 13 -0.174 20.901 15.837 1.00 2.31 H new ATOM 0 HZ1 LYS A 13 -0.313 23.332 14.973 1.00 3.54 H new ATOM 0 HZ2 LYS A 13 0.906 22.938 16.087 1.00 3.54 H new ATOM 0 HZ3 LYS A 13 1.278 23.080 14.436 1.00 3.54 H new ATOM 198 N HIS A 14 2.682 20.473 20.369 1.00 0.33 N ATOM 199 CA HIS A 14 2.013 20.667 21.695 1.00 0.12 C ATOM 200 C HIS A 14 3.000 20.513 22.868 1.00 0.16 C ATOM 201 O HIS A 14 2.574 20.239 23.974 1.00 0.21 O ATOM 202 CB HIS A 14 0.874 19.633 21.856 1.00 0.19 C ATOM 203 CG HIS A 14 -0.078 19.714 20.682 1.00 0.11 C ATOM 204 ND1 HIS A 14 0.073 19.015 19.621 1.00 0.29 N ATOM 205 CD2 HIS A 14 -1.212 20.464 20.451 1.00 0.33 C ATOM 206 CE1 HIS A 14 -0.876 19.287 18.779 1.00 0.42 C ATOM 207 NE2 HIS A 14 -1.700 20.187 19.258 1.00 0.51 N ATOM 0 H HIS A 14 3.314 19.673 20.330 1.00 0.33 H new ATOM 0 HA HIS A 14 1.616 21.682 21.717 1.00 0.12 H new ATOM 0 HB2 HIS A 14 1.292 18.629 21.925 1.00 0.19 H new ATOM 0 HB3 HIS A 14 0.334 19.818 22.785 1.00 0.19 H new ATOM 0 HD1 HIS A 14 0.826 18.345 19.461 1.00 0.29 H new ATOM 0 HD2 HIS A 14 -1.638 21.174 21.145 1.00 0.33 H new ATOM 0 HE1 HIS A 14 -0.975 18.829 17.806 1.00 0.42 H new ATOM 215 N LEU A 15 4.286 20.689 22.657 1.00 0.32 N ATOM 216 CA LEU A 15 5.173 20.519 23.852 1.00 0.56 C ATOM 217 C LEU A 15 4.842 21.591 24.914 1.00 0.78 C ATOM 218 O LEU A 15 4.432 22.696 24.614 1.00 0.83 O ATOM 219 CB LEU A 15 6.664 20.685 23.494 1.00 0.89 C ATOM 220 CG LEU A 15 7.117 19.788 22.339 1.00 1.21 C ATOM 221 CD1 LEU A 15 8.637 19.870 22.265 1.00 1.49 C ATOM 222 CD2 LEU A 15 6.719 18.309 22.528 1.00 1.16 C ATOM 0 H LEU A 15 4.736 20.927 21.773 1.00 0.32 H new ATOM 0 HA LEU A 15 4.997 19.512 24.229 1.00 0.56 H new ATOM 0 HB2 LEU A 15 6.853 21.726 23.231 1.00 0.89 H new ATOM 0 HB3 LEU A 15 7.268 20.464 24.374 1.00 0.89 H new ATOM 0 HG LEU A 15 6.630 20.138 21.429 1.00 1.21 H new ATOM 0 HD11 LEU A 15 8.996 19.241 21.450 1.00 1.49 H new ATOM 0 HD12 LEU A 15 8.937 20.902 22.086 1.00 1.49 H new ATOM 0 HD13 LEU A 15 9.066 19.525 23.206 1.00 1.49 H new ATOM 0 HD21 LEU A 15 7.069 17.726 21.676 1.00 1.16 H new ATOM 0 HD22 LEU A 15 7.172 17.924 23.442 1.00 1.16 H new ATOM 0 HD23 LEU A 15 5.634 18.231 22.600 1.00 1.16 H new ATOM 234 N LYS A 16 5.056 21.196 26.143 1.00 0.94 N ATOM 235 CA LYS A 16 4.813 22.054 27.346 1.00 1.11 C ATOM 236 C LYS A 16 5.460 23.424 27.155 1.00 0.90 C ATOM 237 O LYS A 16 4.948 24.464 27.516 1.00 1.06 O ATOM 238 CB LYS A 16 5.406 21.332 28.596 1.00 1.29 C ATOM 239 CG LYS A 16 4.503 20.175 29.126 1.00 2.48 C ATOM 240 CD LYS A 16 3.229 20.773 29.811 1.00 2.06 C ATOM 241 CE LYS A 16 2.553 19.744 30.752 1.00 3.63 C ATOM 242 NZ LYS A 16 2.026 18.594 29.960 1.00 5.78 N ATOM 0 H LYS A 16 5.407 20.266 26.372 1.00 0.94 H new ATOM 0 HA LYS A 16 3.743 22.207 27.487 1.00 1.11 H new ATOM 0 HB2 LYS A 16 6.388 20.931 28.344 1.00 1.29 H new ATOM 0 HB3 LYS A 16 5.555 22.062 29.392 1.00 1.29 H new ATOM 0 HG2 LYS A 16 4.213 19.521 28.304 1.00 2.48 H new ATOM 0 HG3 LYS A 16 5.058 19.564 29.838 1.00 2.48 H new ATOM 0 HD2 LYS A 16 3.504 21.662 30.379 1.00 2.06 H new ATOM 0 HD3 LYS A 16 2.519 21.090 29.047 1.00 2.06 H new ATOM 0 HE2 LYS A 16 3.271 19.388 31.491 1.00 3.63 H new ATOM 0 HE3 LYS A 16 1.741 20.220 31.301 1.00 3.63 H new ATOM 0 HZ1 LYS A 16 1.545 17.926 30.596 1.00 5.78 H new ATOM 0 HZ2 LYS A 16 1.352 18.942 29.249 1.00 5.78 H new ATOM 0 HZ3 LYS A 16 2.814 18.111 29.483 1.00 5.78 H new ATOM 256 N THR A 17 6.610 23.349 26.571 1.00 0.64 N ATOM 257 CA THR A 17 7.393 24.601 26.305 1.00 0.54 C ATOM 258 C THR A 17 7.578 24.878 24.810 1.00 0.68 C ATOM 259 O THR A 17 7.322 24.076 23.933 1.00 0.82 O ATOM 260 CB THR A 17 8.807 24.502 26.949 1.00 0.59 C ATOM 261 OG1 THR A 17 8.625 23.877 28.203 1.00 0.69 O ATOM 262 CG2 THR A 17 9.369 25.866 27.395 1.00 1.20 C ATOM 0 H THR A 17 7.053 22.484 26.262 1.00 0.64 H new ATOM 0 HA THR A 17 6.817 25.416 26.743 1.00 0.54 H new ATOM 0 HB THR A 17 9.452 24.016 26.217 1.00 0.59 H new ATOM 0 HG1 THR A 17 9.491 23.788 28.653 1.00 0.69 H new ATOM 0 HG21 THR A 17 10.356 25.726 27.835 1.00 1.20 H new ATOM 0 HG22 THR A 17 9.447 26.527 26.532 1.00 1.20 H new ATOM 0 HG23 THR A 17 8.702 26.310 28.134 1.00 1.20 H new ATOM 270 N LYS A 18 8.054 26.073 24.607 1.00 0.81 N ATOM 271 CA LYS A 18 8.346 26.628 23.259 1.00 1.20 C ATOM 272 C LYS A 18 9.854 26.277 23.135 1.00 1.25 C ATOM 273 O LYS A 18 10.646 26.788 23.911 1.00 1.30 O ATOM 274 CB LYS A 18 8.077 28.134 23.352 1.00 1.48 C ATOM 275 CG LYS A 18 7.805 28.787 21.984 1.00 2.71 C ATOM 276 CD LYS A 18 7.736 30.320 22.265 1.00 2.91 C ATOM 277 CE LYS A 18 7.232 31.114 21.065 1.00 2.67 C ATOM 278 NZ LYS A 18 7.308 32.563 21.447 1.00 4.29 N ATOM 0 H LYS A 18 8.263 26.722 25.366 1.00 0.81 H new ATOM 0 HA LYS A 18 7.772 26.261 22.408 1.00 1.20 H new ATOM 0 HB2 LYS A 18 7.221 28.304 24.005 1.00 1.48 H new ATOM 0 HB3 LYS A 18 8.934 28.622 23.816 1.00 1.48 H new ATOM 0 HG2 LYS A 18 8.597 28.553 21.272 1.00 2.71 H new ATOM 0 HG3 LYS A 18 6.872 28.424 21.554 1.00 2.71 H new ATOM 0 HD2 LYS A 18 7.080 30.500 23.117 1.00 2.91 H new ATOM 0 HD3 LYS A 18 8.727 30.679 22.544 1.00 2.91 H new ATOM 0 HE2 LYS A 18 7.841 30.913 20.184 1.00 2.67 H new ATOM 0 HE3 LYS A 18 6.209 30.832 20.816 1.00 2.67 H new ATOM 0 HZ1 LYS A 18 6.973 33.149 20.656 1.00 4.29 H new ATOM 0 HZ2 LYS A 18 6.711 32.734 22.281 1.00 4.29 H new ATOM 0 HZ3 LYS A 18 8.293 32.812 21.669 1.00 4.29 H new ATOM 292 N PRO A 19 10.236 25.421 22.210 1.00 1.31 N ATOM 293 CA PRO A 19 11.667 25.041 22.039 1.00 1.42 C ATOM 294 C PRO A 19 12.445 26.162 21.328 1.00 1.05 C ATOM 295 O PRO A 19 11.881 27.000 20.650 1.00 0.89 O ATOM 296 CB PRO A 19 11.582 23.739 21.257 1.00 1.73 C ATOM 297 CG PRO A 19 10.422 24.067 20.282 1.00 1.55 C ATOM 298 CD PRO A 19 9.364 24.712 21.225 1.00 1.34 C ATOM 0 HA PRO A 19 12.218 24.903 22.969 1.00 1.42 H new ATOM 0 HB2 PRO A 19 12.510 23.509 20.734 1.00 1.73 H new ATOM 0 HB3 PRO A 19 11.357 22.886 21.897 1.00 1.73 H new ATOM 0 HG2 PRO A 19 10.735 24.752 19.494 1.00 1.55 H new ATOM 0 HG3 PRO A 19 10.038 23.172 19.792 1.00 1.55 H new ATOM 0 HD2 PRO A 19 8.704 25.398 20.693 1.00 1.34 H new ATOM 0 HD3 PRO A 19 8.730 23.965 21.702 1.00 1.34 H new ATOM 306 N ALA A 20 13.738 26.145 21.496 1.00 0.97 N ATOM 307 CA ALA A 20 14.577 27.208 20.847 1.00 0.77 C ATOM 308 C ALA A 20 14.461 27.280 19.300 1.00 0.44 C ATOM 309 O ALA A 20 14.169 26.302 18.629 1.00 0.39 O ATOM 310 CB ALA A 20 16.031 26.949 21.281 1.00 0.87 C ATOM 0 H ALA A 20 14.250 25.455 22.045 1.00 0.97 H new ATOM 0 HA ALA A 20 14.212 28.181 21.178 1.00 0.77 H new ATOM 0 HB1 ALA A 20 16.683 27.699 20.833 1.00 0.87 H new ATOM 0 HB2 ALA A 20 16.102 27.008 22.367 1.00 0.87 H new ATOM 0 HB3 ALA A 20 16.338 25.957 20.950 1.00 0.87 H new ATOM 316 N ASP A 21 14.703 28.455 18.782 1.00 0.36 N ATOM 317 CA ASP A 21 14.629 28.666 17.311 1.00 0.25 C ATOM 318 C ASP A 21 15.330 27.515 16.580 1.00 0.28 C ATOM 319 O ASP A 21 14.742 26.948 15.683 1.00 0.34 O ATOM 320 CB ASP A 21 15.266 30.040 17.015 1.00 0.57 C ATOM 321 CG ASP A 21 16.653 30.272 17.619 1.00 1.66 C ATOM 322 OD1 ASP A 21 17.163 29.451 18.366 1.00 3.65 O ATOM 323 OD2 ASP A 21 17.113 31.338 17.266 1.00 1.15 O ATOM 0 H ASP A 21 14.951 29.284 19.322 1.00 0.36 H new ATOM 0 HA ASP A 21 13.600 28.668 16.953 1.00 0.25 H new ATOM 0 HB2 ASP A 21 15.335 30.163 15.934 1.00 0.57 H new ATOM 0 HB3 ASP A 21 14.596 30.817 17.382 1.00 0.57 H new ATOM 328 N GLU A 22 16.544 27.189 16.947 1.00 0.29 N ATOM 329 CA GLU A 22 17.250 26.064 16.266 1.00 0.33 C ATOM 330 C GLU A 22 16.362 24.801 16.270 1.00 0.34 C ATOM 331 O GLU A 22 16.160 24.199 15.226 1.00 0.26 O ATOM 332 CB GLU A 22 18.609 25.770 17.006 1.00 0.32 C ATOM 333 CG GLU A 22 19.606 26.994 16.968 1.00 0.21 C ATOM 334 CD GLU A 22 21.022 26.584 17.433 1.00 0.29 C ATOM 335 OE1 GLU A 22 21.589 25.731 16.762 1.00 2.11 O ATOM 336 OE2 GLU A 22 21.470 27.137 18.427 1.00 2.01 O ATOM 0 H GLU A 22 17.074 27.652 17.686 1.00 0.29 H new ATOM 0 HA GLU A 22 17.456 26.343 15.233 1.00 0.33 H new ATOM 0 HB2 GLU A 22 18.403 25.508 18.044 1.00 0.32 H new ATOM 0 HB3 GLU A 22 19.087 24.904 16.548 1.00 0.32 H new ATOM 0 HG2 GLU A 22 19.656 27.393 15.955 1.00 0.21 H new ATOM 0 HG3 GLU A 22 19.229 27.792 17.607 1.00 0.21 H new ATOM 343 N GLU A 23 15.830 24.435 17.415 1.00 0.65 N ATOM 344 CA GLU A 23 14.963 23.220 17.511 1.00 0.68 C ATOM 345 C GLU A 23 13.835 23.398 16.451 1.00 0.68 C ATOM 346 O GLU A 23 13.578 22.530 15.635 1.00 0.73 O ATOM 347 CB GLU A 23 14.385 23.144 18.980 1.00 0.50 C ATOM 348 CG GLU A 23 15.500 23.308 20.117 1.00 0.86 C ATOM 349 CD GLU A 23 16.392 22.096 20.421 1.00 0.94 C ATOM 350 OE1 GLU A 23 16.660 21.335 19.518 1.00 3.12 O ATOM 351 OE2 GLU A 23 16.769 22.015 21.582 1.00 1.21 O ATOM 0 H GLU A 23 15.963 24.934 18.295 1.00 0.65 H new ATOM 0 HA GLU A 23 15.501 22.293 17.316 1.00 0.68 H new ATOM 0 HB2 GLU A 23 13.632 23.922 19.106 1.00 0.50 H new ATOM 0 HB3 GLU A 23 13.880 22.187 19.114 1.00 0.50 H new ATOM 0 HG2 GLU A 23 16.147 24.139 19.835 1.00 0.86 H new ATOM 0 HG3 GLU A 23 14.998 23.595 21.041 1.00 0.86 H new ATOM 358 N MET A 24 13.208 24.553 16.501 1.00 0.62 N ATOM 359 CA MET A 24 12.089 24.893 15.549 1.00 0.63 C ATOM 360 C MET A 24 12.509 24.741 14.073 1.00 0.51 C ATOM 361 O MET A 24 11.847 24.084 13.287 1.00 0.53 O ATOM 362 CB MET A 24 11.628 26.347 15.749 1.00 0.61 C ATOM 363 CG MET A 24 10.931 26.574 17.091 1.00 0.53 C ATOM 364 SD MET A 24 10.148 28.198 17.239 1.00 0.51 S ATOM 365 CE MET A 24 9.005 28.062 15.836 1.00 0.77 C ATOM 0 H MET A 24 13.426 25.289 17.172 1.00 0.62 H new ATOM 0 HA MET A 24 11.283 24.193 15.770 1.00 0.63 H new ATOM 0 HB2 MET A 24 12.491 27.009 15.678 1.00 0.61 H new ATOM 0 HB3 MET A 24 10.948 26.621 14.942 1.00 0.61 H new ATOM 0 HG2 MET A 24 10.175 25.802 17.233 1.00 0.53 H new ATOM 0 HG3 MET A 24 11.660 26.458 17.893 1.00 0.53 H new ATOM 0 HE1 MET A 24 8.151 28.720 15.997 1.00 0.77 H new ATOM 0 HE2 MET A 24 9.518 28.352 14.919 1.00 0.77 H new ATOM 0 HE3 MET A 24 8.658 27.032 15.748 1.00 0.77 H new ATOM 375 N LEU A 25 13.616 25.373 13.770 1.00 0.39 N ATOM 376 CA LEU A 25 14.262 25.410 12.442 1.00 0.29 C ATOM 377 C LEU A 25 14.499 24.006 11.922 1.00 0.22 C ATOM 378 O LEU A 25 14.063 23.677 10.831 1.00 0.17 O ATOM 379 CB LEU A 25 15.561 26.213 12.653 1.00 0.44 C ATOM 380 CG LEU A 25 15.267 27.711 12.448 1.00 0.55 C ATOM 381 CD1 LEU A 25 16.363 28.550 13.099 1.00 0.71 C ATOM 382 CD2 LEU A 25 15.405 27.955 10.976 1.00 0.98 C ATOM 0 H LEU A 25 14.133 25.910 14.466 1.00 0.39 H new ATOM 0 HA LEU A 25 13.644 25.884 11.679 1.00 0.29 H new ATOM 0 HB2 LEU A 25 15.951 26.040 13.656 1.00 0.44 H new ATOM 0 HB3 LEU A 25 16.326 25.881 11.952 1.00 0.44 H new ATOM 0 HG LEU A 25 14.290 27.965 12.860 1.00 0.55 H new ATOM 0 HD11 LEU A 25 16.148 29.608 12.950 1.00 0.71 H new ATOM 0 HD12 LEU A 25 16.400 28.334 14.167 1.00 0.71 H new ATOM 0 HD13 LEU A 25 17.324 28.308 12.646 1.00 0.71 H new ATOM 0 HD21 LEU A 25 15.208 29.005 10.761 1.00 0.98 H new ATOM 0 HD22 LEU A 25 16.417 27.703 10.659 1.00 0.98 H new ATOM 0 HD23 LEU A 25 14.690 27.334 10.436 1.00 0.98 H new ATOM 394 N PHE A 26 15.159 23.246 12.761 1.00 0.34 N ATOM 395 CA PHE A 26 15.496 21.834 12.438 1.00 0.31 C ATOM 396 C PHE A 26 14.147 21.188 12.153 1.00 0.13 C ATOM 397 O PHE A 26 13.962 20.678 11.070 1.00 0.18 O ATOM 398 CB PHE A 26 16.186 21.185 13.646 1.00 0.40 C ATOM 399 CG PHE A 26 16.727 19.825 13.185 1.00 0.41 C ATOM 400 CD1 PHE A 26 17.979 19.723 12.609 1.00 2.57 C ATOM 401 CD2 PHE A 26 15.958 18.691 13.332 1.00 2.20 C ATOM 402 CE1 PHE A 26 18.452 18.496 12.187 1.00 2.52 C ATOM 403 CE2 PHE A 26 16.425 17.464 12.913 1.00 2.26 C ATOM 404 CZ PHE A 26 17.672 17.369 12.339 1.00 0.44 C ATOM 0 H PHE A 26 15.484 23.557 13.676 1.00 0.34 H new ATOM 0 HA PHE A 26 16.180 21.728 11.596 1.00 0.31 H new ATOM 0 HB2 PHE A 26 16.995 21.817 14.012 1.00 0.40 H new ATOM 0 HB3 PHE A 26 15.483 21.060 14.469 1.00 0.40 H new ATOM 0 HD1 PHE A 26 18.590 20.606 12.488 1.00 2.57 H new ATOM 0 HD2 PHE A 26 14.978 18.765 13.781 1.00 2.20 H new ATOM 0 HE1 PHE A 26 19.431 18.419 11.739 1.00 2.52 H new ATOM 0 HE2 PHE A 26 15.815 16.581 13.035 1.00 2.26 H new ATOM 0 HZ PHE A 26 18.041 16.410 12.007 1.00 0.44 H new ATOM 414 N ILE A 27 13.241 21.229 13.104 1.00 0.29 N ATOM 415 CA ILE A 27 11.888 20.615 12.865 1.00 0.31 C ATOM 416 C ILE A 27 11.344 21.140 11.517 1.00 0.31 C ATOM 417 O ILE A 27 11.462 20.451 10.533 1.00 0.34 O ATOM 418 CB ILE A 27 10.951 21.011 14.055 1.00 0.39 C ATOM 419 CG1 ILE A 27 11.401 20.324 15.376 1.00 0.74 C ATOM 420 CG2 ILE A 27 9.472 20.659 13.796 1.00 0.82 C ATOM 421 CD1 ILE A 27 11.471 18.775 15.250 1.00 1.34 C ATOM 0 H ILE A 27 13.374 21.653 14.022 1.00 0.29 H new ATOM 0 HA ILE A 27 11.944 19.528 12.814 1.00 0.31 H new ATOM 0 HB ILE A 27 11.035 22.094 14.147 1.00 0.39 H new ATOM 0 HG12 ILE A 27 12.380 20.706 15.665 1.00 0.74 H new ATOM 0 HG13 ILE A 27 10.707 20.589 16.174 1.00 0.74 H new ATOM 0 HG21 ILE A 27 8.871 20.957 14.655 1.00 0.82 H new ATOM 0 HG22 ILE A 27 9.122 21.186 12.908 1.00 0.82 H new ATOM 0 HG23 ILE A 27 9.376 19.584 13.641 1.00 0.82 H new ATOM 0 HD11 ILE A 27 11.790 18.347 16.200 1.00 1.34 H new ATOM 0 HD12 ILE A 27 10.487 18.386 14.989 1.00 1.34 H new ATOM 0 HD13 ILE A 27 12.185 18.505 14.472 1.00 1.34 H new ATOM 433 N TYR A 28 10.751 22.301 11.473 1.00 0.34 N ATOM 434 CA TYR A 28 10.234 22.818 10.155 1.00 0.48 C ATOM 435 C TYR A 28 11.063 22.396 8.922 1.00 0.36 C ATOM 436 O TYR A 28 10.516 21.900 7.960 1.00 0.34 O ATOM 437 CB TYR A 28 10.158 24.340 10.221 1.00 0.66 C ATOM 438 CG TYR A 28 9.720 24.987 8.864 1.00 0.41 C ATOM 439 CD1 TYR A 28 10.456 24.892 7.681 1.00 0.48 C ATOM 440 CD2 TYR A 28 8.550 25.722 8.824 1.00 0.15 C ATOM 441 CE1 TYR A 28 10.031 25.511 6.520 1.00 0.27 C ATOM 442 CE2 TYR A 28 8.126 26.341 7.656 1.00 0.25 C ATOM 443 CZ TYR A 28 8.865 26.239 6.499 1.00 0.21 C ATOM 444 OH TYR A 28 8.443 26.860 5.343 1.00 0.46 O ATOM 0 H TYR A 28 10.599 22.913 12.275 1.00 0.34 H new ATOM 0 HA TYR A 28 9.252 22.367 10.014 1.00 0.48 H new ATOM 0 HB2 TYR A 28 9.453 24.630 11.000 1.00 0.66 H new ATOM 0 HB3 TYR A 28 11.132 24.735 10.509 1.00 0.66 H new ATOM 0 HD1 TYR A 28 11.375 24.324 7.673 1.00 0.48 H new ATOM 0 HD2 TYR A 28 7.954 25.817 9.719 1.00 0.15 H new ATOM 0 HE1 TYR A 28 10.621 25.422 5.620 1.00 0.27 H new ATOM 0 HE2 TYR A 28 7.207 26.908 7.655 1.00 0.25 H new ATOM 0 HH TYR A 28 7.599 27.328 5.513 1.00 0.46 H new ATOM 454 N SER A 29 12.364 22.572 8.927 1.00 0.29 N ATOM 455 CA SER A 29 13.200 22.187 7.745 1.00 0.30 C ATOM 456 C SER A 29 13.044 20.706 7.450 1.00 0.24 C ATOM 457 O SER A 29 12.605 20.309 6.386 1.00 0.34 O ATOM 458 CB SER A 29 14.674 22.549 8.081 1.00 0.31 C ATOM 459 OG SER A 29 14.999 21.746 9.213 1.00 0.26 O ATOM 0 H SER A 29 12.887 22.970 9.707 1.00 0.29 H new ATOM 0 HA SER A 29 12.883 22.723 6.850 1.00 0.30 H new ATOM 0 HB2 SER A 29 15.335 22.334 7.241 1.00 0.31 H new ATOM 0 HB3 SER A 29 14.779 23.610 8.306 1.00 0.31 H new ATOM 0 HG SER A 29 14.439 22.010 9.973 1.00 0.26 H new ATOM 465 N HIS A 30 13.391 19.914 8.415 1.00 0.12 N ATOM 466 CA HIS A 30 13.289 18.448 8.253 1.00 0.10 C ATOM 467 C HIS A 30 11.845 18.045 7.960 1.00 0.11 C ATOM 468 O HIS A 30 11.632 17.105 7.234 1.00 0.12 O ATOM 469 CB HIS A 30 13.833 17.832 9.545 1.00 0.11 C ATOM 470 CG HIS A 30 15.336 18.051 9.531 1.00 0.18 C ATOM 471 ND1 HIS A 30 15.932 19.197 9.581 1.00 0.26 N ATOM 472 CD2 HIS A 30 16.349 17.121 9.448 1.00 0.21 C ATOM 473 CE1 HIS A 30 17.215 19.008 9.530 1.00 0.33 C ATOM 474 NE2 HIS A 30 17.516 17.732 9.446 1.00 0.30 N ATOM 0 H HIS A 30 13.745 20.224 9.320 1.00 0.12 H new ATOM 0 HA HIS A 30 13.869 18.085 7.405 1.00 0.10 H new ATOM 0 HB2 HIS A 30 13.381 18.302 10.419 1.00 0.11 H new ATOM 0 HB3 HIS A 30 13.597 16.769 9.597 1.00 0.11 H new ATOM 0 HD1 HIS A 30 15.469 20.103 9.649 1.00 0.26 H new ATOM 0 HD2 HIS A 30 16.208 16.052 9.393 1.00 0.21 H new ATOM 0 HE1 HIS A 30 17.946 19.803 9.554 1.00 0.33 H new ATOM 482 N TYR A 31 10.884 18.743 8.495 1.00 0.18 N ATOM 483 CA TYR A 31 9.447 18.406 8.245 1.00 0.24 C ATOM 484 C TYR A 31 9.145 18.713 6.770 1.00 0.26 C ATOM 485 O TYR A 31 8.534 17.925 6.068 1.00 0.26 O ATOM 486 CB TYR A 31 8.570 19.273 9.163 1.00 0.22 C ATOM 487 CG TYR A 31 7.078 18.928 9.003 1.00 0.23 C ATOM 488 CD1 TYR A 31 6.513 17.814 9.615 1.00 0.39 C ATOM 489 CD2 TYR A 31 6.277 19.738 8.222 1.00 0.10 C ATOM 490 CE1 TYR A 31 5.170 17.524 9.439 1.00 0.40 C ATOM 491 CE2 TYR A 31 4.939 19.438 8.053 1.00 0.14 C ATOM 492 CZ TYR A 31 4.382 18.338 8.655 1.00 0.27 C ATOM 493 OH TYR A 31 3.045 18.080 8.446 1.00 0.28 O ATOM 0 H TYR A 31 11.032 19.547 9.106 1.00 0.18 H new ATOM 0 HA TYR A 31 9.242 17.356 8.453 1.00 0.24 H new ATOM 0 HB2 TYR A 31 8.870 19.126 10.201 1.00 0.22 H new ATOM 0 HB3 TYR A 31 8.728 20.326 8.932 1.00 0.22 H new ATOM 0 HD1 TYR A 31 7.125 17.172 10.231 1.00 0.39 H new ATOM 0 HD2 TYR A 31 6.698 20.609 7.742 1.00 0.10 H new ATOM 0 HE1 TYR A 31 4.739 16.657 9.918 1.00 0.40 H new ATOM 0 HE2 TYR A 31 4.323 20.078 7.439 1.00 0.14 H new ATOM 0 HH TYR A 31 2.665 18.772 7.865 1.00 0.28 H new ATOM 503 N LYS A 32 9.584 19.863 6.337 1.00 0.31 N ATOM 504 CA LYS A 32 9.320 20.219 4.911 1.00 0.38 C ATOM 505 C LYS A 32 9.990 19.231 3.972 1.00 0.48 C ATOM 506 O LYS A 32 9.343 18.797 3.041 1.00 0.67 O ATOM 507 CB LYS A 32 9.835 21.613 4.592 1.00 0.40 C ATOM 508 CG LYS A 32 9.028 22.714 5.263 1.00 0.26 C ATOM 509 CD LYS A 32 7.529 22.515 4.886 1.00 0.41 C ATOM 510 CE LYS A 32 6.765 23.797 5.072 1.00 0.35 C ATOM 511 NZ LYS A 32 7.336 24.720 4.051 1.00 2.40 N ATOM 0 H LYS A 32 10.097 20.552 6.886 1.00 0.31 H new ATOM 0 HA LYS A 32 8.240 20.187 4.768 1.00 0.38 H new ATOM 0 HB2 LYS A 32 10.876 21.690 4.906 1.00 0.40 H new ATOM 0 HB3 LYS A 32 9.816 21.763 3.513 1.00 0.40 H new ATOM 0 HG2 LYS A 32 9.157 22.675 6.345 1.00 0.26 H new ATOM 0 HG3 LYS A 32 9.376 23.694 4.936 1.00 0.26 H new ATOM 0 HD2 LYS A 32 7.449 22.184 3.851 1.00 0.41 H new ATOM 0 HD3 LYS A 32 7.093 21.732 5.506 1.00 0.41 H new ATOM 0 HE2 LYS A 32 5.696 23.648 4.920 1.00 0.35 H new ATOM 0 HE3 LYS A 32 6.891 24.192 6.080 1.00 0.35 H new ATOM 0 HZ1 LYS A 32 7.773 25.536 4.526 1.00 2.40 H new ATOM 0 HZ2 LYS A 32 8.056 24.218 3.493 1.00 2.40 H new ATOM 0 HZ3 LYS A 32 6.578 25.052 3.420 1.00 2.40 H new ATOM 525 N GLN A 33 11.234 18.906 4.209 1.00 0.41 N ATOM 526 CA GLN A 33 11.891 17.919 3.288 1.00 0.39 C ATOM 527 C GLN A 33 11.263 16.516 3.560 1.00 0.27 C ATOM 528 O GLN A 33 11.067 15.737 2.654 1.00 0.28 O ATOM 529 CB GLN A 33 13.399 17.943 3.574 1.00 0.48 C ATOM 530 CG GLN A 33 14.192 17.502 2.293 1.00 0.42 C ATOM 531 CD GLN A 33 13.963 18.463 1.116 1.00 2.03 C ATOM 532 OE1 GLN A 33 13.800 19.648 1.302 1.00 4.34 O ATOM 533 NE2 GLN A 33 13.955 18.005 -0.099 1.00 1.42 N ATOM 0 H GLN A 33 11.810 19.264 4.971 1.00 0.41 H new ATOM 0 HA GLN A 33 11.737 18.163 2.237 1.00 0.39 H new ATOM 0 HB2 GLN A 33 13.705 18.945 3.875 1.00 0.48 H new ATOM 0 HB3 GLN A 33 13.631 17.276 4.404 1.00 0.48 H new ATOM 0 HG2 GLN A 33 15.257 17.457 2.523 1.00 0.42 H new ATOM 0 HG3 GLN A 33 13.886 16.496 2.005 1.00 0.42 H new ATOM 0 HE21 GLN A 33 14.091 17.009 -0.269 1.00 1.42 H new ATOM 0 HE22 GLN A 33 13.813 18.642 -0.883 1.00 1.42 H new ATOM 542 N ALA A 34 10.962 16.199 4.793 1.00 0.16 N ATOM 543 CA ALA A 34 10.345 14.874 5.133 1.00 0.10 C ATOM 544 C ALA A 34 8.916 14.707 4.539 1.00 0.02 C ATOM 545 O ALA A 34 8.471 13.590 4.339 1.00 0.43 O ATOM 546 CB ALA A 34 10.297 14.762 6.655 1.00 0.13 C ATOM 0 H ALA A 34 11.119 16.810 5.594 1.00 0.16 H new ATOM 0 HA ALA A 34 10.952 14.082 4.695 1.00 0.10 H new ATOM 0 HB1 ALA A 34 9.852 13.807 6.936 1.00 0.13 H new ATOM 0 HB2 ALA A 34 11.309 14.823 7.056 1.00 0.13 H new ATOM 0 HB3 ALA A 34 9.696 15.575 7.061 1.00 0.13 H new ATOM 552 N THR A 35 8.231 15.799 4.290 1.00 0.34 N ATOM 553 CA THR A 35 6.830 15.683 3.704 1.00 0.30 C ATOM 554 C THR A 35 6.557 16.326 2.350 1.00 0.38 C ATOM 555 O THR A 35 5.924 15.721 1.510 1.00 0.66 O ATOM 556 CB THR A 35 5.779 16.270 4.667 1.00 0.32 C ATOM 557 OG1 THR A 35 6.100 17.642 4.738 1.00 0.44 O ATOM 558 CG2 THR A 35 6.000 15.823 6.087 1.00 0.34 C ATOM 0 H THR A 35 8.560 16.750 4.458 1.00 0.34 H new ATOM 0 HA THR A 35 6.758 14.606 3.556 1.00 0.30 H new ATOM 0 HB THR A 35 4.784 15.992 4.319 1.00 0.32 H new ATOM 0 HG1 THR A 35 6.954 17.754 5.205 1.00 0.44 H new ATOM 0 HG21 THR A 35 5.236 16.261 6.729 1.00 0.34 H new ATOM 0 HG22 THR A 35 5.939 14.736 6.140 1.00 0.34 H new ATOM 0 HG23 THR A 35 6.985 16.148 6.422 1.00 0.34 H new ATOM 566 N VAL A 36 7.044 17.518 2.172 1.00 0.38 N ATOM 567 CA VAL A 36 6.845 18.285 0.883 1.00 0.46 C ATOM 568 C VAL A 36 7.951 18.058 -0.175 1.00 0.57 C ATOM 569 O VAL A 36 7.676 17.750 -1.320 1.00 0.64 O ATOM 570 CB VAL A 36 6.785 19.818 1.192 1.00 0.58 C ATOM 571 CG1 VAL A 36 6.298 20.593 -0.055 1.00 1.06 C ATOM 572 CG2 VAL A 36 5.846 20.164 2.354 1.00 0.12 C ATOM 0 H VAL A 36 7.588 18.018 2.876 1.00 0.38 H new ATOM 0 HA VAL A 36 5.913 17.909 0.461 1.00 0.46 H new ATOM 0 HB VAL A 36 7.798 20.106 1.472 1.00 0.58 H new ATOM 0 HG11 VAL A 36 6.260 21.659 0.171 1.00 1.06 H new ATOM 0 HG12 VAL A 36 6.987 20.422 -0.882 1.00 1.06 H new ATOM 0 HG13 VAL A 36 5.303 20.245 -0.334 1.00 1.06 H new ATOM 0 HG21 VAL A 36 5.850 21.242 2.517 1.00 0.12 H new ATOM 0 HG22 VAL A 36 4.834 19.837 2.114 1.00 0.12 H new ATOM 0 HG23 VAL A 36 6.185 19.659 3.259 1.00 0.12 H new ATOM 582 N GLY A 37 9.170 18.221 0.269 1.00 0.74 N ATOM 583 CA GLY A 37 10.387 18.054 -0.620 1.00 0.95 C ATOM 584 C GLY A 37 11.333 19.270 -0.623 1.00 0.94 C ATOM 585 O GLY A 37 11.401 20.018 0.340 1.00 0.80 O ATOM 0 H GLY A 37 9.390 18.469 1.233 1.00 0.74 H new ATOM 0 HA2 GLY A 37 10.943 17.175 -0.295 1.00 0.95 H new ATOM 0 HA3 GLY A 37 10.055 17.862 -1.640 1.00 0.95 H new ATOM 589 N ASP A 38 12.063 19.405 -1.708 1.00 1.13 N ATOM 590 CA ASP A 38 13.033 20.505 -1.922 1.00 1.20 C ATOM 591 C ASP A 38 12.409 21.923 -1.785 1.00 1.12 C ATOM 592 O ASP A 38 11.405 22.242 -2.404 1.00 1.35 O ATOM 593 CB ASP A 38 13.635 20.334 -3.362 1.00 1.59 C ATOM 594 CG ASP A 38 13.787 18.917 -3.940 1.00 1.99 C ATOM 595 OD1 ASP A 38 13.716 17.976 -3.169 1.00 2.03 O ATOM 596 OD2 ASP A 38 13.972 18.882 -5.149 1.00 3.64 O ATOM 0 H ASP A 38 12.013 18.753 -2.491 1.00 1.13 H new ATOM 0 HA ASP A 38 13.795 20.436 -1.146 1.00 1.20 H new ATOM 0 HB2 ASP A 38 13.012 20.905 -4.050 1.00 1.59 H new ATOM 0 HB3 ASP A 38 14.621 20.799 -3.364 1.00 1.59 H new ATOM 601 N ILE A 39 12.998 22.743 -0.959 1.00 0.92 N ATOM 602 CA ILE A 39 12.464 24.137 -0.800 1.00 0.88 C ATOM 603 C ILE A 39 12.306 24.760 -2.213 1.00 1.16 C ATOM 604 O ILE A 39 13.256 24.999 -2.936 1.00 1.65 O ATOM 605 CB ILE A 39 13.444 24.877 0.101 1.00 0.92 C ATOM 606 CG1 ILE A 39 12.690 26.134 0.562 1.00 0.89 C ATOM 607 CG2 ILE A 39 14.754 25.175 -0.614 1.00 1.20 C ATOM 608 CD1 ILE A 39 13.501 26.827 1.647 1.00 1.09 C ATOM 0 H ILE A 39 13.815 22.518 -0.392 1.00 0.92 H new ATOM 0 HA ILE A 39 11.480 24.182 -0.334 1.00 0.88 H new ATOM 0 HB ILE A 39 13.752 24.281 0.960 1.00 0.92 H new ATOM 0 HG12 ILE A 39 12.533 26.809 -0.280 1.00 0.89 H new ATOM 0 HG13 ILE A 39 11.705 25.864 0.943 1.00 0.89 H new ATOM 0 HG21 ILE A 39 15.426 25.703 0.062 1.00 1.20 H new ATOM 0 HG22 ILE A 39 15.218 24.240 -0.929 1.00 1.20 H new ATOM 0 HG23 ILE A 39 14.558 25.795 -1.489 1.00 1.20 H new ATOM 0 HD11 ILE A 39 12.974 27.721 1.981 1.00 1.09 H new ATOM 0 HD12 ILE A 39 13.635 26.149 2.490 1.00 1.09 H new ATOM 0 HD13 ILE A 39 14.476 27.108 1.249 1.00 1.09 H new ATOM 805 N LYS A 52 13.884 34.143 6.655 1.00 0.80 N ATOM 806 CA LYS A 52 15.135 33.714 5.888 1.00 0.64 C ATOM 807 C LYS A 52 15.926 32.557 6.576 1.00 0.38 C ATOM 808 O LYS A 52 16.266 31.586 5.925 1.00 0.38 O ATOM 809 CB LYS A 52 16.151 34.892 5.696 1.00 0.58 C ATOM 810 CG LYS A 52 17.435 34.372 4.989 1.00 1.74 C ATOM 811 CD LYS A 52 18.654 35.264 5.341 1.00 1.11 C ATOM 812 CE LYS A 52 19.920 34.625 4.740 1.00 0.67 C ATOM 813 NZ LYS A 52 20.084 33.244 5.301 1.00 0.38 N ATOM 0 HA LYS A 52 14.742 33.374 4.930 1.00 0.64 H new ATOM 0 HB2 LYS A 52 15.695 35.685 5.103 1.00 0.58 H new ATOM 0 HB3 LYS A 52 16.407 35.324 6.663 1.00 0.58 H new ATOM 0 HG2 LYS A 52 17.631 33.343 5.291 1.00 1.74 H new ATOM 0 HG3 LYS A 52 17.284 34.364 3.910 1.00 1.74 H new ATOM 0 HD2 LYS A 52 18.514 36.270 4.945 1.00 1.11 H new ATOM 0 HD3 LYS A 52 18.754 35.358 6.422 1.00 1.11 H new ATOM 0 HE2 LYS A 52 19.841 34.583 3.654 1.00 0.67 H new ATOM 0 HE3 LYS A 52 20.795 35.232 4.973 1.00 0.67 H new ATOM 0 HZ1 LYS A 52 21.081 32.957 5.230 1.00 0.38 H new ATOM 0 HZ2 LYS A 52 19.792 33.238 6.299 1.00 0.38 H new ATOM 0 HZ3 LYS A 52 19.493 32.578 4.763 1.00 0.38 H new ATOM 827 N ALA A 53 16.165 32.672 7.864 1.00 0.56 N ATOM 828 CA ALA A 53 16.933 31.590 8.567 1.00 0.81 C ATOM 829 C ALA A 53 16.245 30.266 8.234 1.00 0.83 C ATOM 830 O ALA A 53 16.847 29.311 7.812 1.00 0.83 O ATOM 831 CB ALA A 53 16.896 31.860 10.060 1.00 1.12 C ATOM 0 H ALA A 53 15.868 33.453 8.450 1.00 0.56 H new ATOM 0 HA ALA A 53 17.976 31.556 8.252 1.00 0.81 H new ATOM 0 HB1 ALA A 53 17.450 31.082 10.584 1.00 1.12 H new ATOM 0 HB2 ALA A 53 17.349 32.830 10.266 1.00 1.12 H new ATOM 0 HB3 ALA A 53 15.862 31.863 10.404 1.00 1.12 H new ATOM 837 N LYS A 54 14.967 30.283 8.444 1.00 0.86 N ATOM 838 CA LYS A 54 14.070 29.133 8.192 1.00 0.94 C ATOM 839 C LYS A 54 14.065 28.660 6.705 1.00 0.56 C ATOM 840 O LYS A 54 14.107 27.460 6.438 1.00 0.34 O ATOM 841 CB LYS A 54 12.745 29.701 8.810 1.00 1.31 C ATOM 842 CG LYS A 54 11.439 29.047 8.422 1.00 1.35 C ATOM 843 CD LYS A 54 11.564 27.555 8.360 1.00 3.09 C ATOM 844 CE LYS A 54 12.220 26.959 9.592 1.00 5.90 C ATOM 845 NZ LYS A 54 12.938 25.727 9.128 1.00 7.41 N ATOM 0 H LYS A 54 14.479 31.103 8.804 1.00 0.86 H new ATOM 0 HA LYS A 54 14.347 28.177 8.636 1.00 0.94 H new ATOM 0 HB2 LYS A 54 12.834 29.649 9.895 1.00 1.31 H new ATOM 0 HB3 LYS A 54 12.680 30.757 8.546 1.00 1.31 H new ATOM 0 HG2 LYS A 54 10.668 29.318 9.143 1.00 1.35 H new ATOM 0 HG3 LYS A 54 11.116 29.426 7.452 1.00 1.35 H new ATOM 0 HD2 LYS A 54 10.573 27.119 8.237 1.00 3.09 H new ATOM 0 HD3 LYS A 54 12.144 27.282 7.479 1.00 3.09 H new ATOM 0 HE2 LYS A 54 12.914 27.667 10.045 1.00 5.90 H new ATOM 0 HE3 LYS A 54 11.476 26.714 10.350 1.00 5.90 H new ATOM 0 HZ1 LYS A 54 13.423 25.284 9.934 1.00 7.41 H new ATOM 0 HZ2 LYS A 54 12.252 25.057 8.725 1.00 7.41 H new ATOM 0 HZ3 LYS A 54 13.637 25.985 8.402 1.00 7.41 H new ATOM 859 N TRP A 55 14.019 29.595 5.784 1.00 0.54 N ATOM 860 CA TRP A 55 14.016 29.249 4.338 1.00 0.43 C ATOM 861 C TRP A 55 15.320 28.513 4.099 1.00 0.28 C ATOM 862 O TRP A 55 15.360 27.354 3.737 1.00 0.32 O ATOM 863 CB TRP A 55 13.964 30.540 3.490 1.00 0.48 C ATOM 864 CG TRP A 55 13.779 30.130 2.020 1.00 0.56 C ATOM 865 CD1 TRP A 55 12.569 30.012 1.387 1.00 0.71 C ATOM 866 CD2 TRP A 55 14.771 29.788 1.158 1.00 0.54 C ATOM 867 NE1 TRP A 55 12.910 29.595 0.184 1.00 0.77 N ATOM 868 CE2 TRP A 55 14.184 29.439 -0.046 1.00 0.70 C ATOM 869 CE3 TRP A 55 16.160 29.717 1.252 1.00 0.42 C ATOM 870 CZ2 TRP A 55 14.910 29.032 -1.141 1.00 0.78 C ATOM 871 CZ3 TRP A 55 16.920 29.305 0.161 1.00 0.51 C ATOM 872 CH2 TRP A 55 16.298 28.962 -1.035 1.00 0.69 C ATOM 0 H TRP A 55 13.983 30.595 5.983 1.00 0.54 H new ATOM 0 HA TRP A 55 13.154 28.642 4.061 1.00 0.43 H new ATOM 0 HB2 TRP A 55 13.142 31.178 3.815 1.00 0.48 H new ATOM 0 HB3 TRP A 55 14.882 31.115 3.613 1.00 0.48 H new ATOM 0 HD1 TRP A 55 11.582 30.211 1.777 1.00 0.71 H new ATOM 0 HE1 TRP A 55 12.210 29.403 -0.533 1.00 0.77 H new ATOM 0 HE3 TRP A 55 16.650 29.983 2.177 1.00 0.42 H new ATOM 0 HZ2 TRP A 55 14.414 28.772 -2.065 1.00 0.78 H new ATOM 0 HZ3 TRP A 55 17.996 29.252 0.243 1.00 0.51 H new ATOM 0 HH2 TRP A 55 16.890 28.642 -1.880 1.00 0.69 H new ATOM 883 N ASP A 56 16.366 29.233 4.349 1.00 0.17 N ATOM 884 CA ASP A 56 17.714 28.639 4.161 1.00 0.19 C ATOM 885 C ASP A 56 17.794 27.301 4.938 1.00 0.20 C ATOM 886 O ASP A 56 18.282 26.332 4.412 1.00 0.26 O ATOM 887 CB ASP A 56 18.716 29.655 4.661 1.00 0.29 C ATOM 888 CG ASP A 56 18.967 30.656 3.569 1.00 0.53 C ATOM 889 OD1 ASP A 56 19.566 30.292 2.580 1.00 1.58 O ATOM 890 OD2 ASP A 56 18.562 31.787 3.722 1.00 0.80 O ATOM 0 H ASP A 56 16.351 30.200 4.673 1.00 0.17 H new ATOM 0 HA ASP A 56 17.925 28.412 3.116 1.00 0.19 H new ATOM 0 HB2 ASP A 56 18.336 30.154 5.552 1.00 0.29 H new ATOM 0 HB3 ASP A 56 19.646 29.162 4.944 1.00 0.29 H new ATOM 895 N ALA A 57 17.299 27.278 6.147 1.00 0.16 N ATOM 896 CA ALA A 57 17.308 26.058 7.011 1.00 0.16 C ATOM 897 C ALA A 57 16.682 24.857 6.289 1.00 0.14 C ATOM 898 O ALA A 57 17.129 23.743 6.454 1.00 0.15 O ATOM 899 CB ALA A 57 16.526 26.354 8.292 1.00 0.12 C ATOM 0 H ALA A 57 16.870 28.091 6.590 1.00 0.16 H new ATOM 0 HA ALA A 57 18.342 25.804 7.247 1.00 0.16 H new ATOM 0 HB1 ALA A 57 16.526 25.471 8.930 1.00 0.12 H new ATOM 0 HB2 ALA A 57 16.995 27.184 8.821 1.00 0.12 H new ATOM 0 HB3 ALA A 57 15.499 26.619 8.039 1.00 0.12 H new ATOM 905 N TRP A 58 15.649 25.094 5.522 1.00 0.14 N ATOM 906 CA TRP A 58 15.032 23.943 4.795 1.00 0.18 C ATOM 907 C TRP A 58 15.874 23.775 3.521 1.00 0.27 C ATOM 908 O TRP A 58 16.204 22.664 3.169 1.00 0.40 O ATOM 909 CB TRP A 58 13.608 24.309 4.527 1.00 0.28 C ATOM 910 CG TRP A 58 12.928 23.309 3.573 1.00 0.37 C ATOM 911 CD1 TRP A 58 13.341 22.043 3.213 1.00 0.43 C ATOM 912 CD2 TRP A 58 11.781 23.600 2.934 1.00 0.44 C ATOM 913 NE1 TRP A 58 12.382 21.684 2.366 1.00 0.52 N ATOM 914 CE2 TRP A 58 11.402 22.540 2.133 1.00 0.52 C ATOM 915 CE3 TRP A 58 10.993 24.749 3.001 1.00 0.45 C ATOM 916 CZ2 TRP A 58 10.227 22.621 1.391 1.00 0.59 C ATOM 917 CZ3 TRP A 58 9.816 24.835 2.263 1.00 0.52 C ATOM 918 CH2 TRP A 58 9.435 23.766 1.456 1.00 0.59 C ATOM 0 H TRP A 58 15.216 26.005 5.369 1.00 0.14 H new ATOM 0 HA TRP A 58 15.024 22.999 5.339 1.00 0.18 H new ATOM 0 HB2 TRP A 58 13.059 24.344 5.468 1.00 0.28 H new ATOM 0 HB3 TRP A 58 13.565 25.309 4.096 1.00 0.28 H new ATOM 0 HD1 TRP A 58 14.212 21.491 3.534 1.00 0.43 H new ATOM 0 HE1 TRP A 58 12.402 20.773 1.908 1.00 0.52 H new ATOM 0 HE3 TRP A 58 11.297 25.575 3.627 1.00 0.45 H new ATOM 0 HZ2 TRP A 58 9.928 21.794 0.763 1.00 0.59 H new ATOM 0 HZ3 TRP A 58 9.204 25.723 2.316 1.00 0.52 H new ATOM 0 HH2 TRP A 58 8.524 23.824 0.879 1.00 0.59 H new ATOM 929 N ASN A 59 16.217 24.849 2.864 1.00 0.26 N ATOM 930 CA ASN A 59 17.051 24.792 1.620 1.00 0.33 C ATOM 931 C ASN A 59 18.310 23.917 1.857 1.00 0.34 C ATOM 932 O ASN A 59 18.671 23.106 1.040 1.00 0.39 O ATOM 933 CB ASN A 59 17.426 26.234 1.279 1.00 0.35 C ATOM 934 CG ASN A 59 18.507 26.244 0.237 1.00 0.73 C ATOM 935 OD1 ASN A 59 18.365 25.688 -0.840 1.00 0.99 O ATOM 936 ND2 ASN A 59 19.593 26.869 0.560 1.00 0.99 N ATOM 0 H ASN A 59 15.948 25.792 3.143 1.00 0.26 H new ATOM 0 HA ASN A 59 16.506 24.337 0.793 1.00 0.33 H new ATOM 0 HB2 ASN A 59 16.551 26.771 0.913 1.00 0.35 H new ATOM 0 HB3 ASN A 59 17.767 26.753 2.175 1.00 0.35 H new ATOM 0 HD21 ASN A 59 20.372 26.910 -0.097 1.00 0.99 H new ATOM 0 HD22 ASN A 59 19.670 27.320 1.471 1.00 0.99 H new ATOM 943 N GLU A 60 18.935 24.139 2.967 1.00 0.30 N ATOM 944 CA GLU A 60 20.150 23.406 3.404 1.00 0.36 C ATOM 945 C GLU A 60 19.890 21.868 3.246 1.00 0.39 C ATOM 946 O GLU A 60 20.784 21.071 3.051 1.00 0.39 O ATOM 947 CB GLU A 60 20.380 23.843 4.863 1.00 0.36 C ATOM 948 CG GLU A 60 21.826 23.553 5.320 1.00 0.88 C ATOM 949 CD GLU A 60 22.820 24.491 4.614 1.00 3.06 C ATOM 950 OE1 GLU A 60 22.858 25.637 5.033 1.00 4.30 O ATOM 951 OE2 GLU A 60 23.481 24.013 3.707 1.00 3.82 O ATOM 0 H GLU A 60 18.632 24.848 3.635 1.00 0.30 H new ATOM 0 HA GLU A 60 21.041 23.623 2.815 1.00 0.36 H new ATOM 0 HB2 GLU A 60 20.173 24.909 4.962 1.00 0.36 H new ATOM 0 HB3 GLU A 60 19.680 23.321 5.515 1.00 0.36 H new ATOM 0 HG2 GLU A 60 21.903 23.680 6.400 1.00 0.88 H new ATOM 0 HG3 GLU A 60 22.080 22.516 5.102 1.00 0.88 H new ATOM 958 N LEU A 61 18.631 21.511 3.340 1.00 0.42 N ATOM 959 CA LEU A 61 18.131 20.101 3.227 1.00 0.47 C ATOM 960 C LEU A 61 17.579 19.796 1.830 1.00 0.51 C ATOM 961 O LEU A 61 17.340 18.657 1.484 1.00 0.60 O ATOM 962 CB LEU A 61 16.977 19.836 4.224 1.00 0.50 C ATOM 963 CG LEU A 61 17.246 20.391 5.621 1.00 0.53 C ATOM 964 CD1 LEU A 61 16.025 19.974 6.459 1.00 0.46 C ATOM 965 CD2 LEU A 61 18.493 19.743 6.220 1.00 0.56 C ATOM 0 H LEU A 61 17.883 22.186 3.501 1.00 0.42 H new ATOM 0 HA LEU A 61 18.991 19.467 3.441 1.00 0.47 H new ATOM 0 HB2 LEU A 61 16.061 20.280 3.835 1.00 0.50 H new ATOM 0 HB3 LEU A 61 16.806 18.762 4.294 1.00 0.50 H new ATOM 0 HG LEU A 61 17.402 21.469 5.599 1.00 0.53 H new ATOM 0 HD11 LEU A 61 16.143 20.337 7.480 1.00 0.46 H new ATOM 0 HD12 LEU A 61 15.122 20.402 6.024 1.00 0.46 H new ATOM 0 HD13 LEU A 61 15.944 18.887 6.468 1.00 0.46 H new ATOM 0 HD21 LEU A 61 18.671 20.149 7.216 1.00 0.56 H new ATOM 0 HD22 LEU A 61 18.346 18.665 6.289 1.00 0.56 H new ATOM 0 HD23 LEU A 61 19.353 19.952 5.584 1.00 0.56 H new ATOM 977 N LYS A 62 17.393 20.796 1.020 1.00 0.47 N ATOM 978 CA LYS A 62 16.845 20.674 -0.364 1.00 0.51 C ATOM 979 C LYS A 62 16.749 19.383 -1.139 1.00 0.68 C ATOM 980 O LYS A 62 15.715 19.175 -1.725 1.00 0.79 O ATOM 981 CB LYS A 62 17.613 21.787 -1.167 1.00 0.30 C ATOM 982 CG LYS A 62 17.673 21.541 -2.685 1.00 0.75 C ATOM 983 CD LYS A 62 18.394 22.735 -3.426 1.00 2.37 C ATOM 984 CE LYS A 62 17.384 23.826 -3.818 1.00 3.75 C ATOM 985 NZ LYS A 62 16.993 24.625 -2.616 1.00 4.13 N ATOM 0 H LYS A 62 17.613 21.758 1.278 1.00 0.47 H new ATOM 0 HA LYS A 62 15.767 20.764 -0.231 1.00 0.51 H new ATOM 0 HB2 LYS A 62 17.132 22.748 -0.985 1.00 0.30 H new ATOM 0 HB3 LYS A 62 18.630 21.861 -0.782 1.00 0.30 H new ATOM 0 HG2 LYS A 62 18.205 20.611 -2.885 1.00 0.75 H new ATOM 0 HG3 LYS A 62 16.663 21.422 -3.078 1.00 0.75 H new ATOM 0 HD2 LYS A 62 19.162 23.160 -2.779 1.00 2.37 H new ATOM 0 HD3 LYS A 62 18.899 22.363 -4.318 1.00 2.37 H new ATOM 0 HE2 LYS A 62 17.820 24.481 -4.573 1.00 3.75 H new ATOM 0 HE3 LYS A 62 16.500 23.370 -4.264 1.00 3.75 H new ATOM 0 HZ1 LYS A 62 16.567 25.524 -2.920 1.00 4.13 H new ATOM 0 HZ2 LYS A 62 16.303 24.089 -2.052 1.00 4.13 H new ATOM 0 HZ3 LYS A 62 17.836 24.819 -2.039 1.00 4.13 H new ATOM 999 N GLY A 63 17.749 18.575 -1.162 1.00 0.72 N ATOM 1000 CA GLY A 63 17.705 17.262 -1.922 1.00 0.79 C ATOM 1001 C GLY A 63 17.865 16.013 -1.017 1.00 0.58 C ATOM 1002 O GLY A 63 18.108 14.918 -1.485 1.00 0.65 O ATOM 0 H GLY A 63 18.631 18.751 -0.681 1.00 0.72 H new ATOM 0 HA2 GLY A 63 16.758 17.193 -2.457 1.00 0.79 H new ATOM 0 HA3 GLY A 63 18.496 17.260 -2.672 1.00 0.79 H new ATOM 1006 N THR A 64 17.752 16.246 0.261 1.00 0.32 N ATOM 1007 CA THR A 64 17.859 15.150 1.284 1.00 0.23 C ATOM 1008 C THR A 64 16.862 14.029 0.943 1.00 0.23 C ATOM 1009 O THR A 64 16.042 14.134 0.046 1.00 0.26 O ATOM 1010 CB THR A 64 17.566 15.762 2.696 1.00 0.34 C ATOM 1011 OG1 THR A 64 18.841 15.852 3.304 1.00 0.43 O ATOM 1012 CG2 THR A 64 16.866 14.856 3.700 1.00 0.65 C ATOM 0 H THR A 64 17.586 17.172 0.656 1.00 0.32 H new ATOM 0 HA THR A 64 18.860 14.718 1.285 1.00 0.23 H new ATOM 0 HB THR A 64 16.961 16.650 2.515 1.00 0.34 H new ATOM 0 HG1 THR A 64 18.749 16.232 4.203 1.00 0.43 H new ATOM 0 HG21 THR A 64 16.720 15.395 4.636 1.00 0.65 H new ATOM 0 HG22 THR A 64 15.898 14.552 3.302 1.00 0.65 H new ATOM 0 HG23 THR A 64 17.478 13.972 3.881 1.00 0.65 H new ATOM 1020 N SER A 65 16.955 12.972 1.697 1.00 0.36 N ATOM 1021 CA SER A 65 16.075 11.785 1.527 1.00 0.49 C ATOM 1022 C SER A 65 14.935 11.946 2.551 1.00 0.39 C ATOM 1023 O SER A 65 15.136 12.158 3.741 1.00 0.61 O ATOM 1024 CB SER A 65 16.894 10.529 1.821 1.00 0.64 C ATOM 1025 OG SER A 65 17.521 10.863 3.056 1.00 2.87 O ATOM 0 H SER A 65 17.632 12.880 2.454 1.00 0.36 H new ATOM 0 HA SER A 65 15.672 11.701 0.518 1.00 0.49 H new ATOM 0 HB2 SER A 65 16.264 9.644 1.910 1.00 0.64 H new ATOM 0 HB3 SER A 65 17.622 10.325 1.036 1.00 0.64 H new ATOM 0 HG SER A 65 17.574 10.065 3.622 1.00 2.87 H new ATOM 1031 N LYS A 66 13.735 11.835 2.037 1.00 0.48 N ATOM 1032 CA LYS A 66 12.497 11.967 2.873 1.00 0.56 C ATOM 1033 C LYS A 66 12.661 11.264 4.231 1.00 0.39 C ATOM 1034 O LYS A 66 12.527 11.830 5.295 1.00 0.22 O ATOM 1035 CB LYS A 66 11.331 11.362 2.010 1.00 0.97 C ATOM 1036 CG LYS A 66 9.946 11.628 2.652 1.00 1.59 C ATOM 1037 CD LYS A 66 8.782 11.430 1.622 1.00 1.06 C ATOM 1038 CE LYS A 66 8.671 9.982 1.105 1.00 1.81 C ATOM 1039 NZ LYS A 66 7.547 9.953 0.107 1.00 2.56 N ATOM 0 H LYS A 66 13.556 11.654 1.049 1.00 0.48 H new ATOM 0 HA LYS A 66 12.284 13.006 3.123 1.00 0.56 H new ATOM 0 HB2 LYS A 66 11.357 11.793 1.009 1.00 0.97 H new ATOM 0 HB3 LYS A 66 11.480 10.288 1.898 1.00 0.97 H new ATOM 0 HG2 LYS A 66 9.802 10.956 3.498 1.00 1.59 H new ATOM 0 HG3 LYS A 66 9.916 12.645 3.044 1.00 1.59 H new ATOM 0 HD2 LYS A 66 7.839 11.716 2.089 1.00 1.06 H new ATOM 0 HD3 LYS A 66 8.935 12.101 0.776 1.00 1.06 H new ATOM 0 HE2 LYS A 66 9.606 9.666 0.642 1.00 1.81 H new ATOM 0 HE3 LYS A 66 8.474 9.294 1.927 1.00 1.81 H new ATOM 0 HZ1 LYS A 66 7.440 8.989 -0.267 1.00 2.56 H new ATOM 0 HZ2 LYS A 66 6.663 10.245 0.571 1.00 2.56 H new ATOM 0 HZ3 LYS A 66 7.760 10.605 -0.674 1.00 2.56 H new ATOM 1053 N GLU A 67 12.967 10.011 4.087 1.00 0.46 N ATOM 1054 CA GLU A 67 13.179 9.079 5.205 1.00 0.44 C ATOM 1055 C GLU A 67 14.182 9.624 6.246 1.00 0.33 C ATOM 1056 O GLU A 67 13.857 9.650 7.413 1.00 0.26 O ATOM 1057 CB GLU A 67 13.561 7.770 4.441 1.00 0.60 C ATOM 1058 CG GLU A 67 12.262 7.293 3.634 1.00 0.95 C ATOM 1059 CD GLU A 67 12.520 6.213 2.566 1.00 0.75 C ATOM 1060 OE1 GLU A 67 13.210 5.269 2.913 1.00 1.77 O ATOM 1061 OE2 GLU A 67 11.992 6.411 1.477 1.00 2.61 O ATOM 0 H GLU A 67 13.085 9.575 3.172 1.00 0.46 H new ATOM 0 HA GLU A 67 12.325 8.909 5.860 1.00 0.44 H new ATOM 0 HB2 GLU A 67 14.392 7.952 3.759 1.00 0.60 H new ATOM 0 HB3 GLU A 67 13.885 6.998 5.139 1.00 0.60 H new ATOM 0 HG2 GLU A 67 11.530 6.911 4.346 1.00 0.95 H new ATOM 0 HG3 GLU A 67 11.814 8.161 3.151 1.00 0.95 H new ATOM 1068 N ASP A 68 15.372 10.047 5.895 1.00 0.38 N ATOM 1069 CA ASP A 68 16.293 10.570 6.939 1.00 0.34 C ATOM 1070 C ASP A 68 15.713 11.764 7.617 1.00 0.27 C ATOM 1071 O ASP A 68 15.792 11.874 8.821 1.00 0.23 O ATOM 1072 CB ASP A 68 17.565 10.825 6.211 1.00 0.41 C ATOM 1073 CG ASP A 68 18.126 9.444 5.999 1.00 0.48 C ATOM 1074 OD1 ASP A 68 17.705 8.861 5.017 1.00 0.66 O ATOM 1075 OD2 ASP A 68 18.890 9.043 6.846 1.00 0.62 O ATOM 0 H ASP A 68 15.738 10.051 4.943 1.00 0.38 H new ATOM 0 HA ASP A 68 16.464 9.876 7.762 1.00 0.34 H new ATOM 0 HB2 ASP A 68 17.391 11.338 5.265 1.00 0.41 H new ATOM 0 HB3 ASP A 68 18.243 11.450 6.793 1.00 0.41 H new ATOM 1080 N ALA A 69 15.147 12.601 6.806 1.00 0.29 N ATOM 1081 CA ALA A 69 14.513 13.829 7.358 1.00 0.26 C ATOM 1082 C ALA A 69 13.497 13.279 8.389 1.00 0.20 C ATOM 1083 O ALA A 69 13.526 13.693 9.527 1.00 0.24 O ATOM 1084 CB ALA A 69 13.854 14.557 6.213 1.00 0.32 C ATOM 0 H ALA A 69 15.093 12.494 5.793 1.00 0.29 H new ATOM 0 HA ALA A 69 15.192 14.539 7.830 1.00 0.26 H new ATOM 0 HB1 ALA A 69 13.378 15.465 6.585 1.00 0.32 H new ATOM 0 HB2 ALA A 69 14.605 14.820 5.468 1.00 0.32 H new ATOM 0 HB3 ALA A 69 13.101 13.913 5.758 1.00 0.32 H new ATOM 1090 N MET A 70 12.638 12.372 7.991 1.00 0.10 N ATOM 1091 CA MET A 70 11.644 11.780 8.915 1.00 0.07 C ATOM 1092 C MET A 70 12.359 11.274 10.198 1.00 0.10 C ATOM 1093 O MET A 70 12.115 11.742 11.287 1.00 0.17 O ATOM 1094 CB MET A 70 10.969 10.658 8.111 1.00 0.19 C ATOM 1095 CG MET A 70 9.955 11.260 7.098 1.00 0.15 C ATOM 1096 SD MET A 70 8.878 10.163 6.137 1.00 0.30 S ATOM 1097 CE MET A 70 7.368 11.168 6.082 1.00 0.29 C ATOM 0 H MET A 70 12.591 12.014 7.037 1.00 0.10 H new ATOM 0 HA MET A 70 10.894 12.491 9.263 1.00 0.07 H new ATOM 0 HB2 MET A 70 11.723 10.077 7.580 1.00 0.19 H new ATOM 0 HB3 MET A 70 10.456 9.974 8.787 1.00 0.19 H new ATOM 0 HG2 MET A 70 9.311 11.944 7.651 1.00 0.15 H new ATOM 0 HG3 MET A 70 10.523 11.861 6.388 1.00 0.15 H new ATOM 0 HE1 MET A 70 6.663 10.807 6.832 1.00 0.29 H new ATOM 0 HE2 MET A 70 7.616 12.209 6.288 1.00 0.29 H new ATOM 0 HE3 MET A 70 6.916 11.092 5.093 1.00 0.29 H new ATOM 1107 N LYS A 71 13.241 10.337 9.996 1.00 0.15 N ATOM 1108 CA LYS A 71 14.043 9.709 11.089 1.00 0.15 C ATOM 1109 C LYS A 71 14.606 10.779 12.050 1.00 0.17 C ATOM 1110 O LYS A 71 14.219 10.888 13.193 1.00 0.15 O ATOM 1111 CB LYS A 71 15.260 8.908 10.507 1.00 0.14 C ATOM 1112 CG LYS A 71 14.824 7.679 9.680 1.00 0.16 C ATOM 1113 CD LYS A 71 16.081 6.798 9.372 1.00 0.16 C ATOM 1114 CE LYS A 71 17.044 7.419 8.333 1.00 0.30 C ATOM 1115 NZ LYS A 71 16.353 7.513 7.000 1.00 3.01 N ATOM 0 H LYS A 71 13.450 9.961 9.071 1.00 0.15 H new ATOM 0 HA LYS A 71 13.371 9.038 11.624 1.00 0.15 H new ATOM 0 HB2 LYS A 71 15.858 9.569 9.880 1.00 0.14 H new ATOM 0 HB3 LYS A 71 15.900 8.581 11.327 1.00 0.14 H new ATOM 0 HG2 LYS A 71 14.084 7.099 10.230 1.00 0.16 H new ATOM 0 HG3 LYS A 71 14.352 7.999 8.751 1.00 0.16 H new ATOM 0 HD2 LYS A 71 16.626 6.624 10.300 1.00 0.16 H new ATOM 0 HD3 LYS A 71 15.750 5.825 9.010 1.00 0.16 H new ATOM 0 HE2 LYS A 71 17.360 8.409 8.661 1.00 0.30 H new ATOM 0 HE3 LYS A 71 17.944 6.810 8.246 1.00 0.30 H new ATOM 0 HZ1 LYS A 71 17.061 7.652 6.251 1.00 3.01 H new ATOM 0 HZ2 LYS A 71 15.826 6.635 6.820 1.00 3.01 H new ATOM 0 HZ3 LYS A 71 15.694 8.318 7.007 1.00 3.01 H new ATOM 1129 N ALA A 72 15.508 11.559 11.512 1.00 0.21 N ATOM 1130 CA ALA A 72 16.180 12.644 12.263 1.00 0.24 C ATOM 1131 C ALA A 72 15.162 13.536 12.953 1.00 0.12 C ATOM 1132 O ALA A 72 15.293 13.814 14.121 1.00 0.18 O ATOM 1133 CB ALA A 72 17.035 13.421 11.249 1.00 0.45 C ATOM 0 H ALA A 72 15.813 11.478 10.542 1.00 0.21 H new ATOM 0 HA ALA A 72 16.812 12.244 13.056 1.00 0.24 H new ATOM 0 HB1 ALA A 72 17.552 14.235 11.757 1.00 0.45 H new ATOM 0 HB2 ALA A 72 17.767 12.750 10.800 1.00 0.45 H new ATOM 0 HB3 ALA A 72 16.393 13.830 10.469 1.00 0.45 H new ATOM 1139 N TYR A 73 14.159 13.935 12.216 1.00 0.14 N ATOM 1140 CA TYR A 73 13.089 14.819 12.761 1.00 0.28 C ATOM 1141 C TYR A 73 12.547 14.168 14.031 1.00 0.36 C ATOM 1142 O TYR A 73 12.536 14.758 15.088 1.00 0.43 O ATOM 1143 CB TYR A 73 12.037 14.938 11.640 1.00 0.29 C ATOM 1144 CG TYR A 73 10.769 15.700 12.014 1.00 0.23 C ATOM 1145 CD1 TYR A 73 9.663 15.086 12.579 1.00 2.27 C ATOM 1146 CD2 TYR A 73 10.733 17.048 11.772 1.00 2.49 C ATOM 1147 CE1 TYR A 73 8.540 15.840 12.889 1.00 2.36 C ATOM 1148 CE2 TYR A 73 9.627 17.785 12.078 1.00 2.41 C ATOM 1149 CZ TYR A 73 8.518 17.193 12.640 1.00 0.30 C ATOM 1150 OH TYR A 73 7.409 17.946 12.962 1.00 0.39 O ATOM 0 H TYR A 73 14.035 13.679 11.237 1.00 0.14 H new ATOM 0 HA TYR A 73 13.428 15.817 13.037 1.00 0.28 H new ATOM 0 HB2 TYR A 73 12.497 15.430 10.783 1.00 0.29 H new ATOM 0 HB3 TYR A 73 11.757 13.935 11.319 1.00 0.29 H new ATOM 0 HD1 TYR A 73 9.675 14.024 12.777 1.00 2.27 H new ATOM 0 HD2 TYR A 73 11.592 17.534 11.333 1.00 2.49 H new ATOM 0 HE1 TYR A 73 7.677 15.362 13.329 1.00 2.36 H new ATOM 0 HE2 TYR A 73 9.621 18.846 11.877 1.00 2.41 H new ATOM 0 HH TYR A 73 6.871 18.096 12.157 1.00 0.39 H new ATOM 1160 N ILE A 74 12.140 12.944 13.854 1.00 0.34 N ATOM 1161 CA ILE A 74 11.564 12.120 14.965 1.00 0.43 C ATOM 1162 C ILE A 74 12.515 11.960 16.146 1.00 0.24 C ATOM 1163 O ILE A 74 12.182 12.348 17.247 1.00 0.33 O ATOM 1164 CB ILE A 74 11.195 10.725 14.420 1.00 0.50 C ATOM 1165 CG1 ILE A 74 10.069 10.839 13.377 1.00 0.53 C ATOM 1166 CG2 ILE A 74 10.668 9.875 15.603 1.00 0.83 C ATOM 1167 CD1 ILE A 74 10.026 9.531 12.576 1.00 0.52 C ATOM 0 H ILE A 74 12.182 12.460 12.957 1.00 0.34 H new ATOM 0 HA ILE A 74 10.683 12.646 15.332 1.00 0.43 H new ATOM 0 HB ILE A 74 12.072 10.272 13.957 1.00 0.50 H new ATOM 0 HG12 ILE A 74 9.112 11.016 13.868 1.00 0.53 H new ATOM 0 HG13 ILE A 74 10.249 11.685 12.714 1.00 0.53 H new ATOM 0 HG21 ILE A 74 10.399 8.881 15.245 1.00 0.83 H new ATOM 0 HG22 ILE A 74 11.444 9.789 16.364 1.00 0.83 H new ATOM 0 HG23 ILE A 74 9.790 10.356 16.034 1.00 0.83 H new ATOM 0 HD11 ILE A 74 9.234 9.588 11.829 1.00 0.52 H new ATOM 0 HD12 ILE A 74 10.984 9.377 12.079 1.00 0.52 H new ATOM 0 HD13 ILE A 74 9.829 8.698 13.250 1.00 0.52 H new ATOM 1179 N ASP A 75 13.669 11.405 15.915 1.00 0.11 N ATOM 1180 CA ASP A 75 14.637 11.215 17.008 1.00 0.27 C ATOM 1181 C ASP A 75 14.856 12.611 17.649 1.00 0.17 C ATOM 1182 O ASP A 75 14.786 12.801 18.850 1.00 0.20 O ATOM 1183 CB ASP A 75 15.830 10.576 16.288 1.00 0.58 C ATOM 1184 CG ASP A 75 15.535 9.115 15.939 1.00 0.85 C ATOM 1185 OD1 ASP A 75 15.479 8.315 16.854 1.00 1.06 O ATOM 1186 OD2 ASP A 75 15.377 8.875 14.757 1.00 0.88 O ATOM 0 H ASP A 75 13.980 11.073 15.002 1.00 0.11 H new ATOM 0 HA ASP A 75 14.362 10.574 17.845 1.00 0.27 H new ATOM 0 HB2 ASP A 75 16.053 11.134 15.379 1.00 0.58 H new ATOM 0 HB3 ASP A 75 16.715 10.632 16.921 1.00 0.58 H new ATOM 1191 N LYS A 76 15.089 13.584 16.808 1.00 0.23 N ATOM 1192 CA LYS A 76 15.310 14.965 17.335 1.00 0.30 C ATOM 1193 C LYS A 76 14.125 15.323 18.257 1.00 0.33 C ATOM 1194 O LYS A 76 14.285 15.780 19.376 1.00 0.38 O ATOM 1195 CB LYS A 76 15.350 15.986 16.201 1.00 0.17 C ATOM 1196 CG LYS A 76 16.261 17.149 16.678 1.00 0.60 C ATOM 1197 CD LYS A 76 17.666 17.005 16.021 1.00 2.01 C ATOM 1198 CE LYS A 76 18.762 17.671 16.858 1.00 1.53 C ATOM 1199 NZ LYS A 76 19.439 16.574 17.610 1.00 3.72 N ATOM 0 H LYS A 76 15.136 13.487 15.794 1.00 0.23 H new ATOM 0 HA LYS A 76 16.261 14.990 17.868 1.00 0.30 H new ATOM 0 HB2 LYS A 76 15.743 15.536 15.289 1.00 0.17 H new ATOM 0 HB3 LYS A 76 14.348 16.349 15.972 1.00 0.17 H new ATOM 0 HG2 LYS A 76 15.817 18.108 16.409 1.00 0.60 H new ATOM 0 HG3 LYS A 76 16.351 17.133 17.764 1.00 0.60 H new ATOM 0 HD2 LYS A 76 17.900 15.948 15.893 1.00 2.01 H new ATOM 0 HD3 LYS A 76 17.648 17.450 15.026 1.00 2.01 H new ATOM 0 HE2 LYS A 76 19.470 18.200 16.221 1.00 1.53 H new ATOM 0 HE3 LYS A 76 18.337 18.406 17.541 1.00 1.53 H new ATOM 0 HZ1 LYS A 76 19.527 16.842 18.611 1.00 3.72 H new ATOM 0 HZ2 LYS A 76 18.877 15.702 17.534 1.00 3.72 H new ATOM 0 HZ3 LYS A 76 20.385 16.412 17.210 1.00 3.72 H new ATOM 1213 N VAL A 77 12.935 15.100 17.761 1.00 0.29 N ATOM 1214 CA VAL A 77 11.739 15.417 18.590 1.00 0.37 C ATOM 1215 C VAL A 77 11.803 14.637 19.897 1.00 0.43 C ATOM 1216 O VAL A 77 11.587 15.243 20.921 1.00 0.54 O ATOM 1217 CB VAL A 77 10.429 15.054 17.826 1.00 0.38 C ATOM 1218 CG1 VAL A 77 9.240 15.135 18.824 1.00 0.52 C ATOM 1219 CG2 VAL A 77 10.176 16.114 16.727 1.00 0.37 C ATOM 0 H VAL A 77 12.743 14.719 16.834 1.00 0.29 H new ATOM 0 HA VAL A 77 11.733 16.486 18.801 1.00 0.37 H new ATOM 0 HB VAL A 77 10.520 14.058 17.393 1.00 0.38 H new ATOM 0 HG11 VAL A 77 8.314 14.884 18.307 1.00 0.52 H new ATOM 0 HG12 VAL A 77 9.402 14.432 19.641 1.00 0.52 H new ATOM 0 HG13 VAL A 77 9.170 16.146 19.225 1.00 0.52 H new ATOM 0 HG21 VAL A 77 9.261 15.868 16.188 1.00 0.37 H new ATOM 0 HG22 VAL A 77 10.073 17.097 17.186 1.00 0.37 H new ATOM 0 HG23 VAL A 77 11.015 16.125 16.032 1.00 0.37 H new ATOM 1229 N GLU A 78 12.075 13.356 19.864 1.00 0.40 N ATOM 1230 CA GLU A 78 12.136 12.603 21.160 1.00 0.48 C ATOM 1231 C GLU A 78 13.070 13.370 22.110 1.00 0.42 C ATOM 1232 O GLU A 78 12.741 13.552 23.275 1.00 0.45 O ATOM 1233 CB GLU A 78 12.708 11.188 21.011 1.00 0.72 C ATOM 1234 CG GLU A 78 12.324 10.471 22.378 1.00 0.63 C ATOM 1235 CD GLU A 78 13.376 9.520 22.961 1.00 1.80 C ATOM 1236 OE1 GLU A 78 14.526 9.469 22.574 1.00 1.89 O ATOM 1237 OE2 GLU A 78 12.966 8.841 23.882 1.00 3.42 O ATOM 0 H GLU A 78 12.253 12.809 19.022 1.00 0.40 H new ATOM 0 HA GLU A 78 11.115 12.518 21.533 1.00 0.48 H new ATOM 0 HB2 GLU A 78 12.276 10.671 20.154 1.00 0.72 H new ATOM 0 HB3 GLU A 78 13.787 11.208 20.860 1.00 0.72 H new ATOM 0 HG2 GLU A 78 12.108 11.240 23.120 1.00 0.63 H new ATOM 0 HG3 GLU A 78 11.402 9.910 22.224 1.00 0.63 H new ATOM 1244 N GLU A 79 14.192 13.829 21.597 1.00 0.37 N ATOM 1245 CA GLU A 79 15.155 14.591 22.468 1.00 0.39 C ATOM 1246 C GLU A 79 14.296 15.747 23.048 1.00 0.32 C ATOM 1247 O GLU A 79 14.142 15.926 24.243 1.00 0.45 O ATOM 1248 CB GLU A 79 16.335 15.192 21.614 1.00 0.45 C ATOM 1249 CG GLU A 79 17.117 14.175 20.681 1.00 0.59 C ATOM 1250 CD GLU A 79 18.133 14.913 19.761 1.00 0.92 C ATOM 1251 OE1 GLU A 79 18.515 16.032 20.081 1.00 1.01 O ATOM 1252 OE2 GLU A 79 18.529 14.362 18.740 1.00 1.84 O ATOM 0 H GLU A 79 14.481 13.712 20.626 1.00 0.37 H new ATOM 0 HA GLU A 79 15.608 13.958 23.231 1.00 0.39 H new ATOM 0 HB2 GLU A 79 15.933 15.990 20.989 1.00 0.45 H new ATOM 0 HB3 GLU A 79 17.051 15.651 22.296 1.00 0.45 H new ATOM 0 HG2 GLU A 79 17.644 13.446 21.297 1.00 0.59 H new ATOM 0 HG3 GLU A 79 16.406 13.620 20.069 1.00 0.59 H new ATOM 1259 N LEU A 80 13.744 16.517 22.149 1.00 0.14 N ATOM 1260 CA LEU A 80 12.878 17.673 22.568 1.00 0.11 C ATOM 1261 C LEU A 80 11.767 17.263 23.542 1.00 0.28 C ATOM 1262 O LEU A 80 11.365 18.011 24.408 1.00 0.80 O ATOM 1263 CB LEU A 80 12.177 18.333 21.348 1.00 0.29 C ATOM 1264 CG LEU A 80 13.124 18.797 20.229 1.00 0.41 C ATOM 1265 CD1 LEU A 80 12.285 19.498 19.143 1.00 0.64 C ATOM 1266 CD2 LEU A 80 14.144 19.794 20.733 1.00 0.60 C ATOM 0 H LEU A 80 13.851 16.401 21.141 1.00 0.14 H new ATOM 0 HA LEU A 80 13.561 18.369 23.056 1.00 0.11 H new ATOM 0 HB2 LEU A 80 11.464 17.623 20.929 1.00 0.29 H new ATOM 0 HB3 LEU A 80 11.604 19.191 21.698 1.00 0.29 H new ATOM 0 HG LEU A 80 13.648 17.922 19.845 1.00 0.41 H new ATOM 0 HD11 LEU A 80 12.939 19.835 18.339 1.00 0.64 H new ATOM 0 HD12 LEU A 80 11.550 18.799 18.744 1.00 0.64 H new ATOM 0 HD13 LEU A 80 11.772 20.356 19.577 1.00 0.64 H new ATOM 0 HD21 LEU A 80 14.794 20.097 19.912 1.00 0.60 H new ATOM 0 HD22 LEU A 80 13.631 20.669 21.131 1.00 0.60 H new ATOM 0 HD23 LEU A 80 14.743 19.335 21.520 1.00 0.60 H new ATOM 1278 N LYS A 81 11.305 16.065 23.408 1.00 0.22 N ATOM 1279 CA LYS A 81 10.209 15.594 24.296 1.00 0.22 C ATOM 1280 C LYS A 81 10.740 15.345 25.689 1.00 0.23 C ATOM 1281 O LYS A 81 10.107 15.696 26.659 1.00 0.47 O ATOM 1282 CB LYS A 81 9.619 14.330 23.698 1.00 0.33 C ATOM 1283 CG LYS A 81 8.444 13.936 24.587 1.00 0.27 C ATOM 1284 CD LYS A 81 7.783 12.662 24.051 1.00 0.60 C ATOM 1285 CE LYS A 81 7.057 12.014 25.212 1.00 2.42 C ATOM 1286 NZ LYS A 81 8.097 11.548 26.195 1.00 4.17 N ATOM 0 H LYS A 81 11.635 15.385 22.723 1.00 0.22 H new ATOM 0 HA LYS A 81 9.430 16.352 24.373 1.00 0.22 H new ATOM 0 HB2 LYS A 81 9.289 14.503 22.674 1.00 0.33 H new ATOM 0 HB3 LYS A 81 10.363 13.534 23.663 1.00 0.33 H new ATOM 0 HG2 LYS A 81 8.789 13.774 25.608 1.00 0.27 H new ATOM 0 HG3 LYS A 81 7.716 14.746 24.621 1.00 0.27 H new ATOM 0 HD2 LYS A 81 7.088 12.899 23.246 1.00 0.60 H new ATOM 0 HD3 LYS A 81 8.531 11.985 23.638 1.00 0.60 H new ATOM 0 HE2 LYS A 81 6.376 12.724 25.682 1.00 2.42 H new ATOM 0 HE3 LYS A 81 6.454 11.175 24.866 1.00 2.42 H new ATOM 0 HZ1 LYS A 81 7.782 10.662 26.639 1.00 4.17 H new ATOM 0 HZ2 LYS A 81 8.996 11.386 25.698 1.00 4.17 H new ATOM 0 HZ3 LYS A 81 8.232 12.274 26.928 1.00 4.17 H new ATOM 1300 N LYS A 82 11.884 14.744 25.769 1.00 0.29 N ATOM 1301 CA LYS A 82 12.458 14.483 27.120 1.00 0.58 C ATOM 1302 C LYS A 82 12.992 15.814 27.686 1.00 0.48 C ATOM 1303 O LYS A 82 12.932 16.064 28.871 1.00 0.45 O ATOM 1304 CB LYS A 82 13.521 13.423 26.891 1.00 0.79 C ATOM 1305 CG LYS A 82 12.741 12.129 26.557 1.00 1.01 C ATOM 1306 CD LYS A 82 13.493 11.251 25.586 1.00 0.72 C ATOM 1307 CE LYS A 82 14.872 10.912 26.051 1.00 2.73 C ATOM 1308 NZ LYS A 82 15.338 9.749 25.237 1.00 3.70 N ATOM 0 H LYS A 82 12.443 14.425 24.978 1.00 0.29 H new ATOM 0 HA LYS A 82 11.747 14.117 27.861 1.00 0.58 H new ATOM 0 HB2 LYS A 82 14.186 13.703 26.074 1.00 0.79 H new ATOM 0 HB3 LYS A 82 14.142 13.291 27.777 1.00 0.79 H new ATOM 0 HG2 LYS A 82 12.550 11.574 27.475 1.00 1.01 H new ATOM 0 HG3 LYS A 82 11.771 12.389 26.134 1.00 1.01 H new ATOM 0 HD2 LYS A 82 12.932 10.330 25.429 1.00 0.72 H new ATOM 0 HD3 LYS A 82 13.555 11.755 24.622 1.00 0.72 H new ATOM 0 HE2 LYS A 82 15.541 11.763 25.924 1.00 2.73 H new ATOM 0 HE3 LYS A 82 14.870 10.663 27.112 1.00 2.73 H new ATOM 0 HZ1 LYS A 82 16.202 9.353 25.660 1.00 3.70 H new ATOM 0 HZ2 LYS A 82 14.597 9.020 25.218 1.00 3.70 H new ATOM 0 HZ3 LYS A 82 15.540 10.063 24.266 1.00 3.70 H new ATOM 1322 N LYS A 83 13.498 16.639 26.812 1.00 0.55 N ATOM 1323 CA LYS A 83 14.062 17.986 27.186 1.00 0.55 C ATOM 1324 C LYS A 83 13.020 19.026 27.602 1.00 0.79 C ATOM 1325 O LYS A 83 13.180 19.764 28.549 1.00 1.13 O ATOM 1326 CB LYS A 83 14.841 18.486 25.973 1.00 0.23 C ATOM 1327 CG LYS A 83 15.931 19.521 26.345 1.00 0.42 C ATOM 1328 CD LYS A 83 16.868 19.664 25.109 1.00 1.22 C ATOM 1329 CE LYS A 83 16.224 20.427 23.947 1.00 1.31 C ATOM 1330 NZ LYS A 83 16.473 21.884 24.169 1.00 1.05 N ATOM 0 H LYS A 83 13.549 16.434 25.814 1.00 0.55 H new ATOM 0 HA LYS A 83 14.686 17.855 28.070 1.00 0.55 H new ATOM 0 HB2 LYS A 83 15.308 17.638 25.472 1.00 0.23 H new ATOM 0 HB3 LYS A 83 14.148 18.935 25.262 1.00 0.23 H new ATOM 0 HG2 LYS A 83 15.480 20.480 26.600 1.00 0.42 H new ATOM 0 HG3 LYS A 83 16.493 19.191 27.219 1.00 0.42 H new ATOM 0 HD2 LYS A 83 17.781 20.178 25.411 1.00 1.22 H new ATOM 0 HD3 LYS A 83 17.160 18.671 24.766 1.00 1.22 H new ATOM 0 HE2 LYS A 83 16.650 20.106 22.996 1.00 1.31 H new ATOM 0 HE3 LYS A 83 15.154 20.224 23.902 1.00 1.31 H new ATOM 0 HZ1 LYS A 83 15.565 22.378 24.280 1.00 1.05 H new ATOM 0 HZ2 LYS A 83 17.044 22.012 25.029 1.00 1.05 H new ATOM 0 HZ3 LYS A 83 16.984 22.277 23.353 1.00 1.05 H new ATOM 1344 N TYR A 84 11.978 19.051 26.836 1.00 0.70 N ATOM 1345 CA TYR A 84 10.817 20.000 27.051 1.00 1.06 C ATOM 1346 C TYR A 84 9.482 19.377 27.574 1.00 1.85 C ATOM 1347 O TYR A 84 8.768 20.032 28.307 1.00 2.79 O ATOM 1348 CB TYR A 84 10.512 20.728 25.715 1.00 1.22 C ATOM 1349 CG TYR A 84 11.654 21.646 25.260 1.00 0.95 C ATOM 1350 CD1 TYR A 84 12.036 22.726 26.028 1.00 0.69 C ATOM 1351 CD2 TYR A 84 12.308 21.412 24.070 1.00 1.29 C ATOM 1352 CE1 TYR A 84 13.056 23.557 25.608 1.00 0.80 C ATOM 1353 CE2 TYR A 84 13.326 22.240 23.647 1.00 1.55 C ATOM 1354 CZ TYR A 84 13.702 23.312 24.416 1.00 1.35 C ATOM 1355 OH TYR A 84 14.730 24.117 23.977 1.00 1.78 O ATOM 0 H TYR A 84 11.861 18.435 26.032 1.00 0.70 H new ATOM 0 HA TYR A 84 11.156 20.662 27.848 1.00 1.06 H new ATOM 0 HB2 TYR A 84 10.318 19.987 24.940 1.00 1.22 H new ATOM 0 HB3 TYR A 84 9.602 21.317 25.828 1.00 1.22 H new ATOM 0 HD1 TYR A 84 11.534 22.923 26.964 1.00 0.69 H new ATOM 0 HD2 TYR A 84 12.019 20.569 23.460 1.00 1.29 H new ATOM 0 HE1 TYR A 84 13.348 24.401 26.215 1.00 0.80 H new ATOM 0 HE2 TYR A 84 13.827 22.045 22.711 1.00 1.55 H new ATOM 0 HH TYR A 84 15.203 24.493 24.748 1.00 1.78 H new