USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -138:sc= -0.726 (180deg=-4.27!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -15:sc= 1.1 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -152:sc= -0.103 (180deg=-0.596) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= -0.0996 (180deg=-0.492) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl -152:sc= -4.91! (180deg=-6.2!) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -15:sc= 1.03 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 163:sc= -0.0617 (180deg=-0.208) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ -150:sc= -0.113 (180deg=-0.561) USER MOD Single : B 61 LYS NZ :NH3+ -158:sc= -0.121 (180deg=-0.528) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -11.173 23.582 2.057 1.00 40.41 N ATOM 19 CA LYS A 2 -10.411 22.508 1.433 1.00 61.53 C ATOM 20 C LYS A 2 -10.658 22.468 -0.072 1.00 55.01 C ATOM 21 O LYS A 2 -11.722 22.868 -0.546 1.00 71.53 O ATOM 22 CB LYS A 2 -10.782 21.161 2.057 1.00 44.12 C ATOM 23 CG LYS A 2 -12.229 20.760 1.823 1.00 43.33 C ATOM 24 CD LYS A 2 -13.098 21.081 3.027 1.00 45.43 C ATOM 25 CE LYS A 2 -14.151 22.125 2.692 1.00 12.12 C ATOM 26 NZ LYS A 2 -15.325 22.041 3.605 1.00 73.13 N ATOM 0 HA LYS A 2 -9.352 22.702 1.605 1.00 61.53 H new ATOM 0 HB2 LYS A 2 -10.129 20.389 1.649 1.00 44.12 H new ATOM 0 HB3 LYS A 2 -10.594 21.203 3.130 1.00 44.12 H new ATOM 0 HG2 LYS A 2 -12.614 21.280 0.946 1.00 43.33 H new ATOM 0 HG3 LYS A 2 -12.282 19.692 1.609 1.00 43.33 H new ATOM 0 HD2 LYS A 2 -13.585 20.171 3.378 1.00 45.43 H new ATOM 0 HD3 LYS A 2 -12.472 21.443 3.843 1.00 45.43 H new ATOM 0 HE2 LYS A 2 -13.710 23.120 2.758 1.00 12.12 H new ATOM 0 HE3 LYS A 2 -14.481 21.990 1.662 1.00 12.12 H new ATOM 0 HZ1 LYS A 2 -16.020 22.769 3.344 1.00 73.13 H new ATOM 0 HZ2 LYS A 2 -15.761 21.100 3.524 1.00 73.13 H new ATOM 0 HZ3 LYS A 2 -15.014 22.195 4.585 1.00 73.13 H new ATOM 40 N LYS A 3 -9.670 21.984 -0.817 1.00 34.33 N ATOM 41 CA LYS A 3 -9.782 21.889 -2.267 1.00 73.25 C ATOM 42 C LYS A 3 -8.519 21.286 -2.872 1.00 25.54 C ATOM 43 O LYS A 3 -8.585 20.499 -3.818 1.00 70.03 O ATOM 44 CB LYS A 3 -10.038 23.272 -2.872 1.00 35.14 C ATOM 45 CG LYS A 3 -11.459 23.463 -3.374 1.00 62.32 C ATOM 46 CD LYS A 3 -11.919 24.902 -3.213 1.00 2.44 C ATOM 47 CE LYS A 3 -13.434 24.995 -3.117 1.00 33.01 C ATOM 48 NZ LYS A 3 -13.881 26.348 -2.683 1.00 61.00 N ATOM 0 H LYS A 3 -8.783 21.651 -0.440 1.00 34.33 H new ATOM 0 HA LYS A 3 -10.623 21.236 -2.498 1.00 73.25 H new ATOM 0 HB2 LYS A 3 -9.821 24.033 -2.122 1.00 35.14 H new ATOM 0 HB3 LYS A 3 -9.345 23.432 -3.698 1.00 35.14 H new ATOM 0 HG2 LYS A 3 -11.516 23.177 -4.424 1.00 62.32 H new ATOM 0 HG3 LYS A 3 -12.131 22.802 -2.827 1.00 62.32 H new ATOM 0 HD2 LYS A 3 -11.470 25.331 -2.317 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -11.570 25.494 -4.059 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -13.874 24.761 -4.086 1.00 33.01 H new ATOM 0 HE3 LYS A 3 -13.800 24.248 -2.412 1.00 33.01 H new ATOM 0 HZ1 LYS A 3 -14.919 26.370 -2.630 1.00 61.00 H new ATOM 0 HZ2 LYS A 3 -13.482 26.562 -1.747 1.00 61.00 H new ATOM 0 HZ3 LYS A 3 -13.554 27.058 -3.369 1.00 61.00 H new ATOM 62 N LEU A 4 -7.368 21.656 -2.320 1.00 33.33 N ATOM 63 CA LEU A 4 -6.089 21.150 -2.803 1.00 23.41 C ATOM 64 C LEU A 4 -5.693 19.875 -2.064 1.00 11.41 C ATOM 65 O LEU A 4 -5.104 18.965 -2.647 1.00 34.53 O ATOM 66 CB LEU A 4 -5.001 22.210 -2.633 1.00 40.22 C ATOM 67 CG LEU A 4 -4.894 23.248 -3.751 1.00 1.54 C ATOM 68 CD1 LEU A 4 -4.574 22.575 -5.076 1.00 23.45 C ATOM 69 CD2 LEU A 4 -6.182 24.053 -3.857 1.00 23.55 C ATOM 0 H LEU A 4 -7.295 22.305 -1.537 1.00 33.33 H new ATOM 0 HA LEU A 4 -6.196 20.916 -3.862 1.00 23.41 H new ATOM 0 HB2 LEU A 4 -5.176 22.734 -1.694 1.00 40.22 H new ATOM 0 HB3 LEU A 4 -4.040 21.704 -2.541 1.00 40.22 H new ATOM 0 HG LEU A 4 -4.080 23.932 -3.509 1.00 1.54 H new ATOM 0 HD11 LEU A 4 -4.502 23.330 -5.859 1.00 23.45 H new ATOM 0 HD12 LEU A 4 -3.625 22.044 -4.995 1.00 23.45 H new ATOM 0 HD13 LEU A 4 -5.365 21.868 -5.325 1.00 23.45 H new ATOM 0 HD21 LEU A 4 -6.088 24.787 -4.658 1.00 23.55 H new ATOM 0 HD22 LEU A 4 -7.013 23.383 -4.075 1.00 23.55 H new ATOM 0 HD23 LEU A 4 -6.369 24.567 -2.914 1.00 23.55 H new ATOM 81 N ARG A 5 -6.023 19.817 -0.778 1.00 1.42 N ATOM 82 CA ARG A 5 -5.703 18.654 0.041 1.00 14.31 C ATOM 83 C ARG A 5 -6.519 17.441 -0.394 1.00 34.11 C ATOM 84 O ARG A 5 -6.022 16.315 -0.401 1.00 14.43 O ATOM 85 CB ARG A 5 -5.965 18.955 1.518 1.00 72.20 C ATOM 86 CG ARG A 5 -5.367 20.272 1.986 1.00 71.50 C ATOM 87 CD ARG A 5 -5.178 20.292 3.495 1.00 71.23 C ATOM 88 NE ARG A 5 -5.739 21.497 4.101 1.00 52.13 N ATOM 89 CZ ARG A 5 -5.232 22.712 3.925 1.00 11.22 C ATOM 90 NH1 ARG A 5 -4.159 22.884 3.165 1.00 63.11 N ATOM 91 NH2 ARG A 5 -5.800 23.760 4.510 1.00 63.31 N ATOM 0 H ARG A 5 -6.512 20.562 -0.281 1.00 1.42 H new ATOM 0 HA ARG A 5 -4.646 18.427 -0.094 1.00 14.31 H new ATOM 0 HB2 ARG A 5 -7.041 18.972 1.691 1.00 72.20 H new ATOM 0 HB3 ARG A 5 -5.558 18.145 2.123 1.00 72.20 H new ATOM 0 HG2 ARG A 5 -4.407 20.432 1.496 1.00 71.50 H new ATOM 0 HG3 ARG A 5 -6.017 21.095 1.689 1.00 71.50 H new ATOM 0 HD2 ARG A 5 -5.652 19.413 3.931 1.00 71.23 H new ATOM 0 HD3 ARG A 5 -4.115 20.230 3.728 1.00 71.23 H new ATOM 0 HE ARG A 5 -6.565 21.400 4.691 1.00 52.13 H new ATOM 0 HH11 ARG A 5 -3.720 22.082 2.713 1.00 63.11 H new ATOM 0 HH12 ARG A 5 -3.773 23.819 3.032 1.00 63.11 H new ATOM 0 HH21 ARG A 5 -6.626 23.632 5.095 1.00 63.31 H new ATOM 0 HH22 ARG A 5 -5.410 24.693 4.375 1.00 63.31 H new ATOM 105 N GLU A 6 -7.777 17.680 -0.758 1.00 4.34 N ATOM 106 CA GLU A 6 -8.662 16.606 -1.192 1.00 25.40 C ATOM 107 C GLU A 6 -8.028 15.802 -2.324 1.00 60.25 C ATOM 108 O GLU A 6 -8.259 14.601 -2.451 1.00 23.22 O ATOM 109 CB GLU A 6 -10.006 17.177 -1.648 1.00 12.01 C ATOM 110 CG GLU A 6 -11.192 16.651 -0.856 1.00 42.52 C ATOM 111 CD GLU A 6 -12.401 16.374 -1.728 1.00 44.43 C ATOM 112 OE1 GLU A 6 -12.413 15.327 -2.408 1.00 41.23 O ATOM 113 OE2 GLU A 6 -13.333 17.204 -1.731 1.00 44.35 O ATOM 0 H GLU A 6 -8.204 18.606 -0.760 1.00 4.34 H new ATOM 0 HA GLU A 6 -8.826 15.940 -0.345 1.00 25.40 H new ATOM 0 HB2 GLU A 6 -9.977 18.263 -1.564 1.00 12.01 H new ATOM 0 HB3 GLU A 6 -10.152 16.943 -2.703 1.00 12.01 H new ATOM 0 HG2 GLU A 6 -10.903 15.735 -0.342 1.00 42.52 H new ATOM 0 HG3 GLU A 6 -11.461 17.376 -0.088 1.00 42.52 H new ATOM 121 N GLU A 7 -7.227 16.477 -3.144 1.00 72.20 N ATOM 122 CA GLU A 7 -6.561 15.826 -4.266 1.00 42.25 C ATOM 123 C GLU A 7 -5.769 14.609 -3.797 1.00 31.12 C ATOM 124 O GLU A 7 -5.793 13.556 -4.434 1.00 62.11 O ATOM 125 CB GLU A 7 -5.630 16.811 -4.976 1.00 21.21 C ATOM 126 CG GLU A 7 -6.364 17.883 -5.763 1.00 13.21 C ATOM 127 CD GLU A 7 -7.302 17.304 -6.805 1.00 43.33 C ATOM 128 OE1 GLU A 7 -8.531 17.371 -6.598 1.00 54.35 O ATOM 129 OE2 GLU A 7 -6.805 16.783 -7.826 1.00 42.10 O ATOM 0 H GLU A 7 -7.024 17.472 -3.052 1.00 72.20 H new ATOM 0 HA GLU A 7 -7.327 15.492 -4.966 1.00 42.25 H new ATOM 0 HB2 GLU A 7 -4.989 17.290 -4.236 1.00 21.21 H new ATOM 0 HB3 GLU A 7 -4.978 16.258 -5.652 1.00 21.21 H new ATOM 0 HG2 GLU A 7 -6.933 18.508 -5.075 1.00 13.21 H new ATOM 0 HG3 GLU A 7 -5.637 18.530 -6.254 1.00 13.21 H new ATOM 137 N ALA A 8 -5.067 14.762 -2.679 1.00 63.13 N ATOM 138 CA ALA A 8 -4.269 13.676 -2.123 1.00 31.04 C ATOM 139 C ALA A 8 -5.158 12.593 -1.523 1.00 32.43 C ATOM 140 O ALA A 8 -4.771 11.427 -1.451 1.00 65.33 O ATOM 141 CB ALA A 8 -3.306 14.213 -1.075 1.00 3.34 C ATOM 0 H ALA A 8 -5.035 15.628 -2.140 1.00 63.13 H new ATOM 0 HA ALA A 8 -3.694 13.228 -2.933 1.00 31.04 H new ATOM 0 HB1 ALA A 8 -2.716 13.392 -0.668 1.00 3.34 H new ATOM 0 HB2 ALA A 8 -2.641 14.945 -1.533 1.00 3.34 H new ATOM 0 HB3 ALA A 8 -3.870 14.688 -0.272 1.00 3.34 H new ATOM 147 N ALA A 9 -6.353 12.985 -1.092 1.00 45.13 N ATOM 148 CA ALA A 9 -7.298 12.047 -0.500 1.00 24.41 C ATOM 149 C ALA A 9 -7.582 10.884 -1.444 1.00 63.02 C ATOM 150 O ALA A 9 -7.524 9.720 -1.048 1.00 32.10 O ATOM 151 CB ALA A 9 -8.590 12.760 -0.133 1.00 52.13 C ATOM 0 H ALA A 9 -6.689 13.947 -1.142 1.00 45.13 H new ATOM 0 HA ALA A 9 -6.850 11.642 0.407 1.00 24.41 H new ATOM 0 HB1 ALA A 9 -9.286 12.047 0.308 1.00 52.13 H new ATOM 0 HB2 ALA A 9 -8.377 13.551 0.586 1.00 52.13 H new ATOM 0 HB3 ALA A 9 -9.034 13.193 -1.029 1.00 52.13 H new ATOM 157 N LYS A 10 -7.891 11.207 -2.696 1.00 64.12 N ATOM 158 CA LYS A 10 -8.184 10.190 -3.699 1.00 32.23 C ATOM 159 C LYS A 10 -7.033 9.196 -3.819 1.00 4.00 C ATOM 160 O LYS A 10 -7.250 7.995 -3.982 1.00 32.42 O ATOM 161 CB LYS A 10 -8.451 10.844 -5.056 1.00 11.32 C ATOM 162 CG LYS A 10 -9.440 11.996 -4.991 1.00 33.52 C ATOM 163 CD LYS A 10 -10.073 12.264 -6.347 1.00 63.33 C ATOM 164 CE LYS A 10 -11.285 11.375 -6.582 1.00 13.10 C ATOM 165 NZ LYS A 10 -11.791 11.486 -7.978 1.00 12.21 N ATOM 0 H LYS A 10 -7.945 12.166 -3.040 1.00 64.12 H new ATOM 0 HA LYS A 10 -9.076 9.649 -3.382 1.00 32.23 H new ATOM 0 HB2 LYS A 10 -7.509 11.207 -5.467 1.00 11.32 H new ATOM 0 HB3 LYS A 10 -8.829 10.089 -5.746 1.00 11.32 H new ATOM 0 HG2 LYS A 10 -10.219 11.768 -4.263 1.00 33.52 H new ATOM 0 HG3 LYS A 10 -8.931 12.894 -4.642 1.00 33.52 H new ATOM 0 HD2 LYS A 10 -10.370 13.311 -6.410 1.00 63.33 H new ATOM 0 HD3 LYS A 10 -9.337 12.094 -7.133 1.00 63.33 H new ATOM 0 HE2 LYS A 10 -11.021 10.338 -6.373 1.00 13.10 H new ATOM 0 HE3 LYS A 10 -12.077 11.649 -5.885 1.00 13.10 H new ATOM 0 HZ1 LYS A 10 -12.617 10.865 -8.098 1.00 12.21 H new ATOM 0 HZ2 LYS A 10 -12.067 12.470 -8.170 1.00 12.21 H new ATOM 0 HZ3 LYS A 10 -11.043 11.200 -8.642 1.00 12.21 H new ATOM 179 N LEU A 11 -5.809 9.704 -3.737 1.00 42.45 N ATOM 180 CA LEU A 11 -4.622 8.862 -3.835 1.00 22.44 C ATOM 181 C LEU A 11 -4.705 7.688 -2.863 1.00 75.13 C ATOM 182 O LEU A 11 -4.359 6.558 -3.208 1.00 4.45 O ATOM 183 CB LEU A 11 -3.363 9.683 -3.553 1.00 31.14 C ATOM 184 CG LEU A 11 -3.212 10.977 -4.354 1.00 23.31 C ATOM 185 CD1 LEU A 11 -1.890 11.655 -4.030 1.00 23.41 C ATOM 186 CD2 LEU A 11 -3.318 10.695 -5.846 1.00 24.01 C ATOM 0 H LEU A 11 -5.612 10.696 -3.603 1.00 42.45 H new ATOM 0 HA LEU A 11 -4.571 8.468 -4.850 1.00 22.44 H new ATOM 0 HB2 LEU A 11 -3.346 9.932 -2.492 1.00 31.14 H new ATOM 0 HB3 LEU A 11 -2.493 9.055 -3.747 1.00 31.14 H new ATOM 0 HG LEU A 11 -4.020 11.652 -4.073 1.00 23.31 H new ATOM 0 HD11 LEU A 11 -1.801 12.574 -4.610 1.00 23.41 H new ATOM 0 HD12 LEU A 11 -1.853 11.892 -2.967 1.00 23.41 H new ATOM 0 HD13 LEU A 11 -1.067 10.986 -4.281 1.00 23.41 H new ATOM 0 HD21 LEU A 11 -3.208 11.627 -6.401 1.00 24.01 H new ATOM 0 HD22 LEU A 11 -2.531 10.001 -6.142 1.00 24.01 H new ATOM 0 HD23 LEU A 11 -4.291 10.255 -6.065 1.00 24.01 H new ATOM 198 N PHE A 12 -5.170 7.964 -1.650 1.00 21.23 N ATOM 199 CA PHE A 12 -5.301 6.931 -0.628 1.00 3.31 C ATOM 200 C PHE A 12 -6.488 6.021 -0.925 1.00 23.01 C ATOM 201 O PHE A 12 -6.512 4.861 -0.512 1.00 64.04 O ATOM 202 CB PHE A 12 -5.464 7.569 0.753 1.00 24.43 C ATOM 203 CG PHE A 12 -4.249 8.322 1.214 1.00 14.20 C ATOM 204 CD1 PHE A 12 -2.982 7.791 1.040 1.00 65.15 C ATOM 205 CD2 PHE A 12 -4.375 9.561 1.820 1.00 1.43 C ATOM 206 CE1 PHE A 12 -1.861 8.482 1.463 1.00 13.20 C ATOM 207 CE2 PHE A 12 -3.259 10.257 2.246 1.00 42.42 C ATOM 208 CZ PHE A 12 -2.000 9.716 2.066 1.00 51.43 C ATOM 0 H PHE A 12 -5.463 8.894 -1.350 1.00 21.23 H new ATOM 0 HA PHE A 12 -4.393 6.328 -0.636 1.00 3.31 H new ATOM 0 HB2 PHE A 12 -6.316 8.248 0.732 1.00 24.43 H new ATOM 0 HB3 PHE A 12 -5.696 6.790 1.479 1.00 24.43 H new ATOM 0 HD1 PHE A 12 -2.868 6.826 0.569 1.00 65.15 H new ATOM 0 HD2 PHE A 12 -5.357 9.988 1.961 1.00 1.43 H new ATOM 0 HE1 PHE A 12 -0.878 8.057 1.322 1.00 13.20 H new ATOM 0 HE2 PHE A 12 -3.371 11.222 2.719 1.00 42.42 H new ATOM 0 HZ PHE A 12 -1.126 10.258 2.397 1.00 51.43 H new ATOM 218 N GLU A 13 -7.472 6.555 -1.641 1.00 24.22 N ATOM 219 CA GLU A 13 -8.663 5.791 -1.992 1.00 64.11 C ATOM 220 C GLU A 13 -8.294 4.538 -2.782 1.00 50.44 C ATOM 221 O GLU A 13 -8.849 3.464 -2.557 1.00 2.21 O ATOM 222 CB GLU A 13 -9.629 6.654 -2.806 1.00 52.20 C ATOM 223 CG GLU A 13 -11.086 6.465 -2.420 1.00 12.42 C ATOM 224 CD GLU A 13 -11.587 7.547 -1.483 1.00 13.22 C ATOM 225 OE1 GLU A 13 -10.826 7.946 -0.576 1.00 62.43 O ATOM 226 OE2 GLU A 13 -12.740 7.996 -1.655 1.00 41.23 O ATOM 0 H GLU A 13 -7.468 7.514 -1.989 1.00 24.22 H new ATOM 0 HA GLU A 13 -9.152 5.485 -1.067 1.00 64.11 H new ATOM 0 HB2 GLU A 13 -9.361 7.703 -2.679 1.00 52.20 H new ATOM 0 HB3 GLU A 13 -9.509 6.420 -3.864 1.00 52.20 H new ATOM 0 HG2 GLU A 13 -11.699 6.458 -3.321 1.00 12.42 H new ATOM 0 HG3 GLU A 13 -11.208 5.492 -1.944 1.00 12.42 H new ATOM 234 N GLU A 14 -7.352 4.688 -3.709 1.00 35.14 N ATOM 235 CA GLU A 14 -6.909 3.569 -4.533 1.00 74.24 C ATOM 236 C GLU A 14 -6.013 2.627 -3.736 1.00 10.11 C ATOM 237 O GLU A 14 -5.940 1.431 -4.023 1.00 55.33 O ATOM 238 CB GLU A 14 -6.162 4.081 -5.767 1.00 41.15 C ATOM 239 CG GLU A 14 -6.855 5.242 -6.461 1.00 22.43 C ATOM 240 CD GLU A 14 -6.520 5.321 -7.938 1.00 14.33 C ATOM 241 OE1 GLU A 14 -5.499 5.953 -8.281 1.00 23.40 O ATOM 242 OE2 GLU A 14 -7.279 4.753 -8.751 1.00 1.25 O ATOM 0 H GLU A 14 -6.882 5.571 -3.908 1.00 35.14 H new ATOM 0 HA GLU A 14 -7.791 3.016 -4.855 1.00 74.24 H new ATOM 0 HB2 GLU A 14 -5.160 4.391 -5.472 1.00 41.15 H new ATOM 0 HB3 GLU A 14 -6.046 3.262 -6.477 1.00 41.15 H new ATOM 0 HG2 GLU A 14 -7.934 5.141 -6.342 1.00 22.43 H new ATOM 0 HG3 GLU A 14 -6.567 6.175 -5.976 1.00 22.43 H new ATOM 250 N TRP A 15 -5.332 3.173 -2.735 1.00 61.30 N ATOM 251 CA TRP A 15 -4.440 2.381 -1.897 1.00 52.12 C ATOM 252 C TRP A 15 -5.205 1.273 -1.182 1.00 10.14 C ATOM 253 O TRP A 15 -4.791 0.114 -1.189 1.00 23.52 O ATOM 254 CB TRP A 15 -3.740 3.277 -0.874 1.00 3.52 C ATOM 255 CG TRP A 15 -2.353 3.673 -1.280 1.00 61.45 C ATOM 256 CD1 TRP A 15 -1.859 3.736 -2.552 1.00 73.14 C ATOM 257 CD2 TRP A 15 -1.283 4.060 -0.412 1.00 44.21 C ATOM 258 NE1 TRP A 15 -0.545 4.138 -2.527 1.00 14.41 N ATOM 259 CE2 TRP A 15 -0.168 4.345 -1.226 1.00 23.43 C ATOM 260 CE3 TRP A 15 -1.157 4.196 0.973 1.00 41.40 C ATOM 261 CZ2 TRP A 15 1.053 4.754 -0.698 1.00 60.10 C ATOM 262 CZ3 TRP A 15 0.056 4.602 1.496 1.00 34.30 C ATOM 263 CH2 TRP A 15 1.147 4.878 0.661 1.00 42.53 C ATOM 0 H TRP A 15 -5.381 4.160 -2.484 1.00 61.30 H new ATOM 0 HA TRP A 15 -3.690 1.921 -2.541 1.00 52.12 H new ATOM 0 HB2 TRP A 15 -4.337 4.176 -0.721 1.00 3.52 H new ATOM 0 HB3 TRP A 15 -3.696 2.757 0.083 1.00 3.52 H new ATOM 0 HD1 TRP A 15 -2.419 3.504 -3.446 1.00 73.14 H new ATOM 0 HE1 TRP A 15 0.053 4.262 -3.344 1.00 14.41 H new ATOM 0 HE3 TRP A 15 -1.993 3.987 1.624 1.00 41.40 H new ATOM 0 HZ2 TRP A 15 1.896 4.966 -1.339 1.00 60.10 H new ATOM 0 HZ3 TRP A 15 0.165 4.708 2.565 1.00 34.30 H new ATOM 0 HH2 TRP A 15 2.082 5.195 1.100 1.00 42.53 H new ATOM 274 N LYS A 16 -6.325 1.636 -0.564 1.00 45.12 N ATOM 275 CA LYS A 16 -7.149 0.673 0.154 1.00 0.54 C ATOM 276 C LYS A 16 -7.973 -0.169 -0.815 1.00 15.30 C ATOM 277 O LYS A 16 -8.319 -1.313 -0.522 1.00 24.15 O ATOM 278 CB LYS A 16 -8.076 1.395 1.135 1.00 62.44 C ATOM 279 CG LYS A 16 -9.239 2.104 0.463 1.00 61.14 C ATOM 280 CD LYS A 16 -10.087 2.861 1.470 1.00 35.31 C ATOM 281 CE LYS A 16 -11.205 1.990 2.024 1.00 3.51 C ATOM 282 NZ LYS A 16 -12.197 2.786 2.797 1.00 54.41 N ATOM 0 H LYS A 16 -6.682 2.591 -0.547 1.00 45.12 H new ATOM 0 HA LYS A 16 -6.487 0.010 0.710 1.00 0.54 H new ATOM 0 HB2 LYS A 16 -8.467 0.672 1.851 1.00 62.44 H new ATOM 0 HB3 LYS A 16 -7.496 2.123 1.701 1.00 62.44 H new ATOM 0 HG2 LYS A 16 -8.859 2.797 -0.288 1.00 61.14 H new ATOM 0 HG3 LYS A 16 -9.858 1.375 -0.060 1.00 61.14 H new ATOM 0 HD2 LYS A 16 -9.457 3.210 2.288 1.00 35.31 H new ATOM 0 HD3 LYS A 16 -10.514 3.745 0.996 1.00 35.31 H new ATOM 0 HE2 LYS A 16 -11.709 1.480 1.203 1.00 3.51 H new ATOM 0 HE3 LYS A 16 -10.780 1.218 2.665 1.00 3.51 H new ATOM 0 HZ1 LYS A 16 -12.942 2.156 3.157 1.00 54.41 H new ATOM 0 HZ2 LYS A 16 -11.721 3.252 3.596 1.00 54.41 H new ATOM 0 HZ3 LYS A 16 -12.622 3.506 2.179 1.00 54.41 H new ATOM 296 N LYS A 17 -8.285 0.406 -1.972 1.00 64.34 N ATOM 297 CA LYS A 17 -9.065 -0.292 -2.987 1.00 61.13 C ATOM 298 C LYS A 17 -8.256 -1.422 -3.615 1.00 74.33 C ATOM 299 O LYS A 17 -8.712 -2.565 -3.680 1.00 52.24 O ATOM 300 CB LYS A 17 -9.521 0.687 -4.071 1.00 73.34 C ATOM 301 CG LYS A 17 -10.549 0.103 -5.025 1.00 42.44 C ATOM 302 CD LYS A 17 -11.028 1.138 -6.030 1.00 31.11 C ATOM 303 CE LYS A 17 -12.419 1.647 -5.685 1.00 21.31 C ATOM 304 NZ LYS A 17 -13.484 0.745 -6.205 1.00 70.03 N ATOM 0 H LYS A 17 -8.009 1.354 -2.230 1.00 64.34 H new ATOM 0 HA LYS A 17 -9.941 -0.723 -2.503 1.00 61.13 H new ATOM 0 HB2 LYS A 17 -9.941 1.573 -3.595 1.00 73.34 H new ATOM 0 HB3 LYS A 17 -8.652 1.014 -4.642 1.00 73.34 H new ATOM 0 HG2 LYS A 17 -10.115 -0.746 -5.554 1.00 42.44 H new ATOM 0 HG3 LYS A 17 -11.399 -0.276 -4.458 1.00 42.44 H new ATOM 0 HD2 LYS A 17 -10.329 1.974 -6.054 1.00 31.11 H new ATOM 0 HD3 LYS A 17 -11.037 0.701 -7.028 1.00 31.11 H new ATOM 0 HE2 LYS A 17 -12.515 1.736 -4.603 1.00 21.31 H new ATOM 0 HE3 LYS A 17 -12.554 2.646 -6.101 1.00 21.31 H new ATOM 0 HZ1 LYS A 17 -14.417 1.126 -5.949 1.00 70.03 H new ATOM 0 HZ2 LYS A 17 -13.408 0.679 -7.240 1.00 70.03 H new ATOM 0 HZ3 LYS A 17 -13.371 -0.201 -5.789 1.00 70.03 H new ATOM 318 N LEU A 18 -7.053 -1.097 -4.076 1.00 13.12 N ATOM 319 CA LEU A 18 -6.179 -2.086 -4.697 1.00 71.04 C ATOM 320 C LEU A 18 -5.958 -3.277 -3.771 1.00 12.33 C ATOM 321 O LEU A 18 -5.861 -4.417 -4.222 1.00 31.34 O ATOM 322 CB LEU A 18 -4.836 -1.451 -5.061 1.00 4.42 C ATOM 323 CG LEU A 18 -4.842 -0.505 -6.262 1.00 15.45 C ATOM 324 CD1 LEU A 18 -3.756 0.549 -6.117 1.00 62.21 C ATOM 325 CD2 LEU A 18 -4.664 -1.285 -7.556 1.00 53.05 C ATOM 0 H LEU A 18 -6.661 -0.156 -4.031 1.00 13.12 H new ATOM 0 HA LEU A 18 -6.663 -2.443 -5.606 1.00 71.04 H new ATOM 0 HB2 LEU A 18 -4.470 -0.902 -4.194 1.00 4.42 H new ATOM 0 HB3 LEU A 18 -4.121 -2.250 -5.257 1.00 4.42 H new ATOM 0 HG LEU A 18 -5.807 0.001 -6.297 1.00 15.45 H new ATOM 0 HD11 LEU A 18 -3.776 1.213 -6.981 1.00 62.21 H new ATOM 0 HD12 LEU A 18 -3.930 1.128 -5.210 1.00 62.21 H new ATOM 0 HD13 LEU A 18 -2.783 0.062 -6.056 1.00 62.21 H new ATOM 0 HD21 LEU A 18 -4.671 -0.596 -8.400 1.00 53.05 H new ATOM 0 HD22 LEU A 18 -3.714 -1.819 -7.531 1.00 53.05 H new ATOM 0 HD23 LEU A 18 -5.479 -2.000 -7.665 1.00 53.05 H new ATOM 337 N ALA A 19 -5.881 -3.004 -2.472 1.00 54.41 N ATOM 338 CA ALA A 19 -5.676 -4.053 -1.482 1.00 11.43 C ATOM 339 C ALA A 19 -6.883 -4.983 -1.410 1.00 43.30 C ATOM 340 O ALA A 19 -6.766 -6.132 -0.985 1.00 63.32 O ATOM 341 CB ALA A 19 -5.397 -3.442 -0.117 1.00 4.11 C ATOM 0 H ALA A 19 -5.958 -2.065 -2.082 1.00 54.41 H new ATOM 0 HA ALA A 19 -4.812 -4.644 -1.788 1.00 11.43 H new ATOM 0 HB1 ALA A 19 -5.246 -4.237 0.613 1.00 4.11 H new ATOM 0 HB2 ALA A 19 -4.501 -2.824 -0.171 1.00 4.11 H new ATOM 0 HB3 ALA A 19 -6.244 -2.827 0.186 1.00 4.11 H new ATOM 347 N GLU A 20 -8.039 -4.478 -1.827 1.00 62.43 N ATOM 348 CA GLU A 20 -9.266 -5.265 -1.809 1.00 2.55 C ATOM 349 C GLU A 20 -9.252 -6.322 -2.908 1.00 33.50 C ATOM 350 O GLU A 20 -9.529 -7.496 -2.660 1.00 42.44 O ATOM 351 CB GLU A 20 -10.485 -4.355 -1.975 1.00 32.41 C ATOM 352 CG GLU A 20 -11.700 -4.814 -1.186 1.00 72.24 C ATOM 353 CD GLU A 20 -11.674 -4.336 0.253 1.00 33.32 C ATOM 354 OE1 GLU A 20 -11.365 -5.156 1.143 1.00 15.52 O ATOM 355 OE2 GLU A 20 -11.964 -3.144 0.489 1.00 24.23 O ATOM 0 H GLU A 20 -8.152 -3.528 -2.181 1.00 62.43 H new ATOM 0 HA GLU A 20 -9.328 -5.770 -0.845 1.00 2.55 H new ATOM 0 HB2 GLU A 20 -10.219 -3.345 -1.662 1.00 32.41 H new ATOM 0 HB3 GLU A 20 -10.747 -4.302 -3.032 1.00 32.41 H new ATOM 0 HG2 GLU A 20 -12.604 -4.446 -1.671 1.00 72.24 H new ATOM 0 HG3 GLU A 20 -11.750 -5.903 -1.203 1.00 72.24 H new ATOM 363 N GLU A 21 -8.929 -5.896 -4.125 1.00 61.51 N ATOM 364 CA GLU A 21 -8.880 -6.806 -5.264 1.00 74.11 C ATOM 365 C GLU A 21 -7.668 -7.728 -5.173 1.00 11.41 C ATOM 366 O GLU A 21 -7.792 -8.947 -5.289 1.00 42.10 O ATOM 367 CB GLU A 21 -8.836 -6.016 -6.575 1.00 21.14 C ATOM 368 CG GLU A 21 -9.940 -4.979 -6.697 1.00 61.50 C ATOM 369 CD GLU A 21 -9.667 -3.963 -7.789 1.00 45.34 C ATOM 370 OE1 GLU A 21 -9.100 -2.894 -7.475 1.00 63.35 O ATOM 371 OE2 GLU A 21 -10.018 -4.234 -8.956 1.00 11.45 O ATOM 0 H GLU A 21 -8.698 -4.928 -4.348 1.00 61.51 H new ATOM 0 HA GLU A 21 -9.782 -7.418 -5.246 1.00 74.11 H new ATOM 0 HB2 GLU A 21 -7.870 -5.518 -6.657 1.00 21.14 H new ATOM 0 HB3 GLU A 21 -8.908 -6.711 -7.411 1.00 21.14 H new ATOM 0 HG2 GLU A 21 -10.885 -5.482 -6.902 1.00 61.50 H new ATOM 0 HG3 GLU A 21 -10.054 -4.461 -5.745 1.00 61.50 H new ATOM 379 N ALA A 22 -6.496 -7.136 -4.965 1.00 0.54 N ATOM 380 CA ALA A 22 -5.262 -7.904 -4.857 1.00 45.31 C ATOM 381 C ALA A 22 -5.377 -8.981 -3.784 1.00 1.24 C ATOM 382 O ALA A 22 -4.757 -10.040 -3.884 1.00 50.31 O ATOM 383 CB ALA A 22 -4.091 -6.980 -4.555 1.00 52.32 C ATOM 0 H ALA A 22 -6.376 -6.128 -4.868 1.00 0.54 H new ATOM 0 HA ALA A 22 -5.086 -8.398 -5.813 1.00 45.31 H new ATOM 0 HB1 ALA A 22 -3.176 -7.566 -4.477 1.00 52.32 H new ATOM 0 HB2 ALA A 22 -3.987 -6.250 -5.358 1.00 52.32 H new ATOM 0 HB3 ALA A 22 -4.271 -6.461 -3.614 1.00 52.32 H new ATOM 389 N ALA A 23 -6.176 -8.705 -2.757 1.00 31.20 N ATOM 390 CA ALA A 23 -6.374 -9.652 -1.667 1.00 61.41 C ATOM 391 C ALA A 23 -7.199 -10.850 -2.124 1.00 1.04 C ATOM 392 O ALA A 23 -6.781 -11.999 -1.972 1.00 54.30 O ATOM 393 CB ALA A 23 -7.045 -8.965 -0.487 1.00 52.10 C ATOM 0 H ALA A 23 -6.696 -7.833 -2.658 1.00 31.20 H new ATOM 0 HA ALA A 23 -5.396 -10.017 -1.353 1.00 61.41 H new ATOM 0 HB1 ALA A 23 -7.187 -9.684 0.320 1.00 52.10 H new ATOM 0 HB2 ALA A 23 -6.416 -8.146 -0.137 1.00 52.10 H new ATOM 0 HB3 ALA A 23 -8.013 -8.572 -0.797 1.00 52.10 H new ATOM 399 N LYS A 24 -8.372 -10.576 -2.683 1.00 72.52 N ATOM 400 CA LYS A 24 -9.257 -11.631 -3.162 1.00 71.42 C ATOM 401 C LYS A 24 -8.606 -12.411 -4.301 1.00 75.11 C ATOM 402 O LYS A 24 -8.810 -13.619 -4.435 1.00 44.03 O ATOM 403 CB LYS A 24 -10.586 -11.036 -3.633 1.00 24.35 C ATOM 404 CG LYS A 24 -10.429 -9.946 -4.678 1.00 75.44 C ATOM 405 CD LYS A 24 -11.776 -9.393 -5.115 1.00 3.13 C ATOM 406 CE LYS A 24 -12.316 -10.137 -6.327 1.00 34.11 C ATOM 407 NZ LYS A 24 -13.801 -10.057 -6.409 1.00 2.14 N ATOM 0 H LYS A 24 -8.733 -9.631 -2.816 1.00 72.52 H new ATOM 0 HA LYS A 24 -9.445 -12.316 -2.335 1.00 71.42 H new ATOM 0 HB2 LYS A 24 -11.206 -11.833 -4.042 1.00 24.35 H new ATOM 0 HB3 LYS A 24 -11.117 -10.629 -2.773 1.00 24.35 H new ATOM 0 HG2 LYS A 24 -9.817 -9.139 -4.274 1.00 75.44 H new ATOM 0 HG3 LYS A 24 -9.900 -10.344 -5.544 1.00 75.44 H new ATOM 0 HD2 LYS A 24 -12.487 -9.471 -4.292 1.00 3.13 H new ATOM 0 HD3 LYS A 24 -11.676 -8.334 -5.351 1.00 3.13 H new ATOM 0 HE2 LYS A 24 -11.879 -9.720 -7.234 1.00 34.11 H new ATOM 0 HE3 LYS A 24 -12.011 -11.182 -6.278 1.00 34.11 H new ATOM 0 HZ1 LYS A 24 -14.131 -10.576 -7.248 1.00 2.14 H new ATOM 0 HZ2 LYS A 24 -14.219 -10.478 -5.555 1.00 2.14 H new ATOM 0 HZ3 LYS A 24 -14.092 -9.061 -6.482 1.00 2.14 H new ATOM 421 N LEU A 25 -7.824 -11.715 -5.117 1.00 60.12 N ATOM 422 CA LEU A 25 -7.142 -12.343 -6.244 1.00 52.54 C ATOM 423 C LEU A 25 -5.929 -13.138 -5.771 1.00 24.31 C ATOM 424 O LEU A 25 -5.650 -14.226 -6.279 1.00 72.45 O ATOM 425 CB LEU A 25 -6.706 -11.282 -7.257 1.00 22.34 C ATOM 426 CG LEU A 25 -7.586 -11.139 -8.499 1.00 14.33 C ATOM 427 CD1 LEU A 25 -7.030 -10.070 -9.426 1.00 74.23 C ATOM 428 CD2 LEU A 25 -7.703 -12.471 -9.226 1.00 54.25 C ATOM 0 H LEU A 25 -7.646 -10.715 -5.020 1.00 60.12 H new ATOM 0 HA LEU A 25 -7.840 -13.029 -6.723 1.00 52.54 H new ATOM 0 HB2 LEU A 25 -6.668 -10.318 -6.750 1.00 22.34 H new ATOM 0 HB3 LEU A 25 -5.691 -11.512 -7.580 1.00 22.34 H new ATOM 0 HG LEU A 25 -8.583 -10.833 -8.182 1.00 14.33 H new ATOM 0 HD11 LEU A 25 -7.669 -9.982 -10.305 1.00 74.23 H new ATOM 0 HD12 LEU A 25 -6.999 -9.114 -8.902 1.00 74.23 H new ATOM 0 HD13 LEU A 25 -6.022 -10.346 -9.737 1.00 74.23 H new ATOM 0 HD21 LEU A 25 -8.333 -12.350 -10.107 1.00 54.25 H new ATOM 0 HD22 LEU A 25 -6.712 -12.807 -9.531 1.00 54.25 H new ATOM 0 HD23 LEU A 25 -8.148 -13.211 -8.561 1.00 54.25 H new ATOM 440 N LEU A 26 -5.213 -12.592 -4.795 1.00 12.14 N ATOM 441 CA LEU A 26 -4.031 -13.253 -4.251 1.00 12.44 C ATOM 442 C LEU A 26 -4.341 -14.698 -3.871 1.00 75.12 C ATOM 443 O LEU A 26 -3.619 -15.617 -4.253 1.00 71.01 O ATOM 444 CB LEU A 26 -3.515 -12.492 -3.028 1.00 61.14 C ATOM 445 CG LEU A 26 -2.349 -11.534 -3.277 1.00 64.21 C ATOM 446 CD1 LEU A 26 -2.320 -10.443 -2.219 1.00 43.05 C ATOM 447 CD2 LEU A 26 -1.031 -12.295 -3.299 1.00 3.50 C ATOM 0 H LEU A 26 -5.430 -11.693 -4.364 1.00 12.14 H new ATOM 0 HA LEU A 26 -3.260 -13.257 -5.022 1.00 12.44 H new ATOM 0 HB2 LEU A 26 -4.342 -11.923 -2.603 1.00 61.14 H new ATOM 0 HB3 LEU A 26 -3.208 -13.219 -2.276 1.00 61.14 H new ATOM 0 HG LEU A 26 -2.490 -11.063 -4.250 1.00 64.21 H new ATOM 0 HD11 LEU A 26 -1.484 -9.771 -2.412 1.00 43.05 H new ATOM 0 HD12 LEU A 26 -3.253 -9.880 -2.251 1.00 43.05 H new ATOM 0 HD13 LEU A 26 -2.202 -10.894 -1.234 1.00 43.05 H new ATOM 0 HD21 LEU A 26 -0.212 -11.599 -3.477 1.00 3.50 H new ATOM 0 HD22 LEU A 26 -0.882 -12.793 -2.341 1.00 3.50 H new ATOM 0 HD23 LEU A 26 -1.054 -13.039 -4.095 1.00 3.50 H new ATOM 459 N GLU A 27 -5.421 -14.888 -3.119 1.00 53.23 N ATOM 460 CA GLU A 27 -5.827 -16.221 -2.690 1.00 44.04 C ATOM 461 C GLU A 27 -6.785 -16.849 -3.697 1.00 74.05 C ATOM 462 O GLU A 27 -7.416 -17.867 -3.418 1.00 30.13 O ATOM 463 CB GLU A 27 -6.486 -16.158 -1.311 1.00 13.22 C ATOM 464 CG GLU A 27 -5.629 -15.478 -0.256 1.00 32.11 C ATOM 465 CD GLU A 27 -5.267 -16.406 0.886 1.00 3.34 C ATOM 466 OE1 GLU A 27 -4.112 -16.884 0.919 1.00 33.13 O ATOM 467 OE2 GLU A 27 -6.135 -16.655 1.749 1.00 5.30 O ATOM 0 H GLU A 27 -6.030 -14.136 -2.795 1.00 53.23 H new ATOM 0 HA GLU A 27 -4.934 -16.843 -2.629 1.00 44.04 H new ATOM 0 HB2 GLU A 27 -7.434 -15.626 -1.395 1.00 13.22 H new ATOM 0 HB3 GLU A 27 -6.717 -17.171 -0.982 1.00 13.22 H new ATOM 0 HG2 GLU A 27 -4.716 -15.105 -0.720 1.00 32.11 H new ATOM 0 HG3 GLU A 27 -6.163 -14.613 0.138 1.00 32.11 H new ATOM 475 N GLY A 28 -6.890 -16.232 -4.870 1.00 31.21 N ATOM 476 CA GLY A 28 -7.774 -16.744 -5.901 1.00 51.32 C ATOM 477 C GLY A 28 -7.429 -18.162 -6.309 1.00 32.45 C ATOM 478 O GLY A 28 -8.224 -18.838 -6.961 1.00 74.44 O ATOM 0 H GLY A 28 -6.379 -15.387 -5.125 1.00 31.21 H new ATOM 0 HA2 GLY A 28 -8.803 -16.713 -5.542 1.00 51.32 H new ATOM 0 HA3 GLY A 28 -7.722 -16.095 -6.775 1.00 51.32 H new ATOM 482 N GLY A 29 -6.240 -18.615 -5.924 1.00 42.23 N ATOM 483 CA GLY A 29 -5.813 -19.959 -6.265 1.00 3.22 C ATOM 484 C GLY A 29 -4.348 -20.021 -6.651 1.00 41.02 C ATOM 485 O GLY A 29 -3.993 -20.610 -7.672 1.00 5.01 O ATOM 0 H GLY A 29 -5.565 -18.075 -5.382 1.00 42.23 H new ATOM 0 HA2 GLY A 29 -5.990 -20.620 -5.416 1.00 3.22 H new ATOM 0 HA3 GLY A 29 -6.419 -20.331 -7.091 1.00 3.22 H new ATOM 489 N GLY A 30 -3.495 -19.410 -5.835 1.00 21.13 N ATOM 490 CA GLY A 30 -2.071 -19.409 -6.115 1.00 22.04 C ATOM 491 C GLY A 30 -1.400 -20.709 -5.714 1.00 54.25 C ATOM 492 O GLY A 30 -0.575 -21.242 -6.454 1.00 10.01 O ATOM 0 H GLY A 30 -3.765 -18.915 -4.985 1.00 21.13 H new ATOM 0 HA2 GLY A 30 -1.913 -19.236 -7.179 1.00 22.04 H new ATOM 0 HA3 GLY A 30 -1.600 -18.582 -5.584 1.00 22.04 H new ATOM 496 N GLY A 31 -1.755 -21.218 -4.539 1.00 45.42 N ATOM 497 CA GLY A 31 -1.170 -22.458 -4.061 1.00 55.40 C ATOM 498 C GLY A 31 -0.037 -22.224 -3.081 1.00 52.13 C ATOM 499 O GLY A 31 0.893 -21.470 -3.365 1.00 41.24 O ATOM 0 H GLY A 31 -2.437 -20.795 -3.909 1.00 45.42 H new ATOM 0 HA2 GLY A 31 -1.942 -23.060 -3.582 1.00 55.40 H new ATOM 0 HA3 GLY A 31 -0.799 -23.032 -4.910 1.00 55.40 H new ATOM 503 N GLY A 32 -0.115 -22.871 -1.923 1.00 31.31 N ATOM 504 CA GLY A 32 0.918 -22.716 -0.915 1.00 34.12 C ATOM 505 C GLY A 32 0.401 -22.965 0.488 1.00 12.00 C ATOM 506 O GLY A 32 -0.244 -23.980 0.748 1.00 1.34 O ATOM 0 H GLY A 32 -0.875 -23.500 -1.664 1.00 31.31 H new ATOM 0 HA2 GLY A 32 1.734 -23.407 -1.126 1.00 34.12 H new ATOM 0 HA3 GLY A 32 1.330 -21.709 -0.974 1.00 34.12 H new ATOM 510 N GLY A 33 0.686 -22.035 1.396 1.00 22.23 N ATOM 511 CA GLY A 33 0.239 -22.179 2.768 1.00 11.55 C ATOM 512 C GLY A 33 0.900 -21.183 3.701 1.00 45.23 C ATOM 513 O GLY A 33 1.755 -21.549 4.506 1.00 63.45 O ATOM 0 H GLY A 33 1.218 -21.186 1.205 1.00 22.23 H new ATOM 0 HA2 GLY A 33 -0.842 -22.049 2.810 1.00 11.55 H new ATOM 0 HA3 GLY A 33 0.452 -23.191 3.112 1.00 11.55 H new ATOM 517 N GLY A 34 0.505 -19.918 3.590 1.00 14.02 N ATOM 518 CA GLY A 34 1.077 -18.885 4.435 1.00 34.35 C ATOM 519 C GLY A 34 0.032 -18.182 5.280 1.00 63.42 C ATOM 520 O GLY A 34 -0.539 -17.177 4.862 1.00 72.11 O ATOM 0 H GLY A 34 -0.201 -19.590 2.930 1.00 14.02 H new ATOM 0 HA2 GLY A 34 1.829 -19.329 5.088 1.00 34.35 H new ATOM 0 HA3 GLY A 34 1.589 -18.152 3.811 1.00 34.35 H new ATOM 524 N GLY A 35 -0.218 -18.715 6.471 1.00 10.41 N ATOM 525 CA GLY A 35 -1.202 -18.120 7.357 1.00 43.10 C ATOM 526 C GLY A 35 -0.959 -16.640 7.584 1.00 64.30 C ATOM 527 O GLY A 35 -1.587 -15.798 6.944 1.00 54.34 O ATOM 0 H GLY A 35 0.242 -19.548 6.839 1.00 10.41 H new ATOM 0 HA2 GLY A 35 -2.198 -18.261 6.936 1.00 43.10 H new ATOM 0 HA3 GLY A 35 -1.184 -18.639 8.315 1.00 43.10 H new ATOM 531 N GLU A 36 -0.046 -16.325 8.497 1.00 72.21 N ATOM 532 CA GLU A 36 0.275 -14.937 8.807 1.00 44.04 C ATOM 533 C GLU A 36 0.863 -14.229 7.589 1.00 11.05 C ATOM 534 O GLU A 36 0.836 -13.001 7.498 1.00 63.30 O ATOM 535 CB GLU A 36 1.262 -14.868 9.975 1.00 11.31 C ATOM 536 CG GLU A 36 1.920 -13.508 10.135 1.00 11.40 C ATOM 537 CD GLU A 36 2.854 -13.449 11.329 1.00 41.33 C ATOM 538 OE1 GLU A 36 4.000 -13.932 11.209 1.00 53.31 O ATOM 539 OE2 GLU A 36 2.440 -12.921 12.382 1.00 55.45 O ATOM 0 H GLU A 36 0.484 -17.011 9.034 1.00 72.21 H new ATOM 0 HA GLU A 36 -0.649 -14.432 9.089 1.00 44.04 H new ATOM 0 HB2 GLU A 36 0.739 -15.120 10.897 1.00 11.31 H new ATOM 0 HB3 GLU A 36 2.036 -15.622 9.831 1.00 11.31 H new ATOM 0 HG2 GLU A 36 2.478 -13.270 9.230 1.00 11.40 H new ATOM 0 HG3 GLU A 36 1.149 -12.746 10.244 1.00 11.40 H new ATOM 547 N LEU A 37 1.391 -15.012 6.656 1.00 62.52 N ATOM 548 CA LEU A 37 1.985 -14.462 5.442 1.00 11.31 C ATOM 549 C LEU A 37 1.031 -13.484 4.764 1.00 51.21 C ATOM 550 O LEU A 37 1.457 -12.475 4.203 1.00 71.25 O ATOM 551 CB LEU A 37 2.352 -15.588 4.474 1.00 24.44 C ATOM 552 CG LEU A 37 2.589 -15.174 3.021 1.00 35.34 C ATOM 553 CD1 LEU A 37 3.810 -14.276 2.914 1.00 43.11 C ATOM 554 CD2 LEU A 37 2.747 -16.402 2.135 1.00 14.20 C ATOM 0 H LEU A 37 1.420 -16.030 6.716 1.00 62.52 H new ATOM 0 HA LEU A 37 2.890 -13.923 5.722 1.00 11.31 H new ATOM 0 HB2 LEU A 37 3.253 -16.078 4.843 1.00 24.44 H new ATOM 0 HB3 LEU A 37 1.555 -16.331 4.494 1.00 24.44 H new ATOM 0 HG LEU A 37 1.720 -14.613 2.677 1.00 35.34 H new ATOM 0 HD11 LEU A 37 3.963 -13.992 1.873 1.00 43.11 H new ATOM 0 HD12 LEU A 37 3.657 -13.380 3.516 1.00 43.11 H new ATOM 0 HD13 LEU A 37 4.688 -14.811 3.276 1.00 43.11 H new ATOM 0 HD21 LEU A 37 2.915 -16.088 1.105 1.00 14.20 H new ATOM 0 HD22 LEU A 37 3.597 -16.991 2.478 1.00 14.20 H new ATOM 0 HD23 LEU A 37 1.842 -17.007 2.187 1.00 14.20 H new ATOM 566 N MET A 38 -0.261 -13.788 4.823 1.00 24.40 N ATOM 567 CA MET A 38 -1.276 -12.935 4.217 1.00 53.21 C ATOM 568 C MET A 38 -1.461 -11.654 5.025 1.00 4.45 C ATOM 569 O MET A 38 -1.717 -10.587 4.467 1.00 43.20 O ATOM 570 CB MET A 38 -2.607 -13.682 4.111 1.00 4.40 C ATOM 571 CG MET A 38 -3.772 -12.795 3.707 1.00 41.14 C ATOM 572 SD MET A 38 -4.741 -13.494 2.357 1.00 71.45 S ATOM 573 CE MET A 38 -3.571 -13.380 1.005 1.00 12.55 C ATOM 0 H MET A 38 -0.630 -14.619 5.285 1.00 24.40 H new ATOM 0 HA MET A 38 -0.939 -12.668 3.216 1.00 53.21 H new ATOM 0 HB2 MET A 38 -2.505 -14.487 3.384 1.00 4.40 H new ATOM 0 HB3 MET A 38 -2.831 -14.146 5.071 1.00 4.40 H new ATOM 0 HG2 MET A 38 -4.419 -12.637 4.570 1.00 41.14 H new ATOM 0 HG3 MET A 38 -3.393 -11.817 3.409 1.00 41.14 H new ATOM 0 HE1 MET A 38 -4.086 -13.041 0.106 1.00 12.55 H new ATOM 0 HE2 MET A 38 -2.785 -12.670 1.263 1.00 12.55 H new ATOM 0 HE3 MET A 38 -3.129 -14.360 0.823 1.00 12.55 H new ATOM 583 N LYS A 39 -1.332 -11.768 6.343 1.00 43.44 N ATOM 584 CA LYS A 39 -1.484 -10.619 7.229 1.00 64.14 C ATOM 585 C LYS A 39 -0.485 -9.523 6.875 1.00 41.34 C ATOM 586 O LYS A 39 -0.738 -8.340 7.104 1.00 74.12 O ATOM 587 CB LYS A 39 -1.295 -11.045 8.686 1.00 31.33 C ATOM 588 CG LYS A 39 -1.587 -9.939 9.686 1.00 24.11 C ATOM 589 CD LYS A 39 -0.530 -9.881 10.777 1.00 71.14 C ATOM 590 CE LYS A 39 -1.151 -9.623 12.141 1.00 21.45 C ATOM 591 NZ LYS A 39 -0.225 -8.883 13.041 1.00 2.12 N ATOM 0 H LYS A 39 -1.123 -12.644 6.821 1.00 43.44 H new ATOM 0 HA LYS A 39 -2.491 -10.223 7.100 1.00 64.14 H new ATOM 0 HB2 LYS A 39 -1.946 -11.894 8.895 1.00 31.33 H new ATOM 0 HB3 LYS A 39 -0.270 -11.388 8.825 1.00 31.33 H new ATOM 0 HG2 LYS A 39 -1.630 -8.981 9.168 1.00 24.11 H new ATOM 0 HG3 LYS A 39 -2.567 -10.103 10.135 1.00 24.11 H new ATOM 0 HD2 LYS A 39 0.023 -10.820 10.800 1.00 71.14 H new ATOM 0 HD3 LYS A 39 0.188 -9.094 10.548 1.00 71.14 H new ATOM 0 HE2 LYS A 39 -2.072 -9.052 12.019 1.00 21.45 H new ATOM 0 HE3 LYS A 39 -1.423 -10.573 12.602 1.00 21.45 H new ATOM 0 HZ1 LYS A 39 -0.685 -8.727 13.960 1.00 2.12 H new ATOM 0 HZ2 LYS A 39 0.643 -9.439 13.178 1.00 2.12 H new ATOM 0 HZ3 LYS A 39 0.015 -7.966 12.614 1.00 2.12 H new ATOM 605 N LEU A 40 0.652 -9.923 6.315 1.00 32.33 N ATOM 606 CA LEU A 40 1.690 -8.974 5.927 1.00 12.04 C ATOM 607 C LEU A 40 1.160 -7.977 4.902 1.00 44.51 C ATOM 608 O LEU A 40 1.136 -6.770 5.150 1.00 23.21 O ATOM 609 CB LEU A 40 2.900 -9.716 5.357 1.00 12.42 C ATOM 610 CG LEU A 40 4.154 -9.726 6.231 1.00 3.15 C ATOM 611 CD1 LEU A 40 5.237 -10.587 5.601 1.00 45.12 C ATOM 612 CD2 LEU A 40 4.660 -8.309 6.456 1.00 51.23 C ATOM 0 H LEU A 40 0.878 -10.898 6.120 1.00 32.33 H new ATOM 0 HA LEU A 40 1.996 -8.424 6.817 1.00 12.04 H new ATOM 0 HB2 LEU A 40 2.609 -10.748 5.162 1.00 12.42 H new ATOM 0 HB3 LEU A 40 3.155 -9.270 4.396 1.00 12.42 H new ATOM 0 HG LEU A 40 3.895 -10.155 7.199 1.00 3.15 H new ATOM 0 HD11 LEU A 40 6.122 -10.582 6.237 1.00 45.12 H new ATOM 0 HD12 LEU A 40 4.873 -11.609 5.494 1.00 45.12 H new ATOM 0 HD13 LEU A 40 5.494 -10.188 4.620 1.00 45.12 H new ATOM 0 HD21 LEU A 40 5.553 -8.336 7.080 1.00 51.23 H new ATOM 0 HD22 LEU A 40 4.902 -7.852 5.496 1.00 51.23 H new ATOM 0 HD23 LEU A 40 3.888 -7.722 6.953 1.00 51.23 H new ATOM 624 N CYS A 41 0.736 -8.488 3.752 1.00 50.32 N ATOM 625 CA CYS A 41 0.205 -7.642 2.688 1.00 10.43 C ATOM 626 C CYS A 41 -1.139 -7.044 3.090 1.00 43.24 C ATOM 627 O CYS A 41 -1.485 -5.937 2.676 1.00 23.21 O ATOM 628 CB CYS A 41 0.054 -8.445 1.397 1.00 64.20 C ATOM 629 SG CYS A 41 -1.079 -9.849 1.529 1.00 62.01 S ATOM 0 H CYS A 41 0.749 -9.484 3.532 1.00 50.32 H new ATOM 0 HA CYS A 41 0.909 -6.827 2.519 1.00 10.43 H new ATOM 0 HB2 CYS A 41 -0.298 -7.781 0.608 1.00 64.20 H new ATOM 0 HB3 CYS A 41 1.035 -8.811 1.092 1.00 64.20 H new ATOM 0 HG CYS A 41 -1.304 -10.109 2.783 1.00 62.01 H new ATOM 635 N GLU A 42 -1.893 -7.783 3.898 1.00 51.02 N ATOM 636 CA GLU A 42 -3.200 -7.326 4.353 1.00 73.34 C ATOM 637 C GLU A 42 -3.092 -5.970 5.044 1.00 12.20 C ATOM 638 O GLU A 42 -4.055 -5.205 5.086 1.00 44.51 O ATOM 639 CB GLU A 42 -3.820 -8.349 5.306 1.00 54.53 C ATOM 640 CG GLU A 42 -5.175 -7.930 5.852 1.00 73.42 C ATOM 641 CD GLU A 42 -6.043 -9.115 6.230 1.00 53.24 C ATOM 642 OE1 GLU A 42 -6.317 -9.954 5.346 1.00 5.21 O ATOM 643 OE2 GLU A 42 -6.450 -9.201 7.407 1.00 41.02 O ATOM 0 H GLU A 42 -1.621 -8.701 4.251 1.00 51.02 H new ATOM 0 HA GLU A 42 -3.843 -7.219 3.479 1.00 73.34 H new ATOM 0 HB2 GLU A 42 -3.926 -9.300 4.785 1.00 54.53 H new ATOM 0 HB3 GLU A 42 -3.138 -8.516 6.140 1.00 54.53 H new ATOM 0 HG2 GLU A 42 -5.030 -7.297 6.727 1.00 73.42 H new ATOM 0 HG3 GLU A 42 -5.693 -7.328 5.105 1.00 73.42 H new ATOM 651 N GLU A 43 -1.913 -5.680 5.586 1.00 24.53 N ATOM 652 CA GLU A 43 -1.679 -4.418 6.277 1.00 14.24 C ATOM 653 C GLU A 43 -2.031 -3.234 5.381 1.00 34.14 C ATOM 654 O GLU A 43 -2.424 -2.172 5.864 1.00 44.04 O ATOM 655 CB GLU A 43 -0.219 -4.318 6.723 1.00 54.22 C ATOM 656 CG GLU A 43 0.199 -5.413 7.689 1.00 75.12 C ATOM 657 CD GLU A 43 0.499 -4.883 9.078 1.00 54.41 C ATOM 658 OE1 GLU A 43 0.169 -5.578 10.061 1.00 11.23 O ATOM 659 OE2 GLU A 43 1.062 -3.774 9.181 1.00 44.41 O ATOM 0 H GLU A 43 -1.105 -6.302 5.560 1.00 24.53 H new ATOM 0 HA GLU A 43 -2.322 -4.390 7.156 1.00 14.24 H new ATOM 0 HB2 GLU A 43 0.424 -4.356 5.844 1.00 54.22 H new ATOM 0 HB3 GLU A 43 -0.058 -3.348 7.194 1.00 54.22 H new ATOM 0 HG2 GLU A 43 -0.594 -6.159 7.752 1.00 75.12 H new ATOM 0 HG3 GLU A 43 1.082 -5.919 7.299 1.00 75.12 H new ATOM 667 N ALA A 44 -1.889 -3.426 4.073 1.00 2.42 N ATOM 668 CA ALA A 44 -2.193 -2.376 3.110 1.00 52.34 C ATOM 669 C ALA A 44 -3.586 -1.802 3.344 1.00 0.41 C ATOM 670 O ALA A 44 -3.781 -0.587 3.310 1.00 11.13 O ATOM 671 CB ALA A 44 -2.072 -2.910 1.691 1.00 71.44 C ATOM 0 H ALA A 44 -1.565 -4.299 3.657 1.00 2.42 H new ATOM 0 HA ALA A 44 -1.470 -1.572 3.247 1.00 52.34 H new ATOM 0 HB1 ALA A 44 -2.302 -2.115 0.982 1.00 71.44 H new ATOM 0 HB2 ALA A 44 -1.055 -3.265 1.521 1.00 71.44 H new ATOM 0 HB3 ALA A 44 -2.772 -3.734 1.551 1.00 71.44 H new ATOM 677 N ALA A 45 -4.551 -2.683 3.582 1.00 35.11 N ATOM 678 CA ALA A 45 -5.926 -2.264 3.824 1.00 54.33 C ATOM 679 C ALA A 45 -6.083 -1.678 5.223 1.00 35.44 C ATOM 680 O ALA A 45 -7.006 -0.905 5.484 1.00 72.33 O ATOM 681 CB ALA A 45 -6.877 -3.435 3.629 1.00 21.05 C ATOM 0 H ALA A 45 -4.406 -3.692 3.612 1.00 35.11 H new ATOM 0 HA ALA A 45 -6.175 -1.485 3.103 1.00 54.33 H new ATOM 0 HB1 ALA A 45 -7.900 -3.107 3.813 1.00 21.05 H new ATOM 0 HB2 ALA A 45 -6.793 -3.806 2.607 1.00 21.05 H new ATOM 0 HB3 ALA A 45 -6.620 -4.232 4.327 1.00 21.05 H new ATOM 687 N LYS A 46 -5.180 -2.052 6.121 1.00 65.05 N ATOM 688 CA LYS A 46 -5.216 -1.563 7.494 1.00 22.44 C ATOM 689 C LYS A 46 -4.687 -0.135 7.579 1.00 20.32 C ATOM 690 O LYS A 46 -5.329 0.742 8.157 1.00 74.41 O ATOM 691 CB LYS A 46 -4.394 -2.478 8.405 1.00 71.14 C ATOM 692 CG LYS A 46 -5.216 -3.162 9.483 1.00 1.04 C ATOM 693 CD LYS A 46 -5.602 -4.575 9.079 1.00 43.32 C ATOM 694 CE LYS A 46 -7.032 -4.900 9.482 1.00 72.13 C ATOM 695 NZ LYS A 46 -7.138 -6.241 10.120 1.00 4.31 N ATOM 0 H LYS A 46 -4.412 -2.694 5.923 1.00 65.05 H new ATOM 0 HA LYS A 46 -6.254 -1.567 7.826 1.00 22.44 H new ATOM 0 HB2 LYS A 46 -3.905 -3.238 7.796 1.00 71.14 H new ATOM 0 HB3 LYS A 46 -3.606 -1.892 8.878 1.00 71.14 H new ATOM 0 HG2 LYS A 46 -4.647 -3.191 10.412 1.00 1.04 H new ATOM 0 HG3 LYS A 46 -6.117 -2.580 9.679 1.00 1.04 H new ATOM 0 HD2 LYS A 46 -5.492 -4.689 8.001 1.00 43.32 H new ATOM 0 HD3 LYS A 46 -4.921 -5.287 9.546 1.00 43.32 H new ATOM 0 HE2 LYS A 46 -7.396 -4.140 10.173 1.00 72.13 H new ATOM 0 HE3 LYS A 46 -7.674 -4.865 8.602 1.00 72.13 H new ATOM 0 HZ1 LYS A 46 -8.128 -6.425 10.380 1.00 4.31 H new ATOM 0 HZ2 LYS A 46 -6.815 -6.970 9.452 1.00 4.31 H new ATOM 0 HZ3 LYS A 46 -6.545 -6.267 10.974 1.00 4.31 H new ATOM 709 N LYS A 47 -3.514 0.091 6.998 1.00 2.33 N ATOM 710 CA LYS A 47 -2.899 1.413 7.005 1.00 41.54 C ATOM 711 C LYS A 47 -3.683 2.382 6.125 1.00 2.43 C ATOM 712 O LYS A 47 -3.973 3.508 6.532 1.00 23.54 O ATOM 713 CB LYS A 47 -1.450 1.327 6.521 1.00 4.44 C ATOM 714 CG LYS A 47 -0.528 0.603 7.487 1.00 20.52 C ATOM 715 CD LYS A 47 -0.364 1.374 8.786 1.00 33.03 C ATOM 716 CE LYS A 47 -0.587 0.480 9.996 1.00 11.35 C ATOM 717 NZ LYS A 47 -2.032 0.361 10.339 1.00 32.41 N ATOM 0 H LYS A 47 -2.970 -0.625 6.516 1.00 2.33 H new ATOM 0 HA LYS A 47 -2.912 1.787 8.029 1.00 41.54 H new ATOM 0 HB2 LYS A 47 -1.427 0.816 5.558 1.00 4.44 H new ATOM 0 HB3 LYS A 47 -1.070 2.335 6.356 1.00 4.44 H new ATOM 0 HG2 LYS A 47 -0.928 -0.388 7.699 1.00 20.52 H new ATOM 0 HG3 LYS A 47 0.447 0.460 7.022 1.00 20.52 H new ATOM 0 HD2 LYS A 47 0.636 1.806 8.830 1.00 33.03 H new ATOM 0 HD3 LYS A 47 -1.071 2.204 8.810 1.00 33.03 H new ATOM 0 HE2 LYS A 47 -0.178 -0.511 9.796 1.00 11.35 H new ATOM 0 HE3 LYS A 47 -0.043 0.883 10.850 1.00 11.35 H new ATOM 0 HZ1 LYS A 47 -2.142 -0.256 11.169 1.00 32.41 H new ATOM 0 HZ2 LYS A 47 -2.416 1.303 10.555 1.00 32.41 H new ATOM 0 HZ3 LYS A 47 -2.548 -0.047 9.533 1.00 32.41 H new ATOM 731 N ALA A 48 -4.023 1.938 4.920 1.00 0.23 N ATOM 732 CA ALA A 48 -4.777 2.764 3.987 1.00 73.45 C ATOM 733 C ALA A 48 -6.036 3.324 4.640 1.00 64.32 C ATOM 734 O ALA A 48 -6.329 4.513 4.526 1.00 41.43 O ATOM 735 CB ALA A 48 -5.135 1.963 2.743 1.00 31.02 C ATOM 0 H ALA A 48 -3.788 1.010 4.567 1.00 0.23 H new ATOM 0 HA ALA A 48 -4.148 3.605 3.696 1.00 73.45 H new ATOM 0 HB1 ALA A 48 -5.698 2.593 2.054 1.00 31.02 H new ATOM 0 HB2 ALA A 48 -4.222 1.619 2.256 1.00 31.02 H new ATOM 0 HB3 ALA A 48 -5.741 1.103 3.026 1.00 31.02 H new ATOM 741 N GLU A 49 -6.777 2.456 5.323 1.00 54.11 N ATOM 742 CA GLU A 49 -8.006 2.865 5.993 1.00 73.41 C ATOM 743 C GLU A 49 -7.698 3.603 7.292 1.00 52.01 C ATOM 744 O GLU A 49 -8.434 4.503 7.695 1.00 1.23 O ATOM 745 CB GLU A 49 -8.886 1.646 6.281 1.00 40.55 C ATOM 746 CG GLU A 49 -10.336 1.997 6.568 1.00 31.23 C ATOM 747 CD GLU A 49 -10.705 1.806 8.026 1.00 61.03 C ATOM 748 OE1 GLU A 49 -9.976 2.329 8.895 1.00 25.12 O ATOM 749 OE2 GLU A 49 -11.722 1.135 8.298 1.00 11.14 O ATOM 0 H GLU A 49 -6.548 1.467 5.427 1.00 54.11 H new ATOM 0 HA GLU A 49 -8.543 3.543 5.330 1.00 73.41 H new ATOM 0 HB2 GLU A 49 -8.847 0.970 5.427 1.00 40.55 H new ATOM 0 HB3 GLU A 49 -8.476 1.106 7.134 1.00 40.55 H new ATOM 0 HG2 GLU A 49 -10.518 3.033 6.284 1.00 31.23 H new ATOM 0 HG3 GLU A 49 -10.985 1.378 5.949 1.00 31.23 H new ATOM 757 N GLU A 50 -6.605 3.215 7.942 1.00 71.04 N ATOM 758 CA GLU A 50 -6.201 3.840 9.195 1.00 1.04 C ATOM 759 C GLU A 50 -5.885 5.318 8.990 1.00 65.11 C ATOM 760 O GLU A 50 -6.394 6.179 9.709 1.00 45.33 O ATOM 761 CB GLU A 50 -4.981 3.122 9.778 1.00 2.21 C ATOM 762 CG GLU A 50 -5.336 2.018 10.760 1.00 21.43 C ATOM 763 CD GLU A 50 -5.196 2.455 12.205 1.00 55.12 C ATOM 764 OE1 GLU A 50 -4.130 2.197 12.802 1.00 51.42 O ATOM 765 OE2 GLU A 50 -6.153 3.054 12.739 1.00 75.11 O ATOM 0 H GLU A 50 -5.984 2.472 7.622 1.00 71.04 H new ATOM 0 HA GLU A 50 -7.032 3.759 9.896 1.00 1.04 H new ATOM 0 HB2 GLU A 50 -4.396 2.697 8.962 1.00 2.21 H new ATOM 0 HB3 GLU A 50 -4.346 3.852 10.279 1.00 2.21 H new ATOM 0 HG2 GLU A 50 -6.361 1.693 10.580 1.00 21.43 H new ATOM 0 HG3 GLU A 50 -4.692 1.157 10.581 1.00 21.43 H new ATOM 773 N LEU A 51 -5.041 5.605 8.005 1.00 50.44 N ATOM 774 CA LEU A 51 -4.656 6.979 7.704 1.00 2.51 C ATOM 775 C LEU A 51 -5.807 7.738 7.053 1.00 71.51 C ATOM 776 O LEU A 51 -6.039 8.910 7.349 1.00 63.01 O ATOM 777 CB LEU A 51 -3.433 6.997 6.786 1.00 72.32 C ATOM 778 CG LEU A 51 -3.650 6.463 5.369 1.00 23.15 C ATOM 779 CD1 LEU A 51 -4.073 7.585 4.434 1.00 70.44 C ATOM 780 CD2 LEU A 51 -2.387 5.785 4.856 1.00 34.04 C ATOM 0 H LEU A 51 -4.610 4.905 7.401 1.00 50.44 H new ATOM 0 HA LEU A 51 -4.405 7.474 8.642 1.00 2.51 H new ATOM 0 HB2 LEU A 51 -3.072 8.023 6.715 1.00 72.32 H new ATOM 0 HB3 LEU A 51 -2.642 6.413 7.256 1.00 72.32 H new ATOM 0 HG LEU A 51 -4.450 5.723 5.398 1.00 23.15 H new ATOM 0 HD11 LEU A 51 -4.223 7.186 3.431 1.00 70.44 H new ATOM 0 HD12 LEU A 51 -5.004 8.025 4.792 1.00 70.44 H new ATOM 0 HD13 LEU A 51 -3.296 8.349 4.408 1.00 70.44 H new ATOM 0 HD21 LEU A 51 -2.559 5.411 3.847 1.00 34.04 H new ATOM 0 HD22 LEU A 51 -1.568 6.504 4.842 1.00 34.04 H new ATOM 0 HD23 LEU A 51 -2.128 4.954 5.512 1.00 34.04 H new ATOM 792 N PHE A 52 -6.528 7.061 6.165 1.00 61.21 N ATOM 793 CA PHE A 52 -7.656 7.670 5.472 1.00 72.41 C ATOM 794 C PHE A 52 -8.746 8.076 6.459 1.00 50.32 C ATOM 795 O PHE A 52 -9.551 8.966 6.183 1.00 41.44 O ATOM 796 CB PHE A 52 -8.228 6.702 4.434 1.00 2.04 C ATOM 797 CG PHE A 52 -9.509 7.178 3.811 1.00 15.25 C ATOM 798 CD1 PHE A 52 -9.500 8.182 2.856 1.00 2.34 C ATOM 799 CD2 PHE A 52 -10.724 6.622 4.180 1.00 44.11 C ATOM 800 CE1 PHE A 52 -10.677 8.623 2.283 1.00 33.42 C ATOM 801 CE2 PHE A 52 -11.904 7.058 3.610 1.00 62.51 C ATOM 802 CZ PHE A 52 -11.881 8.059 2.659 1.00 24.43 C ATOM 0 H PHE A 52 -6.350 6.090 5.909 1.00 61.21 H new ATOM 0 HA PHE A 52 -7.297 8.566 4.965 1.00 72.41 H new ATOM 0 HB2 PHE A 52 -7.488 6.545 3.649 1.00 2.04 H new ATOM 0 HB3 PHE A 52 -8.401 5.735 4.907 1.00 2.04 H new ATOM 0 HD1 PHE A 52 -8.562 8.625 2.556 1.00 2.34 H new ATOM 0 HD2 PHE A 52 -10.748 5.838 4.922 1.00 44.11 H new ATOM 0 HE1 PHE A 52 -10.656 9.408 1.542 1.00 33.42 H new ATOM 0 HE2 PHE A 52 -12.844 6.617 3.908 1.00 62.51 H new ATOM 0 HZ PHE A 52 -12.802 8.400 2.210 1.00 24.43 H new ATOM 812 N LYS A 53 -8.767 7.417 7.612 1.00 30.44 N ATOM 813 CA LYS A 53 -9.756 7.707 8.644 1.00 74.34 C ATOM 814 C LYS A 53 -9.589 9.128 9.172 1.00 15.50 C ATOM 815 O LYS A 53 -10.508 9.944 9.090 1.00 51.14 O ATOM 816 CB LYS A 53 -9.633 6.706 9.793 1.00 1.35 C ATOM 817 CG LYS A 53 -10.902 6.567 10.617 1.00 3.42 C ATOM 818 CD LYS A 53 -11.716 5.358 10.188 1.00 23.30 C ATOM 819 CE LYS A 53 -13.129 5.409 10.750 1.00 72.13 C ATOM 820 NZ LYS A 53 -13.391 4.287 11.693 1.00 32.40 N ATOM 0 H LYS A 53 -8.109 6.677 7.856 1.00 30.44 H new ATOM 0 HA LYS A 53 -10.747 7.618 8.199 1.00 74.34 H new ATOM 0 HB2 LYS A 53 -9.365 5.731 9.387 1.00 1.35 H new ATOM 0 HB3 LYS A 53 -8.817 7.014 10.447 1.00 1.35 H new ATOM 0 HG2 LYS A 53 -10.644 6.477 11.672 1.00 3.42 H new ATOM 0 HG3 LYS A 53 -11.505 7.469 10.512 1.00 3.42 H new ATOM 0 HD2 LYS A 53 -11.758 5.314 9.100 1.00 23.30 H new ATOM 0 HD3 LYS A 53 -11.222 4.447 10.525 1.00 23.30 H new ATOM 0 HE2 LYS A 53 -13.282 6.358 11.264 1.00 72.13 H new ATOM 0 HE3 LYS A 53 -13.847 5.370 9.931 1.00 72.13 H new ATOM 0 HZ1 LYS A 53 -14.364 4.357 12.054 1.00 32.40 H new ATOM 0 HZ2 LYS A 53 -13.270 3.381 11.197 1.00 32.40 H new ATOM 0 HZ3 LYS A 53 -12.722 4.338 12.488 1.00 32.40 H new ATOM 834 N LEU A 54 -8.411 9.419 9.713 1.00 64.00 N ATOM 835 CA LEU A 54 -8.123 10.743 10.254 1.00 32.12 C ATOM 836 C LEU A 54 -7.871 11.746 9.132 1.00 10.33 C ATOM 837 O LEU A 54 -8.194 12.927 9.260 1.00 74.45 O ATOM 838 CB LEU A 54 -6.909 10.683 11.182 1.00 2.43 C ATOM 839 CG LEU A 54 -7.015 11.486 12.479 1.00 10.33 C ATOM 840 CD1 LEU A 54 -7.300 12.949 12.180 1.00 61.45 C ATOM 841 CD2 LEU A 54 -8.095 10.903 13.379 1.00 50.40 C ATOM 0 H LEU A 54 -7.640 8.756 9.789 1.00 64.00 H new ATOM 0 HA LEU A 54 -8.992 11.073 10.824 1.00 32.12 H new ATOM 0 HB2 LEU A 54 -6.724 9.640 11.438 1.00 2.43 H new ATOM 0 HB3 LEU A 54 -6.037 11.035 10.630 1.00 2.43 H new ATOM 0 HG LEU A 54 -6.061 11.424 13.002 1.00 10.33 H new ATOM 0 HD11 LEU A 54 -7.372 13.504 13.115 1.00 61.45 H new ATOM 0 HD12 LEU A 54 -6.492 13.361 11.575 1.00 61.45 H new ATOM 0 HD13 LEU A 54 -8.240 13.033 11.635 1.00 61.45 H new ATOM 0 HD21 LEU A 54 -8.157 11.486 14.298 1.00 50.40 H new ATOM 0 HD22 LEU A 54 -9.055 10.935 12.863 1.00 50.40 H new ATOM 0 HD23 LEU A 54 -7.848 9.870 13.622 1.00 50.40 H new ATOM 853 N ALA A 55 -7.295 11.267 8.036 1.00 70.35 N ATOM 854 CA ALA A 55 -7.004 12.121 6.890 1.00 5.32 C ATOM 855 C ALA A 55 -8.248 12.882 6.444 1.00 61.23 C ATOM 856 O ALA A 55 -8.175 14.063 6.105 1.00 3.12 O ATOM 857 CB ALA A 55 -6.448 11.292 5.741 1.00 1.12 C ATOM 0 H ALA A 55 -7.020 10.292 7.916 1.00 70.35 H new ATOM 0 HA ALA A 55 -6.253 12.851 7.192 1.00 5.32 H new ATOM 0 HB1 ALA A 55 -6.235 11.942 4.893 1.00 1.12 H new ATOM 0 HB2 ALA A 55 -5.529 10.799 6.059 1.00 1.12 H new ATOM 0 HB3 ALA A 55 -7.180 10.540 5.447 1.00 1.12 H new ATOM 863 N GLU A 56 -9.387 12.197 6.443 1.00 2.52 N ATOM 864 CA GLU A 56 -10.646 12.810 6.035 1.00 60.10 C ATOM 865 C GLU A 56 -10.921 14.076 6.842 1.00 2.11 C ATOM 866 O GLU A 56 -11.612 14.981 6.377 1.00 14.24 O ATOM 867 CB GLU A 56 -11.800 11.820 6.209 1.00 75.34 C ATOM 868 CG GLU A 56 -12.351 11.769 7.623 1.00 51.35 C ATOM 869 CD GLU A 56 -13.121 10.493 7.904 1.00 61.13 C ATOM 870 OE1 GLU A 56 -12.954 9.520 7.138 1.00 15.53 O ATOM 871 OE2 GLU A 56 -13.888 10.467 8.889 1.00 70.54 O ATOM 0 H GLU A 56 -9.464 11.218 6.720 1.00 2.52 H new ATOM 0 HA GLU A 56 -10.565 13.081 4.982 1.00 60.10 H new ATOM 0 HB2 GLU A 56 -12.604 12.089 5.524 1.00 75.34 H new ATOM 0 HB3 GLU A 56 -11.459 10.824 5.925 1.00 75.34 H new ATOM 0 HG2 GLU A 56 -11.528 11.856 8.333 1.00 51.35 H new ATOM 0 HG3 GLU A 56 -13.004 12.626 7.785 1.00 51.35 H new ATOM 879 N GLU A 57 -10.376 14.128 8.054 1.00 70.14 N ATOM 880 CA GLU A 57 -10.563 15.282 8.925 1.00 12.02 C ATOM 881 C GLU A 57 -9.886 16.520 8.344 1.00 14.33 C ATOM 882 O GLU A 57 -10.522 17.556 8.152 1.00 52.31 O ATOM 883 CB GLU A 57 -10.008 14.991 10.321 1.00 25.41 C ATOM 884 CG GLU A 57 -10.324 16.072 11.340 1.00 63.13 C ATOM 885 CD GLU A 57 -9.246 16.211 12.397 1.00 51.00 C ATOM 886 OE1 GLU A 57 -9.492 15.803 13.552 1.00 63.22 O ATOM 887 OE2 GLU A 57 -8.157 16.728 12.070 1.00 1.51 O ATOM 0 H GLU A 57 -9.802 13.385 8.454 1.00 70.14 H new ATOM 0 HA GLU A 57 -11.633 15.477 9.000 1.00 12.02 H new ATOM 0 HB2 GLU A 57 -10.413 14.042 10.673 1.00 25.41 H new ATOM 0 HB3 GLU A 57 -8.927 14.871 10.255 1.00 25.41 H new ATOM 0 HG2 GLU A 57 -10.449 17.025 10.826 1.00 63.13 H new ATOM 0 HG3 GLU A 57 -11.274 15.844 11.823 1.00 63.13 H new ATOM 895 N ARG A 58 -8.591 16.403 8.067 1.00 73.40 N ATOM 896 CA ARG A 58 -7.827 17.512 7.510 1.00 62.20 C ATOM 897 C ARG A 58 -8.096 17.661 6.015 1.00 1.03 C ATOM 898 O ARG A 58 -7.760 18.681 5.411 1.00 22.31 O ATOM 899 CB ARG A 58 -6.331 17.300 7.751 1.00 52.32 C ATOM 900 CG ARG A 58 -5.731 16.184 6.912 1.00 51.14 C ATOM 901 CD ARG A 58 -5.140 15.088 7.784 1.00 24.03 C ATOM 902 NE ARG A 58 -4.200 15.618 8.768 1.00 52.11 N ATOM 903 CZ ARG A 58 -3.678 14.893 9.751 1.00 44.10 C ATOM 904 NH1 ARG A 58 -4.000 13.614 9.879 1.00 20.43 N ATOM 905 NH2 ARG A 58 -2.829 15.447 10.608 1.00 71.15 N ATOM 0 H ARG A 58 -8.050 15.552 8.219 1.00 73.40 H new ATOM 0 HA ARG A 58 -8.143 18.427 8.012 1.00 62.20 H new ATOM 0 HB2 ARG A 58 -5.802 18.229 7.537 1.00 52.32 H new ATOM 0 HB3 ARG A 58 -6.170 17.077 8.806 1.00 52.32 H new ATOM 0 HG2 ARG A 58 -6.499 15.761 6.265 1.00 51.14 H new ATOM 0 HG3 ARG A 58 -4.956 16.592 6.263 1.00 51.14 H new ATOM 0 HD2 ARG A 58 -5.944 14.561 8.298 1.00 24.03 H new ATOM 0 HD3 ARG A 58 -4.632 14.358 7.154 1.00 24.03 H new ATOM 0 HE ARG A 58 -3.929 16.599 8.696 1.00 52.11 H new ATOM 0 HH11 ARG A 58 -4.650 13.184 9.222 1.00 20.43 H new ATOM 0 HH12 ARG A 58 -3.597 13.060 10.635 1.00 20.43 H new ATOM 0 HH21 ARG A 58 -2.577 16.431 10.512 1.00 71.15 H new ATOM 0 HH22 ARG A 58 -2.429 14.889 11.362 1.00 71.15 H new ATOM 919 N LEU A 59 -8.702 16.639 5.423 1.00 30.05 N ATOM 920 CA LEU A 59 -9.017 16.655 3.999 1.00 23.43 C ATOM 921 C LEU A 59 -10.373 17.306 3.747 1.00 4.13 C ATOM 922 O LEU A 59 -10.458 18.375 3.143 1.00 63.04 O ATOM 923 CB LEU A 59 -9.010 15.231 3.439 1.00 30.21 C ATOM 924 CG LEU A 59 -7.636 14.577 3.286 1.00 72.43 C ATOM 925 CD1 LEU A 59 -7.781 13.082 3.046 1.00 23.13 C ATOM 926 CD2 LEU A 59 -6.860 15.228 2.150 1.00 0.11 C ATOM 0 H LEU A 59 -8.986 15.787 5.907 1.00 30.05 H new ATOM 0 HA LEU A 59 -8.253 17.243 3.490 1.00 23.43 H new ATOM 0 HB2 LEU A 59 -9.619 14.603 4.090 1.00 30.21 H new ATOM 0 HB3 LEU A 59 -9.495 15.243 2.463 1.00 30.21 H new ATOM 0 HG LEU A 59 -7.079 14.724 4.211 1.00 72.43 H new ATOM 0 HD11 LEU A 59 -6.793 12.633 2.939 1.00 23.13 H new ATOM 0 HD12 LEU A 59 -8.298 12.626 3.891 1.00 23.13 H new ATOM 0 HD13 LEU A 59 -8.356 12.914 2.135 1.00 23.13 H new ATOM 0 HD21 LEU A 59 -5.885 14.751 2.055 1.00 0.11 H new ATOM 0 HD22 LEU A 59 -7.413 15.112 1.218 1.00 0.11 H new ATOM 0 HD23 LEU A 59 -6.726 16.289 2.362 1.00 0.11 H new ATOM 938 N LYS A 60 -11.432 16.655 4.217 1.00 1.11 N ATOM 939 CA LYS A 60 -12.784 17.171 4.048 1.00 34.41 C ATOM 940 C LYS A 60 -13.489 17.305 5.393 1.00 12.42 C ATOM 941 O LYS A 60 -13.550 18.392 5.969 1.00 4.15 O ATOM 942 CB LYS A 60 -13.591 16.253 3.126 1.00 11.34 C ATOM 943 CG LYS A 60 -13.057 14.832 3.066 1.00 74.21 C ATOM 944 CD LYS A 60 -11.980 14.686 2.003 1.00 34.23 C ATOM 945 CE LYS A 60 -12.494 13.924 0.791 1.00 43.25 C ATOM 946 NZ LYS A 60 -12.904 12.536 1.141 1.00 60.31 N ATOM 0 H LYS A 60 -11.379 15.768 4.718 1.00 1.11 H new ATOM 0 HA LYS A 60 -12.714 18.160 3.596 1.00 34.41 H new ATOM 0 HB2 LYS A 60 -14.626 16.229 3.466 1.00 11.34 H new ATOM 0 HB3 LYS A 60 -13.595 16.674 2.121 1.00 11.34 H new ATOM 0 HG2 LYS A 60 -12.650 14.554 4.038 1.00 74.21 H new ATOM 0 HG3 LYS A 60 -13.875 14.143 2.854 1.00 74.21 H new ATOM 0 HD2 LYS A 60 -11.635 15.673 1.694 1.00 34.23 H new ATOM 0 HD3 LYS A 60 -11.120 14.165 2.424 1.00 34.23 H new ATOM 0 HE2 LYS A 60 -13.343 14.456 0.361 1.00 43.25 H new ATOM 0 HE3 LYS A 60 -11.718 13.891 0.027 1.00 43.25 H new ATOM 0 HZ1 LYS A 60 -12.792 11.921 0.310 1.00 60.31 H new ATOM 0 HZ2 LYS A 60 -12.307 12.183 1.916 1.00 60.31 H new ATOM 0 HZ3 LYS A 60 -13.899 12.534 1.442 1.00 60.31 H new ATOM 960 N LYS A 61 -14.019 16.193 5.892 1.00 72.44 N ATOM 961 CA LYS A 61 -14.717 16.184 7.172 1.00 35.20 C ATOM 962 C LYS A 61 -15.287 14.801 7.471 1.00 31.23 C ATOM 963 O LYS A 61 -14.973 14.198 8.498 1.00 24.22 O ATOM 964 CB LYS A 61 -15.842 17.222 7.170 1.00 35.44 C ATOM 965 CG LYS A 61 -15.658 18.321 8.201 1.00 65.13 C ATOM 966 CD LYS A 61 -16.351 19.605 7.777 1.00 51.13 C ATOM 967 CE LYS A 61 -16.475 20.581 8.937 1.00 61.11 C ATOM 968 NZ LYS A 61 -17.338 20.042 10.024 1.00 43.44 N ATOM 0 H LYS A 61 -13.978 15.285 5.428 1.00 72.44 H new ATOM 0 HA LYS A 61 -13.998 16.438 7.951 1.00 35.20 H new ATOM 0 HB2 LYS A 61 -15.908 17.672 6.179 1.00 35.44 H new ATOM 0 HB3 LYS A 61 -16.791 16.718 7.354 1.00 35.44 H new ATOM 0 HG2 LYS A 61 -16.056 17.991 9.161 1.00 65.13 H new ATOM 0 HG3 LYS A 61 -14.594 18.511 8.346 1.00 65.13 H new ATOM 0 HD2 LYS A 61 -15.791 20.071 6.966 1.00 51.13 H new ATOM 0 HD3 LYS A 61 -17.342 19.373 7.388 1.00 51.13 H new ATOM 0 HE2 LYS A 61 -15.484 20.800 9.335 1.00 61.11 H new ATOM 0 HE3 LYS A 61 -16.890 21.523 8.577 1.00 61.11 H new ATOM 0 HZ1 LYS A 61 -17.689 20.826 10.610 1.00 43.44 H new ATOM 0 HZ2 LYS A 61 -18.144 19.533 9.608 1.00 43.44 H new ATOM 0 HZ3 LYS A 61 -16.785 19.389 10.615 1.00 43.44 H new ATOM 982 N LEU A 62 -16.125 14.304 6.569 1.00 14.33 N ATOM 983 CA LEU A 62 -16.738 12.991 6.736 1.00 35.30 C ATOM 984 C LEU A 62 -17.653 12.968 7.956 1.00 33.12 C ATOM 985 O LEU A 62 -18.606 13.743 8.009 1.00 73.43 O ATOM 986 CB LEU A 62 -15.658 11.916 6.873 1.00 14.45 C ATOM 987 CG LEU A 62 -15.733 10.759 5.875 1.00 5.43 C ATOM 988 CD1 LEU A 62 -17.095 10.089 5.936 1.00 33.03 C ATOM 989 CD2 LEU A 62 -15.439 11.251 4.466 1.00 3.42 C ATOM 0 H LEU A 62 -16.396 14.790 5.714 1.00 14.33 H new ATOM 0 HA LEU A 62 -17.339 12.783 5.851 1.00 35.30 H new ATOM 0 HB2 LEU A 62 -14.683 12.394 6.773 1.00 14.45 H new ATOM 0 HB3 LEU A 62 -15.709 11.504 7.881 1.00 14.45 H new ATOM 0 HG LEU A 62 -14.977 10.021 6.145 1.00 5.43 H new ATOM 0 HD11 LEU A 62 -17.129 9.269 5.219 1.00 33.03 H new ATOM 0 HD12 LEU A 62 -17.265 9.701 6.940 1.00 33.03 H new ATOM 0 HD13 LEU A 62 -17.869 10.816 5.692 1.00 33.03 H new ATOM 0 HD21 LEU A 62 -15.497 10.415 3.769 1.00 3.42 H new ATOM 0 HD22 LEU A 62 -16.171 12.009 4.185 1.00 3.42 H new ATOM 0 HD23 LEU A 62 -14.439 11.683 4.433 1.00 3.42 H new ATOM 1002 N MET B 1 13.234 -23.165 -8.412 1.00 3.42 N ATOM 1003 CA MET B 1 12.129 -23.266 -9.358 1.00 20.21 C ATOM 1004 C MET B 1 11.037 -22.253 -9.030 1.00 3.22 C ATOM 1005 O MET B 1 10.555 -22.189 -7.898 1.00 44.02 O ATOM 1006 CB MET B 1 11.548 -24.682 -9.346 1.00 75.13 C ATOM 1007 CG MET B 1 12.156 -25.596 -10.398 1.00 21.13 C ATOM 1008 SD MET B 1 12.970 -27.036 -9.679 1.00 73.34 S ATOM 1009 CE MET B 1 12.643 -28.272 -10.934 1.00 54.35 C ATOM 0 H1 MET B 1 13.965 -23.864 -8.656 1.00 3.42 H new ATOM 0 H2 MET B 1 13.641 -22.209 -8.455 1.00 3.42 H new ATOM 0 H3 MET B 1 12.885 -23.350 -7.450 1.00 3.42 H new ATOM 0 HA MET B 1 12.515 -23.047 -10.354 1.00 20.21 H new ATOM 0 HB2 MET B 1 11.703 -25.122 -8.361 1.00 75.13 H new ATOM 0 HB3 MET B 1 10.471 -24.626 -9.504 1.00 75.13 H new ATOM 0 HG2 MET B 1 11.374 -25.928 -11.081 1.00 21.13 H new ATOM 0 HG3 MET B 1 12.878 -25.033 -10.990 1.00 21.13 H new ATOM 0 HE1 MET B 1 13.085 -29.222 -10.633 1.00 54.35 H new ATOM 0 HE2 MET B 1 11.566 -28.394 -11.053 1.00 54.35 H new ATOM 0 HE3 MET B 1 13.078 -27.953 -11.881 1.00 54.35 H new ATOM 1019 N LYS B 2 10.652 -21.462 -10.025 1.00 13.31 N ATOM 1020 CA LYS B 2 9.616 -20.452 -9.843 1.00 64.42 C ATOM 1021 C LYS B 2 9.105 -19.947 -11.189 1.00 25.10 C ATOM 1022 O LYS B 2 9.831 -19.961 -12.185 1.00 15.44 O ATOM 1023 CB LYS B 2 10.156 -19.281 -9.019 1.00 20.33 C ATOM 1024 CG LYS B 2 11.283 -18.525 -9.702 1.00 33.13 C ATOM 1025 CD LYS B 2 12.642 -18.967 -9.187 1.00 51.15 C ATOM 1026 CE LYS B 2 13.467 -19.622 -10.285 1.00 30.03 C ATOM 1027 NZ LYS B 2 14.927 -19.538 -10.006 1.00 43.32 N ATOM 0 H LYS B 2 11.042 -21.501 -10.967 1.00 13.31 H new ATOM 0 HA LYS B 2 8.785 -20.912 -9.308 1.00 64.42 H new ATOM 0 HB2 LYS B 2 9.341 -18.589 -8.809 1.00 20.33 H new ATOM 0 HB3 LYS B 2 10.511 -19.656 -8.059 1.00 20.33 H new ATOM 0 HG2 LYS B 2 11.231 -18.686 -10.779 1.00 33.13 H new ATOM 0 HG3 LYS B 2 11.159 -17.455 -9.534 1.00 33.13 H new ATOM 0 HD2 LYS B 2 13.180 -18.106 -8.791 1.00 51.15 H new ATOM 0 HD3 LYS B 2 12.510 -19.668 -8.362 1.00 51.15 H new ATOM 0 HE2 LYS B 2 13.176 -20.668 -10.384 1.00 30.03 H new ATOM 0 HE3 LYS B 2 13.251 -19.140 -11.238 1.00 30.03 H new ATOM 0 HZ1 LYS B 2 15.455 -19.995 -10.777 1.00 43.32 H new ATOM 0 HZ2 LYS B 2 15.210 -18.540 -9.937 1.00 43.32 H new ATOM 0 HZ3 LYS B 2 15.137 -20.020 -9.109 1.00 43.32 H new ATOM 1041 N LYS B 3 7.854 -19.502 -11.213 1.00 34.31 N ATOM 1042 CA LYS B 3 7.247 -18.990 -12.435 1.00 31.11 C ATOM 1043 C LYS B 3 5.816 -18.530 -12.181 1.00 14.43 C ATOM 1044 O LYS B 3 5.371 -17.519 -12.728 1.00 31.34 O ATOM 1045 CB LYS B 3 7.260 -20.065 -13.525 1.00 63.02 C ATOM 1046 CG LYS B 3 8.272 -19.801 -14.627 1.00 65.22 C ATOM 1047 CD LYS B 3 8.837 -21.095 -15.187 1.00 4.05 C ATOM 1048 CE LYS B 3 10.216 -20.885 -15.794 1.00 21.34 C ATOM 1049 NZ LYS B 3 10.894 -22.177 -16.091 1.00 74.51 N ATOM 0 H LYS B 3 7.240 -19.486 -10.399 1.00 34.31 H new ATOM 0 HA LYS B 3 7.832 -18.133 -12.769 1.00 31.11 H new ATOM 0 HB2 LYS B 3 7.476 -21.031 -13.068 1.00 63.02 H new ATOM 0 HB3 LYS B 3 6.266 -20.136 -13.966 1.00 63.02 H new ATOM 0 HG2 LYS B 3 7.799 -19.233 -15.428 1.00 65.22 H new ATOM 0 HG3 LYS B 3 9.084 -19.187 -14.237 1.00 65.22 H new ATOM 0 HD2 LYS B 3 8.897 -21.840 -14.394 1.00 4.05 H new ATOM 0 HD3 LYS B 3 8.161 -21.490 -15.945 1.00 4.05 H new ATOM 0 HE2 LYS B 3 10.124 -20.304 -16.712 1.00 21.34 H new ATOM 0 HE3 LYS B 3 10.830 -20.302 -15.107 1.00 21.34 H new ATOM 0 HZ1 LYS B 3 11.830 -21.991 -16.503 1.00 74.51 H new ATOM 0 HZ2 LYS B 3 11.005 -22.721 -15.212 1.00 74.51 H new ATOM 0 HZ3 LYS B 3 10.321 -22.723 -16.766 1.00 74.51 H new ATOM 1063 N LEU B 4 5.098 -19.273 -11.345 1.00 43.41 N ATOM 1064 CA LEU B 4 3.718 -18.940 -11.015 1.00 74.44 C ATOM 1065 C LEU B 4 3.653 -18.026 -9.796 1.00 64.04 C ATOM 1066 O LEU B 4 2.810 -17.134 -9.720 1.00 14.42 O ATOM 1067 CB LEU B 4 2.912 -20.214 -10.754 1.00 50.33 C ATOM 1068 CG LEU B 4 2.346 -20.915 -11.990 1.00 40.32 C ATOM 1069 CD1 LEU B 4 1.384 -19.998 -12.729 1.00 22.31 C ATOM 1070 CD2 LEU B 4 3.471 -21.365 -12.910 1.00 52.32 C ATOM 0 H LEU B 4 5.450 -20.111 -10.883 1.00 43.41 H new ATOM 0 HA LEU B 4 3.286 -18.412 -11.865 1.00 74.44 H new ATOM 0 HB2 LEU B 4 3.548 -20.920 -10.220 1.00 50.33 H new ATOM 0 HB3 LEU B 4 2.084 -19.966 -10.090 1.00 50.33 H new ATOM 0 HG LEU B 4 1.796 -21.798 -11.664 1.00 40.32 H new ATOM 0 HD11 LEU B 4 0.991 -20.513 -13.606 1.00 22.31 H new ATOM 0 HD12 LEU B 4 0.561 -19.726 -12.068 1.00 22.31 H new ATOM 0 HD13 LEU B 4 1.910 -19.096 -13.043 1.00 22.31 H new ATOM 0 HD21 LEU B 4 3.050 -21.862 -13.784 1.00 52.32 H new ATOM 0 HD22 LEU B 4 4.049 -20.498 -13.229 1.00 52.32 H new ATOM 0 HD23 LEU B 4 4.121 -22.058 -12.377 1.00 52.32 H new ATOM 1082 N ARG B 5 4.554 -18.253 -8.845 1.00 51.20 N ATOM 1083 CA ARG B 5 4.601 -17.449 -7.630 1.00 41.20 C ATOM 1084 C ARG B 5 5.057 -16.026 -7.937 1.00 1.55 C ATOM 1085 O ARG B 5 4.551 -15.064 -7.358 1.00 25.24 O ATOM 1086 CB ARG B 5 5.543 -18.088 -6.606 1.00 31.32 C ATOM 1087 CG ARG B 5 5.303 -19.575 -6.404 1.00 25.51 C ATOM 1088 CD ARG B 5 5.840 -20.049 -5.062 1.00 73.42 C ATOM 1089 NE ARG B 5 6.687 -21.231 -5.198 1.00 40.13 N ATOM 1090 CZ ARG B 5 6.228 -22.428 -5.544 1.00 43.11 C ATOM 1091 NH1 ARG B 5 4.937 -22.601 -5.789 1.00 20.50 N ATOM 1092 NH2 ARG B 5 7.062 -23.456 -5.646 1.00 43.45 N ATOM 0 H ARG B 5 5.261 -18.987 -8.893 1.00 51.20 H new ATOM 0 HA ARG B 5 3.595 -17.408 -7.213 1.00 41.20 H new ATOM 0 HB2 ARG B 5 6.573 -17.935 -6.927 1.00 31.32 H new ATOM 0 HB3 ARG B 5 5.428 -17.577 -5.650 1.00 31.32 H new ATOM 0 HG2 ARG B 5 4.235 -19.784 -6.464 1.00 25.51 H new ATOM 0 HG3 ARG B 5 5.783 -20.134 -7.207 1.00 25.51 H new ATOM 0 HD2 ARG B 5 6.411 -19.246 -4.596 1.00 73.42 H new ATOM 0 HD3 ARG B 5 5.006 -20.275 -4.397 1.00 73.42 H new ATOM 0 HE ARG B 5 7.686 -21.132 -5.017 1.00 40.13 H new ATOM 0 HH11 ARG B 5 4.293 -21.814 -5.712 1.00 20.50 H new ATOM 0 HH12 ARG B 5 4.587 -23.522 -6.055 1.00 20.50 H new ATOM 0 HH21 ARG B 5 8.056 -23.327 -5.458 1.00 43.45 H new ATOM 0 HH22 ARG B 5 6.708 -24.375 -5.912 1.00 43.45 H new ATOM 1106 N GLU B 6 6.015 -15.900 -8.849 1.00 41.20 N ATOM 1107 CA GLU B 6 6.539 -14.594 -9.230 1.00 73.31 C ATOM 1108 C GLU B 6 5.411 -13.659 -9.657 1.00 73.01 C ATOM 1109 O GLU B 6 5.485 -12.447 -9.455 1.00 64.13 O ATOM 1110 CB GLU B 6 7.554 -14.739 -10.367 1.00 11.35 C ATOM 1111 CG GLU B 6 8.927 -14.184 -10.030 1.00 62.43 C ATOM 1112 CD GLU B 6 9.567 -13.460 -11.199 1.00 64.21 C ATOM 1113 OE1 GLU B 6 9.182 -12.302 -11.462 1.00 11.33 O ATOM 1114 OE2 GLU B 6 10.453 -14.053 -11.852 1.00 14.13 O ATOM 0 H GLU B 6 6.444 -16.686 -9.338 1.00 41.20 H new ATOM 0 HA GLU B 6 7.036 -14.163 -8.361 1.00 73.31 H new ATOM 0 HB2 GLU B 6 7.651 -15.794 -10.624 1.00 11.35 H new ATOM 0 HB3 GLU B 6 7.172 -14.229 -11.251 1.00 11.35 H new ATOM 0 HG2 GLU B 6 8.841 -13.499 -9.187 1.00 62.43 H new ATOM 0 HG3 GLU B 6 9.577 -15.000 -9.713 1.00 62.43 H new ATOM 1122 N GLU B 7 4.368 -14.232 -10.250 1.00 34.31 N ATOM 1123 CA GLU B 7 3.225 -13.450 -10.707 1.00 55.52 C ATOM 1124 C GLU B 7 2.649 -12.612 -9.568 1.00 22.41 C ATOM 1125 O GLU B 7 2.310 -11.443 -9.753 1.00 23.40 O ATOM 1126 CB GLU B 7 2.143 -14.370 -11.276 1.00 0.41 C ATOM 1127 CG GLU B 7 2.518 -14.998 -12.607 1.00 74.20 C ATOM 1128 CD GLU B 7 2.849 -13.966 -13.668 1.00 12.20 C ATOM 1129 OE1 GLU B 7 4.043 -13.828 -14.008 1.00 53.43 O ATOM 1130 OE2 GLU B 7 1.915 -13.296 -14.157 1.00 25.32 O ATOM 0 H GLU B 7 4.291 -15.234 -10.425 1.00 34.31 H new ATOM 0 HA GLU B 7 3.569 -12.777 -11.493 1.00 55.52 H new ATOM 0 HB2 GLU B 7 1.935 -15.161 -10.556 1.00 0.41 H new ATOM 0 HB3 GLU B 7 1.222 -13.801 -11.399 1.00 0.41 H new ATOM 0 HG2 GLU B 7 3.376 -15.655 -12.465 1.00 74.20 H new ATOM 0 HG3 GLU B 7 1.694 -15.620 -12.956 1.00 74.20 H new ATOM 1138 N ALA B 8 2.541 -13.220 -8.392 1.00 11.23 N ATOM 1139 CA ALA B 8 2.006 -12.531 -7.222 1.00 61.03 C ATOM 1140 C ALA B 8 2.979 -11.469 -6.719 1.00 32.43 C ATOM 1141 O ALA B 8 2.572 -10.482 -6.107 1.00 65.23 O ATOM 1142 CB ALA B 8 1.695 -13.530 -6.118 1.00 4.03 C ATOM 0 H ALA B 8 2.816 -14.187 -8.223 1.00 11.23 H new ATOM 0 HA ALA B 8 1.083 -12.031 -7.515 1.00 61.03 H new ATOM 0 HB1 ALA B 8 1.297 -13.002 -5.251 1.00 4.03 H new ATOM 0 HB2 ALA B 8 0.958 -14.249 -6.475 1.00 4.03 H new ATOM 0 HB3 ALA B 8 2.607 -14.055 -5.835 1.00 4.03 H new ATOM 1148 N ALA B 9 4.265 -11.680 -6.982 1.00 74.02 N ATOM 1149 CA ALA B 9 5.295 -10.740 -6.556 1.00 73.03 C ATOM 1150 C ALA B 9 5.035 -9.348 -7.124 1.00 44.45 C ATOM 1151 O ALA B 9 5.096 -8.351 -6.403 1.00 62.43 O ATOM 1152 CB ALA B 9 6.670 -11.236 -6.979 1.00 33.22 C ATOM 0 H ALA B 9 4.618 -12.493 -7.487 1.00 74.02 H new ATOM 0 HA ALA B 9 5.264 -10.673 -5.469 1.00 73.03 H new ATOM 0 HB1 ALA B 9 7.429 -10.524 -6.654 1.00 33.22 H new ATOM 0 HB2 ALA B 9 6.863 -12.206 -6.522 1.00 33.22 H new ATOM 0 HB3 ALA B 9 6.704 -11.333 -8.064 1.00 33.22 H new ATOM 1158 N LYS B 10 4.747 -9.286 -8.419 1.00 51.21 N ATOM 1159 CA LYS B 10 4.477 -8.017 -9.084 1.00 40.43 C ATOM 1160 C LYS B 10 3.341 -7.270 -8.392 1.00 40.10 C ATOM 1161 O LYS B 10 3.369 -6.044 -8.278 1.00 42.14 O ATOM 1162 CB LYS B 10 4.126 -8.253 -10.555 1.00 72.03 C ATOM 1163 CG LYS B 10 5.103 -9.166 -11.275 1.00 44.44 C ATOM 1164 CD LYS B 10 5.046 -8.966 -12.781 1.00 3.41 C ATOM 1165 CE LYS B 10 5.946 -7.824 -13.226 1.00 63.02 C ATOM 1166 NZ LYS B 10 5.752 -7.493 -14.664 1.00 72.01 N ATOM 0 H LYS B 10 4.694 -10.101 -9.030 1.00 51.21 H new ATOM 0 HA LYS B 10 5.378 -7.406 -9.025 1.00 40.43 H new ATOM 0 HB2 LYS B 10 3.127 -8.684 -10.617 1.00 72.03 H new ATOM 0 HB3 LYS B 10 4.092 -7.293 -11.070 1.00 72.03 H new ATOM 0 HG2 LYS B 10 6.115 -8.971 -10.919 1.00 44.44 H new ATOM 0 HG3 LYS B 10 4.876 -10.205 -11.036 1.00 44.44 H new ATOM 0 HD2 LYS B 10 5.348 -9.885 -13.283 1.00 3.41 H new ATOM 0 HD3 LYS B 10 4.019 -8.760 -13.083 1.00 3.41 H new ATOM 0 HE2 LYS B 10 5.740 -6.942 -12.619 1.00 63.02 H new ATOM 0 HE3 LYS B 10 6.988 -8.094 -13.053 1.00 63.02 H new ATOM 0 HZ1 LYS B 10 6.383 -6.710 -14.928 1.00 72.01 H new ATOM 0 HZ2 LYS B 10 5.973 -8.327 -15.245 1.00 72.01 H new ATOM 0 HZ3 LYS B 10 4.764 -7.211 -14.825 1.00 72.01 H new ATOM 1180 N LEU B 11 2.344 -8.017 -7.930 1.00 72.05 N ATOM 1181 CA LEU B 11 1.199 -7.425 -7.248 1.00 32.23 C ATOM 1182 C LEU B 11 1.653 -6.505 -6.119 1.00 52.04 C ATOM 1183 O LEU B 11 1.113 -5.413 -5.940 1.00 71.52 O ATOM 1184 CB LEU B 11 0.289 -8.522 -6.693 1.00 2.32 C ATOM 1185 CG LEU B 11 -0.152 -9.596 -7.687 1.00 11.24 C ATOM 1186 CD1 LEU B 11 -1.112 -10.574 -7.027 1.00 3.31 C ATOM 1187 CD2 LEU B 11 -0.796 -8.959 -8.910 1.00 13.12 C ATOM 0 H LEU B 11 2.306 -9.033 -8.015 1.00 72.05 H new ATOM 0 HA LEU B 11 0.642 -6.831 -7.973 1.00 32.23 H new ATOM 0 HB2 LEU B 11 0.805 -9.011 -5.867 1.00 2.32 H new ATOM 0 HB3 LEU B 11 -0.602 -8.051 -6.278 1.00 2.32 H new ATOM 0 HG LEU B 11 0.731 -10.147 -8.011 1.00 11.24 H new ATOM 0 HD11 LEU B 11 -1.415 -11.331 -7.750 1.00 3.31 H new ATOM 0 HD12 LEU B 11 -0.618 -11.056 -6.183 1.00 3.31 H new ATOM 0 HD13 LEU B 11 -1.992 -10.037 -6.674 1.00 3.31 H new ATOM 0 HD21 LEU B 11 -1.104 -9.739 -9.607 1.00 13.12 H new ATOM 0 HD22 LEU B 11 -1.668 -8.382 -8.603 1.00 13.12 H new ATOM 0 HD23 LEU B 11 -0.078 -8.300 -9.397 1.00 13.12 H new ATOM 1199 N PHE B 12 2.649 -6.953 -5.362 1.00 72.42 N ATOM 1200 CA PHE B 12 3.177 -6.169 -4.252 1.00 53.05 C ATOM 1201 C PHE B 12 4.026 -5.008 -4.761 1.00 53.12 C ATOM 1202 O PHE B 12 4.172 -3.990 -4.085 1.00 71.34 O ATOM 1203 CB PHE B 12 4.010 -7.056 -3.324 1.00 71.22 C ATOM 1204 CG PHE B 12 3.214 -8.142 -2.660 1.00 64.51 C ATOM 1205 CD1 PHE B 12 1.943 -7.888 -2.171 1.00 33.45 C ATOM 1206 CD2 PHE B 12 3.737 -9.418 -2.524 1.00 21.12 C ATOM 1207 CE1 PHE B 12 1.208 -8.886 -1.559 1.00 63.24 C ATOM 1208 CE2 PHE B 12 3.006 -10.421 -1.913 1.00 43.54 C ATOM 1209 CZ PHE B 12 1.741 -10.154 -1.430 1.00 71.04 C ATOM 0 H PHE B 12 3.107 -7.855 -5.497 1.00 72.42 H new ATOM 0 HA PHE B 12 2.334 -5.762 -3.694 1.00 53.05 H new ATOM 0 HB2 PHE B 12 4.820 -7.508 -3.897 1.00 71.22 H new ATOM 0 HB3 PHE B 12 4.471 -6.434 -2.557 1.00 71.22 H new ATOM 0 HD1 PHE B 12 1.521 -6.899 -2.269 1.00 33.45 H new ATOM 0 HD2 PHE B 12 4.727 -9.632 -2.899 1.00 21.12 H new ATOM 0 HE1 PHE B 12 0.218 -8.675 -1.182 1.00 63.24 H new ATOM 0 HE2 PHE B 12 3.425 -11.412 -1.814 1.00 43.54 H new ATOM 0 HZ PHE B 12 1.169 -10.935 -0.952 1.00 71.04 H new ATOM 1219 N GLU B 13 4.583 -5.169 -5.958 1.00 10.41 N ATOM 1220 CA GLU B 13 5.418 -4.135 -6.556 1.00 70.22 C ATOM 1221 C GLU B 13 4.683 -2.798 -6.599 1.00 60.41 C ATOM 1222 O GLU B 13 5.297 -1.738 -6.499 1.00 41.42 O ATOM 1223 CB GLU B 13 5.840 -4.543 -7.969 1.00 74.32 C ATOM 1224 CG GLU B 13 7.287 -4.211 -8.293 1.00 72.01 C ATOM 1225 CD GLU B 13 8.208 -5.404 -8.136 1.00 62.12 C ATOM 1226 OE1 GLU B 13 8.024 -6.172 -7.168 1.00 2.30 O ATOM 1227 OE2 GLU B 13 9.114 -5.571 -8.980 1.00 52.34 O ATOM 0 H GLU B 13 4.471 -6.005 -6.531 1.00 10.41 H new ATOM 0 HA GLU B 13 6.308 -4.020 -5.937 1.00 70.22 H new ATOM 0 HB2 GLU B 13 5.687 -5.615 -8.089 1.00 74.32 H new ATOM 0 HB3 GLU B 13 5.192 -4.045 -8.690 1.00 74.32 H new ATOM 0 HG2 GLU B 13 7.350 -3.840 -9.316 1.00 72.01 H new ATOM 0 HG3 GLU B 13 7.626 -3.406 -7.640 1.00 72.01 H new ATOM 1235 N GLU B 14 3.363 -2.860 -6.750 1.00 64.40 N ATOM 1236 CA GLU B 14 2.544 -1.656 -6.808 1.00 43.42 C ATOM 1237 C GLU B 14 2.544 -0.933 -5.463 1.00 72.33 C ATOM 1238 O GLU B 14 2.441 0.292 -5.406 1.00 32.21 O ATOM 1239 CB GLU B 14 1.111 -2.006 -7.212 1.00 52.32 C ATOM 1240 CG GLU B 14 1.026 -2.975 -8.378 1.00 62.32 C ATOM 1241 CD GLU B 14 -0.257 -2.825 -9.171 1.00 20.21 C ATOM 1242 OE1 GLU B 14 -1.263 -3.463 -8.797 1.00 23.43 O ATOM 1243 OE2 GLU B 14 -0.256 -2.069 -10.165 1.00 3.14 O ATOM 0 H GLU B 14 2.839 -3.731 -6.834 1.00 64.40 H new ATOM 0 HA GLU B 14 2.972 -0.991 -7.558 1.00 43.42 H new ATOM 0 HB2 GLU B 14 0.596 -2.438 -6.354 1.00 52.32 H new ATOM 0 HB3 GLU B 14 0.582 -1.089 -7.473 1.00 52.32 H new ATOM 0 HG2 GLU B 14 1.878 -2.817 -9.039 1.00 62.32 H new ATOM 0 HG3 GLU B 14 1.099 -3.996 -8.003 1.00 62.32 H new ATOM 1251 N TRP B 15 2.659 -1.701 -4.386 1.00 60.24 N ATOM 1252 CA TRP B 15 2.671 -1.135 -3.042 1.00 63.22 C ATOM 1253 C TRP B 15 3.934 -0.313 -2.808 1.00 71.42 C ATOM 1254 O TRP B 15 3.873 0.809 -2.308 1.00 13.42 O ATOM 1255 CB TRP B 15 2.571 -2.247 -1.997 1.00 73.43 C ATOM 1256 CG TRP B 15 1.996 -1.786 -0.692 1.00 42.24 C ATOM 1257 CD1 TRP B 15 1.491 -0.549 -0.410 1.00 53.11 C ATOM 1258 CD2 TRP B 15 1.870 -2.556 0.508 1.00 5.43 C ATOM 1259 NE1 TRP B 15 1.058 -0.504 0.893 1.00 53.12 N ATOM 1260 CE2 TRP B 15 1.279 -1.722 1.478 1.00 14.14 C ATOM 1261 CE3 TRP B 15 2.198 -3.869 0.858 1.00 0.43 C ATOM 1262 CZ2 TRP B 15 1.010 -2.160 2.772 1.00 42.03 C ATOM 1263 CZ3 TRP B 15 1.930 -4.301 2.143 1.00 3.44 C ATOM 1264 CH2 TRP B 15 1.341 -3.450 3.087 1.00 51.52 C ATOM 0 H TRP B 15 2.745 -2.717 -4.417 1.00 60.24 H new ATOM 0 HA TRP B 15 1.808 -0.476 -2.945 1.00 63.22 H new ATOM 0 HB2 TRP B 15 1.954 -3.053 -2.393 1.00 73.43 H new ATOM 0 HB3 TRP B 15 3.564 -2.662 -1.822 1.00 73.43 H new ATOM 0 HD1 TRP B 15 1.440 0.273 -1.109 1.00 53.11 H new ATOM 0 HE1 TRP B 15 0.640 0.306 1.351 1.00 53.12 H new ATOM 0 HE3 TRP B 15 2.652 -4.533 0.138 1.00 0.43 H new ATOM 0 HZ2 TRP B 15 0.556 -1.505 3.501 1.00 42.03 H new ATOM 0 HZ3 TRP B 15 2.179 -5.313 2.425 1.00 3.44 H new ATOM 0 HH2 TRP B 15 1.144 -3.819 4.083 1.00 51.52 H new ATOM 1275 N LYS B 16 5.079 -0.879 -3.177 1.00 4.43 N ATOM 1276 CA LYS B 16 6.358 -0.198 -3.008 1.00 35.54 C ATOM 1277 C LYS B 16 6.556 0.861 -4.088 1.00 13.15 C ATOM 1278 O LYS B 16 7.216 1.875 -3.863 1.00 65.14 O ATOM 1279 CB LYS B 16 7.506 -1.209 -3.054 1.00 74.41 C ATOM 1280 CG LYS B 16 7.796 -1.738 -4.448 1.00 33.15 C ATOM 1281 CD LYS B 16 8.895 -2.787 -4.429 1.00 33.42 C ATOM 1282 CE LYS B 16 10.269 -2.158 -4.604 1.00 11.32 C ATOM 1283 NZ LYS B 16 11.319 -3.183 -4.857 1.00 51.42 N ATOM 0 H LYS B 16 5.147 -1.807 -3.595 1.00 4.43 H new ATOM 0 HA LYS B 16 6.354 0.295 -2.036 1.00 35.54 H new ATOM 0 HB2 LYS B 16 8.407 -0.741 -2.658 1.00 74.41 H new ATOM 0 HB3 LYS B 16 7.267 -2.047 -2.399 1.00 74.41 H new ATOM 0 HG2 LYS B 16 6.888 -2.168 -4.871 1.00 33.15 H new ATOM 0 HG3 LYS B 16 8.090 -0.913 -5.097 1.00 33.15 H new ATOM 0 HD2 LYS B 16 8.861 -3.334 -3.487 1.00 33.42 H new ATOM 0 HD3 LYS B 16 8.721 -3.512 -5.224 1.00 33.42 H new ATOM 0 HE2 LYS B 16 10.242 -1.452 -5.434 1.00 11.32 H new ATOM 0 HE3 LYS B 16 10.525 -1.589 -3.710 1.00 11.32 H new ATOM 0 HZ1 LYS B 16 12.241 -2.715 -4.971 1.00 51.42 H new ATOM 0 HZ2 LYS B 16 11.362 -3.842 -4.053 1.00 51.42 H new ATOM 0 HZ3 LYS B 16 11.089 -3.709 -5.724 1.00 51.42 H new ATOM 1297 N LYS B 17 5.977 0.620 -5.260 1.00 42.45 N ATOM 1298 CA LYS B 17 6.087 1.555 -6.373 1.00 40.24 C ATOM 1299 C LYS B 17 5.209 2.781 -6.145 1.00 21.04 C ATOM 1300 O LYS B 17 5.686 3.915 -6.180 1.00 74.34 O ATOM 1301 CB LYS B 17 5.692 0.869 -7.683 1.00 20.53 C ATOM 1302 CG LYS B 17 5.986 1.701 -8.919 1.00 22.11 C ATOM 1303 CD LYS B 17 5.645 0.946 -10.193 1.00 54.24 C ATOM 1304 CE LYS B 17 6.896 0.435 -10.890 1.00 42.31 C ATOM 1305 NZ LYS B 17 7.517 1.478 -11.753 1.00 15.34 N ATOM 0 H LYS B 17 5.427 -0.215 -5.463 1.00 42.45 H new ATOM 0 HA LYS B 17 7.125 1.881 -6.438 1.00 40.24 H new ATOM 0 HB2 LYS B 17 6.222 -0.080 -7.760 1.00 20.53 H new ATOM 0 HB3 LYS B 17 4.627 0.638 -7.656 1.00 20.53 H new ATOM 0 HG2 LYS B 17 5.413 2.628 -8.880 1.00 22.11 H new ATOM 0 HG3 LYS B 17 7.040 1.978 -8.930 1.00 22.11 H new ATOM 0 HD2 LYS B 17 4.991 0.107 -9.956 1.00 54.24 H new ATOM 0 HD3 LYS B 17 5.093 1.600 -10.868 1.00 54.24 H new ATOM 0 HE2 LYS B 17 7.618 0.105 -10.143 1.00 42.31 H new ATOM 0 HE3 LYS B 17 6.644 -0.435 -11.496 1.00 42.31 H new ATOM 0 HZ1 LYS B 17 8.367 1.090 -12.210 1.00 15.34 H new ATOM 0 HZ2 LYS B 17 6.837 1.775 -12.482 1.00 15.34 H new ATOM 0 HZ3 LYS B 17 7.781 2.298 -11.171 1.00 15.34 H new ATOM 1319 N LEU B 18 3.922 2.546 -5.907 1.00 65.11 N ATOM 1320 CA LEU B 18 2.977 3.630 -5.671 1.00 33.01 C ATOM 1321 C LEU B 18 3.453 4.529 -4.534 1.00 30.15 C ATOM 1322 O LEU B 18 3.270 5.745 -4.572 1.00 32.53 O ATOM 1323 CB LEU B 18 1.593 3.065 -5.344 1.00 51.13 C ATOM 1324 CG LEU B 18 0.835 2.434 -6.512 1.00 21.14 C ATOM 1325 CD1 LEU B 18 -0.166 1.407 -6.004 1.00 21.24 C ATOM 1326 CD2 LEU B 18 0.133 3.505 -7.334 1.00 23.13 C ATOM 0 H LEU B 18 3.510 1.613 -5.873 1.00 65.11 H new ATOM 0 HA LEU B 18 2.913 4.228 -6.580 1.00 33.01 H new ATOM 0 HB2 LEU B 18 1.704 2.315 -4.561 1.00 51.13 H new ATOM 0 HB3 LEU B 18 0.982 3.868 -4.932 1.00 51.13 H new ATOM 0 HG LEU B 18 1.553 1.925 -7.155 1.00 21.14 H new ATOM 0 HD11 LEU B 18 -0.697 0.968 -6.849 1.00 21.24 H new ATOM 0 HD12 LEU B 18 0.361 0.624 -5.459 1.00 21.24 H new ATOM 0 HD13 LEU B 18 -0.880 1.893 -5.340 1.00 21.24 H new ATOM 0 HD21 LEU B 18 -0.401 3.037 -8.161 1.00 23.13 H new ATOM 0 HD22 LEU B 18 -0.575 4.043 -6.703 1.00 23.13 H new ATOM 0 HD23 LEU B 18 0.871 4.203 -7.728 1.00 23.13 H new ATOM 1338 N ALA B 19 4.066 3.921 -3.523 1.00 53.23 N ATOM 1339 CA ALA B 19 4.572 4.667 -2.377 1.00 63.21 C ATOM 1340 C ALA B 19 5.731 5.572 -2.780 1.00 41.02 C ATOM 1341 O ALA B 19 5.974 6.600 -2.149 1.00 45.33 O ATOM 1342 CB ALA B 19 5.006 3.710 -1.276 1.00 51.32 C ATOM 0 H ALA B 19 4.224 2.914 -3.474 1.00 53.23 H new ATOM 0 HA ALA B 19 3.767 5.298 -2.000 1.00 63.21 H new ATOM 0 HB1 ALA B 19 5.382 4.280 -0.426 1.00 51.32 H new ATOM 0 HB2 ALA B 19 4.154 3.108 -0.961 1.00 51.32 H new ATOM 0 HB3 ALA B 19 5.793 3.056 -1.651 1.00 51.32 H new ATOM 1348 N GLU B 20 6.442 5.184 -3.834 1.00 33.43 N ATOM 1349 CA GLU B 20 7.575 5.961 -4.319 1.00 10.40 C ATOM 1350 C GLU B 20 7.103 7.228 -5.028 1.00 63.14 C ATOM 1351 O GLU B 20 7.587 8.324 -4.748 1.00 35.41 O ATOM 1352 CB GLU B 20 8.431 5.121 -5.269 1.00 22.14 C ATOM 1353 CG GLU B 20 9.918 5.412 -5.169 1.00 42.23 C ATOM 1354 CD GLU B 20 10.589 4.644 -4.048 1.00 5.35 C ATOM 1355 OE1 GLU B 20 10.870 5.255 -2.995 1.00 53.33 O ATOM 1356 OE2 GLU B 20 10.834 3.431 -4.222 1.00 52.54 O ATOM 0 H GLU B 20 6.253 4.336 -4.368 1.00 33.43 H new ATOM 0 HA GLU B 20 8.178 6.250 -3.458 1.00 10.40 H new ATOM 0 HB2 GLU B 20 8.261 4.065 -5.059 1.00 22.14 H new ATOM 0 HB3 GLU B 20 8.103 5.299 -6.293 1.00 22.14 H new ATOM 0 HG2 GLU B 20 10.398 5.160 -6.115 1.00 42.23 H new ATOM 0 HG3 GLU B 20 10.065 6.480 -5.011 1.00 42.23 H new ATOM 1364 N GLU B 21 6.157 7.067 -5.948 1.00 25.25 N ATOM 1365 CA GLU B 21 5.622 8.195 -6.698 1.00 55.43 C ATOM 1366 C GLU B 21 4.725 9.059 -5.815 1.00 72.21 C ATOM 1367 O GLU B 21 4.892 10.275 -5.744 1.00 53.40 O ATOM 1368 CB GLU B 21 4.835 7.702 -7.914 1.00 62.21 C ATOM 1369 CG GLU B 21 5.613 6.734 -8.789 1.00 74.32 C ATOM 1370 CD GLU B 21 4.721 5.966 -9.746 1.00 43.14 C ATOM 1371 OE1 GLU B 21 4.299 4.845 -9.391 1.00 33.02 O ATOM 1372 OE2 GLU B 21 4.445 6.484 -10.848 1.00 42.35 O ATOM 0 H GLU B 21 5.746 6.166 -6.191 1.00 25.25 H new ATOM 0 HA GLU B 21 6.461 8.801 -7.039 1.00 55.43 H new ATOM 0 HB2 GLU B 21 3.921 7.216 -7.572 1.00 62.21 H new ATOM 0 HB3 GLU B 21 4.534 8.561 -8.514 1.00 62.21 H new ATOM 0 HG2 GLU B 21 6.361 7.286 -9.359 1.00 74.32 H new ATOM 0 HG3 GLU B 21 6.151 6.029 -8.155 1.00 74.32 H new ATOM 1380 N ALA B 22 3.772 8.419 -5.144 1.00 24.51 N ATOM 1381 CA ALA B 22 2.850 9.126 -4.265 1.00 40.00 C ATOM 1382 C ALA B 22 3.604 9.959 -3.234 1.00 24.24 C ATOM 1383 O ALA B 22 3.124 11.002 -2.794 1.00 53.22 O ATOM 1384 CB ALA B 22 1.919 8.142 -3.574 1.00 22.14 C ATOM 0 H ALA B 22 3.619 7.412 -5.193 1.00 24.51 H new ATOM 0 HA ALA B 22 2.254 9.804 -4.875 1.00 40.00 H new ATOM 0 HB1 ALA B 22 1.236 8.685 -2.921 1.00 22.14 H new ATOM 0 HB2 ALA B 22 1.347 7.595 -4.323 1.00 22.14 H new ATOM 0 HB3 ALA B 22 2.506 7.440 -2.982 1.00 22.14 H new ATOM 1390 N ALA B 23 4.785 9.487 -2.850 1.00 43.03 N ATOM 1391 CA ALA B 23 5.607 10.188 -1.871 1.00 13.44 C ATOM 1392 C ALA B 23 6.190 11.469 -2.459 1.00 34.31 C ATOM 1393 O ALA B 23 6.024 12.554 -1.901 1.00 31.14 O ATOM 1394 CB ALA B 23 6.719 9.281 -1.368 1.00 64.42 C ATOM 0 H ALA B 23 5.194 8.622 -3.202 1.00 43.03 H new ATOM 0 HA ALA B 23 4.970 10.463 -1.030 1.00 13.44 H new ATOM 0 HB1 ALA B 23 7.324 9.818 -0.638 1.00 64.42 H new ATOM 0 HB2 ALA B 23 6.284 8.398 -0.900 1.00 64.42 H new ATOM 0 HB3 ALA B 23 7.347 8.976 -2.205 1.00 64.42 H new ATOM 1400 N LYS B 24 6.876 11.336 -3.590 1.00 14.54 N ATOM 1401 CA LYS B 24 7.483 12.482 -4.255 1.00 5.01 C ATOM 1402 C LYS B 24 6.419 13.469 -4.720 1.00 74.43 C ATOM 1403 O LYS B 24 6.638 14.682 -4.719 1.00 24.44 O ATOM 1404 CB LYS B 24 8.321 12.018 -5.449 1.00 3.31 C ATOM 1405 CG LYS B 24 7.550 11.161 -6.437 1.00 71.21 C ATOM 1406 CD LYS B 24 8.426 10.726 -7.600 1.00 40.14 C ATOM 1407 CE LYS B 24 8.341 11.707 -8.760 1.00 75.03 C ATOM 1408 NZ LYS B 24 9.561 11.665 -9.612 1.00 41.05 N ATOM 0 H LYS B 24 7.025 10.446 -4.065 1.00 14.54 H new ATOM 0 HA LYS B 24 8.130 12.986 -3.537 1.00 5.01 H new ATOM 0 HB2 LYS B 24 8.713 12.892 -5.968 1.00 3.31 H new ATOM 0 HB3 LYS B 24 9.178 11.453 -5.083 1.00 3.31 H new ATOM 0 HG2 LYS B 24 7.157 10.281 -5.928 1.00 71.21 H new ATOM 0 HG3 LYS B 24 6.694 11.720 -6.814 1.00 71.21 H new ATOM 0 HD2 LYS B 24 9.461 10.644 -7.267 1.00 40.14 H new ATOM 0 HD3 LYS B 24 8.120 9.735 -7.937 1.00 40.14 H new ATOM 0 HE2 LYS B 24 7.466 11.476 -9.367 1.00 75.03 H new ATOM 0 HE3 LYS B 24 8.203 12.716 -8.373 1.00 75.03 H new ATOM 0 HZ1 LYS B 24 9.464 12.347 -10.391 1.00 41.05 H new ATOM 0 HZ2 LYS B 24 10.393 11.910 -9.039 1.00 41.05 H new ATOM 0 HZ3 LYS B 24 9.679 10.708 -10.003 1.00 41.05 H new ATOM 1422 N LEU B 25 5.265 12.944 -5.119 1.00 12.44 N ATOM 1423 CA LEU B 25 4.165 13.780 -5.586 1.00 13.33 C ATOM 1424 C LEU B 25 3.452 14.447 -4.413 1.00 50.22 C ATOM 1425 O LEU B 25 3.066 15.614 -4.491 1.00 42.33 O ATOM 1426 CB LEU B 25 3.169 12.944 -6.393 1.00 45.30 C ATOM 1427 CG LEU B 25 3.252 13.084 -7.913 1.00 10.02 C ATOM 1428 CD1 LEU B 25 2.198 12.220 -8.587 1.00 3.32 C ATOM 1429 CD2 LEU B 25 3.093 14.541 -8.323 1.00 12.30 C ATOM 0 H LEU B 25 5.067 11.943 -5.128 1.00 12.44 H new ATOM 0 HA LEU B 25 4.580 14.558 -6.226 1.00 13.33 H new ATOM 0 HB2 LEU B 25 3.314 11.895 -6.136 1.00 45.30 H new ATOM 0 HB3 LEU B 25 2.161 13.213 -6.078 1.00 45.30 H new ATOM 0 HG LEU B 25 4.234 12.741 -8.238 1.00 10.02 H new ATOM 0 HD11 LEU B 25 2.272 12.333 -9.669 1.00 3.32 H new ATOM 0 HD12 LEU B 25 2.358 11.176 -8.319 1.00 3.32 H new ATOM 0 HD13 LEU B 25 1.207 12.531 -8.257 1.00 3.32 H new ATOM 0 HD21 LEU B 25 3.155 14.622 -9.408 1.00 12.30 H new ATOM 0 HD22 LEU B 25 2.124 14.910 -7.986 1.00 12.30 H new ATOM 0 HD23 LEU B 25 3.886 15.135 -7.869 1.00 12.30 H new ATOM 1441 N LEU B 26 3.282 13.700 -3.328 1.00 21.02 N ATOM 1442 CA LEU B 26 2.618 14.220 -2.138 1.00 24.30 C ATOM 1443 C LEU B 26 3.223 15.555 -1.716 1.00 71.33 C ATOM 1444 O LEU B 26 2.505 16.528 -1.489 1.00 35.02 O ATOM 1445 CB LEU B 26 2.724 13.214 -0.990 1.00 62.21 C ATOM 1446 CG LEU B 26 1.508 12.313 -0.773 1.00 72.04 C ATOM 1447 CD1 LEU B 26 1.917 11.020 -0.085 1.00 4.40 C ATOM 1448 CD2 LEU B 26 0.445 13.039 0.040 1.00 44.24 C ATOM 0 H LEU B 26 3.595 12.732 -3.248 1.00 21.02 H new ATOM 0 HA LEU B 26 1.567 14.378 -2.379 1.00 24.30 H new ATOM 0 HB2 LEU B 26 3.593 12.581 -1.167 1.00 62.21 H new ATOM 0 HB3 LEU B 26 2.913 13.764 -0.068 1.00 62.21 H new ATOM 0 HG LEU B 26 1.086 12.064 -1.747 1.00 72.04 H new ATOM 0 HD11 LEU B 26 1.038 10.392 0.061 1.00 4.40 H new ATOM 0 HD12 LEU B 26 2.642 10.492 -0.704 1.00 4.40 H new ATOM 0 HD13 LEU B 26 2.364 11.248 0.882 1.00 4.40 H new ATOM 0 HD21 LEU B 26 -0.413 12.383 0.185 1.00 44.24 H new ATOM 0 HD22 LEU B 26 0.856 13.318 1.010 1.00 44.24 H new ATOM 0 HD23 LEU B 26 0.130 13.937 -0.492 1.00 44.24 H new ATOM 1460 N GLU B 27 4.548 15.593 -1.616 1.00 51.34 N ATOM 1461 CA GLU B 27 5.249 16.811 -1.223 1.00 10.14 C ATOM 1462 C GLU B 27 5.621 17.643 -2.447 1.00 13.55 C ATOM 1463 O GLU B 27 6.405 18.586 -2.354 1.00 43.33 O ATOM 1464 CB GLU B 27 6.508 16.466 -0.425 1.00 23.32 C ATOM 1465 CG GLU B 27 6.246 15.553 0.762 1.00 73.13 C ATOM 1466 CD GLU B 27 6.608 16.199 2.085 1.00 61.43 C ATOM 1467 OE1 GLU B 27 5.686 16.642 2.800 1.00 15.25 O ATOM 1468 OE2 GLU B 27 7.814 16.261 2.405 1.00 31.20 O ATOM 0 H GLU B 27 5.157 14.796 -1.801 1.00 51.34 H new ATOM 0 HA GLU B 27 4.580 17.399 -0.595 1.00 10.14 H new ATOM 0 HB2 GLU B 27 7.229 15.988 -1.088 1.00 23.32 H new ATOM 0 HB3 GLU B 27 6.966 17.389 -0.069 1.00 23.32 H new ATOM 0 HG2 GLU B 27 5.193 15.273 0.775 1.00 73.13 H new ATOM 0 HG3 GLU B 27 6.819 14.634 0.642 1.00 73.13 H new ATOM 1476 N GLY B 28 5.051 17.287 -3.593 1.00 23.31 N ATOM 1477 CA GLY B 28 5.335 18.010 -4.819 1.00 21.10 C ATOM 1478 C GLY B 28 4.980 19.480 -4.720 1.00 34.10 C ATOM 1479 O GLY B 28 5.399 20.285 -5.551 1.00 63.40 O ATOM 0 H GLY B 28 4.397 16.511 -3.695 1.00 23.31 H new ATOM 0 HA2 GLY B 28 6.394 17.910 -5.059 1.00 21.10 H new ATOM 0 HA3 GLY B 28 4.778 17.559 -5.640 1.00 21.10 H new ATOM 1483 N GLY B 29 4.201 19.832 -3.702 1.00 40.33 N ATOM 1484 CA GLY B 29 3.800 21.215 -3.517 1.00 61.15 C ATOM 1485 C GLY B 29 2.334 21.350 -3.157 1.00 43.51 C ATOM 1486 O GLY B 29 1.625 22.184 -3.719 1.00 25.13 O ATOM 0 H GLY B 29 3.840 19.184 -3.002 1.00 40.33 H new ATOM 0 HA2 GLY B 29 4.407 21.664 -2.731 1.00 61.15 H new ATOM 0 HA3 GLY B 29 3.999 21.773 -4.432 1.00 61.15 H new ATOM 1490 N GLY B 30 1.879 20.528 -2.217 1.00 21.30 N ATOM 1491 CA GLY B 30 0.489 20.574 -1.800 1.00 42.51 C ATOM 1492 C GLY B 30 0.231 21.651 -0.765 1.00 42.22 C ATOM 1493 O GLY B 30 -0.767 22.366 -0.838 1.00 33.23 O ATOM 0 H GLY B 30 2.448 19.831 -1.736 1.00 21.30 H new ATOM 0 HA2 GLY B 30 -0.143 20.752 -2.670 1.00 42.51 H new ATOM 0 HA3 GLY B 30 0.203 19.605 -1.391 1.00 42.51 H new ATOM 1497 N GLY B 31 1.134 21.767 0.204 1.00 4.23 N ATOM 1498 CA GLY B 31 0.980 22.765 1.247 1.00 31.21 C ATOM 1499 C GLY B 31 0.377 22.192 2.515 1.00 75.24 C ATOM 1500 O GLY B 31 -0.706 21.611 2.487 1.00 11.14 O ATOM 0 H GLY B 31 1.970 21.188 0.285 1.00 4.23 H new ATOM 0 HA2 GLY B 31 1.953 23.200 1.476 1.00 31.21 H new ATOM 0 HA3 GLY B 31 0.347 23.574 0.881 1.00 31.21 H new ATOM 1504 N GLY B 32 1.083 22.355 3.629 1.00 63.12 N ATOM 1505 CA GLY B 32 0.596 21.842 4.897 1.00 65.21 C ATOM 1506 C GLY B 32 1.720 21.392 5.810 1.00 30.44 C ATOM 1507 O GLY B 32 2.486 22.212 6.312 1.00 42.24 O ATOM 0 H GLY B 32 1.983 22.833 3.677 1.00 63.12 H new ATOM 0 HA2 GLY B 32 0.012 22.614 5.398 1.00 65.21 H new ATOM 0 HA3 GLY B 32 -0.076 21.004 4.712 1.00 65.21 H new ATOM 1511 N GLY B 33 1.816 20.083 6.027 1.00 53.05 N ATOM 1512 CA GLY B 33 2.855 19.549 6.887 1.00 4.12 C ATOM 1513 C GLY B 33 3.009 18.048 6.747 1.00 22.11 C ATOM 1514 O GLY B 33 2.267 17.281 7.361 1.00 24.40 O ATOM 0 H GLY B 33 1.193 19.384 5.623 1.00 53.05 H new ATOM 0 HA2 GLY B 33 3.803 20.032 6.649 1.00 4.12 H new ATOM 0 HA3 GLY B 33 2.624 19.792 7.924 1.00 4.12 H new ATOM 1518 N GLY B 34 3.973 17.626 5.935 1.00 62.41 N ATOM 1519 CA GLY B 34 4.202 16.207 5.730 1.00 24.21 C ATOM 1520 C GLY B 34 5.198 15.631 6.717 1.00 74.35 C ATOM 1521 O GLY B 34 6.095 14.879 6.337 1.00 15.22 O ATOM 0 H GLY B 34 4.600 18.241 5.415 1.00 62.41 H new ATOM 0 HA2 GLY B 34 3.256 15.673 5.820 1.00 24.21 H new ATOM 0 HA3 GLY B 34 4.565 16.044 4.715 1.00 24.21 H new ATOM 1525 N GLY B 35 5.042 15.988 7.989 1.00 70.35 N ATOM 1526 CA GLY B 35 5.944 15.495 9.013 1.00 65.20 C ATOM 1527 C GLY B 35 5.614 14.079 9.443 1.00 34.33 C ATOM 1528 O GLY B 35 5.925 13.120 8.736 1.00 60.01 O ATOM 0 H GLY B 35 4.307 16.609 8.328 1.00 70.35 H new ATOM 0 HA2 GLY B 35 6.967 15.529 8.639 1.00 65.20 H new ATOM 0 HA3 GLY B 35 5.900 16.154 9.880 1.00 65.20 H new ATOM 1532 N GLU B 36 4.982 13.947 10.604 1.00 31.05 N ATOM 1533 CA GLU B 36 4.612 12.638 11.128 1.00 22.43 C ATOM 1534 C GLU B 36 3.399 12.078 10.388 1.00 41.15 C ATOM 1535 O GLU B 36 3.192 10.865 10.340 1.00 44.01 O ATOM 1536 CB GLU B 36 4.311 12.728 12.626 1.00 63.21 C ATOM 1537 CG GLU B 36 3.619 11.496 13.184 1.00 63.21 C ATOM 1538 CD GLU B 36 3.382 11.586 14.678 1.00 30.23 C ATOM 1539 OE1 GLU B 36 2.406 12.251 15.085 1.00 24.52 O ATOM 1540 OE2 GLU B 36 4.172 10.993 15.442 1.00 5.40 O ATOM 0 H GLU B 36 4.715 14.731 11.200 1.00 31.05 H new ATOM 0 HA GLU B 36 5.454 11.964 10.974 1.00 22.43 H new ATOM 0 HB2 GLU B 36 5.244 12.886 13.166 1.00 63.21 H new ATOM 0 HB3 GLU B 36 3.684 13.601 12.810 1.00 63.21 H new ATOM 0 HG2 GLU B 36 2.664 11.359 12.676 1.00 63.21 H new ATOM 0 HG3 GLU B 36 4.224 10.615 12.968 1.00 63.21 H new ATOM 1548 N LEU B 37 2.601 12.972 9.813 1.00 25.44 N ATOM 1549 CA LEU B 37 1.409 12.569 9.076 1.00 42.42 C ATOM 1550 C LEU B 37 1.773 11.656 7.908 1.00 11.53 C ATOM 1551 O LEU B 37 1.043 10.718 7.592 1.00 10.02 O ATOM 1552 CB LEU B 37 0.663 13.802 8.562 1.00 71.51 C ATOM 1553 CG LEU B 37 -0.326 13.560 7.422 1.00 74.21 C ATOM 1554 CD1 LEU B 37 -1.463 12.661 7.882 1.00 15.21 C ATOM 1555 CD2 LEU B 37 -0.869 14.882 6.897 1.00 24.21 C ATOM 0 H LEU B 37 2.758 13.979 9.843 1.00 25.44 H new ATOM 0 HA LEU B 37 0.760 12.016 9.756 1.00 42.42 H new ATOM 0 HB2 LEU B 37 0.123 14.249 9.396 1.00 71.51 H new ATOM 0 HB3 LEU B 37 1.398 14.534 8.229 1.00 71.51 H new ATOM 0 HG LEU B 37 0.201 13.058 6.611 1.00 74.21 H new ATOM 0 HD11 LEU B 37 -2.157 12.500 7.057 1.00 15.21 H new ATOM 0 HD12 LEU B 37 -1.060 11.703 8.209 1.00 15.21 H new ATOM 0 HD13 LEU B 37 -1.989 13.135 8.711 1.00 15.21 H new ATOM 0 HD21 LEU B 37 -1.571 14.690 6.086 1.00 24.21 H new ATOM 0 HD22 LEU B 37 -1.379 15.411 7.702 1.00 24.21 H new ATOM 0 HD23 LEU B 37 -0.045 15.492 6.527 1.00 24.21 H new ATOM 1567 N MET B 38 2.906 11.939 7.275 1.00 34.21 N ATOM 1568 CA MET B 38 3.367 11.141 6.145 1.00 45.05 C ATOM 1569 C MET B 38 3.776 9.743 6.598 1.00 71.24 C ATOM 1570 O MET B 38 3.668 8.777 5.840 1.00 51.22 O ATOM 1571 CB MET B 38 4.545 11.830 5.454 1.00 72.14 C ATOM 1572 CG MET B 38 5.222 10.968 4.401 1.00 30.23 C ATOM 1573 SD MET B 38 5.499 11.851 2.853 1.00 24.23 S ATOM 1574 CE MET B 38 3.815 12.077 2.286 1.00 11.11 C ATOM 0 H MET B 38 3.521 12.713 7.524 1.00 34.21 H new ATOM 0 HA MET B 38 2.543 11.048 5.437 1.00 45.05 H new ATOM 0 HB2 MET B 38 4.194 12.750 4.987 1.00 72.14 H new ATOM 0 HB3 MET B 38 5.281 12.115 6.206 1.00 72.14 H new ATOM 0 HG2 MET B 38 6.177 10.612 4.788 1.00 30.23 H new ATOM 0 HG3 MET B 38 4.608 10.088 4.208 1.00 30.23 H new ATOM 0 HE1 MET B 38 3.802 12.133 1.198 1.00 11.11 H new ATOM 0 HE2 MET B 38 3.205 11.235 2.614 1.00 11.11 H new ATOM 0 HE3 MET B 38 3.412 13.001 2.701 1.00 11.11 H new ATOM 1584 N LYS B 39 4.246 9.640 7.835 1.00 2.50 N ATOM 1585 CA LYS B 39 4.670 8.360 8.390 1.00 53.42 C ATOM 1586 C LYS B 39 3.559 7.322 8.275 1.00 12.50 C ATOM 1587 O LYS B 39 3.822 6.124 8.165 1.00 64.05 O ATOM 1588 CB LYS B 39 5.079 8.526 9.856 1.00 75.32 C ATOM 1589 CG LYS B 39 5.671 7.269 10.468 1.00 5.11 C ATOM 1590 CD LYS B 39 5.118 7.012 11.860 1.00 63.20 C ATOM 1591 CE LYS B 39 6.202 6.524 12.809 1.00 3.03 C ATOM 1592 NZ LYS B 39 5.652 5.632 13.867 1.00 53.02 N ATOM 0 H LYS B 39 4.343 10.429 8.474 1.00 2.50 H new ATOM 0 HA LYS B 39 5.529 8.011 7.817 1.00 53.42 H new ATOM 0 HB2 LYS B 39 5.806 9.334 9.932 1.00 75.32 H new ATOM 0 HB3 LYS B 39 4.206 8.826 10.436 1.00 75.32 H new ATOM 0 HG2 LYS B 39 5.455 6.415 9.826 1.00 5.11 H new ATOM 0 HG3 LYS B 39 6.756 7.364 10.518 1.00 5.11 H new ATOM 0 HD2 LYS B 39 4.675 7.928 12.252 1.00 63.20 H new ATOM 0 HD3 LYS B 39 4.321 6.271 11.805 1.00 63.20 H new ATOM 0 HE2 LYS B 39 6.966 5.989 12.244 1.00 3.03 H new ATOM 0 HE3 LYS B 39 6.690 7.380 13.274 1.00 3.03 H new ATOM 0 HZ1 LYS B 39 6.422 5.321 14.493 1.00 53.02 H new ATOM 0 HZ2 LYS B 39 4.941 6.150 14.423 1.00 53.02 H new ATOM 0 HZ3 LYS B 39 5.208 4.802 13.425 1.00 53.02 H new ATOM 1606 N LEU B 40 2.315 7.789 8.301 1.00 10.02 N ATOM 1607 CA LEU B 40 1.162 6.900 8.198 1.00 55.45 C ATOM 1608 C LEU B 40 1.160 6.164 6.863 1.00 63.34 C ATOM 1609 O LEU B 40 1.221 4.934 6.820 1.00 41.42 O ATOM 1610 CB LEU B 40 -0.135 7.696 8.358 1.00 71.52 C ATOM 1611 CG LEU B 40 -0.917 7.452 9.648 1.00 20.01 C ATOM 1612 CD1 LEU B 40 -2.122 8.377 9.724 1.00 21.24 C ATOM 1613 CD2 LEU B 40 -1.353 5.996 9.741 1.00 13.41 C ATOM 0 H LEU B 40 2.079 8.777 8.392 1.00 10.02 H new ATOM 0 HA LEU B 40 1.229 6.162 8.998 1.00 55.45 H new ATOM 0 HB2 LEU B 40 0.104 8.758 8.297 1.00 71.52 H new ATOM 0 HB3 LEU B 40 -0.785 7.467 7.514 1.00 71.52 H new ATOM 0 HG LEU B 40 -0.264 7.669 10.493 1.00 20.01 H new ATOM 0 HD11 LEU B 40 -2.667 8.189 10.649 1.00 21.24 H new ATOM 0 HD12 LEU B 40 -1.787 9.414 9.705 1.00 21.24 H new ATOM 0 HD13 LEU B 40 -2.777 8.192 8.873 1.00 21.24 H new ATOM 0 HD21 LEU B 40 -1.908 5.841 10.666 1.00 13.41 H new ATOM 0 HD22 LEU B 40 -1.989 5.752 8.890 1.00 13.41 H new ATOM 0 HD23 LEU B 40 -0.474 5.352 9.733 1.00 13.41 H new ATOM 1625 N CYS B 41 1.091 6.923 5.775 1.00 21.53 N ATOM 1626 CA CYS B 41 1.083 6.342 4.436 1.00 10.24 C ATOM 1627 C CYS B 41 2.440 5.733 4.100 1.00 73.25 C ATOM 1628 O CYS B 41 2.527 4.778 3.328 1.00 45.41 O ATOM 1629 CB CYS B 41 0.714 7.404 3.400 1.00 30.33 C ATOM 1630 SG CYS B 41 1.874 8.788 3.316 1.00 14.41 S ATOM 0 H CYS B 41 1.040 7.942 5.793 1.00 21.53 H new ATOM 0 HA CYS B 41 0.335 5.549 4.414 1.00 10.24 H new ATOM 0 HB2 CYS B 41 0.655 6.934 2.419 1.00 30.33 H new ATOM 0 HB3 CYS B 41 -0.279 7.790 3.629 1.00 30.33 H new ATOM 0 HG CYS B 41 2.642 8.775 4.365 1.00 14.41 H new ATOM 1636 N GLU B 42 3.495 6.295 4.681 1.00 43.22 N ATOM 1637 CA GLU B 42 4.849 5.809 4.439 1.00 33.55 C ATOM 1638 C GLU B 42 4.960 4.324 4.774 1.00 45.45 C ATOM 1639 O GLU B 42 5.812 3.619 4.233 1.00 1.05 O ATOM 1640 CB GLU B 42 5.857 6.607 5.267 1.00 51.32 C ATOM 1641 CG GLU B 42 7.292 6.140 5.095 1.00 2.41 C ATOM 1642 CD GLU B 42 8.301 7.243 5.356 1.00 10.03 C ATOM 1643 OE1 GLU B 42 8.233 8.282 4.667 1.00 52.34 O ATOM 1644 OE2 GLU B 42 9.156 7.066 6.247 1.00 2.45 O ATOM 0 H GLU B 42 3.439 7.086 5.322 1.00 43.22 H new ATOM 0 HA GLU B 42 5.073 5.944 3.381 1.00 33.55 H new ATOM 0 HB2 GLU B 42 5.791 7.659 4.989 1.00 51.32 H new ATOM 0 HB3 GLU B 42 5.585 6.538 6.320 1.00 51.32 H new ATOM 0 HG2 GLU B 42 7.484 5.309 5.774 1.00 2.41 H new ATOM 0 HG3 GLU B 42 7.428 5.761 4.082 1.00 2.41 H new ATOM 1652 N GLU B 43 4.097 3.859 5.671 1.00 1.32 N ATOM 1653 CA GLU B 43 4.101 2.458 6.080 1.00 54.35 C ATOM 1654 C GLU B 43 3.978 1.538 4.868 1.00 51.51 C ATOM 1655 O GLU B 43 4.467 0.410 4.881 1.00 5.32 O ATOM 1656 CB GLU B 43 2.957 2.187 7.058 1.00 51.23 C ATOM 1657 CG GLU B 43 3.015 3.040 8.314 1.00 13.54 C ATOM 1658 CD GLU B 43 3.309 2.226 9.560 1.00 62.32 C ATOM 1659 OE1 GLU B 43 4.044 2.727 10.436 1.00 12.33 O ATOM 1660 OE2 GLU B 43 2.806 1.087 9.657 1.00 34.41 O ATOM 0 H GLU B 43 3.387 4.430 6.128 1.00 1.32 H new ATOM 0 HA GLU B 43 5.050 2.253 6.576 1.00 54.35 H new ATOM 0 HB2 GLU B 43 2.008 2.364 6.552 1.00 51.23 H new ATOM 0 HB3 GLU B 43 2.975 1.135 7.342 1.00 51.23 H new ATOM 0 HG2 GLU B 43 3.783 3.804 8.194 1.00 13.54 H new ATOM 0 HG3 GLU B 43 2.065 3.560 8.440 1.00 13.54 H new ATOM 1668 N ALA B 44 3.320 2.030 3.824 1.00 41.12 N ATOM 1669 CA ALA B 44 3.134 1.254 2.604 1.00 21.04 C ATOM 1670 C ALA B 44 4.462 0.705 2.095 1.00 62.35 C ATOM 1671 O ALA B 44 4.561 -0.466 1.729 1.00 43.14 O ATOM 1672 CB ALA B 44 2.466 2.103 1.534 1.00 52.35 C ATOM 0 H ALA B 44 2.907 2.962 3.798 1.00 41.12 H new ATOM 0 HA ALA B 44 2.487 0.408 2.836 1.00 21.04 H new ATOM 0 HB1 ALA B 44 2.334 1.510 0.629 1.00 52.35 H new ATOM 0 HB2 ALA B 44 1.493 2.441 1.892 1.00 52.35 H new ATOM 0 HB3 ALA B 44 3.091 2.968 1.313 1.00 52.35 H new ATOM 1678 N ALA B 45 5.480 1.559 2.072 1.00 65.00 N ATOM 1679 CA ALA B 45 6.803 1.158 1.608 1.00 53.34 C ATOM 1680 C ALA B 45 7.514 0.302 2.650 1.00 14.43 C ATOM 1681 O ALA B 45 8.419 -0.467 2.324 1.00 12.24 O ATOM 1682 CB ALA B 45 7.637 2.385 1.272 1.00 54.04 C ATOM 0 H ALA B 45 5.414 2.533 2.369 1.00 65.00 H new ATOM 0 HA ALA B 45 6.679 0.558 0.707 1.00 53.34 H new ATOM 0 HB1 ALA B 45 8.622 2.072 0.927 1.00 54.04 H new ATOM 0 HB2 ALA B 45 7.143 2.957 0.487 1.00 54.04 H new ATOM 0 HB3 ALA B 45 7.745 3.006 2.161 1.00 54.04 H new ATOM 1688 N LYS B 46 7.100 0.440 3.905 1.00 74.32 N ATOM 1689 CA LYS B 46 7.697 -0.322 4.995 1.00 14.34 C ATOM 1690 C LYS B 46 7.218 -1.770 4.973 1.00 5.33 C ATOM 1691 O LYS B 46 8.021 -2.701 5.041 1.00 64.11 O ATOM 1692 CB LYS B 46 7.352 0.320 6.341 1.00 41.31 C ATOM 1693 CG LYS B 46 8.565 0.825 7.104 1.00 22.14 C ATOM 1694 CD LYS B 46 8.773 2.315 6.896 1.00 60.22 C ATOM 1695 CE LYS B 46 10.247 2.654 6.731 1.00 42.12 C ATOM 1696 NZ LYS B 46 10.639 3.840 7.544 1.00 31.44 N ATOM 0 H LYS B 46 6.353 1.073 4.192 1.00 74.32 H new ATOM 0 HA LYS B 46 8.779 -0.314 4.861 1.00 14.34 H new ATOM 0 HB2 LYS B 46 6.668 1.151 6.172 1.00 41.31 H new ATOM 0 HB3 LYS B 46 6.824 -0.408 6.956 1.00 41.31 H new ATOM 0 HG2 LYS B 46 8.439 0.619 8.167 1.00 22.14 H new ATOM 0 HG3 LYS B 46 9.453 0.284 6.777 1.00 22.14 H new ATOM 0 HD2 LYS B 46 8.223 2.641 6.013 1.00 60.22 H new ATOM 0 HD3 LYS B 46 8.365 2.863 7.746 1.00 60.22 H new ATOM 0 HE2 LYS B 46 10.852 1.796 7.025 1.00 42.12 H new ATOM 0 HE3 LYS B 46 10.459 2.848 5.680 1.00 42.12 H new ATOM 0 HZ1 LYS B 46 11.650 4.038 7.404 1.00 31.44 H new ATOM 0 HZ2 LYS B 46 10.080 4.665 7.246 1.00 31.44 H new ATOM 0 HZ3 LYS B 46 10.461 3.646 8.550 1.00 31.44 H new ATOM 1710 N LYS B 47 5.906 -1.953 4.878 1.00 61.32 N ATOM 1711 CA LYS B 47 5.320 -3.288 4.844 1.00 5.20 C ATOM 1712 C LYS B 47 5.588 -3.966 3.505 1.00 64.51 C ATOM 1713 O LYS B 47 5.987 -5.129 3.456 1.00 23.21 O ATOM 1714 CB LYS B 47 3.813 -3.212 5.097 1.00 32.01 C ATOM 1715 CG LYS B 47 3.453 -2.800 6.514 1.00 50.34 C ATOM 1716 CD LYS B 47 3.874 -3.852 7.525 1.00 22.25 C ATOM 1717 CE LYS B 47 4.649 -3.237 8.680 1.00 23.44 C ATOM 1718 NZ LYS B 47 6.094 -3.080 8.358 1.00 61.44 N ATOM 0 H LYS B 47 5.227 -1.193 4.823 1.00 61.32 H new ATOM 0 HA LYS B 47 5.785 -3.882 5.631 1.00 5.20 H new ATOM 0 HB2 LYS B 47 3.371 -2.502 4.398 1.00 32.01 H new ATOM 0 HB3 LYS B 47 3.368 -4.185 4.887 1.00 32.01 H new ATOM 0 HG2 LYS B 47 3.936 -1.852 6.752 1.00 50.34 H new ATOM 0 HG3 LYS B 47 2.378 -2.637 6.584 1.00 50.34 H new ATOM 0 HD2 LYS B 47 2.991 -4.363 7.909 1.00 22.25 H new ATOM 0 HD3 LYS B 47 4.489 -4.605 7.033 1.00 22.25 H new ATOM 0 HE2 LYS B 47 4.224 -2.264 8.925 1.00 23.44 H new ATOM 0 HE3 LYS B 47 4.540 -3.864 9.565 1.00 23.44 H new ATOM 0 HZ1 LYS B 47 6.528 -2.413 9.027 1.00 61.44 H new ATOM 0 HZ2 LYS B 47 6.568 -4.003 8.432 1.00 61.44 H new ATOM 0 HZ3 LYS B 47 6.196 -2.715 7.390 1.00 61.44 H new ATOM 1732 N ALA B 48 5.368 -3.231 2.420 1.00 54.12 N ATOM 1733 CA ALA B 48 5.589 -3.760 1.080 1.00 64.42 C ATOM 1734 C ALA B 48 6.985 -4.362 0.951 1.00 0.42 C ATOM 1735 O ALA B 48 7.150 -5.461 0.423 1.00 71.22 O ATOM 1736 CB ALA B 48 5.385 -2.668 0.041 1.00 63.55 C ATOM 0 H ALA B 48 5.037 -2.267 2.443 1.00 54.12 H new ATOM 0 HA ALA B 48 4.862 -4.553 0.905 1.00 64.42 H new ATOM 0 HB1 ALA B 48 5.553 -3.077 -0.955 1.00 63.55 H new ATOM 0 HB2 ALA B 48 4.366 -2.287 0.109 1.00 63.55 H new ATOM 0 HB3 ALA B 48 6.089 -1.856 0.223 1.00 63.55 H new ATOM 1742 N GLU B 49 7.985 -3.634 1.437 1.00 24.01 N ATOM 1743 CA GLU B 49 9.367 -4.097 1.374 1.00 61.52 C ATOM 1744 C GLU B 49 9.627 -5.176 2.422 1.00 72.25 C ATOM 1745 O GLU B 49 10.467 -6.054 2.227 1.00 31.22 O ATOM 1746 CB GLU B 49 10.330 -2.927 1.580 1.00 0.22 C ATOM 1747 CG GLU B 49 11.746 -3.214 1.110 1.00 0.41 C ATOM 1748 CD GLU B 49 12.720 -3.384 2.261 1.00 55.00 C ATOM 1749 OE1 GLU B 49 12.421 -4.179 3.178 1.00 75.22 O ATOM 1750 OE2 GLU B 49 13.779 -2.724 2.245 1.00 50.44 O ATOM 0 H GLU B 49 7.865 -2.722 1.878 1.00 24.01 H new ATOM 0 HA GLU B 49 9.535 -4.526 0.386 1.00 61.52 H new ATOM 0 HB2 GLU B 49 9.949 -2.056 1.047 1.00 0.22 H new ATOM 0 HB3 GLU B 49 10.353 -2.668 2.639 1.00 0.22 H new ATOM 0 HG2 GLU B 49 11.747 -4.119 0.502 1.00 0.41 H new ATOM 0 HG3 GLU B 49 12.084 -2.399 0.470 1.00 0.41 H new ATOM 1758 N GLU B 50 8.901 -5.102 3.533 1.00 55.03 N ATOM 1759 CA GLU B 50 9.055 -6.070 4.611 1.00 40.01 C ATOM 1760 C GLU B 50 8.674 -7.472 4.142 1.00 50.11 C ATOM 1761 O GLU B 50 9.434 -8.425 4.319 1.00 32.21 O ATOM 1762 CB GLU B 50 8.194 -5.671 5.812 1.00 11.31 C ATOM 1763 CG GLU B 50 8.932 -4.825 6.835 1.00 52.24 C ATOM 1764 CD GLU B 50 9.404 -5.632 8.029 1.00 4.41 C ATOM 1765 OE1 GLU B 50 8.685 -5.655 9.050 1.00 62.13 O ATOM 1766 OE2 GLU B 50 10.491 -6.240 7.942 1.00 23.23 O ATOM 0 H GLU B 50 8.201 -4.382 3.709 1.00 55.03 H new ATOM 0 HA GLU B 50 10.103 -6.078 4.911 1.00 40.01 H new ATOM 0 HB2 GLU B 50 7.323 -5.120 5.457 1.00 11.31 H new ATOM 0 HB3 GLU B 50 7.823 -6.573 6.298 1.00 11.31 H new ATOM 0 HG2 GLU B 50 9.791 -4.352 6.358 1.00 52.24 H new ATOM 0 HG3 GLU B 50 8.277 -4.024 7.179 1.00 52.24 H new ATOM 1774 N LEU B 51 7.493 -7.589 3.545 1.00 11.31 N ATOM 1775 CA LEU B 51 7.010 -8.874 3.051 1.00 52.24 C ATOM 1776 C LEU B 51 7.761 -9.289 1.790 1.00 23.30 C ATOM 1777 O LEU B 51 8.081 -10.464 1.604 1.00 53.52 O ATOM 1778 CB LEU B 51 5.509 -8.799 2.763 1.00 24.32 C ATOM 1779 CG LEU B 51 5.096 -7.926 1.578 1.00 50.41 C ATOM 1780 CD1 LEU B 51 5.090 -8.738 0.292 1.00 11.31 C ATOM 1781 CD2 LEU B 51 3.729 -7.304 1.825 1.00 33.12 C ATOM 0 H LEU B 51 6.852 -6.810 3.391 1.00 11.31 H new ATOM 0 HA LEU B 51 7.189 -9.624 3.822 1.00 52.24 H new ATOM 0 HB2 LEU B 51 5.142 -9.810 2.589 1.00 24.32 H new ATOM 0 HB3 LEU B 51 5.006 -8.427 3.656 1.00 24.32 H new ATOM 0 HG LEU B 51 5.825 -7.123 1.472 1.00 50.41 H new ATOM 0 HD11 LEU B 51 4.794 -8.099 -0.540 1.00 11.31 H new ATOM 0 HD12 LEU B 51 6.088 -9.134 0.107 1.00 11.31 H new ATOM 0 HD13 LEU B 51 4.384 -9.563 0.386 1.00 11.31 H new ATOM 0 HD21 LEU B 51 3.451 -6.686 0.971 1.00 33.12 H new ATOM 0 HD22 LEU B 51 2.989 -8.093 1.958 1.00 33.12 H new ATOM 0 HD23 LEU B 51 3.767 -6.687 2.723 1.00 33.12 H new ATOM 1793 N PHE B 52 8.043 -8.319 0.927 1.00 15.42 N ATOM 1794 CA PHE B 52 8.758 -8.584 -0.315 1.00 40.43 C ATOM 1795 C PHE B 52 10.163 -9.106 -0.033 1.00 3.32 C ATOM 1796 O PHE B 52 10.764 -9.787 -0.863 1.00 64.14 O ATOM 1797 CB PHE B 52 8.836 -7.313 -1.165 1.00 12.23 C ATOM 1798 CG PHE B 52 9.722 -7.450 -2.369 1.00 72.52 C ATOM 1799 CD1 PHE B 52 9.298 -8.161 -3.481 1.00 1.12 C ATOM 1800 CD2 PHE B 52 10.979 -6.870 -2.390 1.00 51.33 C ATOM 1801 CE1 PHE B 52 10.111 -8.290 -4.590 1.00 43.25 C ATOM 1802 CE2 PHE B 52 11.798 -6.994 -3.498 1.00 42.41 C ATOM 1803 CZ PHE B 52 11.363 -7.704 -4.599 1.00 21.40 C ATOM 0 H PHE B 52 7.787 -7.341 1.065 1.00 15.42 H new ATOM 0 HA PHE B 52 8.209 -9.348 -0.865 1.00 40.43 H new ATOM 0 HB2 PHE B 52 7.832 -7.042 -1.492 1.00 12.23 H new ATOM 0 HB3 PHE B 52 9.202 -6.494 -0.546 1.00 12.23 H new ATOM 0 HD1 PHE B 52 8.320 -8.620 -3.480 1.00 1.12 H new ATOM 0 HD2 PHE B 52 11.324 -6.314 -1.531 1.00 51.33 H new ATOM 0 HE1 PHE B 52 9.769 -8.848 -5.449 1.00 43.25 H new ATOM 0 HE2 PHE B 52 12.776 -6.536 -3.502 1.00 42.41 H new ATOM 0 HZ PHE B 52 12.000 -7.801 -5.466 1.00 21.40 H new ATOM 1813 N LYS B 53 10.683 -8.781 1.146 1.00 43.10 N ATOM 1814 CA LYS B 53 12.017 -9.217 1.542 1.00 64.03 C ATOM 1815 C LYS B 53 12.093 -10.739 1.614 1.00 72.10 C ATOM 1816 O LYS B 53 12.894 -11.364 0.917 1.00 32.45 O ATOM 1817 CB LYS B 53 12.394 -8.613 2.896 1.00 2.04 C ATOM 1818 CG LYS B 53 13.892 -8.546 3.137 1.00 61.22 C ATOM 1819 CD LYS B 53 14.445 -7.165 2.827 1.00 41.05 C ATOM 1820 CE LYS B 53 15.964 -7.180 2.736 1.00 24.44 C ATOM 1821 NZ LYS B 53 16.591 -6.347 3.798 1.00 5.34 N ATOM 0 H LYS B 53 10.200 -8.216 1.845 1.00 43.10 H new ATOM 0 HA LYS B 53 12.723 -8.870 0.788 1.00 64.03 H new ATOM 0 HB2 LYS B 53 11.978 -7.608 2.964 1.00 2.04 H new ATOM 0 HB3 LYS B 53 11.933 -9.203 3.688 1.00 2.04 H new ATOM 0 HG2 LYS B 53 14.106 -8.800 4.175 1.00 61.22 H new ATOM 0 HG3 LYS B 53 14.395 -9.288 2.517 1.00 61.22 H new ATOM 0 HD2 LYS B 53 14.027 -6.807 1.886 1.00 41.05 H new ATOM 0 HD3 LYS B 53 14.133 -6.465 3.602 1.00 41.05 H new ATOM 0 HE2 LYS B 53 16.323 -8.206 2.820 1.00 24.44 H new ATOM 0 HE3 LYS B 53 16.273 -6.813 1.757 1.00 24.44 H new ATOM 0 HZ1 LYS B 53 17.626 -6.383 3.702 1.00 5.34 H new ATOM 0 HZ2 LYS B 53 16.269 -5.363 3.703 1.00 5.34 H new ATOM 0 HZ3 LYS B 53 16.317 -6.712 4.733 1.00 5.34 H new ATOM 1835 N LEU B 54 11.255 -11.329 2.458 1.00 4.55 N ATOM 1836 CA LEU B 54 11.226 -12.779 2.620 1.00 62.53 C ATOM 1837 C LEU B 54 10.537 -13.446 1.434 1.00 61.25 C ATOM 1838 O LEU B 54 10.949 -14.516 0.986 1.00 30.22 O ATOM 1839 CB LEU B 54 10.507 -13.153 3.917 1.00 51.24 C ATOM 1840 CG LEU B 54 11.143 -14.276 4.737 1.00 12.05 C ATOM 1841 CD1 LEU B 54 11.279 -15.538 3.900 1.00 74.43 C ATOM 1842 CD2 LEU B 54 12.499 -13.841 5.275 1.00 35.14 C ATOM 0 H LEU B 54 10.586 -10.826 3.041 1.00 4.55 H new ATOM 0 HA LEU B 54 12.255 -13.135 2.666 1.00 62.53 H new ATOM 0 HB2 LEU B 54 10.444 -12.263 4.544 1.00 51.24 H new ATOM 0 HB3 LEU B 54 9.485 -13.443 3.672 1.00 51.24 H new ATOM 0 HG LEU B 54 10.492 -14.495 5.583 1.00 12.05 H new ATOM 0 HD11 LEU B 54 11.734 -16.326 4.501 1.00 74.43 H new ATOM 0 HD12 LEU B 54 10.293 -15.860 3.565 1.00 74.43 H new ATOM 0 HD13 LEU B 54 11.908 -15.334 3.033 1.00 74.43 H new ATOM 0 HD21 LEU B 54 12.937 -14.652 5.856 1.00 35.14 H new ATOM 0 HD22 LEU B 54 13.158 -13.593 4.443 1.00 35.14 H new ATOM 0 HD23 LEU B 54 12.374 -12.965 5.912 1.00 35.14 H new ATOM 1854 N ALA B 55 9.490 -12.804 0.927 1.00 21.44 N ATOM 1855 CA ALA B 55 8.746 -13.333 -0.210 1.00 60.24 C ATOM 1856 C ALA B 55 9.663 -13.557 -1.408 1.00 2.01 C ATOM 1857 O ALA B 55 9.522 -14.543 -2.132 1.00 64.14 O ATOM 1858 CB ALA B 55 7.610 -12.392 -0.582 1.00 40.21 C ATOM 0 H ALA B 55 9.137 -11.917 1.286 1.00 21.44 H new ATOM 0 HA ALA B 55 8.325 -14.296 0.079 1.00 60.24 H new ATOM 0 HB1 ALA B 55 7.063 -12.800 -1.432 1.00 40.21 H new ATOM 0 HB2 ALA B 55 6.934 -12.285 0.266 1.00 40.21 H new ATOM 0 HB3 ALA B 55 8.018 -11.416 -0.847 1.00 40.21 H new ATOM 1864 N GLU B 56 10.601 -12.637 -1.610 1.00 21.43 N ATOM 1865 CA GLU B 56 11.539 -12.736 -2.722 1.00 45.31 C ATOM 1866 C GLU B 56 12.305 -14.056 -2.673 1.00 13.22 C ATOM 1867 O GLU B 56 12.783 -14.545 -3.695 1.00 21.22 O ATOM 1868 CB GLU B 56 12.522 -11.564 -2.695 1.00 53.43 C ATOM 1869 CG GLU B 56 13.853 -11.868 -3.360 1.00 61.30 C ATOM 1870 CD GLU B 56 14.762 -10.657 -3.430 1.00 30.03 C ATOM 1871 OE1 GLU B 56 14.510 -9.684 -2.689 1.00 1.45 O ATOM 1872 OE2 GLU B 56 15.725 -10.681 -4.226 1.00 31.14 O ATOM 0 H GLU B 56 10.731 -11.816 -1.019 1.00 21.43 H new ATOM 0 HA GLU B 56 10.967 -12.701 -3.649 1.00 45.31 H new ATOM 0 HB2 GLU B 56 12.066 -10.707 -3.191 1.00 53.43 H new ATOM 0 HB3 GLU B 56 12.701 -11.275 -1.659 1.00 53.43 H new ATOM 0 HG2 GLU B 56 14.356 -12.663 -2.810 1.00 61.30 H new ATOM 0 HG3 GLU B 56 13.674 -12.242 -4.368 1.00 61.30 H new ATOM 1880 N GLU B 57 12.416 -14.624 -1.476 1.00 62.22 N ATOM 1881 CA GLU B 57 13.124 -15.886 -1.294 1.00 40.41 C ATOM 1882 C GLU B 57 12.385 -17.029 -1.983 1.00 2.52 C ATOM 1883 O GLU B 57 12.959 -17.753 -2.796 1.00 41.20 O ATOM 1884 CB GLU B 57 13.288 -16.193 0.197 1.00 62.55 C ATOM 1885 CG GLU B 57 14.176 -17.394 0.476 1.00 34.21 C ATOM 1886 CD GLU B 57 13.775 -18.134 1.737 1.00 2.24 C ATOM 1887 OE1 GLU B 57 14.511 -18.035 2.742 1.00 52.32 O ATOM 1888 OE2 GLU B 57 12.728 -18.813 1.721 1.00 71.31 O ATOM 0 H GLU B 57 12.026 -14.231 -0.619 1.00 62.22 H new ATOM 0 HA GLU B 57 14.110 -15.789 -1.748 1.00 40.41 H new ATOM 0 HB2 GLU B 57 13.706 -15.319 0.696 1.00 62.55 H new ATOM 0 HB3 GLU B 57 12.305 -16.369 0.634 1.00 62.55 H new ATOM 0 HG2 GLU B 57 14.133 -18.078 -0.372 1.00 34.21 H new ATOM 0 HG3 GLU B 57 15.211 -17.063 0.567 1.00 34.21 H new ATOM 1896 N ARG B 58 11.108 -17.187 -1.648 1.00 54.44 N ATOM 1897 CA ARG B 58 10.290 -18.243 -2.232 1.00 14.40 C ATOM 1898 C ARG B 58 9.855 -17.873 -3.647 1.00 65.54 C ATOM 1899 O ARG B 58 9.460 -18.737 -4.432 1.00 14.15 O ATOM 1900 CB ARG B 58 9.060 -18.504 -1.361 1.00 31.21 C ATOM 1901 CG ARG B 58 8.024 -17.393 -1.421 1.00 23.12 C ATOM 1902 CD ARG B 58 7.759 -16.805 -0.045 1.00 3.42 C ATOM 1903 NE ARG B 58 7.436 -17.835 0.939 1.00 22.55 N ATOM 1904 CZ ARG B 58 7.313 -17.598 2.240 1.00 75.34 C ATOM 1905 NH1 ARG B 58 7.485 -16.370 2.712 1.00 2.13 N ATOM 1906 NH2 ARG B 58 7.016 -18.588 3.071 1.00 13.51 N ATOM 0 H ARG B 58 10.618 -16.597 -0.975 1.00 54.44 H new ATOM 0 HA ARG B 58 10.892 -19.150 -2.281 1.00 14.40 H new ATOM 0 HB2 ARG B 58 8.596 -19.439 -1.674 1.00 31.21 H new ATOM 0 HB3 ARG B 58 9.379 -18.636 -0.327 1.00 31.21 H new ATOM 0 HG2 ARG B 58 8.369 -16.608 -2.093 1.00 23.12 H new ATOM 0 HG3 ARG B 58 7.095 -17.782 -1.837 1.00 23.12 H new ATOM 0 HD2 ARG B 58 8.636 -16.250 0.287 1.00 3.42 H new ATOM 0 HD3 ARG B 58 6.936 -16.093 -0.108 1.00 3.42 H new ATOM 0 HE ARG B 58 7.297 -18.790 0.608 1.00 22.55 H new ATOM 0 HH11 ARG B 58 7.712 -15.606 2.075 1.00 2.13 H new ATOM 0 HH12 ARG B 58 7.390 -16.190 3.711 1.00 2.13 H new ATOM 0 HH21 ARG B 58 6.882 -19.533 2.711 1.00 13.51 H new ATOM 0 HH22 ARG B 58 6.922 -18.404 4.070 1.00 13.51 H new ATOM 1920 N LEU B 59 9.932 -16.587 -3.968 1.00 31.31 N ATOM 1921 CA LEU B 59 9.546 -16.102 -5.289 1.00 32.55 C ATOM 1922 C LEU B 59 10.681 -16.290 -6.291 1.00 3.10 C ATOM 1923 O LEU B 59 10.485 -16.847 -7.371 1.00 51.13 O ATOM 1924 CB LEU B 59 9.152 -14.627 -5.218 1.00 54.41 C ATOM 1925 CG LEU B 59 7.825 -14.319 -4.522 1.00 40.54 C ATOM 1926 CD1 LEU B 59 7.725 -12.837 -4.195 1.00 13.02 C ATOM 1927 CD2 LEU B 59 6.653 -14.756 -5.389 1.00 44.44 C ATOM 0 H LEU B 59 10.258 -15.860 -3.331 1.00 31.31 H new ATOM 0 HA LEU B 59 8.688 -16.684 -5.626 1.00 32.55 H new ATOM 0 HB2 LEU B 59 9.944 -14.084 -4.702 1.00 54.41 H new ATOM 0 HB3 LEU B 59 9.106 -14.235 -6.234 1.00 54.41 H new ATOM 0 HG LEU B 59 7.789 -14.880 -3.588 1.00 40.54 H new ATOM 0 HD11 LEU B 59 6.775 -12.637 -3.700 1.00 13.02 H new ATOM 0 HD12 LEU B 59 8.545 -12.554 -3.534 1.00 13.02 H new ATOM 0 HD13 LEU B 59 7.784 -12.256 -5.116 1.00 13.02 H new ATOM 0 HD21 LEU B 59 5.718 -14.529 -4.878 1.00 44.44 H new ATOM 0 HD22 LEU B 59 6.685 -14.224 -6.340 1.00 44.44 H new ATOM 0 HD23 LEU B 59 6.716 -15.829 -5.572 1.00 44.44 H new ATOM 1939 N LYS B 60 11.870 -15.824 -5.923 1.00 53.04 N ATOM 1940 CA LYS B 60 13.039 -15.943 -6.787 1.00 15.53 C ATOM 1941 C LYS B 60 14.039 -16.941 -6.214 1.00 44.10 C ATOM 1942 O LYS B 60 14.284 -17.996 -6.800 1.00 12.40 O ATOM 1943 CB LYS B 60 13.708 -14.578 -6.964 1.00 11.12 C ATOM 1944 CG LYS B 60 12.769 -13.405 -6.735 1.00 3.42 C ATOM 1945 CD LYS B 60 11.632 -13.397 -7.742 1.00 52.02 C ATOM 1946 CE LYS B 60 11.801 -12.284 -8.764 1.00 74.13 C ATOM 1947 NZ LYS B 60 11.787 -10.938 -8.126 1.00 2.21 N ATOM 0 H LYS B 60 12.049 -15.360 -5.032 1.00 53.04 H new ATOM 0 HA LYS B 60 12.707 -16.307 -7.759 1.00 15.53 H new ATOM 0 HB2 LYS B 60 14.547 -14.501 -6.272 1.00 11.12 H new ATOM 0 HB3 LYS B 60 14.119 -14.512 -7.971 1.00 11.12 H new ATOM 0 HG2 LYS B 60 12.362 -13.455 -5.725 1.00 3.42 H new ATOM 0 HG3 LYS B 60 13.327 -12.471 -6.807 1.00 3.42 H new ATOM 0 HD2 LYS B 60 11.591 -14.359 -8.253 1.00 52.02 H new ATOM 0 HD3 LYS B 60 10.683 -13.272 -7.220 1.00 52.02 H new ATOM 0 HE2 LYS B 60 12.740 -12.422 -9.300 1.00 74.13 H new ATOM 0 HE3 LYS B 60 11.001 -12.344 -9.502 1.00 74.13 H new ATOM 0 HZ1 LYS B 60 11.402 -10.241 -8.795 1.00 2.21 H new ATOM 0 HZ2 LYS B 60 11.193 -10.964 -7.273 1.00 2.21 H new ATOM 0 HZ3 LYS B 60 12.757 -10.668 -7.864 1.00 2.21 H new ATOM 1961 N LYS B 61 14.615 -16.603 -5.065 1.00 14.30 N ATOM 1962 CA LYS B 61 15.586 -17.470 -4.411 1.00 24.31 C ATOM 1963 C LYS B 61 16.080 -16.849 -3.108 1.00 63.55 C ATOM 1964 O LYS B 61 15.773 -17.338 -2.020 1.00 52.04 O ATOM 1965 CB LYS B 61 16.771 -17.737 -5.343 1.00 42.23 C ATOM 1966 CG LYS B 61 16.934 -19.201 -5.716 1.00 1.42 C ATOM 1967 CD LYS B 61 17.618 -19.359 -7.063 1.00 61.41 C ATOM 1968 CE LYS B 61 18.093 -20.788 -7.282 1.00 1.34 C ATOM 1969 NZ LYS B 61 19.137 -21.182 -6.295 1.00 11.45 N ATOM 0 H LYS B 61 14.425 -15.733 -4.567 1.00 14.30 H new ATOM 0 HA LYS B 61 15.094 -18.414 -4.179 1.00 24.31 H new ATOM 0 HB2 LYS B 61 16.646 -17.151 -6.253 1.00 42.23 H new ATOM 0 HB3 LYS B 61 17.686 -17.389 -4.863 1.00 42.23 H new ATOM 0 HG2 LYS B 61 17.517 -19.710 -4.949 1.00 1.42 H new ATOM 0 HG3 LYS B 61 15.956 -19.681 -5.745 1.00 1.42 H new ATOM 0 HD2 LYS B 61 16.928 -19.078 -7.858 1.00 61.41 H new ATOM 0 HD3 LYS B 61 18.467 -18.679 -7.123 1.00 61.41 H new ATOM 0 HE2 LYS B 61 17.245 -21.469 -7.205 1.00 1.34 H new ATOM 0 HE3 LYS B 61 18.491 -20.888 -8.292 1.00 1.34 H new ATOM 0 HZ1 LYS B 61 19.692 -21.975 -6.675 1.00 11.45 H new ATOM 0 HZ2 LYS B 61 19.766 -20.374 -6.114 1.00 11.45 H new ATOM 0 HZ3 LYS B 61 18.682 -21.472 -5.406 1.00 11.45 H new ATOM 1983 N LEU B 62 16.845 -15.769 -3.226 1.00 61.11 N ATOM 1984 CA LEU B 62 17.381 -15.079 -2.057 1.00 25.54 C ATOM 1985 C LEU B 62 18.141 -16.047 -1.155 1.00 62.25 C ATOM 1986 O LEU B 62 19.113 -16.652 -1.606 1.00 1.15 O ATOM 1987 CB LEU B 62 16.250 -14.414 -1.271 1.00 51.34 C ATOM 1988 CG LEU B 62 16.570 -13.047 -0.663 1.00 31.24 C ATOM 1989 CD1 LEU B 62 17.684 -13.169 0.364 1.00 52.23 C ATOM 1990 CD2 LEU B 62 16.951 -12.055 -1.751 1.00 73.44 C ATOM 0 H LEU B 62 17.108 -15.352 -4.119 1.00 61.11 H new ATOM 0 HA LEU B 62 18.075 -14.313 -2.403 1.00 25.54 H new ATOM 0 HB2 LEU B 62 15.391 -14.303 -1.932 1.00 51.34 H new ATOM 0 HB3 LEU B 62 15.949 -15.086 -0.467 1.00 51.34 H new ATOM 0 HG LEU B 62 15.677 -12.676 -0.159 1.00 31.24 H new ATOM 0 HD11 LEU B 62 17.899 -12.187 0.786 1.00 52.23 H new ATOM 0 HD12 LEU B 62 17.373 -13.846 1.160 1.00 52.23 H new ATOM 0 HD13 LEU B 62 18.580 -13.561 -0.116 1.00 52.23 H new ATOM 0 HD21 LEU B 62 17.175 -11.088 -1.300 1.00 73.44 H new ATOM 0 HD22 LEU B 62 17.829 -12.419 -2.284 1.00 73.44 H new ATOM 0 HD23 LEU B 62 16.122 -11.946 -2.450 1.00 73.44 H new