USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 155:sc= -0.0305 (180deg=-0.297) 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 -158:sc= -0.0547 (180deg=-0.363) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -148:sc= -1.93! USER MOD Single : A 46 LYS NZ :NH3+ 171:sc=-0.00168 (180deg=-0.11) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= -0.153 (180deg=-0.704) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -117:sc= 0.0838 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 156:sc= -0.0273 (180deg=-0.278) 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 -158:sc= -0.0838 (180deg=-0.428) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -128:sc= 1.38 USER MOD Single : B 46 LYS NZ :NH3+ 171:sc= -0.0122 (180deg=-0.117) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ -147:sc= -0.172 (180deg=-0.796) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -14.441 20.586 0.160 1.00 43.32 N ATOM 19 CA LYS A 2 -13.101 20.412 -0.390 1.00 71.32 C ATOM 20 C LYS A 2 -12.324 21.723 -0.356 1.00 3.31 C ATOM 21 O LYS A 2 -12.735 22.683 0.296 1.00 50.52 O ATOM 22 CB LYS A 2 -13.181 19.891 -1.827 1.00 72.43 C ATOM 23 CG LYS A 2 -13.612 20.944 -2.832 1.00 53.24 C ATOM 24 CD LYS A 2 -14.726 20.436 -3.732 1.00 10.13 C ATOM 25 CE LYS A 2 -16.079 20.983 -3.306 1.00 75.12 C ATOM 26 NZ LYS A 2 -16.178 22.453 -3.524 1.00 64.33 N ATOM 0 HA LYS A 2 -12.575 19.683 0.226 1.00 71.32 H new ATOM 0 HB2 LYS A 2 -12.206 19.501 -2.118 1.00 72.43 H new ATOM 0 HB3 LYS A 2 -13.882 19.057 -1.864 1.00 72.43 H new ATOM 0 HG2 LYS A 2 -13.949 21.836 -2.303 1.00 53.24 H new ATOM 0 HG3 LYS A 2 -12.757 21.238 -3.441 1.00 53.24 H new ATOM 0 HD2 LYS A 2 -14.523 20.726 -4.763 1.00 10.13 H new ATOM 0 HD3 LYS A 2 -14.748 19.347 -3.706 1.00 10.13 H new ATOM 0 HE2 LYS A 2 -16.867 20.479 -3.866 1.00 75.12 H new ATOM 0 HE3 LYS A 2 -16.245 20.760 -2.252 1.00 75.12 H new ATOM 0 HZ1 LYS A 2 -17.177 22.721 -3.636 1.00 64.33 H new ATOM 0 HZ2 LYS A 2 -15.775 22.953 -2.706 1.00 64.33 H new ATOM 0 HZ3 LYS A 2 -15.652 22.713 -4.383 1.00 64.33 H new ATOM 40 N LYS A 3 -11.199 21.758 -1.062 1.00 65.31 N ATOM 41 CA LYS A 3 -10.365 22.952 -1.116 1.00 43.20 C ATOM 42 C LYS A 3 -9.147 22.726 -2.006 1.00 30.23 C ATOM 43 O LYS A 3 -8.876 23.510 -2.917 1.00 24.53 O ATOM 44 CB LYS A 3 -9.915 23.348 0.292 1.00 4.13 C ATOM 45 CG LYS A 3 -10.580 24.611 0.811 1.00 43.14 C ATOM 46 CD LYS A 3 -9.571 25.730 1.013 1.00 15.02 C ATOM 47 CE LYS A 3 -8.693 25.475 2.228 1.00 34.22 C ATOM 48 NZ LYS A 3 -7.816 26.639 2.532 1.00 33.00 N ATOM 0 H LYS A 3 -10.844 20.971 -1.606 1.00 65.31 H new ATOM 0 HA LYS A 3 -10.959 23.761 -1.542 1.00 43.20 H new ATOM 0 HB2 LYS A 3 -10.129 22.527 0.977 1.00 4.13 H new ATOM 0 HB3 LYS A 3 -8.834 23.490 0.292 1.00 4.13 H new ATOM 0 HG2 LYS A 3 -11.348 24.934 0.108 1.00 43.14 H new ATOM 0 HG3 LYS A 3 -11.082 24.398 1.755 1.00 43.14 H new ATOM 0 HD2 LYS A 3 -8.947 25.823 0.124 1.00 15.02 H new ATOM 0 HD3 LYS A 3 -10.096 26.677 1.134 1.00 15.02 H new ATOM 0 HE2 LYS A 3 -9.322 25.259 3.092 1.00 34.22 H new ATOM 0 HE3 LYS A 3 -8.078 24.593 2.053 1.00 34.22 H new ATOM 0 HZ1 LYS A 3 -7.233 26.426 3.367 1.00 33.00 H new ATOM 0 HZ2 LYS A 3 -7.198 26.830 1.718 1.00 33.00 H new ATOM 0 HZ3 LYS A 3 -8.403 27.475 2.724 1.00 33.00 H new ATOM 62 N LEU A 4 -8.416 21.649 -1.737 1.00 51.44 N ATOM 63 CA LEU A 4 -7.228 21.319 -2.516 1.00 24.21 C ATOM 64 C LEU A 4 -6.535 20.081 -1.953 1.00 71.01 C ATOM 65 O LEU A 4 -5.931 19.305 -2.694 1.00 30.40 O ATOM 66 CB LEU A 4 -6.255 22.499 -2.526 1.00 53.14 C ATOM 67 CG LEU A 4 -5.704 22.902 -3.894 1.00 14.33 C ATOM 68 CD1 LEU A 4 -4.906 21.762 -4.505 1.00 71.30 C ATOM 69 CD2 LEU A 4 -6.834 23.324 -4.822 1.00 3.22 C ATOM 0 H LEU A 4 -8.625 20.991 -0.986 1.00 51.44 H new ATOM 0 HA LEU A 4 -7.542 21.106 -3.538 1.00 24.21 H new ATOM 0 HB2 LEU A 4 -6.758 23.362 -2.090 1.00 53.14 H new ATOM 0 HB3 LEU A 4 -5.415 22.257 -1.875 1.00 53.14 H new ATOM 0 HG LEU A 4 -5.036 23.753 -3.759 1.00 14.33 H new ATOM 0 HD11 LEU A 4 -4.522 22.067 -5.478 1.00 71.30 H new ATOM 0 HD12 LEU A 4 -4.073 21.509 -3.849 1.00 71.30 H new ATOM 0 HD13 LEU A 4 -5.550 20.891 -4.626 1.00 71.30 H new ATOM 0 HD21 LEU A 4 -6.423 23.607 -5.791 1.00 3.22 H new ATOM 0 HD22 LEU A 4 -7.528 22.493 -4.951 1.00 3.22 H new ATOM 0 HD23 LEU A 4 -7.362 24.174 -4.389 1.00 3.22 H new ATOM 81 N ARG A 5 -6.630 19.902 -0.639 1.00 2.10 N ATOM 82 CA ARG A 5 -6.013 18.758 0.022 1.00 54.32 C ATOM 83 C ARG A 5 -6.719 17.462 -0.364 1.00 32.01 C ATOM 84 O ARG A 5 -6.132 16.382 -0.300 1.00 50.30 O ATOM 85 CB ARG A 5 -6.052 18.939 1.541 1.00 11.33 C ATOM 86 CG ARG A 5 -5.577 20.307 2.004 1.00 44.13 C ATOM 87 CD ARG A 5 -5.208 20.299 3.479 1.00 53.41 C ATOM 88 NE ARG A 5 -3.996 21.069 3.744 1.00 0.31 N ATOM 89 CZ ARG A 5 -3.467 21.213 4.953 1.00 14.25 C ATOM 90 NH1 ARG A 5 -4.039 20.641 6.003 1.00 31.34 N ATOM 91 NH2 ARG A 5 -2.361 21.930 5.115 1.00 32.14 N ATOM 0 H ARG A 5 -7.128 20.534 -0.012 1.00 2.10 H new ATOM 0 HA ARG A 5 -4.975 18.697 -0.304 1.00 54.32 H new ATOM 0 HB2 ARG A 5 -7.072 18.780 1.891 1.00 11.33 H new ATOM 0 HB3 ARG A 5 -5.432 18.172 2.006 1.00 11.33 H new ATOM 0 HG2 ARG A 5 -4.713 20.612 1.413 1.00 44.13 H new ATOM 0 HG3 ARG A 5 -6.360 21.044 1.828 1.00 44.13 H new ATOM 0 HD2 ARG A 5 -6.033 20.710 4.061 1.00 53.41 H new ATOM 0 HD3 ARG A 5 -5.064 19.271 3.811 1.00 53.41 H new ATOM 0 HE ARG A 5 -3.530 21.521 2.957 1.00 0.31 H new ATOM 0 HH11 ARG A 5 -4.888 20.088 5.883 1.00 31.34 H new ATOM 0 HH12 ARG A 5 -3.630 20.753 6.931 1.00 31.34 H new ATOM 0 HH21 ARG A 5 -1.917 22.371 4.310 1.00 32.14 H new ATOM 0 HH22 ARG A 5 -1.956 22.040 6.045 1.00 32.14 H new ATOM 105 N GLU A 6 -7.982 17.577 -0.765 1.00 11.45 N ATOM 106 CA GLU A 6 -8.767 16.414 -1.159 1.00 45.32 C ATOM 107 C GLU A 6 -8.047 15.615 -2.242 1.00 62.04 C ATOM 108 O GLU A 6 -8.247 14.407 -2.372 1.00 42.42 O ATOM 109 CB GLU A 6 -10.146 16.848 -1.661 1.00 44.33 C ATOM 110 CG GLU A 6 -11.270 16.555 -0.683 1.00 4.04 C ATOM 111 CD GLU A 6 -12.586 16.264 -1.376 1.00 65.52 C ATOM 112 OE1 GLU A 6 -13.641 16.659 -0.836 1.00 22.00 O ATOM 113 OE2 GLU A 6 -12.562 15.640 -2.458 1.00 31.33 O ATOM 0 H GLU A 6 -8.482 18.464 -0.825 1.00 11.45 H new ATOM 0 HA GLU A 6 -8.892 15.777 -0.283 1.00 45.32 H new ATOM 0 HB2 GLU A 6 -10.127 17.918 -1.870 1.00 44.33 H new ATOM 0 HB3 GLU A 6 -10.355 16.343 -2.604 1.00 44.33 H new ATOM 0 HG2 GLU A 6 -10.994 15.702 -0.063 1.00 4.04 H new ATOM 0 HG3 GLU A 6 -11.396 17.407 -0.015 1.00 4.04 H new ATOM 121 N GLU A 7 -7.212 16.298 -3.018 1.00 1.24 N ATOM 122 CA GLU A 7 -6.464 15.652 -4.091 1.00 32.04 C ATOM 123 C GLU A 7 -5.668 14.464 -3.559 1.00 2.23 C ATOM 124 O GLU A 7 -5.446 13.484 -4.270 1.00 13.02 O ATOM 125 CB GLU A 7 -5.520 16.654 -4.760 1.00 12.24 C ATOM 126 CG GLU A 7 -6.127 17.350 -5.966 1.00 63.44 C ATOM 127 CD GLU A 7 -5.086 18.040 -6.825 1.00 54.12 C ATOM 128 OE1 GLU A 7 -5.408 19.095 -7.412 1.00 62.02 O ATOM 129 OE2 GLU A 7 -3.951 17.528 -6.911 1.00 73.42 O ATOM 0 H GLU A 7 -7.036 17.298 -2.924 1.00 1.24 H new ATOM 0 HA GLU A 7 -7.178 15.288 -4.830 1.00 32.04 H new ATOM 0 HB2 GLU A 7 -5.224 17.406 -4.028 1.00 12.24 H new ATOM 0 HB3 GLU A 7 -4.613 16.135 -5.069 1.00 12.24 H new ATOM 0 HG2 GLU A 7 -6.665 16.619 -6.570 1.00 63.44 H new ATOM 0 HG3 GLU A 7 -6.858 18.084 -5.628 1.00 63.44 H new ATOM 137 N ALA A 8 -5.240 14.558 -2.304 1.00 71.15 N ATOM 138 CA ALA A 8 -4.471 13.491 -1.676 1.00 41.23 C ATOM 139 C ALA A 8 -5.361 12.301 -1.334 1.00 31.10 C ATOM 140 O ALA A 8 -4.895 11.164 -1.272 1.00 33.13 O ATOM 141 CB ALA A 8 -3.774 14.008 -0.427 1.00 51.35 C ATOM 0 H ALA A 8 -5.413 15.363 -1.702 1.00 71.15 H new ATOM 0 HA ALA A 8 -3.716 13.154 -2.386 1.00 41.23 H new ATOM 0 HB1 ALA A 8 -3.203 13.201 0.032 1.00 51.35 H new ATOM 0 HB2 ALA A 8 -3.100 14.821 -0.697 1.00 51.35 H new ATOM 0 HB3 ALA A 8 -4.519 14.373 0.280 1.00 51.35 H new ATOM 147 N ALA A 9 -6.643 12.571 -1.113 1.00 72.13 N ATOM 148 CA ALA A 9 -7.598 11.522 -0.778 1.00 72.03 C ATOM 149 C ALA A 9 -7.646 10.455 -1.867 1.00 34.22 C ATOM 150 O ALA A 9 -7.542 9.262 -1.586 1.00 24.51 O ATOM 151 CB ALA A 9 -8.981 12.117 -0.558 1.00 52.22 C ATOM 0 H ALA A 9 -7.044 13.508 -1.160 1.00 72.13 H new ATOM 0 HA ALA A 9 -7.268 11.047 0.146 1.00 72.03 H new ATOM 0 HB1 ALA A 9 -9.684 11.322 -0.309 1.00 52.22 H new ATOM 0 HB2 ALA A 9 -8.942 12.836 0.260 1.00 52.22 H new ATOM 0 HB3 ALA A 9 -9.310 12.620 -1.468 1.00 52.22 H new ATOM 157 N LYS A 10 -7.806 10.894 -3.111 1.00 4.23 N ATOM 158 CA LYS A 10 -7.868 9.977 -4.244 1.00 2.45 C ATOM 159 C LYS A 10 -6.627 9.092 -4.295 1.00 21.32 C ATOM 160 O LYS A 10 -6.724 7.883 -4.511 1.00 3.52 O ATOM 161 CB LYS A 10 -8.004 10.760 -5.551 1.00 45.15 C ATOM 162 CG LYS A 10 -9.086 11.825 -5.514 1.00 63.24 C ATOM 163 CD LYS A 10 -9.433 12.317 -6.909 1.00 24.11 C ATOM 164 CE LYS A 10 -10.554 11.496 -7.528 1.00 30.43 C ATOM 165 NZ LYS A 10 -11.794 12.300 -7.710 1.00 62.15 N ATOM 0 H LYS A 10 -7.895 11.879 -3.360 1.00 4.23 H new ATOM 0 HA LYS A 10 -8.742 9.339 -4.117 1.00 2.45 H new ATOM 0 HB2 LYS A 10 -7.049 11.232 -5.782 1.00 45.15 H new ATOM 0 HB3 LYS A 10 -8.220 10.063 -6.361 1.00 45.15 H new ATOM 0 HG2 LYS A 10 -9.979 11.421 -5.037 1.00 63.24 H new ATOM 0 HG3 LYS A 10 -8.751 12.664 -4.904 1.00 63.24 H new ATOM 0 HD2 LYS A 10 -9.731 13.364 -6.863 1.00 24.11 H new ATOM 0 HD3 LYS A 10 -8.549 12.265 -7.545 1.00 24.11 H new ATOM 0 HE2 LYS A 10 -10.229 11.106 -8.493 1.00 30.43 H new ATOM 0 HE3 LYS A 10 -10.768 10.637 -6.893 1.00 30.43 H new ATOM 0 HZ1 LYS A 10 -12.534 11.705 -8.134 1.00 62.15 H new ATOM 0 HZ2 LYS A 10 -12.119 12.651 -6.786 1.00 62.15 H new ATOM 0 HZ3 LYS A 10 -11.596 13.106 -8.337 1.00 62.15 H new ATOM 179 N LEU A 11 -5.463 9.699 -4.094 1.00 15.24 N ATOM 180 CA LEU A 11 -4.203 8.965 -4.115 1.00 51.43 C ATOM 181 C LEU A 11 -4.262 7.754 -3.191 1.00 60.51 C ATOM 182 O LEU A 11 -3.766 6.678 -3.528 1.00 74.21 O ATOM 183 CB LEU A 11 -3.049 9.881 -3.702 1.00 71.51 C ATOM 184 CG LEU A 11 -3.016 11.260 -4.362 1.00 24.11 C ATOM 185 CD1 LEU A 11 -1.747 12.005 -3.979 1.00 70.02 C ATOM 186 CD2 LEU A 11 -3.124 11.129 -5.875 1.00 53.03 C ATOM 0 H LEU A 11 -5.365 10.698 -3.914 1.00 15.24 H new ATOM 0 HA LEU A 11 -4.033 8.614 -5.133 1.00 51.43 H new ATOM 0 HB2 LEU A 11 -3.090 10.019 -2.621 1.00 71.51 H new ATOM 0 HB3 LEU A 11 -2.111 9.372 -3.923 1.00 71.51 H new ATOM 0 HG LEU A 11 -3.871 11.834 -4.004 1.00 24.11 H new ATOM 0 HD11 LEU A 11 -1.741 12.984 -4.458 1.00 70.02 H new ATOM 0 HD12 LEU A 11 -1.711 12.130 -2.897 1.00 70.02 H new ATOM 0 HD13 LEU A 11 -0.878 11.435 -4.307 1.00 70.02 H new ATOM 0 HD21 LEU A 11 -3.099 12.120 -6.329 1.00 53.03 H new ATOM 0 HD22 LEU A 11 -2.289 10.537 -6.250 1.00 53.03 H new ATOM 0 HD23 LEU A 11 -4.062 10.636 -6.132 1.00 53.03 H new ATOM 198 N PHE A 12 -4.873 7.935 -2.025 1.00 22.11 N ATOM 199 CA PHE A 12 -4.999 6.857 -1.052 1.00 24.53 C ATOM 200 C PHE A 12 -6.052 5.844 -1.495 1.00 11.42 C ATOM 201 O PHE A 12 -5.989 4.670 -1.133 1.00 12.03 O ATOM 202 CB PHE A 12 -5.365 7.421 0.322 1.00 3.42 C ATOM 203 CG PHE A 12 -4.327 8.350 0.884 1.00 53.20 C ATOM 204 CD1 PHE A 12 -2.979 8.046 0.785 1.00 54.34 C ATOM 205 CD2 PHE A 12 -4.701 9.528 1.511 1.00 4.21 C ATOM 206 CE1 PHE A 12 -2.022 8.900 1.300 1.00 31.14 C ATOM 207 CE2 PHE A 12 -3.747 10.385 2.028 1.00 54.11 C ATOM 208 CZ PHE A 12 -2.407 10.070 1.923 1.00 1.42 C ATOM 0 H PHE A 12 -5.289 8.819 -1.731 1.00 22.11 H new ATOM 0 HA PHE A 12 -4.037 6.349 -0.984 1.00 24.53 H new ATOM 0 HB2 PHE A 12 -6.314 7.952 0.247 1.00 3.42 H new ATOM 0 HB3 PHE A 12 -5.516 6.595 1.017 1.00 3.42 H new ATOM 0 HD1 PHE A 12 -2.672 7.131 0.300 1.00 54.34 H new ATOM 0 HD2 PHE A 12 -5.748 9.779 1.597 1.00 4.21 H new ATOM 0 HE1 PHE A 12 -0.974 8.652 1.215 1.00 31.14 H new ATOM 0 HE2 PHE A 12 -4.050 11.301 2.514 1.00 54.11 H new ATOM 0 HZ PHE A 12 -1.661 10.738 2.328 1.00 1.42 H new ATOM 218 N GLU A 13 -7.018 6.309 -2.281 1.00 3.43 N ATOM 219 CA GLU A 13 -8.085 5.445 -2.772 1.00 4.45 C ATOM 220 C GLU A 13 -7.511 4.219 -3.476 1.00 1.33 C ATOM 221 O GLU A 13 -8.139 3.161 -3.512 1.00 53.50 O ATOM 222 CB GLU A 13 -8.995 6.217 -3.729 1.00 73.44 C ATOM 223 CG GLU A 13 -10.472 5.912 -3.542 1.00 71.43 C ATOM 224 CD GLU A 13 -11.368 6.916 -4.241 1.00 32.54 C ATOM 225 OE1 GLU A 13 -11.673 6.708 -5.434 1.00 31.21 O ATOM 226 OE2 GLU A 13 -11.765 7.909 -3.596 1.00 34.24 O ATOM 0 H GLU A 13 -7.084 7.278 -2.591 1.00 3.43 H new ATOM 0 HA GLU A 13 -8.670 5.110 -1.916 1.00 4.45 H new ATOM 0 HB2 GLU A 13 -8.833 7.286 -3.589 1.00 73.44 H new ATOM 0 HB3 GLU A 13 -8.711 5.983 -4.755 1.00 73.44 H new ATOM 0 HG2 GLU A 13 -10.684 4.913 -3.924 1.00 71.43 H new ATOM 0 HG3 GLU A 13 -10.705 5.902 -2.477 1.00 71.43 H new ATOM 234 N GLU A 14 -6.313 4.371 -4.034 1.00 70.44 N ATOM 235 CA GLU A 14 -5.657 3.276 -4.739 1.00 24.12 C ATOM 236 C GLU A 14 -5.140 2.230 -3.755 1.00 64.32 C ATOM 237 O GLU A 14 -5.119 1.036 -4.058 1.00 51.21 O ATOM 238 CB GLU A 14 -4.501 3.808 -5.588 1.00 4.52 C ATOM 239 CG GLU A 14 -4.879 4.996 -6.456 1.00 12.20 C ATOM 240 CD GLU A 14 -4.064 5.070 -7.732 1.00 52.12 C ATOM 241 OE1 GLU A 14 -3.453 6.130 -7.984 1.00 60.10 O ATOM 242 OE2 GLU A 14 -4.037 4.070 -8.478 1.00 60.44 O ATOM 0 H GLU A 14 -5.779 5.240 -4.011 1.00 70.44 H new ATOM 0 HA GLU A 14 -6.392 2.805 -5.392 1.00 24.12 H new ATOM 0 HB2 GLU A 14 -3.681 4.096 -4.930 1.00 4.52 H new ATOM 0 HB3 GLU A 14 -4.131 3.006 -6.226 1.00 4.52 H new ATOM 0 HG2 GLU A 14 -5.937 4.934 -6.709 1.00 12.20 H new ATOM 0 HG3 GLU A 14 -4.740 5.915 -5.887 1.00 12.20 H new ATOM 250 N TRP A 15 -4.724 2.685 -2.580 1.00 44.02 N ATOM 251 CA TRP A 15 -4.207 1.789 -1.552 1.00 24.32 C ATOM 252 C TRP A 15 -5.291 0.834 -1.066 1.00 11.01 C ATOM 253 O TRP A 15 -5.062 -0.369 -0.937 1.00 14.10 O ATOM 254 CB TRP A 15 -3.653 2.594 -0.376 1.00 1.23 C ATOM 255 CG TRP A 15 -2.629 1.849 0.425 1.00 3.34 C ATOM 256 CD1 TRP A 15 -2.388 0.505 0.401 1.00 63.44 C ATOM 257 CD2 TRP A 15 -1.708 2.405 1.371 1.00 40.24 C ATOM 258 NE1 TRP A 15 -1.374 0.192 1.273 1.00 51.33 N ATOM 259 CE2 TRP A 15 -0.939 1.341 1.880 1.00 41.03 C ATOM 260 CE3 TRP A 15 -1.458 3.699 1.835 1.00 54.43 C ATOM 261 CZ2 TRP A 15 0.060 1.533 2.830 1.00 22.31 C ATOM 262 CZ3 TRP A 15 -0.466 3.888 2.778 1.00 62.22 C ATOM 263 CH2 TRP A 15 0.284 2.810 3.266 1.00 11.32 C ATOM 0 H TRP A 15 -4.734 3.670 -2.314 1.00 44.02 H new ATOM 0 HA TRP A 15 -3.402 1.200 -1.991 1.00 24.32 H new ATOM 0 HB2 TRP A 15 -3.209 3.515 -0.753 1.00 1.23 H new ATOM 0 HB3 TRP A 15 -4.476 2.881 0.278 1.00 1.23 H new ATOM 0 HD1 TRP A 15 -2.917 -0.208 -0.214 1.00 63.44 H new ATOM 0 HE1 TRP A 15 -1.005 -0.744 1.441 1.00 51.33 H new ATOM 0 HE3 TRP A 15 -2.030 4.536 1.463 1.00 54.43 H new ATOM 0 HZ2 TRP A 15 0.638 0.703 3.209 1.00 22.31 H new ATOM 0 HZ3 TRP A 15 -0.265 4.884 3.145 1.00 62.22 H new ATOM 0 HH2 TRP A 15 1.054 2.991 4.001 1.00 11.32 H new ATOM 274 N LYS A 16 -6.474 1.378 -0.796 1.00 45.25 N ATOM 275 CA LYS A 16 -7.596 0.574 -0.325 1.00 50.52 C ATOM 276 C LYS A 16 -8.236 -0.194 -1.477 1.00 33.21 C ATOM 277 O LYS A 16 -8.812 -1.264 -1.279 1.00 30.00 O ATOM 278 CB LYS A 16 -8.640 1.466 0.349 1.00 15.24 C ATOM 279 CG LYS A 16 -9.097 2.629 -0.515 1.00 50.00 C ATOM 280 CD LYS A 16 -10.319 3.314 0.073 1.00 14.10 C ATOM 281 CE LYS A 16 -11.317 3.697 -1.008 1.00 73.32 C ATOM 282 NZ LYS A 16 -12.417 2.699 -1.126 1.00 64.12 N ATOM 0 H LYS A 16 -6.680 2.372 -0.895 1.00 45.25 H new ATOM 0 HA LYS A 16 -7.217 -0.145 0.401 1.00 50.52 H new ATOM 0 HB2 LYS A 16 -9.506 0.860 0.615 1.00 15.24 H new ATOM 0 HB3 LYS A 16 -8.226 1.856 1.279 1.00 15.24 H new ATOM 0 HG2 LYS A 16 -8.286 3.351 -0.613 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -9.327 2.270 -1.518 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -10.798 2.651 0.793 1.00 14.10 H new ATOM 0 HD3 LYS A 16 -10.010 4.206 0.618 1.00 14.10 H new ATOM 0 HE2 LYS A 16 -11.738 4.677 -0.783 1.00 73.32 H new ATOM 0 HE3 LYS A 16 -10.801 3.784 -1.964 1.00 73.32 H new ATOM 0 HZ1 LYS A 16 -13.076 2.996 -1.873 1.00 64.12 H new ATOM 0 HZ2 LYS A 16 -12.018 1.769 -1.366 1.00 64.12 H new ATOM 0 HZ3 LYS A 16 -12.926 2.634 -0.221 1.00 64.12 H new ATOM 296 N LYS A 17 -8.130 0.357 -2.681 1.00 72.45 N ATOM 297 CA LYS A 17 -8.696 -0.278 -3.866 1.00 43.11 C ATOM 298 C LYS A 17 -7.844 -1.464 -4.308 1.00 33.42 C ATOM 299 O LYS A 17 -8.307 -2.605 -4.314 1.00 60.21 O ATOM 300 CB LYS A 17 -8.809 0.736 -5.007 1.00 64.44 C ATOM 301 CG LYS A 17 -10.080 1.566 -4.959 1.00 52.53 C ATOM 302 CD LYS A 17 -11.273 0.792 -5.493 1.00 20.42 C ATOM 303 CE LYS A 17 -12.550 1.154 -4.750 1.00 41.55 C ATOM 304 NZ LYS A 17 -13.642 0.176 -5.013 1.00 42.24 N ATOM 0 H LYS A 17 -7.657 1.242 -2.863 1.00 72.45 H new ATOM 0 HA LYS A 17 -9.691 -0.643 -3.612 1.00 43.11 H new ATOM 0 HB2 LYS A 17 -7.948 1.403 -4.975 1.00 64.44 H new ATOM 0 HB3 LYS A 17 -8.767 0.206 -5.959 1.00 64.44 H new ATOM 0 HG2 LYS A 17 -10.276 1.874 -3.932 1.00 52.53 H new ATOM 0 HG3 LYS A 17 -9.944 2.475 -5.544 1.00 52.53 H new ATOM 0 HD2 LYS A 17 -11.397 1.001 -6.556 1.00 20.42 H new ATOM 0 HD3 LYS A 17 -11.086 -0.278 -5.398 1.00 20.42 H new ATOM 0 HE2 LYS A 17 -12.348 1.194 -3.680 1.00 41.55 H new ATOM 0 HE3 LYS A 17 -12.875 2.150 -5.050 1.00 41.55 H new ATOM 0 HZ1 LYS A 17 -14.495 0.458 -4.489 1.00 42.24 H new ATOM 0 HZ2 LYS A 17 -13.853 0.156 -6.031 1.00 42.24 H new ATOM 0 HZ3 LYS A 17 -13.342 -0.770 -4.703 1.00 42.24 H new ATOM 318 N LEU A 18 -6.598 -1.187 -4.674 1.00 44.51 N ATOM 319 CA LEU A 18 -5.681 -2.231 -5.116 1.00 23.24 C ATOM 320 C LEU A 18 -5.537 -3.316 -4.052 1.00 43.11 C ATOM 321 O LEU A 18 -5.206 -4.461 -4.359 1.00 52.02 O ATOM 322 CB LEU A 18 -4.311 -1.632 -5.437 1.00 3.42 C ATOM 323 CG LEU A 18 -4.188 -0.924 -6.787 1.00 1.25 C ATOM 324 CD1 LEU A 18 -3.290 0.299 -6.668 1.00 31.10 C ATOM 325 CD2 LEU A 18 -3.653 -1.879 -7.844 1.00 31.31 C ATOM 0 H LEU A 18 -6.199 -0.248 -4.673 1.00 44.51 H new ATOM 0 HA LEU A 18 -6.093 -2.684 -6.018 1.00 23.24 H new ATOM 0 HB2 LEU A 18 -4.054 -0.921 -4.652 1.00 3.42 H new ATOM 0 HB3 LEU A 18 -3.570 -2.430 -5.399 1.00 3.42 H new ATOM 0 HG LEU A 18 -5.180 -0.593 -7.094 1.00 1.25 H new ATOM 0 HD11 LEU A 18 -3.214 0.790 -7.638 1.00 31.10 H new ATOM 0 HD12 LEU A 18 -3.714 0.993 -5.942 1.00 31.10 H new ATOM 0 HD13 LEU A 18 -2.298 -0.009 -6.338 1.00 31.10 H new ATOM 0 HD21 LEU A 18 -3.572 -1.358 -8.798 1.00 31.31 H new ATOM 0 HD22 LEU A 18 -2.670 -2.240 -7.544 1.00 31.31 H new ATOM 0 HD23 LEU A 18 -4.334 -2.724 -7.949 1.00 31.31 H new ATOM 337 N ALA A 19 -5.791 -2.947 -2.801 1.00 11.32 N ATOM 338 CA ALA A 19 -5.694 -3.889 -1.693 1.00 15.33 C ATOM 339 C ALA A 19 -6.853 -4.878 -1.710 1.00 70.50 C ATOM 340 O ALA A 19 -6.717 -6.016 -1.262 1.00 51.21 O ATOM 341 CB ALA A 19 -5.655 -3.142 -0.367 1.00 55.23 C ATOM 0 H ALA A 19 -6.065 -2.003 -2.530 1.00 11.32 H new ATOM 0 HA ALA A 19 -4.768 -4.453 -1.808 1.00 15.33 H new ATOM 0 HB1 ALA A 19 -5.583 -3.858 0.452 1.00 55.23 H new ATOM 0 HB2 ALA A 19 -4.789 -2.480 -0.348 1.00 55.23 H new ATOM 0 HB3 ALA A 19 -6.565 -2.553 -0.254 1.00 55.23 H new ATOM 347 N GLU A 20 -7.994 -4.437 -2.231 1.00 72.32 N ATOM 348 CA GLU A 20 -9.178 -5.286 -2.305 1.00 41.31 C ATOM 349 C GLU A 20 -9.019 -6.348 -3.389 1.00 11.32 C ATOM 350 O GLU A 20 -9.248 -7.533 -3.149 1.00 74.22 O ATOM 351 CB GLU A 20 -10.422 -4.439 -2.583 1.00 71.31 C ATOM 352 CG GLU A 20 -11.726 -5.201 -2.412 1.00 50.24 C ATOM 353 CD GLU A 20 -12.190 -5.246 -0.969 1.00 52.53 C ATOM 354 OE1 GLU A 20 -13.122 -4.490 -0.622 1.00 40.11 O ATOM 355 OE2 GLU A 20 -11.622 -6.036 -0.187 1.00 63.34 O ATOM 0 H GLU A 20 -8.124 -3.498 -2.608 1.00 72.32 H new ATOM 0 HA GLU A 20 -9.296 -5.788 -1.344 1.00 41.31 H new ATOM 0 HB2 GLU A 20 -10.423 -3.579 -1.914 1.00 71.31 H new ATOM 0 HB3 GLU A 20 -10.368 -4.051 -3.600 1.00 71.31 H new ATOM 0 HG2 GLU A 20 -12.498 -4.734 -3.024 1.00 50.24 H new ATOM 0 HG3 GLU A 20 -11.599 -6.219 -2.781 1.00 50.24 H new ATOM 363 N GLU A 21 -8.626 -5.913 -4.583 1.00 2.04 N ATOM 364 CA GLU A 21 -8.438 -6.826 -5.703 1.00 11.10 C ATOM 365 C GLU A 21 -7.426 -7.914 -5.355 1.00 0.14 C ATOM 366 O GLU A 21 -7.658 -9.096 -5.605 1.00 51.53 O ATOM 367 CB GLU A 21 -7.972 -6.059 -6.942 1.00 71.13 C ATOM 368 CG GLU A 21 -6.761 -5.176 -6.693 1.00 3.03 C ATOM 369 CD GLU A 21 -6.428 -4.292 -7.879 1.00 72.33 C ATOM 370 OE1 GLU A 21 -7.209 -3.358 -8.159 1.00 60.14 O ATOM 371 OE2 GLU A 21 -5.389 -4.535 -8.528 1.00 54.11 O ATOM 0 H GLU A 21 -8.432 -4.935 -4.798 1.00 2.04 H new ATOM 0 HA GLU A 21 -9.396 -7.300 -5.916 1.00 11.10 H new ATOM 0 HB2 GLU A 21 -7.735 -6.772 -7.732 1.00 71.13 H new ATOM 0 HB3 GLU A 21 -8.793 -5.441 -7.306 1.00 71.13 H new ATOM 0 HG2 GLU A 21 -6.946 -4.551 -5.819 1.00 3.03 H new ATOM 0 HG3 GLU A 21 -5.901 -5.803 -6.460 1.00 3.03 H new ATOM 379 N ALA A 22 -6.302 -7.504 -4.777 1.00 11.33 N ATOM 380 CA ALA A 22 -5.254 -8.442 -4.392 1.00 70.41 C ATOM 381 C ALA A 22 -5.747 -9.405 -3.319 1.00 23.53 C ATOM 382 O ALA A 22 -5.328 -10.562 -3.269 1.00 51.10 O ATOM 383 CB ALA A 22 -4.024 -7.690 -3.905 1.00 71.05 C ATOM 0 H ALA A 22 -6.093 -6.528 -4.565 1.00 11.33 H new ATOM 0 HA ALA A 22 -4.983 -9.027 -5.271 1.00 70.41 H new ATOM 0 HB1 ALA A 22 -3.250 -8.403 -3.621 1.00 71.05 H new ATOM 0 HB2 ALA A 22 -3.651 -7.048 -4.703 1.00 71.05 H new ATOM 0 HB3 ALA A 22 -4.289 -7.079 -3.042 1.00 71.05 H new ATOM 389 N ALA A 23 -6.639 -8.922 -2.460 1.00 53.24 N ATOM 390 CA ALA A 23 -7.190 -9.741 -1.387 1.00 1.11 C ATOM 391 C ALA A 23 -8.129 -10.808 -1.939 1.00 21.21 C ATOM 392 O ALA A 23 -8.033 -11.981 -1.578 1.00 31.41 O ATOM 393 CB ALA A 23 -7.916 -8.867 -0.376 1.00 71.22 C ATOM 0 H ALA A 23 -6.996 -7.967 -2.486 1.00 53.24 H new ATOM 0 HA ALA A 23 -6.364 -10.245 -0.886 1.00 1.11 H new ATOM 0 HB1 ALA A 23 -8.322 -9.492 0.420 1.00 71.22 H new ATOM 0 HB2 ALA A 23 -7.218 -8.146 0.049 1.00 71.22 H new ATOM 0 HB3 ALA A 23 -8.729 -8.336 -0.871 1.00 71.22 H new ATOM 399 N LYS A 24 -9.038 -10.394 -2.814 1.00 51.20 N ATOM 400 CA LYS A 24 -9.996 -11.313 -3.417 1.00 24.12 C ATOM 401 C LYS A 24 -9.293 -12.305 -4.338 1.00 1.23 C ATOM 402 O LYS A 24 -9.675 -13.473 -4.418 1.00 23.25 O ATOM 403 CB LYS A 24 -11.056 -10.537 -4.201 1.00 70.32 C ATOM 404 CG LYS A 24 -10.482 -9.673 -5.311 1.00 24.55 C ATOM 405 CD LYS A 24 -11.577 -8.965 -6.090 1.00 52.12 C ATOM 406 CE LYS A 24 -11.981 -9.755 -7.325 1.00 72.12 C ATOM 407 NZ LYS A 24 -13.451 -9.989 -7.378 1.00 11.35 N ATOM 0 H LYS A 24 -9.132 -9.426 -3.122 1.00 51.20 H new ATOM 0 HA LYS A 24 -10.481 -11.869 -2.615 1.00 24.12 H new ATOM 0 HB2 LYS A 24 -11.766 -11.243 -4.632 1.00 70.32 H new ATOM 0 HB3 LYS A 24 -11.615 -9.904 -3.512 1.00 70.32 H new ATOM 0 HG2 LYS A 24 -9.803 -8.935 -4.884 1.00 24.55 H new ATOM 0 HG3 LYS A 24 -9.895 -10.293 -5.989 1.00 24.55 H new ATOM 0 HD2 LYS A 24 -12.446 -8.821 -5.449 1.00 52.12 H new ATOM 0 HD3 LYS A 24 -11.232 -7.975 -6.387 1.00 52.12 H new ATOM 0 HE2 LYS A 24 -11.667 -9.217 -8.219 1.00 72.12 H new ATOM 0 HE3 LYS A 24 -11.460 -10.713 -7.330 1.00 72.12 H new ATOM 0 HZ1 LYS A 24 -13.686 -10.531 -8.234 1.00 11.35 H new ATOM 0 HZ2 LYS A 24 -13.748 -10.525 -6.537 1.00 11.35 H new ATOM 0 HZ3 LYS A 24 -13.947 -9.075 -7.399 1.00 11.35 H new ATOM 421 N LEU A 25 -8.263 -11.833 -5.031 1.00 64.43 N ATOM 422 CA LEU A 25 -7.504 -12.679 -5.946 1.00 60.34 C ATOM 423 C LEU A 25 -6.561 -13.602 -5.181 1.00 14.44 C ATOM 424 O LEU A 25 -6.370 -14.759 -5.553 1.00 22.02 O ATOM 425 CB LEU A 25 -6.708 -11.817 -6.928 1.00 3.32 C ATOM 426 CG LEU A 25 -7.393 -11.509 -8.259 1.00 42.04 C ATOM 427 CD1 LEU A 25 -6.491 -10.657 -9.139 1.00 21.52 C ATOM 428 CD2 LEU A 25 -7.776 -12.797 -8.974 1.00 21.14 C ATOM 0 H LEU A 25 -7.934 -10.869 -4.977 1.00 64.43 H new ATOM 0 HA LEU A 25 -8.211 -13.294 -6.503 1.00 60.34 H new ATOM 0 HB2 LEU A 25 -6.468 -10.873 -6.439 1.00 3.32 H new ATOM 0 HB3 LEU A 25 -5.763 -12.318 -7.136 1.00 3.32 H new ATOM 0 HG LEU A 25 -8.304 -10.946 -8.054 1.00 42.04 H new ATOM 0 HD11 LEU A 25 -6.995 -10.448 -10.082 1.00 21.52 H new ATOM 0 HD12 LEU A 25 -6.268 -9.719 -8.631 1.00 21.52 H new ATOM 0 HD13 LEU A 25 -5.562 -11.193 -9.335 1.00 21.52 H new ATOM 0 HD21 LEU A 25 -8.262 -12.557 -9.920 1.00 21.14 H new ATOM 0 HD22 LEU A 25 -6.880 -13.387 -9.166 1.00 21.14 H new ATOM 0 HD23 LEU A 25 -8.461 -13.370 -8.349 1.00 21.14 H new ATOM 440 N LEU A 26 -5.976 -13.081 -4.107 1.00 73.14 N ATOM 441 CA LEU A 26 -5.054 -13.858 -3.286 1.00 21.52 C ATOM 442 C LEU A 26 -5.667 -15.202 -2.903 1.00 21.01 C ATOM 443 O LEU A 26 -5.040 -16.248 -3.067 1.00 60.45 O ATOM 444 CB LEU A 26 -4.682 -13.077 -2.024 1.00 44.31 C ATOM 445 CG LEU A 26 -3.354 -12.318 -2.074 1.00 32.00 C ATOM 446 CD1 LEU A 26 -3.319 -11.236 -1.005 1.00 52.04 C ATOM 447 CD2 LEU A 26 -2.185 -13.277 -1.902 1.00 75.15 C ATOM 0 H LEU A 26 -6.124 -12.125 -3.785 1.00 73.14 H new ATOM 0 HA LEU A 26 -4.153 -14.043 -3.871 1.00 21.52 H new ATOM 0 HB2 LEU A 26 -5.478 -12.363 -1.814 1.00 44.31 H new ATOM 0 HB3 LEU A 26 -4.649 -13.773 -1.186 1.00 44.31 H new ATOM 0 HG LEU A 26 -3.266 -11.841 -3.050 1.00 32.00 H new ATOM 0 HD11 LEU A 26 -2.368 -10.706 -1.055 1.00 52.04 H new ATOM 0 HD12 LEU A 26 -4.135 -10.533 -1.172 1.00 52.04 H new ATOM 0 HD13 LEU A 26 -3.429 -11.693 -0.021 1.00 52.04 H new ATOM 0 HD21 LEU A 26 -1.249 -12.720 -1.940 1.00 75.15 H new ATOM 0 HD22 LEU A 26 -2.268 -13.782 -0.940 1.00 75.15 H new ATOM 0 HD23 LEU A 26 -2.200 -14.016 -2.703 1.00 75.15 H new ATOM 459 N GLU A 27 -6.894 -15.164 -2.393 1.00 41.14 N ATOM 460 CA GLU A 27 -7.590 -16.379 -1.989 1.00 70.53 C ATOM 461 C GLU A 27 -8.468 -16.907 -3.122 1.00 13.22 C ATOM 462 O GLU A 27 -9.307 -17.782 -2.916 1.00 15.21 O ATOM 463 CB GLU A 27 -8.445 -16.115 -0.748 1.00 54.02 C ATOM 464 CG GLU A 27 -7.732 -15.305 0.321 1.00 13.33 C ATOM 465 CD GLU A 27 -8.615 -15.015 1.519 1.00 11.22 C ATOM 466 OE1 GLU A 27 -9.826 -15.311 1.448 1.00 32.24 O ATOM 467 OE2 GLU A 27 -8.095 -14.492 2.527 1.00 54.34 O ATOM 0 H GLU A 27 -7.426 -14.305 -2.250 1.00 41.14 H new ATOM 0 HA GLU A 27 -6.840 -17.134 -1.752 1.00 70.53 H new ATOM 0 HB2 GLU A 27 -9.351 -15.588 -1.047 1.00 54.02 H new ATOM 0 HB3 GLU A 27 -8.756 -17.069 -0.322 1.00 54.02 H new ATOM 0 HG2 GLU A 27 -6.845 -15.846 0.651 1.00 13.33 H new ATOM 0 HG3 GLU A 27 -7.389 -14.364 -0.109 1.00 13.33 H new ATOM 475 N GLY A 28 -8.267 -16.364 -4.320 1.00 24.35 N ATOM 476 CA GLY A 28 -9.045 -16.791 -5.467 1.00 61.41 C ATOM 477 C GLY A 28 -8.880 -18.269 -5.763 1.00 73.43 C ATOM 478 O GLY A 28 -9.654 -18.847 -6.524 1.00 40.33 O ATOM 0 H GLY A 28 -7.579 -15.636 -4.515 1.00 24.35 H new ATOM 0 HA2 GLY A 28 -10.098 -16.575 -5.288 1.00 61.41 H new ATOM 0 HA3 GLY A 28 -8.745 -16.213 -6.341 1.00 61.41 H new ATOM 482 N GLY A 29 -7.866 -18.883 -5.160 1.00 52.35 N ATOM 483 CA GLY A 29 -7.619 -20.295 -5.377 1.00 22.10 C ATOM 484 C GLY A 29 -6.153 -20.598 -5.615 1.00 11.34 C ATOM 485 O GLY A 29 -5.807 -21.373 -6.505 1.00 64.13 O ATOM 0 H GLY A 29 -7.211 -18.426 -4.525 1.00 52.35 H new ATOM 0 HA2 GLY A 29 -7.967 -20.859 -4.512 1.00 22.10 H new ATOM 0 HA3 GLY A 29 -8.201 -20.635 -6.234 1.00 22.10 H new ATOM 489 N GLY A 30 -5.286 -19.983 -4.815 1.00 11.40 N ATOM 490 CA GLY A 30 -3.859 -20.201 -4.960 1.00 20.24 C ATOM 491 C GLY A 30 -3.258 -20.919 -3.767 1.00 34.22 C ATOM 492 O GLY A 30 -3.109 -22.140 -3.780 1.00 22.13 O ATOM 0 H GLY A 30 -5.547 -19.338 -4.069 1.00 11.40 H new ATOM 0 HA2 GLY A 30 -3.673 -20.784 -5.862 1.00 20.24 H new ATOM 0 HA3 GLY A 30 -3.359 -19.241 -5.092 1.00 20.24 H new ATOM 496 N GLY A 31 -2.912 -20.159 -2.732 1.00 72.23 N ATOM 497 CA GLY A 31 -2.328 -20.747 -1.542 1.00 3.12 C ATOM 498 C GLY A 31 -1.596 -19.727 -0.691 1.00 23.44 C ATOM 499 O GLY A 31 -1.361 -18.601 -1.125 1.00 54.40 O ATOM 0 H GLY A 31 -3.026 -19.146 -2.697 1.00 72.23 H new ATOM 0 HA2 GLY A 31 -3.114 -21.214 -0.948 1.00 3.12 H new ATOM 0 HA3 GLY A 31 -1.636 -21.537 -1.833 1.00 3.12 H new ATOM 503 N GLY A 32 -1.237 -20.124 0.526 1.00 12.25 N ATOM 504 CA GLY A 32 -0.534 -19.224 1.422 1.00 0.31 C ATOM 505 C GLY A 32 0.219 -19.961 2.512 1.00 44.42 C ATOM 506 O GLY A 32 0.011 -21.156 2.720 1.00 25.00 O ATOM 0 H GLY A 32 -1.420 -21.052 0.907 1.00 12.25 H new ATOM 0 HA2 GLY A 32 0.166 -18.618 0.847 1.00 0.31 H new ATOM 0 HA3 GLY A 32 -1.249 -18.539 1.878 1.00 0.31 H new ATOM 510 N GLY A 33 1.098 -19.248 3.208 1.00 33.23 N ATOM 511 CA GLY A 33 1.872 -19.859 4.273 1.00 12.03 C ATOM 512 C GLY A 33 1.500 -19.324 5.641 1.00 30.32 C ATOM 513 O GLY A 33 1.666 -18.137 5.918 1.00 14.44 O ATOM 0 H GLY A 33 1.288 -18.258 3.054 1.00 33.23 H new ATOM 0 HA2 GLY A 33 1.720 -20.938 4.255 1.00 12.03 H new ATOM 0 HA3 GLY A 33 2.933 -19.683 4.094 1.00 12.03 H new ATOM 517 N GLY A 34 0.993 -20.203 6.501 1.00 33.31 N ATOM 518 CA GLY A 34 0.601 -19.793 7.837 1.00 4.14 C ATOM 519 C GLY A 34 -0.480 -18.731 7.825 1.00 24.12 C ATOM 520 O GLY A 34 -1.536 -18.918 7.221 1.00 30.43 O ATOM 0 H GLY A 34 0.847 -21.191 6.296 1.00 33.31 H new ATOM 0 HA2 GLY A 34 0.246 -20.662 8.391 1.00 4.14 H new ATOM 0 HA3 GLY A 34 1.474 -19.412 8.367 1.00 4.14 H new ATOM 524 N GLY A 35 -0.219 -17.613 8.495 1.00 3.30 N ATOM 525 CA GLY A 35 -1.188 -16.536 8.547 1.00 33.21 C ATOM 526 C GLY A 35 -0.536 -15.173 8.677 1.00 64.31 C ATOM 527 O GLY A 35 -0.630 -14.345 7.773 1.00 61.24 O ATOM 0 H GLY A 35 0.647 -17.435 9.003 1.00 3.30 H new ATOM 0 HA2 GLY A 35 -1.799 -16.558 7.645 1.00 33.21 H new ATOM 0 HA3 GLY A 35 -1.859 -16.696 9.391 1.00 33.21 H new ATOM 531 N GLU A 36 0.127 -14.942 9.806 1.00 11.31 N ATOM 532 CA GLU A 36 0.795 -13.669 10.052 1.00 43.43 C ATOM 533 C GLU A 36 1.739 -13.320 8.903 1.00 34.43 C ATOM 534 O GLU A 36 1.901 -12.151 8.552 1.00 61.32 O ATOM 535 CB GLU A 36 1.573 -13.721 11.367 1.00 24.12 C ATOM 536 CG GLU A 36 2.407 -12.479 11.631 1.00 15.12 C ATOM 537 CD GLU A 36 2.836 -12.361 13.082 1.00 64.42 C ATOM 538 OE1 GLU A 36 3.016 -11.220 13.556 1.00 72.44 O ATOM 539 OE2 GLU A 36 2.992 -13.410 13.741 1.00 24.21 O ATOM 0 H GLU A 36 0.216 -15.619 10.564 1.00 11.31 H new ATOM 0 HA GLU A 36 0.031 -12.894 10.121 1.00 43.43 H new ATOM 0 HB2 GLU A 36 0.871 -13.858 12.189 1.00 24.12 H new ATOM 0 HB3 GLU A 36 2.228 -14.593 11.358 1.00 24.12 H new ATOM 0 HG2 GLU A 36 3.292 -12.498 10.995 1.00 15.12 H new ATOM 0 HG3 GLU A 36 1.833 -11.595 11.353 1.00 15.12 H new ATOM 547 N LEU A 37 2.358 -14.342 8.324 1.00 1.31 N ATOM 548 CA LEU A 37 3.287 -14.146 7.216 1.00 51.40 C ATOM 549 C LEU A 37 2.625 -13.366 6.083 1.00 0.24 C ATOM 550 O LEU A 37 3.101 -12.302 5.689 1.00 12.24 O ATOM 551 CB LEU A 37 3.786 -15.495 6.697 1.00 23.02 C ATOM 552 CG LEU A 37 4.808 -15.441 5.560 1.00 34.51 C ATOM 553 CD1 LEU A 37 6.223 -15.410 6.115 1.00 14.12 C ATOM 554 CD2 LEU A 37 4.625 -16.626 4.623 1.00 30.14 C ATOM 0 H LEU A 37 2.234 -15.315 8.603 1.00 1.31 H new ATOM 0 HA LEU A 37 4.136 -13.569 7.584 1.00 51.40 H new ATOM 0 HB2 LEU A 37 4.228 -16.041 7.530 1.00 23.02 H new ATOM 0 HB3 LEU A 37 2.926 -16.072 6.358 1.00 23.02 H new ATOM 0 HG LEU A 37 4.644 -14.525 4.992 1.00 34.51 H new ATOM 0 HD11 LEU A 37 6.936 -15.372 5.291 1.00 14.12 H new ATOM 0 HD12 LEU A 37 6.348 -14.529 6.744 1.00 14.12 H new ATOM 0 HD13 LEU A 37 6.401 -16.307 6.708 1.00 14.12 H new ATOM 0 HD21 LEU A 37 5.360 -16.572 3.820 1.00 30.14 H new ATOM 0 HD22 LEU A 37 4.762 -17.554 5.179 1.00 30.14 H new ATOM 0 HD23 LEU A 37 3.621 -16.602 4.198 1.00 30.14 H new ATOM 566 N MET A 38 1.526 -13.903 5.566 1.00 50.04 N ATOM 567 CA MET A 38 0.797 -13.255 4.481 1.00 63.53 C ATOM 568 C MET A 38 0.086 -12.001 4.977 1.00 40.10 C ATOM 569 O MET A 38 -0.152 -11.065 4.212 1.00 25.11 O ATOM 570 CB MET A 38 -0.218 -14.224 3.871 1.00 34.43 C ATOM 571 CG MET A 38 -1.100 -13.590 2.808 1.00 43.24 C ATOM 572 SD MET A 38 -1.634 -14.771 1.553 1.00 52.22 S ATOM 573 CE MET A 38 -0.095 -15.058 0.682 1.00 61.31 C ATOM 0 H MET A 38 1.120 -14.785 5.880 1.00 50.04 H new ATOM 0 HA MET A 38 1.516 -12.964 3.716 1.00 63.53 H new ATOM 0 HB2 MET A 38 0.315 -15.068 3.433 1.00 34.43 H new ATOM 0 HB3 MET A 38 -0.849 -14.623 4.665 1.00 34.43 H new ATOM 0 HG2 MET A 38 -1.977 -13.150 3.284 1.00 43.24 H new ATOM 0 HG3 MET A 38 -0.556 -12.777 2.328 1.00 43.24 H new ATOM 0 HE1 MET A 38 -0.308 -15.431 -0.320 1.00 61.31 H new ATOM 0 HE2 MET A 38 0.462 -14.124 0.610 1.00 61.31 H new ATOM 0 HE3 MET A 38 0.499 -15.794 1.225 1.00 61.31 H new ATOM 583 N LYS A 39 -0.253 -11.986 6.262 1.00 41.43 N ATOM 584 CA LYS A 39 -0.936 -10.846 6.860 1.00 1.33 C ATOM 585 C LYS A 39 -0.153 -9.558 6.626 1.00 53.53 C ATOM 586 O LYS A 39 -0.731 -8.471 6.562 1.00 4.35 O ATOM 587 CB LYS A 39 -1.128 -11.072 8.362 1.00 55.11 C ATOM 588 CG LYS A 39 -2.418 -10.481 8.906 1.00 42.54 C ATOM 589 CD LYS A 39 -2.532 -10.676 10.408 1.00 25.03 C ATOM 590 CE LYS A 39 -3.960 -10.994 10.821 1.00 34.54 C ATOM 591 NZ LYS A 39 -4.372 -10.224 12.028 1.00 72.42 N ATOM 0 H LYS A 39 -0.065 -12.752 6.909 1.00 41.43 H new ATOM 0 HA LYS A 39 -1.912 -10.749 6.385 1.00 1.33 H new ATOM 0 HB2 LYS A 39 -1.115 -12.143 8.564 1.00 55.11 H new ATOM 0 HB3 LYS A 39 -0.284 -10.636 8.897 1.00 55.11 H new ATOM 0 HG2 LYS A 39 -2.458 -9.417 8.672 1.00 42.54 H new ATOM 0 HG3 LYS A 39 -3.270 -10.948 8.412 1.00 42.54 H new ATOM 0 HD2 LYS A 39 -1.872 -11.485 10.722 1.00 25.03 H new ATOM 0 HD3 LYS A 39 -2.196 -9.774 10.920 1.00 25.03 H new ATOM 0 HE2 LYS A 39 -4.636 -10.766 9.997 1.00 34.54 H new ATOM 0 HE3 LYS A 39 -4.051 -12.061 11.022 1.00 34.54 H new ATOM 0 HZ1 LYS A 39 -5.351 -10.468 12.278 1.00 72.42 H new ATOM 0 HZ2 LYS A 39 -3.743 -10.460 12.822 1.00 72.42 H new ATOM 0 HZ3 LYS A 39 -4.310 -9.205 11.828 1.00 72.42 H new ATOM 605 N LEU A 40 1.163 -9.686 6.497 1.00 14.13 N ATOM 606 CA LEU A 40 2.026 -8.532 6.268 1.00 54.23 C ATOM 607 C LEU A 40 1.561 -7.739 5.051 1.00 15.31 C ATOM 608 O LEU A 40 1.535 -6.508 5.074 1.00 45.35 O ATOM 609 CB LEU A 40 3.475 -8.983 6.075 1.00 71.53 C ATOM 610 CG LEU A 40 4.359 -8.950 7.321 1.00 2.44 C ATOM 611 CD1 LEU A 40 5.727 -9.543 7.020 1.00 22.32 C ATOM 612 CD2 LEU A 40 4.496 -7.527 7.841 1.00 75.22 C ATOM 0 H LEU A 40 1.656 -10.578 6.547 1.00 14.13 H new ATOM 0 HA LEU A 40 1.968 -7.886 7.144 1.00 54.23 H new ATOM 0 HB2 LEU A 40 3.469 -10.001 5.685 1.00 71.53 H new ATOM 0 HB3 LEU A 40 3.932 -8.352 5.313 1.00 71.53 H new ATOM 0 HG LEU A 40 3.885 -9.554 8.095 1.00 2.44 H new ATOM 0 HD11 LEU A 40 6.343 -9.511 7.919 1.00 22.32 H new ATOM 0 HD12 LEU A 40 5.612 -10.577 6.695 1.00 22.32 H new ATOM 0 HD13 LEU A 40 6.208 -8.966 6.230 1.00 22.32 H new ATOM 0 HD21 LEU A 40 5.129 -7.523 8.728 1.00 75.22 H new ATOM 0 HD22 LEU A 40 4.947 -6.900 7.071 1.00 75.22 H new ATOM 0 HD23 LEU A 40 3.511 -7.136 8.096 1.00 75.22 H new ATOM 624 N CYS A 41 1.195 -8.452 3.992 1.00 51.14 N ATOM 625 CA CYS A 41 0.729 -7.814 2.765 1.00 40.30 C ATOM 626 C CYS A 41 -0.689 -7.278 2.935 1.00 61.11 C ATOM 627 O CYS A 41 -1.008 -6.183 2.472 1.00 2.25 O ATOM 628 CB CYS A 41 0.777 -8.804 1.601 1.00 24.43 C ATOM 629 SG CYS A 41 2.324 -9.735 1.486 1.00 12.11 S ATOM 0 H CYS A 41 1.212 -9.471 3.958 1.00 51.14 H new ATOM 0 HA CYS A 41 1.391 -6.976 2.547 1.00 40.30 H new ATOM 0 HB2 CYS A 41 -0.051 -9.506 1.701 1.00 24.43 H new ATOM 0 HB3 CYS A 41 0.623 -8.260 0.669 1.00 24.43 H new ATOM 0 HG CYS A 41 2.579 -10.001 0.239 1.00 12.11 H new ATOM 635 N GLU A 42 -1.535 -8.059 3.599 1.00 75.10 N ATOM 636 CA GLU A 42 -2.920 -7.663 3.826 1.00 3.22 C ATOM 637 C GLU A 42 -2.991 -6.307 4.523 1.00 11.41 C ATOM 638 O GLU A 42 -3.985 -5.591 4.408 1.00 40.31 O ATOM 639 CB GLU A 42 -3.644 -8.717 4.666 1.00 61.55 C ATOM 640 CG GLU A 42 -5.096 -8.920 4.268 1.00 55.34 C ATOM 641 CD GLU A 42 -5.371 -10.319 3.754 1.00 22.33 C ATOM 642 OE1 GLU A 42 -5.810 -11.170 4.557 1.00 20.21 O ATOM 643 OE2 GLU A 42 -5.147 -10.564 2.551 1.00 23.52 O ATOM 0 H GLU A 42 -1.286 -8.968 3.989 1.00 75.10 H new ATOM 0 HA GLU A 42 -3.411 -7.581 2.856 1.00 3.22 H new ATOM 0 HB2 GLU A 42 -3.116 -9.666 4.577 1.00 61.55 H new ATOM 0 HB3 GLU A 42 -3.601 -8.425 5.715 1.00 61.55 H new ATOM 0 HG2 GLU A 42 -5.735 -8.721 5.128 1.00 55.34 H new ATOM 0 HG3 GLU A 42 -5.362 -8.196 3.498 1.00 55.34 H new ATOM 651 N GLU A 43 -1.928 -5.963 5.245 1.00 72.15 N ATOM 652 CA GLU A 43 -1.871 -4.693 5.960 1.00 20.12 C ATOM 653 C GLU A 43 -2.135 -3.524 5.016 1.00 34.10 C ATOM 654 O GLU A 43 -2.573 -2.456 5.442 1.00 30.03 O ATOM 655 CB GLU A 43 -0.507 -4.523 6.633 1.00 21.41 C ATOM 656 CG GLU A 43 -0.261 -5.503 7.768 1.00 64.45 C ATOM 657 CD GLU A 43 -0.337 -4.846 9.132 1.00 70.42 C ATOM 658 OE1 GLU A 43 0.538 -4.010 9.437 1.00 13.52 O ATOM 659 OE2 GLU A 43 -1.271 -5.169 9.896 1.00 72.32 O ATOM 0 H GLU A 43 -1.097 -6.545 5.350 1.00 72.15 H new ATOM 0 HA GLU A 43 -2.647 -4.701 6.725 1.00 20.12 H new ATOM 0 HB2 GLU A 43 0.276 -4.644 5.884 1.00 21.41 H new ATOM 0 HB3 GLU A 43 -0.426 -3.507 7.018 1.00 21.41 H new ATOM 0 HG2 GLU A 43 -0.995 -6.307 7.715 1.00 64.45 H new ATOM 0 HG3 GLU A 43 0.721 -5.959 7.643 1.00 64.45 H new ATOM 667 N ALA A 44 -1.863 -3.735 3.733 1.00 52.14 N ATOM 668 CA ALA A 44 -2.072 -2.699 2.727 1.00 20.55 C ATOM 669 C ALA A 44 -3.479 -2.120 2.820 1.00 32.40 C ATOM 670 O ALA A 44 -3.667 -0.905 2.757 1.00 24.24 O ATOM 671 CB ALA A 44 -1.819 -3.258 1.335 1.00 52.12 C ATOM 0 H ALA A 44 -1.498 -4.613 3.365 1.00 52.14 H new ATOM 0 HA ALA A 44 -1.363 -1.893 2.917 1.00 20.55 H new ATOM 0 HB1 ALA A 44 -1.978 -2.475 0.594 1.00 52.12 H new ATOM 0 HB2 ALA A 44 -0.792 -3.617 1.268 1.00 52.12 H new ATOM 0 HB3 ALA A 44 -2.505 -4.083 1.144 1.00 52.12 H new ATOM 677 N ALA A 45 -4.467 -2.998 2.970 1.00 31.10 N ATOM 678 CA ALA A 45 -5.857 -2.573 3.073 1.00 51.53 C ATOM 679 C ALA A 45 -6.150 -1.977 4.445 1.00 13.33 C ATOM 680 O ALA A 45 -7.090 -1.198 4.609 1.00 64.33 O ATOM 681 CB ALA A 45 -6.789 -3.743 2.794 1.00 24.53 C ATOM 0 H ALA A 45 -4.329 -4.007 3.023 1.00 31.10 H new ATOM 0 HA ALA A 45 -6.030 -1.798 2.326 1.00 51.53 H new ATOM 0 HB1 ALA A 45 -7.824 -3.411 2.874 1.00 24.53 H new ATOM 0 HB2 ALA A 45 -6.607 -4.122 1.788 1.00 24.53 H new ATOM 0 HB3 ALA A 45 -6.605 -4.536 3.519 1.00 24.53 H new ATOM 687 N LYS A 46 -5.338 -2.347 5.431 1.00 75.15 N ATOM 688 CA LYS A 46 -5.509 -1.849 6.791 1.00 40.13 C ATOM 689 C LYS A 46 -5.002 -0.415 6.912 1.00 13.31 C ATOM 690 O LYS A 46 -5.699 0.460 7.427 1.00 61.55 O ATOM 691 CB LYS A 46 -4.767 -2.749 7.782 1.00 54.31 C ATOM 692 CG LYS A 46 -5.685 -3.459 8.762 1.00 41.55 C ATOM 693 CD LYS A 46 -4.951 -4.555 9.517 1.00 74.34 C ATOM 694 CE LYS A 46 -5.835 -5.183 10.584 1.00 15.14 C ATOM 695 NZ LYS A 46 -7.044 -5.824 9.998 1.00 23.34 N ATOM 0 H LYS A 46 -4.555 -2.990 5.313 1.00 75.15 H new ATOM 0 HA LYS A 46 -6.573 -1.861 7.025 1.00 40.13 H new ATOM 0 HB2 LYS A 46 -4.196 -3.493 7.227 1.00 54.31 H new ATOM 0 HB3 LYS A 46 -4.049 -2.147 8.340 1.00 54.31 H new ATOM 0 HG2 LYS A 46 -6.091 -2.737 9.470 1.00 41.55 H new ATOM 0 HG3 LYS A 46 -6.530 -3.889 8.225 1.00 41.55 H new ATOM 0 HD2 LYS A 46 -4.622 -5.323 8.817 1.00 74.34 H new ATOM 0 HD3 LYS A 46 -4.056 -4.142 9.981 1.00 74.34 H new ATOM 0 HE2 LYS A 46 -5.262 -5.927 11.138 1.00 15.14 H new ATOM 0 HE3 LYS A 46 -6.140 -4.419 11.299 1.00 15.14 H new ATOM 0 HZ1 LYS A 46 -7.539 -6.368 10.733 1.00 23.34 H new ATOM 0 HZ2 LYS A 46 -7.679 -5.090 9.624 1.00 23.34 H new ATOM 0 HZ3 LYS A 46 -6.760 -6.462 9.227 1.00 23.34 H new ATOM 709 N LYS A 47 -3.785 -0.180 6.434 1.00 53.15 N ATOM 710 CA LYS A 47 -3.186 1.149 6.486 1.00 10.30 C ATOM 711 C LYS A 47 -3.886 2.100 5.521 1.00 70.05 C ATOM 712 O LYS A 47 -3.903 3.312 5.732 1.00 74.12 O ATOM 713 CB LYS A 47 -1.695 1.071 6.150 1.00 14.02 C ATOM 714 CG LYS A 47 -0.891 0.246 7.140 1.00 62.03 C ATOM 715 CD LYS A 47 -0.286 1.115 8.229 1.00 60.40 C ATOM 716 CE LYS A 47 -0.514 0.518 9.609 1.00 70.40 C ATOM 717 NZ LYS A 47 0.351 -0.670 9.850 1.00 3.11 N ATOM 0 H LYS A 47 -3.194 -0.892 6.006 1.00 53.15 H new ATOM 0 HA LYS A 47 -3.305 1.535 7.498 1.00 10.30 H new ATOM 0 HB2 LYS A 47 -1.577 0.644 5.154 1.00 14.02 H new ATOM 0 HB3 LYS A 47 -1.286 2.081 6.114 1.00 14.02 H new ATOM 0 HG2 LYS A 47 -1.534 -0.510 7.592 1.00 62.03 H new ATOM 0 HG3 LYS A 47 -0.097 -0.284 6.613 1.00 62.03 H new ATOM 0 HD2 LYS A 47 0.784 1.229 8.053 1.00 60.40 H new ATOM 0 HD3 LYS A 47 -0.724 2.112 8.186 1.00 60.40 H new ATOM 0 HE2 LYS A 47 -0.313 1.273 10.369 1.00 70.40 H new ATOM 0 HE3 LYS A 47 -1.561 0.232 9.712 1.00 70.40 H new ATOM 0 HZ1 LYS A 47 0.165 -1.047 10.801 1.00 3.11 H new ATOM 0 HZ2 LYS A 47 0.142 -1.401 9.141 1.00 3.11 H new ATOM 0 HZ3 LYS A 47 1.351 -0.392 9.777 1.00 3.11 H new ATOM 731 N ALA A 48 -4.464 1.542 4.461 1.00 11.42 N ATOM 732 CA ALA A 48 -5.168 2.341 3.467 1.00 50.24 C ATOM 733 C ALA A 48 -6.439 2.950 4.051 1.00 1.50 C ATOM 734 O ALA A 48 -6.675 4.151 3.925 1.00 33.31 O ATOM 735 CB ALA A 48 -5.500 1.493 2.247 1.00 21.51 C ATOM 0 H ALA A 48 -4.458 0.540 4.270 1.00 11.42 H new ATOM 0 HA ALA A 48 -4.512 3.157 3.162 1.00 50.24 H new ATOM 0 HB1 ALA A 48 -6.026 2.103 1.512 1.00 21.51 H new ATOM 0 HB2 ALA A 48 -4.579 1.110 1.808 1.00 21.51 H new ATOM 0 HB3 ALA A 48 -6.134 0.658 2.546 1.00 21.51 H new ATOM 741 N GLU A 49 -7.252 2.113 4.688 1.00 52.41 N ATOM 742 CA GLU A 49 -8.498 2.572 5.290 1.00 53.22 C ATOM 743 C GLU A 49 -8.233 3.292 6.609 1.00 30.42 C ATOM 744 O GLU A 49 -9.000 4.164 7.016 1.00 41.12 O ATOM 745 CB GLU A 49 -9.443 1.390 5.521 1.00 14.43 C ATOM 746 CG GLU A 49 -10.905 1.724 5.280 1.00 51.23 C ATOM 747 CD GLU A 49 -11.748 0.492 5.012 1.00 14.24 C ATOM 748 OE1 GLU A 49 -11.913 0.134 3.828 1.00 62.12 O ATOM 749 OE2 GLU A 49 -12.243 -0.112 5.986 1.00 34.23 O ATOM 0 H GLU A 49 -7.071 1.116 4.800 1.00 52.41 H new ATOM 0 HA GLU A 49 -8.968 3.275 4.602 1.00 53.22 H new ATOM 0 HB2 GLU A 49 -9.153 0.570 4.864 1.00 14.43 H new ATOM 0 HB3 GLU A 49 -9.324 1.035 6.545 1.00 14.43 H new ATOM 0 HG2 GLU A 49 -11.302 2.249 6.149 1.00 51.23 H new ATOM 0 HG3 GLU A 49 -10.983 2.405 4.432 1.00 51.23 H new ATOM 757 N GLU A 50 -7.143 2.919 7.272 1.00 42.23 N ATOM 758 CA GLU A 50 -6.778 3.527 8.545 1.00 14.31 C ATOM 759 C GLU A 50 -6.403 4.995 8.359 1.00 41.15 C ATOM 760 O GLU A 50 -6.920 5.872 9.053 1.00 43.30 O ATOM 761 CB GLU A 50 -5.612 2.770 9.183 1.00 34.51 C ATOM 762 CG GLU A 50 -5.052 3.445 10.423 1.00 61.22 C ATOM 763 CD GLU A 50 -4.069 2.567 11.173 1.00 43.12 C ATOM 764 OE1 GLU A 50 -4.069 1.341 10.935 1.00 12.20 O ATOM 765 OE2 GLU A 50 -3.299 3.105 11.995 1.00 14.43 O ATOM 0 H GLU A 50 -6.498 2.199 6.948 1.00 42.23 H new ATOM 0 HA GLU A 50 -7.643 3.470 9.206 1.00 14.31 H new ATOM 0 HB2 GLU A 50 -5.943 1.765 9.445 1.00 34.51 H new ATOM 0 HB3 GLU A 50 -4.815 2.662 8.448 1.00 34.51 H new ATOM 0 HG2 GLU A 50 -4.558 4.373 10.135 1.00 61.22 H new ATOM 0 HG3 GLU A 50 -5.873 3.714 11.087 1.00 61.22 H new ATOM 773 N LEU A 51 -5.503 5.255 7.418 1.00 25.43 N ATOM 774 CA LEU A 51 -5.057 6.616 7.140 1.00 64.23 C ATOM 775 C LEU A 51 -6.140 7.405 6.411 1.00 5.02 C ATOM 776 O LEU A 51 -6.309 8.603 6.637 1.00 22.52 O ATOM 777 CB LEU A 51 -3.776 6.594 6.304 1.00 65.53 C ATOM 778 CG LEU A 51 -3.951 6.299 4.814 1.00 55.05 C ATOM 779 CD1 LEU A 51 -4.157 7.589 4.036 1.00 73.23 C ATOM 780 CD2 LEU A 51 -2.751 5.535 4.276 1.00 44.23 C ATOM 0 H LEU A 51 -5.067 4.541 6.834 1.00 25.43 H new ATOM 0 HA LEU A 51 -4.853 7.107 8.092 1.00 64.23 H new ATOM 0 HB2 LEU A 51 -3.282 7.560 6.407 1.00 65.53 H new ATOM 0 HB3 LEU A 51 -3.104 5.846 6.725 1.00 65.53 H new ATOM 0 HG LEU A 51 -4.837 5.677 4.688 1.00 55.05 H new ATOM 0 HD11 LEU A 51 -4.280 7.360 2.977 1.00 73.23 H new ATOM 0 HD12 LEU A 51 -5.049 8.097 4.403 1.00 73.23 H new ATOM 0 HD13 LEU A 51 -3.290 8.236 4.169 1.00 73.23 H new ATOM 0 HD21 LEU A 51 -2.894 5.334 3.214 1.00 44.23 H new ATOM 0 HD22 LEU A 51 -1.849 6.130 4.415 1.00 44.23 H new ATOM 0 HD23 LEU A 51 -2.649 4.592 4.813 1.00 44.23 H new ATOM 792 N PHE A 52 -6.872 6.724 5.535 1.00 64.42 N ATOM 793 CA PHE A 52 -7.940 7.361 4.773 1.00 32.22 C ATOM 794 C PHE A 52 -9.052 7.848 5.698 1.00 4.10 C ATOM 795 O PHE A 52 -9.797 8.768 5.360 1.00 62.30 O ATOM 796 CB PHE A 52 -8.511 6.385 3.741 1.00 4.41 C ATOM 797 CG PHE A 52 -9.747 6.893 3.055 1.00 24.22 C ATOM 798 CD1 PHE A 52 -9.657 7.852 2.060 1.00 73.15 C ATOM 799 CD2 PHE A 52 -10.997 6.411 3.406 1.00 61.04 C ATOM 800 CE1 PHE A 52 -10.794 8.322 1.428 1.00 61.21 C ATOM 801 CE2 PHE A 52 -12.137 6.876 2.778 1.00 41.04 C ATOM 802 CZ PHE A 52 -12.035 7.832 1.786 1.00 11.10 C ATOM 0 H PHE A 52 -6.745 5.732 5.335 1.00 64.42 H new ATOM 0 HA PHE A 52 -7.519 8.222 4.255 1.00 32.22 H new ATOM 0 HB2 PHE A 52 -7.749 6.175 2.991 1.00 4.41 H new ATOM 0 HB3 PHE A 52 -8.741 5.441 4.234 1.00 4.41 H new ATOM 0 HD1 PHE A 52 -8.689 8.237 1.775 1.00 73.15 H new ATOM 0 HD2 PHE A 52 -11.082 5.663 4.180 1.00 61.04 H new ATOM 0 HE1 PHE A 52 -10.712 9.072 0.655 1.00 61.21 H new ATOM 0 HE2 PHE A 52 -13.106 6.493 3.062 1.00 41.04 H new ATOM 0 HZ PHE A 52 -12.924 8.196 1.291 1.00 11.10 H new ATOM 812 N LYS A 53 -9.158 7.225 6.866 1.00 24.10 N ATOM 813 CA LYS A 53 -10.177 7.593 7.841 1.00 25.13 C ATOM 814 C LYS A 53 -9.937 9.003 8.372 1.00 21.04 C ATOM 815 O LYS A 53 -10.790 9.881 8.240 1.00 22.14 O ATOM 816 CB LYS A 53 -10.188 6.594 9.001 1.00 63.23 C ATOM 817 CG LYS A 53 -11.582 6.151 9.409 1.00 1.42 C ATOM 818 CD LYS A 53 -11.980 4.857 8.720 1.00 54.03 C ATOM 819 CE LYS A 53 -13.149 4.188 9.426 1.00 71.54 C ATOM 820 NZ LYS A 53 -14.421 4.349 8.668 1.00 22.00 N ATOM 0 H LYS A 53 -8.549 6.461 7.161 1.00 24.10 H new ATOM 0 HA LYS A 53 -11.146 7.571 7.343 1.00 25.13 H new ATOM 0 HB2 LYS A 53 -9.605 5.717 8.720 1.00 63.23 H new ATOM 0 HB3 LYS A 53 -9.692 7.044 9.861 1.00 63.23 H new ATOM 0 HG2 LYS A 53 -11.620 6.015 10.490 1.00 1.42 H new ATOM 0 HG3 LYS A 53 -12.300 6.932 9.161 1.00 1.42 H new ATOM 0 HD2 LYS A 53 -12.249 5.063 7.684 1.00 54.03 H new ATOM 0 HD3 LYS A 53 -11.128 4.177 8.700 1.00 54.03 H new ATOM 0 HE2 LYS A 53 -12.936 3.127 9.556 1.00 71.54 H new ATOM 0 HE3 LYS A 53 -13.264 4.615 10.422 1.00 71.54 H new ATOM 0 HZ1 LYS A 53 -15.193 3.879 9.182 1.00 22.00 H new ATOM 0 HZ2 LYS A 53 -14.638 5.361 8.566 1.00 22.00 H new ATOM 0 HZ3 LYS A 53 -14.321 3.919 7.726 1.00 22.00 H new ATOM 834 N LEU A 54 -8.770 9.213 8.973 1.00 5.41 N ATOM 835 CA LEU A 54 -8.416 10.516 9.523 1.00 14.20 C ATOM 836 C LEU A 54 -8.049 11.495 8.412 1.00 11.34 C ATOM 837 O LEU A 54 -8.153 12.710 8.581 1.00 61.31 O ATOM 838 CB LEU A 54 -7.251 10.379 10.504 1.00 3.35 C ATOM 839 CG LEU A 54 -7.616 9.944 11.923 1.00 64.21 C ATOM 840 CD1 LEU A 54 -8.550 10.956 12.569 1.00 71.25 C ATOM 841 CD2 LEU A 54 -8.251 8.561 11.911 1.00 61.45 C ATOM 0 H LEU A 54 -8.053 8.497 9.091 1.00 5.41 H new ATOM 0 HA LEU A 54 -9.284 10.907 10.053 1.00 14.20 H new ATOM 0 HB2 LEU A 54 -6.542 9.659 10.096 1.00 3.35 H new ATOM 0 HB3 LEU A 54 -6.735 11.338 10.561 1.00 3.35 H new ATOM 0 HG LEU A 54 -6.701 9.896 12.514 1.00 64.21 H new ATOM 0 HD11 LEU A 54 -8.799 10.629 13.579 1.00 71.25 H new ATOM 0 HD12 LEU A 54 -8.059 11.928 12.613 1.00 71.25 H new ATOM 0 HD13 LEU A 54 -9.463 11.037 11.979 1.00 71.25 H new ATOM 0 HD21 LEU A 54 -8.504 8.268 12.930 1.00 61.45 H new ATOM 0 HD22 LEU A 54 -9.156 8.581 11.304 1.00 61.45 H new ATOM 0 HD23 LEU A 54 -7.548 7.842 11.491 1.00 61.45 H new ATOM 853 N ALA A 55 -7.619 10.956 7.275 1.00 55.32 N ATOM 854 CA ALA A 55 -7.239 11.782 6.135 1.00 72.45 C ATOM 855 C ALA A 55 -8.378 12.711 5.727 1.00 21.12 C ATOM 856 O ALA A 55 -8.149 13.764 5.132 1.00 10.03 O ATOM 857 CB ALA A 55 -6.827 10.905 4.962 1.00 3.22 C ATOM 0 H ALA A 55 -7.525 9.952 7.119 1.00 55.32 H new ATOM 0 HA ALA A 55 -6.390 12.398 6.431 1.00 72.45 H new ATOM 0 HB1 ALA A 55 -6.546 11.535 4.118 1.00 3.22 H new ATOM 0 HB2 ALA A 55 -5.978 10.286 5.251 1.00 3.22 H new ATOM 0 HB3 ALA A 55 -7.662 10.265 4.675 1.00 3.22 H new ATOM 863 N GLU A 56 -9.605 12.314 6.050 1.00 45.23 N ATOM 864 CA GLU A 56 -10.779 13.111 5.715 1.00 52.52 C ATOM 865 C GLU A 56 -10.923 14.293 6.669 1.00 35.10 C ATOM 866 O GLU A 56 -11.469 15.335 6.305 1.00 33.43 O ATOM 867 CB GLU A 56 -12.041 12.248 5.760 1.00 32.04 C ATOM 868 CG GLU A 56 -11.830 10.835 5.242 1.00 4.02 C ATOM 869 CD GLU A 56 -13.111 10.201 4.736 1.00 34.11 C ATOM 870 OE1 GLU A 56 -13.849 10.875 3.987 1.00 62.24 O ATOM 871 OE2 GLU A 56 -13.376 9.034 5.090 1.00 60.30 O ATOM 0 H GLU A 56 -9.812 11.445 6.543 1.00 45.23 H new ATOM 0 HA GLU A 56 -10.648 13.495 4.703 1.00 52.52 H new ATOM 0 HB2 GLU A 56 -12.401 12.199 6.788 1.00 32.04 H new ATOM 0 HB3 GLU A 56 -12.822 12.729 5.171 1.00 32.04 H new ATOM 0 HG2 GLU A 56 -11.096 10.853 4.437 1.00 4.02 H new ATOM 0 HG3 GLU A 56 -11.414 10.218 6.039 1.00 4.02 H new ATOM 879 N GLU A 57 -10.431 14.123 7.893 1.00 50.23 N ATOM 880 CA GLU A 57 -10.507 15.175 8.899 1.00 34.32 C ATOM 881 C GLU A 57 -9.672 16.384 8.488 1.00 24.22 C ATOM 882 O GLU A 57 -10.110 17.527 8.615 1.00 31.10 O ATOM 883 CB GLU A 57 -10.031 14.649 10.255 1.00 32.45 C ATOM 884 CG GLU A 57 -10.215 15.640 11.391 1.00 2.44 C ATOM 885 CD GLU A 57 -8.995 15.735 12.287 1.00 25.51 C ATOM 886 OE1 GLU A 57 -8.253 14.734 12.384 1.00 63.13 O ATOM 887 OE2 GLU A 57 -8.783 16.806 12.891 1.00 11.53 O ATOM 0 H GLU A 57 -9.976 13.267 8.211 1.00 50.23 H new ATOM 0 HA GLU A 57 -11.548 15.487 8.983 1.00 34.32 H new ATOM 0 HB2 GLU A 57 -10.574 13.734 10.491 1.00 32.45 H new ATOM 0 HB3 GLU A 57 -8.976 14.384 10.182 1.00 32.45 H new ATOM 0 HG2 GLU A 57 -10.435 16.624 10.977 1.00 2.44 H new ATOM 0 HG3 GLU A 57 -11.078 15.346 11.989 1.00 2.44 H new ATOM 895 N ARG A 58 -8.465 16.121 7.996 1.00 71.42 N ATOM 896 CA ARG A 58 -7.567 17.186 7.567 1.00 13.31 C ATOM 897 C ARG A 58 -7.965 17.713 6.192 1.00 52.45 C ATOM 898 O ARG A 58 -7.743 18.883 5.874 1.00 34.32 O ATOM 899 CB ARG A 58 -6.123 16.682 7.534 1.00 11.11 C ATOM 900 CG ARG A 58 -5.737 15.861 8.753 1.00 42.02 C ATOM 901 CD ARG A 58 -5.149 14.517 8.355 1.00 65.30 C ATOM 902 NE ARG A 58 -5.046 13.605 9.492 1.00 11.33 N ATOM 903 CZ ARG A 58 -4.333 12.485 9.474 1.00 2.13 C ATOM 904 NH1 ARG A 58 -3.664 12.139 8.383 1.00 23.12 N ATOM 905 NH2 ARG A 58 -4.288 11.708 10.548 1.00 34.30 N ATOM 0 H ARG A 58 -8.087 15.180 7.885 1.00 71.42 H new ATOM 0 HA ARG A 58 -7.643 18.002 8.285 1.00 13.31 H new ATOM 0 HB2 ARG A 58 -5.978 16.077 6.639 1.00 11.11 H new ATOM 0 HB3 ARG A 58 -5.451 17.536 7.454 1.00 11.11 H new ATOM 0 HG2 ARG A 58 -5.012 16.414 9.351 1.00 42.02 H new ATOM 0 HG3 ARG A 58 -6.614 15.704 9.380 1.00 42.02 H new ATOM 0 HD2 ARG A 58 -5.770 14.064 7.582 1.00 65.30 H new ATOM 0 HD3 ARG A 58 -4.161 14.668 7.921 1.00 65.30 H new ATOM 0 HE ARG A 58 -5.550 13.842 10.347 1.00 11.33 H new ATOM 0 HH11 ARG A 58 -3.696 12.734 7.555 1.00 23.12 H new ATOM 0 HH12 ARG A 58 -3.117 11.278 8.372 1.00 23.12 H new ATOM 0 HH21 ARG A 58 -4.802 11.971 11.389 1.00 34.30 H new ATOM 0 HH22 ARG A 58 -3.740 10.848 10.533 1.00 34.30 H new ATOM 919 N LEU A 59 -8.553 16.843 5.378 1.00 61.21 N ATOM 920 CA LEU A 59 -8.982 17.220 4.036 1.00 62.22 C ATOM 921 C LEU A 59 -10.283 18.013 4.082 1.00 74.01 C ATOM 922 O LEU A 59 -10.322 19.186 3.711 1.00 53.15 O ATOM 923 CB LEU A 59 -9.163 15.972 3.168 1.00 33.14 C ATOM 924 CG LEU A 59 -7.955 15.559 2.328 1.00 42.22 C ATOM 925 CD1 LEU A 59 -6.682 15.610 3.160 1.00 54.14 C ATOM 926 CD2 LEU A 59 -8.159 14.166 1.749 1.00 21.45 C ATOM 0 H LEU A 59 -8.744 15.872 5.624 1.00 61.21 H new ATOM 0 HA LEU A 59 -8.209 17.852 3.599 1.00 62.22 H new ATOM 0 HB2 LEU A 59 -9.431 15.138 3.817 1.00 33.14 H new ATOM 0 HB3 LEU A 59 -10.006 16.139 2.498 1.00 33.14 H new ATOM 0 HG LEU A 59 -7.854 16.264 1.503 1.00 42.22 H new ATOM 0 HD11 LEU A 59 -5.833 15.313 2.545 1.00 54.14 H new ATOM 0 HD12 LEU A 59 -6.527 16.625 3.526 1.00 54.14 H new ATOM 0 HD13 LEU A 59 -6.773 14.929 4.006 1.00 54.14 H new ATOM 0 HD21 LEU A 59 -7.289 13.888 1.154 1.00 21.45 H new ATOM 0 HD22 LEU A 59 -8.287 13.450 2.561 1.00 21.45 H new ATOM 0 HD23 LEU A 59 -9.047 14.161 1.117 1.00 21.45 H new ATOM 938 N LYS A 60 -11.349 17.367 4.543 1.00 0.44 N ATOM 939 CA LYS A 60 -12.652 18.012 4.643 1.00 31.41 C ATOM 940 C LYS A 60 -13.104 18.106 6.097 1.00 11.44 C ATOM 941 O LYS A 60 -12.992 19.160 6.726 1.00 70.43 O ATOM 942 CB LYS A 60 -13.691 17.240 3.826 1.00 3.32 C ATOM 943 CG LYS A 60 -13.351 15.771 3.643 1.00 23.13 C ATOM 944 CD LYS A 60 -12.488 15.547 2.414 1.00 4.13 C ATOM 945 CE LYS A 60 -13.232 14.762 1.346 1.00 64.14 C ATOM 946 NZ LYS A 60 -13.693 13.438 1.849 1.00 51.30 N ATOM 0 H LYS A 60 -11.335 16.396 4.854 1.00 0.44 H new ATOM 0 HA LYS A 60 -12.560 19.022 4.243 1.00 31.41 H new ATOM 0 HB2 LYS A 60 -14.661 17.321 4.317 1.00 3.32 H new ATOM 0 HB3 LYS A 60 -13.790 17.706 2.846 1.00 3.32 H new ATOM 0 HG2 LYS A 60 -12.829 15.405 4.527 1.00 23.13 H new ATOM 0 HG3 LYS A 60 -14.270 15.192 3.553 1.00 23.13 H new ATOM 0 HD2 LYS A 60 -12.175 16.509 2.008 1.00 4.13 H new ATOM 0 HD3 LYS A 60 -11.582 15.010 2.697 1.00 4.13 H new ATOM 0 HE2 LYS A 60 -14.091 15.339 1.004 1.00 64.14 H new ATOM 0 HE3 LYS A 60 -12.582 14.616 0.484 1.00 64.14 H new ATOM 0 HZ1 LYS A 60 -13.704 12.754 1.066 1.00 51.30 H new ATOM 0 HZ2 LYS A 60 -13.046 13.104 2.591 1.00 51.30 H new ATOM 0 HZ3 LYS A 60 -14.652 13.530 2.242 1.00 51.30 H new ATOM 960 N LYS A 61 -13.611 16.999 6.628 1.00 44.15 N ATOM 961 CA LYS A 61 -14.075 16.955 8.009 1.00 71.12 C ATOM 962 C LYS A 61 -14.652 15.584 8.345 1.00 35.11 C ATOM 963 O LYS A 61 -14.501 15.093 9.465 1.00 51.20 O ATOM 964 CB LYS A 61 -15.131 18.037 8.247 1.00 34.43 C ATOM 965 CG LYS A 61 -16.177 18.121 7.148 1.00 5.54 C ATOM 966 CD LYS A 61 -17.397 18.905 7.598 1.00 63.33 C ATOM 967 CE LYS A 61 -18.321 18.053 8.455 1.00 33.21 C ATOM 968 NZ LYS A 61 -19.756 18.370 8.208 1.00 5.41 N ATOM 0 H LYS A 61 -13.711 16.119 6.122 1.00 44.15 H new ATOM 0 HA LYS A 61 -13.221 17.139 8.660 1.00 71.12 H new ATOM 0 HB2 LYS A 61 -15.629 17.843 9.197 1.00 34.43 H new ATOM 0 HB3 LYS A 61 -14.635 19.003 8.339 1.00 34.43 H new ATOM 0 HG2 LYS A 61 -15.743 18.595 6.267 1.00 5.54 H new ATOM 0 HG3 LYS A 61 -16.478 17.116 6.853 1.00 5.54 H new ATOM 0 HD2 LYS A 61 -17.080 19.781 8.163 1.00 63.33 H new ATOM 0 HD3 LYS A 61 -17.940 19.268 6.725 1.00 63.33 H new ATOM 0 HE2 LYS A 61 -18.141 16.999 8.246 1.00 33.21 H new ATOM 0 HE3 LYS A 61 -18.090 18.213 9.508 1.00 33.21 H new ATOM 0 HZ1 LYS A 61 -20.353 17.769 8.811 1.00 5.41 H new ATOM 0 HZ2 LYS A 61 -19.934 19.370 8.432 1.00 5.41 H new ATOM 0 HZ3 LYS A 61 -19.984 18.193 7.209 1.00 5.41 H new ATOM 982 N LEU A 62 -15.312 14.969 7.370 1.00 23.05 N ATOM 983 CA LEU A 62 -15.910 13.652 7.562 1.00 2.12 C ATOM 984 C LEU A 62 -17.028 13.708 8.599 1.00 23.00 C ATOM 985 O LEU A 62 -18.122 14.170 8.280 1.00 54.23 O ATOM 986 CB LEU A 62 -14.845 12.646 7.999 1.00 64.52 C ATOM 987 CG LEU A 62 -14.931 11.258 7.362 1.00 44.15 C ATOM 988 CD1 LEU A 62 -13.933 10.310 8.007 1.00 12.54 C ATOM 989 CD2 LEU A 62 -16.344 10.705 7.477 1.00 13.21 C ATOM 0 H LEU A 62 -15.447 15.361 6.438 1.00 23.05 H new ATOM 0 HA LEU A 62 -16.336 13.331 6.611 1.00 2.12 H new ATOM 0 HB2 LEU A 62 -13.864 13.066 7.776 1.00 64.52 H new ATOM 0 HB3 LEU A 62 -14.904 12.531 9.081 1.00 64.52 H new ATOM 0 HG LEU A 62 -14.682 11.350 6.305 1.00 44.15 H new ATOM 0 HD11 LEU A 62 -14.010 9.328 7.540 1.00 12.54 H new ATOM 0 HD12 LEU A 62 -12.923 10.698 7.872 1.00 12.54 H new ATOM 0 HD13 LEU A 62 -14.149 10.223 9.072 1.00 12.54 H new ATOM 0 HD21 LEU A 62 -16.386 9.717 7.019 1.00 13.21 H new ATOM 0 HD22 LEU A 62 -16.621 10.629 8.529 1.00 13.21 H new ATOM 0 HD23 LEU A 62 -17.038 11.372 6.966 1.00 13.21 H new ATOM 1002 N MET B 1 14.872 -17.764 -10.821 1.00 31.43 N ATOM 1003 CA MET B 1 13.958 -18.876 -11.056 1.00 34.11 C ATOM 1004 C MET B 1 12.510 -18.442 -10.848 1.00 51.21 C ATOM 1005 O MET B 1 12.244 -17.385 -10.276 1.00 32.44 O ATOM 1006 CB MET B 1 14.291 -20.043 -10.125 1.00 33.22 C ATOM 1007 CG MET B 1 15.436 -20.910 -10.623 1.00 63.43 C ATOM 1008 SD MET B 1 16.386 -21.647 -9.279 1.00 71.32 S ATOM 1009 CE MET B 1 18.026 -21.675 -9.998 1.00 55.23 C ATOM 0 H1 MET B 1 15.381 -17.541 -11.700 1.00 31.43 H new ATOM 0 H2 MET B 1 14.332 -16.930 -10.513 1.00 31.43 H new ATOM 0 H3 MET B 1 15.556 -18.027 -10.082 1.00 31.43 H new ATOM 0 HA MET B 1 14.077 -19.200 -12.090 1.00 34.11 H new ATOM 0 HB2 MET B 1 14.545 -19.651 -9.140 1.00 33.22 H new ATOM 0 HB3 MET B 1 13.403 -20.663 -10.002 1.00 33.22 H new ATOM 0 HG2 MET B 1 15.038 -21.702 -11.258 1.00 63.43 H new ATOM 0 HG3 MET B 1 16.099 -20.308 -11.244 1.00 63.43 H new ATOM 0 HE1 MET B 1 18.729 -22.105 -9.285 1.00 55.23 H new ATOM 0 HE2 MET B 1 18.015 -22.279 -10.906 1.00 55.23 H new ATOM 0 HE3 MET B 1 18.334 -20.658 -10.242 1.00 55.23 H new ATOM 1019 N LYS B 2 11.578 -19.264 -11.317 1.00 31.34 N ATOM 1020 CA LYS B 2 10.157 -18.967 -11.182 1.00 20.51 C ATOM 1021 C LYS B 2 9.330 -20.249 -11.179 1.00 42.40 C ATOM 1022 O LYS B 2 9.869 -21.347 -11.043 1.00 65.32 O ATOM 1023 CB LYS B 2 9.695 -18.053 -12.319 1.00 24.10 C ATOM 1024 CG LYS B 2 9.565 -18.764 -13.656 1.00 12.32 C ATOM 1025 CD LYS B 2 10.260 -17.995 -14.766 1.00 71.02 C ATOM 1026 CE LYS B 2 11.602 -18.617 -15.120 1.00 54.52 C ATOM 1027 NZ LYS B 2 11.443 -19.956 -15.751 1.00 21.42 N ATOM 0 H LYS B 2 11.781 -20.142 -11.795 1.00 31.34 H new ATOM 0 HA LYS B 2 10.008 -18.457 -10.230 1.00 20.51 H new ATOM 0 HB2 LYS B 2 8.732 -17.616 -12.054 1.00 24.10 H new ATOM 0 HB3 LYS B 2 10.402 -17.229 -12.422 1.00 24.10 H new ATOM 0 HG2 LYS B 2 9.994 -19.763 -13.581 1.00 12.32 H new ATOM 0 HG3 LYS B 2 8.510 -18.887 -13.903 1.00 12.32 H new ATOM 0 HD2 LYS B 2 9.623 -17.975 -15.650 1.00 71.02 H new ATOM 0 HD3 LYS B 2 10.408 -16.961 -14.456 1.00 71.02 H new ATOM 0 HE2 LYS B 2 12.140 -17.957 -15.800 1.00 54.52 H new ATOM 0 HE3 LYS B 2 12.208 -18.710 -14.219 1.00 54.52 H new ATOM 0 HZ1 LYS B 2 12.280 -20.168 -16.330 1.00 21.42 H new ATOM 0 HZ2 LYS B 2 11.342 -20.679 -15.010 1.00 21.42 H new ATOM 0 HZ3 LYS B 2 10.596 -19.957 -16.354 1.00 21.42 H new ATOM 1041 N LYS B 3 8.018 -20.103 -11.330 1.00 72.04 N ATOM 1042 CA LYS B 3 7.116 -21.248 -11.348 1.00 23.53 C ATOM 1043 C LYS B 3 5.673 -20.801 -11.549 1.00 34.31 C ATOM 1044 O LYS B 3 4.976 -21.296 -12.436 1.00 24.42 O ATOM 1045 CB LYS B 3 7.240 -22.040 -10.045 1.00 32.51 C ATOM 1046 CG LYS B 3 7.919 -23.387 -10.213 1.00 24.33 C ATOM 1047 CD LYS B 3 6.969 -24.534 -9.914 1.00 71.31 C ATOM 1048 CE LYS B 3 6.691 -24.654 -8.423 1.00 51.52 C ATOM 1049 NZ LYS B 3 5.896 -25.871 -8.101 1.00 50.35 N ATOM 0 H LYS B 3 7.555 -19.201 -11.442 1.00 72.04 H new ATOM 0 HA LYS B 3 7.398 -21.888 -12.184 1.00 23.53 H new ATOM 0 HB2 LYS B 3 7.801 -21.448 -9.322 1.00 32.51 H new ATOM 0 HB3 LYS B 3 6.245 -22.194 -9.627 1.00 32.51 H new ATOM 0 HG2 LYS B 3 8.294 -23.481 -11.232 1.00 24.33 H new ATOM 0 HG3 LYS B 3 8.781 -23.446 -9.549 1.00 24.33 H new ATOM 0 HD2 LYS B 3 6.032 -24.380 -10.449 1.00 71.31 H new ATOM 0 HD3 LYS B 3 7.396 -25.467 -10.282 1.00 71.31 H new ATOM 0 HE2 LYS B 3 7.635 -24.683 -7.879 1.00 51.52 H new ATOM 0 HE3 LYS B 3 6.154 -23.769 -8.082 1.00 51.52 H new ATOM 0 HZ1 LYS B 3 5.729 -25.915 -7.076 1.00 50.35 H new ATOM 0 HZ2 LYS B 3 4.984 -25.832 -8.599 1.00 50.35 H new ATOM 0 HZ3 LYS B 3 6.419 -26.717 -8.403 1.00 50.35 H new ATOM 1063 N LEU B 4 5.228 -19.862 -10.722 1.00 51.23 N ATOM 1064 CA LEU B 4 3.867 -19.345 -10.810 1.00 61.42 C ATOM 1065 C LEU B 4 3.593 -18.338 -9.698 1.00 71.23 C ATOM 1066 O LEU B 4 2.820 -17.396 -9.877 1.00 60.14 O ATOM 1067 CB LEU B 4 2.859 -20.495 -10.732 1.00 75.01 C ATOM 1068 CG LEU B 4 1.761 -20.498 -11.796 1.00 54.21 C ATOM 1069 CD1 LEU B 4 0.905 -19.245 -11.683 1.00 41.12 C ATOM 1070 CD2 LEU B 4 2.366 -20.609 -13.187 1.00 20.13 C ATOM 0 H LEU B 4 5.791 -19.442 -9.982 1.00 51.23 H new ATOM 0 HA LEU B 4 3.758 -18.837 -11.768 1.00 61.42 H new ATOM 0 HB2 LEU B 4 3.405 -21.436 -10.800 1.00 75.01 H new ATOM 0 HB3 LEU B 4 2.386 -20.471 -9.750 1.00 75.01 H new ATOM 0 HG LEU B 4 1.123 -21.366 -11.629 1.00 54.21 H new ATOM 0 HD11 LEU B 4 0.129 -19.264 -12.448 1.00 41.12 H new ATOM 0 HD12 LEU B 4 0.442 -19.209 -10.697 1.00 41.12 H new ATOM 0 HD13 LEU B 4 1.530 -18.363 -11.823 1.00 41.12 H new ATOM 0 HD21 LEU B 4 1.570 -20.610 -13.931 1.00 20.13 H new ATOM 0 HD22 LEU B 4 3.028 -19.761 -13.365 1.00 20.13 H new ATOM 0 HD23 LEU B 4 2.935 -21.536 -13.264 1.00 20.13 H new ATOM 1082 N ARG B 5 4.233 -18.541 -8.552 1.00 31.10 N ATOM 1083 CA ARG B 5 4.060 -17.649 -7.411 1.00 73.33 C ATOM 1084 C ARG B 5 4.660 -16.276 -7.698 1.00 4.03 C ATOM 1085 O ARG B 5 4.247 -15.274 -7.116 1.00 30.21 O ATOM 1086 CB ARG B 5 4.708 -18.250 -6.163 1.00 64.04 C ATOM 1087 CG ARG B 5 4.339 -19.706 -5.927 1.00 70.51 C ATOM 1088 CD ARG B 5 4.619 -20.125 -4.492 1.00 70.43 C ATOM 1089 NE ARG B 5 3.559 -20.974 -3.953 1.00 22.23 N ATOM 1090 CZ ARG B 5 3.569 -21.469 -2.720 1.00 14.41 C ATOM 1091 NH1 ARG B 5 4.577 -21.200 -1.903 1.00 12.33 N ATOM 1092 NH2 ARG B 5 2.567 -22.232 -2.303 1.00 43.20 N ATOM 0 H ARG B 5 4.876 -19.315 -8.388 1.00 31.10 H new ATOM 0 HA ARG B 5 2.991 -17.530 -7.235 1.00 73.33 H new ATOM 0 HB2 ARG B 5 5.791 -18.168 -6.251 1.00 64.04 H new ATOM 0 HB3 ARG B 5 4.414 -17.664 -5.293 1.00 64.04 H new ATOM 0 HG2 ARG B 5 3.283 -19.856 -6.152 1.00 70.51 H new ATOM 0 HG3 ARG B 5 4.904 -20.341 -6.610 1.00 70.51 H new ATOM 0 HD2 ARG B 5 5.568 -20.659 -4.449 1.00 70.43 H new ATOM 0 HD3 ARG B 5 4.724 -19.237 -3.869 1.00 70.43 H new ATOM 0 HE ARG B 5 2.768 -21.199 -4.556 1.00 22.23 H new ATOM 0 HH11 ARG B 5 5.348 -20.612 -2.220 1.00 12.33 H new ATOM 0 HH12 ARG B 5 4.582 -21.581 -0.957 1.00 12.33 H new ATOM 0 HH21 ARG B 5 1.789 -22.439 -2.929 1.00 43.20 H new ATOM 0 HH22 ARG B 5 2.575 -22.612 -1.356 1.00 43.20 H new ATOM 1106 N GLU B 6 5.637 -16.240 -8.599 1.00 23.42 N ATOM 1107 CA GLU B 6 6.295 -14.990 -8.962 1.00 22.11 C ATOM 1108 C GLU B 6 5.273 -13.943 -9.394 1.00 41.25 C ATOM 1109 O GLU B 6 5.503 -12.742 -9.256 1.00 42.32 O ATOM 1110 CB GLU B 6 7.307 -15.227 -10.085 1.00 74.54 C ATOM 1111 CG GLU B 6 8.752 -15.198 -9.620 1.00 55.12 C ATOM 1112 CD GLU B 6 9.700 -14.697 -10.692 1.00 13.13 C ATOM 1113 OE1 GLU B 6 10.835 -15.214 -10.768 1.00 15.34 O ATOM 1114 OE2 GLU B 6 9.308 -13.790 -11.455 1.00 12.23 O ATOM 0 H GLU B 6 5.990 -17.061 -9.090 1.00 23.42 H new ATOM 0 HA GLU B 6 6.821 -14.617 -8.083 1.00 22.11 H new ATOM 0 HB2 GLU B 6 7.103 -16.192 -10.548 1.00 74.54 H new ATOM 0 HB3 GLU B 6 7.167 -14.468 -10.855 1.00 74.54 H new ATOM 0 HG2 GLU B 6 8.834 -14.559 -8.741 1.00 55.12 H new ATOM 0 HG3 GLU B 6 9.052 -16.201 -9.315 1.00 55.12 H new ATOM 1122 N GLU B 7 4.144 -14.408 -9.921 1.00 31.44 N ATOM 1123 CA GLU B 7 3.088 -13.511 -10.374 1.00 64.32 C ATOM 1124 C GLU B 7 2.670 -12.556 -9.262 1.00 54.32 C ATOM 1125 O GLU B 7 2.265 -11.423 -9.523 1.00 35.11 O ATOM 1126 CB GLU B 7 1.877 -14.316 -10.853 1.00 31.45 C ATOM 1127 CG GLU B 7 1.893 -14.614 -12.343 1.00 51.22 C ATOM 1128 CD GLU B 7 0.543 -15.067 -12.862 1.00 30.21 C ATOM 1129 OE1 GLU B 7 0.515 -15.894 -13.797 1.00 42.21 O ATOM 1130 OE2 GLU B 7 -0.485 -14.594 -12.335 1.00 31.33 O ATOM 0 H GLU B 7 3.938 -15.399 -10.044 1.00 31.44 H new ATOM 0 HA GLU B 7 3.477 -12.923 -11.205 1.00 64.32 H new ATOM 0 HB2 GLU B 7 1.837 -15.257 -10.304 1.00 31.45 H new ATOM 0 HB3 GLU B 7 0.967 -13.766 -10.611 1.00 31.45 H new ATOM 0 HG2 GLU B 7 2.205 -13.721 -12.885 1.00 51.22 H new ATOM 0 HG3 GLU B 7 2.634 -15.387 -12.547 1.00 51.22 H new ATOM 1138 N ALA B 8 2.770 -13.020 -8.021 1.00 73.23 N ATOM 1139 CA ALA B 8 2.404 -12.206 -6.869 1.00 1.23 C ATOM 1140 C ALA B 8 3.446 -11.124 -6.608 1.00 53.42 C ATOM 1141 O ALA B 8 3.133 -10.068 -6.057 1.00 62.31 O ATOM 1142 CB ALA B 8 2.233 -13.083 -5.637 1.00 70.41 C ATOM 0 H ALA B 8 3.102 -13.956 -7.788 1.00 73.23 H new ATOM 0 HA ALA B 8 1.456 -11.716 -7.088 1.00 1.23 H new ATOM 0 HB1 ALA B 8 1.960 -12.462 -4.784 1.00 70.41 H new ATOM 0 HB2 ALA B 8 1.447 -13.816 -5.819 1.00 70.41 H new ATOM 0 HB3 ALA B 8 3.169 -13.599 -5.425 1.00 70.41 H new ATOM 1148 N ALA B 9 4.685 -11.392 -7.008 1.00 60.51 N ATOM 1149 CA ALA B 9 5.772 -10.440 -6.818 1.00 53.20 C ATOM 1150 C ALA B 9 5.464 -9.113 -7.503 1.00 54.31 C ATOM 1151 O ALA B 9 5.579 -8.047 -6.896 1.00 51.00 O ATOM 1152 CB ALA B 9 7.076 -11.017 -7.345 1.00 4.23 C ATOM 0 H ALA B 9 4.961 -12.261 -7.466 1.00 60.51 H new ATOM 0 HA ALA B 9 5.876 -10.253 -5.749 1.00 53.20 H new ATOM 0 HB1 ALA B 9 7.879 -10.295 -7.197 1.00 4.23 H new ATOM 0 HB2 ALA B 9 7.310 -11.936 -6.808 1.00 4.23 H new ATOM 0 HB3 ALA B 9 6.975 -11.234 -8.408 1.00 4.23 H new ATOM 1158 N LYS B 10 5.073 -9.183 -8.771 1.00 12.22 N ATOM 1159 CA LYS B 10 4.747 -7.987 -9.539 1.00 43.23 C ATOM 1160 C LYS B 10 3.662 -7.172 -8.844 1.00 50.53 C ATOM 1161 O LYS B 10 3.754 -5.946 -8.755 1.00 34.45 O ATOM 1162 CB LYS B 10 4.289 -8.370 -10.948 1.00 74.31 C ATOM 1163 CG LYS B 10 5.208 -9.361 -11.640 1.00 22.14 C ATOM 1164 CD LYS B 10 4.932 -9.432 -13.131 1.00 43.43 C ATOM 1165 CE LYS B 10 5.782 -8.432 -13.903 1.00 64.54 C ATOM 1166 NZ LYS B 10 6.777 -9.111 -14.778 1.00 4.52 N ATOM 0 H LYS B 10 4.974 -10.056 -9.289 1.00 12.22 H new ATOM 0 HA LYS B 10 5.646 -7.375 -9.610 1.00 43.23 H new ATOM 0 HB2 LYS B 10 3.287 -8.795 -10.892 1.00 74.31 H new ATOM 0 HB3 LYS B 10 4.219 -7.468 -11.555 1.00 74.31 H new ATOM 0 HG2 LYS B 10 6.246 -9.072 -11.475 1.00 22.14 H new ATOM 0 HG3 LYS B 10 5.078 -10.349 -11.198 1.00 22.14 H new ATOM 0 HD2 LYS B 10 5.136 -10.440 -13.492 1.00 43.43 H new ATOM 0 HD3 LYS B 10 3.876 -9.234 -13.317 1.00 43.43 H new ATOM 0 HE2 LYS B 10 5.136 -7.799 -14.511 1.00 64.54 H new ATOM 0 HE3 LYS B 10 6.301 -7.778 -13.202 1.00 64.54 H new ATOM 0 HZ1 LYS B 10 7.336 -8.397 -15.287 1.00 4.52 H new ATOM 0 HZ2 LYS B 10 7.410 -9.696 -14.195 1.00 4.52 H new ATOM 0 HZ3 LYS B 10 6.281 -9.715 -15.464 1.00 4.52 H new ATOM 1180 N LEU B 11 2.637 -7.858 -8.352 1.00 12.00 N ATOM 1181 CA LEU B 11 1.534 -7.197 -7.661 1.00 42.41 C ATOM 1182 C LEU B 11 2.054 -6.278 -6.560 1.00 50.35 C ATOM 1183 O LEU B 11 1.547 -5.173 -6.370 1.00 40.02 O ATOM 1184 CB LEU B 11 0.583 -8.237 -7.068 1.00 12.03 C ATOM 1185 CG LEU B 11 0.176 -9.382 -7.995 1.00 45.20 C ATOM 1186 CD1 LEU B 11 -0.875 -10.259 -7.331 1.00 42.41 C ATOM 1187 CD2 LEU B 11 -0.338 -8.839 -9.320 1.00 41.01 C ATOM 0 H LEU B 11 2.546 -8.872 -8.418 1.00 12.00 H new ATOM 0 HA LEU B 11 0.992 -6.591 -8.387 1.00 42.41 H new ATOM 0 HB2 LEU B 11 1.051 -8.664 -6.181 1.00 12.03 H new ATOM 0 HB3 LEU B 11 -0.321 -7.726 -6.737 1.00 12.03 H new ATOM 0 HG LEU B 11 1.056 -9.993 -8.194 1.00 45.20 H new ATOM 0 HD11 LEU B 11 -1.152 -11.069 -8.006 1.00 42.41 H new ATOM 0 HD12 LEU B 11 -0.470 -10.677 -6.409 1.00 42.41 H new ATOM 0 HD13 LEU B 11 -1.756 -9.660 -7.101 1.00 42.41 H new ATOM 0 HD21 LEU B 11 -0.623 -9.668 -9.967 1.00 41.01 H new ATOM 0 HD22 LEU B 11 -1.205 -8.204 -9.141 1.00 41.01 H new ATOM 0 HD23 LEU B 11 0.446 -8.255 -9.803 1.00 41.01 H new ATOM 1199 N PHE B 12 3.069 -6.742 -5.840 1.00 31.10 N ATOM 1200 CA PHE B 12 3.658 -5.961 -4.758 1.00 41.12 C ATOM 1201 C PHE B 12 4.512 -4.824 -5.311 1.00 3.55 C ATOM 1202 O PHE B 12 4.686 -3.794 -4.662 1.00 14.12 O ATOM 1203 CB PHE B 12 4.508 -6.859 -3.856 1.00 60.05 C ATOM 1204 CG PHE B 12 3.717 -7.937 -3.169 1.00 3.43 C ATOM 1205 CD1 PHE B 12 2.502 -7.650 -2.572 1.00 53.32 C ATOM 1206 CD2 PHE B 12 4.193 -9.238 -3.121 1.00 12.24 C ATOM 1207 CE1 PHE B 12 1.773 -8.639 -1.940 1.00 74.40 C ATOM 1208 CE2 PHE B 12 3.468 -10.232 -2.491 1.00 10.01 C ATOM 1209 CZ PHE B 12 2.257 -9.931 -1.898 1.00 72.24 C ATOM 0 H PHE B 12 3.501 -7.654 -5.986 1.00 31.10 H new ATOM 0 HA PHE B 12 2.847 -5.531 -4.171 1.00 41.12 H new ATOM 0 HB2 PHE B 12 5.294 -7.321 -4.453 1.00 60.05 H new ATOM 0 HB3 PHE B 12 4.999 -6.243 -3.103 1.00 60.05 H new ATOM 0 HD1 PHE B 12 2.119 -6.641 -2.600 1.00 53.32 H new ATOM 0 HD2 PHE B 12 5.140 -9.478 -3.581 1.00 12.24 H new ATOM 0 HE1 PHE B 12 0.825 -8.401 -1.479 1.00 74.40 H new ATOM 0 HE2 PHE B 12 3.848 -11.243 -2.462 1.00 10.01 H new ATOM 0 HZ PHE B 12 1.690 -10.705 -1.402 1.00 72.24 H new ATOM 1219 N GLU B 13 5.043 -5.021 -6.514 1.00 74.35 N ATOM 1220 CA GLU B 13 5.879 -4.012 -7.154 1.00 23.21 C ATOM 1221 C GLU B 13 5.142 -2.681 -7.259 1.00 73.22 C ATOM 1222 O GLU B 13 5.761 -1.617 -7.280 1.00 33.13 O ATOM 1223 CB GLU B 13 6.309 -4.482 -8.545 1.00 53.44 C ATOM 1224 CG GLU B 13 7.757 -4.163 -8.876 1.00 15.25 C ATOM 1225 CD GLU B 13 8.260 -4.923 -10.087 1.00 43.31 C ATOM 1226 OE1 GLU B 13 8.090 -4.418 -11.216 1.00 54.31 O ATOM 1227 OE2 GLU B 13 8.823 -6.023 -9.906 1.00 52.30 O ATOM 0 H GLU B 13 4.909 -5.869 -7.064 1.00 74.35 H new ATOM 0 HA GLU B 13 6.766 -3.867 -6.537 1.00 23.21 H new ATOM 0 HB2 GLU B 13 6.157 -5.559 -8.618 1.00 53.44 H new ATOM 0 HB3 GLU B 13 5.664 -4.018 -9.291 1.00 53.44 H new ATOM 0 HG2 GLU B 13 7.857 -3.093 -9.056 1.00 15.25 H new ATOM 0 HG3 GLU B 13 8.383 -4.401 -8.016 1.00 15.25 H new ATOM 1235 N GLU B 14 3.816 -2.748 -7.326 1.00 45.32 N ATOM 1236 CA GLU B 14 2.995 -1.548 -7.431 1.00 73.32 C ATOM 1237 C GLU B 14 2.939 -0.809 -6.097 1.00 1.11 C ATOM 1238 O GLU B 14 2.893 0.420 -6.058 1.00 11.30 O ATOM 1239 CB GLU B 14 1.579 -1.910 -7.886 1.00 3.21 C ATOM 1240 CG GLU B 14 1.545 -2.803 -9.115 1.00 52.43 C ATOM 1241 CD GLU B 14 0.301 -2.590 -9.955 1.00 54.24 C ATOM 1242 OE1 GLU B 14 -0.406 -3.582 -10.229 1.00 41.25 O ATOM 1243 OE2 GLU B 14 0.033 -1.432 -10.339 1.00 15.31 O ATOM 0 H GLU B 14 3.288 -3.620 -7.309 1.00 45.32 H new ATOM 0 HA GLU B 14 3.450 -0.891 -8.172 1.00 73.32 H new ATOM 0 HB2 GLU B 14 1.061 -2.411 -7.069 1.00 3.21 H new ATOM 0 HB3 GLU B 14 1.029 -0.993 -8.098 1.00 3.21 H new ATOM 0 HG2 GLU B 14 2.428 -2.610 -9.724 1.00 52.43 H new ATOM 0 HG3 GLU B 14 1.594 -3.846 -8.803 1.00 52.43 H new ATOM 1251 N TRP B 15 2.941 -1.568 -5.007 1.00 4.34 N ATOM 1252 CA TRP B 15 2.891 -0.985 -3.670 1.00 71.22 C ATOM 1253 C TRP B 15 4.132 -0.144 -3.396 1.00 41.21 C ATOM 1254 O TRP B 15 4.037 0.968 -2.875 1.00 52.43 O ATOM 1255 CB TRP B 15 2.762 -2.087 -2.617 1.00 50.30 C ATOM 1256 CG TRP B 15 2.271 -1.587 -1.292 1.00 61.15 C ATOM 1257 CD1 TRP B 15 2.038 -0.287 -0.941 1.00 61.03 C ATOM 1258 CD2 TRP B 15 1.954 -2.378 -0.142 1.00 21.11 C ATOM 1259 NE1 TRP B 15 1.595 -0.223 0.357 1.00 21.04 N ATOM 1260 CE2 TRP B 15 1.534 -1.492 0.870 1.00 15.03 C ATOM 1261 CE3 TRP B 15 1.983 -3.748 0.132 1.00 34.32 C ATOM 1262 CZ2 TRP B 15 1.148 -1.934 2.133 1.00 72.44 C ATOM 1263 CZ3 TRP B 15 1.599 -4.184 1.385 1.00 25.25 C ATOM 1264 CH2 TRP B 15 1.185 -3.281 2.373 1.00 10.44 C ATOM 0 H TRP B 15 2.977 -2.587 -5.022 1.00 4.34 H new ATOM 0 HA TRP B 15 2.017 -0.336 -3.615 1.00 71.22 H new ATOM 0 HB2 TRP B 15 2.079 -2.853 -2.984 1.00 50.30 H new ATOM 0 HB3 TRP B 15 3.732 -2.565 -2.480 1.00 50.30 H new ATOM 0 HD1 TRP B 15 2.181 0.565 -1.589 1.00 61.03 H new ATOM 0 HE1 TRP B 15 1.351 0.631 0.858 1.00 21.04 H new ATOM 0 HE3 TRP B 15 2.300 -4.453 -0.622 1.00 34.32 H new ATOM 0 HZ2 TRP B 15 0.831 -1.239 2.896 1.00 72.44 H new ATOM 0 HZ3 TRP B 15 1.618 -5.241 1.607 1.00 25.25 H new ATOM 0 HH2 TRP B 15 0.890 -3.655 3.342 1.00 10.44 H new ATOM 1275 N LYS B 16 5.295 -0.679 -3.748 1.00 63.44 N ATOM 1276 CA LYS B 16 6.555 0.023 -3.542 1.00 4.14 C ATOM 1277 C LYS B 16 6.761 1.098 -4.605 1.00 34.15 C ATOM 1278 O LYS B 16 7.419 2.109 -4.360 1.00 54.24 O ATOM 1279 CB LYS B 16 7.724 -0.965 -3.570 1.00 14.05 C ATOM 1280 CG LYS B 16 7.756 -1.834 -4.814 1.00 23.22 C ATOM 1281 CD LYS B 16 9.068 -2.592 -4.932 1.00 3.34 C ATOM 1282 CE LYS B 16 9.565 -2.626 -6.369 1.00 74.11 C ATOM 1283 NZ LYS B 16 10.593 -1.580 -6.626 1.00 14.34 N ATOM 0 H LYS B 16 5.391 -1.599 -4.178 1.00 63.44 H new ATOM 0 HA LYS B 16 6.516 0.505 -2.565 1.00 4.14 H new ATOM 0 HB2 LYS B 16 8.660 -0.410 -3.501 1.00 14.05 H new ATOM 0 HB3 LYS B 16 7.668 -1.606 -2.690 1.00 14.05 H new ATOM 0 HG2 LYS B 16 6.927 -2.542 -4.786 1.00 23.22 H new ATOM 0 HG3 LYS B 16 7.614 -1.212 -5.697 1.00 23.22 H new ATOM 0 HD2 LYS B 16 9.819 -2.122 -4.297 1.00 3.34 H new ATOM 0 HD3 LYS B 16 8.935 -3.611 -4.568 1.00 3.34 H new ATOM 0 HE2 LYS B 16 9.985 -3.608 -6.585 1.00 74.11 H new ATOM 0 HE3 LYS B 16 8.724 -2.483 -7.047 1.00 74.11 H new ATOM 0 HZ1 LYS B 16 10.906 -1.637 -7.616 1.00 14.34 H new ATOM 0 HZ2 LYS B 16 10.185 -0.641 -6.445 1.00 14.34 H new ATOM 0 HZ3 LYS B 16 11.407 -1.731 -5.997 1.00 14.34 H new ATOM 1297 N LYS B 17 6.191 0.874 -5.783 1.00 60.33 N ATOM 1298 CA LYS B 17 6.307 1.825 -6.883 1.00 4.43 C ATOM 1299 C LYS B 17 5.427 3.046 -6.642 1.00 74.22 C ATOM 1300 O LYS B 17 5.921 4.167 -6.521 1.00 43.52 O ATOM 1301 CB LYS B 17 5.922 1.157 -8.205 1.00 30.13 C ATOM 1302 CG LYS B 17 7.071 0.419 -8.870 1.00 63.43 C ATOM 1303 CD LYS B 17 8.002 1.375 -9.596 1.00 61.13 C ATOM 1304 CE LYS B 17 9.448 0.909 -9.520 1.00 51.24 C ATOM 1305 NZ LYS B 17 10.400 1.989 -9.902 1.00 73.22 N ATOM 0 H LYS B 17 5.643 0.042 -6.002 1.00 60.33 H new ATOM 0 HA LYS B 17 7.345 2.153 -6.938 1.00 4.43 H new ATOM 0 HB2 LYS B 17 5.107 0.456 -8.025 1.00 30.13 H new ATOM 0 HB3 LYS B 17 5.544 1.916 -8.890 1.00 30.13 H new ATOM 0 HG2 LYS B 17 7.632 -0.136 -8.118 1.00 63.43 H new ATOM 0 HG3 LYS B 17 6.676 -0.311 -9.576 1.00 63.43 H new ATOM 0 HD2 LYS B 17 7.699 1.457 -10.640 1.00 61.13 H new ATOM 0 HD3 LYS B 17 7.916 2.370 -9.160 1.00 61.13 H new ATOM 0 HE2 LYS B 17 9.668 0.572 -8.507 1.00 51.24 H new ATOM 0 HE3 LYS B 17 9.588 0.052 -10.178 1.00 51.24 H new ATOM 0 HZ1 LYS B 17 11.375 1.632 -9.837 1.00 73.22 H new ATOM 0 HZ2 LYS B 17 10.207 2.293 -10.878 1.00 73.22 H new ATOM 0 HZ3 LYS B 17 10.284 2.797 -9.258 1.00 73.22 H new ATOM 1319 N LEU B 18 4.119 2.821 -6.573 1.00 54.31 N ATOM 1320 CA LEU B 18 3.168 3.904 -6.345 1.00 2.40 C ATOM 1321 C LEU B 18 3.499 4.659 -5.062 1.00 22.25 C ATOM 1322 O LEU B 18 3.145 5.827 -4.907 1.00 40.12 O ATOM 1323 CB LEU B 18 1.743 3.352 -6.273 1.00 12.02 C ATOM 1324 CG LEU B 18 1.072 3.047 -7.613 1.00 4.43 C ATOM 1325 CD1 LEU B 18 0.167 1.832 -7.492 1.00 25.42 C ATOM 1326 CD2 LEU B 18 0.286 4.255 -8.101 1.00 63.44 C ATOM 0 H LEU B 18 3.693 1.899 -6.672 1.00 54.31 H new ATOM 0 HA LEU B 18 3.240 4.599 -7.182 1.00 2.40 H new ATOM 0 HB2 LEU B 18 1.759 2.437 -5.681 1.00 12.02 H new ATOM 0 HB3 LEU B 18 1.124 4.069 -5.734 1.00 12.02 H new ATOM 0 HG LEU B 18 1.848 2.823 -8.345 1.00 4.43 H new ATOM 0 HD11 LEU B 18 -0.302 1.630 -8.455 1.00 25.42 H new ATOM 0 HD12 LEU B 18 0.757 0.968 -7.187 1.00 25.42 H new ATOM 0 HD13 LEU B 18 -0.604 2.026 -6.747 1.00 25.42 H new ATOM 0 HD21 LEU B 18 -0.185 4.021 -9.056 1.00 63.44 H new ATOM 0 HD22 LEU B 18 -0.482 4.509 -7.370 1.00 63.44 H new ATOM 0 HD23 LEU B 18 0.961 5.101 -8.227 1.00 63.44 H new ATOM 1338 N ALA B 19 4.182 3.983 -4.143 1.00 23.32 N ATOM 1339 CA ALA B 19 4.564 4.589 -2.874 1.00 1.40 C ATOM 1340 C ALA B 19 5.692 5.597 -3.067 1.00 13.12 C ATOM 1341 O ALA B 19 5.806 6.566 -2.315 1.00 62.24 O ATOM 1342 CB ALA B 19 4.977 3.516 -1.879 1.00 10.53 C ATOM 0 H ALA B 19 4.482 3.015 -4.255 1.00 23.32 H new ATOM 0 HA ALA B 19 3.699 5.121 -2.478 1.00 1.40 H new ATOM 0 HB1 ALA B 19 5.260 3.984 -0.936 1.00 10.53 H new ATOM 0 HB2 ALA B 19 4.142 2.835 -1.711 1.00 10.53 H new ATOM 0 HB3 ALA B 19 5.825 2.959 -2.276 1.00 10.53 H new ATOM 1348 N GLU B 20 6.524 5.364 -4.077 1.00 22.22 N ATOM 1349 CA GLU B 20 7.644 6.252 -4.366 1.00 63.43 C ATOM 1350 C GLU B 20 7.157 7.557 -4.988 1.00 74.22 C ATOM 1351 O GLU B 20 7.531 8.643 -4.548 1.00 43.32 O ATOM 1352 CB GLU B 20 8.638 5.566 -5.305 1.00 2.11 C ATOM 1353 CG GLU B 20 9.956 6.310 -5.445 1.00 22.23 C ATOM 1354 CD GLU B 20 10.928 5.989 -4.326 1.00 11.43 C ATOM 1355 OE1 GLU B 20 11.874 5.209 -4.567 1.00 74.44 O ATOM 1356 OE2 GLU B 20 10.743 6.517 -3.210 1.00 10.34 O ATOM 0 H GLU B 20 6.444 4.568 -4.709 1.00 22.22 H new ATOM 0 HA GLU B 20 8.144 6.483 -3.425 1.00 63.43 H new ATOM 0 HB2 GLU B 20 8.836 4.559 -4.938 1.00 2.11 H new ATOM 0 HB3 GLU B 20 8.182 5.462 -6.290 1.00 2.11 H new ATOM 0 HG2 GLU B 20 10.412 6.056 -6.402 1.00 22.23 H new ATOM 0 HG3 GLU B 20 9.764 7.383 -5.458 1.00 22.23 H new ATOM 1364 N GLU B 21 6.319 7.440 -6.015 1.00 0.24 N ATOM 1365 CA GLU B 21 5.783 8.611 -6.698 1.00 63.41 C ATOM 1366 C GLU B 21 5.053 9.526 -5.719 1.00 2.32 C ATOM 1367 O GLU B 21 5.255 10.740 -5.719 1.00 43.03 O ATOM 1368 CB GLU B 21 4.832 8.184 -7.819 1.00 24.40 C ATOM 1369 CG GLU B 21 3.753 7.215 -7.365 1.00 34.45 C ATOM 1370 CD GLU B 21 2.936 6.669 -8.519 1.00 60.33 C ATOM 1371 OE1 GLU B 21 3.487 5.878 -9.313 1.00 62.52 O ATOM 1372 OE2 GLU B 21 1.747 7.033 -8.629 1.00 52.32 O ATOM 0 H GLU B 21 5.998 6.548 -6.391 1.00 0.24 H new ATOM 0 HA GLU B 21 6.619 9.162 -7.129 1.00 63.41 H new ATOM 0 HB2 GLU B 21 4.358 9.071 -8.240 1.00 24.40 H new ATOM 0 HB3 GLU B 21 5.411 7.722 -8.619 1.00 24.40 H new ATOM 0 HG2 GLU B 21 4.216 6.387 -6.829 1.00 34.45 H new ATOM 0 HG3 GLU B 21 3.090 7.719 -6.662 1.00 34.45 H new ATOM 1380 N ALA B 22 4.204 8.934 -4.885 1.00 63.51 N ATOM 1381 CA ALA B 22 3.445 9.694 -3.901 1.00 10.04 C ATOM 1382 C ALA B 22 4.372 10.353 -2.884 1.00 35.43 C ATOM 1383 O ALA B 22 4.083 11.437 -2.378 1.00 42.52 O ATOM 1384 CB ALA B 22 2.442 8.793 -3.197 1.00 33.42 C ATOM 0 H ALA B 22 4.025 7.930 -4.872 1.00 63.51 H new ATOM 0 HA ALA B 22 2.903 10.482 -4.425 1.00 10.04 H new ATOM 0 HB1 ALA B 22 1.882 9.374 -2.465 1.00 33.42 H new ATOM 0 HB2 ALA B 22 1.753 8.373 -3.930 1.00 33.42 H new ATOM 0 HB3 ALA B 22 2.971 7.985 -2.691 1.00 33.42 H new ATOM 1390 N ALA B 23 5.484 9.690 -2.588 1.00 13.44 N ATOM 1391 CA ALA B 23 6.453 10.212 -1.632 1.00 12.21 C ATOM 1392 C ALA B 23 7.188 11.422 -2.200 1.00 63.02 C ATOM 1393 O ALA B 23 7.313 12.453 -1.539 1.00 24.25 O ATOM 1394 CB ALA B 23 7.444 9.127 -1.238 1.00 10.33 C ATOM 0 H ALA B 23 5.737 8.790 -2.996 1.00 13.44 H new ATOM 0 HA ALA B 23 5.911 10.534 -0.743 1.00 12.21 H new ATOM 0 HB1 ALA B 23 8.161 9.531 -0.524 1.00 10.33 H new ATOM 0 HB2 ALA B 23 6.909 8.294 -0.783 1.00 10.33 H new ATOM 0 HB3 ALA B 23 7.973 8.778 -2.125 1.00 10.33 H new ATOM 1400 N LYS B 24 7.674 11.289 -3.430 1.00 70.43 N ATOM 1401 CA LYS B 24 8.397 12.370 -4.089 1.00 71.31 C ATOM 1402 C LYS B 24 7.470 13.547 -4.378 1.00 20.42 C ATOM 1403 O LYS B 24 7.876 14.706 -4.290 1.00 12.52 O ATOM 1404 CB LYS B 24 9.027 11.871 -5.391 1.00 12.03 C ATOM 1405 CG LYS B 24 8.017 11.320 -6.383 1.00 34.03 C ATOM 1406 CD LYS B 24 8.686 10.887 -7.676 1.00 70.44 C ATOM 1407 CE LYS B 24 8.657 11.995 -8.718 1.00 2.03 C ATOM 1408 NZ LYS B 24 10.014 12.281 -9.261 1.00 61.31 N ATOM 0 H LYS B 24 7.580 10.442 -3.991 1.00 70.43 H new ATOM 0 HA LYS B 24 9.186 12.708 -3.418 1.00 71.31 H new ATOM 0 HB2 LYS B 24 9.573 12.691 -5.858 1.00 12.03 H new ATOM 0 HB3 LYS B 24 9.756 11.095 -5.158 1.00 12.03 H new ATOM 0 HG2 LYS B 24 7.496 10.471 -5.940 1.00 34.03 H new ATOM 0 HG3 LYS B 24 7.265 12.079 -6.598 1.00 34.03 H new ATOM 0 HD2 LYS B 24 9.719 10.603 -7.475 1.00 70.44 H new ATOM 0 HD3 LYS B 24 8.183 10.004 -8.069 1.00 70.44 H new ATOM 0 HE2 LYS B 24 7.992 11.710 -9.533 1.00 2.03 H new ATOM 0 HE3 LYS B 24 8.245 12.901 -8.273 1.00 2.03 H new ATOM 0 HZ1 LYS B 24 9.952 13.041 -9.968 1.00 61.31 H new ATOM 0 HZ2 LYS B 24 10.642 12.578 -8.487 1.00 61.31 H new ATOM 0 HZ3 LYS B 24 10.397 11.424 -9.708 1.00 61.31 H new ATOM 1422 N LEU B 25 6.224 13.241 -4.722 1.00 50.31 N ATOM 1423 CA LEU B 25 5.239 14.274 -5.023 1.00 75.32 C ATOM 1424 C LEU B 25 4.722 14.923 -3.743 1.00 31.12 C ATOM 1425 O LEU B 25 4.491 16.132 -3.697 1.00 71.35 O ATOM 1426 CB LEU B 25 4.072 13.678 -5.814 1.00 33.13 C ATOM 1427 CG LEU B 25 4.180 13.763 -7.336 1.00 64.14 C ATOM 1428 CD1 LEU B 25 2.954 13.147 -7.994 1.00 22.34 C ATOM 1429 CD2 LEU B 25 4.355 15.208 -7.779 1.00 22.12 C ATOM 0 H LEU B 25 5.872 12.287 -4.799 1.00 50.31 H new ATOM 0 HA LEU B 25 5.725 15.041 -5.626 1.00 75.32 H new ATOM 0 HB2 LEU B 25 3.968 12.629 -5.535 1.00 33.13 H new ATOM 0 HB3 LEU B 25 3.156 14.182 -5.506 1.00 33.13 H new ATOM 0 HG LEU B 25 5.058 13.199 -7.650 1.00 64.14 H new ATOM 0 HD11 LEU B 25 3.049 13.217 -9.078 1.00 22.34 H new ATOM 0 HD12 LEU B 25 2.873 12.100 -7.704 1.00 22.34 H new ATOM 0 HD13 LEU B 25 2.061 13.683 -7.673 1.00 22.34 H new ATOM 0 HD21 LEU B 25 4.430 15.249 -8.866 1.00 22.12 H new ATOM 0 HD22 LEU B 25 3.497 15.795 -7.452 1.00 22.12 H new ATOM 0 HD23 LEU B 25 5.264 15.617 -7.337 1.00 22.12 H new ATOM 1441 N LEU B 26 4.544 14.113 -2.705 1.00 53.20 N ATOM 1442 CA LEU B 26 4.057 14.609 -1.423 1.00 24.15 C ATOM 1443 C LEU B 26 4.867 15.817 -0.962 1.00 72.32 C ATOM 1444 O LEU B 26 4.305 16.843 -0.581 1.00 50.51 O ATOM 1445 CB LEU B 26 4.125 13.503 -0.368 1.00 31.14 C ATOM 1446 CG LEU B 26 2.823 12.744 -0.106 1.00 1.53 C ATOM 1447 CD1 LEU B 26 3.108 11.413 0.570 1.00 25.24 C ATOM 1448 CD2 LEU B 26 1.877 13.583 0.740 1.00 0.05 C ATOM 0 H LEU B 26 4.730 13.110 -2.726 1.00 53.20 H new ATOM 0 HA LEU B 26 3.020 14.918 -1.551 1.00 24.15 H new ATOM 0 HB2 LEU B 26 4.886 12.784 -0.672 1.00 31.14 H new ATOM 0 HB3 LEU B 26 4.460 13.944 0.571 1.00 31.14 H new ATOM 0 HG LEU B 26 2.342 12.546 -1.064 1.00 1.53 H new ATOM 0 HD11 LEU B 26 2.170 10.887 0.748 1.00 25.24 H new ATOM 0 HD12 LEU B 26 3.747 10.808 -0.073 1.00 25.24 H new ATOM 0 HD13 LEU B 26 3.612 11.588 1.520 1.00 25.24 H new ATOM 0 HD21 LEU B 26 0.956 13.027 0.916 1.00 0.05 H new ATOM 0 HD22 LEU B 26 2.350 13.814 1.695 1.00 0.05 H new ATOM 0 HD23 LEU B 26 1.646 14.511 0.216 1.00 0.05 H new ATOM 1460 N GLU B 27 6.190 15.686 -1.003 1.00 34.31 N ATOM 1461 CA GLU B 27 7.076 16.769 -0.591 1.00 73.44 C ATOM 1462 C GLU B 27 7.484 17.623 -1.788 1.00 1.43 C ATOM 1463 O GLU B 27 8.399 18.440 -1.698 1.00 23.01 O ATOM 1464 CB GLU B 27 8.321 16.204 0.095 1.00 2.34 C ATOM 1465 CG GLU B 27 8.018 15.105 1.099 1.00 34.33 C ATOM 1466 CD GLU B 27 9.272 14.524 1.725 1.00 74.41 C ATOM 1467 OE1 GLU B 27 10.379 14.872 1.265 1.00 43.41 O ATOM 1468 OE2 GLU B 27 9.145 13.723 2.674 1.00 12.12 O ATOM 0 H GLU B 27 6.671 14.843 -1.317 1.00 34.31 H new ATOM 0 HA GLU B 27 6.535 17.399 0.115 1.00 73.44 H new ATOM 0 HB2 GLU B 27 8.998 15.814 -0.665 1.00 2.34 H new ATOM 0 HB3 GLU B 27 8.845 17.014 0.603 1.00 2.34 H new ATOM 0 HG2 GLU B 27 7.375 15.503 1.884 1.00 34.33 H new ATOM 0 HG3 GLU B 27 7.461 14.309 0.604 1.00 34.33 H new ATOM 1476 N GLY B 28 6.797 17.427 -2.909 1.00 3.02 N ATOM 1477 CA GLY B 28 7.103 18.185 -4.108 1.00 63.32 C ATOM 1478 C GLY B 28 6.945 19.679 -3.905 1.00 5.43 C ATOM 1479 O GLY B 28 7.405 20.475 -4.722 1.00 45.22 O ATOM 0 H GLY B 28 6.034 16.757 -3.008 1.00 3.02 H new ATOM 0 HA2 GLY B 28 8.125 17.970 -4.419 1.00 63.32 H new ATOM 0 HA3 GLY B 28 6.448 17.860 -4.917 1.00 63.32 H new ATOM 1483 N GLY B 29 6.292 20.060 -2.812 1.00 12.31 N ATOM 1484 CA GLY B 29 6.085 21.468 -2.526 1.00 12.24 C ATOM 1485 C GLY B 29 4.673 21.764 -2.059 1.00 64.32 C ATOM 1486 O GLY B 29 4.059 22.735 -2.495 1.00 55.34 O ATOM 0 H GLY B 29 5.903 19.420 -2.120 1.00 12.31 H new ATOM 0 HA2 GLY B 29 6.792 21.788 -1.760 1.00 12.24 H new ATOM 0 HA3 GLY B 29 6.298 22.052 -3.421 1.00 12.24 H new ATOM 1490 N GLY B 30 4.157 20.921 -1.169 1.00 10.11 N ATOM 1491 CA GLY B 30 2.812 21.113 -0.660 1.00 13.45 C ATOM 1492 C GLY B 30 2.795 21.463 0.815 1.00 2.05 C ATOM 1493 O GLY B 30 2.703 22.634 1.182 1.00 73.34 O ATOM 0 H GLY B 30 4.646 20.109 -0.792 1.00 10.11 H new ATOM 0 HA2 GLY B 30 2.323 21.907 -1.224 1.00 13.45 H new ATOM 0 HA3 GLY B 30 2.233 20.204 -0.821 1.00 13.45 H new ATOM 1497 N GLY B 31 2.884 20.444 1.666 1.00 53.53 N ATOM 1498 CA GLY B 31 2.875 20.671 3.099 1.00 74.44 C ATOM 1499 C GLY B 31 2.549 19.416 3.882 1.00 35.31 C ATOM 1500 O GLY B 31 2.075 18.430 3.319 1.00 72.54 O ATOM 0 H GLY B 31 2.962 19.466 1.388 1.00 53.53 H new ATOM 0 HA2 GLY B 31 3.850 21.047 3.410 1.00 74.44 H new ATOM 0 HA3 GLY B 31 2.144 21.444 3.337 1.00 74.44 H new ATOM 1504 N GLY B 32 2.803 19.451 5.187 1.00 3.02 N ATOM 1505 CA GLY B 32 2.528 18.300 6.028 1.00 42.33 C ATOM 1506 C GLY B 32 2.433 18.664 7.496 1.00 2.13 C ATOM 1507 O GLY B 32 2.800 19.769 7.894 1.00 24.13 O ATOM 0 H GLY B 32 3.194 20.256 5.677 1.00 3.02 H new ATOM 0 HA2 GLY B 32 1.594 17.837 5.711 1.00 42.33 H new ATOM 0 HA3 GLY B 32 3.314 17.558 5.891 1.00 42.33 H new ATOM 1511 N GLY B 33 1.937 17.733 8.304 1.00 21.33 N ATOM 1512 CA GLY B 33 1.802 17.981 9.728 1.00 50.02 C ATOM 1513 C GLY B 33 2.737 17.124 10.557 1.00 2.21 C ATOM 1514 O GLY B 33 2.642 15.898 10.546 1.00 73.50 O ATOM 0 H GLY B 33 1.626 16.811 7.998 1.00 21.33 H new ATOM 0 HA2 GLY B 33 2.003 19.033 9.931 1.00 50.02 H new ATOM 0 HA3 GLY B 33 0.773 17.788 10.031 1.00 50.02 H new ATOM 1518 N GLY B 34 3.647 17.772 11.279 1.00 42.53 N ATOM 1519 CA GLY B 34 4.592 17.045 12.106 1.00 1.23 C ATOM 1520 C GLY B 34 5.472 16.112 11.298 1.00 1.02 C ATOM 1521 O GLY B 34 6.135 16.535 10.353 1.00 63.15 O ATOM 0 H GLY B 34 3.746 18.787 11.306 1.00 42.53 H new ATOM 0 HA2 GLY B 34 5.219 17.755 12.645 1.00 1.23 H new ATOM 0 HA3 GLY B 34 4.047 16.469 12.854 1.00 1.23 H new ATOM 1525 N GLY B 35 5.480 14.836 11.673 1.00 53.13 N ATOM 1526 CA GLY B 35 6.290 13.860 10.967 1.00 32.52 C ATOM 1527 C GLY B 35 5.676 12.474 10.986 1.00 15.11 C ATOM 1528 O GLY B 35 5.285 11.947 9.946 1.00 53.32 O ATOM 0 H GLY B 35 4.940 14.461 12.453 1.00 53.13 H new ATOM 0 HA2 GLY B 35 6.422 14.181 9.934 1.00 32.52 H new ATOM 0 HA3 GLY B 35 7.282 13.821 11.418 1.00 32.52 H new ATOM 1532 N GLU B 36 5.592 11.881 12.174 1.00 12.43 N ATOM 1533 CA GLU B 36 5.023 10.547 12.322 1.00 2.13 C ATOM 1534 C GLU B 36 3.637 10.473 11.690 1.00 72.13 C ATOM 1535 O GLU B 36 3.247 9.442 11.141 1.00 74.14 O ATOM 1536 CB GLU B 36 4.942 10.165 13.802 1.00 73.02 C ATOM 1537 CG GLU B 36 4.238 8.842 14.051 1.00 62.00 C ATOM 1538 CD GLU B 36 4.516 8.284 15.433 1.00 52.11 C ATOM 1539 OE1 GLU B 36 4.496 7.045 15.588 1.00 63.11 O ATOM 1540 OE2 GLU B 36 4.754 9.086 16.361 1.00 54.53 O ATOM 0 H GLU B 36 5.911 12.303 13.046 1.00 12.43 H new ATOM 0 HA GLU B 36 5.676 9.842 11.807 1.00 2.13 H new ATOM 0 HB2 GLU B 36 5.951 10.113 14.211 1.00 73.02 H new ATOM 0 HB3 GLU B 36 4.419 10.953 14.344 1.00 73.02 H new ATOM 0 HG2 GLU B 36 3.164 8.978 13.928 1.00 62.00 H new ATOM 0 HG3 GLU B 36 4.556 8.119 13.300 1.00 62.00 H new ATOM 1548 N LEU B 37 2.896 11.573 11.772 1.00 14.51 N ATOM 1549 CA LEU B 37 1.552 11.635 11.209 1.00 72.43 C ATOM 1550 C LEU B 37 1.563 11.256 9.731 1.00 74.31 C ATOM 1551 O LEU B 37 0.868 10.329 9.312 1.00 15.42 O ATOM 1552 CB LEU B 37 0.968 13.038 11.383 1.00 40.15 C ATOM 1553 CG LEU B 37 -0.461 13.238 10.875 1.00 4.11 C ATOM 1554 CD1 LEU B 37 -1.466 12.944 11.978 1.00 3.20 C ATOM 1555 CD2 LEU B 37 -0.645 14.653 10.347 1.00 71.15 C ATOM 0 H LEU B 37 3.204 12.434 12.223 1.00 14.51 H new ATOM 0 HA LEU B 37 0.927 10.920 11.744 1.00 72.43 H new ATOM 0 HB2 LEU B 37 0.994 13.292 12.443 1.00 40.15 H new ATOM 0 HB3 LEU B 37 1.618 13.747 10.869 1.00 40.15 H new ATOM 0 HG LEU B 37 -0.637 12.540 10.057 1.00 4.11 H new ATOM 0 HD11 LEU B 37 -2.477 13.092 11.598 1.00 3.20 H new ATOM 0 HD12 LEU B 37 -1.350 11.912 12.310 1.00 3.20 H new ATOM 0 HD13 LEU B 37 -1.292 13.617 12.818 1.00 3.20 H new ATOM 0 HD21 LEU B 37 -1.667 14.778 9.990 1.00 71.15 H new ATOM 0 HD22 LEU B 37 -0.450 15.368 11.146 1.00 71.15 H new ATOM 0 HD23 LEU B 37 0.050 14.828 9.526 1.00 71.15 H new ATOM 1567 N MET B 38 2.357 11.977 8.947 1.00 11.11 N ATOM 1568 CA MET B 38 2.462 11.713 7.516 1.00 71.15 C ATOM 1569 C MET B 38 3.180 10.393 7.257 1.00 10.45 C ATOM 1570 O MET B 38 2.965 9.748 6.231 1.00 35.24 O ATOM 1571 CB MET B 38 3.201 12.857 6.818 1.00 24.25 C ATOM 1572 CG MET B 38 3.447 12.607 5.339 1.00 1.21 C ATOM 1573 SD MET B 38 3.499 14.131 4.376 1.00 33.04 S ATOM 1574 CE MET B 38 1.777 14.622 4.426 1.00 74.11 C ATOM 0 H MET B 38 2.937 12.748 9.278 1.00 11.11 H new ATOM 0 HA MET B 38 1.453 11.641 7.110 1.00 71.15 H new ATOM 0 HB2 MET B 38 2.624 13.775 6.932 1.00 24.25 H new ATOM 0 HB3 MET B 38 4.158 13.018 7.315 1.00 24.25 H new ATOM 0 HG2 MET B 38 4.389 12.072 5.217 1.00 1.21 H new ATOM 0 HG3 MET B 38 2.661 11.961 4.948 1.00 1.21 H new ATOM 0 HE1 MET B 38 1.565 15.290 3.591 1.00 74.11 H new ATOM 0 HE2 MET B 38 1.144 13.738 4.353 1.00 74.11 H new ATOM 0 HE3 MET B 38 1.573 15.137 5.364 1.00 74.11 H new ATOM 1584 N LYS B 39 4.037 9.998 8.193 1.00 1.35 N ATOM 1585 CA LYS B 39 4.789 8.755 8.067 1.00 72.33 C ATOM 1586 C LYS B 39 3.852 7.576 7.824 1.00 63.35 C ATOM 1587 O LYS B 39 4.234 6.584 7.200 1.00 42.32 O ATOM 1588 CB LYS B 39 5.619 8.507 9.328 1.00 44.11 C ATOM 1589 CG LYS B 39 6.947 7.821 9.056 1.00 32.50 C ATOM 1590 CD LYS B 39 7.701 7.536 10.344 1.00 24.42 C ATOM 1591 CE LYS B 39 9.197 7.752 10.174 1.00 55.32 C ATOM 1592 NZ LYS B 39 9.990 6.654 10.791 1.00 0.21 N ATOM 0 H LYS B 39 4.228 10.521 9.048 1.00 1.35 H new ATOM 0 HA LYS B 39 5.458 8.849 7.211 1.00 72.33 H new ATOM 0 HB2 LYS B 39 5.806 9.460 9.823 1.00 44.11 H new ATOM 0 HB3 LYS B 39 5.039 7.897 10.020 1.00 44.11 H new ATOM 0 HG2 LYS B 39 6.773 6.887 8.521 1.00 32.50 H new ATOM 0 HG3 LYS B 39 7.557 8.450 8.408 1.00 32.50 H new ATOM 0 HD2 LYS B 39 7.327 8.184 11.137 1.00 24.42 H new ATOM 0 HD3 LYS B 39 7.514 6.509 10.657 1.00 24.42 H new ATOM 0 HE2 LYS B 39 9.436 7.820 9.113 1.00 55.32 H new ATOM 0 HE3 LYS B 39 9.480 8.703 10.626 1.00 55.32 H new ATOM 0 HZ1 LYS B 39 11.004 6.839 10.653 1.00 0.21 H new ATOM 0 HZ2 LYS B 39 9.782 6.605 11.809 1.00 0.21 H new ATOM 0 HZ3 LYS B 39 9.739 5.750 10.342 1.00 0.21 H new ATOM 1606 N LEU B 40 2.624 7.689 8.317 1.00 12.23 N ATOM 1607 CA LEU B 40 1.631 6.633 8.151 1.00 42.11 C ATOM 1608 C LEU B 40 1.461 6.272 6.679 1.00 20.24 C ATOM 1609 O LEU B 40 1.350 5.096 6.327 1.00 51.54 O ATOM 1610 CB LEU B 40 0.289 7.070 8.740 1.00 51.24 C ATOM 1611 CG LEU B 40 0.005 6.619 10.172 1.00 34.21 C ATOM 1612 CD1 LEU B 40 -1.294 7.229 10.676 1.00 22.40 C ATOM 1613 CD2 LEU B 40 -0.050 5.100 10.251 1.00 35.15 C ATOM 0 H LEU B 40 2.291 8.502 8.836 1.00 12.23 H new ATOM 0 HA LEU B 40 1.983 5.750 8.684 1.00 42.11 H new ATOM 0 HB2 LEU B 40 0.238 8.158 8.706 1.00 51.24 H new ATOM 0 HB3 LEU B 40 -0.507 6.693 8.097 1.00 51.24 H new ATOM 0 HG LEU B 40 0.817 6.967 10.811 1.00 34.21 H new ATOM 0 HD11 LEU B 40 -1.480 6.897 11.697 1.00 22.40 H new ATOM 0 HD12 LEU B 40 -1.217 8.316 10.657 1.00 22.40 H new ATOM 0 HD13 LEU B 40 -2.117 6.912 10.036 1.00 22.40 H new ATOM 0 HD21 LEU B 40 -0.253 4.796 11.278 1.00 35.15 H new ATOM 0 HD22 LEU B 40 -0.842 4.730 9.600 1.00 35.15 H new ATOM 0 HD23 LEU B 40 0.906 4.684 9.932 1.00 35.15 H new ATOM 1625 N CYS B 41 1.445 7.288 5.825 1.00 41.13 N ATOM 1626 CA CYS B 41 1.291 7.078 4.389 1.00 73.04 C ATOM 1627 C CYS B 41 2.570 6.513 3.781 1.00 62.31 C ATOM 1628 O CYS B 41 2.527 5.582 2.977 1.00 1.42 O ATOM 1629 CB CYS B 41 0.919 8.390 3.697 1.00 31.24 C ATOM 1630 SG CYS B 41 -0.381 9.326 4.538 1.00 44.33 S ATOM 0 H CYS B 41 1.537 8.266 6.101 1.00 41.13 H new ATOM 0 HA CYS B 41 0.489 6.356 4.237 1.00 73.04 H new ATOM 0 HB2 CYS B 41 1.810 9.014 3.621 1.00 31.24 H new ATOM 0 HB3 CYS B 41 0.595 8.172 2.679 1.00 31.24 H new ATOM 0 HG CYS B 41 -1.315 9.631 3.687 1.00 44.33 H new ATOM 1636 N GLU B 42 3.706 7.083 4.171 1.00 62.33 N ATOM 1637 CA GLU B 42 4.997 6.637 3.661 1.00 13.44 C ATOM 1638 C GLU B 42 5.197 5.146 3.915 1.00 12.23 C ATOM 1639 O GLU B 42 5.960 4.483 3.213 1.00 14.23 O ATOM 1640 CB GLU B 42 6.130 7.433 4.313 1.00 33.03 C ATOM 1641 CG GLU B 42 7.287 7.728 3.373 1.00 72.45 C ATOM 1642 CD GLU B 42 7.480 9.212 3.134 1.00 53.33 C ATOM 1643 OE1 GLU B 42 8.319 9.820 3.832 1.00 51.51 O ATOM 1644 OE2 GLU B 42 6.794 9.767 2.250 1.00 35.53 O ATOM 0 H GLU B 42 3.758 7.853 4.837 1.00 62.33 H new ATOM 0 HA GLU B 42 5.013 6.810 2.585 1.00 13.44 H new ATOM 0 HB2 GLU B 42 5.731 8.374 4.690 1.00 33.03 H new ATOM 0 HB3 GLU B 42 6.504 6.878 5.173 1.00 33.03 H new ATOM 0 HG2 GLU B 42 8.203 7.308 3.788 1.00 72.45 H new ATOM 0 HG3 GLU B 42 7.112 7.230 2.419 1.00 72.45 H new ATOM 1652 N GLU B 43 4.506 4.626 4.926 1.00 63.14 N ATOM 1653 CA GLU B 43 4.608 3.214 5.273 1.00 5.23 C ATOM 1654 C GLU B 43 4.321 2.332 4.061 1.00 51.11 C ATOM 1655 O GLU B 43 4.782 1.193 3.985 1.00 14.32 O ATOM 1656 CB GLU B 43 3.638 2.872 6.406 1.00 15.31 C ATOM 1657 CG GLU B 43 4.000 3.520 7.732 1.00 32.10 C ATOM 1658 CD GLU B 43 4.562 2.528 8.731 1.00 31.33 C ATOM 1659 OE1 GLU B 43 3.804 1.641 9.177 1.00 31.01 O ATOM 1660 OE2 GLU B 43 5.760 2.638 9.068 1.00 52.43 O ATOM 0 H GLU B 43 3.871 5.161 5.518 1.00 63.14 H new ATOM 0 HA GLU B 43 5.628 3.023 5.607 1.00 5.23 H new ATOM 0 HB2 GLU B 43 2.634 3.185 6.120 1.00 15.31 H new ATOM 0 HB3 GLU B 43 3.610 1.790 6.535 1.00 15.31 H new ATOM 0 HG2 GLU B 43 4.731 4.309 7.559 1.00 32.10 H new ATOM 0 HG3 GLU B 43 3.114 3.993 8.155 1.00 32.10 H new ATOM 1668 N ALA B 44 3.557 2.868 3.115 1.00 74.12 N ATOM 1669 CA ALA B 44 3.209 2.132 1.905 1.00 34.23 C ATOM 1670 C ALA B 44 4.453 1.560 1.235 1.00 44.34 C ATOM 1671 O ALA B 44 4.472 0.399 0.827 1.00 13.31 O ATOM 1672 CB ALA B 44 2.452 3.032 0.940 1.00 2.30 C ATOM 0 H ALA B 44 3.167 3.809 3.163 1.00 74.12 H new ATOM 0 HA ALA B 44 2.565 1.299 2.187 1.00 34.23 H new ATOM 0 HB1 ALA B 44 2.198 2.470 0.041 1.00 2.30 H new ATOM 0 HB2 ALA B 44 1.538 3.388 1.415 1.00 2.30 H new ATOM 0 HB3 ALA B 44 3.076 3.884 0.671 1.00 2.30 H new ATOM 1678 N ALA B 45 5.490 2.383 1.122 1.00 41.41 N ATOM 1679 CA ALA B 45 6.738 1.959 0.501 1.00 2.10 C ATOM 1680 C ALA B 45 7.534 1.052 1.433 1.00 3.24 C ATOM 1681 O ALA B 45 8.373 0.267 0.988 1.00 33.30 O ATOM 1682 CB ALA B 45 7.569 3.169 0.103 1.00 14.42 C ATOM 0 H ALA B 45 5.490 3.348 1.453 1.00 41.41 H new ATOM 0 HA ALA B 45 6.493 1.390 -0.396 1.00 2.10 H new ATOM 0 HB1 ALA B 45 8.498 2.836 -0.359 1.00 14.42 H new ATOM 0 HB2 ALA B 45 7.008 3.778 -0.606 1.00 14.42 H new ATOM 0 HB3 ALA B 45 7.797 3.761 0.989 1.00 14.42 H new ATOM 1688 N LYS B 46 7.269 1.166 2.731 1.00 62.25 N ATOM 1689 CA LYS B 46 7.960 0.355 3.726 1.00 15.33 C ATOM 1690 C LYS B 46 7.430 -1.074 3.729 1.00 52.24 C ATOM 1691 O LYS B 46 8.199 -2.033 3.657 1.00 53.50 O ATOM 1692 CB LYS B 46 7.798 0.974 5.117 1.00 34.33 C ATOM 1693 CG LYS B 46 9.106 1.442 5.732 1.00 35.50 C ATOM 1694 CD LYS B 46 8.867 2.307 6.958 1.00 60.13 C ATOM 1695 CE LYS B 46 10.175 2.671 7.645 1.00 34.44 C ATOM 1696 NZ LYS B 46 11.069 3.459 6.754 1.00 13.44 N ATOM 0 H LYS B 46 6.581 1.812 3.118 1.00 62.25 H new ATOM 0 HA LYS B 46 9.018 0.329 3.466 1.00 15.33 H new ATOM 0 HB2 LYS B 46 7.114 1.820 5.051 1.00 34.33 H new ATOM 0 HB3 LYS B 46 7.336 0.242 5.780 1.00 34.33 H new ATOM 0 HG2 LYS B 46 9.710 0.577 6.008 1.00 35.50 H new ATOM 0 HG3 LYS B 46 9.676 2.006 4.993 1.00 35.50 H new ATOM 0 HD2 LYS B 46 8.342 3.217 6.666 1.00 60.13 H new ATOM 0 HD3 LYS B 46 8.222 1.777 7.659 1.00 60.13 H new ATOM 0 HE2 LYS B 46 9.964 3.245 8.547 1.00 34.44 H new ATOM 0 HE3 LYS B 46 10.686 1.761 7.959 1.00 34.44 H new ATOM 0 HZ1 LYS B 46 11.878 3.816 7.302 1.00 13.44 H new ATOM 0 HZ2 LYS B 46 11.414 2.852 5.983 1.00 13.44 H new ATOM 0 HZ3 LYS B 46 10.541 4.260 6.353 1.00 13.44 H new ATOM 1710 N LYS B 47 6.111 -1.211 3.811 1.00 15.30 N ATOM 1711 CA LYS B 47 5.477 -2.524 3.819 1.00 35.32 C ATOM 1712 C LYS B 47 5.641 -3.216 2.471 1.00 70.32 C ATOM 1713 O LYS B 47 5.666 -4.444 2.392 1.00 2.13 O ATOM 1714 CB LYS B 47 3.990 -2.392 4.159 1.00 22.11 C ATOM 1715 CG LYS B 47 3.731 -1.835 5.549 1.00 72.33 C ATOM 1716 CD LYS B 47 3.548 -2.945 6.570 1.00 61.44 C ATOM 1717 CE LYS B 47 4.365 -2.689 7.825 1.00 12.34 C ATOM 1718 NZ LYS B 47 3.777 -1.603 8.658 1.00 21.43 N ATOM 0 H LYS B 47 5.460 -0.428 3.873 1.00 15.30 H new ATOM 0 HA LYS B 47 5.966 -3.131 4.581 1.00 35.32 H new ATOM 0 HB2 LYS B 47 3.514 -1.745 3.423 1.00 22.11 H new ATOM 0 HB3 LYS B 47 3.518 -3.371 4.075 1.00 22.11 H new ATOM 0 HG2 LYS B 47 4.564 -1.199 5.848 1.00 72.33 H new ATOM 0 HG3 LYS B 47 2.841 -1.207 5.530 1.00 72.33 H new ATOM 0 HD2 LYS B 47 2.493 -3.029 6.832 1.00 61.44 H new ATOM 0 HD3 LYS B 47 3.844 -3.897 6.130 1.00 61.44 H new ATOM 0 HE2 LYS B 47 4.425 -3.605 8.412 1.00 12.34 H new ATOM 0 HE3 LYS B 47 5.384 -2.422 7.546 1.00 12.34 H new ATOM 0 HZ1 LYS B 47 4.363 -1.459 9.505 1.00 21.43 H new ATOM 0 HZ2 LYS B 47 3.743 -0.722 8.106 1.00 21.43 H new ATOM 0 HZ3 LYS B 47 2.814 -1.869 8.945 1.00 21.43 H new ATOM 1732 N ALA B 48 5.752 -2.421 1.412 1.00 4.25 N ATOM 1733 CA ALA B 48 5.918 -2.958 0.066 1.00 0.15 C ATOM 1734 C ALA B 48 7.281 -3.623 -0.095 1.00 74.11 C ATOM 1735 O ALA B 48 7.377 -4.753 -0.571 1.00 72.44 O ATOM 1736 CB ALA B 48 5.740 -1.855 -0.967 1.00 64.51 C ATOM 0 H ALA B 48 5.730 -1.402 1.460 1.00 4.25 H new ATOM 0 HA ALA B 48 5.152 -3.717 -0.094 1.00 0.15 H new ATOM 0 HB1 ALA B 48 5.866 -2.269 -1.967 1.00 64.51 H new ATOM 0 HB2 ALA B 48 4.741 -1.428 -0.875 1.00 64.51 H new ATOM 0 HB3 ALA B 48 6.484 -1.077 -0.800 1.00 64.51 H new ATOM 1742 N GLU B 49 8.332 -2.913 0.304 1.00 50.20 N ATOM 1743 CA GLU B 49 9.689 -3.435 0.202 1.00 44.33 C ATOM 1744 C GLU B 49 9.969 -4.446 1.310 1.00 62.04 C ATOM 1745 O GLU B 49 10.786 -5.351 1.146 1.00 51.51 O ATOM 1746 CB GLU B 49 10.705 -2.293 0.269 1.00 21.32 C ATOM 1747 CG GLU B 49 11.909 -2.494 -0.636 1.00 74.30 C ATOM 1748 CD GLU B 49 12.625 -1.196 -0.950 1.00 44.10 C ATOM 1749 OE1 GLU B 49 12.296 -0.571 -1.981 1.00 71.10 O ATOM 1750 OE2 GLU B 49 13.516 -0.804 -0.167 1.00 60.24 O ATOM 0 H GLU B 49 8.269 -1.975 0.701 1.00 50.20 H new ATOM 0 HA GLU B 49 9.785 -3.941 -0.759 1.00 44.33 H new ATOM 0 HB2 GLU B 49 10.209 -1.361 -0.002 1.00 21.32 H new ATOM 0 HB3 GLU B 49 11.049 -2.184 1.298 1.00 21.32 H new ATOM 0 HG2 GLU B 49 12.606 -3.183 -0.159 1.00 74.30 H new ATOM 0 HG3 GLU B 49 11.586 -2.961 -1.566 1.00 74.30 H new ATOM 1758 N GLU B 50 9.283 -4.285 2.437 1.00 63.12 N ATOM 1759 CA GLU B 50 9.459 -5.182 3.573 1.00 61.34 C ATOM 1760 C GLU B 50 8.962 -6.587 3.238 1.00 1.22 C ATOM 1761 O GLU B 50 9.677 -7.571 3.429 1.00 65.03 O ATOM 1762 CB GLU B 50 8.713 -4.645 4.796 1.00 61.10 C ATOM 1763 CG GLU B 50 8.691 -5.611 5.968 1.00 25.45 C ATOM 1764 CD GLU B 50 8.165 -4.975 7.240 1.00 55.34 C ATOM 1765 OE1 GLU B 50 8.133 -3.727 7.308 1.00 30.25 O ATOM 1766 OE2 GLU B 50 7.785 -5.721 8.165 1.00 41.15 O ATOM 0 H GLU B 50 8.601 -3.542 2.588 1.00 63.12 H new ATOM 0 HA GLU B 50 10.524 -5.235 3.800 1.00 61.34 H new ATOM 0 HB2 GLU B 50 9.178 -3.712 5.114 1.00 61.10 H new ATOM 0 HB3 GLU B 50 7.688 -4.409 4.511 1.00 61.10 H new ATOM 0 HG2 GLU B 50 8.071 -6.471 5.713 1.00 25.45 H new ATOM 0 HG3 GLU B 50 9.699 -5.986 6.144 1.00 25.45 H new ATOM 1774 N LEU B 51 7.735 -6.670 2.738 1.00 33.22 N ATOM 1775 CA LEU B 51 7.142 -7.953 2.377 1.00 61.44 C ATOM 1776 C LEU B 51 7.764 -8.500 1.096 1.00 12.41 C ATOM 1777 O LEU B 51 7.936 -9.710 0.945 1.00 41.54 O ATOM 1778 CB LEU B 51 5.629 -7.806 2.199 1.00 21.25 C ATOM 1779 CG LEU B 51 5.165 -7.190 0.879 1.00 21.22 C ATOM 1780 CD1 LEU B 51 4.948 -8.273 -0.167 1.00 70.14 C ATOM 1781 CD2 LEU B 51 3.891 -6.383 1.085 1.00 20.14 C ATOM 0 H LEU B 51 7.131 -5.865 2.573 1.00 33.22 H new ATOM 0 HA LEU B 51 7.341 -8.657 3.185 1.00 61.44 H new ATOM 0 HB2 LEU B 51 5.174 -8.792 2.296 1.00 21.25 H new ATOM 0 HB3 LEU B 51 5.245 -7.196 3.016 1.00 21.25 H new ATOM 0 HG LEU B 51 5.944 -6.517 0.521 1.00 21.22 H new ATOM 0 HD11 LEU B 51 4.618 -7.817 -1.100 1.00 70.14 H new ATOM 0 HD12 LEU B 51 5.882 -8.809 -0.336 1.00 70.14 H new ATOM 0 HD13 LEU B 51 4.188 -8.971 0.184 1.00 70.14 H new ATOM 0 HD21 LEU B 51 3.576 -5.952 0.135 1.00 20.14 H new ATOM 0 HD22 LEU B 51 3.105 -7.035 1.466 1.00 20.14 H new ATOM 0 HD23 LEU B 51 4.079 -5.583 1.802 1.00 20.14 H new ATOM 1793 N PHE B 52 8.102 -7.600 0.178 1.00 21.34 N ATOM 1794 CA PHE B 52 8.707 -7.993 -1.089 1.00 51.50 C ATOM 1795 C PHE B 52 10.051 -8.679 -0.861 1.00 13.20 C ATOM 1796 O PHE B 52 10.511 -9.461 -1.693 1.00 44.20 O ATOM 1797 CB PHE B 52 8.894 -6.769 -1.990 1.00 72.12 C ATOM 1798 CG PHE B 52 9.693 -7.053 -3.229 1.00 4.20 C ATOM 1799 CD1 PHE B 52 9.120 -7.716 -4.302 1.00 21.02 C ATOM 1800 CD2 PHE B 52 11.018 -6.656 -3.321 1.00 71.23 C ATOM 1801 CE1 PHE B 52 9.855 -7.980 -5.443 1.00 53.14 C ATOM 1802 CE2 PHE B 52 11.757 -6.916 -4.460 1.00 21.31 C ATOM 1803 CZ PHE B 52 11.174 -7.578 -5.523 1.00 72.01 C ATOM 0 H PHE B 52 7.967 -6.595 0.288 1.00 21.34 H new ATOM 0 HA PHE B 52 8.037 -8.699 -1.579 1.00 51.50 H new ATOM 0 HB2 PHE B 52 7.915 -6.387 -2.279 1.00 72.12 H new ATOM 0 HB3 PHE B 52 9.388 -5.981 -1.421 1.00 72.12 H new ATOM 0 HD1 PHE B 52 8.088 -8.030 -4.247 1.00 21.02 H new ATOM 0 HD2 PHE B 52 11.478 -6.137 -2.493 1.00 71.23 H new ATOM 0 HE1 PHE B 52 9.398 -8.500 -6.272 1.00 53.14 H new ATOM 0 HE2 PHE B 52 12.789 -6.602 -4.519 1.00 21.31 H new ATOM 0 HZ PHE B 52 11.748 -7.781 -6.415 1.00 72.01 H new ATOM 1813 N LYS B 53 10.675 -8.381 0.273 1.00 25.02 N ATOM 1814 CA LYS B 53 11.966 -8.969 0.614 1.00 54.14 C ATOM 1815 C LYS B 53 11.845 -10.479 0.794 1.00 10.21 C ATOM 1816 O LYS B 53 12.500 -11.253 0.093 1.00 53.42 O ATOM 1817 CB LYS B 53 12.516 -8.335 1.893 1.00 3.21 C ATOM 1818 CG LYS B 53 13.990 -7.976 1.808 1.00 32.14 C ATOM 1819 CD LYS B 53 14.189 -6.526 1.400 1.00 51.32 C ATOM 1820 CE LYS B 53 15.592 -6.040 1.731 1.00 63.44 C ATOM 1821 NZ LYS B 53 16.445 -5.937 0.513 1.00 74.54 N ATOM 0 H LYS B 53 10.308 -7.736 0.972 1.00 25.02 H new ATOM 0 HA LYS B 53 12.655 -8.772 -0.207 1.00 54.14 H new ATOM 0 HB2 LYS B 53 11.944 -7.435 2.118 1.00 3.21 H new ATOM 0 HB3 LYS B 53 12.366 -9.024 2.724 1.00 3.21 H new ATOM 0 HG2 LYS B 53 14.464 -8.151 2.774 1.00 32.14 H new ATOM 0 HG3 LYS B 53 14.483 -8.628 1.087 1.00 32.14 H new ATOM 0 HD2 LYS B 53 14.009 -6.420 0.330 1.00 51.32 H new ATOM 0 HD3 LYS B 53 13.457 -5.900 1.910 1.00 51.32 H new ATOM 0 HE2 LYS B 53 15.534 -5.066 2.217 1.00 63.44 H new ATOM 0 HE3 LYS B 53 16.055 -6.724 2.442 1.00 63.44 H new ATOM 0 HZ1 LYS B 53 17.393 -5.603 0.780 1.00 74.54 H new ATOM 0 HZ2 LYS B 53 16.522 -6.871 0.063 1.00 74.54 H new ATOM 0 HZ3 LYS B 53 16.017 -5.265 -0.155 1.00 74.54 H new ATOM 1835 N LEU B 54 11.005 -10.892 1.736 1.00 65.34 N ATOM 1836 CA LEU B 54 10.796 -12.311 2.007 1.00 44.41 C ATOM 1837 C LEU B 54 9.934 -12.951 0.924 1.00 72.23 C ATOM 1838 O LEU B 54 9.992 -14.161 0.705 1.00 60.45 O ATOM 1839 CB LEU B 54 10.140 -12.498 3.375 1.00 11.54 C ATOM 1840 CG LEU B 54 11.081 -12.469 4.580 1.00 3.31 C ATOM 1841 CD1 LEU B 54 12.097 -13.596 4.492 1.00 43.51 C ATOM 1842 CD2 LEU B 54 11.783 -11.121 4.677 1.00 72.22 C ATOM 0 H LEU B 54 10.457 -10.265 2.325 1.00 65.34 H new ATOM 0 HA LEU B 54 11.769 -12.803 2.008 1.00 44.41 H new ATOM 0 HB2 LEU B 54 9.390 -11.718 3.506 1.00 11.54 H new ATOM 0 HB3 LEU B 54 9.611 -13.451 3.375 1.00 11.54 H new ATOM 0 HG LEU B 54 10.488 -12.613 5.483 1.00 3.31 H new ATOM 0 HD11 LEU B 54 12.758 -13.559 5.358 1.00 43.51 H new ATOM 0 HD12 LEU B 54 11.577 -14.554 4.473 1.00 43.51 H new ATOM 0 HD13 LEU B 54 12.686 -13.485 3.582 1.00 43.51 H new ATOM 0 HD21 LEU B 54 12.449 -11.119 5.540 1.00 72.22 H new ATOM 0 HD22 LEU B 54 12.363 -10.947 3.771 1.00 72.22 H new ATOM 0 HD23 LEU B 54 11.040 -10.331 4.789 1.00 72.22 H new ATOM 1854 N ALA B 55 9.135 -12.131 0.249 1.00 50.22 N ATOM 1855 CA ALA B 55 8.264 -12.617 -0.814 1.00 51.12 C ATOM 1856 C ALA B 55 9.061 -13.353 -1.885 1.00 52.52 C ATOM 1857 O ALA B 55 8.525 -14.199 -2.598 1.00 64.55 O ATOM 1858 CB ALA B 55 7.489 -11.461 -1.430 1.00 71.24 C ATOM 0 H ALA B 55 9.073 -11.127 0.419 1.00 50.22 H new ATOM 0 HA ALA B 55 7.557 -13.322 -0.377 1.00 51.12 H new ATOM 0 HB1 ALA B 55 6.842 -11.838 -2.222 1.00 71.24 H new ATOM 0 HB2 ALA B 55 6.881 -10.981 -0.663 1.00 71.24 H new ATOM 0 HB3 ALA B 55 8.188 -10.735 -1.846 1.00 71.24 H new ATOM 1864 N GLU B 56 10.345 -13.023 -1.993 1.00 35.23 N ATOM 1865 CA GLU B 56 11.215 -13.652 -2.979 1.00 32.03 C ATOM 1866 C GLU B 56 11.644 -15.041 -2.517 1.00 24.04 C ATOM 1867 O GLU B 56 11.915 -15.921 -3.334 1.00 3.52 O ATOM 1868 CB GLU B 56 12.448 -12.783 -3.232 1.00 3.32 C ATOM 1869 CG GLU B 56 12.156 -11.292 -3.219 1.00 53.03 C ATOM 1870 CD GLU B 56 13.147 -10.495 -4.045 1.00 75.41 C ATOM 1871 OE1 GLU B 56 13.431 -10.907 -5.189 1.00 63.42 O ATOM 1872 OE2 GLU B 56 13.638 -9.460 -3.549 1.00 34.44 O ATOM 0 H GLU B 56 10.805 -12.324 -1.410 1.00 35.23 H new ATOM 0 HA GLU B 56 10.655 -13.754 -3.908 1.00 32.03 H new ATOM 0 HB2 GLU B 56 13.199 -13.004 -2.474 1.00 3.32 H new ATOM 0 HB3 GLU B 56 12.880 -13.052 -4.196 1.00 3.32 H new ATOM 0 HG2 GLU B 56 11.150 -11.120 -3.600 1.00 53.03 H new ATOM 0 HG3 GLU B 56 12.173 -10.931 -2.191 1.00 53.03 H new ATOM 1880 N GLU B 57 11.705 -15.230 -1.203 1.00 34.22 N ATOM 1881 CA GLU B 57 12.102 -16.512 -0.632 1.00 12.10 C ATOM 1882 C GLU B 57 11.080 -17.596 -0.963 1.00 40.44 C ATOM 1883 O GLU B 57 11.442 -18.708 -1.348 1.00 31.51 O ATOM 1884 CB GLU B 57 12.262 -16.393 0.885 1.00 60.14 C ATOM 1885 CG GLU B 57 12.814 -17.648 1.539 1.00 44.14 C ATOM 1886 CD GLU B 57 12.059 -18.031 2.796 1.00 33.12 C ATOM 1887 OE1 GLU B 57 11.500 -17.125 3.452 1.00 44.50 O ATOM 1888 OE2 GLU B 57 12.026 -19.235 3.127 1.00 74.20 O ATOM 0 H GLU B 57 11.485 -14.512 -0.513 1.00 34.22 H new ATOM 0 HA GLU B 57 13.059 -16.794 -1.070 1.00 12.10 H new ATOM 0 HB2 GLU B 57 12.924 -15.556 1.107 1.00 60.14 H new ATOM 0 HB3 GLU B 57 11.293 -16.159 1.327 1.00 60.14 H new ATOM 0 HG2 GLU B 57 12.770 -18.473 0.828 1.00 44.14 H new ATOM 0 HG3 GLU B 57 13.865 -17.493 1.784 1.00 44.14 H new ATOM 1896 N ARG B 58 9.803 -17.261 -0.812 1.00 31.41 N ATOM 1897 CA ARG B 58 8.728 -18.206 -1.093 1.00 61.12 C ATOM 1898 C ARG B 58 8.487 -18.324 -2.595 1.00 72.24 C ATOM 1899 O ARG B 58 8.059 -19.369 -3.086 1.00 34.53 O ATOM 1900 CB ARG B 58 7.440 -17.769 -0.392 1.00 30.44 C ATOM 1901 CG ARG B 58 7.026 -16.342 -0.712 1.00 31.02 C ATOM 1902 CD ARG B 58 6.596 -15.593 0.539 1.00 12.13 C ATOM 1903 NE ARG B 58 5.554 -14.610 0.257 1.00 41.44 N ATOM 1904 CZ ARG B 58 5.205 -13.645 1.102 1.00 45.01 C ATOM 1905 NH1 ARG B 58 5.813 -13.535 2.275 1.00 62.02 N ATOM 1906 NH2 ARG B 58 4.247 -12.787 0.772 1.00 22.14 N ATOM 0 H ARG B 58 9.487 -16.344 -0.497 1.00 31.41 H new ATOM 0 HA ARG B 58 9.028 -19.182 -0.712 1.00 61.12 H new ATOM 0 HB2 ARG B 58 6.634 -18.445 -0.677 1.00 30.44 H new ATOM 0 HB3 ARG B 58 7.572 -17.867 0.686 1.00 30.44 H new ATOM 0 HG2 ARG B 58 7.857 -15.818 -1.183 1.00 31.02 H new ATOM 0 HG3 ARG B 58 6.207 -16.352 -1.431 1.00 31.02 H new ATOM 0 HD2 ARG B 58 6.232 -16.304 1.280 1.00 12.13 H new ATOM 0 HD3 ARG B 58 7.459 -15.091 0.976 1.00 12.13 H new ATOM 0 HE ARG B 58 5.067 -14.667 -0.637 1.00 41.44 H new ATOM 0 HH11 ARG B 58 6.550 -14.192 2.531 1.00 62.02 H new ATOM 0 HH12 ARG B 58 5.543 -12.794 2.922 1.00 62.02 H new ATOM 0 HH21 ARG B 58 3.778 -12.868 -0.130 1.00 22.14 H new ATOM 0 HH22 ARG B 58 3.980 -12.047 1.421 1.00 22.14 H new ATOM 1920 N LEU B 59 8.763 -17.245 -3.320 1.00 33.41 N ATOM 1921 CA LEU B 59 8.576 -17.227 -4.766 1.00 13.10 C ATOM 1922 C LEU B 59 9.717 -17.953 -5.472 1.00 42.34 C ATOM 1923 O LEU B 59 9.510 -18.982 -6.114 1.00 44.05 O ATOM 1924 CB LEU B 59 8.484 -15.785 -5.270 1.00 20.32 C ATOM 1925 CG LEU B 59 7.074 -15.204 -5.387 1.00 71.41 C ATOM 1926 CD1 LEU B 59 6.255 -15.538 -4.150 1.00 61.41 C ATOM 1927 CD2 LEU B 59 7.134 -13.698 -5.598 1.00 64.25 C ATOM 0 H LEU B 59 9.117 -16.372 -2.930 1.00 33.41 H new ATOM 0 HA LEU B 59 7.645 -17.745 -4.994 1.00 13.10 H new ATOM 0 HB2 LEU B 59 9.063 -15.149 -4.600 1.00 20.32 H new ATOM 0 HB3 LEU B 59 8.960 -15.732 -6.249 1.00 20.32 H new ATOM 0 HG LEU B 59 6.587 -15.653 -6.252 1.00 71.41 H new ATOM 0 HD11 LEU B 59 5.255 -15.117 -4.251 1.00 61.41 H new ATOM 0 HD12 LEU B 59 6.184 -16.620 -4.042 1.00 61.41 H new ATOM 0 HD13 LEU B 59 6.739 -15.117 -3.269 1.00 61.41 H new ATOM 0 HD21 LEU B 59 6.122 -13.301 -5.679 1.00 64.25 H new ATOM 0 HD22 LEU B 59 7.640 -13.232 -4.752 1.00 64.25 H new ATOM 0 HD23 LEU B 59 7.683 -13.481 -6.514 1.00 64.25 H new ATOM 1939 N LYS B 60 10.923 -17.409 -5.347 1.00 43.10 N ATOM 1940 CA LYS B 60 12.100 -18.005 -5.970 1.00 71.52 C ATOM 1941 C LYS B 60 13.098 -18.468 -4.914 1.00 1.42 C ATOM 1942 O LYS B 60 13.173 -19.654 -4.592 1.00 4.41 O ATOM 1943 CB LYS B 60 12.766 -17.002 -6.913 1.00 64.12 C ATOM 1944 CG LYS B 60 12.498 -15.553 -6.548 1.00 4.40 C ATOM 1945 CD LYS B 60 11.228 -15.038 -7.203 1.00 53.21 C ATOM 1946 CE LYS B 60 11.528 -13.959 -8.232 1.00 4.42 C ATOM 1947 NZ LYS B 60 12.273 -12.816 -7.635 1.00 71.13 N ATOM 0 H LYS B 60 11.111 -16.556 -4.820 1.00 43.10 H new ATOM 0 HA LYS B 60 11.777 -18.873 -6.544 1.00 71.52 H new ATOM 0 HB2 LYS B 60 13.842 -17.175 -6.912 1.00 64.12 H new ATOM 0 HB3 LYS B 60 12.415 -17.183 -7.929 1.00 64.12 H new ATOM 0 HG2 LYS B 60 12.414 -15.459 -5.465 1.00 4.40 H new ATOM 0 HG3 LYS B 60 13.343 -14.937 -6.856 1.00 4.40 H new ATOM 0 HD2 LYS B 60 10.705 -15.865 -7.683 1.00 53.21 H new ATOM 0 HD3 LYS B 60 10.560 -14.638 -6.440 1.00 53.21 H new ATOM 0 HE2 LYS B 60 12.111 -14.387 -9.047 1.00 4.42 H new ATOM 0 HE3 LYS B 60 10.594 -13.598 -8.663 1.00 4.42 H new ATOM 0 HZ1 LYS B 60 11.994 -11.934 -8.110 1.00 71.13 H new ATOM 0 HZ2 LYS B 60 12.051 -12.748 -6.621 1.00 71.13 H new ATOM 0 HZ3 LYS B 60 13.295 -12.966 -7.756 1.00 71.13 H new ATOM 1961 N LYS B 61 13.863 -17.524 -4.376 1.00 4.01 N ATOM 1962 CA LYS B 61 14.856 -17.833 -3.354 1.00 61.11 C ATOM 1963 C LYS B 61 15.625 -16.581 -2.947 1.00 12.23 C ATOM 1964 O LYS B 61 16.003 -16.423 -1.784 1.00 54.05 O ATOM 1965 CB LYS B 61 15.829 -18.898 -3.865 1.00 43.34 C ATOM 1966 CG LYS B 61 16.320 -18.645 -5.281 1.00 31.41 C ATOM 1967 CD LYS B 61 17.552 -19.474 -5.601 1.00 23.45 C ATOM 1968 CE LYS B 61 18.811 -18.849 -5.016 1.00 70.40 C ATOM 1969 NZ LYS B 61 19.988 -19.035 -5.910 1.00 55.11 N ATOM 0 H LYS B 61 13.814 -16.538 -4.631 1.00 4.01 H new ATOM 0 HA LYS B 61 14.333 -18.217 -2.479 1.00 61.11 H new ATOM 0 HB2 LYS B 61 16.687 -18.945 -3.195 1.00 43.34 H new ATOM 0 HB3 LYS B 61 15.341 -19.872 -3.827 1.00 43.34 H new ATOM 0 HG2 LYS B 61 15.527 -18.882 -5.990 1.00 31.41 H new ATOM 0 HG3 LYS B 61 16.551 -17.587 -5.403 1.00 31.41 H new ATOM 0 HD2 LYS B 61 17.427 -20.482 -5.205 1.00 23.45 H new ATOM 0 HD3 LYS B 61 17.659 -19.567 -6.682 1.00 23.45 H new ATOM 0 HE2 LYS B 61 18.645 -17.785 -4.850 1.00 70.40 H new ATOM 0 HE3 LYS B 61 19.020 -19.294 -4.043 1.00 70.40 H new ATOM 0 HZ1 LYS B 61 20.826 -18.596 -5.477 1.00 55.11 H new ATOM 0 HZ2 LYS B 61 20.162 -20.051 -6.048 1.00 55.11 H new ATOM 0 HZ3 LYS B 61 19.799 -18.588 -6.830 1.00 55.11 H new ATOM 1983 N LEU B 62 15.853 -15.692 -3.908 1.00 31.54 N ATOM 1984 CA LEU B 62 16.575 -14.452 -3.647 1.00 45.32 C ATOM 1985 C LEU B 62 18.021 -14.737 -3.252 1.00 14.22 C ATOM 1986 O LEU B 62 18.836 -15.039 -4.122 1.00 73.40 O ATOM 1987 CB LEU B 62 15.880 -13.656 -2.543 1.00 52.10 C ATOM 1988 CG LEU B 62 15.795 -12.144 -2.757 1.00 73.35 C ATOM 1989 CD1 LEU B 62 15.224 -11.461 -1.524 1.00 52.33 C ATOM 1990 CD2 LEU B 62 17.164 -11.576 -3.098 1.00 40.30 C ATOM 0 H LEU B 62 15.548 -15.807 -4.875 1.00 31.54 H new ATOM 0 HA LEU B 62 16.577 -13.862 -4.564 1.00 45.32 H new ATOM 0 HB2 LEU B 62 14.868 -14.044 -2.425 1.00 52.10 H new ATOM 0 HB3 LEU B 62 16.403 -13.841 -1.605 1.00 52.10 H new ATOM 0 HG LEU B 62 15.125 -11.952 -3.595 1.00 73.35 H new ATOM 0 HD11 LEU B 62 15.171 -10.386 -1.695 1.00 52.33 H new ATOM 0 HD12 LEU B 62 14.224 -11.846 -1.325 1.00 52.33 H new ATOM 0 HD13 LEU B 62 15.867 -11.661 -0.667 1.00 52.33 H new ATOM 0 HD21 LEU B 62 17.084 -10.499 -3.247 1.00 40.30 H new ATOM 0 HD22 LEU B 62 17.856 -11.779 -2.281 1.00 40.30 H new ATOM 0 HD23 LEU B 62 17.534 -12.042 -4.011 1.00 40.30 H new