USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.137) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -121:sc= -1.31 (180deg=-2.92) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 52:sc= 0.515 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -115:sc= 0.468 (180deg=-0.303) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= 0.279 (180deg=-0.0674) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -156:sc= -0.0724 (180deg=-0.447) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.142) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl -119:sc= -0.73 (180deg=-2.05!) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot 180:sc= -0.624 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ -124:sc= -0.0908 (180deg=-0.576) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ -158:sc= 0.245 (180deg=-0.0382) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -14.745 20.595 -2.053 1.00 61.22 N ATOM 19 CA LYS A 2 -13.338 20.341 -2.341 1.00 0.31 C ATOM 20 C LYS A 2 -12.539 21.641 -2.335 1.00 33.52 C ATOM 21 O LYS A 2 -13.021 22.676 -1.874 1.00 20.05 O ATOM 22 CB LYS A 2 -13.191 19.646 -3.696 1.00 0.12 C ATOM 23 CG LYS A 2 -13.416 20.568 -4.881 1.00 23.40 C ATOM 24 CD LYS A 2 -13.901 19.801 -6.100 1.00 3.43 C ATOM 25 CE LYS A 2 -12.824 18.872 -6.639 1.00 71.20 C ATOM 26 NZ LYS A 2 -13.238 18.225 -7.915 1.00 2.20 N ATOM 0 HA LYS A 2 -12.945 19.689 -1.561 1.00 0.31 H new ATOM 0 HB2 LYS A 2 -12.193 19.214 -3.767 1.00 0.12 H new ATOM 0 HB3 LYS A 2 -13.900 18.820 -3.750 1.00 0.12 H new ATOM 0 HG2 LYS A 2 -14.147 21.331 -4.616 1.00 23.40 H new ATOM 0 HG3 LYS A 2 -12.488 21.086 -5.122 1.00 23.40 H new ATOM 0 HD2 LYS A 2 -14.786 19.221 -5.838 1.00 3.43 H new ATOM 0 HD3 LYS A 2 -14.200 20.503 -6.878 1.00 3.43 H new ATOM 0 HE2 LYS A 2 -11.905 19.436 -6.799 1.00 71.20 H new ATOM 0 HE3 LYS A 2 -12.602 18.104 -5.898 1.00 71.20 H new ATOM 0 HZ1 LYS A 2 -12.477 17.600 -8.250 1.00 2.20 H new ATOM 0 HZ2 LYS A 2 -14.101 17.666 -7.757 1.00 2.20 H new ATOM 0 HZ3 LYS A 2 -13.425 18.956 -8.630 1.00 2.20 H new ATOM 40 N LYS A 3 -11.316 21.580 -2.850 1.00 33.15 N ATOM 41 CA LYS A 3 -10.450 22.752 -2.907 1.00 33.25 C ATOM 42 C LYS A 3 -9.108 22.405 -3.543 1.00 2.31 C ATOM 43 O LYS A 3 -8.668 23.065 -4.486 1.00 12.43 O ATOM 44 CB LYS A 3 -10.228 23.317 -1.501 1.00 64.43 C ATOM 45 CG LYS A 3 -10.923 24.647 -1.264 1.00 22.21 C ATOM 46 CD LYS A 3 -9.942 25.714 -0.810 1.00 0.12 C ATOM 47 CE LYS A 3 -10.634 26.797 0.003 1.00 72.13 C ATOM 48 NZ LYS A 3 -11.542 27.626 -0.838 1.00 54.44 N ATOM 0 H LYS A 3 -10.902 20.731 -3.234 1.00 33.15 H new ATOM 0 HA LYS A 3 -10.941 23.506 -3.522 1.00 33.25 H new ATOM 0 HB2 LYS A 3 -10.585 22.594 -0.767 1.00 64.43 H new ATOM 0 HB3 LYS A 3 -9.158 23.440 -1.333 1.00 64.43 H new ATOM 0 HG2 LYS A 3 -11.415 24.970 -2.181 1.00 22.21 H new ATOM 0 HG3 LYS A 3 -11.702 24.523 -0.511 1.00 22.21 H new ATOM 0 HD2 LYS A 3 -9.155 25.255 -0.212 1.00 0.12 H new ATOM 0 HD3 LYS A 3 -9.461 26.162 -1.680 1.00 0.12 H new ATOM 0 HE2 LYS A 3 -11.205 26.337 0.809 1.00 72.13 H new ATOM 0 HE3 LYS A 3 -9.884 27.437 0.468 1.00 72.13 H new ATOM 0 HZ1 LYS A 3 -11.995 28.353 -0.248 1.00 54.44 H new ATOM 0 HZ2 LYS A 3 -10.993 28.085 -1.593 1.00 54.44 H new ATOM 0 HZ3 LYS A 3 -12.273 27.019 -1.262 1.00 54.44 H new ATOM 62 N LEU A 4 -8.462 21.367 -3.024 1.00 23.23 N ATOM 63 CA LEU A 4 -7.169 20.932 -3.544 1.00 64.04 C ATOM 64 C LEU A 4 -6.614 19.774 -2.722 1.00 70.14 C ATOM 65 O LEU A 4 -5.918 18.905 -3.248 1.00 1.11 O ATOM 66 CB LEU A 4 -6.178 22.097 -3.540 1.00 21.31 C ATOM 67 CG LEU A 4 -5.401 22.322 -4.838 1.00 13.30 C ATOM 68 CD1 LEU A 4 -4.541 21.110 -5.162 1.00 73.24 C ATOM 69 CD2 LEU A 4 -6.355 22.625 -5.984 1.00 30.05 C ATOM 0 H LEU A 4 -8.812 20.811 -2.244 1.00 23.23 H new ATOM 0 HA LEU A 4 -7.313 20.589 -4.569 1.00 64.04 H new ATOM 0 HB2 LEU A 4 -6.723 23.011 -3.303 1.00 21.31 H new ATOM 0 HB3 LEU A 4 -5.462 21.936 -2.735 1.00 21.31 H new ATOM 0 HG LEU A 4 -4.744 23.181 -4.702 1.00 13.30 H new ATOM 0 HD11 LEU A 4 -3.996 21.288 -6.089 1.00 73.24 H new ATOM 0 HD12 LEU A 4 -3.833 20.939 -4.351 1.00 73.24 H new ATOM 0 HD13 LEU A 4 -5.178 20.233 -5.279 1.00 73.24 H new ATOM 0 HD21 LEU A 4 -5.785 22.782 -6.900 1.00 30.05 H new ATOM 0 HD22 LEU A 4 -7.037 21.786 -6.121 1.00 30.05 H new ATOM 0 HD23 LEU A 4 -6.927 23.524 -5.753 1.00 30.05 H new ATOM 81 N ARG A 5 -6.929 19.766 -1.431 1.00 53.20 N ATOM 82 CA ARG A 5 -6.462 18.714 -0.537 1.00 21.33 C ATOM 83 C ARG A 5 -7.164 17.393 -0.838 1.00 31.21 C ATOM 84 O ARG A 5 -6.646 16.320 -0.531 1.00 41.42 O ATOM 85 CB ARG A 5 -6.702 19.110 0.921 1.00 45.43 C ATOM 86 CG ARG A 5 -6.281 20.535 1.242 1.00 24.21 C ATOM 87 CD ARG A 5 -7.487 21.435 1.461 1.00 41.21 C ATOM 88 NE ARG A 5 -7.239 22.440 2.492 1.00 71.15 N ATOM 89 CZ ARG A 5 -6.503 23.528 2.296 1.00 13.13 C ATOM 90 NH1 ARG A 5 -5.944 23.750 1.115 1.00 11.43 N ATOM 91 NH2 ARG A 5 -6.323 24.395 3.285 1.00 44.41 N ATOM 0 H ARG A 5 -7.506 20.477 -0.981 1.00 53.20 H new ATOM 0 HA ARG A 5 -5.392 18.583 -0.700 1.00 21.33 H new ATOM 0 HB2 ARG A 5 -7.761 18.992 1.151 1.00 45.43 H new ATOM 0 HB3 ARG A 5 -6.157 18.424 1.569 1.00 45.43 H new ATOM 0 HG2 ARG A 5 -5.656 20.539 2.135 1.00 24.21 H new ATOM 0 HG3 ARG A 5 -5.675 20.929 0.427 1.00 24.21 H new ATOM 0 HD2 ARG A 5 -7.744 21.931 0.525 1.00 41.21 H new ATOM 0 HD3 ARG A 5 -8.346 20.827 1.746 1.00 41.21 H new ATOM 0 HE ARG A 5 -7.654 22.298 3.413 1.00 71.15 H new ATOM 0 HH11 ARG A 5 -6.079 23.084 0.354 1.00 11.43 H new ATOM 0 HH12 ARG A 5 -5.379 24.586 0.967 1.00 11.43 H new ATOM 0 HH21 ARG A 5 -6.750 24.226 4.196 1.00 44.41 H new ATOM 0 HH22 ARG A 5 -5.758 25.231 3.134 1.00 44.41 H new ATOM 105 N GLU A 6 -8.346 17.481 -1.441 1.00 2.02 N ATOM 106 CA GLU A 6 -9.119 16.293 -1.782 1.00 42.23 C ATOM 107 C GLU A 6 -8.287 15.324 -2.616 1.00 24.54 C ATOM 108 O GLU A 6 -8.452 14.108 -2.521 1.00 1.25 O ATOM 109 CB GLU A 6 -10.386 16.684 -2.547 1.00 10.32 C ATOM 110 CG GLU A 6 -11.523 15.690 -2.389 1.00 74.32 C ATOM 111 CD GLU A 6 -11.897 15.017 -3.695 1.00 71.43 C ATOM 112 OE1 GLU A 6 -13.099 15.009 -4.035 1.00 25.30 O ATOM 113 OE2 GLU A 6 -10.989 14.499 -4.378 1.00 11.30 O ATOM 0 H GLU A 6 -8.788 18.362 -1.703 1.00 2.02 H new ATOM 0 HA GLU A 6 -9.402 15.796 -0.854 1.00 42.23 H new ATOM 0 HB2 GLU A 6 -10.720 17.663 -2.203 1.00 10.32 H new ATOM 0 HB3 GLU A 6 -10.145 16.783 -3.606 1.00 10.32 H new ATOM 0 HG2 GLU A 6 -11.237 14.930 -1.662 1.00 74.32 H new ATOM 0 HG3 GLU A 6 -12.396 16.204 -1.987 1.00 74.32 H new ATOM 121 N GLU A 7 -7.393 15.872 -3.433 1.00 22.52 N ATOM 122 CA GLU A 7 -6.536 15.054 -4.285 1.00 52.51 C ATOM 123 C GLU A 7 -5.763 14.032 -3.457 1.00 65.31 C ATOM 124 O GLU A 7 -5.806 12.833 -3.734 1.00 5.00 O ATOM 125 CB GLU A 7 -5.560 15.940 -5.063 1.00 25.40 C ATOM 126 CG GLU A 7 -6.203 16.681 -6.223 1.00 62.05 C ATOM 127 CD GLU A 7 -5.970 15.996 -7.555 1.00 64.23 C ATOM 128 OE1 GLU A 7 -5.631 14.795 -7.552 1.00 31.41 O ATOM 129 OE2 GLU A 7 -6.126 16.661 -8.601 1.00 30.10 O ATOM 0 H GLU A 7 -7.243 16.877 -3.523 1.00 22.52 H new ATOM 0 HA GLU A 7 -7.171 14.518 -4.990 1.00 52.51 H new ATOM 0 HB2 GLU A 7 -5.117 16.665 -4.380 1.00 25.40 H new ATOM 0 HB3 GLU A 7 -4.746 15.323 -5.444 1.00 25.40 H new ATOM 0 HG2 GLU A 7 -7.275 16.766 -6.045 1.00 62.05 H new ATOM 0 HG3 GLU A 7 -5.806 17.695 -6.266 1.00 62.05 H new ATOM 137 N ALA A 8 -5.056 14.515 -2.441 1.00 31.32 N ATOM 138 CA ALA A 8 -4.274 13.643 -1.573 1.00 13.21 C ATOM 139 C ALA A 8 -5.133 12.517 -1.008 1.00 12.31 C ATOM 140 O ALA A 8 -4.632 11.436 -0.701 1.00 34.01 O ATOM 141 CB ALA A 8 -3.646 14.448 -0.444 1.00 61.25 C ATOM 0 H ALA A 8 -5.009 15.505 -2.199 1.00 31.32 H new ATOM 0 HA ALA A 8 -3.480 13.194 -2.170 1.00 13.21 H new ATOM 0 HB1 ALA A 8 -3.065 13.784 0.196 1.00 61.25 H new ATOM 0 HB2 ALA A 8 -2.992 15.213 -0.863 1.00 61.25 H new ATOM 0 HB3 ALA A 8 -4.431 14.924 0.144 1.00 61.25 H new ATOM 147 N ALA A 9 -6.429 12.779 -0.873 1.00 21.10 N ATOM 148 CA ALA A 9 -7.358 11.786 -0.346 1.00 43.24 C ATOM 149 C ALA A 9 -7.504 10.608 -1.303 1.00 3.33 C ATOM 150 O ALA A 9 -7.564 9.454 -0.879 1.00 2.25 O ATOM 151 CB ALA A 9 -8.713 12.423 -0.078 1.00 62.34 C ATOM 0 H ALA A 9 -6.859 13.670 -1.121 1.00 21.10 H new ATOM 0 HA ALA A 9 -6.954 11.408 0.593 1.00 43.24 H new ATOM 0 HB1 ALA A 9 -9.397 11.671 0.315 1.00 62.34 H new ATOM 0 HB2 ALA A 9 -8.600 13.226 0.650 1.00 62.34 H new ATOM 0 HB3 ALA A 9 -9.114 12.829 -1.007 1.00 62.34 H new ATOM 157 N LYS A 10 -7.562 10.906 -2.596 1.00 22.00 N ATOM 158 CA LYS A 10 -7.700 9.872 -3.614 1.00 65.35 C ATOM 159 C LYS A 10 -6.496 8.935 -3.606 1.00 61.23 C ATOM 160 O LYS A 10 -6.623 7.743 -3.891 1.00 45.12 O ATOM 161 CB LYS A 10 -7.855 10.507 -4.999 1.00 54.52 C ATOM 162 CG LYS A 10 -8.857 11.649 -5.034 1.00 64.40 C ATOM 163 CD LYS A 10 -9.888 11.451 -6.133 1.00 63.14 C ATOM 164 CE LYS A 10 -9.461 12.127 -7.428 1.00 14.31 C ATOM 165 NZ LYS A 10 -10.508 12.020 -8.481 1.00 23.24 N ATOM 0 H LYS A 10 -7.516 11.856 -2.964 1.00 22.00 H new ATOM 0 HA LYS A 10 -8.593 9.290 -3.385 1.00 65.35 H new ATOM 0 HB2 LYS A 10 -6.885 10.875 -5.332 1.00 54.52 H new ATOM 0 HB3 LYS A 10 -8.165 9.740 -5.709 1.00 54.52 H new ATOM 0 HG2 LYS A 10 -9.361 11.722 -4.070 1.00 64.40 H new ATOM 0 HG3 LYS A 10 -8.332 12.591 -5.192 1.00 64.40 H new ATOM 0 HD2 LYS A 10 -10.034 10.385 -6.309 1.00 63.14 H new ATOM 0 HD3 LYS A 10 -10.848 11.855 -5.810 1.00 63.14 H new ATOM 0 HE2 LYS A 10 -9.246 13.178 -7.235 1.00 14.31 H new ATOM 0 HE3 LYS A 10 -8.537 11.673 -7.787 1.00 14.31 H new ATOM 0 HZ1 LYS A 10 -10.179 12.493 -9.347 1.00 23.24 H new ATOM 0 HZ2 LYS A 10 -10.695 11.017 -8.684 1.00 23.24 H new ATOM 0 HZ3 LYS A 10 -11.382 12.475 -8.149 1.00 23.24 H new ATOM 179 N LEU A 11 -5.331 9.480 -3.276 1.00 43.14 N ATOM 180 CA LEU A 11 -4.104 8.692 -3.229 1.00 55.20 C ATOM 181 C LEU A 11 -4.291 7.445 -2.370 1.00 54.30 C ATOM 182 O LEU A 11 -3.877 6.350 -2.749 1.00 3.15 O ATOM 183 CB LEU A 11 -2.953 9.537 -2.679 1.00 41.12 C ATOM 184 CG LEU A 11 -2.645 10.828 -3.439 1.00 60.13 C ATOM 185 CD1 LEU A 11 -1.408 11.502 -2.867 1.00 25.34 C ATOM 186 CD2 LEU A 11 -2.462 10.543 -4.923 1.00 60.14 C ATOM 0 H LEU A 11 -5.210 10.464 -3.037 1.00 43.14 H new ATOM 0 HA LEU A 11 -3.863 8.378 -4.245 1.00 55.20 H new ATOM 0 HB2 LEU A 11 -3.179 9.793 -1.644 1.00 41.12 H new ATOM 0 HB3 LEU A 11 -2.052 8.923 -2.666 1.00 41.12 H new ATOM 0 HG LEU A 11 -3.490 11.506 -3.322 1.00 60.13 H new ATOM 0 HD11 LEU A 11 -1.204 12.419 -3.420 1.00 25.34 H new ATOM 0 HD12 LEU A 11 -1.577 11.742 -1.817 1.00 25.34 H new ATOM 0 HD13 LEU A 11 -0.555 10.829 -2.953 1.00 25.34 H new ATOM 0 HD21 LEU A 11 -2.244 11.473 -5.448 1.00 60.14 H new ATOM 0 HD22 LEU A 11 -1.635 9.846 -5.060 1.00 60.14 H new ATOM 0 HD23 LEU A 11 -3.376 10.106 -5.325 1.00 60.14 H new ATOM 198 N PHE A 12 -4.919 7.620 -1.212 1.00 32.24 N ATOM 199 CA PHE A 12 -5.162 6.509 -0.300 1.00 34.20 C ATOM 200 C PHE A 12 -6.275 5.607 -0.824 1.00 11.41 C ATOM 201 O PHE A 12 -6.344 4.426 -0.484 1.00 53.51 O ATOM 202 CB PHE A 12 -5.528 7.033 1.091 1.00 1.45 C ATOM 203 CG PHE A 12 -4.396 7.737 1.782 1.00 54.53 C ATOM 204 CD1 PHE A 12 -3.145 7.149 1.868 1.00 34.44 C ATOM 205 CD2 PHE A 12 -4.583 8.988 2.349 1.00 62.01 C ATOM 206 CE1 PHE A 12 -2.101 7.794 2.504 1.00 14.22 C ATOM 207 CE2 PHE A 12 -3.544 9.639 2.985 1.00 14.15 C ATOM 208 CZ PHE A 12 -2.301 9.040 3.064 1.00 53.33 C ATOM 0 H PHE A 12 -5.269 8.520 -0.883 1.00 32.24 H new ATOM 0 HA PHE A 12 -4.246 5.923 -0.231 1.00 34.20 H new ATOM 0 HB2 PHE A 12 -6.371 7.718 1.002 1.00 1.45 H new ATOM 0 HB3 PHE A 12 -5.858 6.199 1.710 1.00 1.45 H new ATOM 0 HD1 PHE A 12 -2.983 6.174 1.433 1.00 34.44 H new ATOM 0 HD2 PHE A 12 -5.553 9.459 2.293 1.00 62.01 H new ATOM 0 HE1 PHE A 12 -1.130 7.324 2.563 1.00 14.22 H new ATOM 0 HE2 PHE A 12 -3.703 10.615 3.420 1.00 14.15 H new ATOM 0 HZ PHE A 12 -1.488 9.546 3.563 1.00 53.33 H new ATOM 218 N GLU A 13 -7.146 6.174 -1.655 1.00 12.04 N ATOM 219 CA GLU A 13 -8.257 5.421 -2.225 1.00 0.03 C ATOM 220 C GLU A 13 -7.751 4.208 -3.000 1.00 32.34 C ATOM 221 O GLU A 13 -8.350 3.134 -2.950 1.00 65.42 O ATOM 222 CB GLU A 13 -9.088 6.317 -3.146 1.00 70.41 C ATOM 223 CG GLU A 13 -10.587 6.176 -2.941 1.00 32.22 C ATOM 224 CD GLU A 13 -11.271 7.506 -2.693 1.00 24.25 C ATOM 225 OE1 GLU A 13 -11.542 8.225 -3.678 1.00 23.42 O ATOM 226 OE2 GLU A 13 -11.533 7.829 -1.517 1.00 52.30 O ATOM 0 H GLU A 13 -7.103 7.150 -1.947 1.00 12.04 H new ATOM 0 HA GLU A 13 -8.885 5.071 -1.405 1.00 0.03 H new ATOM 0 HB2 GLU A 13 -8.803 7.356 -2.982 1.00 70.41 H new ATOM 0 HB3 GLU A 13 -8.848 6.081 -4.183 1.00 70.41 H new ATOM 0 HG2 GLU A 13 -11.027 5.704 -3.820 1.00 32.22 H new ATOM 0 HG3 GLU A 13 -10.773 5.513 -2.096 1.00 32.22 H new ATOM 234 N GLU A 14 -6.645 4.387 -3.714 1.00 11.42 N ATOM 235 CA GLU A 14 -6.059 3.307 -4.499 1.00 44.41 C ATOM 236 C GLU A 14 -5.347 2.303 -3.599 1.00 13.34 C ATOM 237 O GLU A 14 -5.338 1.103 -3.874 1.00 74.23 O ATOM 238 CB GLU A 14 -5.077 3.870 -5.529 1.00 64.33 C ATOM 239 CG GLU A 14 -5.606 5.085 -6.274 1.00 55.52 C ATOM 240 CD GLU A 14 -5.018 5.219 -7.664 1.00 4.21 C ATOM 241 OE1 GLU A 14 -3.786 5.074 -7.803 1.00 4.14 O ATOM 242 OE2 GLU A 14 -5.790 5.469 -8.614 1.00 2.34 O ATOM 0 H GLU A 14 -6.136 5.270 -3.765 1.00 11.42 H new ATOM 0 HA GLU A 14 -6.867 2.793 -5.020 1.00 44.41 H new ATOM 0 HB2 GLU A 14 -4.149 4.139 -5.024 1.00 64.33 H new ATOM 0 HB3 GLU A 14 -4.833 3.090 -6.250 1.00 64.33 H new ATOM 0 HG2 GLU A 14 -6.691 5.017 -6.348 1.00 55.52 H new ATOM 0 HG3 GLU A 14 -5.381 5.984 -5.700 1.00 55.52 H new ATOM 250 N TRP A 15 -4.752 2.802 -2.522 1.00 13.54 N ATOM 251 CA TRP A 15 -4.036 1.949 -1.580 1.00 12.51 C ATOM 252 C TRP A 15 -4.925 0.812 -1.091 1.00 74.52 C ATOM 253 O TRP A 15 -4.521 -0.351 -1.090 1.00 12.15 O ATOM 254 CB TRP A 15 -3.540 2.773 -0.390 1.00 34.54 C ATOM 255 CG TRP A 15 -2.384 3.665 -0.725 1.00 41.33 C ATOM 256 CD1 TRP A 15 -2.067 4.167 -1.956 1.00 34.21 C ATOM 257 CD2 TRP A 15 -1.394 4.162 0.181 1.00 30.24 C ATOM 258 NE1 TRP A 15 -0.937 4.944 -1.868 1.00 73.44 N ATOM 259 CE2 TRP A 15 -0.505 4.958 -0.569 1.00 54.20 C ATOM 260 CE3 TRP A 15 -1.170 4.012 1.552 1.00 60.44 C ATOM 261 CZ2 TRP A 15 0.587 5.599 0.009 1.00 52.45 C ATOM 262 CZ3 TRP A 15 -0.086 4.650 2.124 1.00 31.01 C ATOM 263 CH2 TRP A 15 0.782 5.436 1.354 1.00 62.44 C ATOM 0 H TRP A 15 -4.751 3.793 -2.279 1.00 13.54 H new ATOM 0 HA TRP A 15 -3.179 1.518 -2.097 1.00 12.51 H new ATOM 0 HB2 TRP A 15 -4.361 3.382 -0.011 1.00 34.54 H new ATOM 0 HB3 TRP A 15 -3.247 2.097 0.414 1.00 34.54 H new ATOM 0 HD1 TRP A 15 -2.622 3.981 -2.863 1.00 34.21 H new ATOM 0 HE1 TRP A 15 -0.492 5.432 -2.645 1.00 73.44 H new ATOM 0 HE3 TRP A 15 -1.833 3.408 2.154 1.00 60.44 H new ATOM 0 HZ2 TRP A 15 1.257 6.204 -0.583 1.00 52.45 H new ATOM 0 HZ3 TRP A 15 0.096 4.541 3.183 1.00 31.01 H new ATOM 0 HH2 TRP A 15 1.620 5.922 1.831 1.00 62.44 H new ATOM 274 N LYS A 16 -6.141 1.153 -0.676 1.00 5.21 N ATOM 275 CA LYS A 16 -7.090 0.160 -0.187 1.00 20.13 C ATOM 276 C LYS A 16 -7.719 -0.609 -1.344 1.00 13.32 C ATOM 277 O LYS A 16 -8.181 -1.738 -1.175 1.00 65.30 O ATOM 278 CB LYS A 16 -8.183 0.836 0.644 1.00 74.50 C ATOM 279 CG LYS A 16 -9.327 -0.092 1.016 1.00 31.55 C ATOM 280 CD LYS A 16 -10.536 0.127 0.124 1.00 4.21 C ATOM 281 CE LYS A 16 -11.507 -1.041 0.201 1.00 32.41 C ATOM 282 NZ LYS A 16 -11.865 -1.371 1.608 1.00 53.05 N ATOM 0 H LYS A 16 -6.492 2.111 -0.669 1.00 5.21 H new ATOM 0 HA LYS A 16 -6.547 -0.546 0.442 1.00 20.13 H new ATOM 0 HB2 LYS A 16 -7.739 1.236 1.556 1.00 74.50 H new ATOM 0 HB3 LYS A 16 -8.581 1.683 0.085 1.00 74.50 H new ATOM 0 HG2 LYS A 16 -8.997 -1.128 0.935 1.00 31.55 H new ATOM 0 HG3 LYS A 16 -9.607 0.073 2.056 1.00 31.55 H new ATOM 0 HD2 LYS A 16 -11.045 1.044 0.419 1.00 4.21 H new ATOM 0 HD3 LYS A 16 -10.209 0.262 -0.907 1.00 4.21 H new ATOM 0 HE2 LYS A 16 -12.412 -0.799 -0.357 1.00 32.41 H new ATOM 0 HE3 LYS A 16 -11.063 -1.915 -0.276 1.00 32.41 H new ATOM 0 HZ1 LYS A 16 -12.662 -2.040 1.616 1.00 53.05 H new ATOM 0 HZ2 LYS A 16 -11.046 -1.802 2.082 1.00 53.05 H new ATOM 0 HZ3 LYS A 16 -12.138 -0.502 2.110 1.00 53.05 H new ATOM 296 N LYS A 17 -7.734 0.009 -2.520 1.00 30.12 N ATOM 297 CA LYS A 17 -8.303 -0.617 -3.707 1.00 32.43 C ATOM 298 C LYS A 17 -7.429 -1.772 -4.186 1.00 3.23 C ATOM 299 O LYS A 17 -7.924 -2.862 -4.476 1.00 11.51 O ATOM 300 CB LYS A 17 -8.463 0.413 -4.827 1.00 12.50 C ATOM 301 CG LYS A 17 -9.865 0.468 -5.408 1.00 32.00 C ATOM 302 CD LYS A 17 -10.475 1.852 -5.265 1.00 4.43 C ATOM 303 CE LYS A 17 -11.985 1.817 -5.441 1.00 32.23 C ATOM 304 NZ LYS A 17 -12.382 2.010 -6.863 1.00 32.30 N ATOM 0 H LYS A 17 -7.358 0.944 -2.676 1.00 30.12 H new ATOM 0 HA LYS A 17 -9.284 -1.012 -3.442 1.00 32.43 H new ATOM 0 HB2 LYS A 17 -8.199 1.398 -4.443 1.00 12.50 H new ATOM 0 HB3 LYS A 17 -7.757 0.182 -5.625 1.00 12.50 H new ATOM 0 HG2 LYS A 17 -9.834 0.190 -6.462 1.00 32.00 H new ATOM 0 HG3 LYS A 17 -10.497 -0.263 -4.904 1.00 32.00 H new ATOM 0 HD2 LYS A 17 -10.232 2.258 -4.283 1.00 4.43 H new ATOM 0 HD3 LYS A 17 -10.037 2.522 -6.005 1.00 4.43 H new ATOM 0 HE2 LYS A 17 -12.370 0.862 -5.083 1.00 32.23 H new ATOM 0 HE3 LYS A 17 -12.440 2.595 -4.828 1.00 32.23 H new ATOM 0 HZ1 LYS A 17 -13.419 1.980 -6.941 1.00 32.30 H new ATOM 0 HZ2 LYS A 17 -12.036 2.932 -7.198 1.00 32.30 H new ATOM 0 HZ3 LYS A 17 -11.969 1.253 -7.445 1.00 32.30 H new ATOM 318 N LEU A 18 -6.125 -1.527 -4.266 1.00 35.15 N ATOM 319 CA LEU A 18 -5.180 -2.547 -4.708 1.00 35.11 C ATOM 320 C LEU A 18 -5.295 -3.803 -3.851 1.00 3.24 C ATOM 321 O LEU A 18 -5.095 -4.917 -4.335 1.00 75.12 O ATOM 322 CB LEU A 18 -3.751 -2.005 -4.651 1.00 1.13 C ATOM 323 CG LEU A 18 -3.427 -0.863 -5.614 1.00 23.32 C ATOM 324 CD1 LEU A 18 -2.553 0.179 -4.933 1.00 1.03 C ATOM 325 CD2 LEU A 18 -2.746 -1.398 -6.865 1.00 25.22 C ATOM 0 H LEU A 18 -5.698 -0.631 -4.031 1.00 35.15 H new ATOM 0 HA LEU A 18 -5.421 -2.809 -5.738 1.00 35.11 H new ATOM 0 HB2 LEU A 18 -3.554 -1.664 -3.635 1.00 1.13 H new ATOM 0 HB3 LEU A 18 -3.064 -2.827 -4.850 1.00 1.13 H new ATOM 0 HG LEU A 18 -4.362 -0.386 -5.909 1.00 23.32 H new ATOM 0 HD11 LEU A 18 -2.333 0.984 -5.634 1.00 1.03 H new ATOM 0 HD12 LEU A 18 -3.078 0.585 -4.068 1.00 1.03 H new ATOM 0 HD13 LEU A 18 -1.621 -0.284 -4.608 1.00 1.03 H new ATOM 0 HD21 LEU A 18 -2.523 -0.571 -7.539 1.00 25.22 H new ATOM 0 HD22 LEU A 18 -1.819 -1.901 -6.588 1.00 25.22 H new ATOM 0 HD23 LEU A 18 -3.407 -2.106 -7.365 1.00 25.22 H new ATOM 337 N ALA A 19 -5.619 -3.616 -2.576 1.00 1.02 N ATOM 338 CA ALA A 19 -5.765 -4.734 -1.652 1.00 25.22 C ATOM 339 C ALA A 19 -7.005 -5.558 -1.978 1.00 65.13 C ATOM 340 O ALA A 19 -7.108 -6.722 -1.591 1.00 70.15 O ATOM 341 CB ALA A 19 -5.826 -4.230 -0.218 1.00 24.14 C ATOM 0 H ALA A 19 -5.786 -2.700 -2.159 1.00 1.02 H new ATOM 0 HA ALA A 19 -4.893 -5.379 -1.762 1.00 25.22 H new ATOM 0 HB1 ALA A 19 -5.935 -5.076 0.461 1.00 24.14 H new ATOM 0 HB2 ALA A 19 -4.908 -3.692 0.018 1.00 24.14 H new ATOM 0 HB3 ALA A 19 -6.679 -3.561 -0.104 1.00 24.14 H new ATOM 347 N GLU A 20 -7.945 -4.946 -2.692 1.00 70.41 N ATOM 348 CA GLU A 20 -9.180 -5.624 -3.068 1.00 41.03 C ATOM 349 C GLU A 20 -8.902 -6.753 -4.058 1.00 50.11 C ATOM 350 O GLU A 20 -9.366 -7.877 -3.877 1.00 25.35 O ATOM 351 CB GLU A 20 -10.169 -4.629 -3.678 1.00 61.10 C ATOM 352 CG GLU A 20 -10.377 -3.382 -2.835 1.00 13.03 C ATOM 353 CD GLU A 20 -11.385 -2.427 -3.443 1.00 24.21 C ATOM 354 OE1 GLU A 20 -11.643 -1.369 -2.832 1.00 3.31 O ATOM 355 OE2 GLU A 20 -11.918 -2.738 -4.529 1.00 5.33 O ATOM 0 H GLU A 20 -7.875 -3.983 -3.021 1.00 70.41 H new ATOM 0 HA GLU A 20 -9.617 -6.054 -2.167 1.00 41.03 H new ATOM 0 HB2 GLU A 20 -9.813 -4.335 -4.665 1.00 61.10 H new ATOM 0 HB3 GLU A 20 -11.129 -5.125 -3.821 1.00 61.10 H new ATOM 0 HG2 GLU A 20 -10.713 -3.673 -1.840 1.00 13.03 H new ATOM 0 HG3 GLU A 20 -9.424 -2.868 -2.712 1.00 13.03 H new ATOM 363 N GLU A 21 -8.142 -6.441 -5.103 1.00 24.23 N ATOM 364 CA GLU A 21 -7.803 -7.428 -6.121 1.00 41.40 C ATOM 365 C GLU A 21 -6.814 -8.454 -5.577 1.00 20.23 C ATOM 366 O GLU A 21 -6.832 -9.619 -5.972 1.00 3.24 O ATOM 367 CB GLU A 21 -7.214 -6.740 -7.354 1.00 43.04 C ATOM 368 CG GLU A 21 -8.076 -5.608 -7.891 1.00 34.12 C ATOM 369 CD GLU A 21 -8.666 -5.919 -9.252 1.00 1.24 C ATOM 370 OE1 GLU A 21 -9.326 -6.970 -9.387 1.00 35.55 O ATOM 371 OE2 GLU A 21 -8.467 -5.112 -10.184 1.00 0.35 O ATOM 0 H GLU A 21 -7.750 -5.514 -5.267 1.00 24.23 H new ATOM 0 HA GLU A 21 -8.718 -7.947 -6.406 1.00 41.40 H new ATOM 0 HB2 GLU A 21 -6.228 -6.348 -7.104 1.00 43.04 H new ATOM 0 HB3 GLU A 21 -7.072 -7.482 -8.140 1.00 43.04 H new ATOM 0 HG2 GLU A 21 -8.883 -5.406 -7.187 1.00 34.12 H new ATOM 0 HG3 GLU A 21 -7.476 -4.700 -7.958 1.00 34.12 H new ATOM 379 N ALA A 22 -5.952 -8.011 -4.667 1.00 21.32 N ATOM 380 CA ALA A 22 -4.956 -8.890 -4.066 1.00 61.35 C ATOM 381 C ALA A 22 -5.589 -9.807 -3.026 1.00 70.41 C ATOM 382 O ALA A 22 -5.159 -10.946 -2.844 1.00 52.03 O ATOM 383 CB ALA A 22 -3.838 -8.070 -3.440 1.00 62.50 C ATOM 0 H ALA A 22 -5.923 -7.049 -4.330 1.00 21.32 H new ATOM 0 HA ALA A 22 -4.536 -9.515 -4.854 1.00 61.35 H new ATOM 0 HB1 ALA A 22 -3.101 -8.739 -2.995 1.00 62.50 H new ATOM 0 HB2 ALA A 22 -3.359 -7.462 -4.208 1.00 62.50 H new ATOM 0 HB3 ALA A 22 -4.251 -7.421 -2.668 1.00 62.50 H new ATOM 389 N ALA A 23 -6.613 -9.303 -2.344 1.00 71.24 N ATOM 390 CA ALA A 23 -7.306 -10.078 -1.323 1.00 54.25 C ATOM 391 C ALA A 23 -8.133 -11.195 -1.948 1.00 74.22 C ATOM 392 O ALA A 23 -8.038 -12.354 -1.543 1.00 2.32 O ATOM 393 CB ALA A 23 -8.192 -9.170 -0.482 1.00 12.24 C ATOM 0 H ALA A 23 -6.980 -8.361 -2.481 1.00 71.24 H new ATOM 0 HA ALA A 23 -6.556 -10.535 -0.678 1.00 54.25 H new ATOM 0 HB1 ALA A 23 -8.704 -9.762 0.277 1.00 12.24 H new ATOM 0 HB2 ALA A 23 -7.579 -8.411 0.003 1.00 12.24 H new ATOM 0 HB3 ALA A 23 -8.929 -8.686 -1.123 1.00 12.24 H new ATOM 399 N LYS A 24 -8.948 -10.841 -2.936 1.00 4.15 N ATOM 400 CA LYS A 24 -9.792 -11.814 -3.619 1.00 43.13 C ATOM 401 C LYS A 24 -8.947 -12.875 -4.315 1.00 35.41 C ATOM 402 O LYS A 24 -9.309 -14.053 -4.341 1.00 10.44 O ATOM 403 CB LYS A 24 -10.690 -11.112 -4.640 1.00 42.22 C ATOM 404 CG LYS A 24 -9.924 -10.276 -5.652 1.00 15.01 C ATOM 405 CD LYS A 24 -9.722 -11.028 -6.956 1.00 43.05 C ATOM 406 CE LYS A 24 -11.019 -11.133 -7.746 1.00 0.53 C ATOM 407 NZ LYS A 24 -10.849 -10.678 -9.153 1.00 24.12 N ATOM 0 H LYS A 24 -9.042 -9.886 -3.282 1.00 4.15 H new ATOM 0 HA LYS A 24 -10.415 -12.305 -2.871 1.00 43.13 H new ATOM 0 HB2 LYS A 24 -11.277 -11.861 -5.171 1.00 42.22 H new ATOM 0 HB3 LYS A 24 -11.395 -10.471 -4.111 1.00 42.22 H new ATOM 0 HG2 LYS A 24 -10.466 -9.350 -5.845 1.00 15.01 H new ATOM 0 HG3 LYS A 24 -8.955 -9.998 -5.237 1.00 15.01 H new ATOM 0 HD2 LYS A 24 -8.969 -10.520 -7.558 1.00 43.05 H new ATOM 0 HD3 LYS A 24 -9.341 -12.027 -6.746 1.00 43.05 H new ATOM 0 HE2 LYS A 24 -11.367 -12.166 -7.738 1.00 0.53 H new ATOM 0 HE3 LYS A 24 -11.789 -10.534 -7.261 1.00 0.53 H new ATOM 0 HZ1 LYS A 24 -11.754 -10.765 -9.658 1.00 24.12 H new ATOM 0 HZ2 LYS A 24 -10.542 -9.684 -9.162 1.00 24.12 H new ATOM 0 HZ3 LYS A 24 -10.132 -11.266 -9.624 1.00 24.12 H new ATOM 421 N LEU A 25 -7.819 -12.453 -4.875 1.00 43.23 N ATOM 422 CA LEU A 25 -6.920 -13.368 -5.570 1.00 71.42 C ATOM 423 C LEU A 25 -6.111 -14.196 -4.576 1.00 42.13 C ATOM 424 O LEU A 25 -5.876 -15.386 -4.789 1.00 10.04 O ATOM 425 CB LEU A 25 -5.979 -12.590 -6.490 1.00 30.22 C ATOM 426 CG LEU A 25 -6.493 -12.320 -7.904 1.00 44.32 C ATOM 427 CD1 LEU A 25 -5.452 -11.565 -8.716 1.00 21.41 C ATOM 428 CD2 LEU A 25 -6.867 -13.624 -8.594 1.00 72.41 C ATOM 0 H LEU A 25 -7.505 -11.483 -4.862 1.00 43.23 H new ATOM 0 HA LEU A 25 -7.525 -14.046 -6.171 1.00 71.42 H new ATOM 0 HB2 LEU A 25 -5.752 -11.634 -6.019 1.00 30.22 H new ATOM 0 HB3 LEU A 25 -5.041 -13.139 -6.565 1.00 30.22 H new ATOM 0 HG LEU A 25 -7.387 -11.701 -7.832 1.00 44.32 H new ATOM 0 HD11 LEU A 25 -5.836 -11.382 -9.720 1.00 21.41 H new ATOM 0 HD12 LEU A 25 -5.233 -10.613 -8.232 1.00 21.41 H new ATOM 0 HD13 LEU A 25 -4.540 -12.158 -8.779 1.00 21.41 H new ATOM 0 HD21 LEU A 25 -7.231 -13.412 -9.599 1.00 72.41 H new ATOM 0 HD22 LEU A 25 -5.990 -14.269 -8.654 1.00 72.41 H new ATOM 0 HD23 LEU A 25 -7.648 -14.126 -8.024 1.00 72.41 H new ATOM 440 N LEU A 26 -5.690 -13.558 -3.489 1.00 22.20 N ATOM 441 CA LEU A 26 -4.908 -14.236 -2.461 1.00 13.50 C ATOM 442 C LEU A 26 -5.584 -15.534 -2.030 1.00 52.01 C ATOM 443 O LEU A 26 -4.927 -16.562 -1.869 1.00 61.32 O ATOM 444 CB LEU A 26 -4.719 -13.319 -1.250 1.00 62.35 C ATOM 445 CG LEU A 26 -3.384 -12.577 -1.172 1.00 63.42 C ATOM 446 CD1 LEU A 26 -3.518 -11.328 -0.315 1.00 2.21 C ATOM 447 CD2 LEU A 26 -2.298 -13.489 -0.623 1.00 11.33 C ATOM 0 H LEU A 26 -5.877 -12.574 -3.297 1.00 22.20 H new ATOM 0 HA LEU A 26 -3.932 -14.479 -2.882 1.00 13.50 H new ATOM 0 HB2 LEU A 26 -5.522 -12.582 -1.249 1.00 62.35 H new ATOM 0 HB3 LEU A 26 -4.833 -13.917 -0.346 1.00 62.35 H new ATOM 0 HG LEU A 26 -3.099 -12.273 -2.179 1.00 63.42 H new ATOM 0 HD11 LEU A 26 -2.559 -10.813 -0.271 1.00 2.21 H new ATOM 0 HD12 LEU A 26 -4.266 -10.666 -0.751 1.00 2.21 H new ATOM 0 HD13 LEU A 26 -3.826 -11.609 0.692 1.00 2.21 H new ATOM 0 HD21 LEU A 26 -1.355 -12.944 -0.575 1.00 11.33 H new ATOM 0 HD22 LEU A 26 -2.575 -13.824 0.377 1.00 11.33 H new ATOM 0 HD23 LEU A 26 -2.184 -14.354 -1.277 1.00 11.33 H new ATOM 459 N GLU A 27 -6.900 -15.477 -1.845 1.00 0.25 N ATOM 460 CA GLU A 27 -7.663 -16.649 -1.434 1.00 30.53 C ATOM 461 C GLU A 27 -8.392 -17.269 -2.623 1.00 4.14 C ATOM 462 O GLU A 27 -9.267 -18.115 -2.457 1.00 73.44 O ATOM 463 CB GLU A 27 -8.670 -16.273 -0.346 1.00 53.12 C ATOM 464 CG GLU A 27 -8.085 -15.395 0.747 1.00 13.13 C ATOM 465 CD GLU A 27 -8.735 -15.633 2.097 1.00 4.52 C ATOM 466 OE1 GLU A 27 -8.021 -15.560 3.120 1.00 42.00 O ATOM 467 OE2 GLU A 27 -9.956 -15.891 2.131 1.00 23.13 O ATOM 0 H GLU A 27 -7.458 -14.633 -1.973 1.00 0.25 H new ATOM 0 HA GLU A 27 -6.964 -17.384 -1.035 1.00 30.53 H new ATOM 0 HB2 GLU A 27 -9.512 -15.755 -0.805 1.00 53.12 H new ATOM 0 HB3 GLU A 27 -9.064 -17.185 0.104 1.00 53.12 H new ATOM 0 HG2 GLU A 27 -7.014 -15.583 0.825 1.00 13.13 H new ATOM 0 HG3 GLU A 27 -8.205 -14.348 0.470 1.00 13.13 H new ATOM 475 N GLY A 28 -8.021 -16.839 -3.826 1.00 70.22 N ATOM 476 CA GLY A 28 -8.648 -17.360 -5.027 1.00 34.41 C ATOM 477 C GLY A 28 -8.549 -18.870 -5.124 1.00 11.30 C ATOM 478 O GLY A 28 -9.282 -19.499 -5.885 1.00 31.41 O ATOM 0 H GLY A 28 -7.297 -16.139 -3.990 1.00 70.22 H new ATOM 0 HA2 GLY A 28 -9.697 -17.066 -5.042 1.00 34.41 H new ATOM 0 HA3 GLY A 28 -8.179 -16.911 -5.902 1.00 34.41 H new ATOM 482 N GLY A 29 -7.637 -19.452 -4.350 1.00 21.42 N ATOM 483 CA GLY A 29 -7.459 -20.893 -4.369 1.00 45.12 C ATOM 484 C GLY A 29 -6.013 -21.301 -4.168 1.00 74.05 C ATOM 485 O GLY A 29 -5.534 -22.242 -4.797 1.00 4.14 O ATOM 0 H GLY A 29 -7.019 -18.952 -3.711 1.00 21.42 H new ATOM 0 HA2 GLY A 29 -8.072 -21.342 -3.588 1.00 45.12 H new ATOM 0 HA3 GLY A 29 -7.816 -21.288 -5.320 1.00 45.12 H new ATOM 489 N GLY A 30 -5.317 -20.590 -3.286 1.00 2.55 N ATOM 490 CA GLY A 30 -3.924 -20.898 -3.020 1.00 73.10 C ATOM 491 C GLY A 30 -3.588 -20.834 -1.543 1.00 20.51 C ATOM 492 O GLY A 30 -3.282 -21.853 -0.925 1.00 70.21 O ATOM 0 H GLY A 30 -5.693 -19.807 -2.751 1.00 2.55 H new ATOM 0 HA2 GLY A 30 -3.697 -21.895 -3.398 1.00 73.10 H new ATOM 0 HA3 GLY A 30 -3.290 -20.198 -3.564 1.00 73.10 H new ATOM 496 N GLY A 31 -3.642 -19.633 -0.976 1.00 23.42 N ATOM 497 CA GLY A 31 -3.337 -19.463 0.432 1.00 21.45 C ATOM 498 C GLY A 31 -2.167 -18.528 0.663 1.00 52.31 C ATOM 499 O GLY A 31 -2.282 -17.549 1.400 1.00 31.41 O ATOM 0 H GLY A 31 -3.892 -18.774 -1.467 1.00 23.42 H new ATOM 0 HA2 GLY A 31 -4.216 -19.074 0.947 1.00 21.45 H new ATOM 0 HA3 GLY A 31 -3.114 -20.435 0.872 1.00 21.45 H new ATOM 503 N GLY A 32 -1.036 -18.830 0.032 1.00 54.25 N ATOM 504 CA GLY A 32 0.144 -17.999 0.187 1.00 2.23 C ATOM 505 C GLY A 32 0.498 -17.760 1.642 1.00 63.03 C ATOM 506 O GLY A 32 -0.086 -18.367 2.538 1.00 43.25 O ATOM 0 H GLY A 32 -0.916 -19.635 -0.583 1.00 54.25 H new ATOM 0 HA2 GLY A 32 0.987 -18.473 -0.316 1.00 2.23 H new ATOM 0 HA3 GLY A 32 -0.023 -17.041 -0.305 1.00 2.23 H new ATOM 510 N GLY A 33 1.460 -16.873 1.877 1.00 23.22 N ATOM 511 CA GLY A 33 1.876 -16.572 3.234 1.00 50.51 C ATOM 512 C GLY A 33 3.325 -16.935 3.490 1.00 34.13 C ATOM 513 O GLY A 33 4.222 -16.118 3.291 1.00 1.23 O ATOM 0 H GLY A 33 1.959 -16.358 1.152 1.00 23.22 H new ATOM 0 HA2 GLY A 33 1.731 -15.509 3.428 1.00 50.51 H new ATOM 0 HA3 GLY A 33 1.240 -17.113 3.934 1.00 50.51 H new ATOM 517 N GLY A 34 3.554 -18.167 3.936 1.00 52.02 N ATOM 518 CA GLY A 34 4.906 -18.616 4.215 1.00 52.44 C ATOM 519 C GLY A 34 5.538 -17.866 5.372 1.00 24.34 C ATOM 520 O GLY A 34 6.761 -17.838 5.508 1.00 71.22 O ATOM 0 H GLY A 34 2.828 -18.862 4.109 1.00 52.02 H new ATOM 0 HA2 GLY A 34 4.892 -19.682 4.441 1.00 52.44 H new ATOM 0 HA3 GLY A 34 5.520 -18.487 3.324 1.00 52.44 H new ATOM 524 N GLY A 35 4.703 -17.255 6.206 1.00 71.24 N ATOM 525 CA GLY A 35 5.206 -16.509 7.345 1.00 45.24 C ATOM 526 C GLY A 35 4.327 -15.325 7.696 1.00 50.44 C ATOM 527 O GLY A 35 3.106 -15.390 7.563 1.00 42.13 O ATOM 0 H GLY A 35 3.687 -17.263 6.114 1.00 71.24 H new ATOM 0 HA2 GLY A 35 5.278 -17.172 8.207 1.00 45.24 H new ATOM 0 HA3 GLY A 35 6.215 -16.157 7.128 1.00 45.24 H new ATOM 531 N GLU A 36 4.949 -14.241 8.148 1.00 14.42 N ATOM 532 CA GLU A 36 4.214 -13.038 8.522 1.00 32.12 C ATOM 533 C GLU A 36 3.736 -12.285 7.284 1.00 2.34 C ATOM 534 O GLU A 36 2.936 -11.354 7.379 1.00 34.11 O ATOM 535 CB GLU A 36 5.089 -12.124 9.382 1.00 5.13 C ATOM 536 CG GLU A 36 6.125 -11.348 8.586 1.00 61.23 C ATOM 537 CD GLU A 36 7.475 -11.299 9.275 1.00 71.33 C ATOM 538 OE1 GLU A 36 8.033 -12.379 9.560 1.00 35.43 O ATOM 539 OE2 GLU A 36 7.973 -10.182 9.528 1.00 71.40 O ATOM 0 H GLU A 36 5.960 -14.171 8.264 1.00 14.42 H new ATOM 0 HA GLU A 36 3.342 -13.342 9.100 1.00 32.12 H new ATOM 0 HB2 GLU A 36 4.450 -11.420 9.915 1.00 5.13 H new ATOM 0 HB3 GLU A 36 5.598 -12.726 10.135 1.00 5.13 H new ATOM 0 HG2 GLU A 36 6.240 -11.805 7.603 1.00 61.23 H new ATOM 0 HG3 GLU A 36 5.767 -10.331 8.425 1.00 61.23 H new ATOM 547 N LEU A 37 4.233 -12.695 6.122 1.00 4.40 N ATOM 548 CA LEU A 37 3.859 -12.059 4.863 1.00 52.12 C ATOM 549 C LEU A 37 2.343 -11.964 4.731 1.00 75.50 C ATOM 550 O LEU A 37 1.797 -10.889 4.482 1.00 31.41 O ATOM 551 CB LEU A 37 4.437 -12.841 3.682 1.00 1.15 C ATOM 552 CG LEU A 37 3.884 -12.481 2.303 1.00 2.12 C ATOM 553 CD1 LEU A 37 5.002 -12.008 1.386 1.00 32.43 C ATOM 554 CD2 LEU A 37 3.158 -13.671 1.693 1.00 53.33 C ATOM 0 H LEU A 37 4.896 -13.464 6.025 1.00 4.40 H new ATOM 0 HA LEU A 37 4.270 -11.049 4.858 1.00 52.12 H new ATOM 0 HB2 LEU A 37 5.517 -12.693 3.668 1.00 1.15 H new ATOM 0 HB3 LEU A 37 4.263 -13.903 3.855 1.00 1.15 H new ATOM 0 HG LEU A 37 3.170 -11.666 2.420 1.00 2.12 H new ATOM 0 HD11 LEU A 37 4.589 -11.756 0.409 1.00 32.43 H new ATOM 0 HD12 LEU A 37 5.478 -11.127 1.817 1.00 32.43 H new ATOM 0 HD13 LEU A 37 5.741 -12.801 1.274 1.00 32.43 H new ATOM 0 HD21 LEU A 37 2.771 -13.397 0.712 1.00 53.33 H new ATOM 0 HD22 LEU A 37 3.851 -14.506 1.589 1.00 53.33 H new ATOM 0 HD23 LEU A 37 2.331 -13.964 2.340 1.00 53.33 H new ATOM 566 N MET A 38 1.668 -13.097 4.901 1.00 55.24 N ATOM 567 CA MET A 38 0.213 -13.141 4.804 1.00 52.43 C ATOM 568 C MET A 38 -0.425 -12.100 5.719 1.00 41.51 C ATOM 569 O MET A 38 -1.381 -11.424 5.337 1.00 12.22 O ATOM 570 CB MET A 38 -0.302 -14.536 5.163 1.00 11.13 C ATOM 571 CG MET A 38 -1.809 -14.598 5.350 1.00 55.34 C ATOM 572 SD MET A 38 -2.387 -16.248 5.789 1.00 12.54 S ATOM 573 CE MET A 38 -2.073 -17.134 4.265 1.00 2.32 C ATOM 0 H MET A 38 2.105 -13.996 5.106 1.00 55.24 H new ATOM 0 HA MET A 38 -0.064 -12.913 3.775 1.00 52.43 H new ATOM 0 HB2 MET A 38 -0.013 -15.234 4.378 1.00 11.13 H new ATOM 0 HB3 MET A 38 0.184 -14.869 6.080 1.00 11.13 H new ATOM 0 HG2 MET A 38 -2.104 -13.895 6.129 1.00 55.34 H new ATOM 0 HG3 MET A 38 -2.299 -14.278 4.430 1.00 55.34 H new ATOM 0 HE1 MET A 38 -3.007 -17.550 3.887 1.00 2.32 H new ATOM 0 HE2 MET A 38 -1.655 -16.450 3.526 1.00 2.32 H new ATOM 0 HE3 MET A 38 -1.365 -17.942 4.453 1.00 2.32 H new ATOM 583 N LYS A 39 0.110 -11.975 6.929 1.00 52.43 N ATOM 584 CA LYS A 39 -0.405 -11.016 7.899 1.00 1.12 C ATOM 585 C LYS A 39 -0.104 -9.585 7.463 1.00 21.13 C ATOM 586 O LYS A 39 -0.834 -8.654 7.804 1.00 52.22 O ATOM 587 CB LYS A 39 0.202 -11.278 9.278 1.00 51.23 C ATOM 588 CG LYS A 39 -0.094 -10.186 10.292 1.00 64.52 C ATOM 589 CD LYS A 39 1.121 -9.307 10.536 1.00 43.24 C ATOM 590 CE LYS A 39 1.146 -8.775 11.961 1.00 24.30 C ATOM 591 NZ LYS A 39 1.972 -9.632 12.856 1.00 54.53 N ATOM 0 H LYS A 39 0.901 -12.527 7.261 1.00 52.43 H new ATOM 0 HA LYS A 39 -1.486 -11.140 7.955 1.00 1.12 H new ATOM 0 HB2 LYS A 39 -0.177 -12.227 9.658 1.00 51.23 H new ATOM 0 HB3 LYS A 39 1.282 -11.384 9.176 1.00 51.23 H new ATOM 0 HG2 LYS A 39 -0.922 -9.573 9.936 1.00 64.52 H new ATOM 0 HG3 LYS A 39 -0.412 -10.637 11.232 1.00 64.52 H new ATOM 0 HD2 LYS A 39 2.029 -9.878 10.344 1.00 43.24 H new ATOM 0 HD3 LYS A 39 1.115 -8.472 9.835 1.00 43.24 H new ATOM 0 HE2 LYS A 39 1.542 -7.759 11.963 1.00 24.30 H new ATOM 0 HE3 LYS A 39 0.128 -8.721 12.347 1.00 24.30 H new ATOM 0 HZ1 LYS A 39 1.965 -9.237 13.818 1.00 54.53 H new ATOM 0 HZ2 LYS A 39 1.580 -10.595 12.874 1.00 54.53 H new ATOM 0 HZ3 LYS A 39 2.949 -9.663 12.502 1.00 54.53 H new ATOM 605 N LEU A 40 0.975 -9.417 6.706 1.00 24.40 N ATOM 606 CA LEU A 40 1.372 -8.101 6.221 1.00 5.43 C ATOM 607 C LEU A 40 0.452 -7.633 5.097 1.00 0.33 C ATOM 608 O LEU A 40 0.218 -6.435 4.930 1.00 0.14 O ATOM 609 CB LEU A 40 2.821 -8.131 5.729 1.00 35.31 C ATOM 610 CG LEU A 40 3.898 -8.023 6.810 1.00 70.53 C ATOM 611 CD1 LEU A 40 5.264 -8.367 6.236 1.00 1.25 C ATOM 612 CD2 LEU A 40 3.907 -6.629 7.416 1.00 52.52 C ATOM 0 H LEU A 40 1.590 -10.177 6.415 1.00 24.40 H new ATOM 0 HA LEU A 40 1.290 -7.398 7.050 1.00 5.43 H new ATOM 0 HB2 LEU A 40 2.978 -9.059 5.179 1.00 35.31 H new ATOM 0 HB3 LEU A 40 2.961 -7.314 5.022 1.00 35.31 H new ATOM 0 HG LEU A 40 3.668 -8.738 7.600 1.00 70.53 H new ATOM 0 HD11 LEU A 40 6.019 -8.285 7.018 1.00 1.25 H new ATOM 0 HD12 LEU A 40 5.250 -9.386 5.850 1.00 1.25 H new ATOM 0 HD13 LEU A 40 5.503 -7.676 5.427 1.00 1.25 H new ATOM 0 HD21 LEU A 40 4.679 -6.571 8.183 1.00 52.52 H new ATOM 0 HD22 LEU A 40 4.113 -5.895 6.637 1.00 52.52 H new ATOM 0 HD23 LEU A 40 2.935 -6.420 7.863 1.00 52.52 H new ATOM 624 N CYS A 41 -0.069 -8.585 4.332 1.00 21.34 N ATOM 625 CA CYS A 41 -0.965 -8.272 3.224 1.00 41.30 C ATOM 626 C CYS A 41 -2.233 -7.591 3.728 1.00 71.54 C ATOM 627 O CYS A 41 -2.785 -6.715 3.062 1.00 12.21 O ATOM 628 CB CYS A 41 -1.324 -9.545 2.456 1.00 41.44 C ATOM 629 SG CYS A 41 0.106 -10.509 1.915 1.00 71.22 S ATOM 0 H CYS A 41 0.113 -9.581 4.458 1.00 21.34 H new ATOM 0 HA CYS A 41 -0.449 -7.586 2.552 1.00 41.30 H new ATOM 0 HB2 CYS A 41 -1.953 -10.172 3.087 1.00 41.44 H new ATOM 0 HB3 CYS A 41 -1.918 -9.274 1.583 1.00 41.44 H new ATOM 0 HG CYS A 41 0.892 -10.726 2.928 1.00 71.22 H new ATOM 635 N GLU A 42 -2.691 -8.002 4.906 1.00 75.12 N ATOM 636 CA GLU A 42 -3.897 -7.434 5.497 1.00 3.30 C ATOM 637 C GLU A 42 -3.639 -6.018 6.005 1.00 13.33 C ATOM 638 O GLU A 42 -4.539 -5.179 6.022 1.00 3.03 O ATOM 639 CB GLU A 42 -4.395 -8.316 6.644 1.00 53.44 C ATOM 640 CG GLU A 42 -5.908 -8.452 6.695 1.00 4.22 C ATOM 641 CD GLU A 42 -6.534 -7.596 7.778 1.00 11.51 C ATOM 642 OE1 GLU A 42 -6.328 -7.904 8.971 1.00 2.34 O ATOM 643 OE2 GLU A 42 -7.231 -6.618 7.434 1.00 51.21 O ATOM 0 H GLU A 42 -2.245 -8.726 5.470 1.00 75.12 H new ATOM 0 HA GLU A 42 -4.663 -7.390 4.723 1.00 3.30 H new ATOM 0 HB2 GLU A 42 -3.953 -9.307 6.547 1.00 53.44 H new ATOM 0 HB3 GLU A 42 -4.044 -7.901 7.589 1.00 53.44 H new ATOM 0 HG2 GLU A 42 -6.327 -8.172 5.728 1.00 4.22 H new ATOM 0 HG3 GLU A 42 -6.170 -9.496 6.866 1.00 4.22 H new ATOM 651 N GLU A 43 -2.401 -5.761 6.420 1.00 21.21 N ATOM 652 CA GLU A 43 -2.024 -4.448 6.929 1.00 54.23 C ATOM 653 C GLU A 43 -2.256 -3.368 5.877 1.00 23.31 C ATOM 654 O GLU A 43 -2.606 -2.234 6.202 1.00 31.45 O ATOM 655 CB GLU A 43 -0.557 -4.446 7.363 1.00 75.41 C ATOM 656 CG GLU A 43 -0.258 -5.407 8.501 1.00 13.33 C ATOM 657 CD GLU A 43 -0.045 -4.695 9.824 1.00 72.35 C ATOM 658 OE1 GLU A 43 -0.493 -5.227 10.862 1.00 23.22 O ATOM 659 OE2 GLU A 43 0.567 -3.607 9.821 1.00 32.01 O ATOM 0 H GLU A 43 -1.644 -6.444 6.413 1.00 21.21 H new ATOM 0 HA GLU A 43 -2.651 -4.229 7.793 1.00 54.23 H new ATOM 0 HB2 GLU A 43 0.067 -4.704 6.507 1.00 75.41 H new ATOM 0 HB3 GLU A 43 -0.278 -3.437 7.668 1.00 75.41 H new ATOM 0 HG2 GLU A 43 -1.082 -6.114 8.601 1.00 13.33 H new ATOM 0 HG3 GLU A 43 0.632 -5.987 8.257 1.00 13.33 H new ATOM 667 N ALA A 44 -2.058 -3.730 4.613 1.00 42.04 N ATOM 668 CA ALA A 44 -2.247 -2.794 3.512 1.00 51.34 C ATOM 669 C ALA A 44 -3.611 -2.118 3.593 1.00 71.51 C ATOM 670 O ALA A 44 -3.732 -0.913 3.376 1.00 71.12 O ATOM 671 CB ALA A 44 -2.088 -3.509 2.178 1.00 71.10 C ATOM 0 H ALA A 44 -1.767 -4.665 4.327 1.00 42.04 H new ATOM 0 HA ALA A 44 -1.483 -2.021 3.591 1.00 51.34 H new ATOM 0 HB1 ALA A 44 -2.232 -2.798 1.365 1.00 71.10 H new ATOM 0 HB2 ALA A 44 -1.088 -3.938 2.112 1.00 71.10 H new ATOM 0 HB3 ALA A 44 -2.830 -4.304 2.100 1.00 71.10 H new ATOM 677 N ALA A 45 -4.637 -2.903 3.907 1.00 63.20 N ATOM 678 CA ALA A 45 -5.994 -2.381 4.017 1.00 22.01 C ATOM 679 C ALA A 45 -6.174 -1.591 5.309 1.00 13.20 C ATOM 680 O ALA A 45 -7.057 -0.741 5.412 1.00 71.24 O ATOM 681 CB ALA A 45 -7.004 -3.515 3.945 1.00 25.20 C ATOM 0 H ALA A 45 -4.554 -3.903 4.090 1.00 63.20 H new ATOM 0 HA ALA A 45 -6.165 -1.704 3.180 1.00 22.01 H new ATOM 0 HB1 ALA A 45 -8.012 -3.110 4.029 1.00 25.20 H new ATOM 0 HB2 ALA A 45 -6.900 -4.035 2.993 1.00 25.20 H new ATOM 0 HB3 ALA A 45 -6.825 -4.214 4.762 1.00 25.20 H new ATOM 687 N LYS A 46 -5.330 -1.878 6.295 1.00 13.03 N ATOM 688 CA LYS A 46 -5.395 -1.196 7.582 1.00 43.34 C ATOM 689 C LYS A 46 -4.769 0.193 7.493 1.00 70.31 C ATOM 690 O LYS A 46 -5.343 1.175 7.964 1.00 22.30 O ATOM 691 CB LYS A 46 -4.682 -2.019 8.657 1.00 64.42 C ATOM 692 CG LYS A 46 -5.593 -2.452 9.794 1.00 4.14 C ATOM 693 CD LYS A 46 -5.459 -1.531 10.994 1.00 13.41 C ATOM 694 CE LYS A 46 -6.746 -1.480 11.804 1.00 63.34 C ATOM 695 NZ LYS A 46 -6.974 -2.742 12.562 1.00 23.30 N ATOM 0 H LYS A 46 -4.592 -2.579 6.227 1.00 13.03 H new ATOM 0 HA LYS A 46 -6.445 -1.087 7.854 1.00 43.34 H new ATOM 0 HB2 LYS A 46 -4.245 -2.904 8.195 1.00 64.42 H new ATOM 0 HB3 LYS A 46 -3.858 -1.433 9.065 1.00 64.42 H new ATOM 0 HG2 LYS A 46 -6.628 -2.457 9.451 1.00 4.14 H new ATOM 0 HG3 LYS A 46 -5.350 -3.473 10.088 1.00 4.14 H new ATOM 0 HD2 LYS A 46 -4.642 -1.875 11.628 1.00 13.41 H new ATOM 0 HD3 LYS A 46 -5.200 -0.527 10.657 1.00 13.41 H new ATOM 0 HE2 LYS A 46 -6.705 -0.641 12.499 1.00 63.34 H new ATOM 0 HE3 LYS A 46 -7.589 -1.300 11.136 1.00 63.34 H new ATOM 0 HZ1 LYS A 46 -7.860 -2.668 13.101 1.00 23.30 H new ATOM 0 HZ2 LYS A 46 -7.039 -3.539 11.897 1.00 23.30 H new ATOM 0 HZ3 LYS A 46 -6.182 -2.901 13.218 1.00 23.30 H new ATOM 709 N LYS A 47 -3.590 0.268 6.885 1.00 62.22 N ATOM 710 CA LYS A 47 -2.887 1.536 6.731 1.00 22.32 C ATOM 711 C LYS A 47 -3.705 2.512 5.892 1.00 0.55 C ATOM 712 O LYS A 47 -3.966 3.638 6.314 1.00 40.03 O ATOM 713 CB LYS A 47 -1.520 1.309 6.081 1.00 32.31 C ATOM 714 CG LYS A 47 -0.613 0.387 6.879 1.00 52.24 C ATOM 715 CD LYS A 47 -0.177 1.028 8.186 1.00 3.33 C ATOM 716 CE LYS A 47 0.383 -0.003 9.153 1.00 73.15 C ATOM 717 NZ LYS A 47 -0.638 -1.018 9.533 1.00 74.02 N ATOM 0 H LYS A 47 -3.101 -0.535 6.490 1.00 62.22 H new ATOM 0 HA LYS A 47 -2.744 1.967 7.722 1.00 22.32 H new ATOM 0 HB2 LYS A 47 -1.665 0.890 5.085 1.00 32.31 H new ATOM 0 HB3 LYS A 47 -1.024 2.271 5.952 1.00 32.31 H new ATOM 0 HG2 LYS A 47 -1.135 -0.547 7.087 1.00 52.24 H new ATOM 0 HG3 LYS A 47 0.266 0.136 6.285 1.00 52.24 H new ATOM 0 HD2 LYS A 47 0.578 1.788 7.986 1.00 3.33 H new ATOM 0 HD3 LYS A 47 -1.026 1.535 8.645 1.00 3.33 H new ATOM 0 HE2 LYS A 47 1.239 -0.501 8.697 1.00 73.15 H new ATOM 0 HE3 LYS A 47 0.747 0.499 10.049 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 -0.847 -0.937 10.548 1.00 74.02 H new ATOM 0 HZ2 LYS A 47 -1.508 -0.857 8.986 1.00 74.02 H new ATOM 0 HZ3 LYS A 47 -0.273 -1.970 9.330 1.00 74.02 H new ATOM 731 N ALA A 48 -4.105 2.074 4.703 1.00 15.42 N ATOM 732 CA ALA A 48 -4.895 2.909 3.808 1.00 23.45 C ATOM 733 C ALA A 48 -6.191 3.355 4.474 1.00 70.20 C ATOM 734 O ALA A 48 -6.528 4.539 4.466 1.00 15.25 O ATOM 735 CB ALA A 48 -5.193 2.161 2.516 1.00 41.24 C ATOM 0 H ALA A 48 -3.895 1.145 4.337 1.00 15.42 H new ATOM 0 HA ALA A 48 -4.313 3.800 3.574 1.00 23.45 H new ATOM 0 HB1 ALA A 48 -5.784 2.796 1.856 1.00 41.24 H new ATOM 0 HB2 ALA A 48 -4.257 1.898 2.024 1.00 41.24 H new ATOM 0 HB3 ALA A 48 -5.752 1.253 2.742 1.00 41.24 H new ATOM 741 N GLU A 49 -6.916 2.400 5.048 1.00 32.12 N ATOM 742 CA GLU A 49 -8.176 2.696 5.718 1.00 74.01 C ATOM 743 C GLU A 49 -7.969 3.698 6.850 1.00 52.02 C ATOM 744 O GLU A 49 -8.806 4.569 7.083 1.00 24.32 O ATOM 745 CB GLU A 49 -8.803 1.412 6.267 1.00 1.22 C ATOM 746 CG GLU A 49 -10.176 1.619 6.882 1.00 53.33 C ATOM 747 CD GLU A 49 -11.292 1.533 5.859 1.00 54.41 C ATOM 748 OE1 GLU A 49 -11.659 0.402 5.475 1.00 50.41 O ATOM 749 OE2 GLU A 49 -11.799 2.596 5.443 1.00 60.24 O ATOM 0 H GLU A 49 -6.652 1.415 5.062 1.00 32.12 H new ATOM 0 HA GLU A 49 -8.852 3.137 4.985 1.00 74.01 H new ATOM 0 HB2 GLU A 49 -8.882 0.683 5.461 1.00 1.22 H new ATOM 0 HB3 GLU A 49 -8.138 0.986 7.018 1.00 1.22 H new ATOM 0 HG2 GLU A 49 -10.340 0.870 7.657 1.00 53.33 H new ATOM 0 HG3 GLU A 49 -10.209 2.594 7.369 1.00 53.33 H new ATOM 757 N GLU A 50 -6.847 3.565 7.552 1.00 64.31 N ATOM 758 CA GLU A 50 -6.531 4.457 8.661 1.00 44.12 C ATOM 759 C GLU A 50 -6.110 5.832 8.149 1.00 54.32 C ATOM 760 O GLU A 50 -6.379 6.853 8.785 1.00 21.51 O ATOM 761 CB GLU A 50 -5.417 3.860 9.524 1.00 71.35 C ATOM 762 CG GLU A 50 -5.369 4.427 10.932 1.00 41.23 C ATOM 763 CD GLU A 50 -6.260 3.671 11.897 1.00 51.05 C ATOM 764 OE1 GLU A 50 -7.398 3.330 11.510 1.00 41.53 O ATOM 765 OE2 GLU A 50 -5.822 3.420 13.039 1.00 55.35 O ATOM 0 H GLU A 50 -6.143 2.849 7.372 1.00 64.31 H new ATOM 0 HA GLU A 50 -7.429 4.572 9.268 1.00 44.12 H new ATOM 0 HB2 GLU A 50 -5.552 2.780 9.581 1.00 71.35 H new ATOM 0 HB3 GLU A 50 -4.458 4.036 9.037 1.00 71.35 H new ATOM 0 HG2 GLU A 50 -4.342 4.400 11.295 1.00 41.23 H new ATOM 0 HG3 GLU A 50 -5.672 5.474 10.908 1.00 41.23 H new ATOM 773 N LEU A 51 -5.448 5.852 6.998 1.00 20.53 N ATOM 774 CA LEU A 51 -4.988 7.100 6.399 1.00 13.31 C ATOM 775 C LEU A 51 -6.158 7.889 5.819 1.00 30.30 C ATOM 776 O LEU A 51 -6.263 9.099 6.016 1.00 13.04 O ATOM 777 CB LEU A 51 -3.957 6.816 5.306 1.00 70.24 C ATOM 778 CG LEU A 51 -2.647 6.178 5.769 1.00 4.22 C ATOM 779 CD1 LEU A 51 -2.113 5.226 4.710 1.00 44.32 C ATOM 780 CD2 LEU A 51 -1.617 7.250 6.093 1.00 2.33 C ATOM 0 H LEU A 51 -5.217 5.017 6.460 1.00 20.53 H new ATOM 0 HA LEU A 51 -4.522 7.699 7.181 1.00 13.31 H new ATOM 0 HB2 LEU A 51 -4.414 6.161 4.564 1.00 70.24 H new ATOM 0 HB3 LEU A 51 -3.723 7.754 4.802 1.00 70.24 H new ATOM 0 HG LEU A 51 -2.844 5.606 6.676 1.00 4.22 H new ATOM 0 HD11 LEU A 51 -1.180 4.782 5.057 1.00 44.32 H new ATOM 0 HD12 LEU A 51 -2.844 4.439 4.527 1.00 44.32 H new ATOM 0 HD13 LEU A 51 -1.931 5.775 3.786 1.00 44.32 H new ATOM 0 HD21 LEU A 51 -0.691 6.778 6.421 1.00 2.33 H new ATOM 0 HD22 LEU A 51 -1.423 7.849 5.203 1.00 2.33 H new ATOM 0 HD23 LEU A 51 -1.998 7.892 6.887 1.00 2.33 H new ATOM 792 N PHE A 52 -7.036 7.194 5.103 1.00 12.25 N ATOM 793 CA PHE A 52 -8.200 7.828 4.495 1.00 2.43 C ATOM 794 C PHE A 52 -9.013 8.587 5.539 1.00 23.42 C ATOM 795 O PHE A 52 -9.665 9.584 5.231 1.00 41.34 O ATOM 796 CB PHE A 52 -9.078 6.780 3.809 1.00 40.43 C ATOM 797 CG PHE A 52 -10.387 7.327 3.314 1.00 10.42 C ATOM 798 CD1 PHE A 52 -10.423 8.466 2.527 1.00 65.22 C ATOM 799 CD2 PHE A 52 -11.580 6.700 3.636 1.00 43.12 C ATOM 800 CE1 PHE A 52 -11.627 8.972 2.071 1.00 21.52 C ATOM 801 CE2 PHE A 52 -12.786 7.201 3.183 1.00 21.13 C ATOM 802 CZ PHE A 52 -12.809 8.338 2.398 1.00 34.32 C ATOM 0 H PHE A 52 -6.963 6.191 4.930 1.00 12.25 H new ATOM 0 HA PHE A 52 -7.847 8.540 3.749 1.00 2.43 H new ATOM 0 HB2 PHE A 52 -8.531 6.353 2.969 1.00 40.43 H new ATOM 0 HB3 PHE A 52 -9.274 5.967 4.508 1.00 40.43 H new ATOM 0 HD1 PHE A 52 -9.501 8.965 2.266 1.00 65.22 H new ATOM 0 HD2 PHE A 52 -11.567 5.810 4.248 1.00 43.12 H new ATOM 0 HE1 PHE A 52 -11.642 9.862 1.460 1.00 21.52 H new ATOM 0 HE2 PHE A 52 -13.709 6.704 3.442 1.00 21.13 H new ATOM 0 HZ PHE A 52 -13.750 8.730 2.041 1.00 34.32 H new ATOM 812 N LYS A 53 -8.971 8.106 6.777 1.00 64.32 N ATOM 813 CA LYS A 53 -9.703 8.737 7.869 1.00 65.35 C ATOM 814 C LYS A 53 -9.219 10.165 8.095 1.00 63.03 C ATOM 815 O LYS A 53 -10.022 11.084 8.263 1.00 3.24 O ATOM 816 CB LYS A 53 -9.543 7.923 9.155 1.00 3.51 C ATOM 817 CG LYS A 53 -10.254 6.582 9.119 1.00 34.42 C ATOM 818 CD LYS A 53 -11.744 6.734 9.377 1.00 41.25 C ATOM 819 CE LYS A 53 -12.355 5.441 9.897 1.00 24.40 C ATOM 820 NZ LYS A 53 -13.763 5.271 9.442 1.00 4.15 N ATOM 0 H LYS A 53 -8.437 7.281 7.049 1.00 64.32 H new ATOM 0 HA LYS A 53 -10.758 8.769 7.595 1.00 65.35 H new ATOM 0 HB2 LYS A 53 -8.482 7.757 9.340 1.00 3.51 H new ATOM 0 HB3 LYS A 53 -9.926 8.505 9.993 1.00 3.51 H new ATOM 0 HG2 LYS A 53 -10.098 6.112 8.148 1.00 34.42 H new ATOM 0 HG3 LYS A 53 -9.820 5.919 9.867 1.00 34.42 H new ATOM 0 HD2 LYS A 53 -11.909 7.532 10.100 1.00 41.25 H new ATOM 0 HD3 LYS A 53 -12.246 7.030 8.456 1.00 41.25 H new ATOM 0 HE2 LYS A 53 -11.759 4.595 9.556 1.00 24.40 H new ATOM 0 HE3 LYS A 53 -12.322 5.436 10.986 1.00 24.40 H new ATOM 0 HZ1 LYS A 53 -14.144 4.379 9.817 1.00 4.15 H new ATOM 0 HZ2 LYS A 53 -14.338 6.065 9.788 1.00 4.15 H new ATOM 0 HZ3 LYS A 53 -13.792 5.250 8.403 1.00 4.15 H new ATOM 834 N LEU A 54 -7.903 10.346 8.096 1.00 1.14 N ATOM 835 CA LEU A 54 -7.312 11.664 8.300 1.00 30.14 C ATOM 836 C LEU A 54 -7.593 12.576 7.111 1.00 50.43 C ATOM 837 O LEU A 54 -7.649 13.798 7.252 1.00 15.34 O ATOM 838 CB LEU A 54 -5.802 11.539 8.515 1.00 43.52 C ATOM 839 CG LEU A 54 -5.270 12.058 9.852 1.00 2.24 C ATOM 840 CD1 LEU A 54 -5.488 13.559 9.968 1.00 21.53 C ATOM 841 CD2 LEU A 54 -5.936 11.329 11.010 1.00 11.34 C ATOM 0 H LEU A 54 -7.225 9.597 7.958 1.00 1.14 H new ATOM 0 HA LEU A 54 -7.765 12.105 9.188 1.00 30.14 H new ATOM 0 HB2 LEU A 54 -5.527 10.488 8.420 1.00 43.52 H new ATOM 0 HB3 LEU A 54 -5.295 12.075 7.712 1.00 43.52 H new ATOM 0 HG LEU A 54 -4.198 11.864 9.895 1.00 2.24 H new ATOM 0 HD11 LEU A 54 -5.103 13.910 10.926 1.00 21.53 H new ATOM 0 HD12 LEU A 54 -4.964 14.066 9.158 1.00 21.53 H new ATOM 0 HD13 LEU A 54 -6.554 13.778 9.903 1.00 21.53 H new ATOM 0 HD21 LEU A 54 -5.545 11.711 11.953 1.00 11.34 H new ATOM 0 HD22 LEU A 54 -7.013 11.491 10.971 1.00 11.34 H new ATOM 0 HD23 LEU A 54 -5.727 10.262 10.936 1.00 11.34 H new ATOM 853 N ALA A 55 -7.774 11.976 5.940 1.00 30.25 N ATOM 854 CA ALA A 55 -8.054 12.734 4.727 1.00 70.52 C ATOM 855 C ALA A 55 -9.244 13.668 4.926 1.00 13.40 C ATOM 856 O ALA A 55 -9.342 14.709 4.278 1.00 3.15 O ATOM 857 CB ALA A 55 -8.312 11.791 3.562 1.00 30.43 C ATOM 0 H ALA A 55 -7.732 10.966 5.805 1.00 30.25 H new ATOM 0 HA ALA A 55 -7.179 13.344 4.500 1.00 70.52 H new ATOM 0 HB1 ALA A 55 -8.520 12.372 2.663 1.00 30.43 H new ATOM 0 HB2 ALA A 55 -7.433 11.168 3.397 1.00 30.43 H new ATOM 0 HB3 ALA A 55 -9.169 11.157 3.790 1.00 30.43 H new ATOM 863 N GLU A 56 -10.145 13.288 5.828 1.00 25.54 N ATOM 864 CA GLU A 56 -11.328 14.091 6.110 1.00 10.11 C ATOM 865 C GLU A 56 -10.940 15.434 6.723 1.00 12.34 C ATOM 866 O GLU A 56 -11.451 16.480 6.325 1.00 73.51 O ATOM 867 CB GLU A 56 -12.268 13.340 7.054 1.00 62.22 C ATOM 868 CG GLU A 56 -13.341 14.221 7.672 1.00 54.03 C ATOM 869 CD GLU A 56 -14.664 13.499 7.839 1.00 14.10 C ATOM 870 OE1 GLU A 56 -15.718 14.136 7.630 1.00 4.25 O ATOM 871 OE2 GLU A 56 -14.647 12.297 8.179 1.00 4.20 O ATOM 0 H GLU A 56 -10.077 12.430 6.375 1.00 25.54 H new ATOM 0 HA GLU A 56 -11.843 14.276 5.168 1.00 10.11 H new ATOM 0 HB2 GLU A 56 -12.747 12.528 6.506 1.00 62.22 H new ATOM 0 HB3 GLU A 56 -11.681 12.884 7.851 1.00 62.22 H new ATOM 0 HG2 GLU A 56 -12.999 14.575 8.645 1.00 54.03 H new ATOM 0 HG3 GLU A 56 -13.488 15.101 7.046 1.00 54.03 H new ATOM 879 N GLU A 57 -10.033 15.395 7.694 1.00 33.25 N ATOM 880 CA GLU A 57 -9.577 16.607 8.362 1.00 14.14 C ATOM 881 C GLU A 57 -8.798 17.499 7.400 1.00 11.32 C ATOM 882 O GLU A 57 -8.910 18.725 7.445 1.00 5.12 O ATOM 883 CB GLU A 57 -8.704 16.254 9.569 1.00 42.20 C ATOM 884 CG GLU A 57 -8.384 17.444 10.458 1.00 43.40 C ATOM 885 CD GLU A 57 -7.244 17.166 11.417 1.00 32.02 C ATOM 886 OE1 GLU A 57 -6.092 17.041 10.949 1.00 51.41 O ATOM 887 OE2 GLU A 57 -7.501 17.072 12.636 1.00 61.33 O ATOM 0 H GLU A 57 -9.600 14.537 8.035 1.00 33.25 H new ATOM 0 HA GLU A 57 -10.455 17.153 8.706 1.00 14.14 H new ATOM 0 HB2 GLU A 57 -9.211 15.493 10.163 1.00 42.20 H new ATOM 0 HB3 GLU A 57 -7.771 15.814 9.216 1.00 42.20 H new ATOM 0 HG2 GLU A 57 -8.128 18.300 9.834 1.00 43.40 H new ATOM 0 HG3 GLU A 57 -9.273 17.718 11.026 1.00 43.40 H new ATOM 895 N ARG A 58 -8.009 16.876 6.532 1.00 13.14 N ATOM 896 CA ARG A 58 -7.209 17.612 5.560 1.00 74.02 C ATOM 897 C ARG A 58 -8.071 18.080 4.391 1.00 1.21 C ATOM 898 O ARG A 58 -7.695 18.993 3.656 1.00 42.34 O ATOM 899 CB ARG A 58 -6.062 16.740 5.046 1.00 41.04 C ATOM 900 CG ARG A 58 -5.003 16.448 6.095 1.00 35.44 C ATOM 901 CD ARG A 58 -4.703 14.959 6.182 1.00 13.53 C ATOM 902 NE ARG A 58 -4.106 14.448 4.951 1.00 13.23 N ATOM 903 CZ ARG A 58 -2.873 14.743 4.554 1.00 41.22 C ATOM 904 NH1 ARG A 58 -2.110 15.542 5.287 1.00 12.21 N ATOM 905 NH2 ARG A 58 -2.401 14.240 3.421 1.00 21.52 N ATOM 0 H ARG A 58 -7.906 15.862 6.481 1.00 13.14 H new ATOM 0 HA ARG A 58 -6.794 18.489 6.057 1.00 74.02 H new ATOM 0 HB2 ARG A 58 -6.469 15.797 4.680 1.00 41.04 H new ATOM 0 HB3 ARG A 58 -5.593 17.235 4.196 1.00 41.04 H new ATOM 0 HG2 ARG A 58 -4.089 16.991 5.853 1.00 35.44 H new ATOM 0 HG3 ARG A 58 -5.341 16.810 7.066 1.00 35.44 H new ATOM 0 HD2 ARG A 58 -4.027 14.774 7.017 1.00 13.53 H new ATOM 0 HD3 ARG A 58 -5.624 14.415 6.391 1.00 13.53 H new ATOM 0 HE ARG A 58 -4.667 13.831 4.364 1.00 13.23 H new ATOM 0 HH11 ARG A 58 -2.469 15.932 6.158 1.00 12.21 H new ATOM 0 HH12 ARG A 58 -1.164 15.767 4.980 1.00 12.21 H new ATOM 0 HH21 ARG A 58 -2.985 13.626 2.853 1.00 21.52 H new ATOM 0 HH22 ARG A 58 -1.454 14.467 3.117 1.00 21.52 H new ATOM 919 N LEU A 59 -9.227 17.447 4.224 1.00 52.53 N ATOM 920 CA LEU A 59 -10.143 17.798 3.144 1.00 21.41 C ATOM 921 C LEU A 59 -11.270 18.689 3.654 1.00 42.44 C ATOM 922 O LEU A 59 -11.247 19.906 3.467 1.00 43.33 O ATOM 923 CB LEU A 59 -10.724 16.532 2.511 1.00 52.04 C ATOM 924 CG LEU A 59 -11.799 16.748 1.445 1.00 62.50 C ATOM 925 CD1 LEU A 59 -11.305 17.711 0.376 1.00 74.32 C ATOM 926 CD2 LEU A 59 -12.207 15.421 0.822 1.00 31.51 C ATOM 0 H LEU A 59 -9.552 16.688 4.823 1.00 52.53 H new ATOM 0 HA LEU A 59 -9.582 18.350 2.390 1.00 21.41 H new ATOM 0 HB2 LEU A 59 -9.907 15.965 2.065 1.00 52.04 H new ATOM 0 HB3 LEU A 59 -11.146 15.914 3.304 1.00 52.04 H new ATOM 0 HG LEU A 59 -12.675 17.186 1.924 1.00 62.50 H new ATOM 0 HD11 LEU A 59 -12.083 17.852 -0.374 1.00 74.32 H new ATOM 0 HD12 LEU A 59 -11.064 18.670 0.834 1.00 74.32 H new ATOM 0 HD13 LEU A 59 -10.414 17.301 -0.099 1.00 74.32 H new ATOM 0 HD21 LEU A 59 -12.973 15.594 0.066 1.00 31.51 H new ATOM 0 HD22 LEU A 59 -11.338 14.954 0.358 1.00 31.51 H new ATOM 0 HD23 LEU A 59 -12.603 14.763 1.595 1.00 31.51 H new ATOM 938 N LYS A 60 -12.256 18.077 4.300 1.00 13.30 N ATOM 939 CA LYS A 60 -13.391 18.814 4.841 1.00 61.24 C ATOM 940 C LYS A 60 -13.171 19.151 6.312 1.00 14.40 C ATOM 941 O LYS A 60 -12.098 18.902 6.863 1.00 72.31 O ATOM 942 CB LYS A 60 -14.678 18.001 4.681 1.00 21.32 C ATOM 943 CG LYS A 60 -14.561 16.573 5.189 1.00 43.33 C ATOM 944 CD LYS A 60 -14.793 15.565 4.075 1.00 72.44 C ATOM 945 CE LYS A 60 -16.194 14.976 4.140 1.00 72.31 C ATOM 946 NZ LYS A 60 -16.180 13.563 4.613 1.00 44.43 N ATOM 0 H LYS A 60 -12.292 17.071 4.462 1.00 13.30 H new ATOM 0 HA LYS A 60 -13.485 19.746 4.283 1.00 61.24 H new ATOM 0 HB2 LYS A 60 -15.484 18.503 5.215 1.00 21.32 H new ATOM 0 HB3 LYS A 60 -14.957 17.982 3.628 1.00 21.32 H new ATOM 0 HG2 LYS A 60 -13.572 16.419 5.620 1.00 43.33 H new ATOM 0 HG3 LYS A 60 -15.286 16.409 5.987 1.00 43.33 H new ATOM 0 HD2 LYS A 60 -14.644 16.048 3.109 1.00 72.44 H new ATOM 0 HD3 LYS A 60 -14.057 14.765 4.148 1.00 72.44 H new ATOM 0 HE2 LYS A 60 -16.810 15.577 4.809 1.00 72.31 H new ATOM 0 HE3 LYS A 60 -16.655 15.024 3.153 1.00 72.31 H new ATOM 0 HZ1 LYS A 60 -17.057 13.089 4.317 1.00 44.43 H new ATOM 0 HZ2 LYS A 60 -15.363 13.068 4.202 1.00 44.43 H new ATOM 0 HZ3 LYS A 60 -16.110 13.545 5.650 1.00 44.43 H new ATOM 960 N LYS A 61 -14.192 19.719 6.944 1.00 75.33 N ATOM 961 CA LYS A 61 -14.112 20.087 8.352 1.00 53.20 C ATOM 962 C LYS A 61 -14.777 19.032 9.230 1.00 74.43 C ATOM 963 O LYS A 61 -15.958 19.140 9.563 1.00 63.04 O ATOM 964 CB LYS A 61 -14.774 21.448 8.583 1.00 73.31 C ATOM 965 CG LYS A 61 -16.168 21.556 7.990 1.00 21.54 C ATOM 966 CD LYS A 61 -16.163 22.353 6.697 1.00 42.55 C ATOM 967 CE LYS A 61 -17.531 22.343 6.030 1.00 32.11 C ATOM 968 NZ LYS A 61 -18.408 23.430 6.547 1.00 20.10 N ATOM 0 H LYS A 61 -15.086 19.935 6.502 1.00 75.33 H new ATOM 0 HA LYS A 61 -13.059 20.150 8.625 1.00 53.20 H new ATOM 0 HB2 LYS A 61 -14.829 21.639 9.655 1.00 73.31 H new ATOM 0 HB3 LYS A 61 -14.144 22.227 8.153 1.00 73.31 H new ATOM 0 HG2 LYS A 61 -16.563 20.558 7.802 1.00 21.54 H new ATOM 0 HG3 LYS A 61 -16.835 22.032 8.709 1.00 21.54 H new ATOM 0 HD2 LYS A 61 -15.865 23.381 6.903 1.00 42.55 H new ATOM 0 HD3 LYS A 61 -15.421 21.937 6.015 1.00 42.55 H new ATOM 0 HE2 LYS A 61 -17.411 22.455 4.952 1.00 32.11 H new ATOM 0 HE3 LYS A 61 -18.010 21.379 6.199 1.00 32.11 H new ATOM 0 HZ1 LYS A 61 -19.330 23.389 6.068 1.00 20.10 H new ATOM 0 HZ2 LYS A 61 -18.544 23.309 7.571 1.00 20.10 H new ATOM 0 HZ3 LYS A 61 -17.963 24.352 6.364 1.00 20.10 H new ATOM 982 N LEU A 62 -14.012 18.013 9.604 1.00 74.01 N ATOM 983 CA LEU A 62 -14.526 16.938 10.446 1.00 30.41 C ATOM 984 C LEU A 62 -15.219 17.499 11.684 1.00 2.34 C ATOM 985 O LEU A 62 -16.365 17.141 11.947 1.00 72.02 O ATOM 986 CB LEU A 62 -13.391 16.001 10.862 1.00 14.25 C ATOM 987 CG LEU A 62 -13.782 14.546 11.121 1.00 62.20 C ATOM 988 CD1 LEU A 62 -12.570 13.736 11.556 1.00 43.33 C ATOM 989 CD2 LEU A 62 -14.882 14.467 12.170 1.00 64.10 C ATOM 0 H LEU A 62 -13.033 17.908 9.338 1.00 74.01 H new ATOM 0 HA LEU A 62 -15.258 16.375 9.867 1.00 30.41 H new ATOM 0 HB2 LEU A 62 -12.629 16.018 10.083 1.00 14.25 H new ATOM 0 HB3 LEU A 62 -12.931 16.399 11.767 1.00 14.25 H new ATOM 0 HG LEU A 62 -14.162 14.122 10.192 1.00 62.20 H new ATOM 0 HD11 LEU A 62 -12.868 12.703 11.736 1.00 43.33 H new ATOM 0 HD12 LEU A 62 -11.813 13.764 10.772 1.00 43.33 H new ATOM 0 HD13 LEU A 62 -12.159 14.160 12.472 1.00 43.33 H new ATOM 0 HD21 LEU A 62 -15.147 13.424 12.341 1.00 64.10 H new ATOM 0 HD22 LEU A 62 -14.529 14.909 13.102 1.00 64.10 H new ATOM 0 HD23 LEU A 62 -15.759 15.011 11.819 1.00 64.10 H new ATOM 1002 N MET B 1 14.929 -17.513 -13.039 1.00 5.44 N ATOM 1003 CA MET B 1 14.364 -18.696 -12.399 1.00 1.52 C ATOM 1004 C MET B 1 12.921 -18.446 -11.974 1.00 44.23 C ATOM 1005 O MET B 1 12.597 -18.482 -10.787 1.00 31.11 O ATOM 1006 CB MET B 1 15.204 -19.095 -11.184 1.00 53.31 C ATOM 1007 CG MET B 1 16.625 -19.507 -11.536 1.00 52.04 C ATOM 1008 SD MET B 1 17.852 -18.783 -10.430 1.00 64.35 S ATOM 1009 CE MET B 1 18.011 -17.142 -11.129 1.00 22.11 C ATOM 0 H1 MET B 1 15.711 -17.796 -13.663 1.00 5.44 H new ATOM 0 H2 MET B 1 14.194 -17.037 -13.599 1.00 5.44 H new ATOM 0 H3 MET B 1 15.286 -16.861 -12.311 1.00 5.44 H new ATOM 0 HA MET B 1 14.375 -19.511 -13.123 1.00 1.52 H new ATOM 0 HB2 MET B 1 15.239 -18.258 -10.486 1.00 53.31 H new ATOM 0 HB3 MET B 1 14.713 -19.920 -10.668 1.00 53.31 H new ATOM 0 HG2 MET B 1 16.704 -20.593 -11.499 1.00 52.04 H new ATOM 0 HG3 MET B 1 16.843 -19.207 -12.561 1.00 52.04 H new ATOM 0 HE1 MET B 1 18.738 -16.570 -10.552 1.00 22.11 H new ATOM 0 HE2 MET B 1 18.347 -17.218 -12.163 1.00 22.11 H new ATOM 0 HE3 MET B 1 17.045 -16.638 -11.098 1.00 22.11 H new ATOM 1019 N LYS B 2 12.057 -18.192 -12.952 1.00 15.31 N ATOM 1020 CA LYS B 2 10.647 -17.937 -12.679 1.00 1.43 C ATOM 1021 C LYS B 2 9.826 -19.214 -12.821 1.00 20.02 C ATOM 1022 O LYS B 2 10.375 -20.314 -12.884 1.00 21.44 O ATOM 1023 CB LYS B 2 10.109 -16.864 -13.629 1.00 3.50 C ATOM 1024 CG LYS B 2 9.894 -17.361 -15.048 1.00 43.11 C ATOM 1025 CD LYS B 2 10.001 -16.230 -16.057 1.00 41.10 C ATOM 1026 CE LYS B 2 8.858 -15.236 -15.904 1.00 22.45 C ATOM 1027 NZ LYS B 2 8.874 -14.205 -16.978 1.00 71.21 N ATOM 0 H LYS B 2 12.308 -18.157 -13.940 1.00 15.31 H new ATOM 0 HA LYS B 2 10.560 -17.582 -11.652 1.00 1.43 H new ATOM 0 HB2 LYS B 2 9.164 -16.485 -13.238 1.00 3.50 H new ATOM 0 HB3 LYS B 2 10.805 -16.025 -13.648 1.00 3.50 H new ATOM 0 HG2 LYS B 2 10.632 -18.129 -15.281 1.00 43.11 H new ATOM 0 HG3 LYS B 2 8.912 -17.828 -15.126 1.00 43.11 H new ATOM 0 HD2 LYS B 2 10.953 -15.714 -15.928 1.00 41.10 H new ATOM 0 HD3 LYS B 2 9.995 -16.640 -17.067 1.00 41.10 H new ATOM 0 HE2 LYS B 2 7.907 -15.769 -15.926 1.00 22.45 H new ATOM 0 HE3 LYS B 2 8.928 -14.749 -14.931 1.00 22.45 H new ATOM 0 HZ1 LYS B 2 8.081 -13.547 -16.839 1.00 71.21 H new ATOM 0 HZ2 LYS B 2 9.771 -13.679 -16.941 1.00 71.21 H new ATOM 0 HZ3 LYS B 2 8.782 -14.668 -17.905 1.00 71.21 H new ATOM 1041 N LYS B 3 8.506 -19.062 -12.872 1.00 22.15 N ATOM 1042 CA LYS B 3 7.609 -20.203 -13.010 1.00 64.13 C ATOM 1043 C LYS B 3 6.153 -19.748 -13.047 1.00 1.25 C ATOM 1044 O LYS B 3 5.404 -20.105 -13.957 1.00 23.30 O ATOM 1045 CB LYS B 3 7.818 -21.185 -11.855 1.00 4.40 C ATOM 1046 CG LYS B 3 8.482 -22.485 -12.275 1.00 32.13 C ATOM 1047 CD LYS B 3 7.645 -23.691 -11.881 1.00 21.10 C ATOM 1048 CE LYS B 3 8.505 -24.933 -11.706 1.00 34.12 C ATOM 1049 NZ LYS B 3 9.054 -25.415 -13.004 1.00 73.01 N ATOM 0 H LYS B 3 8.034 -18.159 -12.820 1.00 22.15 H new ATOM 0 HA LYS B 3 7.840 -20.703 -13.950 1.00 64.13 H new ATOM 0 HB2 LYS B 3 8.427 -20.707 -11.088 1.00 4.40 H new ATOM 0 HB3 LYS B 3 6.853 -21.410 -11.401 1.00 4.40 H new ATOM 0 HG2 LYS B 3 8.635 -22.484 -13.354 1.00 32.13 H new ATOM 0 HG3 LYS B 3 9.467 -22.558 -11.813 1.00 32.13 H new ATOM 0 HD2 LYS B 3 7.116 -23.480 -10.952 1.00 21.10 H new ATOM 0 HD3 LYS B 3 6.889 -23.875 -12.644 1.00 21.10 H new ATOM 0 HE2 LYS B 3 9.326 -24.713 -11.024 1.00 34.12 H new ATOM 0 HE3 LYS B 3 7.912 -25.724 -11.247 1.00 34.12 H new ATOM 0 HZ1 LYS B 3 9.634 -26.263 -12.842 1.00 73.01 H new ATOM 0 HZ2 LYS B 3 8.271 -25.649 -13.647 1.00 73.01 H new ATOM 0 HZ3 LYS B 3 9.641 -24.670 -13.431 1.00 73.01 H new ATOM 1063 N LEU B 4 5.760 -18.958 -12.054 1.00 71.12 N ATOM 1064 CA LEU B 4 4.394 -18.453 -11.975 1.00 51.44 C ATOM 1065 C LEU B 4 4.189 -17.634 -10.704 1.00 30.53 C ATOM 1066 O LEU B 4 3.409 -16.682 -10.686 1.00 13.01 O ATOM 1067 CB LEU B 4 3.397 -19.612 -12.014 1.00 32.32 C ATOM 1068 CG LEU B 4 2.236 -19.467 -12.997 1.00 51.33 C ATOM 1069 CD1 LEU B 4 1.381 -18.260 -12.639 1.00 23.33 C ATOM 1070 CD2 LEU B 4 2.756 -19.351 -14.423 1.00 53.24 C ATOM 0 H LEU B 4 6.367 -18.654 -11.293 1.00 71.12 H new ATOM 0 HA LEU B 4 4.222 -17.805 -12.835 1.00 51.44 H new ATOM 0 HB2 LEU B 4 3.941 -20.525 -12.258 1.00 32.32 H new ATOM 0 HB3 LEU B 4 2.985 -19.744 -11.014 1.00 32.32 H new ATOM 0 HG LEU B 4 1.614 -20.360 -12.930 1.00 51.33 H new ATOM 0 HD11 LEU B 4 0.559 -18.173 -13.350 1.00 23.33 H new ATOM 0 HD12 LEU B 4 0.979 -18.384 -11.633 1.00 23.33 H new ATOM 0 HD13 LEU B 4 1.991 -17.358 -12.677 1.00 23.33 H new ATOM 0 HD21 LEU B 4 1.916 -19.248 -15.110 1.00 53.24 H new ATOM 0 HD22 LEU B 4 3.401 -18.476 -14.505 1.00 53.24 H new ATOM 0 HD23 LEU B 4 3.325 -20.246 -14.677 1.00 53.24 H new ATOM 1082 N ARG B 5 4.897 -18.011 -9.643 1.00 4.43 N ATOM 1083 CA ARG B 5 4.794 -17.310 -8.369 1.00 74.10 C ATOM 1084 C ARG B 5 5.427 -15.924 -8.457 1.00 60.53 C ATOM 1085 O ARG B 5 5.083 -15.025 -7.689 1.00 24.44 O ATOM 1086 CB ARG B 5 5.469 -18.122 -7.262 1.00 13.32 C ATOM 1087 CG ARG B 5 5.090 -19.593 -7.267 1.00 73.31 C ATOM 1088 CD ARG B 5 6.237 -20.463 -7.756 1.00 5.33 C ATOM 1089 NE ARG B 5 6.288 -21.745 -7.060 1.00 60.41 N ATOM 1090 CZ ARG B 5 5.457 -22.751 -7.312 1.00 61.14 C ATOM 1091 NH1 ARG B 5 4.517 -22.623 -8.238 1.00 45.22 N ATOM 1092 NH2 ARG B 5 5.566 -23.888 -6.636 1.00 25.31 N ATOM 0 H ARG B 5 5.547 -18.797 -9.641 1.00 4.43 H new ATOM 0 HA ARG B 5 3.737 -17.192 -8.132 1.00 74.10 H new ATOM 0 HB2 ARG B 5 6.550 -18.034 -7.367 1.00 13.32 H new ATOM 0 HB3 ARG B 5 5.206 -17.691 -6.296 1.00 13.32 H new ATOM 0 HG2 ARG B 5 4.803 -19.899 -6.261 1.00 73.31 H new ATOM 0 HG3 ARG B 5 4.220 -19.743 -7.906 1.00 73.31 H new ATOM 0 HD2 ARG B 5 6.129 -20.636 -8.827 1.00 5.33 H new ATOM 0 HD3 ARG B 5 7.179 -19.935 -7.612 1.00 5.33 H new ATOM 0 HE ARG B 5 7.000 -21.876 -6.341 1.00 60.41 H new ATOM 0 HH11 ARG B 5 4.430 -21.751 -8.759 1.00 45.22 H new ATOM 0 HH12 ARG B 5 3.881 -23.397 -8.429 1.00 45.22 H new ATOM 0 HH21 ARG B 5 6.288 -23.990 -5.923 1.00 25.31 H new ATOM 0 HH22 ARG B 5 4.928 -24.660 -6.830 1.00 25.31 H new ATOM 1106 N GLU B 6 6.353 -15.761 -9.397 1.00 53.01 N ATOM 1107 CA GLU B 6 7.034 -14.486 -9.583 1.00 53.54 C ATOM 1108 C GLU B 6 6.027 -13.354 -9.773 1.00 11.30 C ATOM 1109 O GLU B 6 6.270 -12.219 -9.364 1.00 2.25 O ATOM 1110 CB GLU B 6 7.974 -14.555 -10.789 1.00 41.54 C ATOM 1111 CG GLU B 6 9.150 -13.597 -10.700 1.00 34.10 C ATOM 1112 CD GLU B 6 9.131 -12.545 -11.790 1.00 71.33 C ATOM 1113 OE1 GLU B 6 10.167 -12.372 -12.466 1.00 73.44 O ATOM 1114 OE2 GLU B 6 8.079 -11.894 -11.968 1.00 22.12 O ATOM 0 H GLU B 6 6.648 -16.495 -10.041 1.00 53.01 H new ATOM 0 HA GLU B 6 7.620 -14.282 -8.687 1.00 53.54 H new ATOM 0 HB2 GLU B 6 8.352 -15.573 -10.887 1.00 41.54 H new ATOM 0 HB3 GLU B 6 7.407 -14.337 -11.694 1.00 41.54 H new ATOM 0 HG2 GLU B 6 9.141 -13.106 -9.727 1.00 34.10 H new ATOM 0 HG3 GLU B 6 10.080 -14.163 -10.763 1.00 34.10 H new ATOM 1122 N GLU B 7 4.898 -13.673 -10.398 1.00 14.32 N ATOM 1123 CA GLU B 7 3.856 -12.683 -10.643 1.00 23.01 C ATOM 1124 C GLU B 7 3.420 -12.016 -9.341 1.00 35.53 C ATOM 1125 O GLU B 7 3.431 -10.792 -9.224 1.00 13.05 O ATOM 1126 CB GLU B 7 2.650 -13.337 -11.322 1.00 22.10 C ATOM 1127 CG GLU B 7 2.873 -13.642 -12.794 1.00 20.44 C ATOM 1128 CD GLU B 7 2.265 -12.595 -13.706 1.00 51.41 C ATOM 1129 OE1 GLU B 7 1.993 -11.475 -13.223 1.00 63.32 O ATOM 1130 OE2 GLU B 7 2.061 -12.893 -14.901 1.00 33.11 O ATOM 0 H GLU B 7 4.682 -14.608 -10.743 1.00 14.32 H new ATOM 0 HA GLU B 7 4.266 -11.918 -11.303 1.00 23.01 H new ATOM 0 HB2 GLU B 7 2.407 -14.263 -10.800 1.00 22.10 H new ATOM 0 HB3 GLU B 7 1.786 -12.679 -11.222 1.00 22.10 H new ATOM 0 HG2 GLU B 7 3.943 -13.710 -12.989 1.00 20.44 H new ATOM 0 HG3 GLU B 7 2.443 -14.616 -13.028 1.00 20.44 H new ATOM 1138 N ALA B 8 3.036 -12.833 -8.365 1.00 22.40 N ATOM 1139 CA ALA B 8 2.598 -12.325 -7.071 1.00 3.34 C ATOM 1140 C ALA B 8 3.640 -11.389 -6.468 1.00 41.43 C ATOM 1141 O ALA B 8 3.308 -10.488 -5.699 1.00 14.11 O ATOM 1142 CB ALA B 8 2.309 -13.477 -6.121 1.00 45.31 C ATOM 0 H ALA B 8 3.020 -13.850 -8.446 1.00 22.40 H new ATOM 0 HA ALA B 8 1.681 -11.756 -7.224 1.00 3.34 H new ATOM 0 HB1 ALA B 8 1.983 -13.082 -5.159 1.00 45.31 H new ATOM 0 HB2 ALA B 8 1.524 -14.106 -6.540 1.00 45.31 H new ATOM 0 HB3 ALA B 8 3.213 -14.070 -5.982 1.00 45.31 H new ATOM 1148 N ALA B 9 4.902 -11.607 -6.823 1.00 64.51 N ATOM 1149 CA ALA B 9 5.993 -10.782 -6.318 1.00 72.34 C ATOM 1150 C ALA B 9 5.899 -9.359 -6.858 1.00 53.10 C ATOM 1151 O ALA B 9 6.124 -8.391 -6.129 1.00 23.51 O ATOM 1152 CB ALA B 9 7.334 -11.400 -6.682 1.00 62.31 C ATOM 0 H ALA B 9 5.194 -12.349 -7.459 1.00 64.51 H new ATOM 0 HA ALA B 9 5.910 -10.737 -5.232 1.00 72.34 H new ATOM 0 HB1 ALA B 9 8.139 -10.773 -6.299 1.00 62.31 H new ATOM 0 HB2 ALA B 9 7.407 -12.395 -6.242 1.00 62.31 H new ATOM 0 HB3 ALA B 9 7.418 -11.475 -7.766 1.00 62.31 H new ATOM 1158 N LYS B 10 5.566 -9.237 -8.139 1.00 33.34 N ATOM 1159 CA LYS B 10 5.442 -7.932 -8.776 1.00 1.45 C ATOM 1160 C LYS B 10 4.321 -7.119 -8.138 1.00 13.43 C ATOM 1161 O LYS B 10 4.396 -5.892 -8.062 1.00 1.52 O ATOM 1162 CB LYS B 10 5.178 -8.097 -10.274 1.00 44.30 C ATOM 1163 CG LYS B 10 6.094 -9.106 -10.947 1.00 54.13 C ATOM 1164 CD LYS B 10 6.767 -8.516 -12.174 1.00 3.14 C ATOM 1165 CE LYS B 10 5.961 -8.786 -13.436 1.00 22.14 C ATOM 1166 NZ LYS B 10 6.659 -8.293 -14.655 1.00 44.45 N ATOM 0 H LYS B 10 5.377 -10.027 -8.756 1.00 33.34 H new ATOM 0 HA LYS B 10 6.380 -7.396 -8.635 1.00 1.45 H new ATOM 0 HB2 LYS B 10 4.143 -8.405 -10.420 1.00 44.30 H new ATOM 0 HB3 LYS B 10 5.295 -7.130 -10.763 1.00 44.30 H new ATOM 0 HG2 LYS B 10 6.853 -9.438 -10.239 1.00 54.13 H new ATOM 0 HG3 LYS B 10 5.519 -9.986 -11.234 1.00 54.13 H new ATOM 0 HD2 LYS B 10 6.889 -7.441 -12.042 1.00 3.14 H new ATOM 0 HD3 LYS B 10 7.766 -8.939 -12.281 1.00 3.14 H new ATOM 0 HE2 LYS B 10 5.780 -9.857 -13.529 1.00 22.14 H new ATOM 0 HE3 LYS B 10 4.987 -8.304 -13.355 1.00 22.14 H new ATOM 0 HZ1 LYS B 10 6.078 -8.496 -15.494 1.00 44.45 H new ATOM 0 HZ2 LYS B 10 6.810 -7.267 -14.578 1.00 44.45 H new ATOM 0 HZ3 LYS B 10 7.578 -8.772 -14.747 1.00 44.45 H new ATOM 1180 N LEU B 11 3.283 -7.809 -7.679 1.00 4.24 N ATOM 1181 CA LEU B 11 2.146 -7.151 -7.045 1.00 64.03 C ATOM 1182 C LEU B 11 2.609 -6.216 -5.932 1.00 64.11 C ATOM 1183 O LEU B 11 2.135 -5.085 -5.819 1.00 23.22 O ATOM 1184 CB LEU B 11 1.177 -8.192 -6.482 1.00 1.24 C ATOM 1185 CG LEU B 11 0.604 -9.190 -7.490 1.00 3.31 C ATOM 1186 CD1 LEU B 11 -0.433 -10.081 -6.827 1.00 71.54 C ATOM 1187 CD2 LEU B 11 0.000 -8.458 -8.679 1.00 3.03 C ATOM 0 H LEU B 11 3.205 -8.825 -7.734 1.00 4.24 H new ATOM 0 HA LEU B 11 1.633 -6.558 -7.802 1.00 64.03 H new ATOM 0 HB2 LEU B 11 1.690 -8.751 -5.699 1.00 1.24 H new ATOM 0 HB3 LEU B 11 0.347 -7.668 -6.008 1.00 1.24 H new ATOM 0 HG LEU B 11 1.416 -9.821 -7.851 1.00 3.31 H new ATOM 0 HD11 LEU B 11 -0.830 -10.784 -7.559 1.00 71.54 H new ATOM 0 HD12 LEU B 11 0.030 -10.632 -6.008 1.00 71.54 H new ATOM 0 HD13 LEU B 11 -1.245 -9.467 -6.437 1.00 71.54 H new ATOM 0 HD21 LEU B 11 -0.403 -9.183 -9.386 1.00 3.03 H new ATOM 0 HD22 LEU B 11 -0.801 -7.803 -8.335 1.00 3.03 H new ATOM 0 HD23 LEU B 11 0.770 -7.862 -9.169 1.00 3.03 H new ATOM 1199 N PHE B 12 3.539 -6.696 -5.113 1.00 41.21 N ATOM 1200 CA PHE B 12 4.068 -5.903 -4.009 1.00 72.34 C ATOM 1201 C PHE B 12 5.008 -4.816 -4.521 1.00 2.35 C ATOM 1202 O PHE B 12 5.197 -3.788 -3.872 1.00 22.14 O ATOM 1203 CB PHE B 12 4.804 -6.802 -3.014 1.00 20.15 C ATOM 1204 CG PHE B 12 3.902 -7.764 -2.295 1.00 1.33 C ATOM 1205 CD1 PHE B 12 2.739 -7.321 -1.686 1.00 12.41 C ATOM 1206 CD2 PHE B 12 4.218 -9.111 -2.227 1.00 73.32 C ATOM 1207 CE1 PHE B 12 1.907 -8.204 -1.023 1.00 2.50 C ATOM 1208 CE2 PHE B 12 3.390 -9.999 -1.567 1.00 53.33 C ATOM 1209 CZ PHE B 12 2.233 -9.544 -0.963 1.00 33.01 C ATOM 0 H PHE B 12 3.942 -7.630 -5.193 1.00 41.21 H new ATOM 0 HA PHE B 12 3.229 -5.425 -3.504 1.00 72.34 H new ATOM 0 HB2 PHE B 12 5.573 -7.364 -3.544 1.00 20.15 H new ATOM 0 HB3 PHE B 12 5.314 -6.177 -2.281 1.00 20.15 H new ATOM 0 HD1 PHE B 12 2.479 -6.274 -1.730 1.00 12.41 H new ATOM 0 HD2 PHE B 12 5.122 -9.471 -2.695 1.00 73.32 H new ATOM 0 HE1 PHE B 12 1.003 -7.846 -0.553 1.00 2.50 H new ATOM 0 HE2 PHE B 12 3.647 -11.047 -1.523 1.00 53.33 H new ATOM 0 HZ PHE B 12 1.585 -10.236 -0.445 1.00 33.01 H new ATOM 1219 N GLU B 13 5.596 -5.052 -5.691 1.00 74.41 N ATOM 1220 CA GLU B 13 6.517 -4.095 -6.290 1.00 52.43 C ATOM 1221 C GLU B 13 5.843 -2.738 -6.481 1.00 23.04 C ATOM 1222 O GLU B 13 6.459 -1.693 -6.272 1.00 73.40 O ATOM 1223 CB GLU B 13 7.029 -4.617 -7.633 1.00 51.13 C ATOM 1224 CG GLU B 13 8.527 -4.449 -7.821 1.00 33.23 C ATOM 1225 CD GLU B 13 9.217 -5.747 -8.195 1.00 12.02 C ATOM 1226 OE1 GLU B 13 9.178 -6.117 -9.387 1.00 13.40 O ATOM 1227 OE2 GLU B 13 9.796 -6.392 -7.296 1.00 62.52 O ATOM 0 H GLU B 13 5.450 -5.898 -6.242 1.00 74.41 H new ATOM 0 HA GLU B 13 7.362 -3.970 -5.613 1.00 52.43 H new ATOM 0 HB2 GLU B 13 6.777 -5.674 -7.723 1.00 51.13 H new ATOM 0 HB3 GLU B 13 6.510 -4.096 -8.437 1.00 51.13 H new ATOM 0 HG2 GLU B 13 8.711 -3.707 -8.598 1.00 33.23 H new ATOM 0 HG3 GLU B 13 8.964 -4.062 -6.901 1.00 33.23 H new ATOM 1235 N GLU B 14 4.576 -2.765 -6.882 1.00 32.53 N ATOM 1236 CA GLU B 14 3.820 -1.538 -7.104 1.00 33.11 C ATOM 1237 C GLU B 14 3.416 -0.902 -5.778 1.00 53.42 C ATOM 1238 O GLU B 14 3.357 0.323 -5.658 1.00 31.34 O ATOM 1239 CB GLU B 14 2.575 -1.826 -7.946 1.00 70.11 C ATOM 1240 CG GLU B 14 2.844 -2.716 -9.147 1.00 0.42 C ATOM 1241 CD GLU B 14 1.879 -2.462 -10.289 1.00 52.42 C ATOM 1242 OE1 GLU B 14 0.661 -2.372 -10.026 1.00 3.40 O ATOM 1243 OE2 GLU B 14 2.341 -2.354 -11.444 1.00 30.20 O ATOM 0 H GLU B 14 4.052 -3.622 -7.060 1.00 32.53 H new ATOM 0 HA GLU B 14 4.459 -0.838 -7.642 1.00 33.11 H new ATOM 0 HB2 GLU B 14 1.822 -2.299 -7.316 1.00 70.11 H new ATOM 0 HB3 GLU B 14 2.154 -0.882 -8.291 1.00 70.11 H new ATOM 0 HG2 GLU B 14 3.864 -2.552 -9.495 1.00 0.42 H new ATOM 0 HG3 GLU B 14 2.775 -3.761 -8.843 1.00 0.42 H new ATOM 1251 N TRP B 15 3.136 -1.740 -4.787 1.00 21.03 N ATOM 1252 CA TRP B 15 2.736 -1.259 -3.469 1.00 32.44 C ATOM 1253 C TRP B 15 3.756 -0.268 -2.919 1.00 35.54 C ATOM 1254 O TRP B 15 3.396 0.807 -2.441 1.00 52.41 O ATOM 1255 CB TRP B 15 2.574 -2.434 -2.503 1.00 31.03 C ATOM 1256 CG TRP B 15 1.344 -3.250 -2.761 1.00 53.44 C ATOM 1257 CD1 TRP B 15 0.694 -3.399 -3.952 1.00 63.21 C ATOM 1258 CD2 TRP B 15 0.614 -4.025 -1.804 1.00 52.24 C ATOM 1259 NE1 TRP B 15 -0.395 -4.221 -3.794 1.00 62.22 N ATOM 1260 CE2 TRP B 15 -0.466 -4.619 -2.486 1.00 42.15 C ATOM 1261 CE3 TRP B 15 0.767 -4.276 -0.438 1.00 0.03 C ATOM 1262 CZ2 TRP B 15 -1.385 -5.447 -1.846 1.00 22.32 C ATOM 1263 CZ3 TRP B 15 -0.145 -5.098 0.195 1.00 62.15 C ATOM 1264 CH2 TRP B 15 -1.211 -5.676 -0.508 1.00 24.22 C ATOM 0 H TRP B 15 3.178 -2.756 -4.870 1.00 21.03 H new ATOM 0 HA TRP B 15 1.779 -0.747 -3.570 1.00 32.44 H new ATOM 0 HB2 TRP B 15 3.450 -3.078 -2.576 1.00 31.03 H new ATOM 0 HB3 TRP B 15 2.541 -2.054 -1.482 1.00 31.03 H new ATOM 0 HD1 TRP B 15 0.992 -2.938 -4.882 1.00 63.21 H new ATOM 0 HE1 TRP B 15 -1.045 -4.491 -4.532 1.00 62.22 H new ATOM 0 HE3 TRP B 15 1.584 -3.835 0.113 1.00 0.03 H new ATOM 0 HZ2 TRP B 15 -2.207 -5.893 -2.387 1.00 22.32 H new ATOM 0 HZ3 TRP B 15 -0.035 -5.299 1.250 1.00 62.15 H new ATOM 0 HH2 TRP B 15 -1.908 -6.314 0.016 1.00 24.22 H new ATOM 1275 N LYS B 16 5.031 -0.638 -2.987 1.00 74.40 N ATOM 1276 CA LYS B 16 6.104 0.219 -2.497 1.00 32.42 C ATOM 1277 C LYS B 16 6.392 1.348 -3.482 1.00 35.45 C ATOM 1278 O LYS B 16 6.898 2.403 -3.101 1.00 10.24 O ATOM 1279 CB LYS B 16 7.373 -0.604 -2.262 1.00 53.03 C ATOM 1280 CG LYS B 16 8.596 0.242 -1.953 1.00 33.15 C ATOM 1281 CD LYS B 16 9.493 0.389 -3.170 1.00 1.34 C ATOM 1282 CE LYS B 16 10.477 1.537 -3.002 1.00 52.20 C ATOM 1283 NZ LYS B 16 11.232 1.438 -1.722 1.00 4.13 N ATOM 0 H LYS B 16 5.346 -1.526 -3.377 1.00 74.40 H new ATOM 0 HA LYS B 16 5.783 0.659 -1.553 1.00 32.42 H new ATOM 0 HB2 LYS B 16 7.201 -1.295 -1.436 1.00 53.03 H new ATOM 0 HB3 LYS B 16 7.573 -1.208 -3.147 1.00 53.03 H new ATOM 0 HG2 LYS B 16 8.281 1.228 -1.611 1.00 33.15 H new ATOM 0 HG3 LYS B 16 9.158 -0.214 -1.138 1.00 33.15 H new ATOM 0 HD2 LYS B 16 10.040 -0.539 -3.334 1.00 1.34 H new ATOM 0 HD3 LYS B 16 8.881 0.560 -4.056 1.00 1.34 H new ATOM 0 HE2 LYS B 16 11.177 1.540 -3.837 1.00 52.20 H new ATOM 0 HE3 LYS B 16 9.939 2.484 -3.034 1.00 52.20 H new ATOM 0 HZ1 LYS B 16 12.045 2.086 -1.747 1.00 4.13 H new ATOM 0 HZ2 LYS B 16 10.609 1.696 -0.930 1.00 4.13 H new ATOM 0 HZ3 LYS B 16 11.570 0.463 -1.593 1.00 4.13 H new ATOM 1297 N LYS B 17 6.064 1.119 -4.749 1.00 32.21 N ATOM 1298 CA LYS B 17 6.285 2.117 -5.788 1.00 40.52 C ATOM 1299 C LYS B 17 5.318 3.287 -5.634 1.00 71.02 C ATOM 1300 O LYS B 17 5.714 4.450 -5.721 1.00 34.14 O ATOM 1301 CB LYS B 17 6.122 1.486 -7.172 1.00 23.10 C ATOM 1302 CG LYS B 17 7.291 1.752 -8.104 1.00 13.51 C ATOM 1303 CD LYS B 17 7.936 0.459 -8.574 1.00 63.41 C ATOM 1304 CE LYS B 17 9.328 0.701 -9.136 1.00 2.43 C ATOM 1305 NZ LYS B 17 9.296 0.977 -10.599 1.00 72.21 N ATOM 0 H LYS B 17 5.644 0.251 -5.081 1.00 32.21 H new ATOM 0 HA LYS B 17 7.303 2.494 -5.684 1.00 40.52 H new ATOM 0 HB2 LYS B 17 5.997 0.409 -7.058 1.00 23.10 H new ATOM 0 HB3 LYS B 17 5.209 1.867 -7.630 1.00 23.10 H new ATOM 0 HG2 LYS B 17 6.947 2.322 -8.967 1.00 13.51 H new ATOM 0 HG3 LYS B 17 8.033 2.365 -7.592 1.00 13.51 H new ATOM 0 HD2 LYS B 17 7.996 -0.242 -7.742 1.00 63.41 H new ATOM 0 HD3 LYS B 17 7.310 -0.004 -9.337 1.00 63.41 H new ATOM 0 HE2 LYS B 17 9.787 1.543 -8.618 1.00 2.43 H new ATOM 0 HE3 LYS B 17 9.953 -0.171 -8.945 1.00 2.43 H new ATOM 0 HZ1 LYS B 17 10.264 1.136 -10.943 1.00 72.21 H new ATOM 0 HZ2 LYS B 17 8.881 0.164 -11.097 1.00 72.21 H new ATOM 0 HZ3 LYS B 17 8.720 1.824 -10.780 1.00 72.21 H new ATOM 1319 N LEU B 18 4.048 2.971 -5.403 1.00 55.23 N ATOM 1320 CA LEU B 18 3.024 3.996 -5.233 1.00 64.11 C ATOM 1321 C LEU B 18 3.414 4.980 -4.135 1.00 60.52 C ATOM 1322 O LEU B 18 2.991 6.135 -4.145 1.00 52.41 O ATOM 1323 CB LEU B 18 1.677 3.350 -4.902 1.00 44.42 C ATOM 1324 CG LEU B 18 1.058 2.488 -6.001 1.00 64.32 C ATOM 1325 CD1 LEU B 18 0.431 1.236 -5.408 1.00 21.23 C ATOM 1326 CD2 LEU B 18 0.024 3.284 -6.785 1.00 72.33 C ATOM 0 H LEU B 18 3.703 2.014 -5.329 1.00 55.23 H new ATOM 0 HA LEU B 18 2.936 4.545 -6.171 1.00 64.11 H new ATOM 0 HB2 LEU B 18 1.801 2.734 -4.012 1.00 44.42 H new ATOM 0 HB3 LEU B 18 0.971 4.140 -4.647 1.00 44.42 H new ATOM 0 HG LEU B 18 1.849 2.184 -6.686 1.00 64.32 H new ATOM 0 HD11 LEU B 18 -0.005 0.635 -6.206 1.00 21.23 H new ATOM 0 HD12 LEU B 18 1.196 0.655 -4.892 1.00 21.23 H new ATOM 0 HD13 LEU B 18 -0.348 1.519 -4.700 1.00 21.23 H new ATOM 0 HD21 LEU B 18 -0.406 2.654 -7.564 1.00 72.33 H new ATOM 0 HD22 LEU B 18 -0.765 3.618 -6.111 1.00 72.33 H new ATOM 0 HD23 LEU B 18 0.502 4.150 -7.242 1.00 72.33 H new ATOM 1338 N ALA B 19 4.223 4.514 -3.190 1.00 62.41 N ATOM 1339 CA ALA B 19 4.673 5.353 -2.087 1.00 11.01 C ATOM 1340 C ALA B 19 5.506 6.526 -2.594 1.00 1.03 C ATOM 1341 O ALA B 19 5.519 7.596 -1.989 1.00 41.41 O ATOM 1342 CB ALA B 19 5.472 4.528 -1.089 1.00 12.34 C ATOM 0 H ALA B 19 4.580 3.559 -3.166 1.00 62.41 H new ATOM 0 HA ALA B 19 3.793 5.756 -1.586 1.00 11.01 H new ATOM 0 HB1 ALA B 19 5.802 5.167 -0.270 1.00 12.34 H new ATOM 0 HB2 ALA B 19 4.846 3.728 -0.695 1.00 12.34 H new ATOM 0 HB3 ALA B 19 6.341 4.097 -1.586 1.00 12.34 H new ATOM 1348 N GLU B 20 6.201 6.314 -3.708 1.00 3.51 N ATOM 1349 CA GLU B 20 7.038 7.355 -4.294 1.00 72.41 C ATOM 1350 C GLU B 20 6.186 8.508 -4.817 1.00 11.31 C ATOM 1351 O GLU B 20 6.454 9.673 -4.523 1.00 22.44 O ATOM 1352 CB GLU B 20 7.886 6.778 -5.430 1.00 32.44 C ATOM 1353 CG GLU B 20 8.624 5.504 -5.051 1.00 43.30 C ATOM 1354 CD GLU B 20 9.478 4.968 -6.183 1.00 30.42 C ATOM 1355 OE1 GLU B 20 10.135 3.923 -5.987 1.00 54.33 O ATOM 1356 OE2 GLU B 20 9.491 5.591 -7.265 1.00 25.40 O ATOM 0 H GLU B 20 6.201 5.433 -4.222 1.00 3.51 H new ATOM 0 HA GLU B 20 7.697 7.737 -3.515 1.00 72.41 H new ATOM 0 HB2 GLU B 20 7.242 6.574 -6.286 1.00 32.44 H new ATOM 0 HB3 GLU B 20 8.611 7.527 -5.748 1.00 32.44 H new ATOM 0 HG2 GLU B 20 9.256 5.698 -4.184 1.00 43.30 H new ATOM 0 HG3 GLU B 20 7.901 4.744 -4.754 1.00 43.30 H new ATOM 1364 N GLU B 21 5.159 8.174 -5.592 1.00 11.13 N ATOM 1365 CA GLU B 21 4.270 9.181 -6.156 1.00 44.32 C ATOM 1366 C GLU B 21 3.339 9.747 -5.086 1.00 22.20 C ATOM 1367 O GLU B 21 2.939 10.909 -5.148 1.00 63.55 O ATOM 1368 CB GLU B 21 3.447 8.585 -7.299 1.00 64.33 C ATOM 1369 CG GLU B 21 4.288 7.889 -8.358 1.00 12.51 C ATOM 1370 CD GLU B 21 4.261 8.611 -9.690 1.00 4.11 C ATOM 1371 OE1 GLU B 21 4.575 9.819 -9.718 1.00 53.45 O ATOM 1372 OE2 GLU B 21 3.928 7.967 -10.708 1.00 11.23 O ATOM 0 H GLU B 21 4.923 7.214 -5.843 1.00 11.13 H new ATOM 0 HA GLU B 21 4.884 9.993 -6.545 1.00 44.32 H new ATOM 0 HB2 GLU B 21 2.733 7.871 -6.888 1.00 64.33 H new ATOM 0 HB3 GLU B 21 2.868 9.379 -7.771 1.00 64.33 H new ATOM 0 HG2 GLU B 21 5.318 7.816 -8.009 1.00 12.51 H new ATOM 0 HG3 GLU B 21 3.925 6.870 -8.494 1.00 12.51 H new ATOM 1380 N ALA B 22 3.000 8.916 -4.107 1.00 24.42 N ATOM 1381 CA ALA B 22 2.119 9.331 -3.023 1.00 71.23 C ATOM 1382 C ALA B 22 2.856 10.218 -2.025 1.00 2.22 C ATOM 1383 O ALA B 22 2.261 11.096 -1.403 1.00 72.52 O ATOM 1384 CB ALA B 22 1.537 8.114 -2.320 1.00 62.53 C ATOM 0 H ALA B 22 3.322 7.950 -4.042 1.00 24.42 H new ATOM 0 HA ALA B 22 1.304 9.913 -3.454 1.00 71.23 H new ATOM 0 HB1 ALA B 22 0.881 8.439 -1.513 1.00 62.53 H new ATOM 0 HB2 ALA B 22 0.967 7.520 -3.034 1.00 62.53 H new ATOM 0 HB3 ALA B 22 2.346 7.510 -1.909 1.00 62.53 H new ATOM 1390 N ALA B 23 4.156 9.982 -1.880 1.00 75.01 N ATOM 1391 CA ALA B 23 4.975 10.760 -0.958 1.00 42.44 C ATOM 1392 C ALA B 23 5.178 12.182 -1.473 1.00 55.22 C ATOM 1393 O ALA B 23 4.936 13.154 -0.755 1.00 22.33 O ATOM 1394 CB ALA B 23 6.317 10.079 -0.740 1.00 23.22 C ATOM 0 H ALA B 23 4.664 9.259 -2.389 1.00 75.01 H new ATOM 0 HA ALA B 23 4.451 10.817 -0.004 1.00 42.44 H new ATOM 0 HB1 ALA B 23 6.918 10.671 -0.050 1.00 23.22 H new ATOM 0 HB2 ALA B 23 6.157 9.085 -0.321 1.00 23.22 H new ATOM 0 HB3 ALA B 23 6.840 9.992 -1.693 1.00 23.22 H new ATOM 1400 N LYS B 24 5.625 12.298 -2.718 1.00 24.21 N ATOM 1401 CA LYS B 24 5.861 13.600 -3.329 1.00 51.51 C ATOM 1402 C LYS B 24 4.566 14.403 -3.418 1.00 33.24 C ATOM 1403 O LYS B 24 4.565 15.620 -3.233 1.00 35.11 O ATOM 1404 CB LYS B 24 6.464 13.429 -4.726 1.00 54.22 C ATOM 1405 CG LYS B 24 5.625 12.562 -5.649 1.00 13.45 C ATOM 1406 CD LYS B 24 4.754 13.404 -6.566 1.00 15.24 C ATOM 1407 CE LYS B 24 5.579 14.083 -7.648 1.00 21.24 C ATOM 1408 NZ LYS B 24 5.019 13.841 -9.007 1.00 12.31 N ATOM 0 H LYS B 24 5.832 11.505 -3.325 1.00 24.21 H new ATOM 0 HA LYS B 24 6.564 14.146 -2.700 1.00 51.51 H new ATOM 0 HB2 LYS B 24 6.591 14.412 -5.180 1.00 54.22 H new ATOM 0 HB3 LYS B 24 7.457 12.990 -4.633 1.00 54.22 H new ATOM 0 HG2 LYS B 24 6.279 11.928 -6.248 1.00 13.45 H new ATOM 0 HG3 LYS B 24 4.995 11.900 -5.055 1.00 13.45 H new ATOM 0 HD2 LYS B 24 3.994 12.774 -7.028 1.00 15.24 H new ATOM 0 HD3 LYS B 24 4.229 14.158 -5.980 1.00 15.24 H new ATOM 0 HE2 LYS B 24 5.617 15.155 -7.457 1.00 21.24 H new ATOM 0 HE3 LYS B 24 6.604 13.716 -7.607 1.00 21.24 H new ATOM 0 HZ1 LYS B 24 5.610 14.320 -9.716 1.00 12.31 H new ATOM 0 HZ2 LYS B 24 5.006 12.819 -9.200 1.00 12.31 H new ATOM 0 HZ3 LYS B 24 4.049 14.214 -9.055 1.00 12.31 H new ATOM 1422 N LEU B 25 3.467 13.712 -3.699 1.00 41.34 N ATOM 1423 CA LEU B 25 2.165 14.361 -3.811 1.00 74.14 C ATOM 1424 C LEU B 25 1.599 14.686 -2.431 1.00 64.30 C ATOM 1425 O LEU B 25 0.959 15.720 -2.239 1.00 11.41 O ATOM 1426 CB LEU B 25 1.190 13.464 -4.576 1.00 43.22 C ATOM 1427 CG LEU B 25 1.184 13.624 -6.097 1.00 40.14 C ATOM 1428 CD1 LEU B 25 0.160 12.694 -6.727 1.00 62.42 C ATOM 1429 CD2 LEU B 25 0.900 15.070 -6.479 1.00 24.14 C ATOM 0 H LEU B 25 3.451 12.704 -3.853 1.00 41.34 H new ATOM 0 HA LEU B 25 2.297 15.294 -4.359 1.00 74.14 H new ATOM 0 HB2 LEU B 25 1.422 12.425 -4.341 1.00 43.22 H new ATOM 0 HB3 LEU B 25 0.183 13.657 -4.206 1.00 43.22 H new ATOM 0 HG LEU B 25 2.170 13.355 -6.476 1.00 40.14 H new ATOM 0 HD11 LEU B 25 0.170 12.822 -7.809 1.00 62.42 H new ATOM 0 HD12 LEU B 25 0.407 11.661 -6.481 1.00 62.42 H new ATOM 0 HD13 LEU B 25 -0.832 12.931 -6.343 1.00 62.42 H new ATOM 0 HD21 LEU B 25 0.899 15.166 -7.565 1.00 24.14 H new ATOM 0 HD22 LEU B 25 -0.074 15.365 -6.088 1.00 24.14 H new ATOM 0 HD23 LEU B 25 1.671 15.716 -6.058 1.00 24.14 H new ATOM 1441 N LEU B 26 1.840 13.796 -1.475 1.00 71.13 N ATOM 1442 CA LEU B 26 1.356 13.989 -0.113 1.00 15.00 C ATOM 1443 C LEU B 26 1.727 15.374 0.407 1.00 31.11 C ATOM 1444 O LEU B 26 0.890 16.084 0.962 1.00 74.52 O ATOM 1445 CB LEU B 26 1.932 12.914 0.812 1.00 62.31 C ATOM 1446 CG LEU B 26 1.005 11.742 1.137 1.00 5.13 C ATOM 1447 CD1 LEU B 26 1.814 10.521 1.547 1.00 23.24 C ATOM 1448 CD2 LEU B 26 0.023 12.126 2.234 1.00 4.55 C ATOM 0 H LEU B 26 2.367 12.934 -1.618 1.00 71.13 H new ATOM 0 HA LEU B 26 0.269 13.905 -0.126 1.00 15.00 H new ATOM 0 HB2 LEU B 26 2.839 12.518 0.355 1.00 62.31 H new ATOM 0 HB3 LEU B 26 2.227 13.388 1.748 1.00 62.31 H new ATOM 0 HG LEU B 26 0.437 11.493 0.240 1.00 5.13 H new ATOM 0 HD11 LEU B 26 1.138 9.697 1.775 1.00 23.24 H new ATOM 0 HD12 LEU B 26 2.476 10.233 0.731 1.00 23.24 H new ATOM 0 HD13 LEU B 26 2.408 10.758 2.430 1.00 23.24 H new ATOM 0 HD21 LEU B 26 -0.628 11.280 2.452 1.00 4.55 H new ATOM 0 HD22 LEU B 26 0.573 12.402 3.134 1.00 4.55 H new ATOM 0 HD23 LEU B 26 -0.580 12.972 1.903 1.00 4.55 H new ATOM 1460 N GLU B 27 2.988 15.752 0.220 1.00 45.20 N ATOM 1461 CA GLU B 27 3.469 17.053 0.668 1.00 12.14 C ATOM 1462 C GLU B 27 3.449 18.064 -0.474 1.00 65.01 C ATOM 1463 O GLU B 27 4.021 19.149 -0.369 1.00 75.13 O ATOM 1464 CB GLU B 27 4.887 16.931 1.230 1.00 15.23 C ATOM 1465 CG GLU B 27 5.069 15.753 2.173 1.00 22.13 C ATOM 1466 CD GLU B 27 6.100 16.023 3.251 1.00 34.04 C ATOM 1467 OE1 GLU B 27 5.907 15.544 4.389 1.00 51.15 O ATOM 1468 OE2 GLU B 27 7.099 16.712 2.960 1.00 3.14 O ATOM 0 H GLU B 27 3.694 15.176 -0.238 1.00 45.20 H new ATOM 0 HA GLU B 27 2.802 17.406 1.455 1.00 12.14 H new ATOM 0 HB2 GLU B 27 5.590 16.835 0.402 1.00 15.23 H new ATOM 0 HB3 GLU B 27 5.140 17.851 1.758 1.00 15.23 H new ATOM 0 HG2 GLU B 27 4.113 15.516 2.641 1.00 22.13 H new ATOM 0 HG3 GLU B 27 5.370 14.876 1.599 1.00 22.13 H new ATOM 1476 N GLY B 28 2.786 17.700 -1.568 1.00 2.33 N ATOM 1477 CA GLY B 28 2.703 18.585 -2.715 1.00 0.20 C ATOM 1478 C GLY B 28 2.043 19.908 -2.380 1.00 33.24 C ATOM 1479 O GLY B 28 2.117 20.860 -3.155 1.00 12.34 O ATOM 0 H GLY B 28 2.305 16.808 -1.680 1.00 2.33 H new ATOM 0 HA2 GLY B 28 3.706 18.770 -3.101 1.00 0.20 H new ATOM 0 HA3 GLY B 28 2.142 18.093 -3.510 1.00 0.20 H new ATOM 1483 N GLY B 29 1.393 19.966 -1.222 1.00 44.33 N ATOM 1484 CA GLY B 29 0.724 21.186 -0.808 1.00 74.23 C ATOM 1485 C GLY B 29 -0.548 20.914 -0.029 1.00 63.10 C ATOM 1486 O GLY B 29 -1.602 21.470 -0.335 1.00 21.11 O ATOM 0 H GLY B 29 1.318 19.191 -0.563 1.00 44.33 H new ATOM 0 HA2 GLY B 29 1.403 21.779 -0.194 1.00 74.23 H new ATOM 0 HA3 GLY B 29 0.487 21.783 -1.688 1.00 74.23 H new ATOM 1490 N GLY B 30 -0.450 20.054 0.980 1.00 54.41 N ATOM 1491 CA GLY B 30 -1.610 19.724 1.787 1.00 75.22 C ATOM 1492 C GLY B 30 -1.476 20.204 3.220 1.00 43.24 C ATOM 1493 O GLY B 30 -2.471 20.510 3.875 1.00 23.33 O ATOM 0 H GLY B 30 0.411 19.580 1.253 1.00 54.41 H new ATOM 0 HA2 GLY B 30 -2.499 20.169 1.340 1.00 75.22 H new ATOM 0 HA3 GLY B 30 -1.757 18.644 1.781 1.00 75.22 H new ATOM 1497 N GLY B 31 -0.241 20.269 3.707 1.00 0.42 N ATOM 1498 CA GLY B 31 -0.003 20.715 5.067 1.00 33.14 C ATOM 1499 C GLY B 31 1.323 20.225 5.614 1.00 20.42 C ATOM 1500 O GLY B 31 1.963 20.906 6.414 1.00 31.51 O ATOM 0 H GLY B 31 0.599 20.021 3.184 1.00 0.42 H new ATOM 0 HA2 GLY B 31 -0.025 21.804 5.098 1.00 33.14 H new ATOM 0 HA3 GLY B 31 -0.810 20.361 5.709 1.00 33.14 H new ATOM 1504 N GLY B 32 1.738 19.037 5.183 1.00 63.35 N ATOM 1505 CA GLY B 32 2.993 18.475 5.647 1.00 62.03 C ATOM 1506 C GLY B 32 2.923 18.013 7.089 1.00 3.53 C ATOM 1507 O GLY B 32 1.965 17.357 7.493 1.00 43.24 O ATOM 0 H GLY B 32 1.227 18.454 4.520 1.00 63.35 H new ATOM 0 HA2 GLY B 32 3.267 17.633 5.012 1.00 62.03 H new ATOM 0 HA3 GLY B 32 3.781 19.221 5.545 1.00 62.03 H new ATOM 1511 N GLY B 33 3.945 18.355 7.868 1.00 44.41 N ATOM 1512 CA GLY B 33 3.978 17.962 9.264 1.00 54.13 C ATOM 1513 C GLY B 33 5.388 17.900 9.816 1.00 2.02 C ATOM 1514 O GLY B 33 5.772 18.716 10.652 1.00 53.22 O ATOM 0 H GLY B 33 4.751 18.897 7.557 1.00 44.41 H new ATOM 0 HA2 GLY B 33 3.392 18.669 9.851 1.00 54.13 H new ATOM 0 HA3 GLY B 33 3.505 16.986 9.375 1.00 54.13 H new ATOM 1518 N GLY B 34 6.162 16.925 9.348 1.00 11.21 N ATOM 1519 CA GLY B 34 7.529 16.777 9.813 1.00 71.41 C ATOM 1520 C GLY B 34 7.621 15.968 11.093 1.00 4.44 C ATOM 1521 O GLY B 34 8.165 16.435 12.093 1.00 63.41 O ATOM 0 H GLY B 34 5.867 16.236 8.656 1.00 11.21 H new ATOM 0 HA2 GLY B 34 8.123 16.294 9.038 1.00 71.41 H new ATOM 0 HA3 GLY B 34 7.962 17.763 9.978 1.00 71.41 H new ATOM 1525 N GLY B 35 7.087 14.751 11.062 1.00 74.21 N ATOM 1526 CA GLY B 35 7.120 13.896 12.234 1.00 11.52 C ATOM 1527 C GLY B 35 6.509 12.534 11.977 1.00 63.45 C ATOM 1528 O GLY B 35 6.732 11.936 10.925 1.00 20.55 O ATOM 0 H GLY B 35 6.632 14.342 10.246 1.00 74.21 H new ATOM 0 HA2 GLY B 35 8.153 13.772 12.560 1.00 11.52 H new ATOM 0 HA3 GLY B 35 6.585 14.382 13.050 1.00 11.52 H new ATOM 1532 N GLU B 36 5.734 12.042 12.939 1.00 51.50 N ATOM 1533 CA GLU B 36 5.091 10.740 12.810 1.00 74.01 C ATOM 1534 C GLU B 36 4.054 10.753 11.692 1.00 43.54 C ATOM 1535 O GLU B 36 3.604 9.703 11.233 1.00 12.10 O ATOM 1536 CB GLU B 36 4.428 10.342 14.131 1.00 32.32 C ATOM 1537 CG GLU B 36 3.083 11.010 14.363 1.00 2.23 C ATOM 1538 CD GLU B 36 2.907 11.488 15.791 1.00 33.33 C ATOM 1539 OE1 GLU B 36 3.745 12.290 16.255 1.00 73.33 O ATOM 1540 OE2 GLU B 36 1.934 11.059 16.445 1.00 71.11 O ATOM 0 H GLU B 36 5.537 12.525 13.815 1.00 51.50 H new ATOM 0 HA GLU B 36 5.859 10.007 12.561 1.00 74.01 H new ATOM 0 HB2 GLU B 36 4.295 9.260 14.149 1.00 32.32 H new ATOM 0 HB3 GLU B 36 5.097 10.595 14.954 1.00 32.32 H new ATOM 0 HG2 GLU B 36 2.981 11.857 13.685 1.00 2.23 H new ATOM 0 HG3 GLU B 36 2.286 10.308 14.118 1.00 2.23 H new ATOM 1548 N LEU B 37 3.677 11.951 11.256 1.00 14.54 N ATOM 1549 CA LEU B 37 2.692 12.103 10.191 1.00 52.43 C ATOM 1550 C LEU B 37 3.091 11.295 8.961 1.00 14.30 C ATOM 1551 O LEU B 37 2.353 10.415 8.519 1.00 41.10 O ATOM 1552 CB LEU B 37 2.540 13.579 9.818 1.00 75.13 C ATOM 1553 CG LEU B 37 1.762 13.869 8.534 1.00 43.42 C ATOM 1554 CD1 LEU B 37 0.552 14.742 8.828 1.00 50.31 C ATOM 1555 CD2 LEU B 37 2.664 14.534 7.504 1.00 52.53 C ATOM 0 H LEU B 37 4.039 12.831 11.624 1.00 14.54 H new ATOM 0 HA LEU B 37 1.737 11.726 10.556 1.00 52.43 H new ATOM 0 HB2 LEU B 37 2.046 14.093 10.643 1.00 75.13 H new ATOM 0 HB3 LEU B 37 3.535 14.013 9.722 1.00 75.13 H new ATOM 0 HG LEU B 37 1.410 12.923 8.123 1.00 43.42 H new ATOM 0 HD11 LEU B 37 0.011 14.938 7.902 1.00 50.31 H new ATOM 0 HD12 LEU B 37 -0.105 14.229 9.531 1.00 50.31 H new ATOM 0 HD13 LEU B 37 0.881 15.686 9.262 1.00 50.31 H new ATOM 0 HD21 LEU B 37 2.094 14.733 6.596 1.00 52.53 H new ATOM 0 HD22 LEU B 37 3.046 15.472 7.906 1.00 52.53 H new ATOM 0 HD23 LEU B 37 3.499 13.873 7.271 1.00 52.53 H new ATOM 1567 N MET B 38 4.264 11.598 8.415 1.00 61.10 N ATOM 1568 CA MET B 38 4.763 10.896 7.238 1.00 60.32 C ATOM 1569 C MET B 38 5.109 9.449 7.573 1.00 71.44 C ATOM 1570 O MET B 38 5.015 8.563 6.723 1.00 44.45 O ATOM 1571 CB MET B 38 5.993 11.610 6.675 1.00 11.31 C ATOM 1572 CG MET B 38 6.707 10.824 5.588 1.00 32.04 C ATOM 1573 SD MET B 38 8.163 11.679 4.955 1.00 43.23 S ATOM 1574 CE MET B 38 7.401 13.057 4.101 1.00 12.34 C ATOM 0 H MET B 38 4.887 12.325 8.768 1.00 61.10 H new ATOM 0 HA MET B 38 3.975 10.897 6.485 1.00 60.32 H new ATOM 0 HB2 MET B 38 5.690 12.577 6.273 1.00 11.31 H new ATOM 0 HB3 MET B 38 6.692 11.808 7.488 1.00 11.31 H new ATOM 0 HG2 MET B 38 7.004 9.853 5.983 1.00 32.04 H new ATOM 0 HG3 MET B 38 6.015 10.636 4.767 1.00 32.04 H new ATOM 0 HE1 MET B 38 7.656 13.015 3.042 1.00 12.34 H new ATOM 0 HE2 MET B 38 6.318 13.003 4.216 1.00 12.34 H new ATOM 0 HE3 MET B 38 7.764 13.993 4.525 1.00 12.34 H new ATOM 1584 N LYS B 39 5.511 9.215 8.818 1.00 62.42 N ATOM 1585 CA LYS B 39 5.870 7.875 9.268 1.00 4.14 C ATOM 1586 C LYS B 39 4.713 6.903 9.062 1.00 21.13 C ATOM 1587 O LYS B 39 4.923 5.712 8.830 1.00 42.12 O ATOM 1588 CB LYS B 39 6.272 7.901 10.744 1.00 23.14 C ATOM 1589 CG LYS B 39 6.370 6.522 11.371 1.00 74.11 C ATOM 1590 CD LYS B 39 5.183 6.236 12.276 1.00 72.20 C ATOM 1591 CE LYS B 39 5.569 5.325 13.432 1.00 70.13 C ATOM 1592 NZ LYS B 39 5.919 6.098 14.655 1.00 45.54 N ATOM 0 H LYS B 39 5.596 9.937 9.534 1.00 62.42 H new ATOM 0 HA LYS B 39 6.717 7.534 8.673 1.00 4.14 H new ATOM 0 HB2 LYS B 39 7.234 8.404 10.841 1.00 23.14 H new ATOM 0 HB3 LYS B 39 5.545 8.493 11.300 1.00 23.14 H new ATOM 0 HG2 LYS B 39 6.421 5.767 10.586 1.00 74.11 H new ATOM 0 HG3 LYS B 39 7.293 6.447 11.946 1.00 74.11 H new ATOM 0 HD2 LYS B 39 4.788 7.174 12.667 1.00 72.20 H new ATOM 0 HD3 LYS B 39 4.386 5.771 11.696 1.00 72.20 H new ATOM 0 HE2 LYS B 39 4.743 4.650 13.654 1.00 70.13 H new ATOM 0 HE3 LYS B 39 6.417 4.706 13.139 1.00 70.13 H new ATOM 0 HZ1 LYS B 39 6.176 5.441 15.419 1.00 45.54 H new ATOM 0 HZ2 LYS B 39 6.724 6.724 14.451 1.00 45.54 H new ATOM 0 HZ3 LYS B 39 5.102 6.670 14.950 1.00 45.54 H new ATOM 1606 N LEU B 40 3.491 7.418 9.146 1.00 11.43 N ATOM 1607 CA LEU B 40 2.300 6.596 8.968 1.00 54.33 C ATOM 1608 C LEU B 40 2.132 6.190 7.507 1.00 3.41 C ATOM 1609 O LEU B 40 1.810 5.041 7.205 1.00 31.03 O ATOM 1610 CB LEU B 40 1.058 7.351 9.445 1.00 50.30 C ATOM 1611 CG LEU B 40 0.803 7.339 10.952 1.00 74.02 C ATOM 1612 CD1 LEU B 40 -0.264 8.358 11.321 1.00 14.24 C ATOM 1613 CD2 LEU B 40 0.396 5.947 11.413 1.00 63.24 C ATOM 0 H LEU B 40 3.299 8.402 9.336 1.00 11.43 H new ATOM 0 HA LEU B 40 2.420 5.693 9.566 1.00 54.33 H new ATOM 0 HB2 LEU B 40 1.140 8.388 9.119 1.00 50.30 H new ATOM 0 HB3 LEU B 40 0.186 6.928 8.946 1.00 50.30 H new ATOM 0 HG LEU B 40 1.728 7.612 11.460 1.00 74.02 H new ATOM 0 HD11 LEU B 40 -0.432 8.335 12.398 1.00 14.24 H new ATOM 0 HD12 LEU B 40 0.067 9.354 11.026 1.00 14.24 H new ATOM 0 HD13 LEU B 40 -1.192 8.116 10.804 1.00 14.24 H new ATOM 0 HD21 LEU B 40 0.219 5.957 12.488 1.00 63.24 H new ATOM 0 HD22 LEU B 40 -0.516 5.645 10.898 1.00 63.24 H new ATOM 0 HD23 LEU B 40 1.193 5.240 11.184 1.00 63.24 H new ATOM 1625 N CYS B 41 2.354 7.140 6.605 1.00 13.43 N ATOM 1626 CA CYS B 41 2.230 6.881 5.176 1.00 50.22 C ATOM 1627 C CYS B 41 3.419 6.075 4.663 1.00 21.12 C ATOM 1628 O CYS B 41 3.297 5.314 3.703 1.00 43.42 O ATOM 1629 CB CYS B 41 2.120 8.198 4.405 1.00 12.43 C ATOM 1630 SG CYS B 41 0.871 9.332 5.057 1.00 22.44 S ATOM 0 H CYS B 41 2.621 8.096 6.839 1.00 13.43 H new ATOM 0 HA CYS B 41 1.323 6.298 5.016 1.00 50.22 H new ATOM 0 HB2 CYS B 41 3.089 8.696 4.417 1.00 12.43 H new ATOM 0 HB3 CYS B 41 1.888 7.978 3.363 1.00 12.43 H new ATOM 0 HG CYS B 41 0.854 10.417 4.341 1.00 22.44 H new ATOM 1636 N GLU B 42 4.567 6.249 5.309 1.00 3.21 N ATOM 1637 CA GLU B 42 5.779 5.540 4.915 1.00 15.55 C ATOM 1638 C GLU B 42 5.635 4.040 5.158 1.00 62.24 C ATOM 1639 O GLU B 42 6.287 3.229 4.501 1.00 15.54 O ATOM 1640 CB GLU B 42 6.985 6.078 5.687 1.00 11.54 C ATOM 1641 CG GLU B 42 8.246 6.191 4.846 1.00 62.04 C ATOM 1642 CD GLU B 42 9.234 5.074 5.123 1.00 44.11 C ATOM 1643 OE1 GLU B 42 9.811 5.054 6.230 1.00 60.13 O ATOM 1644 OE2 GLU B 42 9.430 4.221 4.233 1.00 23.20 O ATOM 0 H GLU B 42 4.684 6.874 6.107 1.00 3.21 H new ATOM 0 HA GLU B 42 5.935 5.705 3.849 1.00 15.55 H new ATOM 0 HB2 GLU B 42 6.739 7.060 6.091 1.00 11.54 H new ATOM 0 HB3 GLU B 42 7.183 5.425 6.537 1.00 11.54 H new ATOM 0 HG2 GLU B 42 7.976 6.179 3.790 1.00 62.04 H new ATOM 0 HG3 GLU B 42 8.724 7.151 5.042 1.00 62.04 H new ATOM 1652 N GLU B 43 4.774 3.681 6.106 1.00 22.14 N ATOM 1653 CA GLU B 43 4.545 2.279 6.437 1.00 4.12 C ATOM 1654 C GLU B 43 4.153 1.484 5.194 1.00 4.31 C ATOM 1655 O GLU B 43 4.508 0.314 5.055 1.00 23.41 O ATOM 1656 CB GLU B 43 3.453 2.154 7.500 1.00 13.43 C ATOM 1657 CG GLU B 43 3.821 2.796 8.828 1.00 2.31 C ATOM 1658 CD GLU B 43 4.151 1.775 9.899 1.00 3.24 C ATOM 1659 OE1 GLU B 43 5.083 2.028 10.692 1.00 75.32 O ATOM 1660 OE2 GLU B 43 3.481 0.723 9.943 1.00 21.03 O ATOM 0 H GLU B 43 4.225 4.340 6.657 1.00 22.14 H new ATOM 0 HA GLU B 43 5.475 1.869 6.832 1.00 4.12 H new ATOM 0 HB2 GLU B 43 2.538 2.613 7.125 1.00 13.43 H new ATOM 0 HB3 GLU B 43 3.236 1.098 7.664 1.00 13.43 H new ATOM 0 HG2 GLU B 43 4.677 3.455 8.684 1.00 2.31 H new ATOM 0 HG3 GLU B 43 2.993 3.419 9.168 1.00 2.31 H new ATOM 1668 N ALA B 44 3.418 2.129 4.294 1.00 40.31 N ATOM 1669 CA ALA B 44 2.977 1.484 3.064 1.00 20.23 C ATOM 1670 C ALA B 44 4.151 0.846 2.328 1.00 13.20 C ATOM 1671 O ALA B 44 4.043 -0.266 1.813 1.00 14.02 O ATOM 1672 CB ALA B 44 2.272 2.488 2.165 1.00 44.41 C ATOM 0 H ALA B 44 3.116 3.098 4.394 1.00 40.31 H new ATOM 0 HA ALA B 44 2.274 0.694 3.329 1.00 20.23 H new ATOM 0 HB1 ALA B 44 1.948 1.992 1.250 1.00 44.41 H new ATOM 0 HB2 ALA B 44 1.404 2.895 2.684 1.00 44.41 H new ATOM 0 HB3 ALA B 44 2.958 3.298 1.916 1.00 44.41 H new ATOM 1678 N ALA B 45 5.272 1.558 2.282 1.00 4.41 N ATOM 1679 CA ALA B 45 6.466 1.062 1.611 1.00 24.33 C ATOM 1680 C ALA B 45 7.158 -0.013 2.443 1.00 62.31 C ATOM 1681 O ALA B 45 7.904 -0.838 1.916 1.00 70.02 O ATOM 1682 CB ALA B 45 7.426 2.207 1.323 1.00 11.11 C ATOM 0 H ALA B 45 5.378 2.481 2.702 1.00 4.41 H new ATOM 0 HA ALA B 45 6.160 0.613 0.666 1.00 24.33 H new ATOM 0 HB1 ALA B 45 8.313 1.821 0.821 1.00 11.11 H new ATOM 0 HB2 ALA B 45 6.937 2.940 0.681 1.00 11.11 H new ATOM 0 HB3 ALA B 45 7.717 2.682 2.260 1.00 11.11 H new ATOM 1688 N LYS B 46 6.905 0.002 3.748 1.00 61.10 N ATOM 1689 CA LYS B 46 7.502 -0.971 4.655 1.00 61.32 C ATOM 1690 C LYS B 46 6.838 -2.336 4.501 1.00 55.52 C ATOM 1691 O LYS B 46 7.514 -3.362 4.426 1.00 72.31 O ATOM 1692 CB LYS B 46 7.378 -0.492 6.103 1.00 40.32 C ATOM 1693 CG LYS B 46 8.716 -0.293 6.793 1.00 53.23 C ATOM 1694 CD LYS B 46 9.087 -1.493 7.649 1.00 51.25 C ATOM 1695 CE LYS B 46 10.595 -1.648 7.766 1.00 25.23 C ATOM 1696 NZ LYS B 46 11.195 -0.604 8.641 1.00 74.31 N ATOM 0 H LYS B 46 6.290 0.678 4.201 1.00 61.10 H new ATOM 0 HA LYS B 46 8.557 -1.069 4.400 1.00 61.32 H new ATOM 0 HB2 LYS B 46 6.826 0.448 6.120 1.00 40.32 H new ATOM 0 HB3 LYS B 46 6.791 -1.216 6.668 1.00 40.32 H new ATOM 0 HG2 LYS B 46 9.491 -0.125 6.045 1.00 53.23 H new ATOM 0 HG3 LYS B 46 8.676 0.601 7.416 1.00 53.23 H new ATOM 0 HD2 LYS B 46 8.653 -1.381 8.643 1.00 51.25 H new ATOM 0 HD3 LYS B 46 8.660 -2.397 7.215 1.00 51.25 H new ATOM 0 HE2 LYS B 46 10.828 -2.635 8.166 1.00 25.23 H new ATOM 0 HE3 LYS B 46 11.044 -1.592 6.774 1.00 25.23 H new ATOM 0 HZ1 LYS B 46 12.224 -0.745 8.694 1.00 74.31 H new ATOM 0 HZ2 LYS B 46 10.995 0.337 8.246 1.00 74.31 H new ATOM 0 HZ3 LYS B 46 10.786 -0.673 9.595 1.00 74.31 H new ATOM 1710 N LYS B 47 5.510 -2.341 4.455 1.00 64.13 N ATOM 1711 CA LYS B 47 4.754 -3.579 4.307 1.00 31.02 C ATOM 1712 C LYS B 47 5.106 -4.280 2.999 1.00 5.52 C ATOM 1713 O LYS B 47 5.471 -5.454 2.990 1.00 15.32 O ATOM 1714 CB LYS B 47 3.252 -3.292 4.356 1.00 65.44 C ATOM 1715 CG LYS B 47 2.799 -2.642 5.651 1.00 53.05 C ATOM 1716 CD LYS B 47 2.920 -3.598 6.827 1.00 0.35 C ATOM 1717 CE LYS B 47 2.846 -2.860 8.155 1.00 54.14 C ATOM 1718 NZ LYS B 47 3.966 -1.892 8.316 1.00 25.12 N ATOM 0 H LYS B 47 4.935 -1.501 4.518 1.00 64.13 H new ATOM 0 HA LYS B 47 5.019 -4.238 5.134 1.00 31.02 H new ATOM 0 HB2 LYS B 47 2.987 -2.643 3.521 1.00 65.44 H new ATOM 0 HB3 LYS B 47 2.707 -4.226 4.218 1.00 65.44 H new ATOM 0 HG2 LYS B 47 3.398 -1.752 5.841 1.00 53.05 H new ATOM 0 HG3 LYS B 47 1.764 -2.314 5.552 1.00 53.05 H new ATOM 0 HD2 LYS B 47 2.123 -4.340 6.777 1.00 0.35 H new ATOM 0 HD3 LYS B 47 3.864 -4.139 6.762 1.00 0.35 H new ATOM 0 HE2 LYS B 47 1.896 -2.330 8.223 1.00 54.14 H new ATOM 0 HE3 LYS B 47 2.869 -3.581 8.972 1.00 54.14 H new ATOM 0 HZ1 LYS B 47 4.484 -2.103 9.193 1.00 25.12 H new ATOM 0 HZ2 LYS B 47 4.612 -1.971 7.505 1.00 25.12 H new ATOM 0 HZ3 LYS B 47 3.585 -0.925 8.363 1.00 25.12 H new ATOM 1732 N ALA B 48 4.995 -3.550 1.894 1.00 42.45 N ATOM 1733 CA ALA B 48 5.305 -4.100 0.580 1.00 5.34 C ATOM 1734 C ALA B 48 6.748 -4.589 0.516 1.00 40.53 C ATOM 1735 O ALA B 48 7.014 -5.708 0.080 1.00 24.11 O ATOM 1736 CB ALA B 48 5.050 -3.060 -0.501 1.00 63.03 C ATOM 0 H ALA B 48 4.693 -2.576 1.883 1.00 42.45 H new ATOM 0 HA ALA B 48 4.651 -4.955 0.408 1.00 5.34 H new ATOM 0 HB1 ALA B 48 5.286 -3.484 -1.477 1.00 63.03 H new ATOM 0 HB2 ALA B 48 4.002 -2.761 -0.479 1.00 63.03 H new ATOM 0 HB3 ALA B 48 5.679 -2.188 -0.323 1.00 63.03 H new ATOM 1742 N GLU B 49 7.675 -3.742 0.954 1.00 5.32 N ATOM 1743 CA GLU B 49 9.092 -4.089 0.945 1.00 72.04 C ATOM 1744 C GLU B 49 9.346 -5.355 1.758 1.00 23.35 C ATOM 1745 O GLU B 49 10.184 -6.180 1.393 1.00 62.35 O ATOM 1746 CB GLU B 49 9.926 -2.935 1.503 1.00 43.23 C ATOM 1747 CG GLU B 49 11.424 -3.173 1.424 1.00 3.11 C ATOM 1748 CD GLU B 49 12.015 -2.739 0.095 1.00 53.03 C ATOM 1749 OE1 GLU B 49 12.221 -1.522 -0.091 1.00 25.01 O ATOM 1750 OE2 GLU B 49 12.269 -3.616 -0.756 1.00 22.32 O ATOM 0 H GLU B 49 7.471 -2.812 1.319 1.00 5.32 H new ATOM 0 HA GLU B 49 9.388 -4.275 -0.087 1.00 72.04 H new ATOM 0 HB2 GLU B 49 9.682 -2.024 0.956 1.00 43.23 H new ATOM 0 HB3 GLU B 49 9.648 -2.767 2.543 1.00 43.23 H new ATOM 0 HG2 GLU B 49 11.917 -2.631 2.231 1.00 3.11 H new ATOM 0 HG3 GLU B 49 11.629 -4.232 1.580 1.00 3.11 H new ATOM 1758 N GLU B 50 8.618 -5.501 2.860 1.00 10.52 N ATOM 1759 CA GLU B 50 8.767 -6.665 3.725 1.00 11.34 C ATOM 1760 C GLU B 50 8.145 -7.902 3.085 1.00 43.42 C ATOM 1761 O GLU B 50 8.616 -9.022 3.283 1.00 32.12 O ATOM 1762 CB GLU B 50 8.120 -6.402 5.087 1.00 21.15 C ATOM 1763 CG GLU B 50 8.642 -7.305 6.192 1.00 51.35 C ATOM 1764 CD GLU B 50 9.867 -6.737 6.882 1.00 41.25 C ATOM 1765 OE1 GLU B 50 10.753 -6.210 6.175 1.00 14.24 O ATOM 1766 OE2 GLU B 50 9.940 -6.818 8.125 1.00 2.34 O ATOM 0 H GLU B 50 7.919 -4.828 3.175 1.00 10.52 H new ATOM 0 HA GLU B 50 9.832 -6.847 3.866 1.00 11.34 H new ATOM 0 HB2 GLU B 50 8.292 -5.363 5.367 1.00 21.15 H new ATOM 0 HB3 GLU B 50 7.042 -6.535 5.000 1.00 21.15 H new ATOM 0 HG2 GLU B 50 7.855 -7.462 6.929 1.00 51.35 H new ATOM 0 HG3 GLU B 50 8.886 -8.281 5.773 1.00 51.35 H new ATOM 1774 N LEU B 51 7.083 -7.691 2.315 1.00 60.14 N ATOM 1775 CA LEU B 51 6.394 -8.787 1.644 1.00 20.23 C ATOM 1776 C LEU B 51 7.226 -9.327 0.486 1.00 24.15 C ATOM 1777 O LEU B 51 7.350 -10.539 0.307 1.00 43.51 O ATOM 1778 CB LEU B 51 5.029 -8.323 1.133 1.00 11.52 C ATOM 1779 CG LEU B 51 4.020 -7.901 2.201 1.00 13.24 C ATOM 1780 CD1 LEU B 51 3.161 -6.751 1.700 1.00 55.12 C ATOM 1781 CD2 LEU B 51 3.150 -9.081 2.608 1.00 14.13 C ATOM 0 H LEU B 51 6.680 -6.770 2.140 1.00 60.14 H new ATOM 0 HA LEU B 51 6.250 -9.589 2.368 1.00 20.23 H new ATOM 0 HB2 LEU B 51 5.183 -7.483 0.456 1.00 11.52 H new ATOM 0 HB3 LEU B 51 4.590 -9.130 0.546 1.00 11.52 H new ATOM 0 HG LEU B 51 4.570 -7.561 3.078 1.00 13.24 H new ATOM 0 HD11 LEU B 51 2.449 -6.465 2.474 1.00 55.12 H new ATOM 0 HD12 LEU B 51 3.797 -5.899 1.459 1.00 55.12 H new ATOM 0 HD13 LEU B 51 2.620 -7.063 0.807 1.00 55.12 H new ATOM 0 HD21 LEU B 51 2.438 -8.762 3.369 1.00 14.13 H new ATOM 0 HD22 LEU B 51 2.609 -9.452 1.737 1.00 14.13 H new ATOM 0 HD23 LEU B 51 3.779 -9.875 3.010 1.00 14.13 H new ATOM 1793 N PHE B 52 7.799 -8.419 -0.298 1.00 53.45 N ATOM 1794 CA PHE B 52 8.622 -8.803 -1.439 1.00 55.42 C ATOM 1795 C PHE B 52 9.732 -9.758 -1.011 1.00 32.24 C ATOM 1796 O PHE B 52 10.195 -10.583 -1.800 1.00 35.13 O ATOM 1797 CB PHE B 52 9.228 -7.562 -2.098 1.00 21.11 C ATOM 1798 CG PHE B 52 10.234 -7.882 -3.167 1.00 61.44 C ATOM 1799 CD1 PHE B 52 9.925 -8.772 -4.183 1.00 72.15 C ATOM 1800 CD2 PHE B 52 11.487 -7.292 -3.156 1.00 63.43 C ATOM 1801 CE1 PHE B 52 10.847 -9.069 -5.167 1.00 44.32 C ATOM 1802 CE2 PHE B 52 12.415 -7.585 -4.139 1.00 61.45 C ATOM 1803 CZ PHE B 52 12.093 -8.474 -5.147 1.00 13.31 C ATOM 0 H PHE B 52 7.708 -7.412 -0.164 1.00 53.45 H new ATOM 0 HA PHE B 52 7.984 -9.314 -2.160 1.00 55.42 H new ATOM 0 HB2 PHE B 52 8.427 -6.963 -2.531 1.00 21.11 H new ATOM 0 HB3 PHE B 52 9.705 -6.950 -1.332 1.00 21.11 H new ATOM 0 HD1 PHE B 52 8.951 -9.239 -4.206 1.00 72.15 H new ATOM 0 HD2 PHE B 52 11.742 -6.595 -2.371 1.00 63.43 H new ATOM 0 HE1 PHE B 52 10.594 -9.766 -5.952 1.00 44.32 H new ATOM 0 HE2 PHE B 52 13.389 -7.120 -4.119 1.00 61.45 H new ATOM 0 HZ PHE B 52 12.814 -8.703 -5.917 1.00 13.31 H new ATOM 1813 N LYS B 53 10.155 -9.643 0.243 1.00 41.35 N ATOM 1814 CA LYS B 53 11.209 -10.495 0.779 1.00 25.43 C ATOM 1815 C LYS B 53 10.807 -11.965 0.709 1.00 43.11 C ATOM 1816 O LYS B 53 11.602 -12.818 0.310 1.00 60.54 O ATOM 1817 CB LYS B 53 11.521 -10.109 2.225 1.00 12.33 C ATOM 1818 CG LYS B 53 12.198 -8.756 2.361 1.00 52.00 C ATOM 1819 CD LYS B 53 13.681 -8.839 2.039 1.00 34.30 C ATOM 1820 CE LYS B 53 14.457 -7.705 2.691 1.00 0.13 C ATOM 1821 NZ LYS B 53 15.618 -7.279 1.861 1.00 51.31 N ATOM 0 H LYS B 53 9.783 -8.966 0.909 1.00 41.35 H new ATOM 0 HA LYS B 53 12.102 -10.351 0.171 1.00 25.43 H new ATOM 0 HB2 LYS B 53 10.594 -10.101 2.798 1.00 12.33 H new ATOM 0 HB3 LYS B 53 12.162 -10.873 2.666 1.00 12.33 H new ATOM 0 HG2 LYS B 53 11.719 -8.040 1.693 1.00 52.00 H new ATOM 0 HG3 LYS B 53 12.066 -8.382 3.376 1.00 52.00 H new ATOM 0 HD2 LYS B 53 14.076 -9.796 2.381 1.00 34.30 H new ATOM 0 HD3 LYS B 53 13.822 -8.804 0.959 1.00 34.30 H new ATOM 0 HE2 LYS B 53 13.793 -6.855 2.850 1.00 0.13 H new ATOM 0 HE3 LYS B 53 14.809 -8.023 3.672 1.00 0.13 H new ATOM 0 HZ1 LYS B 53 16.121 -6.505 2.339 1.00 51.31 H new ATOM 0 HZ2 LYS B 53 16.265 -8.083 1.730 1.00 51.31 H new ATOM 0 HZ3 LYS B 53 15.280 -6.951 0.934 1.00 51.31 H new ATOM 1835 N LEU B 54 9.571 -12.255 1.098 1.00 50.42 N ATOM 1836 CA LEU B 54 9.063 -13.622 1.078 1.00 11.23 C ATOM 1837 C LEU B 54 8.895 -14.121 -0.353 1.00 44.23 C ATOM 1838 O LEU B 54 8.945 -15.322 -0.613 1.00 21.33 O ATOM 1839 CB LEU B 54 7.727 -13.702 1.818 1.00 75.13 C ATOM 1840 CG LEU B 54 7.686 -14.629 3.034 1.00 44.44 C ATOM 1841 CD1 LEU B 54 7.904 -16.073 2.610 1.00 73.32 C ATOM 1842 CD2 LEU B 54 8.727 -14.209 4.060 1.00 4.21 C ATOM 0 H LEU B 54 8.901 -11.561 1.431 1.00 50.42 H new ATOM 0 HA LEU B 54 9.789 -14.260 1.582 1.00 11.23 H new ATOM 0 HB2 LEU B 54 7.454 -12.698 2.143 1.00 75.13 H new ATOM 0 HB3 LEU B 54 6.963 -14.028 1.112 1.00 75.13 H new ATOM 0 HG LEU B 54 6.701 -14.551 3.494 1.00 44.44 H new ATOM 0 HD11 LEU B 54 7.872 -16.719 3.488 1.00 73.32 H new ATOM 0 HD12 LEU B 54 7.121 -16.370 1.912 1.00 73.32 H new ATOM 0 HD13 LEU B 54 8.876 -16.167 2.126 1.00 73.32 H new ATOM 0 HD21 LEU B 54 8.683 -14.880 4.918 1.00 4.21 H new ATOM 0 HD22 LEU B 54 9.720 -14.257 3.612 1.00 4.21 H new ATOM 0 HD23 LEU B 54 8.525 -13.189 4.386 1.00 4.21 H new ATOM 1854 N ALA B 55 8.698 -13.188 -1.279 1.00 24.04 N ATOM 1855 CA ALA B 55 8.528 -13.532 -2.686 1.00 54.33 C ATOM 1856 C ALA B 55 9.676 -14.404 -3.181 1.00 2.53 C ATOM 1857 O ALA B 55 9.512 -15.194 -4.109 1.00 42.33 O ATOM 1858 CB ALA B 55 8.419 -12.270 -3.528 1.00 42.23 C ATOM 0 H ALA B 55 8.652 -12.189 -1.080 1.00 24.04 H new ATOM 0 HA ALA B 55 7.605 -14.103 -2.786 1.00 54.33 H new ATOM 0 HB1 ALA B 55 8.292 -12.542 -4.576 1.00 42.23 H new ATOM 0 HB2 ALA B 55 7.560 -11.686 -3.198 1.00 42.23 H new ATOM 0 HB3 ALA B 55 9.326 -11.677 -3.414 1.00 42.23 H new ATOM 1864 N GLU B 56 10.840 -14.252 -2.556 1.00 73.41 N ATOM 1865 CA GLU B 56 12.017 -15.026 -2.935 1.00 44.22 C ATOM 1866 C GLU B 56 11.799 -16.513 -2.671 1.00 13.35 C ATOM 1867 O GLU B 56 12.106 -17.354 -3.514 1.00 35.12 O ATOM 1868 CB GLU B 56 13.247 -14.534 -2.169 1.00 41.42 C ATOM 1869 CG GLU B 56 14.427 -15.490 -2.235 1.00 51.23 C ATOM 1870 CD GLU B 56 15.758 -14.768 -2.294 1.00 13.13 C ATOM 1871 OE1 GLU B 56 16.657 -15.242 -3.021 1.00 51.41 O ATOM 1872 OE2 GLU B 56 15.904 -13.730 -1.614 1.00 64.35 O ATOM 0 H GLU B 56 10.993 -13.601 -1.786 1.00 73.41 H new ATOM 0 HA GLU B 56 12.184 -14.886 -4.003 1.00 44.22 H new ATOM 0 HB2 GLU B 56 13.551 -13.567 -2.569 1.00 41.42 H new ATOM 0 HB3 GLU B 56 12.976 -14.376 -1.125 1.00 41.42 H new ATOM 0 HG2 GLU B 56 14.410 -16.143 -1.362 1.00 51.23 H new ATOM 0 HG3 GLU B 56 14.325 -16.128 -3.113 1.00 51.23 H new ATOM 1880 N GLU B 57 11.270 -16.827 -1.492 1.00 50.20 N ATOM 1881 CA GLU B 57 11.013 -18.212 -1.115 1.00 2.21 C ATOM 1882 C GLU B 57 9.923 -18.821 -1.992 1.00 62.31 C ATOM 1883 O GLU B 57 9.993 -19.993 -2.364 1.00 52.20 O ATOM 1884 CB GLU B 57 10.604 -18.295 0.356 1.00 14.23 C ATOM 1885 CG GLU B 57 10.550 -19.716 0.893 1.00 54.32 C ATOM 1886 CD GLU B 57 9.805 -19.814 2.211 1.00 63.43 C ATOM 1887 OE1 GLU B 57 8.569 -19.629 2.207 1.00 35.22 O ATOM 1888 OE2 GLU B 57 10.456 -20.074 3.244 1.00 61.42 O ATOM 0 H GLU B 57 11.011 -16.141 -0.782 1.00 50.20 H new ATOM 0 HA GLU B 57 11.933 -18.779 -1.262 1.00 2.21 H new ATOM 0 HB2 GLU B 57 11.308 -17.716 0.954 1.00 14.23 H new ATOM 0 HB3 GLU B 57 9.625 -17.831 0.479 1.00 14.23 H new ATOM 0 HG2 GLU B 57 10.067 -20.360 0.158 1.00 54.32 H new ATOM 0 HG3 GLU B 57 11.566 -20.089 1.025 1.00 54.32 H new ATOM 1896 N ARG B 58 8.917 -18.017 -2.320 1.00 34.01 N ATOM 1897 CA ARG B 58 7.811 -18.477 -3.152 1.00 20.13 C ATOM 1898 C ARG B 58 8.216 -18.514 -4.622 1.00 45.44 C ATOM 1899 O ARG B 58 7.579 -19.183 -5.436 1.00 65.45 O ATOM 1900 CB ARG B 58 6.595 -17.567 -2.969 1.00 20.30 C ATOM 1901 CG ARG B 58 5.955 -17.674 -1.594 1.00 32.05 C ATOM 1902 CD ARG B 58 5.764 -16.305 -0.960 1.00 43.20 C ATOM 1903 NE ARG B 58 4.828 -15.478 -1.717 1.00 0.13 N ATOM 1904 CZ ARG B 58 3.522 -15.712 -1.776 1.00 23.53 C ATOM 1905 NH1 ARG B 58 3.000 -16.744 -1.127 1.00 13.52 N ATOM 1906 NH2 ARG B 58 2.735 -14.914 -2.486 1.00 11.30 N ATOM 0 H ARG B 58 8.845 -17.044 -2.023 1.00 34.01 H new ATOM 0 HA ARG B 58 7.550 -19.488 -2.840 1.00 20.13 H new ATOM 0 HB2 ARG B 58 6.896 -16.534 -3.141 1.00 20.30 H new ATOM 0 HB3 ARG B 58 5.851 -17.812 -3.727 1.00 20.30 H new ATOM 0 HG2 ARG B 58 4.991 -18.175 -1.678 1.00 32.05 H new ATOM 0 HG3 ARG B 58 6.579 -18.291 -0.948 1.00 32.05 H new ATOM 0 HD2 ARG B 58 5.399 -16.425 0.060 1.00 43.20 H new ATOM 0 HD3 ARG B 58 6.727 -15.797 -0.896 1.00 43.20 H new ATOM 0 HE ARG B 58 5.198 -14.677 -2.228 1.00 0.13 H new ATOM 0 HH11 ARG B 58 3.602 -17.360 -0.581 1.00 13.52 H new ATOM 0 HH12 ARG B 58 1.997 -16.921 -1.174 1.00 13.52 H new ATOM 0 HH21 ARG B 58 3.133 -14.120 -2.987 1.00 11.30 H new ATOM 0 HH22 ARG B 58 1.732 -15.095 -2.531 1.00 11.30 H new ATOM 1920 N LEU B 59 9.278 -17.789 -4.956 1.00 51.11 N ATOM 1921 CA LEU B 59 9.768 -17.738 -6.329 1.00 2.42 C ATOM 1922 C LEU B 59 10.965 -18.665 -6.516 1.00 33.31 C ATOM 1923 O LEU B 59 10.832 -19.769 -7.045 1.00 4.43 O ATOM 1924 CB LEU B 59 10.157 -16.305 -6.699 1.00 65.41 C ATOM 1925 CG LEU B 59 10.810 -16.120 -8.070 1.00 63.13 C ATOM 1926 CD1 LEU B 59 9.947 -16.736 -9.161 1.00 35.21 C ATOM 1927 CD2 LEU B 59 11.053 -14.644 -8.350 1.00 34.25 C ATOM 0 H LEU B 59 9.816 -17.229 -4.295 1.00 51.11 H new ATOM 0 HA LEU B 59 8.966 -18.073 -6.987 1.00 2.42 H new ATOM 0 HB2 LEU B 59 9.262 -15.685 -6.658 1.00 65.41 H new ATOM 0 HB3 LEU B 59 10.841 -15.928 -5.939 1.00 65.41 H new ATOM 0 HG LEU B 59 11.772 -16.632 -8.064 1.00 63.13 H new ATOM 0 HD11 LEU B 59 10.428 -16.594 -10.129 1.00 35.21 H new ATOM 0 HD12 LEU B 59 9.824 -17.802 -8.969 1.00 35.21 H new ATOM 0 HD13 LEU B 59 8.970 -16.254 -9.168 1.00 35.21 H new ATOM 0 HD21 LEU B 59 11.518 -14.531 -9.329 1.00 34.25 H new ATOM 0 HD22 LEU B 59 10.103 -14.110 -8.336 1.00 34.25 H new ATOM 0 HD23 LEU B 59 11.712 -14.232 -7.586 1.00 34.25 H new ATOM 1939 N LYS B 60 12.133 -18.211 -6.074 1.00 33.45 N ATOM 1940 CA LYS B 60 13.354 -19.001 -6.188 1.00 71.12 C ATOM 1941 C LYS B 60 13.621 -19.779 -4.903 1.00 62.43 C ATOM 1942 O LYS B 60 12.802 -19.778 -3.984 1.00 12.11 O ATOM 1943 CB LYS B 60 14.545 -18.093 -6.503 1.00 24.01 C ATOM 1944 CG LYS B 60 14.661 -16.897 -5.575 1.00 41.32 C ATOM 1945 CD LYS B 60 14.548 -15.587 -6.337 1.00 63.02 C ATOM 1946 CE LYS B 60 15.913 -14.955 -6.564 1.00 3.41 C ATOM 1947 NZ LYS B 60 16.116 -13.753 -5.710 1.00 0.33 N ATOM 0 H LYS B 60 12.260 -17.300 -5.633 1.00 33.45 H new ATOM 0 HA LYS B 60 13.222 -19.713 -7.002 1.00 71.12 H new ATOM 0 HB2 LYS B 60 15.463 -18.678 -6.444 1.00 24.01 H new ATOM 0 HB3 LYS B 60 14.459 -17.738 -7.530 1.00 24.01 H new ATOM 0 HG2 LYS B 60 13.880 -16.947 -4.817 1.00 41.32 H new ATOM 0 HG3 LYS B 60 15.616 -16.933 -5.051 1.00 41.32 H new ATOM 0 HD2 LYS B 60 14.064 -15.764 -7.297 1.00 63.02 H new ATOM 0 HD3 LYS B 60 13.913 -14.896 -5.782 1.00 63.02 H new ATOM 0 HE2 LYS B 60 16.692 -15.687 -6.352 1.00 3.41 H new ATOM 0 HE3 LYS B 60 16.014 -14.677 -7.613 1.00 3.41 H new ATOM 0 HZ1 LYS B 60 16.850 -13.148 -6.130 1.00 0.33 H new ATOM 0 HZ2 LYS B 60 15.225 -13.220 -5.643 1.00 0.33 H new ATOM 0 HZ3 LYS B 60 16.414 -14.049 -4.759 1.00 0.33 H new ATOM 1961 N LYS B 61 14.770 -20.441 -4.847 1.00 33.52 N ATOM 1962 CA LYS B 61 15.147 -21.222 -3.673 1.00 4.03 C ATOM 1963 C LYS B 61 16.104 -20.437 -2.782 1.00 72.01 C ATOM 1964 O LYS B 61 17.323 -20.558 -2.904 1.00 24.43 O ATOM 1965 CB LYS B 61 15.797 -22.541 -4.100 1.00 64.24 C ATOM 1966 CG LYS B 61 16.910 -22.369 -5.118 1.00 24.14 C ATOM 1967 CD LYS B 61 16.447 -22.735 -6.518 1.00 44.42 C ATOM 1968 CE LYS B 61 17.519 -22.434 -7.556 1.00 61.13 C ATOM 1969 NZ LYS B 61 18.471 -23.568 -7.715 1.00 54.22 N ATOM 0 H LYS B 61 15.458 -20.453 -5.600 1.00 33.52 H new ATOM 0 HA LYS B 61 14.242 -21.437 -3.104 1.00 4.03 H new ATOM 0 HB2 LYS B 61 16.197 -23.041 -3.218 1.00 64.24 H new ATOM 0 HB3 LYS B 61 15.032 -23.195 -4.518 1.00 64.24 H new ATOM 0 HG2 LYS B 61 17.258 -21.336 -5.107 1.00 24.14 H new ATOM 0 HG3 LYS B 61 17.759 -22.994 -4.840 1.00 24.14 H new ATOM 0 HD2 LYS B 61 16.192 -23.794 -6.553 1.00 44.42 H new ATOM 0 HD3 LYS B 61 15.540 -22.181 -6.759 1.00 44.42 H new ATOM 0 HE2 LYS B 61 17.046 -22.220 -8.514 1.00 61.13 H new ATOM 0 HE3 LYS B 61 18.067 -21.538 -7.263 1.00 61.13 H new ATOM 0 HZ1 LYS B 61 19.185 -23.324 -8.430 1.00 54.22 H new ATOM 0 HZ2 LYS B 61 18.941 -23.757 -6.807 1.00 54.22 H new ATOM 0 HZ3 LYS B 61 17.952 -24.417 -8.019 1.00 54.22 H new ATOM 1983 N LEU B 62 15.544 -19.634 -1.885 1.00 1.01 N ATOM 1984 CA LEU B 62 16.347 -18.830 -0.971 1.00 2.32 C ATOM 1985 C LEU B 62 17.387 -19.690 -0.260 1.00 10.31 C ATOM 1986 O LEU B 62 18.569 -19.348 -0.283 1.00 73.32 O ATOM 1987 CB LEU B 62 15.449 -18.140 0.058 1.00 5.22 C ATOM 1988 CG LEU B 62 15.960 -16.809 0.610 1.00 64.23 C ATOM 1989 CD1 LEU B 62 14.987 -16.247 1.635 1.00 31.13 C ATOM 1990 CD2 LEU B 62 17.343 -16.981 1.222 1.00 42.41 C ATOM 0 H LEU B 62 14.537 -19.522 -1.771 1.00 1.01 H new ATOM 0 HA LEU B 62 16.867 -18.071 -1.556 1.00 2.32 H new ATOM 0 HB2 LEU B 62 14.473 -17.971 -0.397 1.00 5.22 H new ATOM 0 HB3 LEU B 62 15.297 -18.823 0.894 1.00 5.22 H new ATOM 0 HG LEU B 62 16.035 -16.101 -0.215 1.00 64.23 H new ATOM 0 HD11 LEU B 62 15.368 -15.300 2.017 1.00 31.13 H new ATOM 0 HD12 LEU B 62 14.017 -16.085 1.165 1.00 31.13 H new ATOM 0 HD13 LEU B 62 14.878 -16.953 2.459 1.00 31.13 H new ATOM 0 HD21 LEU B 62 17.691 -16.024 1.610 1.00 42.41 H new ATOM 0 HD22 LEU B 62 17.294 -17.705 2.035 1.00 42.41 H new ATOM 0 HD23 LEU B 62 18.036 -17.337 0.460 1.00 42.41 H new