USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0765) USER MOD Single : A 16 LYS NZ :NH3+ 141:sc= 0.178 (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 176:sc= -3.75 (180deg=-3.99!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -146:sc= 0.652 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -156:sc=-0.00542 (180deg=-0.377) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0685) 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 178:sc= -3.06 (180deg=-3.19) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -165:sc= -1.1 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -13.924 22.488 3.070 1.00 64.51 N ATOM 19 CA LYS A 2 -13.340 21.620 2.054 1.00 51.45 C ATOM 20 C LYS A 2 -13.326 22.310 0.694 1.00 64.54 C ATOM 21 O LYS A 2 -14.261 23.028 0.339 1.00 21.34 O ATOM 22 CB LYS A 2 -14.122 20.307 1.965 1.00 51.35 C ATOM 23 CG LYS A 2 -15.470 20.448 1.279 1.00 23.32 C ATOM 24 CD LYS A 2 -16.357 19.243 1.542 1.00 44.12 C ATOM 25 CE LYS A 2 -17.357 19.031 0.415 1.00 34.12 C ATOM 26 NZ LYS A 2 -16.985 17.874 -0.446 1.00 72.22 N ATOM 0 HA LYS A 2 -12.311 21.403 2.343 1.00 51.45 H new ATOM 0 HB2 LYS A 2 -13.524 19.573 1.425 1.00 51.35 H new ATOM 0 HB3 LYS A 2 -14.275 19.916 2.971 1.00 51.35 H new ATOM 0 HG2 LYS A 2 -15.967 21.351 1.633 1.00 23.32 H new ATOM 0 HG3 LYS A 2 -15.323 20.565 0.205 1.00 23.32 H new ATOM 0 HD2 LYS A 2 -15.739 18.352 1.654 1.00 44.12 H new ATOM 0 HD3 LYS A 2 -16.891 19.381 2.482 1.00 44.12 H new ATOM 0 HE2 LYS A 2 -18.349 18.866 0.836 1.00 34.12 H new ATOM 0 HE3 LYS A 2 -17.415 19.933 -0.194 1.00 34.12 H new ATOM 0 HZ1 LYS A 2 -17.691 17.763 -1.202 1.00 72.22 H new ATOM 0 HZ2 LYS A 2 -16.049 18.042 -0.868 1.00 72.22 H new ATOM 0 HZ3 LYS A 2 -16.955 17.008 0.130 1.00 72.22 H new ATOM 40 N LYS A 3 -12.260 22.085 -0.068 1.00 33.43 N ATOM 41 CA LYS A 3 -12.124 22.681 -1.391 1.00 62.41 C ATOM 42 C LYS A 3 -11.446 21.715 -2.357 1.00 25.51 C ATOM 43 O LYS A 3 -12.081 21.187 -3.272 1.00 11.32 O ATOM 44 CB LYS A 3 -11.323 23.982 -1.307 1.00 64.21 C ATOM 45 CG LYS A 3 -12.164 25.229 -1.515 1.00 10.31 C ATOM 46 CD LYS A 3 -12.171 25.661 -2.973 1.00 31.44 C ATOM 47 CE LYS A 3 -13.024 26.901 -3.182 1.00 73.43 C ATOM 48 NZ LYS A 3 -14.303 26.585 -3.878 1.00 31.24 N ATOM 0 H LYS A 3 -11.477 21.493 0.209 1.00 33.43 H new ATOM 0 HA LYS A 3 -13.123 22.900 -1.767 1.00 62.41 H new ATOM 0 HB2 LYS A 3 -10.839 24.039 -0.332 1.00 64.21 H new ATOM 0 HB3 LYS A 3 -10.530 23.960 -2.055 1.00 64.21 H new ATOM 0 HG2 LYS A 3 -13.186 25.039 -1.186 1.00 10.31 H new ATOM 0 HG3 LYS A 3 -11.775 26.038 -0.897 1.00 10.31 H new ATOM 0 HD2 LYS A 3 -11.150 25.861 -3.299 1.00 31.44 H new ATOM 0 HD3 LYS A 3 -12.550 24.848 -3.593 1.00 31.44 H new ATOM 0 HE2 LYS A 3 -13.240 27.360 -2.217 1.00 73.43 H new ATOM 0 HE3 LYS A 3 -12.464 27.632 -3.765 1.00 73.43 H new ATOM 0 HZ1 LYS A 3 -14.856 27.457 -4.001 1.00 31.24 H new ATOM 0 HZ2 LYS A 3 -14.098 26.170 -4.809 1.00 31.24 H new ATOM 0 HZ3 LYS A 3 -14.849 25.907 -3.310 1.00 31.24 H new ATOM 62 N LEU A 4 -10.155 21.485 -2.147 1.00 2.33 N ATOM 63 CA LEU A 4 -9.390 20.580 -2.998 1.00 23.30 C ATOM 64 C LEU A 4 -8.501 19.666 -2.160 1.00 64.25 C ATOM 65 O LEU A 4 -7.669 18.933 -2.696 1.00 31.12 O ATOM 66 CB LEU A 4 -8.536 21.377 -3.986 1.00 32.54 C ATOM 67 CG LEU A 4 -7.200 21.895 -3.453 1.00 34.43 C ATOM 68 CD1 LEU A 4 -6.426 22.605 -4.552 1.00 12.13 C ATOM 69 CD2 LEU A 4 -7.424 22.825 -2.269 1.00 53.14 C ATOM 0 H LEU A 4 -9.615 21.913 -1.394 1.00 2.33 H new ATOM 0 HA LEU A 4 -10.094 19.961 -3.554 1.00 23.30 H new ATOM 0 HB2 LEU A 4 -8.339 20.748 -4.854 1.00 32.54 H new ATOM 0 HB3 LEU A 4 -9.120 22.229 -4.335 1.00 32.54 H new ATOM 0 HG LEU A 4 -6.610 21.043 -3.115 1.00 34.43 H new ATOM 0 HD11 LEU A 4 -5.478 22.967 -4.154 1.00 12.13 H new ATOM 0 HD12 LEU A 4 -6.235 21.910 -5.370 1.00 12.13 H new ATOM 0 HD13 LEU A 4 -7.010 23.448 -4.922 1.00 12.13 H new ATOM 0 HD21 LEU A 4 -6.463 23.185 -1.902 1.00 53.14 H new ATOM 0 HD22 LEU A 4 -8.033 23.673 -2.582 1.00 53.14 H new ATOM 0 HD23 LEU A 4 -7.937 22.284 -1.474 1.00 53.14 H new ATOM 81 N ARG A 5 -8.684 19.715 -0.846 1.00 23.45 N ATOM 82 CA ARG A 5 -7.898 18.890 0.065 1.00 13.21 C ATOM 83 C ARG A 5 -8.315 17.425 -0.030 1.00 33.11 C ATOM 84 O ARG A 5 -7.489 16.524 0.113 1.00 15.44 O ATOM 85 CB ARG A 5 -8.061 19.386 1.504 1.00 24.31 C ATOM 86 CG ARG A 5 -7.785 20.871 1.671 1.00 34.42 C ATOM 87 CD ARG A 5 -8.888 21.556 2.463 1.00 31.34 C ATOM 88 NE ARG A 5 -9.197 22.882 1.937 1.00 74.25 N ATOM 89 CZ ARG A 5 -8.452 23.958 2.169 1.00 21.55 C ATOM 90 NH1 ARG A 5 -7.360 23.862 2.914 1.00 53.43 N ATOM 91 NH2 ARG A 5 -8.799 25.130 1.654 1.00 2.12 N ATOM 0 H ARG A 5 -9.369 20.316 -0.387 1.00 23.45 H new ATOM 0 HA ARG A 5 -6.850 18.970 -0.224 1.00 13.21 H new ATOM 0 HB2 ARG A 5 -9.076 19.174 1.840 1.00 24.31 H new ATOM 0 HB3 ARG A 5 -7.387 18.825 2.151 1.00 24.31 H new ATOM 0 HG2 ARG A 5 -6.831 21.010 2.179 1.00 34.42 H new ATOM 0 HG3 ARG A 5 -7.695 21.338 0.690 1.00 34.42 H new ATOM 0 HD2 ARG A 5 -9.786 20.939 2.441 1.00 31.34 H new ATOM 0 HD3 ARG A 5 -8.585 21.642 3.507 1.00 31.34 H new ATOM 0 HE ARG A 5 -10.031 22.989 1.359 1.00 74.25 H new ATOM 0 HH11 ARG A 5 -7.090 22.962 3.310 1.00 53.43 H new ATOM 0 HH12 ARG A 5 -6.789 24.689 3.091 1.00 53.43 H new ATOM 0 HH21 ARG A 5 -9.638 25.206 1.079 1.00 2.12 H new ATOM 0 HH22 ARG A 5 -8.227 25.955 1.833 1.00 2.12 H new ATOM 105 N GLU A 6 -9.602 17.196 -0.272 1.00 53.22 N ATOM 106 CA GLU A 6 -10.129 15.841 -0.385 1.00 0.44 C ATOM 107 C GLU A 6 -9.368 15.048 -1.444 1.00 72.03 C ATOM 108 O GLU A 6 -9.302 13.821 -1.387 1.00 73.21 O ATOM 109 CB GLU A 6 -11.618 15.875 -0.730 1.00 55.24 C ATOM 110 CG GLU A 6 -11.897 16.144 -2.199 1.00 1.03 C ATOM 111 CD GLU A 6 -13.380 16.200 -2.512 1.00 21.24 C ATOM 112 OE1 GLU A 6 -14.162 16.568 -1.610 1.00 70.13 O ATOM 113 OE2 GLU A 6 -13.758 15.874 -3.656 1.00 3.31 O ATOM 0 H GLU A 6 -10.299 17.931 -0.394 1.00 53.22 H new ATOM 0 HA GLU A 6 -9.999 15.347 0.578 1.00 0.44 H new ATOM 0 HB2 GLU A 6 -12.068 14.922 -0.452 1.00 55.24 H new ATOM 0 HB3 GLU A 6 -12.104 16.644 -0.130 1.00 55.24 H new ATOM 0 HG2 GLU A 6 -11.433 17.088 -2.486 1.00 1.03 H new ATOM 0 HG3 GLU A 6 -11.432 15.364 -2.802 1.00 1.03 H new ATOM 121 N GLU A 7 -8.796 15.761 -2.410 1.00 22.33 N ATOM 122 CA GLU A 7 -8.042 15.124 -3.483 1.00 25.21 C ATOM 123 C GLU A 7 -6.962 14.204 -2.919 1.00 33.43 C ATOM 124 O GLU A 7 -6.618 13.189 -3.523 1.00 53.02 O ATOM 125 CB GLU A 7 -7.404 16.182 -4.386 1.00 30.22 C ATOM 126 CG GLU A 7 -6.126 16.777 -3.817 1.00 71.13 C ATOM 127 CD GLU A 7 -4.893 15.979 -4.192 1.00 63.22 C ATOM 128 OE1 GLU A 7 -3.914 16.002 -3.417 1.00 62.21 O ATOM 129 OE2 GLU A 7 -4.907 15.331 -5.260 1.00 51.03 O ATOM 0 H GLU A 7 -8.841 16.778 -2.471 1.00 22.33 H new ATOM 0 HA GLU A 7 -8.736 14.524 -4.072 1.00 25.21 H new ATOM 0 HB2 GLU A 7 -7.187 15.736 -5.357 1.00 30.22 H new ATOM 0 HB3 GLU A 7 -8.123 16.983 -4.557 1.00 30.22 H new ATOM 0 HG2 GLU A 7 -6.015 17.800 -4.176 1.00 71.13 H new ATOM 0 HG3 GLU A 7 -6.205 16.827 -2.731 1.00 71.13 H new ATOM 137 N ALA A 8 -6.432 14.568 -1.755 1.00 71.25 N ATOM 138 CA ALA A 8 -5.394 13.776 -1.108 1.00 34.12 C ATOM 139 C ALA A 8 -5.968 12.486 -0.533 1.00 4.24 C ATOM 140 O ALA A 8 -5.267 11.480 -0.423 1.00 30.05 O ATOM 141 CB ALA A 8 -4.717 14.588 -0.014 1.00 10.12 C ATOM 0 H ALA A 8 -6.705 15.406 -1.242 1.00 71.25 H new ATOM 0 HA ALA A 8 -4.652 13.509 -1.860 1.00 34.12 H new ATOM 0 HB1 ALA A 8 -3.944 13.985 0.461 1.00 10.12 H new ATOM 0 HB2 ALA A 8 -4.265 15.479 -0.449 1.00 10.12 H new ATOM 0 HB3 ALA A 8 -5.456 14.883 0.731 1.00 10.12 H new ATOM 147 N ALA A 9 -7.244 12.521 -0.167 1.00 63.43 N ATOM 148 CA ALA A 9 -7.911 11.354 0.395 1.00 32.45 C ATOM 149 C ALA A 9 -8.148 10.290 -0.672 1.00 31.21 C ATOM 150 O ALA A 9 -7.964 9.097 -0.427 1.00 14.44 O ATOM 151 CB ALA A 9 -9.228 11.757 1.041 1.00 34.12 C ATOM 0 H ALA A 9 -7.838 13.346 -0.250 1.00 63.43 H new ATOM 0 HA ALA A 9 -7.260 10.928 1.159 1.00 32.45 H new ATOM 0 HB1 ALA A 9 -9.715 10.874 1.456 1.00 34.12 H new ATOM 0 HB2 ALA A 9 -9.037 12.475 1.838 1.00 34.12 H new ATOM 0 HB3 ALA A 9 -9.877 12.210 0.292 1.00 34.12 H new ATOM 157 N LYS A 10 -8.558 10.728 -1.857 1.00 0.34 N ATOM 158 CA LYS A 10 -8.820 9.815 -2.963 1.00 25.44 C ATOM 159 C LYS A 10 -7.577 8.995 -3.298 1.00 35.32 C ATOM 160 O LYS A 10 -7.673 7.822 -3.660 1.00 35.22 O ATOM 161 CB LYS A 10 -9.278 10.593 -4.198 1.00 41.50 C ATOM 162 CG LYS A 10 -10.376 11.602 -3.908 1.00 25.11 C ATOM 163 CD LYS A 10 -11.618 11.327 -4.739 1.00 31.24 C ATOM 164 CE LYS A 10 -11.360 11.559 -6.220 1.00 64.31 C ATOM 165 NZ LYS A 10 -11.471 10.299 -7.006 1.00 54.23 N ATOM 0 H LYS A 10 -8.716 11.711 -2.076 1.00 0.34 H new ATOM 0 HA LYS A 10 -9.613 9.133 -2.657 1.00 25.44 H new ATOM 0 HB2 LYS A 10 -8.422 11.113 -4.627 1.00 41.50 H new ATOM 0 HB3 LYS A 10 -9.633 9.888 -4.950 1.00 41.50 H new ATOM 0 HG2 LYS A 10 -10.631 11.570 -2.849 1.00 25.11 H new ATOM 0 HG3 LYS A 10 -10.012 12.608 -4.118 1.00 25.11 H new ATOM 0 HD2 LYS A 10 -11.942 10.298 -4.582 1.00 31.24 H new ATOM 0 HD3 LYS A 10 -12.431 11.972 -4.405 1.00 31.24 H new ATOM 0 HE2 LYS A 10 -12.072 12.290 -6.603 1.00 64.31 H new ATOM 0 HE3 LYS A 10 -10.365 11.984 -6.353 1.00 64.31 H new ATOM 0 HZ1 LYS A 10 -10.851 10.354 -7.839 1.00 54.23 H new ATOM 0 HZ2 LYS A 10 -11.184 9.494 -6.414 1.00 54.23 H new ATOM 0 HZ3 LYS A 10 -12.455 10.168 -7.315 1.00 54.23 H new ATOM 179 N LEU A 11 -6.412 9.619 -3.173 1.00 3.21 N ATOM 180 CA LEU A 11 -5.149 8.948 -3.461 1.00 21.44 C ATOM 181 C LEU A 11 -5.049 7.627 -2.703 1.00 73.34 C ATOM 182 O LEU A 11 -4.642 6.608 -3.261 1.00 31.13 O ATOM 183 CB LEU A 11 -3.971 9.850 -3.089 1.00 61.04 C ATOM 184 CG LEU A 11 -3.976 11.248 -3.709 1.00 60.23 C ATOM 185 CD1 LEU A 11 -2.687 11.983 -3.380 1.00 1.12 C ATOM 186 CD2 LEU A 11 -4.173 11.162 -5.216 1.00 52.35 C ATOM 0 H LEU A 11 -6.315 10.589 -2.874 1.00 3.21 H new ATOM 0 HA LEU A 11 -5.115 8.738 -4.530 1.00 21.44 H new ATOM 0 HB2 LEU A 11 -3.948 9.955 -2.004 1.00 61.04 H new ATOM 0 HB3 LEU A 11 -3.048 9.348 -3.380 1.00 61.04 H new ATOM 0 HG LEU A 11 -4.808 11.809 -3.285 1.00 60.23 H new ATOM 0 HD11 LEU A 11 -2.709 12.976 -3.830 1.00 1.12 H new ATOM 0 HD12 LEU A 11 -2.587 12.077 -2.299 1.00 1.12 H new ATOM 0 HD13 LEU A 11 -1.839 11.424 -3.775 1.00 1.12 H new ATOM 0 HD21 LEU A 11 -4.174 12.166 -5.641 1.00 52.35 H new ATOM 0 HD22 LEU A 11 -3.362 10.582 -5.657 1.00 52.35 H new ATOM 0 HD23 LEU A 11 -5.125 10.676 -5.431 1.00 52.35 H new ATOM 198 N PHE A 12 -5.428 7.651 -1.429 1.00 51.21 N ATOM 199 CA PHE A 12 -5.383 6.456 -0.595 1.00 51.34 C ATOM 200 C PHE A 12 -6.509 5.494 -0.963 1.00 30.41 C ATOM 201 O PHE A 12 -6.429 4.296 -0.692 1.00 11.03 O ATOM 202 CB PHE A 12 -5.485 6.836 0.884 1.00 64.33 C ATOM 203 CG PHE A 12 -4.316 7.641 1.377 1.00 23.20 C ATOM 204 CD1 PHE A 12 -3.024 7.312 1.001 1.00 20.14 C ATOM 205 CD2 PHE A 12 -4.510 8.726 2.217 1.00 61.52 C ATOM 206 CE1 PHE A 12 -1.947 8.051 1.455 1.00 25.43 C ATOM 207 CE2 PHE A 12 -3.437 9.468 2.674 1.00 64.34 C ATOM 208 CZ PHE A 12 -2.154 9.130 2.290 1.00 34.41 C ATOM 0 H PHE A 12 -5.770 8.485 -0.952 1.00 51.21 H new ATOM 0 HA PHE A 12 -4.430 5.957 -0.770 1.00 51.34 H new ATOM 0 HB2 PHE A 12 -6.401 7.405 1.043 1.00 64.33 H new ATOM 0 HB3 PHE A 12 -5.567 5.927 1.480 1.00 64.33 H new ATOM 0 HD1 PHE A 12 -2.856 6.470 0.346 1.00 20.14 H new ATOM 0 HD2 PHE A 12 -5.512 8.995 2.518 1.00 61.52 H new ATOM 0 HE1 PHE A 12 -0.944 7.784 1.156 1.00 25.43 H new ATOM 0 HE2 PHE A 12 -3.601 10.310 3.330 1.00 64.34 H new ATOM 0 HZ PHE A 12 -1.314 9.710 2.643 1.00 34.41 H new ATOM 218 N GLU A 13 -7.557 6.028 -1.582 1.00 63.31 N ATOM 219 CA GLU A 13 -8.700 5.217 -1.986 1.00 1.10 C ATOM 220 C GLU A 13 -8.280 4.147 -2.991 1.00 14.21 C ATOM 221 O GLU A 13 -8.729 3.005 -2.919 1.00 63.53 O ATOM 222 CB GLU A 13 -9.792 6.101 -2.591 1.00 33.54 C ATOM 223 CG GLU A 13 -11.191 5.758 -2.104 1.00 13.34 C ATOM 224 CD GLU A 13 -12.229 6.767 -2.556 1.00 50.30 C ATOM 225 OE1 GLU A 13 -12.694 7.560 -1.710 1.00 24.05 O ATOM 226 OE2 GLU A 13 -12.577 6.765 -3.754 1.00 63.24 O ATOM 0 H GLU A 13 -7.638 7.018 -1.815 1.00 63.31 H new ATOM 0 HA GLU A 13 -9.094 4.722 -1.098 1.00 1.10 H new ATOM 0 HB2 GLU A 13 -9.578 7.143 -2.352 1.00 33.54 H new ATOM 0 HB3 GLU A 13 -9.762 6.010 -3.677 1.00 33.54 H new ATOM 0 HG2 GLU A 13 -11.467 4.769 -2.470 1.00 13.34 H new ATOM 0 HG3 GLU A 13 -11.190 5.706 -1.015 1.00 13.34 H new ATOM 234 N GLU A 14 -7.417 4.530 -3.927 1.00 13.40 N ATOM 235 CA GLU A 14 -6.938 3.605 -4.947 1.00 61.24 C ATOM 236 C GLU A 14 -5.909 2.639 -4.367 1.00 32.05 C ATOM 237 O GLU A 14 -5.790 1.499 -4.815 1.00 35.24 O ATOM 238 CB GLU A 14 -6.326 4.375 -6.119 1.00 15.00 C ATOM 239 CG GLU A 14 -7.157 5.568 -6.563 1.00 64.42 C ATOM 240 CD GLU A 14 -6.990 5.876 -8.039 1.00 72.20 C ATOM 241 OE1 GLU A 14 -6.755 7.056 -8.374 1.00 11.51 O ATOM 242 OE2 GLU A 14 -7.094 4.939 -8.857 1.00 52.23 O ATOM 0 H GLU A 14 -7.036 5.473 -4.000 1.00 13.40 H new ATOM 0 HA GLU A 14 -7.790 3.028 -5.306 1.00 61.24 H new ATOM 0 HB2 GLU A 14 -5.332 4.720 -5.836 1.00 15.00 H new ATOM 0 HB3 GLU A 14 -6.200 3.696 -6.963 1.00 15.00 H new ATOM 0 HG2 GLU A 14 -8.209 5.373 -6.353 1.00 64.42 H new ATOM 0 HG3 GLU A 14 -6.872 6.443 -5.978 1.00 64.42 H new ATOM 250 N TRP A 15 -5.168 3.105 -3.367 1.00 4.41 N ATOM 251 CA TRP A 15 -4.148 2.283 -2.725 1.00 35.02 C ATOM 252 C TRP A 15 -4.738 0.963 -2.242 1.00 31.11 C ATOM 253 O TRP A 15 -4.264 -0.112 -2.609 1.00 5.00 O ATOM 254 CB TRP A 15 -3.523 3.036 -1.550 1.00 43.53 C ATOM 255 CG TRP A 15 -2.483 4.031 -1.969 1.00 10.43 C ATOM 256 CD1 TRP A 15 -2.348 4.606 -3.200 1.00 4.21 C ATOM 257 CD2 TRP A 15 -1.432 4.566 -1.156 1.00 33.11 C ATOM 258 NE1 TRP A 15 -1.276 5.467 -3.202 1.00 23.45 N ATOM 259 CE2 TRP A 15 -0.698 5.460 -1.960 1.00 54.23 C ATOM 260 CE3 TRP A 15 -1.041 4.378 0.172 1.00 52.41 C ATOM 261 CZ2 TRP A 15 0.403 6.162 -1.478 1.00 13.44 C ATOM 262 CZ3 TRP A 15 0.052 5.076 0.650 1.00 74.32 C ATOM 263 CH2 TRP A 15 0.763 5.959 -0.172 1.00 44.05 C ATOM 0 H TRP A 15 -5.254 4.046 -2.984 1.00 4.41 H new ATOM 0 HA TRP A 15 -3.374 2.066 -3.462 1.00 35.02 H new ATOM 0 HB2 TRP A 15 -4.309 3.553 -0.999 1.00 43.53 H new ATOM 0 HB3 TRP A 15 -3.073 2.317 -0.865 1.00 43.53 H new ATOM 0 HD1 TRP A 15 -2.989 4.413 -4.048 1.00 4.21 H new ATOM 0 HE1 TRP A 15 -0.962 6.021 -3.999 1.00 23.45 H new ATOM 0 HE3 TRP A 15 -1.583 3.699 0.814 1.00 52.41 H new ATOM 0 HZ2 TRP A 15 0.954 6.842 -2.111 1.00 13.44 H new ATOM 0 HZ3 TRP A 15 0.363 4.938 1.675 1.00 74.32 H new ATOM 0 HH2 TRP A 15 1.612 6.491 0.232 1.00 44.05 H new ATOM 274 N LYS A 16 -5.776 1.049 -1.416 1.00 51.44 N ATOM 275 CA LYS A 16 -6.432 -0.138 -0.884 1.00 3.14 C ATOM 276 C LYS A 16 -7.169 -0.894 -1.986 1.00 5.35 C ATOM 277 O LYS A 16 -7.132 -2.124 -2.042 1.00 52.44 O ATOM 278 CB LYS A 16 -7.413 0.249 0.225 1.00 1.34 C ATOM 279 CG LYS A 16 -8.466 1.250 -0.217 1.00 34.31 C ATOM 280 CD LYS A 16 -9.343 1.686 0.945 1.00 23.33 C ATOM 281 CE LYS A 16 -10.690 0.980 0.921 1.00 34.04 C ATOM 282 NZ LYS A 16 -11.751 1.788 1.586 1.00 24.31 N ATOM 0 H LYS A 16 -6.181 1.931 -1.101 1.00 51.44 H new ATOM 0 HA LYS A 16 -5.663 -0.791 -0.470 1.00 3.14 H new ATOM 0 HB2 LYS A 16 -7.909 -0.650 0.590 1.00 1.34 H new ATOM 0 HB3 LYS A 16 -6.855 0.667 1.063 1.00 1.34 H new ATOM 0 HG2 LYS A 16 -7.980 2.122 -0.654 1.00 34.31 H new ATOM 0 HG3 LYS A 16 -9.086 0.807 -0.996 1.00 34.31 H new ATOM 0 HD2 LYS A 16 -8.836 1.472 1.886 1.00 23.33 H new ATOM 0 HD3 LYS A 16 -9.495 2.764 0.903 1.00 23.33 H new ATOM 0 HE2 LYS A 16 -10.978 0.782 -0.111 1.00 34.04 H new ATOM 0 HE3 LYS A 16 -10.603 0.014 1.419 1.00 34.04 H new ATOM 0 HZ1 LYS A 16 -12.640 1.700 1.053 1.00 24.31 H new ATOM 0 HZ2 LYS A 16 -11.894 1.442 2.556 1.00 24.31 H new ATOM 0 HZ3 LYS A 16 -11.461 2.786 1.613 1.00 24.31 H new ATOM 296 N LYS A 17 -7.835 -0.151 -2.863 1.00 14.43 N ATOM 297 CA LYS A 17 -8.578 -0.749 -3.965 1.00 42.15 C ATOM 298 C LYS A 17 -7.679 -1.659 -4.796 1.00 3.04 C ATOM 299 O LYS A 17 -8.010 -2.819 -5.042 1.00 22.44 O ATOM 300 CB LYS A 17 -9.178 0.342 -4.855 1.00 13.32 C ATOM 301 CG LYS A 17 -10.692 0.288 -4.947 1.00 32.22 C ATOM 302 CD LYS A 17 -11.285 1.660 -5.221 1.00 10.11 C ATOM 303 CE LYS A 17 -12.027 2.199 -4.009 1.00 12.41 C ATOM 304 NZ LYS A 17 -13.357 1.552 -3.839 1.00 50.12 N ATOM 0 H LYS A 17 -7.875 0.868 -2.832 1.00 14.43 H new ATOM 0 HA LYS A 17 -9.384 -1.349 -3.543 1.00 42.15 H new ATOM 0 HB2 LYS A 17 -8.880 1.317 -4.470 1.00 13.32 H new ATOM 0 HB3 LYS A 17 -8.758 0.253 -5.857 1.00 13.32 H new ATOM 0 HG2 LYS A 17 -10.985 -0.400 -5.740 1.00 32.22 H new ATOM 0 HG3 LYS A 17 -11.100 -0.106 -4.016 1.00 32.22 H new ATOM 0 HD2 LYS A 17 -10.490 2.352 -5.499 1.00 10.11 H new ATOM 0 HD3 LYS A 17 -11.967 1.600 -6.069 1.00 10.11 H new ATOM 0 HE2 LYS A 17 -11.427 2.036 -3.114 1.00 12.41 H new ATOM 0 HE3 LYS A 17 -12.158 3.276 -4.113 1.00 12.41 H new ATOM 0 HZ1 LYS A 17 -13.831 1.947 -3.002 1.00 50.12 H new ATOM 0 HZ2 LYS A 17 -13.939 1.729 -4.682 1.00 50.12 H new ATOM 0 HZ3 LYS A 17 -13.231 0.527 -3.714 1.00 50.12 H new ATOM 318 N LEU A 18 -6.539 -1.127 -5.225 1.00 73.44 N ATOM 319 CA LEU A 18 -5.592 -1.892 -6.027 1.00 61.15 C ATOM 320 C LEU A 18 -5.106 -3.123 -5.270 1.00 32.05 C ATOM 321 O LEU A 18 -4.870 -4.176 -5.861 1.00 30.32 O ATOM 322 CB LEU A 18 -4.401 -1.016 -6.418 1.00 45.21 C ATOM 323 CG LEU A 18 -4.720 0.210 -7.276 1.00 20.45 C ATOM 324 CD1 LEU A 18 -3.792 1.362 -6.926 1.00 44.04 C ATOM 325 CD2 LEU A 18 -4.617 -0.132 -8.754 1.00 24.41 C ATOM 0 H LEU A 18 -6.249 -0.169 -5.030 1.00 73.44 H new ATOM 0 HA LEU A 18 -6.104 -2.223 -6.931 1.00 61.15 H new ATOM 0 HB2 LEU A 18 -3.910 -0.678 -5.506 1.00 45.21 H new ATOM 0 HB3 LEU A 18 -3.683 -1.634 -6.957 1.00 45.21 H new ATOM 0 HG LEU A 18 -5.744 0.520 -7.067 1.00 20.45 H new ATOM 0 HD11 LEU A 18 -4.034 2.225 -7.546 1.00 44.04 H new ATOM 0 HD12 LEU A 18 -3.917 1.624 -5.875 1.00 44.04 H new ATOM 0 HD13 LEU A 18 -2.759 1.064 -7.105 1.00 44.04 H new ATOM 0 HD21 LEU A 18 -4.847 0.752 -9.349 1.00 24.41 H new ATOM 0 HD22 LEU A 18 -3.605 -0.468 -8.980 1.00 24.41 H new ATOM 0 HD23 LEU A 18 -5.325 -0.925 -8.994 1.00 24.41 H new ATOM 337 N ALA A 19 -4.961 -2.983 -3.956 1.00 14.42 N ATOM 338 CA ALA A 19 -4.507 -4.084 -3.115 1.00 74.52 C ATOM 339 C ALA A 19 -5.602 -5.133 -2.947 1.00 3.24 C ATOM 340 O ALA A 19 -5.317 -6.318 -2.782 1.00 23.11 O ATOM 341 CB ALA A 19 -4.060 -3.563 -1.758 1.00 41.31 C ATOM 0 H ALA A 19 -5.151 -2.118 -3.451 1.00 14.42 H new ATOM 0 HA ALA A 19 -3.658 -4.558 -3.607 1.00 74.52 H new ATOM 0 HB1 ALA A 19 -3.724 -4.396 -1.141 1.00 41.31 H new ATOM 0 HB2 ALA A 19 -3.241 -2.857 -1.891 1.00 41.31 H new ATOM 0 HB3 ALA A 19 -4.895 -3.062 -1.268 1.00 41.31 H new ATOM 347 N GLU A 20 -6.854 -4.687 -2.989 1.00 24.31 N ATOM 348 CA GLU A 20 -7.990 -5.589 -2.839 1.00 13.40 C ATOM 349 C GLU A 20 -7.963 -6.680 -3.905 1.00 33.54 C ATOM 350 O GLU A 20 -8.094 -7.864 -3.598 1.00 33.04 O ATOM 351 CB GLU A 20 -9.303 -4.807 -2.926 1.00 32.53 C ATOM 352 CG GLU A 20 -9.484 -3.794 -1.807 1.00 44.14 C ATOM 353 CD GLU A 20 -10.614 -4.161 -0.866 1.00 53.32 C ATOM 354 OE1 GLU A 20 -10.324 -4.558 0.282 1.00 43.21 O ATOM 355 OE2 GLU A 20 -11.788 -4.049 -1.276 1.00 34.05 O ATOM 0 H GLU A 20 -7.107 -3.708 -3.125 1.00 24.31 H new ATOM 0 HA GLU A 20 -7.920 -6.062 -1.859 1.00 13.40 H new ATOM 0 HB2 GLU A 20 -9.345 -4.289 -3.884 1.00 32.53 H new ATOM 0 HB3 GLU A 20 -10.136 -5.509 -2.907 1.00 32.53 H new ATOM 0 HG2 GLU A 20 -8.556 -3.714 -1.241 1.00 44.14 H new ATOM 0 HG3 GLU A 20 -9.680 -2.812 -2.239 1.00 44.14 H new ATOM 363 N GLU A 21 -7.792 -6.271 -5.158 1.00 62.32 N ATOM 364 CA GLU A 21 -7.750 -7.214 -6.270 1.00 1.23 C ATOM 365 C GLU A 21 -6.426 -7.973 -6.288 1.00 61.24 C ATOM 366 O GLU A 21 -6.402 -9.199 -6.402 1.00 51.45 O ATOM 367 CB GLU A 21 -7.949 -6.480 -7.598 1.00 22.11 C ATOM 368 CG GLU A 21 -9.199 -5.617 -7.635 1.00 4.21 C ATOM 369 CD GLU A 21 -10.270 -6.180 -8.548 1.00 0.43 C ATOM 370 OE1 GLU A 21 -11.339 -6.572 -8.036 1.00 10.25 O ATOM 371 OE2 GLU A 21 -10.039 -6.229 -9.774 1.00 51.33 O ATOM 0 H GLU A 21 -7.680 -5.294 -5.429 1.00 62.32 H new ATOM 0 HA GLU A 21 -8.559 -7.932 -6.136 1.00 1.23 H new ATOM 0 HB2 GLU A 21 -7.079 -5.853 -7.791 1.00 22.11 H new ATOM 0 HB3 GLU A 21 -7.999 -7.212 -8.404 1.00 22.11 H new ATOM 0 HG2 GLU A 21 -9.600 -5.522 -6.626 1.00 4.21 H new ATOM 0 HG3 GLU A 21 -8.933 -4.614 -7.968 1.00 4.21 H new ATOM 379 N ALA A 22 -5.325 -7.235 -6.177 1.00 75.53 N ATOM 380 CA ALA A 22 -3.998 -7.838 -6.179 1.00 71.52 C ATOM 381 C ALA A 22 -3.866 -8.880 -5.074 1.00 73.41 C ATOM 382 O ALA A 22 -3.128 -9.854 -5.211 1.00 43.32 O ATOM 383 CB ALA A 22 -2.932 -6.764 -6.026 1.00 11.23 C ATOM 0 H ALA A 22 -5.327 -6.219 -6.085 1.00 75.53 H new ATOM 0 HA ALA A 22 -3.856 -8.342 -7.135 1.00 71.52 H new ATOM 0 HB1 ALA A 22 -1.945 -7.228 -6.029 1.00 11.23 H new ATOM 0 HB2 ALA A 22 -3.004 -6.059 -6.854 1.00 11.23 H new ATOM 0 HB3 ALA A 22 -3.081 -6.235 -5.085 1.00 11.23 H new ATOM 389 N ALA A 23 -4.587 -8.668 -3.978 1.00 74.01 N ATOM 390 CA ALA A 23 -4.551 -9.589 -2.849 1.00 14.12 C ATOM 391 C ALA A 23 -5.249 -10.901 -3.189 1.00 41.21 C ATOM 392 O ALA A 23 -4.670 -11.979 -3.053 1.00 50.04 O ATOM 393 CB ALA A 23 -5.191 -8.951 -1.626 1.00 14.53 C ATOM 0 H ALA A 23 -5.204 -7.866 -3.848 1.00 74.01 H new ATOM 0 HA ALA A 23 -3.507 -9.810 -2.626 1.00 14.12 H new ATOM 0 HB1 ALA A 23 -5.157 -9.651 -0.791 1.00 14.53 H new ATOM 0 HB2 ALA A 23 -4.647 -8.044 -1.362 1.00 14.53 H new ATOM 0 HB3 ALA A 23 -6.229 -8.700 -1.847 1.00 14.53 H new ATOM 399 N LYS A 24 -6.498 -10.804 -3.633 1.00 54.11 N ATOM 400 CA LYS A 24 -7.277 -11.983 -3.993 1.00 43.33 C ATOM 401 C LYS A 24 -6.629 -12.728 -5.156 1.00 43.15 C ATOM 402 O LYS A 24 -6.665 -13.958 -5.216 1.00 15.12 O ATOM 403 CB LYS A 24 -8.706 -11.582 -4.364 1.00 54.22 C ATOM 404 CG LYS A 24 -8.780 -10.555 -5.482 1.00 22.33 C ATOM 405 CD LYS A 24 -10.218 -10.225 -5.841 1.00 74.15 C ATOM 406 CE LYS A 24 -10.755 -11.163 -6.911 1.00 44.24 C ATOM 407 NZ LYS A 24 -12.221 -11.385 -6.772 1.00 10.30 N ATOM 0 H LYS A 24 -6.993 -9.920 -3.752 1.00 54.11 H new ATOM 0 HA LYS A 24 -7.305 -12.647 -3.129 1.00 43.33 H new ATOM 0 HB2 LYS A 24 -9.258 -12.473 -4.663 1.00 54.22 H new ATOM 0 HB3 LYS A 24 -9.203 -11.181 -3.480 1.00 54.22 H new ATOM 0 HG2 LYS A 24 -8.262 -9.646 -5.177 1.00 22.33 H new ATOM 0 HG3 LYS A 24 -8.263 -10.936 -6.362 1.00 22.33 H new ATOM 0 HD2 LYS A 24 -10.841 -10.293 -4.950 1.00 74.15 H new ATOM 0 HD3 LYS A 24 -10.279 -9.196 -6.194 1.00 74.15 H new ATOM 0 HE2 LYS A 24 -10.543 -10.748 -7.897 1.00 44.24 H new ATOM 0 HE3 LYS A 24 -10.236 -12.119 -6.849 1.00 44.24 H new ATOM 0 HZ1 LYS A 24 -12.547 -12.030 -7.520 1.00 10.30 H new ATOM 0 HZ2 LYS A 24 -12.422 -11.804 -5.842 1.00 10.30 H new ATOM 0 HZ3 LYS A 24 -12.719 -10.476 -6.857 1.00 10.30 H new ATOM 421 N LEU A 25 -6.036 -11.976 -6.077 1.00 60.41 N ATOM 422 CA LEU A 25 -5.379 -12.565 -7.239 1.00 5.14 C ATOM 423 C LEU A 25 -4.023 -13.150 -6.857 1.00 65.41 C ATOM 424 O LEU A 25 -3.615 -14.191 -7.376 1.00 34.42 O ATOM 425 CB LEU A 25 -5.204 -11.516 -8.337 1.00 44.23 C ATOM 426 CG LEU A 25 -6.260 -11.519 -9.443 1.00 13.24 C ATOM 427 CD1 LEU A 25 -5.965 -10.434 -10.467 1.00 50.21 C ATOM 428 CD2 LEU A 25 -6.328 -12.883 -10.113 1.00 22.52 C ATOM 0 H LEU A 25 -5.997 -10.957 -6.042 1.00 60.41 H new ATOM 0 HA LEU A 25 -6.010 -13.371 -7.614 1.00 5.14 H new ATOM 0 HB2 LEU A 25 -5.197 -10.530 -7.872 1.00 44.23 H new ATOM 0 HB3 LEU A 25 -4.226 -11.659 -8.796 1.00 44.23 H new ATOM 0 HG LEU A 25 -7.230 -11.310 -8.992 1.00 13.24 H new ATOM 0 HD11 LEU A 25 -6.727 -10.452 -11.246 1.00 50.21 H new ATOM 0 HD12 LEU A 25 -5.970 -9.460 -9.977 1.00 50.21 H new ATOM 0 HD13 LEU A 25 -4.986 -10.611 -10.913 1.00 50.21 H new ATOM 0 HD21 LEU A 25 -7.085 -12.866 -10.897 1.00 22.52 H new ATOM 0 HD22 LEU A 25 -5.358 -13.123 -10.550 1.00 22.52 H new ATOM 0 HD23 LEU A 25 -6.589 -13.639 -9.373 1.00 22.52 H new ATOM 440 N LEU A 26 -3.328 -12.477 -5.947 1.00 42.02 N ATOM 441 CA LEU A 26 -2.018 -12.930 -5.494 1.00 21.34 C ATOM 442 C LEU A 26 -2.062 -14.400 -5.089 1.00 24.40 C ATOM 443 O LEU A 26 -1.293 -15.217 -5.597 1.00 31.33 O ATOM 444 CB LEU A 26 -1.541 -12.079 -4.317 1.00 4.32 C ATOM 445 CG LEU A 26 -0.527 -10.983 -4.648 1.00 60.34 C ATOM 446 CD1 LEU A 26 -0.651 -9.827 -3.669 1.00 15.21 C ATOM 447 CD2 LEU A 26 0.888 -11.544 -4.637 1.00 41.12 C ATOM 0 H LEU A 26 -3.650 -11.615 -5.508 1.00 42.02 H new ATOM 0 HA LEU A 26 -1.316 -12.820 -6.321 1.00 21.34 H new ATOM 0 HB2 LEU A 26 -2.412 -11.613 -3.855 1.00 4.32 H new ATOM 0 HB3 LEU A 26 -1.100 -12.741 -3.571 1.00 4.32 H new ATOM 0 HG LEU A 26 -0.740 -10.608 -5.649 1.00 60.34 H new ATOM 0 HD11 LEU A 26 0.079 -9.057 -3.921 1.00 15.21 H new ATOM 0 HD12 LEU A 26 -1.655 -9.408 -3.726 1.00 15.21 H new ATOM 0 HD13 LEU A 26 -0.465 -10.186 -2.657 1.00 15.21 H new ATOM 0 HD21 LEU A 26 1.596 -10.750 -4.875 1.00 41.12 H new ATOM 0 HD22 LEU A 26 1.112 -11.946 -3.649 1.00 41.12 H new ATOM 0 HD23 LEU A 26 0.970 -12.338 -5.379 1.00 41.12 H new ATOM 459 N GLU A 27 -2.966 -14.731 -4.172 1.00 54.12 N ATOM 460 CA GLU A 27 -3.109 -16.102 -3.700 1.00 71.54 C ATOM 461 C GLU A 27 -3.962 -16.922 -4.665 1.00 24.42 C ATOM 462 O GLU A 27 -4.083 -18.139 -4.522 1.00 61.31 O ATOM 463 CB GLU A 27 -3.738 -16.123 -2.306 1.00 15.55 C ATOM 464 CG GLU A 27 -5.036 -15.339 -2.210 1.00 52.13 C ATOM 465 CD GLU A 27 -6.024 -15.963 -1.244 1.00 72.21 C ATOM 466 OE1 GLU A 27 -5.734 -15.982 -0.029 1.00 4.12 O ATOM 467 OE2 GLU A 27 -7.088 -16.432 -1.701 1.00 40.52 O ATOM 0 H GLU A 27 -3.610 -14.068 -3.742 1.00 54.12 H new ATOM 0 HA GLU A 27 -2.115 -16.547 -3.649 1.00 71.54 H new ATOM 0 HB2 GLU A 27 -3.926 -17.157 -2.018 1.00 15.55 H new ATOM 0 HB3 GLU A 27 -3.025 -15.717 -1.589 1.00 15.55 H new ATOM 0 HG2 GLU A 27 -4.818 -14.319 -1.892 1.00 52.13 H new ATOM 0 HG3 GLU A 27 -5.491 -15.275 -3.198 1.00 52.13 H new ATOM 475 N GLY A 28 -4.550 -16.247 -5.647 1.00 61.03 N ATOM 476 CA GLY A 28 -5.383 -16.929 -6.621 1.00 53.22 C ATOM 477 C GLY A 28 -6.491 -17.736 -5.972 1.00 42.33 C ATOM 478 O GLY A 28 -6.990 -18.697 -6.555 1.00 33.43 O ATOM 0 H GLY A 28 -4.465 -15.240 -5.786 1.00 61.03 H new ATOM 0 HA2 GLY A 28 -5.821 -16.195 -7.298 1.00 53.22 H new ATOM 0 HA3 GLY A 28 -4.762 -17.590 -7.226 1.00 53.22 H new ATOM 482 N GLY A 29 -6.874 -17.346 -4.759 1.00 64.14 N ATOM 483 CA GLY A 29 -7.924 -18.052 -4.051 1.00 32.35 C ATOM 484 C GLY A 29 -7.381 -19.112 -3.114 1.00 4.35 C ATOM 485 O GLY A 29 -8.127 -19.952 -2.615 1.00 33.44 O ATOM 0 H GLY A 29 -6.475 -16.554 -4.255 1.00 64.14 H new ATOM 0 HA2 GLY A 29 -8.517 -17.337 -3.481 1.00 32.35 H new ATOM 0 HA3 GLY A 29 -8.594 -18.519 -4.773 1.00 32.35 H new ATOM 489 N GLY A 30 -6.073 -19.074 -2.874 1.00 12.30 N ATOM 490 CA GLY A 30 -5.451 -20.044 -1.992 1.00 63.12 C ATOM 491 C GLY A 30 -4.436 -19.414 -1.060 1.00 4.42 C ATOM 492 O GLY A 30 -4.785 -18.590 -0.217 1.00 12.10 O ATOM 0 H GLY A 30 -5.433 -18.388 -3.275 1.00 12.30 H new ATOM 0 HA2 GLY A 30 -6.222 -20.541 -1.402 1.00 63.12 H new ATOM 0 HA3 GLY A 30 -4.962 -20.813 -2.590 1.00 63.12 H new ATOM 496 N GLY A 31 -3.173 -19.805 -1.211 1.00 40.22 N ATOM 497 CA GLY A 31 -2.123 -19.264 -0.367 1.00 72.14 C ATOM 498 C GLY A 31 -2.126 -19.870 1.022 1.00 43.11 C ATOM 499 O GLY A 31 -3.085 -19.709 1.775 1.00 32.51 O ATOM 0 H GLY A 31 -2.859 -20.486 -1.902 1.00 40.22 H new ATOM 0 HA2 GLY A 31 -1.156 -19.443 -0.836 1.00 72.14 H new ATOM 0 HA3 GLY A 31 -2.244 -18.184 -0.289 1.00 72.14 H new ATOM 503 N GLY A 32 -1.049 -20.570 1.363 1.00 45.01 N ATOM 504 CA GLY A 32 -0.951 -21.194 2.670 1.00 64.04 C ATOM 505 C GLY A 32 -2.160 -22.048 2.996 1.00 72.54 C ATOM 506 O GLY A 32 -2.736 -21.935 4.077 1.00 2.41 O ATOM 0 H GLY A 32 -0.242 -20.716 0.757 1.00 45.01 H new ATOM 0 HA2 GLY A 32 -0.053 -21.811 2.708 1.00 64.04 H new ATOM 0 HA3 GLY A 32 -0.840 -20.421 3.431 1.00 64.04 H new ATOM 510 N GLY A 33 -2.549 -22.905 2.056 1.00 4.41 N ATOM 511 CA GLY A 33 -3.696 -23.768 2.268 1.00 75.30 C ATOM 512 C GLY A 33 -5.011 -23.046 2.050 1.00 60.40 C ATOM 513 O GLY A 33 -5.824 -23.459 1.223 1.00 10.32 O ATOM 0 H GLY A 33 -2.090 -23.017 1.152 1.00 4.41 H new ATOM 0 HA2 GLY A 33 -3.636 -24.620 1.591 1.00 75.30 H new ATOM 0 HA3 GLY A 33 -3.666 -24.164 3.283 1.00 75.30 H new ATOM 517 N GLY A 34 -5.224 -21.966 2.795 1.00 5.00 N ATOM 518 CA GLY A 34 -6.452 -21.205 2.665 1.00 42.42 C ATOM 519 C GLY A 34 -6.198 -19.747 2.336 1.00 12.14 C ATOM 520 O GLY A 34 -6.740 -19.218 1.367 1.00 64.42 O ATOM 0 H GLY A 34 -4.567 -21.604 3.487 1.00 5.00 H new ATOM 0 HA2 GLY A 34 -7.070 -21.648 1.884 1.00 42.42 H new ATOM 0 HA3 GLY A 34 -7.017 -21.271 3.595 1.00 42.42 H new ATOM 524 N GLY A 35 -5.372 -19.094 3.149 1.00 54.00 N ATOM 525 CA GLY A 35 -5.065 -17.693 2.924 1.00 10.42 C ATOM 526 C GLY A 35 -4.330 -17.066 4.093 1.00 44.25 C ATOM 527 O GLY A 35 -4.528 -15.891 4.399 1.00 3.11 O ATOM 0 H GLY A 35 -4.911 -19.510 3.958 1.00 54.00 H new ATOM 0 HA2 GLY A 35 -4.458 -17.597 2.024 1.00 10.42 H new ATOM 0 HA3 GLY A 35 -5.990 -17.146 2.745 1.00 10.42 H new ATOM 531 N GLU A 36 -3.481 -17.853 4.747 1.00 33.30 N ATOM 532 CA GLU A 36 -2.717 -17.367 5.890 1.00 30.41 C ATOM 533 C GLU A 36 -1.551 -16.495 5.434 1.00 52.31 C ATOM 534 O GLU A 36 -1.108 -15.603 6.159 1.00 55.23 O ATOM 535 CB GLU A 36 -2.195 -18.542 6.720 1.00 63.44 C ATOM 536 CG GLU A 36 -1.181 -18.139 7.776 1.00 41.34 C ATOM 537 CD GLU A 36 -0.711 -19.313 8.612 1.00 14.23 C ATOM 538 OE1 GLU A 36 0.441 -19.756 8.420 1.00 50.34 O ATOM 539 OE2 GLU A 36 -1.495 -19.790 9.459 1.00 12.21 O ATOM 0 H GLU A 36 -3.305 -18.828 4.505 1.00 33.30 H new ATOM 0 HA GLU A 36 -3.381 -16.762 6.507 1.00 30.41 H new ATOM 0 HB2 GLU A 36 -3.037 -19.035 7.206 1.00 63.44 H new ATOM 0 HB3 GLU A 36 -1.740 -19.274 6.052 1.00 63.44 H new ATOM 0 HG2 GLU A 36 -0.322 -17.676 7.291 1.00 41.34 H new ATOM 0 HG3 GLU A 36 -1.622 -17.386 8.429 1.00 41.34 H new ATOM 547 N LEU A 37 -1.059 -16.758 4.229 1.00 21.31 N ATOM 548 CA LEU A 37 0.056 -15.998 3.674 1.00 12.04 C ATOM 549 C LEU A 37 -0.411 -14.638 3.167 1.00 51.10 C ATOM 550 O LEU A 37 0.064 -13.599 3.622 1.00 55.12 O ATOM 551 CB LEU A 37 0.717 -16.780 2.538 1.00 53.21 C ATOM 552 CG LEU A 37 0.740 -18.301 2.694 1.00 13.11 C ATOM 553 CD1 LEU A 37 1.497 -18.944 1.543 1.00 63.44 C ATOM 554 CD2 LEU A 37 1.361 -18.691 4.027 1.00 5.43 C ATOM 0 H LEU A 37 -1.415 -17.492 3.617 1.00 21.31 H new ATOM 0 HA LEU A 37 0.785 -15.838 4.468 1.00 12.04 H new ATOM 0 HB2 LEU A 37 0.201 -16.538 1.609 1.00 53.21 H new ATOM 0 HB3 LEU A 37 1.744 -16.430 2.433 1.00 53.21 H new ATOM 0 HG LEU A 37 -0.287 -18.665 2.674 1.00 13.11 H new ATOM 0 HD11 LEU A 37 1.503 -20.026 1.671 1.00 63.44 H new ATOM 0 HD12 LEU A 37 1.009 -18.693 0.601 1.00 63.44 H new ATOM 0 HD13 LEU A 37 2.522 -18.575 1.530 1.00 63.44 H new ATOM 0 HD21 LEU A 37 1.369 -19.777 4.121 1.00 5.43 H new ATOM 0 HD22 LEU A 37 2.383 -18.315 4.076 1.00 5.43 H new ATOM 0 HD23 LEU A 37 0.777 -18.261 4.840 1.00 5.43 H new ATOM 566 N MET A 38 -1.346 -14.654 2.223 1.00 75.32 N ATOM 567 CA MET A 38 -1.881 -13.421 1.657 1.00 42.35 C ATOM 568 C MET A 38 -2.421 -12.508 2.753 1.00 44.43 C ATOM 569 O MET A 38 -2.457 -11.288 2.596 1.00 40.44 O ATOM 570 CB MET A 38 -2.988 -13.736 0.648 1.00 12.44 C ATOM 571 CG MET A 38 -3.593 -12.498 0.005 1.00 34.41 C ATOM 572 SD MET A 38 -5.373 -12.379 0.271 1.00 2.12 S ATOM 573 CE MET A 38 -5.456 -12.475 2.057 1.00 34.13 C ATOM 0 H MET A 38 -1.749 -15.507 1.834 1.00 75.32 H new ATOM 0 HA MET A 38 -1.069 -12.904 1.146 1.00 42.35 H new ATOM 0 HB2 MET A 38 -2.584 -14.381 -0.133 1.00 12.44 H new ATOM 0 HB3 MET A 38 -3.776 -14.298 1.149 1.00 12.44 H new ATOM 0 HG2 MET A 38 -3.109 -11.609 0.409 1.00 34.41 H new ATOM 0 HG3 MET A 38 -3.389 -12.513 -1.066 1.00 34.41 H new ATOM 0 HE1 MET A 38 -6.488 -12.344 2.381 1.00 34.13 H new ATOM 0 HE2 MET A 38 -5.093 -13.449 2.386 1.00 34.13 H new ATOM 0 HE3 MET A 38 -4.837 -11.691 2.493 1.00 34.13 H new ATOM 583 N LYS A 39 -2.838 -13.107 3.862 1.00 55.01 N ATOM 584 CA LYS A 39 -3.375 -12.347 4.986 1.00 72.50 C ATOM 585 C LYS A 39 -2.366 -11.314 5.476 1.00 74.23 C ATOM 586 O LYS A 39 -2.742 -10.271 6.014 1.00 21.54 O ATOM 587 CB LYS A 39 -3.753 -13.291 6.131 1.00 72.12 C ATOM 588 CG LYS A 39 -4.416 -12.589 7.303 1.00 11.44 C ATOM 589 CD LYS A 39 -3.859 -13.075 8.632 1.00 52.25 C ATOM 590 CE LYS A 39 -4.711 -14.190 9.217 1.00 33.41 C ATOM 591 NZ LYS A 39 -3.900 -15.143 10.024 1.00 53.13 N ATOM 0 H LYS A 39 -2.815 -14.116 4.008 1.00 55.01 H new ATOM 0 HA LYS A 39 -4.268 -11.823 4.645 1.00 72.50 H new ATOM 0 HB2 LYS A 39 -4.426 -14.059 5.750 1.00 72.12 H new ATOM 0 HB3 LYS A 39 -2.855 -13.799 6.483 1.00 72.12 H new ATOM 0 HG2 LYS A 39 -4.266 -11.513 7.216 1.00 11.44 H new ATOM 0 HG3 LYS A 39 -5.491 -12.764 7.272 1.00 11.44 H new ATOM 0 HD2 LYS A 39 -2.838 -13.431 8.492 1.00 52.25 H new ATOM 0 HD3 LYS A 39 -3.813 -12.243 9.335 1.00 52.25 H new ATOM 0 HE2 LYS A 39 -5.493 -13.759 9.842 1.00 33.41 H new ATOM 0 HE3 LYS A 39 -5.208 -14.729 8.410 1.00 33.41 H new ATOM 0 HZ1 LYS A 39 -4.517 -15.888 10.405 1.00 53.13 H new ATOM 0 HZ2 LYS A 39 -3.169 -15.573 9.422 1.00 53.13 H new ATOM 0 HZ3 LYS A 39 -3.446 -14.634 10.809 1.00 53.13 H new ATOM 605 N LEU A 40 -1.086 -11.608 5.285 1.00 5.52 N ATOM 606 CA LEU A 40 -0.022 -10.702 5.707 1.00 63.21 C ATOM 607 C LEU A 40 0.071 -9.500 4.773 1.00 71.21 C ATOM 608 O LEU A 40 0.214 -8.361 5.223 1.00 25.54 O ATOM 609 CB LEU A 40 1.318 -11.440 5.742 1.00 70.03 C ATOM 610 CG LEU A 40 1.857 -11.785 7.131 1.00 63.12 C ATOM 611 CD1 LEU A 40 3.060 -12.709 7.021 1.00 24.03 C ATOM 612 CD2 LEU A 40 2.224 -10.519 7.891 1.00 30.40 C ATOM 0 H LEU A 40 -0.758 -12.466 4.841 1.00 5.52 H new ATOM 0 HA LEU A 40 -0.259 -10.343 6.709 1.00 63.21 H new ATOM 0 HB2 LEU A 40 1.216 -12.364 5.174 1.00 70.03 H new ATOM 0 HB3 LEU A 40 2.060 -10.830 5.227 1.00 70.03 H new ATOM 0 HG LEU A 40 1.074 -12.303 7.685 1.00 63.12 H new ATOM 0 HD11 LEU A 40 3.431 -12.944 8.019 1.00 24.03 H new ATOM 0 HD12 LEU A 40 2.767 -13.630 6.517 1.00 24.03 H new ATOM 0 HD13 LEU A 40 3.846 -12.216 6.449 1.00 24.03 H new ATOM 0 HD21 LEU A 40 2.606 -10.784 8.877 1.00 30.40 H new ATOM 0 HD22 LEU A 40 2.990 -9.973 7.340 1.00 30.40 H new ATOM 0 HD23 LEU A 40 1.340 -9.891 8.001 1.00 30.40 H new ATOM 624 N CYS A 41 -0.013 -9.759 3.473 1.00 63.02 N ATOM 625 CA CYS A 41 0.060 -8.697 2.475 1.00 4.54 C ATOM 626 C CYS A 41 -1.241 -7.903 2.430 1.00 71.54 C ATOM 627 O CYS A 41 -1.247 -6.724 2.079 1.00 12.45 O ATOM 628 CB CYS A 41 0.362 -9.284 1.096 1.00 32.31 C ATOM 629 SG CYS A 41 1.720 -10.479 1.084 1.00 41.14 S ATOM 0 H CYS A 41 -0.132 -10.695 3.085 1.00 63.02 H new ATOM 0 HA CYS A 41 0.867 -8.021 2.758 1.00 4.54 H new ATOM 0 HB2 CYS A 41 -0.537 -9.768 0.714 1.00 32.31 H new ATOM 0 HB3 CYS A 41 0.602 -8.471 0.411 1.00 32.31 H new ATOM 0 HG CYS A 41 2.371 -10.385 -0.037 1.00 41.14 H new ATOM 635 N GLU A 42 -2.341 -8.560 2.785 1.00 12.42 N ATOM 636 CA GLU A 42 -3.649 -7.914 2.782 1.00 62.21 C ATOM 637 C GLU A 42 -3.637 -6.655 3.643 1.00 1.30 C ATOM 638 O GLU A 42 -4.428 -5.737 3.428 1.00 3.32 O ATOM 639 CB GLU A 42 -4.721 -8.882 3.290 1.00 43.44 C ATOM 640 CG GLU A 42 -6.097 -8.250 3.422 1.00 24.44 C ATOM 641 CD GLU A 42 -7.158 -9.250 3.838 1.00 34.15 C ATOM 642 OE1 GLU A 42 -6.791 -10.319 4.368 1.00 3.04 O ATOM 643 OE2 GLU A 42 -8.356 -8.962 3.636 1.00 61.13 O ATOM 0 H GLU A 42 -2.353 -9.537 3.078 1.00 12.42 H new ATOM 0 HA GLU A 42 -3.882 -7.629 1.756 1.00 62.21 H new ATOM 0 HB2 GLU A 42 -4.784 -9.731 2.609 1.00 43.44 H new ATOM 0 HB3 GLU A 42 -4.415 -9.273 4.260 1.00 43.44 H new ATOM 0 HG2 GLU A 42 -6.054 -7.444 4.155 1.00 24.44 H new ATOM 0 HG3 GLU A 42 -6.380 -7.800 2.470 1.00 24.44 H new ATOM 651 N GLU A 43 -2.734 -6.621 4.617 1.00 12.34 N ATOM 652 CA GLU A 43 -2.619 -5.474 5.512 1.00 73.02 C ATOM 653 C GLU A 43 -2.431 -4.183 4.720 1.00 75.20 C ATOM 654 O GLU A 43 -2.820 -3.106 5.169 1.00 54.30 O ATOM 655 CB GLU A 43 -1.449 -5.668 6.479 1.00 61.42 C ATOM 656 CG GLU A 43 -1.512 -6.971 7.258 1.00 62.02 C ATOM 657 CD GLU A 43 -1.867 -6.760 8.718 1.00 64.44 C ATOM 658 OE1 GLU A 43 -2.694 -5.870 9.004 1.00 41.12 O ATOM 659 OE2 GLU A 43 -1.318 -7.487 9.572 1.00 35.53 O ATOM 0 H GLU A 43 -2.072 -7.373 4.807 1.00 12.34 H new ATOM 0 HA GLU A 43 -3.544 -5.398 6.084 1.00 73.02 H new ATOM 0 HB2 GLU A 43 -0.515 -5.635 5.917 1.00 61.42 H new ATOM 0 HB3 GLU A 43 -1.428 -4.835 7.182 1.00 61.42 H new ATOM 0 HG2 GLU A 43 -2.250 -7.629 6.800 1.00 62.02 H new ATOM 0 HG3 GLU A 43 -0.549 -7.477 7.191 1.00 62.02 H new ATOM 667 N ALA A 44 -1.832 -4.301 3.540 1.00 33.44 N ATOM 668 CA ALA A 44 -1.594 -3.146 2.685 1.00 50.42 C ATOM 669 C ALA A 44 -2.876 -2.349 2.469 1.00 70.01 C ATOM 670 O ALA A 44 -2.876 -1.121 2.551 1.00 14.34 O ATOM 671 CB ALA A 44 -1.014 -3.588 1.349 1.00 15.32 C ATOM 0 H ALA A 44 -1.503 -5.186 3.154 1.00 33.44 H new ATOM 0 HA ALA A 44 -0.874 -2.498 3.185 1.00 50.42 H new ATOM 0 HB1 ALA A 44 -0.841 -2.714 0.720 1.00 15.32 H new ATOM 0 HB2 ALA A 44 -0.070 -4.107 1.516 1.00 15.32 H new ATOM 0 HB3 ALA A 44 -1.715 -4.259 0.852 1.00 15.32 H new ATOM 677 N ALA A 45 -3.967 -3.055 2.192 1.00 12.03 N ATOM 678 CA ALA A 45 -5.256 -2.413 1.966 1.00 53.21 C ATOM 679 C ALA A 45 -5.871 -1.939 3.278 1.00 54.22 C ATOM 680 O ALA A 45 -6.685 -1.015 3.297 1.00 73.03 O ATOM 681 CB ALA A 45 -6.202 -3.366 1.252 1.00 62.41 C ATOM 0 H ALA A 45 -3.984 -4.072 2.119 1.00 12.03 H new ATOM 0 HA ALA A 45 -5.093 -1.539 1.335 1.00 53.21 H new ATOM 0 HB1 ALA A 45 -7.161 -2.873 1.090 1.00 62.41 H new ATOM 0 HB2 ALA A 45 -5.774 -3.652 0.291 1.00 62.41 H new ATOM 0 HB3 ALA A 45 -6.350 -4.257 1.863 1.00 62.41 H new ATOM 687 N LYS A 46 -5.477 -2.577 4.376 1.00 61.23 N ATOM 688 CA LYS A 46 -5.989 -2.221 5.693 1.00 10.24 C ATOM 689 C LYS A 46 -5.380 -0.908 6.177 1.00 25.14 C ATOM 690 O LYS A 46 -6.091 -0.013 6.632 1.00 55.55 O ATOM 691 CB LYS A 46 -5.689 -3.335 6.698 1.00 30.12 C ATOM 692 CG LYS A 46 -6.926 -3.881 7.388 1.00 75.51 C ATOM 693 CD LYS A 46 -7.276 -3.074 8.627 1.00 33.11 C ATOM 694 CE LYS A 46 -8.292 -3.798 9.497 1.00 71.41 C ATOM 695 NZ LYS A 46 -7.749 -4.103 10.849 1.00 13.04 N ATOM 0 H LYS A 46 -4.804 -3.344 4.379 1.00 61.23 H new ATOM 0 HA LYS A 46 -7.069 -2.093 5.613 1.00 10.24 H new ATOM 0 HB2 LYS A 46 -5.181 -4.150 6.183 1.00 30.12 H new ATOM 0 HB3 LYS A 46 -5.000 -2.956 7.453 1.00 30.12 H new ATOM 0 HG2 LYS A 46 -7.767 -3.867 6.694 1.00 75.51 H new ATOM 0 HG3 LYS A 46 -6.759 -4.922 7.666 1.00 75.51 H new ATOM 0 HD2 LYS A 46 -6.372 -2.883 9.205 1.00 33.11 H new ATOM 0 HD3 LYS A 46 -7.676 -2.104 8.330 1.00 33.11 H new ATOM 0 HE2 LYS A 46 -9.188 -3.185 9.596 1.00 71.41 H new ATOM 0 HE3 LYS A 46 -8.592 -4.725 9.009 1.00 71.41 H new ATOM 0 HZ1 LYS A 46 -8.472 -4.596 11.410 1.00 13.04 H new ATOM 0 HZ2 LYS A 46 -6.909 -4.709 10.757 1.00 13.04 H new ATOM 0 HZ3 LYS A 46 -7.486 -3.217 11.325 1.00 13.04 H new ATOM 709 N LYS A 47 -4.059 -0.802 6.075 1.00 52.10 N ATOM 710 CA LYS A 47 -3.354 0.401 6.500 1.00 2.51 C ATOM 711 C LYS A 47 -3.883 1.630 5.766 1.00 50.21 C ATOM 712 O LYS A 47 -3.979 2.714 6.340 1.00 13.21 O ATOM 713 CB LYS A 47 -1.852 0.252 6.249 1.00 23.10 C ATOM 714 CG LYS A 47 -1.070 -0.180 7.477 1.00 60.21 C ATOM 715 CD LYS A 47 0.219 0.610 7.624 1.00 3.31 C ATOM 716 CE LYS A 47 0.981 0.207 8.878 1.00 72.22 C ATOM 717 NZ LYS A 47 0.569 1.014 10.060 1.00 23.40 N ATOM 0 H LYS A 47 -3.456 -1.535 5.702 1.00 52.10 H new ATOM 0 HA LYS A 47 -3.527 0.535 7.568 1.00 2.51 H new ATOM 0 HB2 LYS A 47 -1.696 -0.477 5.454 1.00 23.10 H new ATOM 0 HB3 LYS A 47 -1.456 1.203 5.892 1.00 23.10 H new ATOM 0 HG2 LYS A 47 -1.684 -0.044 8.367 1.00 60.21 H new ATOM 0 HG3 LYS A 47 -0.840 -1.243 7.408 1.00 60.21 H new ATOM 0 HD2 LYS A 47 0.847 0.449 6.748 1.00 3.31 H new ATOM 0 HD3 LYS A 47 -0.008 1.675 7.662 1.00 3.31 H new ATOM 0 HE2 LYS A 47 0.811 -0.850 9.083 1.00 72.22 H new ATOM 0 HE3 LYS A 47 2.051 0.331 8.709 1.00 72.22 H new ATOM 0 HZ1 LYS A 47 1.111 0.710 10.894 1.00 23.40 H new ATOM 0 HZ2 LYS A 47 0.755 2.020 9.875 1.00 23.40 H new ATOM 0 HZ3 LYS A 47 -0.446 0.876 10.237 1.00 23.40 H new ATOM 731 N ALA A 48 -4.225 1.452 4.494 1.00 14.04 N ATOM 732 CA ALA A 48 -4.748 2.545 3.684 1.00 72.43 C ATOM 733 C ALA A 48 -6.011 3.132 4.303 1.00 12.52 C ATOM 734 O ALA A 48 -6.234 4.341 4.249 1.00 13.21 O ATOM 735 CB ALA A 48 -5.028 2.065 2.267 1.00 2.05 C ATOM 0 H ALA A 48 -4.149 0.561 4.003 1.00 14.04 H new ATOM 0 HA ALA A 48 -3.993 3.330 3.648 1.00 72.43 H new ATOM 0 HB1 ALA A 48 -5.418 2.892 1.673 1.00 2.05 H new ATOM 0 HB2 ALA A 48 -4.105 1.699 1.818 1.00 2.05 H new ATOM 0 HB3 ALA A 48 -5.762 1.260 2.294 1.00 2.05 H new ATOM 741 N GLU A 49 -6.834 2.270 4.892 1.00 3.32 N ATOM 742 CA GLU A 49 -8.075 2.705 5.521 1.00 3.42 C ATOM 743 C GLU A 49 -7.801 3.353 6.875 1.00 21.33 C ATOM 744 O GLU A 49 -8.469 4.309 7.263 1.00 15.24 O ATOM 745 CB GLU A 49 -9.029 1.521 5.692 1.00 44.43 C ATOM 746 CG GLU A 49 -10.493 1.923 5.753 1.00 10.44 C ATOM 747 CD GLU A 49 -11.429 0.738 5.618 1.00 73.20 C ATOM 748 OE1 GLU A 49 -12.057 0.598 4.548 1.00 53.34 O ATOM 749 OE2 GLU A 49 -11.535 -0.048 6.582 1.00 21.15 O ATOM 0 H GLU A 49 -6.663 1.266 4.947 1.00 3.32 H new ATOM 0 HA GLU A 49 -8.541 3.446 4.872 1.00 3.42 H new ATOM 0 HB2 GLU A 49 -8.886 0.827 4.864 1.00 44.43 H new ATOM 0 HB3 GLU A 49 -8.770 0.985 6.605 1.00 44.43 H new ATOM 0 HG2 GLU A 49 -10.688 2.429 6.698 1.00 10.44 H new ATOM 0 HG3 GLU A 49 -10.703 2.639 4.959 1.00 10.44 H new ATOM 757 N GLU A 50 -6.813 2.821 7.589 1.00 31.11 N ATOM 758 CA GLU A 50 -6.452 3.346 8.901 1.00 23.01 C ATOM 759 C GLU A 50 -5.812 4.725 8.778 1.00 50.11 C ATOM 760 O GLU A 50 -6.146 5.646 9.525 1.00 0.31 O ATOM 761 CB GLU A 50 -5.492 2.388 9.611 1.00 72.10 C ATOM 762 CG GLU A 50 -6.185 1.206 10.267 1.00 75.05 C ATOM 763 CD GLU A 50 -6.114 1.254 11.780 1.00 10.34 C ATOM 764 OE1 GLU A 50 -6.560 2.264 12.364 1.00 52.00 O ATOM 765 OE2 GLU A 50 -5.610 0.283 12.383 1.00 65.10 O ATOM 0 H GLU A 50 -6.249 2.028 7.281 1.00 31.11 H new ATOM 0 HA GLU A 50 -7.364 3.439 9.490 1.00 23.01 H new ATOM 0 HB2 GLU A 50 -4.764 2.017 8.890 1.00 72.10 H new ATOM 0 HB3 GLU A 50 -4.937 2.940 10.370 1.00 72.10 H new ATOM 0 HG2 GLU A 50 -7.230 1.184 9.957 1.00 75.05 H new ATOM 0 HG3 GLU A 50 -5.729 0.281 9.915 1.00 75.05 H new ATOM 773 N LEU A 51 -4.890 4.861 7.831 1.00 73.02 N ATOM 774 CA LEU A 51 -4.203 6.129 7.609 1.00 43.01 C ATOM 775 C LEU A 51 -5.135 7.148 6.962 1.00 41.11 C ATOM 776 O LEU A 51 -4.928 8.356 7.081 1.00 60.43 O ATOM 777 CB LEU A 51 -2.971 5.916 6.727 1.00 64.43 C ATOM 778 CG LEU A 51 -3.240 5.411 5.308 1.00 54.41 C ATOM 779 CD1 LEU A 51 -3.531 6.576 4.374 1.00 12.13 C ATOM 780 CD2 LEU A 51 -2.059 4.599 4.799 1.00 43.24 C ATOM 0 H LEU A 51 -4.601 4.109 7.205 1.00 73.02 H new ATOM 0 HA LEU A 51 -3.887 6.517 8.577 1.00 43.01 H new ATOM 0 HB2 LEU A 51 -2.430 6.860 6.659 1.00 64.43 H new ATOM 0 HB3 LEU A 51 -2.311 5.206 7.225 1.00 64.43 H new ATOM 0 HG LEU A 51 -4.117 4.764 5.332 1.00 54.41 H new ATOM 0 HD11 LEU A 51 -3.720 6.198 3.369 1.00 12.13 H new ATOM 0 HD12 LEU A 51 -4.408 7.117 4.729 1.00 12.13 H new ATOM 0 HD13 LEU A 51 -2.674 7.249 4.353 1.00 12.13 H new ATOM 0 HD21 LEU A 51 -2.268 4.248 3.788 1.00 43.24 H new ATOM 0 HD22 LEU A 51 -1.166 5.223 4.789 1.00 43.24 H new ATOM 0 HD23 LEU A 51 -1.896 3.743 5.454 1.00 43.24 H new ATOM 792 N PHE A 52 -6.162 6.654 6.279 1.00 25.54 N ATOM 793 CA PHE A 52 -7.127 7.522 5.614 1.00 24.44 C ATOM 794 C PHE A 52 -7.756 8.496 6.606 1.00 24.51 C ATOM 795 O PHE A 52 -8.240 9.562 6.225 1.00 11.13 O ATOM 796 CB PHE A 52 -8.218 6.686 4.941 1.00 3.23 C ATOM 797 CG PHE A 52 -9.278 7.511 4.271 1.00 35.21 C ATOM 798 CD1 PHE A 52 -9.069 8.037 3.006 1.00 40.42 C ATOM 799 CD2 PHE A 52 -10.484 7.761 4.905 1.00 12.55 C ATOM 800 CE1 PHE A 52 -10.044 8.798 2.388 1.00 5.41 C ATOM 801 CE2 PHE A 52 -11.461 8.522 4.292 1.00 75.21 C ATOM 802 CZ PHE A 52 -11.241 9.040 3.030 1.00 34.14 C ATOM 0 H PHE A 52 -6.348 5.657 6.171 1.00 25.54 H new ATOM 0 HA PHE A 52 -6.598 8.096 4.853 1.00 24.44 H new ATOM 0 HB2 PHE A 52 -7.758 6.030 4.202 1.00 3.23 H new ATOM 0 HB3 PHE A 52 -8.686 6.045 5.688 1.00 3.23 H new ATOM 0 HD1 PHE A 52 -8.135 7.851 2.498 1.00 40.42 H new ATOM 0 HD2 PHE A 52 -10.663 7.356 5.890 1.00 12.55 H new ATOM 0 HE1 PHE A 52 -9.869 9.203 1.402 1.00 5.41 H new ATOM 0 HE2 PHE A 52 -12.396 8.712 4.799 1.00 75.21 H new ATOM 0 HZ PHE A 52 -12.004 9.633 2.547 1.00 34.14 H new ATOM 812 N LYS A 53 -7.748 8.121 7.881 1.00 5.25 N ATOM 813 CA LYS A 53 -8.315 8.959 8.930 1.00 32.51 C ATOM 814 C LYS A 53 -7.744 10.372 8.866 1.00 51.31 C ATOM 815 O LYS A 53 -8.474 11.354 9.005 1.00 33.20 O ATOM 816 CB LYS A 53 -8.040 8.348 10.305 1.00 2.30 C ATOM 817 CG LYS A 53 -9.265 8.289 11.201 1.00 32.23 C ATOM 818 CD LYS A 53 -10.107 7.057 10.915 1.00 32.11 C ATOM 819 CE LYS A 53 -9.696 5.885 11.793 1.00 13.13 C ATOM 820 NZ LYS A 53 -10.169 4.586 11.241 1.00 63.52 N ATOM 0 H LYS A 53 -7.354 7.240 8.213 1.00 5.25 H new ATOM 0 HA LYS A 53 -9.392 9.014 8.773 1.00 32.51 H new ATOM 0 HB2 LYS A 53 -7.648 7.340 10.173 1.00 2.30 H new ATOM 0 HB3 LYS A 53 -7.264 8.929 10.803 1.00 2.30 H new ATOM 0 HG2 LYS A 53 -8.953 8.283 12.245 1.00 32.23 H new ATOM 0 HG3 LYS A 53 -9.868 9.185 11.054 1.00 32.23 H new ATOM 0 HD2 LYS A 53 -11.159 7.287 11.083 1.00 32.11 H new ATOM 0 HD3 LYS A 53 -10.004 6.780 9.866 1.00 32.11 H new ATOM 0 HE2 LYS A 53 -8.610 5.866 11.888 1.00 13.13 H new ATOM 0 HE3 LYS A 53 -10.101 6.023 12.796 1.00 13.13 H new ATOM 0 HZ1 LYS A 53 -9.869 3.812 11.868 1.00 63.52 H new ATOM 0 HZ2 LYS A 53 -11.207 4.595 11.174 1.00 63.52 H new ATOM 0 HZ3 LYS A 53 -9.762 4.442 10.295 1.00 63.52 H new ATOM 834 N LEU A 54 -6.436 10.467 8.653 1.00 34.24 N ATOM 835 CA LEU A 54 -5.767 11.761 8.570 1.00 64.41 C ATOM 836 C LEU A 54 -6.269 12.556 7.368 1.00 2.30 C ATOM 837 O LEU A 54 -6.274 13.787 7.385 1.00 75.24 O ATOM 838 CB LEU A 54 -4.253 11.569 8.472 1.00 31.53 C ATOM 839 CG LEU A 54 -3.612 10.718 9.570 1.00 72.32 C ATOM 840 CD1 LEU A 54 -2.109 10.625 9.363 1.00 24.44 C ATOM 841 CD2 LEU A 54 -3.929 11.293 10.943 1.00 61.45 C ATOM 0 H LEU A 54 -5.818 9.664 8.535 1.00 34.24 H new ATOM 0 HA LEU A 54 -5.998 12.321 9.476 1.00 64.41 H new ATOM 0 HB2 LEU A 54 -4.026 11.114 7.508 1.00 31.53 H new ATOM 0 HB3 LEU A 54 -3.781 12.551 8.479 1.00 31.53 H new ATOM 0 HG LEU A 54 -4.029 9.712 9.514 1.00 72.32 H new ATOM 0 HD11 LEU A 54 -1.670 10.016 10.153 1.00 24.44 H new ATOM 0 HD12 LEU A 54 -1.903 10.168 8.395 1.00 24.44 H new ATOM 0 HD13 LEU A 54 -1.675 11.625 9.392 1.00 24.44 H new ATOM 0 HD21 LEU A 54 -3.465 10.675 11.712 1.00 61.45 H new ATOM 0 HD22 LEU A 54 -3.540 12.309 11.011 1.00 61.45 H new ATOM 0 HD23 LEU A 54 -5.009 11.307 11.091 1.00 61.45 H new ATOM 853 N ALA A 55 -6.690 11.845 6.328 1.00 31.21 N ATOM 854 CA ALA A 55 -7.198 12.484 5.120 1.00 12.10 C ATOM 855 C ALA A 55 -8.343 13.436 5.443 1.00 34.11 C ATOM 856 O ALA A 55 -8.557 14.425 4.742 1.00 22.24 O ATOM 857 CB ALA A 55 -7.649 11.433 4.117 1.00 33.41 C ATOM 0 H ALA A 55 -6.689 10.825 6.297 1.00 31.21 H new ATOM 0 HA ALA A 55 -6.389 13.067 4.679 1.00 12.10 H new ATOM 0 HB1 ALA A 55 -8.026 11.924 3.220 1.00 33.41 H new ATOM 0 HB2 ALA A 55 -6.805 10.795 3.854 1.00 33.41 H new ATOM 0 HB3 ALA A 55 -8.440 10.825 4.557 1.00 33.41 H new ATOM 863 N GLU A 56 -9.078 13.132 6.509 1.00 61.55 N ATOM 864 CA GLU A 56 -10.204 13.961 6.922 1.00 3.14 C ATOM 865 C GLU A 56 -9.719 15.215 7.645 1.00 61.15 C ATOM 866 O GLU A 56 -10.411 16.232 7.676 1.00 50.20 O ATOM 867 CB GLU A 56 -11.145 13.167 7.832 1.00 42.33 C ATOM 868 CG GLU A 56 -11.282 11.706 7.437 1.00 70.13 C ATOM 869 CD GLU A 56 -12.544 11.070 7.987 1.00 61.01 C ATOM 870 OE1 GLU A 56 -12.455 9.945 8.523 1.00 75.55 O ATOM 871 OE2 GLU A 56 -13.619 11.696 7.883 1.00 45.14 O ATOM 0 H GLU A 56 -8.914 12.318 7.101 1.00 61.55 H new ATOM 0 HA GLU A 56 -10.746 14.264 6.027 1.00 3.14 H new ATOM 0 HB2 GLU A 56 -10.780 13.225 8.858 1.00 42.33 H new ATOM 0 HB3 GLU A 56 -12.130 13.633 7.817 1.00 42.33 H new ATOM 0 HG2 GLU A 56 -11.283 11.626 6.350 1.00 70.13 H new ATOM 0 HG3 GLU A 56 -10.414 11.153 7.797 1.00 70.13 H new ATOM 879 N GLU A 57 -8.526 15.133 8.225 1.00 31.31 N ATOM 880 CA GLU A 57 -7.949 16.260 8.949 1.00 61.13 C ATOM 881 C GLU A 57 -7.704 17.439 8.011 1.00 71.21 C ATOM 882 O GLU A 57 -8.061 18.576 8.321 1.00 5.31 O ATOM 883 CB GLU A 57 -6.638 15.846 9.620 1.00 72.10 C ATOM 884 CG GLU A 57 -6.800 14.725 10.633 1.00 43.14 C ATOM 885 CD GLU A 57 -7.234 15.229 11.996 1.00 72.43 C ATOM 886 OE1 GLU A 57 -8.224 14.693 12.537 1.00 2.35 O ATOM 887 OE2 GLU A 57 -6.586 16.158 12.520 1.00 72.43 O ATOM 0 H GLU A 57 -7.940 14.298 8.208 1.00 31.31 H new ATOM 0 HA GLU A 57 -8.659 16.569 9.716 1.00 61.13 H new ATOM 0 HB2 GLU A 57 -5.931 15.532 8.853 1.00 72.10 H new ATOM 0 HB3 GLU A 57 -6.204 16.714 10.117 1.00 72.10 H new ATOM 0 HG2 GLU A 57 -7.535 14.010 10.263 1.00 43.14 H new ATOM 0 HG3 GLU A 57 -5.856 14.190 10.731 1.00 43.14 H new ATOM 895 N ARG A 58 -7.092 17.159 6.865 1.00 34.32 N ATOM 896 CA ARG A 58 -6.797 18.196 5.883 1.00 11.54 C ATOM 897 C ARG A 58 -8.040 18.545 5.071 1.00 34.13 C ATOM 898 O ARG A 58 -8.134 19.630 4.495 1.00 72.42 O ATOM 899 CB ARG A 58 -5.676 17.739 4.949 1.00 2.15 C ATOM 900 CG ARG A 58 -5.822 16.300 4.481 1.00 51.22 C ATOM 901 CD ARG A 58 -4.718 15.417 5.041 1.00 14.33 C ATOM 902 NE ARG A 58 -4.491 15.661 6.464 1.00 52.33 N ATOM 903 CZ ARG A 58 -3.634 14.965 7.201 1.00 3.41 C ATOM 904 NH1 ARG A 58 -2.926 13.987 6.654 1.00 44.41 N ATOM 905 NH2 ARG A 58 -3.483 15.248 8.489 1.00 22.30 N ATOM 0 H ARG A 58 -6.791 16.223 6.594 1.00 34.32 H new ATOM 0 HA ARG A 58 -6.473 19.088 6.419 1.00 11.54 H new ATOM 0 HB2 ARG A 58 -5.650 18.394 4.078 1.00 2.15 H new ATOM 0 HB3 ARG A 58 -4.720 17.851 5.461 1.00 2.15 H new ATOM 0 HG2 ARG A 58 -6.792 15.912 4.791 1.00 51.22 H new ATOM 0 HG3 ARG A 58 -5.799 16.266 3.392 1.00 51.22 H new ATOM 0 HD2 ARG A 58 -4.980 14.370 4.890 1.00 14.33 H new ATOM 0 HD3 ARG A 58 -3.795 15.598 4.490 1.00 14.33 H new ATOM 0 HE ARG A 58 -5.020 16.407 6.916 1.00 52.33 H new ATOM 0 HH11 ARG A 58 -3.039 13.768 5.664 1.00 44.41 H new ATOM 0 HH12 ARG A 58 -2.268 13.454 7.223 1.00 44.41 H new ATOM 0 HH21 ARG A 58 -4.026 16.001 8.913 1.00 22.30 H new ATOM 0 HH22 ARG A 58 -2.824 14.713 9.055 1.00 22.30 H new ATOM 919 N LEU A 59 -8.992 17.620 5.028 1.00 10.05 N ATOM 920 CA LEU A 59 -10.231 17.829 4.286 1.00 21.23 C ATOM 921 C LEU A 59 -11.245 18.600 5.125 1.00 42.54 C ATOM 922 O LEU A 59 -11.555 19.756 4.834 1.00 33.43 O ATOM 923 CB LEU A 59 -10.824 16.486 3.856 1.00 0.24 C ATOM 924 CG LEU A 59 -11.708 16.511 2.610 1.00 74.24 C ATOM 925 CD1 LEU A 59 -12.233 15.118 2.299 1.00 54.03 C ATOM 926 CD2 LEU A 59 -12.860 17.488 2.793 1.00 74.14 C ATOM 0 H LEU A 59 -8.930 16.717 5.498 1.00 10.05 H new ATOM 0 HA LEU A 59 -9.999 18.418 3.398 1.00 21.23 H new ATOM 0 HB2 LEU A 59 -10.004 15.789 3.682 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -11.410 16.088 4.685 1.00 0.24 H new ATOM 0 HG LEU A 59 -11.104 16.846 1.767 1.00 74.24 H new ATOM 0 HD11 LEU A 59 -12.860 15.156 1.409 1.00 54.03 H new ATOM 0 HD12 LEU A 59 -11.395 14.444 2.124 1.00 54.03 H new ATOM 0 HD13 LEU A 59 -12.821 14.754 3.142 1.00 54.03 H new ATOM 0 HD21 LEU A 59 -13.479 17.493 1.896 1.00 74.14 H new ATOM 0 HD22 LEU A 59 -13.463 17.183 3.648 1.00 74.14 H new ATOM 0 HD23 LEU A 59 -12.464 18.489 2.966 1.00 74.14 H new ATOM 938 N LYS A 60 -11.755 17.954 6.167 1.00 72.22 N ATOM 939 CA LYS A 60 -12.732 18.580 7.052 1.00 60.14 C ATOM 940 C LYS A 60 -12.144 18.805 8.440 1.00 2.24 C ATOM 941 O LYS A 60 -10.964 18.538 8.677 1.00 74.12 O ATOM 942 CB LYS A 60 -13.988 17.712 7.153 1.00 63.31 C ATOM 943 CG LYS A 60 -13.693 16.229 7.303 1.00 44.04 C ATOM 944 CD LYS A 60 -13.983 15.470 6.019 1.00 40.22 C ATOM 945 CE LYS A 60 -15.469 15.468 5.696 1.00 60.01 C ATOM 946 NZ LYS A 60 -15.791 14.546 4.572 1.00 74.12 N ATOM 0 H LYS A 60 -11.509 16.997 6.420 1.00 72.22 H new ATOM 0 HA LYS A 60 -13.000 19.548 6.629 1.00 60.14 H new ATOM 0 HB2 LYS A 60 -14.581 18.044 8.005 1.00 63.31 H new ATOM 0 HB3 LYS A 60 -14.597 17.864 6.262 1.00 63.31 H new ATOM 0 HG2 LYS A 60 -12.648 16.091 7.580 1.00 44.04 H new ATOM 0 HG3 LYS A 60 -14.294 15.818 8.114 1.00 44.04 H new ATOM 0 HD2 LYS A 60 -13.431 15.923 5.195 1.00 40.22 H new ATOM 0 HD3 LYS A 60 -13.629 14.444 6.114 1.00 40.22 H new ATOM 0 HE2 LYS A 60 -16.033 15.172 6.581 1.00 60.01 H new ATOM 0 HE3 LYS A 60 -15.786 16.479 5.439 1.00 60.01 H new ATOM 0 HZ1 LYS A 60 -16.813 14.573 4.383 1.00 74.12 H new ATOM 0 HZ2 LYS A 60 -15.273 14.843 3.720 1.00 74.12 H new ATOM 0 HZ3 LYS A 60 -15.512 13.577 4.827 1.00 74.12 H new ATOM 960 N LYS A 61 -12.971 19.295 9.357 1.00 40.01 N ATOM 961 CA LYS A 61 -12.534 19.553 10.723 1.00 73.10 C ATOM 962 C LYS A 61 -12.776 18.336 11.611 1.00 75.14 C ATOM 963 O LYS A 61 -12.034 18.091 12.564 1.00 45.44 O ATOM 964 CB LYS A 61 -13.267 20.768 11.295 1.00 51.24 C ATOM 965 CG LYS A 61 -14.755 20.540 11.500 1.00 62.22 C ATOM 966 CD LYS A 61 -15.453 21.804 11.972 1.00 65.45 C ATOM 967 CE LYS A 61 -16.273 21.553 13.228 1.00 24.42 C ATOM 968 NZ LYS A 61 -16.304 22.745 14.118 1.00 15.21 N ATOM 0 H LYS A 61 -13.949 19.522 9.178 1.00 40.01 H new ATOM 0 HA LYS A 61 -11.464 19.759 10.702 1.00 73.10 H new ATOM 0 HB2 LYS A 61 -12.815 21.039 12.249 1.00 51.24 H new ATOM 0 HB3 LYS A 61 -13.127 21.615 10.624 1.00 51.24 H new ATOM 0 HG2 LYS A 61 -15.204 20.202 10.566 1.00 62.22 H new ATOM 0 HG3 LYS A 61 -14.905 19.746 12.231 1.00 62.22 H new ATOM 0 HD2 LYS A 61 -14.711 22.578 12.169 1.00 65.45 H new ATOM 0 HD3 LYS A 61 -16.103 22.179 11.181 1.00 65.45 H new ATOM 0 HE2 LYS A 61 -17.291 21.282 12.949 1.00 24.42 H new ATOM 0 HE3 LYS A 61 -15.855 20.705 13.771 1.00 24.42 H new ATOM 0 HZ1 LYS A 61 -16.873 22.533 14.963 1.00 15.21 H new ATOM 0 HZ2 LYS A 61 -15.335 22.989 14.406 1.00 15.21 H new ATOM 0 HZ3 LYS A 61 -16.726 23.548 13.609 1.00 15.21 H new ATOM 982 N LEU A 62 -13.818 17.576 11.294 1.00 63.24 N ATOM 983 CA LEU A 62 -14.157 16.383 12.062 1.00 71.02 C ATOM 984 C LEU A 62 -14.527 16.746 13.496 1.00 2.42 C ATOM 985 O LEU A 62 -15.483 16.188 14.031 1.00 34.32 O ATOM 986 CB LEU A 62 -12.985 15.400 12.058 1.00 71.13 C ATOM 987 CG LEU A 62 -13.267 14.023 11.455 1.00 33.22 C ATOM 988 CD1 LEU A 62 -12.011 13.165 11.476 1.00 62.23 C ATOM 989 CD2 LEU A 62 -14.398 13.333 12.204 1.00 52.22 C ATOM 0 H LEU A 62 -14.443 17.765 10.510 1.00 63.24 H new ATOM 0 HA LEU A 62 -15.020 15.911 11.592 1.00 71.02 H new ATOM 0 HB2 LEU A 62 -12.159 15.853 11.510 1.00 71.13 H new ATOM 0 HB3 LEU A 62 -12.648 15.263 13.086 1.00 71.13 H new ATOM 0 HG LEU A 62 -13.574 14.158 10.418 1.00 33.22 H new ATOM 0 HD11 LEU A 62 -12.230 12.189 11.043 1.00 62.23 H new ATOM 0 HD12 LEU A 62 -11.228 13.652 10.895 1.00 62.23 H new ATOM 0 HD13 LEU A 62 -11.674 13.038 12.505 1.00 62.23 H new ATOM 0 HD21 LEU A 62 -14.584 12.355 11.761 1.00 52.22 H new ATOM 0 HD22 LEU A 62 -14.119 13.210 13.251 1.00 52.22 H new ATOM 0 HD23 LEU A 62 -15.301 13.939 12.138 1.00 52.22 H new ATOM 1002 N MET B 1 13.833 -22.870 -5.194 1.00 14.40 N ATOM 1003 CA MET B 1 12.559 -23.477 -5.561 1.00 32.33 C ATOM 1004 C MET B 1 11.628 -22.448 -6.194 1.00 11.24 C ATOM 1005 O MET B 1 10.607 -22.079 -5.613 1.00 41.35 O ATOM 1006 CB MET B 1 11.892 -24.097 -4.331 1.00 21.11 C ATOM 1007 CG MET B 1 12.803 -25.033 -3.553 1.00 63.32 C ATOM 1008 SD MET B 1 11.950 -26.517 -2.985 1.00 15.15 S ATOM 1009 CE MET B 1 13.196 -27.235 -1.916 1.00 33.51 C ATOM 0 H1 MET B 1 14.569 -23.604 -5.155 1.00 14.40 H new ATOM 0 H2 MET B 1 14.094 -22.155 -5.903 1.00 14.40 H new ATOM 0 H3 MET B 1 13.746 -22.417 -4.262 1.00 14.40 H new ATOM 0 HA MET B 1 12.756 -24.261 -6.293 1.00 32.33 H new ATOM 0 HB2 MET B 1 11.554 -23.299 -3.670 1.00 21.11 H new ATOM 0 HB3 MET B 1 11.005 -24.646 -4.647 1.00 21.11 H new ATOM 0 HG2 MET B 1 13.645 -25.321 -4.182 1.00 63.32 H new ATOM 0 HG3 MET B 1 13.214 -24.503 -2.694 1.00 63.32 H new ATOM 0 HE1 MET B 1 12.817 -28.163 -1.487 1.00 33.51 H new ATOM 0 HE2 MET B 1 14.096 -27.444 -2.495 1.00 33.51 H new ATOM 0 HE3 MET B 1 13.435 -26.536 -1.115 1.00 33.51 H new ATOM 1019 N LYS B 2 11.987 -21.988 -7.387 1.00 63.45 N ATOM 1020 CA LYS B 2 11.184 -21.002 -8.102 1.00 31.42 C ATOM 1021 C LYS B 2 10.784 -21.520 -9.479 1.00 64.42 C ATOM 1022 O LYS B 2 11.557 -22.211 -10.143 1.00 22.50 O ATOM 1023 CB LYS B 2 11.958 -19.690 -8.243 1.00 70.02 C ATOM 1024 CG LYS B 2 13.068 -19.748 -9.278 1.00 52.12 C ATOM 1025 CD LYS B 2 14.035 -18.587 -9.122 1.00 42.31 C ATOM 1026 CE LYS B 2 14.707 -18.240 -10.443 1.00 53.04 C ATOM 1027 NZ LYS B 2 14.160 -16.986 -11.031 1.00 10.33 N ATOM 0 H LYS B 2 12.830 -22.282 -7.880 1.00 63.45 H new ATOM 0 HA LYS B 2 10.277 -20.822 -7.525 1.00 31.42 H new ATOM 0 HB2 LYS B 2 11.263 -18.895 -8.512 1.00 70.02 H new ATOM 0 HB3 LYS B 2 12.387 -19.425 -7.277 1.00 70.02 H new ATOM 0 HG2 LYS B 2 13.609 -20.689 -9.181 1.00 52.12 H new ATOM 0 HG3 LYS B 2 12.636 -19.731 -10.278 1.00 52.12 H new ATOM 0 HD2 LYS B 2 13.501 -17.715 -8.744 1.00 42.31 H new ATOM 0 HD3 LYS B 2 14.794 -18.841 -8.382 1.00 42.31 H new ATOM 0 HE2 LYS B 2 15.780 -18.130 -10.287 1.00 53.04 H new ATOM 0 HE3 LYS B 2 14.570 -19.061 -11.147 1.00 53.04 H new ATOM 0 HZ1 LYS B 2 14.643 -16.784 -11.929 1.00 10.33 H new ATOM 0 HZ2 LYS B 2 13.141 -17.099 -11.204 1.00 10.33 H new ATOM 0 HZ3 LYS B 2 14.313 -16.197 -10.371 1.00 10.33 H new ATOM 1041 N LYS B 3 9.572 -21.182 -9.904 1.00 71.31 N ATOM 1042 CA LYS B 3 9.069 -21.610 -11.205 1.00 21.23 C ATOM 1043 C LYS B 3 8.238 -20.510 -11.856 1.00 51.45 C ATOM 1044 O LYS B 3 8.663 -19.896 -12.837 1.00 34.53 O ATOM 1045 CB LYS B 3 8.226 -22.880 -11.056 1.00 40.42 C ATOM 1046 CG LYS B 3 8.903 -24.126 -11.599 1.00 64.24 C ATOM 1047 CD LYS B 3 8.524 -24.378 -13.049 1.00 42.12 C ATOM 1048 CE LYS B 3 9.217 -25.616 -13.599 1.00 3.33 C ATOM 1049 NZ LYS B 3 10.306 -25.265 -14.552 1.00 31.14 N ATOM 0 H LYS B 3 8.919 -20.612 -9.366 1.00 71.31 H new ATOM 0 HA LYS B 3 9.925 -21.822 -11.846 1.00 21.23 H new ATOM 0 HB2 LYS B 3 7.996 -23.032 -10.001 1.00 40.42 H new ATOM 0 HB3 LYS B 3 7.276 -22.738 -11.572 1.00 40.42 H new ATOM 0 HG2 LYS B 3 9.985 -24.018 -11.518 1.00 64.24 H new ATOM 0 HG3 LYS B 3 8.622 -24.988 -10.993 1.00 64.24 H new ATOM 0 HD2 LYS B 3 7.444 -24.499 -13.128 1.00 42.12 H new ATOM 0 HD3 LYS B 3 8.793 -23.511 -13.652 1.00 42.12 H new ATOM 0 HE2 LYS B 3 9.629 -26.198 -12.775 1.00 3.33 H new ATOM 0 HE3 LYS B 3 8.485 -26.249 -14.101 1.00 3.33 H new ATOM 0 HZ1 LYS B 3 10.753 -26.135 -14.904 1.00 31.14 H new ATOM 0 HZ2 LYS B 3 9.909 -24.732 -15.352 1.00 31.14 H new ATOM 0 HZ3 LYS B 3 11.018 -24.682 -14.067 1.00 31.14 H new ATOM 1063 N LEU B 4 7.055 -20.263 -11.306 1.00 31.21 N ATOM 1064 CA LEU B 4 6.165 -19.234 -11.833 1.00 5.31 C ATOM 1065 C LEU B 4 5.586 -18.385 -10.705 1.00 45.13 C ATOM 1066 O LEU B 4 4.712 -17.548 -10.931 1.00 65.53 O ATOM 1067 CB LEU B 4 5.032 -19.875 -12.637 1.00 3.43 C ATOM 1068 CG LEU B 4 3.845 -20.394 -11.827 1.00 21.41 C ATOM 1069 CD1 LEU B 4 2.764 -20.934 -12.751 1.00 33.24 C ATOM 1070 CD2 LEU B 4 4.296 -21.467 -10.847 1.00 32.40 C ATOM 0 H LEU B 4 6.689 -20.761 -10.495 1.00 31.21 H new ATOM 0 HA LEU B 4 6.747 -18.586 -12.489 1.00 5.31 H new ATOM 0 HB2 LEU B 4 4.664 -19.143 -13.355 1.00 3.43 H new ATOM 0 HB3 LEU B 4 5.445 -20.704 -13.211 1.00 3.43 H new ATOM 0 HG LEU B 4 3.427 -19.563 -11.258 1.00 21.41 H new ATOM 0 HD11 LEU B 4 1.926 -21.299 -12.157 1.00 33.24 H new ATOM 0 HD12 LEU B 4 2.420 -20.139 -13.412 1.00 33.24 H new ATOM 0 HD13 LEU B 4 3.170 -21.751 -13.347 1.00 33.24 H new ATOM 0 HD21 LEU B 4 3.437 -21.825 -10.279 1.00 32.40 H new ATOM 0 HD22 LEU B 4 4.740 -22.298 -11.396 1.00 32.40 H new ATOM 0 HD23 LEU B 4 5.034 -21.048 -10.163 1.00 32.40 H new ATOM 1082 N ARG B 5 6.083 -18.604 -9.492 1.00 72.33 N ATOM 1083 CA ARG B 5 5.615 -17.858 -8.330 1.00 24.13 C ATOM 1084 C ARG B 5 6.080 -16.406 -8.392 1.00 24.43 C ATOM 1085 O ARG B 5 5.394 -15.504 -7.914 1.00 63.24 O ATOM 1086 CB ARG B 5 6.119 -18.512 -7.041 1.00 62.23 C ATOM 1087 CG ARG B 5 5.754 -19.982 -6.922 1.00 25.24 C ATOM 1088 CD ARG B 5 6.846 -20.772 -6.217 1.00 70.00 C ATOM 1089 NE ARG B 5 7.089 -22.062 -6.856 1.00 74.53 N ATOM 1090 CZ ARG B 5 6.303 -23.122 -6.693 1.00 43.40 C ATOM 1091 NH1 ARG B 5 5.233 -23.045 -5.916 1.00 52.04 N ATOM 1092 NH2 ARG B 5 6.590 -24.261 -7.309 1.00 22.31 N ATOM 0 H ARG B 5 6.809 -19.291 -9.288 1.00 72.33 H new ATOM 0 HA ARG B 5 4.525 -17.872 -8.335 1.00 24.13 H new ATOM 0 HB2 ARG B 5 7.203 -18.410 -6.992 1.00 62.23 H new ATOM 0 HB3 ARG B 5 5.709 -17.974 -6.186 1.00 62.23 H new ATOM 0 HG2 ARG B 5 4.818 -20.082 -6.372 1.00 25.24 H new ATOM 0 HG3 ARG B 5 5.586 -20.398 -7.915 1.00 25.24 H new ATOM 0 HD2 ARG B 5 7.768 -20.191 -6.212 1.00 70.00 H new ATOM 0 HD3 ARG B 5 6.564 -20.931 -5.176 1.00 70.00 H new ATOM 0 HE ARG B 5 7.906 -22.155 -7.460 1.00 74.53 H new ATOM 0 HH11 ARG B 5 5.010 -22.171 -5.441 1.00 52.04 H new ATOM 0 HH12 ARG B 5 4.632 -23.860 -5.793 1.00 52.04 H new ATOM 0 HH21 ARG B 5 7.414 -24.324 -7.908 1.00 22.31 H new ATOM 0 HH22 ARG B 5 5.987 -25.074 -7.184 1.00 22.31 H new ATOM 1106 N GLU B 6 7.251 -16.191 -8.984 1.00 31.41 N ATOM 1107 CA GLU B 6 7.808 -14.849 -9.107 1.00 41.12 C ATOM 1108 C GLU B 6 6.791 -13.892 -9.722 1.00 65.54 C ATOM 1109 O GLU B 6 6.837 -12.685 -9.485 1.00 22.20 O ATOM 1110 CB GLU B 6 9.079 -14.876 -9.959 1.00 3.34 C ATOM 1111 CG GLU B 6 8.811 -14.990 -11.450 1.00 20.42 C ATOM 1112 CD GLU B 6 10.085 -15.012 -12.272 1.00 60.44 C ATOM 1113 OE1 GLU B 6 11.121 -15.470 -11.748 1.00 33.12 O ATOM 1114 OE2 GLU B 6 10.045 -14.570 -13.439 1.00 63.02 O ATOM 0 H GLU B 6 7.831 -16.928 -9.385 1.00 31.41 H new ATOM 0 HA GLU B 6 8.057 -14.494 -8.107 1.00 41.12 H new ATOM 0 HB2 GLU B 6 9.652 -13.968 -9.770 1.00 3.34 H new ATOM 0 HB3 GLU B 6 9.699 -15.716 -9.645 1.00 3.34 H new ATOM 0 HG2 GLU B 6 8.242 -15.899 -11.645 1.00 20.42 H new ATOM 0 HG3 GLU B 6 8.192 -14.152 -11.769 1.00 20.42 H new ATOM 1122 N GLU B 7 5.875 -14.440 -10.514 1.00 61.41 N ATOM 1123 CA GLU B 7 4.847 -13.636 -11.165 1.00 12.35 C ATOM 1124 C GLU B 7 4.098 -12.782 -10.145 1.00 11.40 C ATOM 1125 O GLU B 7 3.672 -11.667 -10.447 1.00 22.10 O ATOM 1126 CB GLU B 7 3.863 -14.534 -11.915 1.00 31.11 C ATOM 1127 CG GLU B 7 2.907 -15.285 -11.003 1.00 32.30 C ATOM 1128 CD GLU B 7 1.655 -14.489 -10.687 1.00 25.05 C ATOM 1129 OE1 GLU B 7 1.076 -14.703 -9.601 1.00 54.54 O ATOM 1130 OE2 GLU B 7 1.256 -13.654 -11.524 1.00 3.42 O ATOM 0 H GLU B 7 5.824 -15.438 -10.720 1.00 61.41 H new ATOM 0 HA GLU B 7 5.338 -12.974 -11.878 1.00 12.35 H new ATOM 0 HB2 GLU B 7 3.285 -13.925 -12.610 1.00 31.11 H new ATOM 0 HB3 GLU B 7 4.423 -15.254 -12.512 1.00 31.11 H new ATOM 0 HG2 GLU B 7 2.625 -16.226 -11.475 1.00 32.30 H new ATOM 0 HG3 GLU B 7 3.418 -15.535 -10.073 1.00 32.30 H new ATOM 1138 N ALA B 8 3.942 -13.314 -8.938 1.00 11.13 N ATOM 1139 CA ALA B 8 3.247 -12.601 -7.873 1.00 72.42 C ATOM 1140 C ALA B 8 4.131 -11.516 -7.270 1.00 2.45 C ATOM 1141 O ALA B 8 3.636 -10.518 -6.745 1.00 23.42 O ATOM 1142 CB ALA B 8 2.793 -13.575 -6.795 1.00 10.33 C ATOM 0 H ALA B 8 4.287 -14.236 -8.673 1.00 11.13 H new ATOM 0 HA ALA B 8 2.370 -12.119 -8.305 1.00 72.42 H new ATOM 0 HB1 ALA B 8 2.276 -13.029 -6.006 1.00 10.33 H new ATOM 0 HB2 ALA B 8 2.117 -14.311 -7.231 1.00 10.33 H new ATOM 0 HB3 ALA B 8 3.661 -14.084 -6.375 1.00 10.33 H new ATOM 1148 N ALA B 9 5.443 -11.717 -7.347 1.00 73.10 N ATOM 1149 CA ALA B 9 6.397 -10.754 -6.810 1.00 32.52 C ATOM 1150 C ALA B 9 6.255 -9.400 -7.496 1.00 43.53 C ATOM 1151 O ALA B 9 6.262 -8.357 -6.843 1.00 52.50 O ATOM 1152 CB ALA B 9 7.816 -11.278 -6.960 1.00 5.14 C ATOM 0 H ALA B 9 5.869 -12.538 -7.776 1.00 73.10 H new ATOM 0 HA ALA B 9 6.182 -10.619 -5.750 1.00 32.52 H new ATOM 0 HB1 ALA B 9 8.518 -10.549 -6.555 1.00 5.14 H new ATOM 0 HB2 ALA B 9 7.916 -12.218 -6.418 1.00 5.14 H new ATOM 0 HB3 ALA B 9 8.033 -11.443 -8.015 1.00 5.14 H new ATOM 1158 N LYS B 10 6.127 -9.422 -8.819 1.00 32.41 N ATOM 1159 CA LYS B 10 5.983 -8.196 -9.595 1.00 23.13 C ATOM 1160 C LYS B 10 4.802 -7.370 -9.094 1.00 22.21 C ATOM 1161 O LYS B 10 4.860 -6.140 -9.066 1.00 32.35 O ATOM 1162 CB LYS B 10 5.795 -8.527 -11.078 1.00 41.52 C ATOM 1163 CG LYS B 10 6.808 -9.527 -11.611 1.00 72.42 C ATOM 1164 CD LYS B 10 7.602 -8.951 -12.771 1.00 2.13 C ATOM 1165 CE LYS B 10 6.721 -8.712 -13.987 1.00 31.23 C ATOM 1166 NZ LYS B 10 6.619 -7.265 -14.322 1.00 32.54 N ATOM 0 H LYS B 10 6.120 -10.276 -9.376 1.00 32.41 H new ATOM 0 HA LYS B 10 6.893 -7.608 -9.472 1.00 23.13 H new ATOM 0 HB2 LYS B 10 4.791 -8.924 -11.229 1.00 41.52 H new ATOM 0 HB3 LYS B 10 5.865 -7.607 -11.659 1.00 41.52 H new ATOM 0 HG2 LYS B 10 7.489 -9.818 -10.811 1.00 72.42 H new ATOM 0 HG3 LYS B 10 6.292 -10.431 -11.935 1.00 72.42 H new ATOM 0 HD2 LYS B 10 8.065 -8.012 -12.466 1.00 2.13 H new ATOM 0 HD3 LYS B 10 8.410 -9.634 -13.035 1.00 2.13 H new ATOM 0 HE2 LYS B 10 7.126 -9.255 -14.841 1.00 31.23 H new ATOM 0 HE3 LYS B 10 5.725 -9.112 -13.798 1.00 31.23 H new ATOM 0 HZ1 LYS B 10 5.718 -7.084 -14.809 1.00 32.54 H new ATOM 0 HZ2 LYS B 10 6.659 -6.703 -13.448 1.00 32.54 H new ATOM 0 HZ3 LYS B 10 7.408 -6.996 -14.943 1.00 32.54 H new ATOM 1180 N LEU B 11 3.734 -8.054 -8.699 1.00 73.34 N ATOM 1181 CA LEU B 11 2.539 -7.383 -8.197 1.00 51.23 C ATOM 1182 C LEU B 11 2.892 -6.412 -7.075 1.00 53.35 C ATOM 1183 O LEU B 11 2.382 -5.292 -7.027 1.00 34.34 O ATOM 1184 CB LEU B 11 1.525 -8.412 -7.697 1.00 32.01 C ATOM 1185 CG LEU B 11 1.212 -9.566 -8.651 1.00 50.11 C ATOM 1186 CD1 LEU B 11 0.081 -10.421 -8.101 1.00 72.14 C ATOM 1187 CD2 LEU B 11 0.859 -9.034 -10.032 1.00 61.50 C ATOM 0 H LEU B 11 3.671 -9.072 -8.716 1.00 73.34 H new ATOM 0 HA LEU B 11 2.098 -6.817 -9.017 1.00 51.23 H new ATOM 0 HB2 LEU B 11 1.894 -8.831 -6.761 1.00 32.01 H new ATOM 0 HB3 LEU B 11 0.594 -7.893 -7.469 1.00 32.01 H new ATOM 0 HG LEU B 11 2.101 -10.191 -8.741 1.00 50.11 H new ATOM 0 HD11 LEU B 11 -0.128 -11.237 -8.793 1.00 72.14 H new ATOM 0 HD12 LEU B 11 0.372 -10.831 -7.134 1.00 72.14 H new ATOM 0 HD13 LEU B 11 -0.813 -9.809 -7.981 1.00 72.14 H new ATOM 0 HD21 LEU B 11 0.639 -9.868 -10.698 1.00 61.50 H new ATOM 0 HD22 LEU B 11 -0.015 -8.387 -9.960 1.00 61.50 H new ATOM 0 HD23 LEU B 11 1.700 -8.465 -10.429 1.00 61.50 H new ATOM 1199 N PHE B 12 3.767 -6.847 -6.176 1.00 3.22 N ATOM 1200 CA PHE B 12 4.189 -6.016 -5.055 1.00 51.12 C ATOM 1201 C PHE B 12 5.100 -4.886 -5.527 1.00 64.21 C ATOM 1202 O PHE B 12 5.220 -3.855 -4.866 1.00 61.44 O ATOM 1203 CB PHE B 12 4.912 -6.864 -4.006 1.00 72.24 C ATOM 1204 CG PHE B 12 4.033 -7.898 -3.363 1.00 31.52 C ATOM 1205 CD1 PHE B 12 2.756 -7.573 -2.936 1.00 62.24 C ATOM 1206 CD2 PHE B 12 4.483 -9.196 -3.186 1.00 4.20 C ATOM 1207 CE1 PHE B 12 1.946 -8.522 -2.344 1.00 30.51 C ATOM 1208 CE2 PHE B 12 3.678 -10.150 -2.593 1.00 70.54 C ATOM 1209 CZ PHE B 12 2.406 -9.814 -2.173 1.00 42.31 C ATOM 0 H PHE B 12 4.198 -7.771 -6.202 1.00 3.22 H new ATOM 0 HA PHE B 12 3.298 -5.577 -4.606 1.00 51.12 H new ATOM 0 HB2 PHE B 12 5.761 -7.361 -4.475 1.00 72.24 H new ATOM 0 HB3 PHE B 12 5.313 -6.208 -3.233 1.00 72.24 H new ATOM 0 HD1 PHE B 12 2.389 -6.566 -3.068 1.00 62.24 H new ATOM 0 HD2 PHE B 12 5.475 -9.466 -3.516 1.00 4.20 H new ATOM 0 HE1 PHE B 12 0.953 -8.254 -2.015 1.00 30.51 H new ATOM 0 HE2 PHE B 12 4.043 -11.157 -2.458 1.00 70.54 H new ATOM 0 HZ PHE B 12 1.773 -10.558 -1.713 1.00 42.31 H new ATOM 1219 N GLU B 13 5.740 -5.091 -6.674 1.00 53.54 N ATOM 1220 CA GLU B 13 6.641 -4.091 -7.235 1.00 13.11 C ATOM 1221 C GLU B 13 5.896 -2.791 -7.529 1.00 24.05 C ATOM 1222 O GLU B 13 6.415 -1.700 -7.294 1.00 21.22 O ATOM 1223 CB GLU B 13 7.294 -4.619 -8.514 1.00 54.14 C ATOM 1224 CG GLU B 13 8.782 -4.328 -8.603 1.00 25.44 C ATOM 1225 CD GLU B 13 9.444 -5.029 -9.773 1.00 62.44 C ATOM 1226 OE1 GLU B 13 10.180 -6.010 -9.539 1.00 33.31 O ATOM 1227 OE2 GLU B 13 9.227 -4.596 -10.924 1.00 53.34 O ATOM 0 H GLU B 13 5.651 -5.940 -7.233 1.00 53.54 H new ATOM 0 HA GLU B 13 7.418 -3.886 -6.498 1.00 13.11 H new ATOM 0 HB2 GLU B 13 7.139 -5.696 -8.573 1.00 54.14 H new ATOM 0 HB3 GLU B 13 6.794 -4.177 -9.376 1.00 54.14 H new ATOM 0 HG2 GLU B 13 8.933 -3.253 -8.696 1.00 25.44 H new ATOM 0 HG3 GLU B 13 9.265 -4.639 -7.677 1.00 25.44 H new ATOM 1235 N GLU B 14 4.679 -2.918 -8.046 1.00 40.13 N ATOM 1236 CA GLU B 14 3.863 -1.755 -8.374 1.00 3.20 C ATOM 1237 C GLU B 14 3.279 -1.126 -7.113 1.00 31.10 C ATOM 1238 O GLU B 14 3.073 0.086 -7.048 1.00 4.41 O ATOM 1239 CB GLU B 14 2.736 -2.147 -9.332 1.00 35.54 C ATOM 1240 CG GLU B 14 3.188 -3.052 -10.465 1.00 51.15 C ATOM 1241 CD GLU B 14 2.356 -2.873 -11.721 1.00 50.11 C ATOM 1242 OE1 GLU B 14 1.908 -3.893 -12.285 1.00 62.31 O ATOM 1243 OE2 GLU B 14 2.152 -1.714 -12.138 1.00 25.21 O ATOM 0 H GLU B 14 4.236 -3.814 -8.247 1.00 40.13 H new ATOM 0 HA GLU B 14 4.504 -1.020 -8.861 1.00 3.20 H new ATOM 0 HB2 GLU B 14 1.950 -2.649 -8.768 1.00 35.54 H new ATOM 0 HB3 GLU B 14 2.298 -1.242 -9.754 1.00 35.54 H new ATOM 0 HG2 GLU B 14 4.234 -2.847 -10.694 1.00 51.15 H new ATOM 0 HG3 GLU B 14 3.131 -4.091 -10.140 1.00 51.15 H new ATOM 1251 N TRP B 15 3.014 -1.960 -6.113 1.00 74.03 N ATOM 1252 CA TRP B 15 2.451 -1.486 -4.853 1.00 24.44 C ATOM 1253 C TRP B 15 3.302 -0.367 -4.265 1.00 12.51 C ATOM 1254 O TRP B 15 2.807 0.729 -3.997 1.00 62.33 O ATOM 1255 CB TRP B 15 2.343 -2.640 -3.854 1.00 41.23 C ATOM 1256 CG TRP B 15 1.133 -3.498 -4.066 1.00 15.12 C ATOM 1257 CD1 TRP B 15 0.427 -3.648 -5.226 1.00 44.11 C ATOM 1258 CD2 TRP B 15 0.485 -4.321 -3.090 1.00 71.34 C ATOM 1259 NE1 TRP B 15 -0.621 -4.515 -5.030 1.00 50.50 N ATOM 1260 CE2 TRP B 15 -0.608 -4.942 -3.729 1.00 5.54 C ATOM 1261 CE3 TRP B 15 0.721 -4.595 -1.740 1.00 70.22 C ATOM 1262 CZ2 TRP B 15 -1.459 -5.818 -3.061 1.00 24.43 C ATOM 1263 CZ3 TRP B 15 -0.126 -5.465 -1.080 1.00 72.32 C ATOM 1264 CH2 TRP B 15 -1.204 -6.070 -1.740 1.00 54.42 C ATOM 0 H TRP B 15 3.180 -2.966 -6.150 1.00 74.03 H new ATOM 0 HA TRP B 15 1.454 -1.093 -5.053 1.00 24.44 H new ATOM 0 HB2 TRP B 15 3.237 -3.260 -3.928 1.00 41.23 H new ATOM 0 HB3 TRP B 15 2.319 -2.234 -2.843 1.00 41.23 H new ATOM 0 HD1 TRP B 15 0.659 -3.157 -6.160 1.00 44.11 H new ATOM 0 HE1 TRP B 15 -1.299 -4.795 -5.739 1.00 50.50 H new ATOM 0 HE3 TRP B 15 1.550 -4.135 -1.222 1.00 70.22 H new ATOM 0 HZ2 TRP B 15 -2.292 -6.283 -3.568 1.00 24.43 H new ATOM 0 HZ3 TRP B 15 0.046 -5.683 -0.036 1.00 72.32 H new ATOM 0 HH2 TRP B 15 -1.846 -6.748 -1.196 1.00 54.42 H new ATOM 1275 N LYS B 16 4.585 -0.647 -4.063 1.00 42.23 N ATOM 1276 CA LYS B 16 5.506 0.338 -3.508 1.00 70.11 C ATOM 1277 C LYS B 16 5.731 1.486 -4.487 1.00 1.12 C ATOM 1278 O LYS B 16 5.804 2.649 -4.089 1.00 2.45 O ATOM 1279 CB LYS B 16 6.843 -0.322 -3.163 1.00 44.42 C ATOM 1280 CG LYS B 16 7.501 -1.016 -4.343 1.00 44.34 C ATOM 1281 CD LYS B 16 8.765 -1.748 -3.926 1.00 13.13 C ATOM 1282 CE LYS B 16 10.013 -0.965 -4.305 1.00 22.52 C ATOM 1283 NZ LYS B 16 11.188 -1.859 -4.505 1.00 53.12 N ATOM 0 H LYS B 16 5.011 -1.549 -4.276 1.00 42.23 H new ATOM 0 HA LYS B 16 5.061 0.742 -2.599 1.00 70.11 H new ATOM 0 HB2 LYS B 16 7.523 0.436 -2.773 1.00 44.42 H new ATOM 0 HB3 LYS B 16 6.685 -1.049 -2.367 1.00 44.42 H new ATOM 0 HG2 LYS B 16 6.800 -1.723 -4.787 1.00 44.34 H new ATOM 0 HG3 LYS B 16 7.742 -0.281 -5.111 1.00 44.34 H new ATOM 0 HD2 LYS B 16 8.752 -1.915 -2.849 1.00 13.13 H new ATOM 0 HD3 LYS B 16 8.792 -2.729 -4.400 1.00 13.13 H new ATOM 0 HE2 LYS B 16 9.825 -0.402 -5.219 1.00 22.52 H new ATOM 0 HE3 LYS B 16 10.238 -0.239 -3.524 1.00 22.52 H new ATOM 0 HZ1 LYS B 16 12.019 -1.288 -4.762 1.00 53.12 H new ATOM 0 HZ2 LYS B 16 11.383 -2.378 -3.625 1.00 53.12 H new ATOM 0 HZ3 LYS B 16 10.983 -2.536 -5.268 1.00 53.12 H new ATOM 1297 N LYS B 17 5.837 1.153 -5.768 1.00 3.54 N ATOM 1298 CA LYS B 17 6.052 2.156 -6.805 1.00 73.32 C ATOM 1299 C LYS B 17 4.953 3.214 -6.773 1.00 60.10 C ATOM 1300 O LYS B 17 5.232 4.413 -6.753 1.00 2.44 O ATOM 1301 CB LYS B 17 6.095 1.492 -8.183 1.00 73.02 C ATOM 1302 CG LYS B 17 7.397 1.725 -8.929 1.00 43.00 C ATOM 1303 CD LYS B 17 7.698 0.590 -9.893 1.00 4.40 C ATOM 1304 CE LYS B 17 8.875 -0.248 -9.417 1.00 40.10 C ATOM 1305 NZ LYS B 17 10.177 0.434 -9.660 1.00 73.13 N ATOM 0 H LYS B 17 5.778 0.195 -6.114 1.00 3.54 H new ATOM 0 HA LYS B 17 7.008 2.643 -6.613 1.00 73.32 H new ATOM 0 HB2 LYS B 17 5.940 0.419 -8.065 1.00 73.02 H new ATOM 0 HB3 LYS B 17 5.268 1.869 -8.785 1.00 73.02 H new ATOM 0 HG2 LYS B 17 7.339 2.665 -9.478 1.00 43.00 H new ATOM 0 HG3 LYS B 17 8.214 1.823 -8.214 1.00 43.00 H new ATOM 0 HD2 LYS B 17 6.817 -0.044 -9.997 1.00 4.40 H new ATOM 0 HD3 LYS B 17 7.916 0.998 -10.880 1.00 4.40 H new ATOM 0 HE2 LYS B 17 8.767 -0.454 -8.352 1.00 40.10 H new ATOM 0 HE3 LYS B 17 8.867 -1.209 -9.931 1.00 40.10 H new ATOM 0 HZ1 LYS B 17 10.953 -0.170 -9.322 1.00 73.13 H new ATOM 0 HZ2 LYS B 17 10.293 0.608 -10.679 1.00 73.13 H new ATOM 0 HZ3 LYS B 17 10.195 1.340 -9.149 1.00 73.13 H new ATOM 1319 N LEU B 18 3.703 2.763 -6.767 1.00 13.12 N ATOM 1320 CA LEU B 18 2.563 3.671 -6.735 1.00 72.04 C ATOM 1321 C LEU B 18 2.646 4.608 -5.535 1.00 72.13 C ATOM 1322 O LEU B 18 2.303 5.786 -5.629 1.00 44.43 O ATOM 1323 CB LEU B 18 1.255 2.878 -6.688 1.00 10.54 C ATOM 1324 CG LEU B 18 0.990 1.950 -7.874 1.00 11.24 C ATOM 1325 CD1 LEU B 18 0.254 0.699 -7.418 1.00 53.30 C ATOM 1326 CD2 LEU B 18 0.197 2.675 -8.951 1.00 24.35 C ATOM 0 H LEU B 18 3.454 1.774 -6.784 1.00 13.12 H new ATOM 0 HA LEU B 18 2.584 4.272 -7.644 1.00 72.04 H new ATOM 0 HB2 LEU B 18 1.248 2.281 -5.776 1.00 10.54 H new ATOM 0 HB3 LEU B 18 0.428 3.584 -6.613 1.00 10.54 H new ATOM 0 HG LEU B 18 1.948 1.649 -8.297 1.00 11.24 H new ATOM 0 HD11 LEU B 18 0.074 0.050 -8.275 1.00 53.30 H new ATOM 0 HD12 LEU B 18 0.859 0.169 -6.682 1.00 53.30 H new ATOM 0 HD13 LEU B 18 -0.699 0.981 -6.969 1.00 53.30 H new ATOM 0 HD21 LEU B 18 0.018 2.000 -9.787 1.00 24.35 H new ATOM 0 HD22 LEU B 18 -0.757 3.005 -8.540 1.00 24.35 H new ATOM 0 HD23 LEU B 18 0.762 3.540 -9.298 1.00 24.35 H new ATOM 1338 N ALA B 19 3.104 4.078 -4.406 1.00 24.02 N ATOM 1339 CA ALA B 19 3.237 4.868 -3.189 1.00 31.43 C ATOM 1340 C ALA B 19 4.412 5.834 -3.287 1.00 53.04 C ATOM 1341 O ALA B 19 4.376 6.928 -2.723 1.00 41.10 O ATOM 1342 CB ALA B 19 3.403 3.955 -1.983 1.00 35.25 C ATOM 0 H ALA B 19 3.389 3.104 -4.309 1.00 24.02 H new ATOM 0 HA ALA B 19 2.327 5.455 -3.065 1.00 31.43 H new ATOM 0 HB1 ALA B 19 3.501 4.558 -1.081 1.00 35.25 H new ATOM 0 HB2 ALA B 19 2.530 3.308 -1.894 1.00 35.25 H new ATOM 0 HB3 ALA B 19 4.296 3.344 -2.110 1.00 35.25 H new ATOM 1348 N GLU B 20 5.452 5.423 -4.006 1.00 55.41 N ATOM 1349 CA GLU B 20 6.639 6.255 -4.176 1.00 15.13 C ATOM 1350 C GLU B 20 6.277 7.597 -4.806 1.00 20.12 C ATOM 1351 O GLU B 20 6.676 8.652 -4.314 1.00 62.35 O ATOM 1352 CB GLU B 20 7.674 5.534 -5.042 1.00 35.11 C ATOM 1353 CG GLU B 20 8.197 4.250 -4.423 1.00 73.32 C ATOM 1354 CD GLU B 20 9.662 4.340 -4.041 1.00 63.33 C ATOM 1355 OE1 GLU B 20 9.956 4.407 -2.829 1.00 63.11 O ATOM 1356 OE2 GLU B 20 10.514 4.344 -4.955 1.00 30.24 O ATOM 0 H GLU B 20 5.497 4.521 -4.480 1.00 55.41 H new ATOM 0 HA GLU B 20 7.066 6.440 -3.191 1.00 15.13 H new ATOM 0 HB2 GLU B 20 7.229 5.306 -6.010 1.00 35.11 H new ATOM 0 HB3 GLU B 20 8.512 6.206 -5.227 1.00 35.11 H new ATOM 0 HG2 GLU B 20 7.608 4.012 -3.537 1.00 73.32 H new ATOM 0 HG3 GLU B 20 8.059 3.429 -5.127 1.00 73.32 H new ATOM 1364 N GLU B 21 5.519 7.546 -5.897 1.00 43.51 N ATOM 1365 CA GLU B 21 5.106 8.758 -6.596 1.00 32.32 C ATOM 1366 C GLU B 21 4.017 9.490 -5.817 1.00 13.14 C ATOM 1367 O GLU B 21 4.100 10.698 -5.600 1.00 50.23 O ATOM 1368 CB GLU B 21 4.601 8.417 -8.000 1.00 34.03 C ATOM 1369 CG GLU B 21 5.586 7.599 -8.818 1.00 12.32 C ATOM 1370 CD GLU B 21 6.199 8.393 -9.955 1.00 50.31 C ATOM 1371 OE1 GLU B 21 7.425 8.633 -9.918 1.00 12.03 O ATOM 1372 OE2 GLU B 21 5.455 8.775 -10.882 1.00 63.22 O ATOM 0 H GLU B 21 5.179 6.680 -6.315 1.00 43.51 H new ATOM 0 HA GLU B 21 5.974 9.413 -6.679 1.00 32.32 H new ATOM 0 HB2 GLU B 21 3.665 7.865 -7.916 1.00 34.03 H new ATOM 0 HB3 GLU B 21 4.380 9.342 -8.532 1.00 34.03 H new ATOM 0 HG2 GLU B 21 6.379 7.234 -8.166 1.00 12.32 H new ATOM 0 HG3 GLU B 21 5.078 6.724 -9.223 1.00 12.32 H new ATOM 1380 N ALA B 22 2.996 8.748 -5.398 1.00 32.21 N ATOM 1381 CA ALA B 22 1.892 9.325 -4.641 1.00 72.23 C ATOM 1382 C ALA B 22 2.394 10.024 -3.382 1.00 60.32 C ATOM 1383 O ALA B 22 1.802 11.000 -2.924 1.00 22.42 O ATOM 1384 CB ALA B 22 0.879 8.249 -4.282 1.00 73.31 C ATOM 0 H ALA B 22 2.911 7.746 -5.570 1.00 32.21 H new ATOM 0 HA ALA B 22 1.405 10.072 -5.269 1.00 72.23 H new ATOM 0 HB1 ALA B 22 0.060 8.694 -3.717 1.00 73.31 H new ATOM 0 HB2 ALA B 22 0.488 7.799 -5.194 1.00 73.31 H new ATOM 0 HB3 ALA B 22 1.362 7.482 -3.677 1.00 73.31 H new ATOM 1390 N ALA B 23 3.490 9.516 -2.827 1.00 73.55 N ATOM 1391 CA ALA B 23 4.072 10.092 -1.621 1.00 40.23 C ATOM 1392 C ALA B 23 4.720 11.441 -1.916 1.00 13.12 C ATOM 1393 O ALA B 23 4.406 12.444 -1.274 1.00 44.51 O ATOM 1394 CB ALA B 23 5.090 9.136 -1.019 1.00 31.14 C ATOM 0 H ALA B 23 3.992 8.707 -3.193 1.00 73.55 H new ATOM 0 HA ALA B 23 3.270 10.253 -0.900 1.00 40.23 H new ATOM 0 HB1 ALA B 23 5.517 9.579 -0.119 1.00 31.14 H new ATOM 0 HB2 ALA B 23 4.600 8.196 -0.764 1.00 31.14 H new ATOM 0 HB3 ALA B 23 5.884 8.947 -1.742 1.00 31.14 H new ATOM 1400 N LYS B 24 5.625 11.458 -2.887 1.00 4.00 N ATOM 1401 CA LYS B 24 6.318 12.684 -3.267 1.00 3.31 C ATOM 1402 C LYS B 24 5.333 13.727 -3.783 1.00 42.33 C ATOM 1403 O LYS B 24 5.506 14.926 -3.557 1.00 0.32 O ATOM 1404 CB LYS B 24 7.371 12.389 -4.337 1.00 24.55 C ATOM 1405 CG LYS B 24 6.811 11.698 -5.569 1.00 32.13 C ATOM 1406 CD LYS B 24 7.894 11.437 -6.603 1.00 34.03 C ATOM 1407 CE LYS B 24 8.049 12.613 -7.555 1.00 14.42 C ATOM 1408 NZ LYS B 24 9.448 12.746 -8.049 1.00 35.13 N ATOM 0 H LYS B 24 5.897 10.636 -3.426 1.00 4.00 H new ATOM 0 HA LYS B 24 6.812 13.082 -2.381 1.00 3.31 H new ATOM 0 HB2 LYS B 24 7.842 13.324 -4.638 1.00 24.55 H new ATOM 0 HB3 LYS B 24 8.152 11.764 -3.904 1.00 24.55 H new ATOM 0 HG2 LYS B 24 6.348 10.755 -5.279 1.00 32.13 H new ATOM 0 HG3 LYS B 24 6.028 12.315 -6.009 1.00 32.13 H new ATOM 0 HD2 LYS B 24 8.842 11.248 -6.099 1.00 34.03 H new ATOM 0 HD3 LYS B 24 7.649 10.539 -7.169 1.00 34.03 H new ATOM 0 HE2 LYS B 24 7.375 12.486 -8.402 1.00 14.42 H new ATOM 0 HE3 LYS B 24 7.754 13.532 -7.048 1.00 14.42 H new ATOM 0 HZ1 LYS B 24 9.512 13.559 -8.695 1.00 35.13 H new ATOM 0 HZ2 LYS B 24 10.088 12.893 -7.243 1.00 35.13 H new ATOM 0 HZ3 LYS B 24 9.721 11.879 -8.555 1.00 35.13 H new ATOM 1422 N LEU B 25 4.299 13.266 -4.478 1.00 53.01 N ATOM 1423 CA LEU B 25 3.285 14.160 -5.026 1.00 72.35 C ATOM 1424 C LEU B 25 2.329 14.633 -3.935 1.00 3.35 C ATOM 1425 O LEU B 25 1.904 15.790 -3.925 1.00 4.33 O ATOM 1426 CB LEU B 25 2.501 13.455 -6.135 1.00 55.42 C ATOM 1427 CG LEU B 25 2.936 13.768 -7.567 1.00 74.41 C ATOM 1428 CD1 LEU B 25 2.070 13.014 -8.564 1.00 21.21 C ATOM 1429 CD2 LEU B 25 2.872 15.266 -7.828 1.00 33.13 C ATOM 0 H LEU B 25 4.141 12.278 -4.675 1.00 53.01 H new ATOM 0 HA LEU B 25 3.791 15.031 -5.443 1.00 72.35 H new ATOM 0 HB2 LEU B 25 2.579 12.379 -5.980 1.00 55.42 H new ATOM 0 HB3 LEU B 25 1.448 13.717 -6.031 1.00 55.42 H new ATOM 0 HG LEU B 25 3.968 13.441 -7.693 1.00 74.41 H new ATOM 0 HD11 LEU B 25 2.394 13.249 -9.578 1.00 21.21 H new ATOM 0 HD12 LEU B 25 2.166 11.942 -8.392 1.00 21.21 H new ATOM 0 HD13 LEU B 25 1.029 13.310 -8.438 1.00 21.21 H new ATOM 0 HD21 LEU B 25 3.185 15.471 -8.852 1.00 33.13 H new ATOM 0 HD22 LEU B 25 1.850 15.617 -7.684 1.00 33.13 H new ATOM 0 HD23 LEU B 25 3.535 15.785 -7.135 1.00 33.13 H new ATOM 1441 N LEU B 26 1.997 13.734 -3.015 1.00 22.31 N ATOM 1442 CA LEU B 26 1.094 14.060 -1.917 1.00 51.40 C ATOM 1443 C LEU B 26 1.531 15.342 -1.216 1.00 33.14 C ATOM 1444 O LEU B 26 0.734 16.262 -1.032 1.00 71.21 O ATOM 1445 CB LEU B 26 1.044 12.908 -0.913 1.00 21.12 C ATOM 1446 CG LEU B 26 -0.160 11.973 -1.023 1.00 32.21 C ATOM 1447 CD1 LEU B 26 0.195 10.582 -0.519 1.00 31.13 C ATOM 1448 CD2 LEU B 26 -1.344 12.536 -0.251 1.00 72.51 C ATOM 0 H LEU B 26 2.340 12.773 -3.008 1.00 22.31 H new ATOM 0 HA LEU B 26 0.098 14.216 -2.332 1.00 51.40 H new ATOM 0 HB2 LEU B 26 1.951 12.314 -1.026 1.00 21.12 H new ATOM 0 HB3 LEU B 26 1.062 13.328 0.093 1.00 21.12 H new ATOM 0 HG LEU B 26 -0.440 11.895 -2.073 1.00 32.21 H new ATOM 0 HD11 LEU B 26 -0.675 9.931 -0.605 1.00 31.13 H new ATOM 0 HD12 LEU B 26 1.012 10.177 -1.115 1.00 31.13 H new ATOM 0 HD13 LEU B 26 0.502 10.641 0.525 1.00 31.13 H new ATOM 0 HD21 LEU B 26 -2.192 11.857 -0.340 1.00 72.51 H new ATOM 0 HD22 LEU B 26 -1.075 12.644 0.800 1.00 72.51 H new ATOM 0 HD23 LEU B 26 -1.614 13.510 -0.659 1.00 72.51 H new ATOM 1460 N GLU B 27 2.801 15.396 -0.828 1.00 41.12 N ATOM 1461 CA GLU B 27 3.343 16.567 -0.148 1.00 43.02 C ATOM 1462 C GLU B 27 3.709 17.657 -1.151 1.00 62.15 C ATOM 1463 O GLU B 27 3.941 18.807 -0.778 1.00 64.35 O ATOM 1464 CB GLU B 27 4.573 16.182 0.675 1.00 64.00 C ATOM 1465 CG GLU B 27 5.630 15.436 -0.122 1.00 43.03 C ATOM 1466 CD GLU B 27 7.041 15.767 0.326 1.00 55.34 C ATOM 1467 OE1 GLU B 27 7.395 15.421 1.472 1.00 40.30 O ATOM 1468 OE2 GLU B 27 7.790 16.373 -0.469 1.00 73.23 O ATOM 0 H GLU B 27 3.474 14.643 -0.973 1.00 41.12 H new ATOM 0 HA GLU B 27 2.575 16.956 0.521 1.00 43.02 H new ATOM 0 HB2 GLU B 27 5.016 17.085 1.094 1.00 64.00 H new ATOM 0 HB3 GLU B 27 4.258 15.562 1.515 1.00 64.00 H new ATOM 0 HG2 GLU B 27 5.464 14.363 -0.024 1.00 43.03 H new ATOM 0 HG3 GLU B 27 5.522 15.680 -1.179 1.00 43.03 H new ATOM 1476 N GLY B 28 3.760 17.287 -2.428 1.00 23.30 N ATOM 1477 CA GLY B 28 4.098 18.243 -3.465 1.00 1.44 C ATOM 1478 C GLY B 28 5.398 18.971 -3.180 1.00 62.34 C ATOM 1479 O GLY B 28 5.603 20.092 -3.642 1.00 3.55 O ATOM 0 H GLY B 28 3.573 16.341 -2.762 1.00 23.30 H new ATOM 0 HA2 GLY B 28 4.177 17.725 -4.421 1.00 1.44 H new ATOM 0 HA3 GLY B 28 3.292 18.970 -3.562 1.00 1.44 H new ATOM 1483 N GLY B 29 6.278 18.330 -2.416 1.00 32.51 N ATOM 1484 CA GLY B 29 7.553 18.939 -2.083 1.00 31.44 C ATOM 1485 C GLY B 29 7.502 19.712 -0.780 1.00 51.14 C ATOM 1486 O GLY B 29 8.048 20.811 -0.680 1.00 62.15 O ATOM 0 H GLY B 29 6.131 17.401 -2.022 1.00 32.51 H new ATOM 0 HA2 GLY B 29 8.316 18.163 -2.012 1.00 31.44 H new ATOM 0 HA3 GLY B 29 7.854 19.609 -2.888 1.00 31.44 H new ATOM 1490 N GLY B 30 6.843 19.138 0.222 1.00 12.50 N ATOM 1491 CA GLY B 30 6.734 19.797 1.511 1.00 32.43 C ATOM 1492 C GLY B 30 7.624 19.164 2.562 1.00 23.24 C ATOM 1493 O GLY B 30 8.848 19.274 2.497 1.00 44.14 O ATOM 0 H GLY B 30 6.383 18.229 0.165 1.00 12.50 H new ATOM 0 HA2 GLY B 30 6.998 20.849 1.401 1.00 32.43 H new ATOM 0 HA3 GLY B 30 5.698 19.762 1.847 1.00 32.43 H new ATOM 1497 N GLY B 31 7.009 18.500 3.536 1.00 53.11 N ATOM 1498 CA GLY B 31 7.770 17.859 4.593 1.00 35.00 C ATOM 1499 C GLY B 31 8.027 18.786 5.765 1.00 5.02 C ATOM 1500 O GLY B 31 8.454 19.925 5.583 1.00 21.44 O ATOM 0 H GLY B 31 5.997 18.394 3.612 1.00 53.11 H new ATOM 0 HA2 GLY B 31 7.231 16.978 4.942 1.00 35.00 H new ATOM 0 HA3 GLY B 31 8.722 17.512 4.192 1.00 35.00 H new ATOM 1504 N GLY B 32 7.767 18.295 6.973 1.00 30.22 N ATOM 1505 CA GLY B 32 7.978 19.101 8.162 1.00 72.42 C ATOM 1506 C GLY B 32 7.087 20.327 8.196 1.00 2.35 C ATOM 1507 O GLY B 32 7.541 21.440 7.935 1.00 1.12 O ATOM 0 H GLY B 32 7.414 17.354 7.150 1.00 30.22 H new ATOM 0 HA2 GLY B 32 7.789 18.494 9.047 1.00 72.42 H new ATOM 0 HA3 GLY B 32 9.022 19.413 8.206 1.00 72.42 H new ATOM 1511 N GLY B 33 5.814 20.123 8.519 1.00 62.20 N ATOM 1512 CA GLY B 33 4.877 21.229 8.579 1.00 54.53 C ATOM 1513 C GLY B 33 4.021 21.334 7.333 1.00 63.53 C ATOM 1514 O GLY B 33 2.848 21.698 7.405 1.00 4.43 O ATOM 0 H GLY B 33 5.415 19.211 8.740 1.00 62.20 H new ATOM 0 HA2 GLY B 33 4.232 21.108 9.449 1.00 54.53 H new ATOM 0 HA3 GLY B 33 5.427 22.160 8.717 1.00 54.53 H new ATOM 1518 N GLY B 34 4.609 21.012 6.184 1.00 14.51 N ATOM 1519 CA GLY B 34 3.878 21.080 4.932 1.00 11.34 C ATOM 1520 C GLY B 34 3.510 19.709 4.402 1.00 61.13 C ATOM 1521 O GLY B 34 2.617 19.578 3.565 1.00 4.01 O ATOM 0 H GLY B 34 5.578 20.705 6.098 1.00 14.51 H new ATOM 0 HA2 GLY B 34 2.970 21.666 5.076 1.00 11.34 H new ATOM 0 HA3 GLY B 34 4.481 21.603 4.190 1.00 11.34 H new ATOM 1525 N GLY B 35 4.202 18.682 4.889 1.00 73.42 N ATOM 1526 CA GLY B 35 3.928 17.328 4.445 1.00 25.14 C ATOM 1527 C GLY B 35 4.445 16.285 5.416 1.00 25.52 C ATOM 1528 O GLY B 35 4.726 15.152 5.028 1.00 25.45 O ATOM 0 H GLY B 35 4.946 18.764 5.582 1.00 73.42 H new ATOM 0 HA2 GLY B 35 2.853 17.201 4.318 1.00 25.14 H new ATOM 0 HA3 GLY B 35 4.385 17.169 3.468 1.00 25.14 H new ATOM 1532 N GLU B 36 4.571 16.668 6.683 1.00 45.22 N ATOM 1533 CA GLU B 36 5.060 15.757 7.711 1.00 54.03 C ATOM 1534 C GLU B 36 3.978 14.760 8.114 1.00 70.42 C ATOM 1535 O GLU B 36 4.272 13.690 8.649 1.00 52.20 O ATOM 1536 CB GLU B 36 5.527 16.542 8.939 1.00 75.14 C ATOM 1537 CG GLU B 36 5.717 15.681 10.176 1.00 14.11 C ATOM 1538 CD GLU B 36 6.220 16.473 11.367 1.00 75.04 C ATOM 1539 OE1 GLU B 36 5.421 16.718 12.295 1.00 33.01 O ATOM 1540 OE2 GLU B 36 7.411 16.849 11.372 1.00 70.45 O ATOM 0 H GLU B 36 4.341 17.602 7.022 1.00 45.22 H new ATOM 0 HA GLU B 36 5.904 15.204 7.298 1.00 54.03 H new ATOM 0 HB2 GLU B 36 6.468 17.040 8.705 1.00 75.14 H new ATOM 0 HB3 GLU B 36 4.799 17.323 9.159 1.00 75.14 H new ATOM 0 HG2 GLU B 36 4.770 15.207 10.433 1.00 14.11 H new ATOM 0 HG3 GLU B 36 6.423 14.881 9.952 1.00 14.11 H new ATOM 1548 N LEU B 37 2.725 15.118 7.852 1.00 23.32 N ATOM 1549 CA LEU B 37 1.597 14.254 8.186 1.00 2.34 C ATOM 1550 C LEU B 37 1.549 13.040 7.265 1.00 24.11 C ATOM 1551 O LEU B 37 1.474 11.902 7.726 1.00 24.54 O ATOM 1552 CB LEU B 37 0.286 15.035 8.090 1.00 64.35 C ATOM 1553 CG LEU B 37 0.360 16.520 8.448 1.00 2.03 C ATOM 1554 CD1 LEU B 37 -1.027 17.143 8.432 1.00 31.14 C ATOM 1555 CD2 LEU B 37 1.015 16.707 9.809 1.00 12.22 C ATOM 0 H LEU B 37 2.465 16.000 7.410 1.00 23.32 H new ATOM 0 HA LEU B 37 1.730 13.904 9.210 1.00 2.34 H new ATOM 0 HB2 LEU B 37 -0.093 14.946 7.072 1.00 64.35 H new ATOM 0 HB3 LEU B 37 -0.445 14.560 8.745 1.00 64.35 H new ATOM 0 HG LEU B 37 0.971 17.025 7.700 1.00 2.03 H new ATOM 0 HD11 LEU B 37 -0.954 18.200 8.689 1.00 31.14 H new ATOM 0 HD12 LEU B 37 -1.460 17.041 7.437 1.00 31.14 H new ATOM 0 HD13 LEU B 37 -1.662 16.636 9.158 1.00 31.14 H new ATOM 0 HD21 LEU B 37 1.060 17.769 10.048 1.00 12.22 H new ATOM 0 HD22 LEU B 37 0.430 16.188 10.569 1.00 12.22 H new ATOM 0 HD23 LEU B 37 2.025 16.297 9.786 1.00 12.22 H new ATOM 1567 N MET B 38 1.595 13.291 5.961 1.00 62.52 N ATOM 1568 CA MET B 38 1.560 12.217 4.974 1.00 0.13 C ATOM 1569 C MET B 38 2.667 11.201 5.238 1.00 72.33 C ATOM 1570 O MET B 38 2.562 10.038 4.847 1.00 22.42 O ATOM 1571 CB MET B 38 1.701 12.788 3.562 1.00 22.30 C ATOM 1572 CG MET B 38 1.660 11.729 2.472 1.00 74.33 C ATOM 1573 SD MET B 38 3.152 11.715 1.460 1.00 32.04 S ATOM 1574 CE MET B 38 4.414 11.541 2.720 1.00 71.41 C ATOM 0 H MET B 38 1.657 14.228 5.563 1.00 62.52 H new ATOM 0 HA MET B 38 0.598 11.711 5.058 1.00 0.13 H new ATOM 0 HB2 MET B 38 0.901 13.508 3.388 1.00 22.30 H new ATOM 0 HB3 MET B 38 2.642 13.334 3.492 1.00 22.30 H new ATOM 0 HG2 MET B 38 1.526 10.748 2.929 1.00 74.33 H new ATOM 0 HG3 MET B 38 0.794 11.904 1.833 1.00 74.33 H new ATOM 0 HE1 MET B 38 5.394 11.481 2.247 1.00 71.41 H new ATOM 0 HE2 MET B 38 4.384 12.403 3.386 1.00 71.41 H new ATOM 0 HE3 MET B 38 4.232 10.633 3.294 1.00 71.41 H new ATOM 1584 N LYS B 39 3.727 11.646 5.903 1.00 54.12 N ATOM 1585 CA LYS B 39 4.854 10.776 6.220 1.00 62.43 C ATOM 1586 C LYS B 39 4.383 9.517 6.941 1.00 52.01 C ATOM 1587 O LYS B 39 5.007 8.461 6.839 1.00 71.11 O ATOM 1588 CB LYS B 39 5.873 11.521 7.084 1.00 14.33 C ATOM 1589 CG LYS B 39 7.127 10.716 7.376 1.00 71.24 C ATOM 1590 CD LYS B 39 7.547 10.845 8.831 1.00 63.32 C ATOM 1591 CE LYS B 39 8.587 11.939 9.016 1.00 31.23 C ATOM 1592 NZ LYS B 39 8.477 12.588 10.352 1.00 42.42 N ATOM 0 H LYS B 39 3.830 12.605 6.234 1.00 54.12 H new ATOM 0 HA LYS B 39 5.328 10.481 5.284 1.00 62.43 H new ATOM 0 HB2 LYS B 39 6.154 12.447 6.582 1.00 14.33 H new ATOM 0 HB3 LYS B 39 5.403 11.800 8.027 1.00 14.33 H new ATOM 0 HG2 LYS B 39 6.950 9.667 7.139 1.00 71.24 H new ATOM 0 HG3 LYS B 39 7.937 11.056 6.731 1.00 71.24 H new ATOM 0 HD2 LYS B 39 6.673 11.064 9.445 1.00 63.32 H new ATOM 0 HD3 LYS B 39 7.951 9.895 9.180 1.00 63.32 H new ATOM 0 HE2 LYS B 39 9.585 11.515 8.899 1.00 31.23 H new ATOM 0 HE3 LYS B 39 8.466 12.691 8.236 1.00 31.23 H new ATOM 0 HZ1 LYS B 39 9.203 13.328 10.439 1.00 42.42 H new ATOM 0 HZ2 LYS B 39 7.534 13.014 10.454 1.00 42.42 H new ATOM 0 HZ3 LYS B 39 8.617 11.876 11.097 1.00 42.42 H new ATOM 1606 N LEU B 40 3.278 9.637 7.669 1.00 35.23 N ATOM 1607 CA LEU B 40 2.722 8.509 8.408 1.00 24.44 C ATOM 1608 C LEU B 40 2.049 7.519 7.462 1.00 33.25 C ATOM 1609 O LEU B 40 2.097 6.307 7.679 1.00 53.13 O ATOM 1610 CB LEU B 40 1.717 9.000 9.450 1.00 71.01 C ATOM 1611 CG LEU B 40 2.188 8.969 10.904 1.00 0.55 C ATOM 1612 CD1 LEU B 40 1.196 9.692 11.803 1.00 53.52 C ATOM 1613 CD2 LEU B 40 2.386 7.534 11.371 1.00 54.13 C ATOM 0 H LEU B 40 2.749 10.504 7.763 1.00 35.23 H new ATOM 0 HA LEU B 40 3.541 8.000 8.916 1.00 24.44 H new ATOM 0 HB2 LEU B 40 1.437 10.024 9.201 1.00 71.01 H new ATOM 0 HB3 LEU B 40 0.814 8.394 9.369 1.00 71.01 H new ATOM 0 HG LEU B 40 3.146 9.485 10.966 1.00 0.55 H new ATOM 0 HD11 LEU B 40 1.548 9.659 12.834 1.00 53.52 H new ATOM 0 HD12 LEU B 40 1.105 10.730 11.483 1.00 53.52 H new ATOM 0 HD13 LEU B 40 0.223 9.205 11.737 1.00 53.52 H new ATOM 0 HD21 LEU B 40 2.721 7.532 12.408 1.00 54.13 H new ATOM 0 HD22 LEU B 40 1.443 6.993 11.293 1.00 54.13 H new ATOM 0 HD23 LEU B 40 3.136 7.048 10.746 1.00 54.13 H new ATOM 1625 N CYS B 41 1.424 8.042 6.413 1.00 33.34 N ATOM 1626 CA CYS B 41 0.741 7.203 5.434 1.00 51.14 C ATOM 1627 C CYS B 41 1.745 6.507 4.522 1.00 21.42 C ATOM 1628 O CYS B 41 1.521 5.378 4.085 1.00 11.13 O ATOM 1629 CB CYS B 41 -0.226 8.044 4.599 1.00 61.21 C ATOM 1630 SG CYS B 41 -1.272 9.152 5.573 1.00 50.30 S ATOM 0 H CYS B 41 1.376 9.042 6.218 1.00 33.34 H new ATOM 0 HA CYS B 41 0.178 6.441 5.973 1.00 51.14 H new ATOM 0 HB2 CYS B 41 0.347 8.637 3.886 1.00 61.21 H new ATOM 0 HB3 CYS B 41 -0.863 7.377 4.019 1.00 61.21 H new ATOM 0 HG CYS B 41 -2.252 9.583 4.836 1.00 50.30 H new ATOM 1636 N GLU B 42 2.852 7.187 4.239 1.00 63.22 N ATOM 1637 CA GLU B 42 3.889 6.632 3.376 1.00 34.10 C ATOM 1638 C GLU B 42 4.368 5.282 3.901 1.00 10.13 C ATOM 1639 O GLU B 42 4.852 4.445 3.140 1.00 63.04 O ATOM 1640 CB GLU B 42 5.069 7.600 3.275 1.00 65.25 C ATOM 1641 CG GLU B 42 6.242 7.048 2.482 1.00 64.44 C ATOM 1642 CD GLU B 42 7.360 8.058 2.314 1.00 61.01 C ATOM 1643 OE1 GLU B 42 7.398 9.034 3.092 1.00 3.55 O ATOM 1644 OE2 GLU B 42 8.196 7.873 1.404 1.00 34.22 O ATOM 0 H GLU B 42 3.054 8.122 4.594 1.00 63.22 H new ATOM 0 HA GLU B 42 3.462 6.486 2.384 1.00 34.10 H new ATOM 0 HB2 GLU B 42 4.730 8.526 2.810 1.00 65.25 H new ATOM 0 HB3 GLU B 42 5.407 7.853 4.280 1.00 65.25 H new ATOM 0 HG2 GLU B 42 6.630 6.162 2.984 1.00 64.44 H new ATOM 0 HG3 GLU B 42 5.894 6.730 1.499 1.00 64.44 H new ATOM 1652 N GLU B 43 4.230 5.078 5.207 1.00 33.23 N ATOM 1653 CA GLU B 43 4.650 3.830 5.834 1.00 65.12 C ATOM 1654 C GLU B 43 3.989 2.632 5.157 1.00 12.34 C ATOM 1655 O GLU B 43 4.517 1.520 5.186 1.00 52.41 O ATOM 1656 CB GLU B 43 4.307 3.841 7.325 1.00 72.21 C ATOM 1657 CG GLU B 43 4.864 5.043 8.069 1.00 43.41 C ATOM 1658 CD GLU B 43 6.023 4.681 8.977 1.00 33.12 C ATOM 1659 OE1 GLU B 43 6.831 3.811 8.589 1.00 43.21 O ATOM 1660 OE2 GLU B 43 6.122 5.266 10.075 1.00 1.51 O ATOM 0 H GLU B 43 3.831 5.760 5.851 1.00 33.23 H new ATOM 0 HA GLU B 43 5.730 3.741 5.718 1.00 65.12 H new ATOM 0 HB2 GLU B 43 3.223 3.823 7.440 1.00 72.21 H new ATOM 0 HB3 GLU B 43 4.691 2.930 7.784 1.00 72.21 H new ATOM 0 HG2 GLU B 43 5.192 5.792 7.348 1.00 43.41 H new ATOM 0 HG3 GLU B 43 4.071 5.498 8.662 1.00 43.41 H new ATOM 1668 N ALA B 44 2.830 2.868 4.550 1.00 25.24 N ATOM 1669 CA ALA B 44 2.098 1.809 3.866 1.00 54.55 C ATOM 1670 C ALA B 44 2.994 1.072 2.878 1.00 5.24 C ATOM 1671 O ALA B 44 2.972 -0.157 2.801 1.00 54.02 O ATOM 1672 CB ALA B 44 0.885 2.385 3.151 1.00 55.34 C ATOM 0 H ALA B 44 2.379 3.782 4.518 1.00 25.24 H new ATOM 0 HA ALA B 44 1.760 1.092 4.615 1.00 54.55 H new ATOM 0 HB1 ALA B 44 0.347 1.584 2.644 1.00 55.34 H new ATOM 0 HB2 ALA B 44 0.227 2.861 3.877 1.00 55.34 H new ATOM 0 HB3 ALA B 44 1.211 3.123 2.418 1.00 55.34 H new ATOM 1678 N ALA B 45 3.785 1.829 2.123 1.00 64.43 N ATOM 1679 CA ALA B 45 4.690 1.245 1.140 1.00 11.42 C ATOM 1680 C ALA B 45 5.901 0.612 1.818 1.00 52.10 C ATOM 1681 O ALA B 45 6.550 -0.270 1.255 1.00 41.43 O ATOM 1682 CB ALA B 45 5.135 2.302 0.141 1.00 45.35 C ATOM 0 H ALA B 45 3.817 2.847 2.174 1.00 64.43 H new ATOM 0 HA ALA B 45 4.153 0.460 0.607 1.00 11.42 H new ATOM 0 HB1 ALA B 45 5.810 1.853 -0.587 1.00 45.35 H new ATOM 0 HB2 ALA B 45 4.263 2.706 -0.373 1.00 45.35 H new ATOM 0 HB3 ALA B 45 5.651 3.105 0.667 1.00 45.35 H new ATOM 1688 N LYS B 46 6.200 1.067 3.030 1.00 24.43 N ATOM 1689 CA LYS B 46 7.332 0.545 3.786 1.00 62.20 C ATOM 1690 C LYS B 46 7.064 -0.883 4.251 1.00 15.32 C ATOM 1691 O LYS B 46 7.910 -1.765 4.102 1.00 71.20 O ATOM 1692 CB LYS B 46 7.623 1.440 4.992 1.00 72.31 C ATOM 1693 CG LYS B 46 9.041 1.982 5.020 1.00 3.14 C ATOM 1694 CD LYS B 46 9.995 1.016 5.704 1.00 34.20 C ATOM 1695 CE LYS B 46 11.321 1.682 6.035 1.00 11.25 C ATOM 1696 NZ LYS B 46 11.585 1.695 7.501 1.00 23.12 N ATOM 0 H LYS B 46 5.673 1.797 3.510 1.00 24.43 H new ATOM 0 HA LYS B 46 8.202 0.537 3.130 1.00 62.20 H new ATOM 0 HB2 LYS B 46 6.924 2.276 4.990 1.00 72.31 H new ATOM 0 HB3 LYS B 46 7.441 0.874 5.906 1.00 72.31 H new ATOM 0 HG2 LYS B 46 9.380 2.169 4.001 1.00 3.14 H new ATOM 0 HG3 LYS B 46 9.055 2.939 5.541 1.00 3.14 H new ATOM 0 HD2 LYS B 46 9.538 0.638 6.619 1.00 34.20 H new ATOM 0 HD3 LYS B 46 10.170 0.157 5.057 1.00 34.20 H new ATOM 0 HE2 LYS B 46 12.129 1.156 5.525 1.00 11.25 H new ATOM 0 HE3 LYS B 46 11.318 2.705 5.658 1.00 11.25 H new ATOM 0 HZ1 LYS B 46 12.498 2.157 7.685 1.00 23.12 H new ATOM 0 HZ2 LYS B 46 10.828 2.218 7.985 1.00 23.12 H new ATOM 0 HZ3 LYS B 46 11.613 0.718 7.857 1.00 23.12 H new ATOM 1710 N LYS B 47 5.881 -1.105 4.814 1.00 52.42 N ATOM 1711 CA LYS B 47 5.500 -2.425 5.299 1.00 30.34 C ATOM 1712 C LYS B 47 5.553 -3.454 4.175 1.00 40.23 C ATOM 1713 O LYS B 47 5.941 -4.603 4.389 1.00 55.54 O ATOM 1714 CB LYS B 47 4.093 -2.384 5.901 1.00 53.21 C ATOM 1715 CG LYS B 47 4.082 -2.245 7.413 1.00 11.23 C ATOM 1716 CD LYS B 47 3.062 -3.174 8.051 1.00 43.41 C ATOM 1717 CE LYS B 47 3.083 -3.067 9.568 1.00 42.42 C ATOM 1718 NZ LYS B 47 4.055 -4.017 10.177 1.00 62.02 N ATOM 0 H LYS B 47 5.169 -0.386 4.945 1.00 52.42 H new ATOM 0 HA LYS B 47 6.211 -2.719 6.071 1.00 30.34 H new ATOM 0 HB2 LYS B 47 3.544 -1.550 5.464 1.00 53.21 H new ATOM 0 HB3 LYS B 47 3.562 -3.295 5.624 1.00 53.21 H new ATOM 0 HG2 LYS B 47 5.074 -2.467 7.807 1.00 11.23 H new ATOM 0 HG3 LYS B 47 3.855 -1.214 7.683 1.00 11.23 H new ATOM 0 HD2 LYS B 47 2.066 -2.931 7.682 1.00 43.41 H new ATOM 0 HD3 LYS B 47 3.269 -4.202 7.755 1.00 43.41 H new ATOM 0 HE2 LYS B 47 3.341 -2.048 9.857 1.00 42.42 H new ATOM 0 HE3 LYS B 47 2.086 -3.266 9.960 1.00 42.42 H new ATOM 0 HZ1 LYS B 47 4.040 -3.914 11.212 1.00 62.02 H new ATOM 0 HZ2 LYS B 47 3.794 -4.991 9.923 1.00 62.02 H new ATOM 0 HZ3 LYS B 47 5.011 -3.811 9.823 1.00 62.02 H new ATOM 1732 N ALA B 48 5.161 -3.035 2.976 1.00 50.32 N ATOM 1733 CA ALA B 48 5.168 -3.919 1.817 1.00 14.03 C ATOM 1734 C ALA B 48 6.557 -4.503 1.580 1.00 14.22 C ATOM 1735 O ALA B 48 6.692 -5.643 1.139 1.00 3.33 O ATOM 1736 CB ALA B 48 4.689 -3.172 0.581 1.00 3.21 C ATOM 0 H ALA B 48 4.834 -2.088 2.782 1.00 50.32 H new ATOM 0 HA ALA B 48 4.485 -4.745 2.016 1.00 14.03 H new ATOM 0 HB1 ALA B 48 4.699 -3.844 -0.277 1.00 3.21 H new ATOM 0 HB2 ALA B 48 3.674 -2.809 0.746 1.00 3.21 H new ATOM 0 HB3 ALA B 48 5.350 -2.327 0.388 1.00 3.21 H new ATOM 1742 N GLU B 49 7.584 -3.712 1.876 1.00 25.11 N ATOM 1743 CA GLU B 49 8.962 -4.153 1.693 1.00 5.41 C ATOM 1744 C GLU B 49 9.378 -5.113 2.803 1.00 4.41 C ATOM 1745 O GLU B 49 10.194 -6.009 2.588 1.00 2.50 O ATOM 1746 CB GLU B 49 9.905 -2.948 1.665 1.00 44.23 C ATOM 1747 CG GLU B 49 11.197 -3.205 0.906 1.00 11.32 C ATOM 1748 CD GLU B 49 11.973 -1.931 0.628 1.00 71.21 C ATOM 1749 OE1 GLU B 49 11.991 -1.491 -0.541 1.00 25.04 O ATOM 1750 OE2 GLU B 49 12.561 -1.376 1.579 1.00 54.11 O ATOM 0 H GLU B 49 7.488 -2.765 2.243 1.00 25.11 H new ATOM 0 HA GLU B 49 9.026 -4.678 0.740 1.00 5.41 H new ATOM 0 HB2 GLU B 49 9.388 -2.103 1.210 1.00 44.23 H new ATOM 0 HB3 GLU B 49 10.145 -2.661 2.689 1.00 44.23 H new ATOM 0 HG2 GLU B 49 11.822 -3.889 1.481 1.00 11.32 H new ATOM 0 HG3 GLU B 49 10.968 -3.700 -0.038 1.00 11.32 H new ATOM 1758 N GLU B 50 8.812 -4.918 3.990 1.00 61.14 N ATOM 1759 CA GLU B 50 9.125 -5.766 5.133 1.00 25.34 C ATOM 1760 C GLU B 50 8.648 -7.197 4.898 1.00 44.34 C ATOM 1761 O GLU B 50 9.382 -8.156 5.140 1.00 33.44 O ATOM 1762 CB GLU B 50 8.483 -5.206 6.404 1.00 52.34 C ATOM 1763 CG GLU B 50 9.268 -4.065 7.031 1.00 71.03 C ATOM 1764 CD GLU B 50 9.877 -4.442 8.367 1.00 1.03 C ATOM 1765 OE1 GLU B 50 10.639 -5.430 8.414 1.00 23.30 O ATOM 1766 OE2 GLU B 50 9.593 -3.748 9.366 1.00 73.33 O ATOM 0 H GLU B 50 8.135 -4.180 4.184 1.00 61.14 H new ATOM 0 HA GLU B 50 10.208 -5.778 5.256 1.00 25.34 H new ATOM 0 HB2 GLU B 50 7.477 -4.858 6.170 1.00 52.34 H new ATOM 0 HB3 GLU B 50 8.381 -6.009 7.134 1.00 52.34 H new ATOM 0 HG2 GLU B 50 10.060 -3.756 6.349 1.00 71.03 H new ATOM 0 HG3 GLU B 50 8.610 -3.207 7.165 1.00 71.03 H new ATOM 1774 N LEU B 51 7.414 -7.331 4.424 1.00 24.35 N ATOM 1775 CA LEU B 51 6.837 -8.644 4.155 1.00 11.43 C ATOM 1776 C LEU B 51 7.457 -9.266 2.908 1.00 53.11 C ATOM 1777 O LEU B 51 7.554 -10.488 2.795 1.00 40.12 O ATOM 1778 CB LEU B 51 5.321 -8.531 3.985 1.00 44.04 C ATOM 1779 CG LEU B 51 4.839 -7.620 2.855 1.00 2.32 C ATOM 1780 CD1 LEU B 51 4.818 -8.372 1.534 1.00 2.12 C ATOM 1781 CD2 LEU B 51 3.462 -7.059 3.174 1.00 35.13 C ATOM 0 H LEU B 51 6.794 -6.547 4.218 1.00 24.35 H new ATOM 0 HA LEU B 51 7.053 -9.291 5.006 1.00 11.43 H new ATOM 0 HB2 LEU B 51 4.919 -9.530 3.816 1.00 44.04 H new ATOM 0 HB3 LEU B 51 4.896 -8.170 4.922 1.00 44.04 H new ATOM 0 HG LEU B 51 5.536 -6.787 2.763 1.00 2.32 H new ATOM 0 HD11 LEU B 51 4.472 -7.707 0.742 1.00 2.12 H new ATOM 0 HD12 LEU B 51 5.823 -8.724 1.300 1.00 2.12 H new ATOM 0 HD13 LEU B 51 4.144 -9.225 1.612 1.00 2.12 H new ATOM 0 HD21 LEU B 51 3.135 -6.413 2.359 1.00 35.13 H new ATOM 0 HD22 LEU B 51 2.754 -7.879 3.294 1.00 35.13 H new ATOM 0 HD23 LEU B 51 3.509 -6.482 4.098 1.00 35.13 H new ATOM 1793 N PHE B 52 7.875 -8.418 1.975 1.00 14.25 N ATOM 1794 CA PHE B 52 8.486 -8.883 0.736 1.00 21.43 C ATOM 1795 C PHE B 52 9.814 -9.582 1.014 1.00 52.33 C ATOM 1796 O PHE B 52 10.273 -10.406 0.223 1.00 64.15 O ATOM 1797 CB PHE B 52 8.704 -7.711 -0.223 1.00 32.12 C ATOM 1798 CG PHE B 52 9.361 -8.107 -1.514 1.00 63.31 C ATOM 1799 CD1 PHE B 52 8.616 -8.655 -2.546 1.00 40.31 C ATOM 1800 CD2 PHE B 52 10.723 -7.930 -1.696 1.00 0.02 C ATOM 1801 CE1 PHE B 52 9.219 -9.021 -3.735 1.00 33.23 C ATOM 1802 CE2 PHE B 52 11.331 -8.293 -2.884 1.00 31.44 C ATOM 1803 CZ PHE B 52 10.578 -8.838 -3.904 1.00 64.31 C ATOM 0 H PHE B 52 7.802 -7.404 2.054 1.00 14.25 H new ATOM 0 HA PHE B 52 7.808 -9.600 0.273 1.00 21.43 H new ATOM 0 HB2 PHE B 52 7.742 -7.247 -0.441 1.00 32.12 H new ATOM 0 HB3 PHE B 52 9.317 -6.957 0.271 1.00 32.12 H new ATOM 0 HD1 PHE B 52 7.553 -8.798 -2.420 1.00 40.31 H new ATOM 0 HD2 PHE B 52 11.317 -7.504 -0.901 1.00 0.02 H new ATOM 0 HE1 PHE B 52 8.628 -9.450 -4.531 1.00 33.23 H new ATOM 0 HE2 PHE B 52 12.394 -8.150 -3.013 1.00 31.44 H new ATOM 0 HZ PHE B 52 11.050 -9.121 -4.833 1.00 64.31 H new ATOM 1813 N LYS B 53 10.427 -9.246 2.144 1.00 43.35 N ATOM 1814 CA LYS B 53 11.701 -9.840 2.529 1.00 4.41 C ATOM 1815 C LYS B 53 11.632 -11.363 2.471 1.00 4.41 C ATOM 1816 O LYS B 53 12.395 -12.002 1.746 1.00 61.05 O ATOM 1817 CB LYS B 53 12.093 -9.389 3.938 1.00 1.14 C ATOM 1818 CG LYS B 53 13.537 -8.931 4.052 1.00 52.23 C ATOM 1819 CD LYS B 53 13.696 -7.481 3.625 1.00 11.13 C ATOM 1820 CE LYS B 53 13.550 -6.534 4.806 1.00 74.13 C ATOM 1821 NZ LYS B 53 13.254 -5.141 4.367 1.00 61.13 N ATOM 0 H LYS B 53 10.061 -8.565 2.809 1.00 43.35 H new ATOM 0 HA LYS B 53 12.459 -9.502 1.822 1.00 4.41 H new ATOM 0 HB2 LYS B 53 11.437 -8.574 4.245 1.00 1.14 H new ATOM 0 HB3 LYS B 53 11.926 -10.212 4.633 1.00 1.14 H new ATOM 0 HG2 LYS B 53 13.877 -9.048 5.081 1.00 52.23 H new ATOM 0 HG3 LYS B 53 14.171 -9.566 3.433 1.00 52.23 H new ATOM 0 HD2 LYS B 53 14.674 -7.341 3.164 1.00 11.13 H new ATOM 0 HD3 LYS B 53 12.949 -7.239 2.869 1.00 11.13 H new ATOM 0 HE2 LYS B 53 12.751 -6.887 5.458 1.00 74.13 H new ATOM 0 HE3 LYS B 53 14.468 -6.542 5.394 1.00 74.13 H new ATOM 0 HZ1 LYS B 53 13.162 -4.526 5.201 1.00 61.13 H new ATOM 0 HZ2 LYS B 53 14.028 -4.795 3.766 1.00 61.13 H new ATOM 0 HZ3 LYS B 53 12.365 -5.129 3.828 1.00 61.13 H new ATOM 1835 N LEU B 54 10.713 -11.937 3.238 1.00 4.11 N ATOM 1836 CA LEU B 54 10.543 -13.387 3.273 1.00 52.52 C ATOM 1837 C LEU B 54 9.841 -13.882 2.014 1.00 73.23 C ATOM 1838 O LEU B 54 9.988 -15.040 1.624 1.00 10.22 O ATOM 1839 CB LEU B 54 9.743 -13.795 4.512 1.00 24.00 C ATOM 1840 CG LEU B 54 10.304 -13.332 5.856 1.00 3.41 C ATOM 1841 CD1 LEU B 54 9.431 -13.828 6.998 1.00 5.43 C ATOM 1842 CD2 LEU B 54 11.737 -13.814 6.030 1.00 4.31 C ATOM 0 H LEU B 54 10.074 -11.422 3.844 1.00 4.11 H new ATOM 0 HA LEU B 54 11.531 -13.845 3.319 1.00 52.52 H new ATOM 0 HB2 LEU B 54 8.730 -13.405 4.410 1.00 24.00 H new ATOM 0 HB3 LEU B 54 9.666 -14.882 4.528 1.00 24.00 H new ATOM 0 HG LEU B 54 10.304 -12.242 5.872 1.00 3.41 H new ATOM 0 HD11 LEU B 54 9.846 -13.489 7.947 1.00 5.43 H new ATOM 0 HD12 LEU B 54 8.421 -13.434 6.882 1.00 5.43 H new ATOM 0 HD13 LEU B 54 9.399 -14.917 6.985 1.00 5.43 H new ATOM 0 HD21 LEU B 54 12.121 -13.475 6.992 1.00 4.31 H new ATOM 0 HD22 LEU B 54 11.762 -14.903 5.993 1.00 4.31 H new ATOM 0 HD23 LEU B 54 12.357 -13.409 5.230 1.00 4.31 H new ATOM 1854 N ALA B 55 9.078 -12.998 1.379 1.00 11.23 N ATOM 1855 CA ALA B 55 8.357 -13.344 0.162 1.00 44.32 C ATOM 1856 C ALA B 55 9.313 -13.829 -0.924 1.00 13.31 C ATOM 1857 O ALA B 55 8.921 -14.571 -1.822 1.00 52.24 O ATOM 1858 CB ALA B 55 7.554 -12.151 -0.335 1.00 12.31 C ATOM 0 H ALA B 55 8.944 -12.035 1.689 1.00 11.23 H new ATOM 0 HA ALA B 55 7.671 -14.158 0.396 1.00 44.32 H new ATOM 0 HB1 ALA B 55 7.021 -12.425 -1.245 1.00 12.31 H new ATOM 0 HB2 ALA B 55 6.837 -11.851 0.429 1.00 12.31 H new ATOM 0 HB3 ALA B 55 8.228 -11.321 -0.546 1.00 12.31 H new ATOM 1864 N GLU B 56 10.569 -13.401 -0.833 1.00 30.41 N ATOM 1865 CA GLU B 56 11.580 -13.792 -1.809 1.00 51.22 C ATOM 1866 C GLU B 56 12.038 -15.228 -1.573 1.00 44.43 C ATOM 1867 O GLU B 56 12.485 -15.906 -2.497 1.00 4.35 O ATOM 1868 CB GLU B 56 12.778 -12.843 -1.741 1.00 4.34 C ATOM 1869 CG GLU B 56 12.397 -11.396 -1.482 1.00 74.44 C ATOM 1870 CD GLU B 56 13.421 -10.416 -2.021 1.00 2.24 C ATOM 1871 OE1 GLU B 56 13.779 -9.471 -1.288 1.00 5.23 O ATOM 1872 OE2 GLU B 56 13.863 -10.595 -3.175 1.00 5.42 O ATOM 0 H GLU B 56 10.910 -12.785 -0.095 1.00 30.41 H new ATOM 0 HA GLU B 56 11.134 -13.732 -2.802 1.00 51.22 H new ATOM 0 HB2 GLU B 56 13.452 -13.179 -0.953 1.00 4.34 H new ATOM 0 HB3 GLU B 56 13.330 -12.902 -2.679 1.00 4.34 H new ATOM 0 HG2 GLU B 56 11.429 -11.192 -1.939 1.00 74.44 H new ATOM 0 HG3 GLU B 56 12.282 -11.241 -0.409 1.00 74.44 H new ATOM 1880 N GLU B 57 11.925 -15.682 -0.329 1.00 21.43 N ATOM 1881 CA GLU B 57 12.329 -17.036 0.028 1.00 30.41 C ATOM 1882 C GLU B 57 11.450 -18.069 -0.670 1.00 63.45 C ATOM 1883 O GLU B 57 11.951 -19.012 -1.285 1.00 75.22 O ATOM 1884 CB GLU B 57 12.256 -17.231 1.544 1.00 74.40 C ATOM 1885 CG GLU B 57 13.192 -16.320 2.321 1.00 70.43 C ATOM 1886 CD GLU B 57 14.600 -16.875 2.415 1.00 13.12 C ATOM 1887 OE1 GLU B 57 15.551 -16.135 2.086 1.00 54.44 O ATOM 1888 OE2 GLU B 57 14.752 -18.047 2.817 1.00 53.02 O ATOM 0 H GLU B 57 11.557 -15.132 0.448 1.00 21.43 H new ATOM 0 HA GLU B 57 13.358 -17.178 -0.301 1.00 30.41 H new ATOM 0 HB2 GLU B 57 11.233 -17.055 1.876 1.00 74.40 H new ATOM 0 HB3 GLU B 57 12.493 -18.268 1.780 1.00 74.40 H new ATOM 0 HG2 GLU B 57 13.222 -15.342 1.841 1.00 70.43 H new ATOM 0 HG3 GLU B 57 12.796 -16.170 3.326 1.00 70.43 H new ATOM 1896 N ARG B 58 10.138 -17.885 -0.573 1.00 31.44 N ATOM 1897 CA ARG B 58 9.188 -18.801 -1.193 1.00 45.03 C ATOM 1898 C ARG B 58 9.064 -18.524 -2.689 1.00 53.22 C ATOM 1899 O ARG B 58 8.584 -19.365 -3.449 1.00 40.33 O ATOM 1900 CB ARG B 58 7.818 -18.679 -0.526 1.00 12.24 C ATOM 1901 CG ARG B 58 7.380 -17.243 -0.292 1.00 51.12 C ATOM 1902 CD ARG B 58 7.310 -16.916 1.191 1.00 12.32 C ATOM 1903 NE ARG B 58 8.473 -17.417 1.917 1.00 20.44 N ATOM 1904 CZ ARG B 58 8.698 -17.173 3.203 1.00 1.13 C ATOM 1905 NH1 ARG B 58 7.844 -16.437 3.901 1.00 12.53 N ATOM 1906 NH2 ARG B 58 9.780 -17.665 3.795 1.00 44.54 N ATOM 0 H ARG B 58 9.708 -17.109 -0.070 1.00 31.44 H new ATOM 0 HA ARG B 58 9.560 -19.817 -1.058 1.00 45.03 H new ATOM 0 HB2 ARG B 58 7.075 -19.180 -1.147 1.00 12.24 H new ATOM 0 HB3 ARG B 58 7.841 -19.203 0.429 1.00 12.24 H new ATOM 0 HG2 ARG B 58 8.078 -16.564 -0.783 1.00 51.12 H new ATOM 0 HG3 ARG B 58 6.403 -17.081 -0.748 1.00 51.12 H new ATOM 0 HD2 ARG B 58 7.239 -15.836 1.321 1.00 12.32 H new ATOM 0 HD3 ARG B 58 6.404 -17.348 1.615 1.00 12.32 H new ATOM 0 HE ARG B 58 9.150 -17.986 1.409 1.00 20.44 H new ATOM 0 HH11 ARG B 58 7.012 -16.057 3.450 1.00 12.53 H new ATOM 0 HH12 ARG B 58 8.019 -16.251 4.888 1.00 12.53 H new ATOM 0 HH21 ARG B 58 10.440 -18.231 3.262 1.00 44.54 H new ATOM 0 HH22 ARG B 58 9.951 -17.477 4.783 1.00 44.54 H new ATOM 1920 N LEU B 59 9.500 -17.339 -3.104 1.00 74.51 N ATOM 1921 CA LEU B 59 9.437 -16.950 -4.508 1.00 71.01 C ATOM 1922 C LEU B 59 10.694 -17.388 -5.252 1.00 12.55 C ATOM 1923 O LEU B 59 10.673 -18.353 -6.016 1.00 72.31 O ATOM 1924 CB LEU B 59 9.260 -15.435 -4.630 1.00 3.12 C ATOM 1925 CG LEU B 59 7.833 -14.911 -4.466 1.00 41.52 C ATOM 1926 CD1 LEU B 59 7.806 -13.394 -4.578 1.00 71.03 C ATOM 1927 CD2 LEU B 59 6.912 -15.540 -5.502 1.00 13.14 C ATOM 0 H LEU B 59 9.901 -16.632 -2.488 1.00 74.51 H new ATOM 0 HA LEU B 59 8.579 -17.448 -4.959 1.00 71.01 H new ATOM 0 HB2 LEU B 59 9.890 -14.954 -3.882 1.00 3.12 H new ATOM 0 HB3 LEU B 59 9.630 -15.124 -5.607 1.00 3.12 H new ATOM 0 HG LEU B 59 7.476 -15.189 -3.474 1.00 41.52 H new ATOM 0 HD11 LEU B 59 6.783 -13.039 -4.459 1.00 71.03 H new ATOM 0 HD12 LEU B 59 8.434 -12.960 -3.799 1.00 71.03 H new ATOM 0 HD13 LEU B 59 8.182 -13.095 -5.556 1.00 71.03 H new ATOM 0 HD21 LEU B 59 5.900 -15.156 -5.371 1.00 13.14 H new ATOM 0 HD22 LEU B 59 7.267 -15.293 -6.502 1.00 13.14 H new ATOM 0 HD23 LEU B 59 6.908 -16.623 -5.376 1.00 13.14 H new ATOM 1939 N LYS B 60 11.791 -16.673 -5.021 1.00 10.04 N ATOM 1940 CA LYS B 60 13.060 -16.989 -5.665 1.00 64.15 C ATOM 1941 C LYS B 60 14.020 -17.651 -4.681 1.00 52.12 C ATOM 1942 O LYS B 60 13.658 -17.931 -3.538 1.00 50.34 O ATOM 1943 CB LYS B 60 13.696 -15.720 -6.238 1.00 74.21 C ATOM 1944 CG LYS B 60 13.659 -14.539 -5.283 1.00 44.43 C ATOM 1945 CD LYS B 60 12.657 -13.489 -5.734 1.00 21.04 C ATOM 1946 CE LYS B 60 13.092 -12.822 -7.029 1.00 14.43 C ATOM 1947 NZ LYS B 60 12.236 -11.649 -7.363 1.00 23.15 N ATOM 0 H LYS B 60 11.826 -15.871 -4.392 1.00 10.04 H new ATOM 0 HA LYS B 60 12.861 -17.687 -6.478 1.00 64.15 H new ATOM 0 HB2 LYS B 60 14.732 -15.930 -6.503 1.00 74.21 H new ATOM 0 HB3 LYS B 60 13.180 -15.449 -7.159 1.00 74.21 H new ATOM 0 HG2 LYS B 60 13.398 -14.886 -4.283 1.00 44.43 H new ATOM 0 HG3 LYS B 60 14.651 -14.092 -5.217 1.00 44.43 H new ATOM 0 HD2 LYS B 60 11.680 -13.953 -5.873 1.00 21.04 H new ATOM 0 HD3 LYS B 60 12.544 -12.735 -4.955 1.00 21.04 H new ATOM 0 HE2 LYS B 60 14.130 -12.501 -6.942 1.00 14.43 H new ATOM 0 HE3 LYS B 60 13.050 -13.546 -7.843 1.00 14.43 H new ATOM 0 HZ1 LYS B 60 12.564 -11.222 -8.252 1.00 23.15 H new ATOM 0 HZ2 LYS B 60 11.249 -11.959 -7.472 1.00 23.15 H new ATOM 0 HZ3 LYS B 60 12.296 -10.947 -6.598 1.00 23.15 H new ATOM 1961 N LYS B 61 15.245 -17.899 -5.132 1.00 51.24 N ATOM 1962 CA LYS B 61 16.259 -18.525 -4.292 1.00 70.11 C ATOM 1963 C LYS B 61 17.062 -17.473 -3.534 1.00 3.21 C ATOM 1964 O LYS B 61 17.525 -17.715 -2.418 1.00 71.11 O ATOM 1965 CB LYS B 61 17.197 -19.383 -5.142 1.00 62.31 C ATOM 1966 CG LYS B 61 18.063 -18.577 -6.096 1.00 71.51 C ATOM 1967 CD LYS B 61 18.901 -19.480 -6.986 1.00 35.33 C ATOM 1968 CE LYS B 61 20.373 -19.099 -6.936 1.00 52.34 C ATOM 1969 NZ LYS B 61 21.259 -20.285 -7.094 1.00 72.24 N ATOM 0 H LYS B 61 15.560 -17.676 -6.076 1.00 51.24 H new ATOM 0 HA LYS B 61 15.752 -19.162 -3.567 1.00 70.11 H new ATOM 0 HB2 LYS B 61 17.842 -19.964 -4.482 1.00 62.31 H new ATOM 0 HB3 LYS B 61 16.604 -20.095 -5.716 1.00 62.31 H new ATOM 0 HG2 LYS B 61 17.430 -17.941 -6.715 1.00 71.51 H new ATOM 0 HG3 LYS B 61 18.717 -17.917 -5.526 1.00 71.51 H new ATOM 0 HD2 LYS B 61 18.781 -20.517 -6.671 1.00 35.33 H new ATOM 0 HD3 LYS B 61 18.542 -19.416 -8.013 1.00 35.33 H new ATOM 0 HE2 LYS B 61 20.588 -18.377 -7.724 1.00 52.34 H new ATOM 0 HE3 LYS B 61 20.589 -18.608 -5.987 1.00 52.34 H new ATOM 0 HZ1 LYS B 61 22.253 -19.983 -7.054 1.00 72.24 H new ATOM 0 HZ2 LYS B 61 21.072 -20.963 -6.328 1.00 72.24 H new ATOM 0 HZ3 LYS B 61 21.071 -20.739 -8.011 1.00 72.24 H new ATOM 1983 N LEU B 62 17.225 -16.305 -4.145 1.00 55.32 N ATOM 1984 CA LEU B 62 17.971 -15.214 -3.526 1.00 64.42 C ATOM 1985 C LEU B 62 19.428 -15.609 -3.307 1.00 12.40 C ATOM 1986 O LEU B 62 20.317 -14.795 -3.553 1.00 54.05 O ATOM 1987 CB LEU B 62 17.331 -14.823 -2.194 1.00 13.33 C ATOM 1988 CG LEU B 62 16.837 -13.379 -2.085 1.00 25.31 C ATOM 1989 CD1 LEU B 62 16.186 -13.139 -0.732 1.00 44.24 C ATOM 1990 CD2 LEU B 62 17.986 -12.406 -2.307 1.00 13.32 C ATOM 0 H LEU B 62 16.851 -16.089 -5.069 1.00 55.32 H new ATOM 0 HA LEU B 62 17.942 -14.358 -4.200 1.00 64.42 H new ATOM 0 HB2 LEU B 62 16.488 -15.489 -2.009 1.00 13.33 H new ATOM 0 HB3 LEU B 62 18.056 -14.999 -1.400 1.00 13.33 H new ATOM 0 HG LEU B 62 16.089 -13.210 -2.860 1.00 25.31 H new ATOM 0 HD11 LEU B 62 15.841 -12.107 -0.672 1.00 44.24 H new ATOM 0 HD12 LEU B 62 15.338 -13.813 -0.612 1.00 44.24 H new ATOM 0 HD13 LEU B 62 16.912 -13.325 0.059 1.00 44.24 H new ATOM 0 HD21 LEU B 62 17.618 -11.383 -2.226 1.00 13.32 H new ATOM 0 HD22 LEU B 62 18.756 -12.575 -1.554 1.00 13.32 H new ATOM 0 HD23 LEU B 62 18.408 -12.562 -3.300 1.00 13.32 H new