USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 831 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 160:sc= -0.109 (180deg=-0.6) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -0.153 (180deg=-0.725) USER MOD Single : A 41 CYS SG : rot -109:sc= -0.362 USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0481) 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 : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 151:sc= -0.112 (180deg=-0.61) 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 153:sc= -0.0408 (180deg=-1.15) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot 47:sc= 0.117 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 ----------------------------------------------------------------- ATOM 62 N LEU A 4 -11.305 6.314 -1.959 1.00 63.32 N ATOM 63 CA LEU A 4 -11.867 7.317 -1.062 1.00 54.34 C ATOM 64 C LEU A 4 -11.065 7.401 0.232 1.00 71.30 C ATOM 65 O LEU A 4 -10.947 8.470 0.832 1.00 54.21 O ATOM 66 CB LEU A 4 -13.328 6.986 -0.748 1.00 24.13 C ATOM 67 CG LEU A 4 -13.581 5.641 -0.069 1.00 32.02 C ATOM 68 CD1 LEU A 4 -14.220 5.844 1.296 1.00 75.12 C ATOM 69 CD2 LEU A 4 -14.459 4.758 -0.944 1.00 53.34 C ATOM 0 HA LEU A 4 -11.818 8.284 -1.562 1.00 54.34 H new ATOM 0 HB2 LEU A 4 -13.729 7.773 -0.110 1.00 24.13 H new ATOM 0 HB3 LEU A 4 -13.894 7.012 -1.679 1.00 24.13 H new ATOM 0 HG LEU A 4 -12.623 5.141 0.071 1.00 32.02 H new ATOM 0 HD11 LEU A 4 -14.393 4.875 1.765 1.00 75.12 H new ATOM 0 HD12 LEU A 4 -13.556 6.438 1.924 1.00 75.12 H new ATOM 0 HD13 LEU A 4 -15.170 6.365 1.179 1.00 75.12 H new ATOM 0 HD21 LEU A 4 -14.629 3.804 -0.444 1.00 53.34 H new ATOM 0 HD22 LEU A 4 -15.415 5.252 -1.116 1.00 53.34 H new ATOM 0 HD23 LEU A 4 -13.963 4.584 -1.899 1.00 53.34 H new ATOM 81 N ARG A 5 -10.513 6.268 0.655 1.00 13.41 N ATOM 82 CA ARG A 5 -9.720 6.215 1.877 1.00 14.02 C ATOM 83 C ARG A 5 -8.474 7.088 1.756 1.00 35.32 C ATOM 84 O ARG A 5 -8.256 7.991 2.561 1.00 54.54 O ATOM 85 CB ARG A 5 -9.317 4.772 2.187 1.00 72.12 C ATOM 86 CG ARG A 5 -9.944 4.224 3.458 1.00 13.33 C ATOM 87 CD ARG A 5 -11.006 3.180 3.151 1.00 44.15 C ATOM 88 NE ARG A 5 -12.182 3.328 4.005 1.00 45.34 N ATOM 89 CZ ARG A 5 -13.190 2.462 4.023 1.00 14.43 C ATOM 90 NH1 ARG A 5 -13.164 1.393 3.241 1.00 43.23 N ATOM 91 NH2 ARG A 5 -14.225 2.666 4.827 1.00 52.41 N ATOM 0 H ARG A 5 -10.600 5.375 0.170 1.00 13.41 H new ATOM 0 HA ARG A 5 -10.332 6.597 2.694 1.00 14.02 H new ATOM 0 HB2 ARG A 5 -9.601 4.136 1.348 1.00 72.12 H new ATOM 0 HB3 ARG A 5 -8.232 4.718 2.275 1.00 72.12 H new ATOM 0 HG2 ARG A 5 -9.170 3.783 4.086 1.00 13.33 H new ATOM 0 HG3 ARG A 5 -10.389 5.041 4.027 1.00 13.33 H new ATOM 0 HD2 ARG A 5 -11.304 3.263 2.106 1.00 44.15 H new ATOM 0 HD3 ARG A 5 -10.584 2.184 3.284 1.00 44.15 H new ATOM 0 HE ARG A 5 -12.232 4.140 4.621 1.00 45.34 H new ATOM 0 HH11 ARG A 5 -12.369 1.233 2.623 1.00 43.23 H new ATOM 0 HH12 ARG A 5 -13.939 0.730 3.257 1.00 43.23 H new ATOM 0 HH21 ARG A 5 -14.247 3.487 5.431 1.00 52.41 H new ATOM 0 HH22 ARG A 5 -14.999 2.001 4.841 1.00 52.41 H new ATOM 105 N GLU A 6 -7.659 6.809 0.743 1.00 62.44 N ATOM 106 CA GLU A 6 -6.435 7.567 0.518 1.00 23.43 C ATOM 107 C GLU A 6 -6.740 9.050 0.332 1.00 2.14 C ATOM 108 O GLU A 6 -6.011 9.910 0.824 1.00 5.15 O ATOM 109 CB GLU A 6 -5.694 7.030 -0.709 1.00 15.13 C ATOM 110 CG GLU A 6 -4.284 6.552 -0.408 1.00 33.21 C ATOM 111 CD GLU A 6 -3.297 6.920 -1.499 1.00 30.32 C ATOM 112 OE1 GLU A 6 -2.489 6.049 -1.885 1.00 1.43 O ATOM 113 OE2 GLU A 6 -3.333 8.077 -1.966 1.00 23.02 O ATOM 0 H GLU A 6 -7.825 6.064 0.066 1.00 62.44 H new ATOM 0 HA GLU A 6 -5.800 7.451 1.396 1.00 23.43 H new ATOM 0 HB2 GLU A 6 -6.265 6.205 -1.135 1.00 15.13 H new ATOM 0 HB3 GLU A 6 -5.649 7.812 -1.467 1.00 15.13 H new ATOM 0 HG2 GLU A 6 -3.952 6.983 0.537 1.00 33.21 H new ATOM 0 HG3 GLU A 6 -4.291 5.470 -0.280 1.00 33.21 H new ATOM 120 N GLU A 7 -7.823 9.341 -0.383 1.00 55.23 N ATOM 121 CA GLU A 7 -8.224 10.720 -0.634 1.00 23.32 C ATOM 122 C GLU A 7 -8.572 11.432 0.670 1.00 2.14 C ATOM 123 O GLU A 7 -8.214 12.593 0.870 1.00 73.21 O ATOM 124 CB GLU A 7 -9.421 10.761 -1.586 1.00 13.12 C ATOM 125 CG GLU A 7 -9.755 12.157 -2.086 1.00 34.20 C ATOM 126 CD GLU A 7 -9.247 12.410 -3.491 1.00 4.13 C ATOM 127 OE1 GLU A 7 -8.707 13.509 -3.737 1.00 15.52 O ATOM 128 OE2 GLU A 7 -9.388 11.511 -4.345 1.00 65.45 O ATOM 0 H GLU A 7 -8.437 8.641 -0.798 1.00 55.23 H new ATOM 0 HA GLU A 7 -7.383 11.237 -1.096 1.00 23.32 H new ATOM 0 HB2 GLU A 7 -9.216 10.117 -2.441 1.00 13.12 H new ATOM 0 HB3 GLU A 7 -10.293 10.348 -1.078 1.00 13.12 H new ATOM 0 HG2 GLU A 7 -10.836 12.298 -2.063 1.00 34.20 H new ATOM 0 HG3 GLU A 7 -9.323 12.894 -1.409 1.00 34.20 H new ATOM 135 N ALA A 8 -9.273 10.729 1.553 1.00 44.04 N ATOM 136 CA ALA A 8 -9.669 11.292 2.837 1.00 53.25 C ATOM 137 C ALA A 8 -8.461 11.493 3.744 1.00 13.23 C ATOM 138 O ALA A 8 -8.246 12.583 4.275 1.00 51.04 O ATOM 139 CB ALA A 8 -10.695 10.394 3.513 1.00 10.21 C ATOM 0 H ALA A 8 -9.578 9.768 1.402 1.00 44.04 H new ATOM 0 HA ALA A 8 -10.120 12.267 2.654 1.00 53.25 H new ATOM 0 HB1 ALA A 8 -10.982 10.827 4.471 1.00 10.21 H new ATOM 0 HB2 ALA A 8 -11.576 10.305 2.877 1.00 10.21 H new ATOM 0 HB3 ALA A 8 -10.263 9.406 3.676 1.00 10.21 H new ATOM 145 N ALA A 9 -7.674 10.436 3.917 1.00 71.00 N ATOM 146 CA ALA A 9 -6.486 10.498 4.759 1.00 12.54 C ATOM 147 C ALA A 9 -5.552 11.618 4.310 1.00 52.24 C ATOM 148 O ALA A 9 -4.888 12.254 5.130 1.00 65.45 O ATOM 149 CB ALA A 9 -5.757 9.162 4.744 1.00 5.23 C ATOM 0 H ALA A 9 -7.838 9.527 3.485 1.00 71.00 H new ATOM 0 HA ALA A 9 -6.805 10.713 5.779 1.00 12.54 H new ATOM 0 HB1 ALA A 9 -4.872 9.223 5.377 1.00 5.23 H new ATOM 0 HB2 ALA A 9 -6.419 8.382 5.120 1.00 5.23 H new ATOM 0 HB3 ALA A 9 -5.457 8.922 3.724 1.00 5.23 H new ATOM 155 N LYS A 10 -5.505 11.853 3.004 1.00 2.31 N ATOM 156 CA LYS A 10 -4.654 12.896 2.444 1.00 14.43 C ATOM 157 C LYS A 10 -5.265 14.277 2.668 1.00 72.31 C ATOM 158 O LYS A 10 -4.548 15.259 2.864 1.00 23.01 O ATOM 159 CB LYS A 10 -4.438 12.660 0.948 1.00 71.20 C ATOM 160 CG LYS A 10 -3.613 13.743 0.273 1.00 64.15 C ATOM 161 CD LYS A 10 -4.486 14.678 -0.546 1.00 1.45 C ATOM 162 CE LYS A 10 -4.367 14.393 -2.035 1.00 70.34 C ATOM 163 NZ LYS A 10 -5.698 14.357 -2.701 1.00 63.31 N ATOM 0 H LYS A 10 -6.047 11.335 2.312 1.00 2.31 H new ATOM 0 HA LYS A 10 -3.692 12.856 2.954 1.00 14.43 H new ATOM 0 HB2 LYS A 10 -3.944 11.699 0.808 1.00 71.20 H new ATOM 0 HB3 LYS A 10 -5.408 12.594 0.455 1.00 71.20 H new ATOM 0 HG2 LYS A 10 -3.074 14.315 1.028 1.00 64.15 H new ATOM 0 HG3 LYS A 10 -2.865 13.283 -0.373 1.00 64.15 H new ATOM 0 HD2 LYS A 10 -5.526 14.571 -0.236 1.00 1.45 H new ATOM 0 HD3 LYS A 10 -4.199 15.711 -0.348 1.00 1.45 H new ATOM 0 HE2 LYS A 10 -3.747 15.158 -2.503 1.00 70.34 H new ATOM 0 HE3 LYS A 10 -3.861 13.439 -2.183 1.00 70.34 H new ATOM 0 HZ1 LYS A 10 -5.574 14.160 -3.715 1.00 63.31 H new ATOM 0 HZ2 LYS A 10 -6.281 13.610 -2.272 1.00 63.31 H new ATOM 0 HZ3 LYS A 10 -6.171 15.276 -2.582 1.00 63.31 H new ATOM 177 N LEU A 11 -6.591 14.342 2.640 1.00 12.34 N ATOM 178 CA LEU A 11 -7.299 15.602 2.841 1.00 32.02 C ATOM 179 C LEU A 11 -6.881 16.258 4.153 1.00 34.24 C ATOM 180 O LEU A 11 -6.907 17.481 4.284 1.00 42.21 O ATOM 181 CB LEU A 11 -8.810 15.367 2.834 1.00 71.13 C ATOM 182 CG LEU A 11 -9.492 15.339 4.203 1.00 2.33 C ATOM 183 CD1 LEU A 11 -9.825 16.750 4.662 1.00 53.34 C ATOM 184 CD2 LEU A 11 -10.747 14.480 4.157 1.00 64.02 C ATOM 0 H LEU A 11 -7.198 13.538 2.480 1.00 12.34 H new ATOM 0 HA LEU A 11 -7.038 16.272 2.022 1.00 32.02 H new ATOM 0 HB2 LEU A 11 -9.276 16.149 2.234 1.00 71.13 H new ATOM 0 HB3 LEU A 11 -9.008 14.420 2.332 1.00 71.13 H new ATOM 0 HG LEU A 11 -8.802 14.899 4.922 1.00 2.33 H new ATOM 0 HD11 LEU A 11 -10.310 16.710 5.638 1.00 53.34 H new ATOM 0 HD12 LEU A 11 -8.908 17.335 4.736 1.00 53.34 H new ATOM 0 HD13 LEU A 11 -10.497 17.218 3.942 1.00 53.34 H new ATOM 0 HD21 LEU A 11 -11.219 14.472 5.140 1.00 64.02 H new ATOM 0 HD22 LEU A 11 -11.442 14.890 3.424 1.00 64.02 H new ATOM 0 HD23 LEU A 11 -10.481 13.462 3.874 1.00 64.02 H new ATOM 196 N PHE A 12 -6.493 15.435 5.122 1.00 55.20 N ATOM 197 CA PHE A 12 -6.068 15.935 6.425 1.00 34.31 C ATOM 198 C PHE A 12 -4.936 16.947 6.276 1.00 22.02 C ATOM 199 O PHE A 12 -4.776 17.841 7.106 1.00 14.41 O ATOM 200 CB PHE A 12 -5.617 14.776 7.317 1.00 30.45 C ATOM 201 CG PHE A 12 -6.646 14.363 8.329 1.00 41.11 C ATOM 202 CD1 PHE A 12 -7.966 14.171 7.955 1.00 44.31 C ATOM 203 CD2 PHE A 12 -6.294 14.167 9.655 1.00 70.30 C ATOM 204 CE1 PHE A 12 -8.916 13.789 8.884 1.00 1.24 C ATOM 205 CE2 PHE A 12 -7.239 13.785 10.588 1.00 44.41 C ATOM 206 CZ PHE A 12 -8.552 13.598 10.203 1.00 22.10 C ATOM 0 H PHE A 12 -6.464 14.420 5.030 1.00 55.20 H new ATOM 0 HA PHE A 12 -6.918 16.433 6.890 1.00 34.31 H new ATOM 0 HB2 PHE A 12 -5.372 13.919 6.689 1.00 30.45 H new ATOM 0 HB3 PHE A 12 -4.703 15.062 7.837 1.00 30.45 H new ATOM 0 HD1 PHE A 12 -8.256 14.321 6.926 1.00 44.31 H new ATOM 0 HD2 PHE A 12 -5.269 14.315 9.963 1.00 70.30 H new ATOM 0 HE1 PHE A 12 -9.941 13.640 8.579 1.00 1.24 H new ATOM 0 HE2 PHE A 12 -6.951 13.633 11.618 1.00 44.41 H new ATOM 0 HZ PHE A 12 -9.293 13.303 10.931 1.00 22.10 H new ATOM 216 N GLU A 13 -4.153 16.799 5.211 1.00 13.42 N ATOM 217 CA GLU A 13 -3.036 17.700 4.953 1.00 74.30 C ATOM 218 C GLU A 13 -3.533 19.109 4.646 1.00 21.31 C ATOM 219 O GLU A 13 -2.866 20.095 4.959 1.00 51.20 O ATOM 220 CB GLU A 13 -2.191 17.179 3.789 1.00 31.24 C ATOM 221 CG GLU A 13 -0.710 17.493 3.925 1.00 61.42 C ATOM 222 CD GLU A 13 0.111 16.277 4.312 1.00 4.13 C ATOM 223 OE1 GLU A 13 0.895 15.798 3.467 1.00 64.23 O ATOM 224 OE2 GLU A 13 -0.031 15.806 5.460 1.00 1.45 O ATOM 0 H GLU A 13 -4.272 16.064 4.514 1.00 13.42 H new ATOM 0 HA GLU A 13 -2.419 17.740 5.851 1.00 74.30 H new ATOM 0 HB2 GLU A 13 -2.320 16.099 3.712 1.00 31.24 H new ATOM 0 HB3 GLU A 13 -2.562 17.611 2.860 1.00 31.24 H new ATOM 0 HG2 GLU A 13 -0.339 17.892 2.981 1.00 61.42 H new ATOM 0 HG3 GLU A 13 -0.575 18.272 4.675 1.00 61.42 H new ATOM 231 N GLU A 14 -4.707 19.195 4.029 1.00 72.24 N ATOM 232 CA GLU A 14 -5.292 20.483 3.678 1.00 44.13 C ATOM 233 C GLU A 14 -5.338 21.409 4.890 1.00 55.12 C ATOM 234 O GLU A 14 -4.878 22.549 4.831 1.00 2.00 O ATOM 235 CB GLU A 14 -6.702 20.292 3.116 1.00 50.02 C ATOM 236 CG GLU A 14 -7.043 21.251 1.989 1.00 2.51 C ATOM 237 CD GLU A 14 -6.509 20.790 0.647 1.00 11.23 C ATOM 238 OE1 GLU A 14 -5.963 19.668 0.581 1.00 41.24 O ATOM 239 OE2 GLU A 14 -6.634 21.549 -0.336 1.00 45.42 O ATOM 0 H GLU A 14 -5.271 18.388 3.762 1.00 72.24 H new ATOM 0 HA GLU A 14 -4.663 20.942 2.915 1.00 44.13 H new ATOM 0 HB2 GLU A 14 -6.804 19.269 2.754 1.00 50.02 H new ATOM 0 HB3 GLU A 14 -7.425 20.419 3.921 1.00 50.02 H new ATOM 0 HG2 GLU A 14 -8.126 21.361 1.926 1.00 2.51 H new ATOM 0 HG3 GLU A 14 -6.635 22.235 2.219 1.00 2.51 H new ATOM 246 N TRP A 15 -5.896 20.911 5.987 1.00 60.23 N ATOM 247 CA TRP A 15 -6.002 21.693 7.213 1.00 75.33 C ATOM 248 C TRP A 15 -4.635 22.204 7.653 1.00 13.42 C ATOM 249 O TRP A 15 -4.446 23.404 7.855 1.00 33.20 O ATOM 250 CB TRP A 15 -6.628 20.850 8.327 1.00 35.41 C ATOM 251 CG TRP A 15 -7.932 20.224 7.937 1.00 14.54 C ATOM 252 CD1 TRP A 15 -8.830 20.701 7.026 1.00 31.13 C ATOM 253 CD2 TRP A 15 -8.486 19.007 8.450 1.00 22.54 C ATOM 254 NE1 TRP A 15 -9.908 19.854 6.940 1.00 44.14 N ATOM 255 CE2 TRP A 15 -9.721 18.806 7.802 1.00 13.43 C ATOM 256 CE3 TRP A 15 -8.057 18.066 9.390 1.00 45.20 C ATOM 257 CZ2 TRP A 15 -10.529 17.705 8.068 1.00 44.40 C ATOM 258 CZ3 TRP A 15 -8.861 16.973 9.652 1.00 43.45 C ATOM 259 CH2 TRP A 15 -10.086 16.800 8.993 1.00 65.51 C ATOM 0 H TRP A 15 -6.282 19.969 6.053 1.00 60.23 H new ATOM 0 HA TRP A 15 -6.642 22.552 7.012 1.00 75.33 H new ATOM 0 HB2 TRP A 15 -5.929 20.065 8.616 1.00 35.41 H new ATOM 0 HB3 TRP A 15 -6.783 21.478 9.205 1.00 35.41 H new ATOM 0 HD1 TRP A 15 -8.710 21.611 6.456 1.00 31.13 H new ATOM 0 HE1 TRP A 15 -10.717 19.984 6.332 1.00 44.14 H new ATOM 0 HE3 TRP A 15 -7.114 18.191 9.902 1.00 45.20 H new ATOM 0 HZ2 TRP A 15 -11.473 17.570 7.562 1.00 44.40 H new ATOM 0 HZ3 TRP A 15 -8.540 16.240 10.377 1.00 43.45 H new ATOM 0 HH2 TRP A 15 -10.692 15.935 9.220 1.00 65.51 H new ATOM 270 N LYS A 16 -3.684 21.288 7.800 1.00 62.12 N ATOM 271 CA LYS A 16 -2.333 21.646 8.214 1.00 12.12 C ATOM 272 C LYS A 16 -1.730 22.680 7.269 1.00 62.44 C ATOM 273 O LYS A 16 -0.929 23.520 7.679 1.00 71.11 O ATOM 274 CB LYS A 16 -1.444 20.402 8.261 1.00 51.22 C ATOM 275 CG LYS A 16 -1.584 19.601 9.544 1.00 45.14 C ATOM 276 CD LYS A 16 -0.692 18.371 9.535 1.00 4.43 C ATOM 277 CE LYS A 16 0.780 18.752 9.478 1.00 52.53 C ATOM 278 NZ LYS A 16 1.529 18.247 10.662 1.00 31.34 N ATOM 0 H LYS A 16 -3.824 20.291 7.638 1.00 62.12 H new ATOM 0 HA LYS A 16 -2.390 22.081 9.212 1.00 12.12 H new ATOM 0 HB2 LYS A 16 -1.687 19.760 7.414 1.00 51.22 H new ATOM 0 HB3 LYS A 16 -0.404 20.705 8.144 1.00 51.22 H new ATOM 0 HG2 LYS A 16 -1.328 20.230 10.396 1.00 45.14 H new ATOM 0 HG3 LYS A 16 -2.623 19.297 9.672 1.00 45.14 H new ATOM 0 HD2 LYS A 16 -0.881 17.776 10.429 1.00 4.43 H new ATOM 0 HD3 LYS A 16 -0.941 17.746 8.678 1.00 4.43 H new ATOM 0 HE2 LYS A 16 1.225 18.349 8.568 1.00 52.53 H new ATOM 0 HE3 LYS A 16 0.873 19.837 9.425 1.00 52.53 H new ATOM 0 HZ1 LYS A 16 2.528 18.527 10.586 1.00 31.34 H new ATOM 0 HZ2 LYS A 16 1.121 18.651 11.529 1.00 31.34 H new ATOM 0 HZ3 LYS A 16 1.462 17.210 10.699 1.00 31.34 H new ATOM 292 N LYS A 17 -2.120 22.613 6.000 1.00 55.44 N ATOM 293 CA LYS A 17 -1.621 23.545 4.995 1.00 71.54 C ATOM 294 C LYS A 17 -1.852 24.989 5.429 1.00 42.24 C ATOM 295 O LYS A 17 -0.934 25.809 5.407 1.00 33.13 O ATOM 296 CB LYS A 17 -2.304 23.289 3.650 1.00 41.32 C ATOM 297 CG LYS A 17 -1.504 23.785 2.458 1.00 31.24 C ATOM 298 CD LYS A 17 -1.081 22.638 1.555 1.00 62.42 C ATOM 299 CE LYS A 17 -0.140 23.111 0.457 1.00 74.13 C ATOM 300 NZ LYS A 17 0.029 22.085 -0.608 1.00 72.31 N ATOM 0 H LYS A 17 -2.781 21.923 5.643 1.00 55.44 H new ATOM 0 HA LYS A 17 -0.548 23.385 4.887 1.00 71.54 H new ATOM 0 HB2 LYS A 17 -2.480 22.219 3.539 1.00 41.32 H new ATOM 0 HB3 LYS A 17 -3.280 23.774 3.649 1.00 41.32 H new ATOM 0 HG2 LYS A 17 -2.101 24.497 1.888 1.00 31.24 H new ATOM 0 HG3 LYS A 17 -0.620 24.319 2.808 1.00 31.24 H new ATOM 0 HD2 LYS A 17 -0.590 21.867 2.149 1.00 62.42 H new ATOM 0 HD3 LYS A 17 -1.964 22.181 1.107 1.00 62.42 H new ATOM 0 HE2 LYS A 17 -0.528 24.030 0.018 1.00 74.13 H new ATOM 0 HE3 LYS A 17 0.832 23.349 0.889 1.00 74.13 H new ATOM 0 HZ1 LYS A 17 0.677 22.445 -1.337 1.00 72.31 H new ATOM 0 HZ2 LYS A 17 0.423 21.216 -0.194 1.00 72.31 H new ATOM 0 HZ3 LYS A 17 -0.894 21.876 -1.038 1.00 72.31 H new ATOM 314 N LEU A 18 -3.083 25.293 5.824 1.00 40.03 N ATOM 315 CA LEU A 18 -3.435 26.639 6.265 1.00 31.31 C ATOM 316 C LEU A 18 -2.900 26.909 7.668 1.00 2.11 C ATOM 317 O LEU A 18 -2.568 28.044 8.008 1.00 51.14 O ATOM 318 CB LEU A 18 -4.953 26.824 6.241 1.00 35.12 C ATOM 319 CG LEU A 18 -5.656 26.445 4.937 1.00 34.53 C ATOM 320 CD1 LEU A 18 -6.855 25.555 5.216 1.00 40.43 C ATOM 321 CD2 LEU A 18 -6.079 27.694 4.178 1.00 10.41 C ATOM 0 H LEU A 18 -3.854 24.626 5.848 1.00 40.03 H new ATOM 0 HA LEU A 18 -2.978 27.351 5.578 1.00 31.31 H new ATOM 0 HB2 LEU A 18 -5.384 26.231 7.048 1.00 35.12 H new ATOM 0 HB3 LEU A 18 -5.175 27.869 6.459 1.00 35.12 H new ATOM 0 HG LEU A 18 -4.955 25.888 4.316 1.00 34.53 H new ATOM 0 HD11 LEU A 18 -7.342 25.296 4.276 1.00 40.43 H new ATOM 0 HD12 LEU A 18 -6.524 24.645 5.716 1.00 40.43 H new ATOM 0 HD13 LEU A 18 -7.560 26.085 5.856 1.00 40.43 H new ATOM 0 HD21 LEU A 18 -6.578 27.406 3.253 1.00 10.41 H new ATOM 0 HD22 LEU A 18 -6.764 28.279 4.792 1.00 10.41 H new ATOM 0 HD23 LEU A 18 -5.199 28.293 3.945 1.00 10.41 H new ATOM 333 N ALA A 19 -2.817 25.857 8.477 1.00 1.01 N ATOM 334 CA ALA A 19 -2.319 25.981 9.841 1.00 34.05 C ATOM 335 C ALA A 19 -0.867 26.449 9.855 1.00 4.31 C ATOM 336 O ALA A 19 -0.495 27.318 10.643 1.00 11.12 O ATOM 337 CB ALA A 19 -2.453 24.654 10.574 1.00 43.44 C ATOM 0 H ALA A 19 -3.088 24.910 8.211 1.00 1.01 H new ATOM 0 HA ALA A 19 -2.921 26.731 10.354 1.00 34.05 H new ATOM 0 HB1 ALA A 19 -2.077 24.761 11.592 1.00 43.44 H new ATOM 0 HB2 ALA A 19 -3.502 24.359 10.604 1.00 43.44 H new ATOM 0 HB3 ALA A 19 -1.876 23.890 10.053 1.00 43.44 H new ATOM 343 N GLU A 20 -0.054 25.869 8.978 1.00 53.05 N ATOM 344 CA GLU A 20 1.357 26.228 8.893 1.00 65.35 C ATOM 345 C GLU A 20 1.524 27.657 8.383 1.00 75.40 C ATOM 346 O GLU A 20 2.397 28.391 8.846 1.00 60.01 O ATOM 347 CB GLU A 20 2.097 25.257 7.971 1.00 63.52 C ATOM 348 CG GLU A 20 3.610 25.394 8.029 1.00 53.41 C ATOM 349 CD GLU A 20 4.276 25.072 6.707 1.00 22.15 C ATOM 350 OE1 GLU A 20 5.056 24.098 6.657 1.00 73.00 O ATOM 351 OE2 GLU A 20 4.019 25.795 5.720 1.00 55.11 O ATOM 0 H GLU A 20 -0.347 25.150 8.317 1.00 53.05 H new ATOM 0 HA GLU A 20 1.784 26.165 9.894 1.00 65.35 H new ATOM 0 HB2 GLU A 20 1.823 24.236 8.237 1.00 63.52 H new ATOM 0 HB3 GLU A 20 1.765 25.419 6.945 1.00 63.52 H new ATOM 0 HG2 GLU A 20 3.868 26.411 8.323 1.00 53.41 H new ATOM 0 HG3 GLU A 20 4.002 24.730 8.800 1.00 53.41 H new ATOM 358 N GLU A 21 0.683 28.042 7.429 1.00 33.41 N ATOM 359 CA GLU A 21 0.739 29.382 6.857 1.00 73.30 C ATOM 360 C GLU A 21 0.269 30.425 7.867 1.00 44.01 C ATOM 361 O GLU A 21 0.728 31.566 7.856 1.00 14.30 O ATOM 362 CB GLU A 21 -0.117 29.457 5.592 1.00 50.33 C ATOM 363 CG GLU A 21 0.153 30.689 4.745 1.00 15.21 C ATOM 364 CD GLU A 21 1.355 30.519 3.836 1.00 60.31 C ATOM 365 OE1 GLU A 21 2.393 31.160 4.100 1.00 25.15 O ATOM 366 OE2 GLU A 21 1.256 29.745 2.861 1.00 23.14 O ATOM 0 H GLU A 21 -0.045 27.445 7.036 1.00 33.41 H new ATOM 0 HA GLU A 21 1.776 29.595 6.597 1.00 73.30 H new ATOM 0 HB2 GLU A 21 0.062 28.566 4.990 1.00 50.33 H new ATOM 0 HB3 GLU A 21 -1.170 29.445 5.875 1.00 50.33 H new ATOM 0 HG2 GLU A 21 -0.727 30.910 4.141 1.00 15.21 H new ATOM 0 HG3 GLU A 21 0.314 31.546 5.398 1.00 15.21 H new ATOM 373 N ALA A 22 -0.652 30.024 8.737 1.00 74.41 N ATOM 374 CA ALA A 22 -1.185 30.921 9.755 1.00 64.11 C ATOM 375 C ALA A 22 -0.142 31.217 10.828 1.00 24.34 C ATOM 376 O ALA A 22 -0.116 32.307 11.397 1.00 35.53 O ATOM 377 CB ALA A 22 -2.435 30.325 10.382 1.00 43.24 C ATOM 0 H ALA A 22 -1.045 29.083 8.757 1.00 74.41 H new ATOM 0 HA ALA A 22 -1.448 31.862 9.272 1.00 64.11 H new ATOM 0 HB1 ALA A 22 -2.822 31.006 11.140 1.00 43.24 H new ATOM 0 HB2 ALA A 22 -3.191 30.172 9.612 1.00 43.24 H new ATOM 0 HB3 ALA A 22 -2.190 29.369 10.844 1.00 43.24 H new ATOM 383 N ALA A 23 0.715 30.238 11.098 1.00 21.55 N ATOM 384 CA ALA A 23 1.761 30.394 12.101 1.00 74.51 C ATOM 385 C ALA A 23 2.760 31.470 11.690 1.00 40.00 C ATOM 386 O ALA A 23 3.344 32.147 12.537 1.00 72.43 O ATOM 387 CB ALA A 23 2.474 29.070 12.331 1.00 64.42 C ATOM 0 H ALA A 23 0.705 29.329 10.636 1.00 21.55 H new ATOM 0 HA ALA A 23 1.291 30.708 13.033 1.00 74.51 H new ATOM 0 HB1 ALA A 23 3.253 29.202 13.082 1.00 64.42 H new ATOM 0 HB2 ALA A 23 1.757 28.326 12.678 1.00 64.42 H new ATOM 0 HB3 ALA A 23 2.924 28.732 11.398 1.00 64.42 H new ATOM 393 N LYS A 24 2.954 31.623 10.385 1.00 5.11 N ATOM 394 CA LYS A 24 3.883 32.617 9.860 1.00 3.12 C ATOM 395 C LYS A 24 3.417 34.030 10.199 1.00 41.35 C ATOM 396 O LYS A 24 4.231 34.930 10.405 1.00 2.11 O ATOM 397 CB LYS A 24 4.021 32.466 8.343 1.00 61.24 C ATOM 398 CG LYS A 24 5.426 32.733 7.831 1.00 10.01 C ATOM 399 CD LYS A 24 5.504 32.594 6.320 1.00 11.21 C ATOM 400 CE LYS A 24 6.666 33.391 5.746 1.00 52.14 C ATOM 401 NZ LYS A 24 7.226 32.753 4.523 1.00 20.40 N ATOM 0 H LYS A 24 2.480 31.071 9.670 1.00 5.11 H new ATOM 0 HA LYS A 24 4.854 32.451 10.326 1.00 3.12 H new ATOM 0 HB2 LYS A 24 3.725 31.456 8.058 1.00 61.24 H new ATOM 0 HB3 LYS A 24 3.329 33.151 7.854 1.00 61.24 H new ATOM 0 HG2 LYS A 24 5.736 33.737 8.121 1.00 10.01 H new ATOM 0 HG3 LYS A 24 6.123 32.037 8.298 1.00 10.01 H new ATOM 0 HD2 LYS A 24 5.617 31.543 6.056 1.00 11.21 H new ATOM 0 HD3 LYS A 24 4.571 32.937 5.873 1.00 11.21 H new ATOM 0 HE2 LYS A 24 6.331 34.401 5.508 1.00 52.14 H new ATOM 0 HE3 LYS A 24 7.449 33.484 6.498 1.00 52.14 H new ATOM 0 HZ1 LYS A 24 8.015 33.326 4.163 1.00 20.40 H new ATOM 0 HZ2 LYS A 24 7.569 31.799 4.755 1.00 20.40 H new ATOM 0 HZ3 LYS A 24 6.486 32.687 3.796 1.00 20.40 H new ATOM 415 N LEU A 25 2.103 34.216 10.258 1.00 54.21 N ATOM 416 CA LEU A 25 1.528 35.519 10.575 1.00 40.20 C ATOM 417 C LEU A 25 1.666 35.827 12.062 1.00 54.33 C ATOM 418 O LEU A 25 1.790 36.987 12.459 1.00 30.03 O ATOM 419 CB LEU A 25 0.055 35.560 10.168 1.00 3.54 C ATOM 420 CG LEU A 25 -0.281 36.425 8.951 1.00 75.45 C ATOM 421 CD1 LEU A 25 0.053 37.883 9.224 1.00 44.21 C ATOM 422 CD2 LEU A 25 0.465 35.926 7.722 1.00 44.33 C ATOM 0 H LEU A 25 1.416 33.481 10.091 1.00 54.21 H new ATOM 0 HA LEU A 25 2.075 36.277 10.014 1.00 40.20 H new ATOM 0 HB2 LEU A 25 -0.274 34.541 9.966 1.00 3.54 H new ATOM 0 HB3 LEU A 25 -0.526 35.921 11.017 1.00 3.54 H new ATOM 0 HG LEU A 25 -1.351 36.349 8.759 1.00 75.45 H new ATOM 0 HD11 LEU A 25 -0.193 38.483 8.348 1.00 44.21 H new ATOM 0 HD12 LEU A 25 -0.525 38.235 10.078 1.00 44.21 H new ATOM 0 HD13 LEU A 25 1.117 37.978 9.442 1.00 44.21 H new ATOM 0 HD21 LEU A 25 0.215 36.552 6.865 1.00 44.33 H new ATOM 0 HD22 LEU A 25 1.539 35.973 7.904 1.00 44.33 H new ATOM 0 HD23 LEU A 25 0.177 34.895 7.515 1.00 44.33 H new ATOM 434 N LEU A 26 1.643 34.782 12.883 1.00 40.13 N ATOM 435 CA LEU A 26 1.767 34.941 14.328 1.00 41.24 C ATOM 436 C LEU A 26 3.217 35.197 14.725 1.00 50.32 C ATOM 437 O LEU A 26 3.489 35.803 15.761 1.00 70.10 O ATOM 438 CB LEU A 26 1.243 33.695 15.043 1.00 54.31 C ATOM 439 CG LEU A 26 -0.229 33.727 15.456 1.00 74.11 C ATOM 440 CD1 LEU A 26 -0.632 32.411 16.102 1.00 70.34 C ATOM 441 CD2 LEU A 26 -0.493 34.889 16.403 1.00 2.34 C ATOM 0 H LEU A 26 1.540 33.816 12.573 1.00 40.13 H new ATOM 0 HA LEU A 26 1.171 35.803 14.627 1.00 41.24 H new ATOM 0 HB2 LEU A 26 1.398 32.835 14.392 1.00 54.31 H new ATOM 0 HB3 LEU A 26 1.847 33.532 15.936 1.00 54.31 H new ATOM 0 HG LEU A 26 -0.833 33.869 14.560 1.00 74.11 H new ATOM 0 HD11 LEU A 26 -1.683 32.453 16.389 1.00 70.34 H new ATOM 0 HD12 LEU A 26 -0.482 31.597 15.393 1.00 70.34 H new ATOM 0 HD13 LEU A 26 -0.021 32.238 16.988 1.00 70.34 H new ATOM 0 HD21 LEU A 26 -1.546 34.896 16.686 1.00 2.34 H new ATOM 0 HD22 LEU A 26 0.122 34.778 17.296 1.00 2.34 H new ATOM 0 HD23 LEU A 26 -0.245 35.827 15.906 1.00 2.34 H new ATOM 453 N GLU A 27 4.144 34.733 13.893 1.00 24.01 N ATOM 454 CA GLU A 27 5.567 34.914 14.157 1.00 15.10 C ATOM 455 C GLU A 27 6.108 36.132 13.414 1.00 62.31 C ATOM 456 O GLU A 27 7.098 36.735 13.826 1.00 73.11 O ATOM 457 CB GLU A 27 6.348 33.663 13.746 1.00 1.41 C ATOM 458 CG GLU A 27 6.502 33.509 12.243 1.00 2.21 C ATOM 459 CD GLU A 27 7.065 32.157 11.850 1.00 3.11 C ATOM 460 OE1 GLU A 27 7.385 31.972 10.657 1.00 41.41 O ATOM 461 OE2 GLU A 27 7.186 31.284 12.734 1.00 42.54 O ATOM 0 H GLU A 27 3.936 34.229 13.031 1.00 24.01 H new ATOM 0 HA GLU A 27 5.694 35.077 15.227 1.00 15.10 H new ATOM 0 HB2 GLU A 27 7.337 33.696 14.203 1.00 1.41 H new ATOM 0 HB3 GLU A 27 5.843 32.783 14.143 1.00 1.41 H new ATOM 0 HG2 GLU A 27 5.532 33.647 11.766 1.00 2.21 H new ATOM 0 HG3 GLU A 27 7.157 34.295 11.866 1.00 2.21 H new ATOM 468 N GLY A 28 5.450 36.487 12.314 1.00 12.34 N ATOM 469 CA GLY A 28 5.879 37.631 11.530 1.00 13.13 C ATOM 470 C GLY A 28 6.042 38.882 12.371 1.00 35.51 C ATOM 471 O GLY A 28 7.131 39.451 12.445 1.00 73.13 O ATOM 0 H GLY A 28 4.628 36.003 11.952 1.00 12.34 H new ATOM 0 HA2 GLY A 28 6.826 37.399 11.042 1.00 13.13 H new ATOM 0 HA3 GLY A 28 5.152 37.820 10.740 1.00 13.13 H new ATOM 524 N GLU A 36 5.549 33.069 21.656 1.00 43.32 N ATOM 525 CA GLU A 36 4.764 31.947 22.159 1.00 14.22 C ATOM 526 C GLU A 36 3.609 31.624 21.216 1.00 75.12 C ATOM 527 O GLU A 36 3.160 30.479 21.138 1.00 5.55 O ATOM 528 CB GLU A 36 4.225 32.261 23.557 1.00 42.53 C ATOM 529 CG GLU A 36 3.199 31.256 24.052 1.00 74.24 C ATOM 530 CD GLU A 36 2.657 31.604 25.425 1.00 10.13 C ATOM 531 OE1 GLU A 36 3.364 31.354 26.423 1.00 32.44 O ATOM 532 OE2 GLU A 36 1.525 32.127 25.501 1.00 72.54 O ATOM 0 HA GLU A 36 5.416 31.076 22.216 1.00 14.22 H new ATOM 0 HB2 GLU A 36 5.058 32.294 24.260 1.00 42.53 H new ATOM 0 HB3 GLU A 36 3.775 33.254 23.549 1.00 42.53 H new ATOM 0 HG2 GLU A 36 2.374 31.205 23.342 1.00 74.24 H new ATOM 0 HG3 GLU A 36 3.653 30.265 24.085 1.00 74.24 H new ATOM 539 N LEU A 37 3.133 32.638 20.504 1.00 55.03 N ATOM 540 CA LEU A 37 2.030 32.463 19.567 1.00 64.13 C ATOM 541 C LEU A 37 2.310 31.312 18.604 1.00 11.33 C ATOM 542 O LEU A 37 1.389 30.645 18.135 1.00 12.31 O ATOM 543 CB LEU A 37 1.792 33.753 18.780 1.00 53.40 C ATOM 544 CG LEU A 37 1.403 34.980 19.606 1.00 54.10 C ATOM 545 CD1 LEU A 37 1.699 36.258 18.837 1.00 24.52 C ATOM 546 CD2 LEU A 37 -0.067 34.918 19.995 1.00 32.24 C ATOM 0 H LEU A 37 3.494 33.591 20.558 1.00 55.03 H new ATOM 0 HA LEU A 37 1.135 32.224 20.141 1.00 64.13 H new ATOM 0 HB2 LEU A 37 2.699 33.988 18.222 1.00 53.40 H new ATOM 0 HB3 LEU A 37 1.006 33.569 18.048 1.00 53.40 H new ATOM 0 HG LEU A 37 2.000 34.983 20.518 1.00 54.10 H new ATOM 0 HD11 LEU A 37 1.416 37.120 19.441 1.00 24.52 H new ATOM 0 HD12 LEU A 37 2.764 36.308 18.611 1.00 24.52 H new ATOM 0 HD13 LEU A 37 1.130 36.263 17.907 1.00 24.52 H new ATOM 0 HD21 LEU A 37 -0.325 35.799 20.582 1.00 32.24 H new ATOM 0 HD22 LEU A 37 -0.681 34.889 19.095 1.00 32.24 H new ATOM 0 HD23 LEU A 37 -0.249 34.021 20.587 1.00 32.24 H new ATOM 558 N MET A 38 3.587 31.087 18.318 1.00 64.11 N ATOM 559 CA MET A 38 3.989 30.015 17.413 1.00 75.22 C ATOM 560 C MET A 38 3.401 28.679 17.859 1.00 40.13 C ATOM 561 O MET A 38 3.098 27.817 17.034 1.00 51.25 O ATOM 562 CB MET A 38 5.514 29.916 17.350 1.00 54.30 C ATOM 563 CG MET A 38 6.135 29.282 18.585 1.00 5.40 C ATOM 564 SD MET A 38 7.936 29.239 18.512 1.00 14.42 S ATOM 565 CE MET A 38 8.318 30.989 18.554 1.00 54.43 C ATOM 0 H MET A 38 4.361 31.631 18.699 1.00 64.11 H new ATOM 0 HA MET A 38 3.606 30.249 16.420 1.00 75.22 H new ATOM 0 HB2 MET A 38 5.796 29.334 16.472 1.00 54.30 H new ATOM 0 HB3 MET A 38 5.929 30.915 17.217 1.00 54.30 H new ATOM 0 HG2 MET A 38 5.824 29.838 19.469 1.00 5.40 H new ATOM 0 HG3 MET A 38 5.755 28.266 18.697 1.00 5.40 H new ATOM 0 HE1 MET A 38 9.352 31.128 18.869 1.00 54.43 H new ATOM 0 HE2 MET A 38 8.181 31.415 17.560 1.00 54.43 H new ATOM 0 HE3 MET A 38 7.653 31.490 19.258 1.00 54.43 H new ATOM 575 N LYS A 39 3.241 28.515 19.168 1.00 2.10 N ATOM 576 CA LYS A 39 2.688 27.286 19.724 1.00 12.14 C ATOM 577 C LYS A 39 1.174 27.242 19.547 1.00 52.43 C ATOM 578 O LYS A 39 0.591 26.173 19.361 1.00 41.31 O ATOM 579 CB LYS A 39 3.043 27.168 21.207 1.00 33.10 C ATOM 580 CG LYS A 39 2.748 25.800 21.797 1.00 63.43 C ATOM 581 CD LYS A 39 3.986 24.918 21.806 1.00 70.24 C ATOM 582 CE LYS A 39 3.630 23.454 21.597 1.00 11.10 C ATOM 583 NZ LYS A 39 2.991 23.223 20.273 1.00 61.23 N ATOM 0 H LYS A 39 3.487 29.219 19.864 1.00 2.10 H new ATOM 0 HA LYS A 39 3.123 26.445 19.185 1.00 12.14 H new ATOM 0 HB2 LYS A 39 4.102 27.389 21.337 1.00 33.10 H new ATOM 0 HB3 LYS A 39 2.489 27.922 21.766 1.00 33.10 H new ATOM 0 HG2 LYS A 39 2.374 25.914 22.814 1.00 63.43 H new ATOM 0 HG3 LYS A 39 1.960 25.316 21.220 1.00 63.43 H new ATOM 0 HD2 LYS A 39 4.671 25.242 21.022 1.00 70.24 H new ATOM 0 HD3 LYS A 39 4.510 25.034 22.755 1.00 70.24 H new ATOM 0 HE2 LYS A 39 4.531 22.846 21.676 1.00 11.10 H new ATOM 0 HE3 LYS A 39 2.955 23.128 22.388 1.00 11.10 H new ATOM 0 HZ1 LYS A 39 3.187 22.251 19.958 1.00 61.23 H new ATOM 0 HZ2 LYS A 39 1.963 23.360 20.355 1.00 61.23 H new ATOM 0 HZ3 LYS A 39 3.376 23.896 19.580 1.00 61.23 H new ATOM 597 N LEU A 40 0.542 28.409 19.606 1.00 51.30 N ATOM 598 CA LEU A 40 -0.906 28.505 19.452 1.00 63.41 C ATOM 599 C LEU A 40 -1.354 27.884 18.133 1.00 65.43 C ATOM 600 O LEU A 40 -2.336 27.141 18.087 1.00 52.11 O ATOM 601 CB LEU A 40 -1.350 29.967 19.516 1.00 31.05 C ATOM 602 CG LEU A 40 -2.392 30.305 20.583 1.00 0.42 C ATOM 603 CD1 LEU A 40 -3.668 29.511 20.355 1.00 23.34 C ATOM 604 CD2 LEU A 40 -1.837 30.037 21.974 1.00 33.14 C ATOM 0 H LEU A 40 1.009 29.302 19.759 1.00 51.30 H new ATOM 0 HA LEU A 40 -1.371 27.954 20.270 1.00 63.41 H new ATOM 0 HB2 LEU A 40 -0.470 30.586 19.687 1.00 31.05 H new ATOM 0 HB3 LEU A 40 -1.752 30.247 18.542 1.00 31.05 H new ATOM 0 HG LEU A 40 -2.631 31.366 20.506 1.00 0.42 H new ATOM 0 HD11 LEU A 40 -4.397 29.765 21.124 1.00 23.34 H new ATOM 0 HD12 LEU A 40 -4.076 29.753 19.374 1.00 23.34 H new ATOM 0 HD13 LEU A 40 -3.447 28.445 20.403 1.00 23.34 H new ATOM 0 HD21 LEU A 40 -2.592 30.283 22.721 1.00 33.14 H new ATOM 0 HD22 LEU A 40 -1.569 28.984 22.062 1.00 33.14 H new ATOM 0 HD23 LEU A 40 -0.952 30.652 22.137 1.00 33.14 H new ATOM 616 N CYS A 41 -0.628 28.188 17.063 1.00 11.22 N ATOM 617 CA CYS A 41 -0.951 27.658 15.743 1.00 32.34 C ATOM 618 C CYS A 41 -0.534 26.196 15.628 1.00 21.30 C ATOM 619 O CYS A 41 -1.296 25.360 15.144 1.00 51.44 O ATOM 620 CB CYS A 41 -0.261 28.485 14.657 1.00 44.13 C ATOM 621 SG CYS A 41 -1.306 28.838 13.223 1.00 31.05 S ATOM 0 H CYS A 41 0.189 28.799 17.084 1.00 11.22 H new ATOM 0 HA CYS A 41 -2.031 27.721 15.607 1.00 32.34 H new ATOM 0 HB2 CYS A 41 0.073 29.428 15.090 1.00 44.13 H new ATOM 0 HB3 CYS A 41 0.630 27.954 14.322 1.00 44.13 H new ATOM 0 HG CYS A 41 -0.883 28.157 12.200 1.00 31.05 H new ATOM 627 N GLU A 42 0.682 25.895 16.075 1.00 45.21 N ATOM 628 CA GLU A 42 1.199 24.533 16.020 1.00 4.14 C ATOM 629 C GLU A 42 0.265 23.565 16.740 1.00 43.43 C ATOM 630 O GLU A 42 -0.026 22.480 16.239 1.00 74.32 O ATOM 631 CB GLU A 42 2.595 24.469 16.641 1.00 33.31 C ATOM 632 CG GLU A 42 3.247 23.101 16.536 1.00 24.31 C ATOM 633 CD GLU A 42 4.761 23.177 16.490 1.00 50.11 C ATOM 634 OE1 GLU A 42 5.333 24.032 17.200 1.00 4.11 O ATOM 635 OE2 GLU A 42 5.375 22.383 15.746 1.00 55.24 O ATOM 0 H GLU A 42 1.326 26.575 16.478 1.00 45.21 H new ATOM 0 HA GLU A 42 1.261 24.238 14.973 1.00 4.14 H new ATOM 0 HB2 GLU A 42 3.234 25.205 16.153 1.00 33.31 H new ATOM 0 HB3 GLU A 42 2.529 24.751 17.692 1.00 33.31 H new ATOM 0 HG2 GLU A 42 2.943 22.492 17.387 1.00 24.31 H new ATOM 0 HG3 GLU A 42 2.885 22.598 15.639 1.00 24.31 H new ATOM 642 N GLU A 43 -0.201 23.969 17.918 1.00 24.43 N ATOM 643 CA GLU A 43 -1.101 23.137 18.708 1.00 42.14 C ATOM 644 C GLU A 43 -2.293 22.679 17.872 1.00 34.02 C ATOM 645 O GLU A 43 -2.643 21.500 17.865 1.00 52.12 O ATOM 646 CB GLU A 43 -1.591 23.903 19.938 1.00 73.30 C ATOM 647 CG GLU A 43 -1.052 23.356 21.250 1.00 22.11 C ATOM 648 CD GLU A 43 -0.801 24.445 22.276 1.00 63.42 C ATOM 649 OE1 GLU A 43 -1.084 24.209 23.470 1.00 30.24 O ATOM 650 OE2 GLU A 43 -0.325 25.531 21.886 1.00 61.52 O ATOM 0 H GLU A 43 0.030 24.866 18.346 1.00 24.43 H new ATOM 0 HA GLU A 43 -0.548 22.256 19.034 1.00 42.14 H new ATOM 0 HB2 GLU A 43 -1.301 24.949 19.844 1.00 73.30 H new ATOM 0 HB3 GLU A 43 -2.680 23.876 19.963 1.00 73.30 H new ATOM 0 HG2 GLU A 43 -1.760 22.635 21.657 1.00 22.11 H new ATOM 0 HG3 GLU A 43 -0.123 22.819 21.061 1.00 22.11 H new ATOM 657 N ALA A 44 -2.912 23.622 17.169 1.00 14.45 N ATOM 658 CA ALA A 44 -4.064 23.317 16.329 1.00 23.51 C ATOM 659 C ALA A 44 -3.734 22.216 15.326 1.00 53.25 C ATOM 660 O ALA A 44 -4.547 21.326 15.080 1.00 61.34 O ATOM 661 CB ALA A 44 -4.536 24.569 15.605 1.00 51.02 C ATOM 0 H ALA A 44 -2.635 24.604 17.165 1.00 14.45 H new ATOM 0 HA ALA A 44 -4.868 22.959 16.972 1.00 23.51 H new ATOM 0 HB1 ALA A 44 -5.397 24.326 14.982 1.00 51.02 H new ATOM 0 HB2 ALA A 44 -4.819 25.327 16.336 1.00 51.02 H new ATOM 0 HB3 ALA A 44 -3.731 24.952 14.978 1.00 51.02 H new ATOM 667 N ALA A 45 -2.539 22.285 14.750 1.00 0.24 N ATOM 668 CA ALA A 45 -2.103 21.293 13.774 1.00 33.13 C ATOM 669 C ALA A 45 -1.699 19.992 14.458 1.00 75.15 C ATOM 670 O ALA A 45 -1.755 18.919 13.857 1.00 23.44 O ATOM 671 CB ALA A 45 -0.946 21.838 12.949 1.00 50.41 C ATOM 0 H ALA A 45 -1.855 23.017 14.942 1.00 0.24 H new ATOM 0 HA ALA A 45 -2.941 21.080 13.110 1.00 33.13 H new ATOM 0 HB1 ALA A 45 -0.630 21.087 12.224 1.00 50.41 H new ATOM 0 HB2 ALA A 45 -1.266 22.738 12.423 1.00 50.41 H new ATOM 0 HB3 ALA A 45 -0.112 22.080 13.608 1.00 50.41 H new ATOM 677 N LYS A 46 -1.292 20.092 15.719 1.00 43.35 N ATOM 678 CA LYS A 46 -0.880 18.923 16.487 1.00 24.00 C ATOM 679 C LYS A 46 -2.043 17.953 16.668 1.00 62.01 C ATOM 680 O LYS A 46 -1.914 16.756 16.410 1.00 3.10 O ATOM 681 CB LYS A 46 -0.339 19.348 17.853 1.00 12.13 C ATOM 682 CG LYS A 46 0.665 18.372 18.440 1.00 34.14 C ATOM 683 CD LYS A 46 1.936 19.079 18.883 1.00 65.51 C ATOM 684 CE LYS A 46 3.011 18.085 19.297 1.00 5.42 C ATOM 685 NZ LYS A 46 2.593 17.274 20.473 1.00 70.03 N ATOM 0 H LYS A 46 -1.239 20.972 16.231 1.00 43.35 H new ATOM 0 HA LYS A 46 -0.090 18.416 15.933 1.00 24.00 H new ATOM 0 HB2 LYS A 46 0.131 20.327 17.760 1.00 12.13 H new ATOM 0 HB3 LYS A 46 -1.173 19.459 18.546 1.00 12.13 H new ATOM 0 HG2 LYS A 46 0.219 17.857 19.291 1.00 34.14 H new ATOM 0 HG3 LYS A 46 0.910 17.611 17.699 1.00 34.14 H new ATOM 0 HD2 LYS A 46 2.309 19.703 18.070 1.00 65.51 H new ATOM 0 HD3 LYS A 46 1.712 19.743 19.718 1.00 65.51 H new ATOM 0 HE2 LYS A 46 3.235 17.423 18.461 1.00 5.42 H new ATOM 0 HE3 LYS A 46 3.930 18.621 19.534 1.00 5.42 H new ATOM 0 HZ1 LYS A 46 3.388 16.682 20.787 1.00 70.03 H new ATOM 0 HZ2 LYS A 46 2.306 17.907 21.247 1.00 70.03 H new ATOM 0 HZ3 LYS A 46 1.792 16.666 20.208 1.00 70.03 H new ATOM 699 N LYS A 47 -3.181 18.477 17.113 1.00 33.14 N ATOM 700 CA LYS A 47 -4.369 17.659 17.328 1.00 4.14 C ATOM 701 C LYS A 47 -4.716 16.866 16.072 1.00 22.20 C ATOM 702 O LYS A 47 -5.066 15.688 16.147 1.00 42.23 O ATOM 703 CB LYS A 47 -5.553 18.539 17.731 1.00 51.51 C ATOM 704 CG LYS A 47 -5.936 18.409 19.196 1.00 3.22 C ATOM 705 CD LYS A 47 -5.574 19.660 19.980 1.00 63.41 C ATOM 706 CE LYS A 47 -4.890 19.315 21.294 1.00 44.12 C ATOM 707 NZ LYS A 47 -5.085 20.381 22.317 1.00 62.23 N ATOM 0 H LYS A 47 -3.305 19.465 17.332 1.00 33.14 H new ATOM 0 HA LYS A 47 -4.156 16.957 18.134 1.00 4.14 H new ATOM 0 HB2 LYS A 47 -5.310 19.580 17.518 1.00 51.51 H new ATOM 0 HB3 LYS A 47 -6.414 18.280 17.115 1.00 51.51 H new ATOM 0 HG2 LYS A 47 -7.007 18.224 19.278 1.00 3.22 H new ATOM 0 HG3 LYS A 47 -5.430 17.547 19.630 1.00 3.22 H new ATOM 0 HD2 LYS A 47 -4.916 20.289 19.380 1.00 63.41 H new ATOM 0 HD3 LYS A 47 -6.475 20.240 20.179 1.00 63.41 H new ATOM 0 HE2 LYS A 47 -5.284 18.372 21.672 1.00 44.12 H new ATOM 0 HE3 LYS A 47 -3.824 19.168 21.121 1.00 44.12 H new ATOM 0 HZ1 LYS A 47 -4.604 20.109 23.198 1.00 62.23 H new ATOM 0 HZ2 LYS A 47 -4.686 21.275 21.967 1.00 62.23 H new ATOM 0 HZ3 LYS A 47 -6.101 20.504 22.501 1.00 62.23 H new ATOM 721 N ALA A 48 -4.616 17.518 14.919 1.00 4.12 N ATOM 722 CA ALA A 48 -4.918 16.872 13.646 1.00 34.14 C ATOM 723 C ALA A 48 -3.973 15.703 13.388 1.00 12.30 C ATOM 724 O ALA A 48 -4.357 14.707 12.777 1.00 45.31 O ATOM 725 CB ALA A 48 -4.835 17.881 12.510 1.00 43.34 C ATOM 0 H ALA A 48 -4.328 18.493 14.839 1.00 4.12 H new ATOM 0 HA ALA A 48 -5.934 16.481 13.696 1.00 34.14 H new ATOM 0 HB1 ALA A 48 -5.063 17.386 11.566 1.00 43.34 H new ATOM 0 HB2 ALA A 48 -5.554 18.682 12.682 1.00 43.34 H new ATOM 0 HB3 ALA A 48 -3.829 18.299 12.467 1.00 43.34 H new ATOM 731 N GLU A 49 -2.736 15.833 13.856 1.00 74.10 N ATOM 732 CA GLU A 49 -1.737 14.787 13.674 1.00 62.41 C ATOM 733 C GLU A 49 -2.006 13.608 14.605 1.00 43.44 C ATOM 734 O GLU A 49 -1.742 12.457 14.258 1.00 11.42 O ATOM 735 CB GLU A 49 -0.333 15.341 13.927 1.00 74.10 C ATOM 736 CG GLU A 49 0.702 14.860 12.924 1.00 11.34 C ATOM 737 CD GLU A 49 2.075 14.684 13.541 1.00 13.44 C ATOM 738 OE1 GLU A 49 2.153 14.189 14.685 1.00 42.22 O ATOM 739 OE2 GLU A 49 3.073 15.042 12.882 1.00 11.44 O ATOM 0 H GLU A 49 -2.402 16.652 14.364 1.00 74.10 H new ATOM 0 HA GLU A 49 -1.801 14.436 12.644 1.00 62.41 H new ATOM 0 HB2 GLU A 49 -0.372 16.430 13.902 1.00 74.10 H new ATOM 0 HB3 GLU A 49 -0.015 15.056 14.930 1.00 74.10 H new ATOM 0 HG2 GLU A 49 0.375 13.912 12.497 1.00 11.34 H new ATOM 0 HG3 GLU A 49 0.766 15.574 12.103 1.00 11.34 H new ATOM 746 N GLU A 50 -2.534 13.905 15.788 1.00 20.21 N ATOM 747 CA GLU A 50 -2.837 12.871 16.769 1.00 54.13 C ATOM 748 C GLU A 50 -4.075 12.078 16.358 1.00 75.45 C ATOM 749 O GLU A 50 -4.203 10.895 16.680 1.00 11.44 O ATOM 750 CB GLU A 50 -3.053 13.493 18.151 1.00 4.40 C ATOM 751 CG GLU A 50 -1.793 14.091 18.752 1.00 54.00 C ATOM 752 CD GLU A 50 -1.887 14.256 20.257 1.00 3.12 C ATOM 753 OE1 GLU A 50 -3.016 14.204 20.789 1.00 75.44 O ATOM 754 OE2 GLU A 50 -0.833 14.440 20.901 1.00 22.10 O ATOM 0 H GLU A 50 -2.760 14.853 16.090 1.00 20.21 H new ATOM 0 HA GLU A 50 -1.987 12.190 16.814 1.00 54.13 H new ATOM 0 HB2 GLU A 50 -3.814 14.270 18.076 1.00 4.40 H new ATOM 0 HB3 GLU A 50 -3.442 12.731 18.827 1.00 4.40 H new ATOM 0 HG2 GLU A 50 -0.942 13.453 18.512 1.00 54.00 H new ATOM 0 HG3 GLU A 50 -1.602 15.062 18.295 1.00 54.00 H new ATOM 761 N LEU A 51 -4.983 12.735 15.646 1.00 24.24 N ATOM 762 CA LEU A 51 -6.210 12.093 15.190 1.00 45.14 C ATOM 763 C LEU A 51 -5.914 11.057 14.110 1.00 3.33 C ATOM 764 O LEU A 51 -6.638 10.073 13.964 1.00 1.01 O ATOM 765 CB LEU A 51 -7.189 13.139 14.655 1.00 3.43 C ATOM 766 CG LEU A 51 -8.649 12.702 14.551 1.00 42.24 C ATOM 767 CD1 LEU A 51 -9.240 12.477 15.935 1.00 2.51 C ATOM 768 CD2 LEU A 51 -9.462 13.734 13.784 1.00 42.32 C ATOM 0 H LEU A 51 -4.892 13.713 15.372 1.00 24.24 H new ATOM 0 HA LEU A 51 -6.662 11.584 16.041 1.00 45.14 H new ATOM 0 HB2 LEU A 51 -7.139 14.017 15.299 1.00 3.43 H new ATOM 0 HB3 LEU A 51 -6.853 13.450 13.666 1.00 3.43 H new ATOM 0 HG LEU A 51 -8.687 11.760 14.005 1.00 42.24 H new ATOM 0 HD11 LEU A 51 -10.280 12.166 15.840 1.00 2.51 H new ATOM 0 HD12 LEU A 51 -8.675 11.700 16.450 1.00 2.51 H new ATOM 0 HD13 LEU A 51 -9.189 13.403 16.508 1.00 2.51 H new ATOM 0 HD21 LEU A 51 -10.499 13.406 13.720 1.00 42.32 H new ATOM 0 HD22 LEU A 51 -9.416 14.692 14.302 1.00 42.32 H new ATOM 0 HD23 LEU A 51 -9.054 13.845 12.779 1.00 42.32 H new ATOM 780 N PHE A 52 -4.845 11.287 13.354 1.00 74.03 N ATOM 781 CA PHE A 52 -4.452 10.374 12.288 1.00 73.00 C ATOM 782 C PHE A 52 -4.231 8.965 12.831 1.00 51.53 C ATOM 783 O PHE A 52 -4.491 7.976 12.148 1.00 63.54 O ATOM 784 CB PHE A 52 -3.178 10.873 11.602 1.00 15.20 C ATOM 785 CG PHE A 52 -3.252 10.843 10.103 1.00 50.32 C ATOM 786 CD1 PHE A 52 -3.725 9.721 9.442 1.00 41.22 C ATOM 787 CD2 PHE A 52 -2.850 11.937 9.354 1.00 13.44 C ATOM 788 CE1 PHE A 52 -3.796 9.690 8.063 1.00 25.23 C ATOM 789 CE2 PHE A 52 -2.918 11.912 7.974 1.00 10.33 C ATOM 790 CZ PHE A 52 -3.390 10.787 7.328 1.00 4.12 C ATOM 0 H PHE A 52 -4.236 12.098 13.460 1.00 74.03 H new ATOM 0 HA PHE A 52 -5.261 10.341 11.558 1.00 73.00 H new ATOM 0 HB2 PHE A 52 -2.976 11.894 11.927 1.00 15.20 H new ATOM 0 HB3 PHE A 52 -2.336 10.262 11.928 1.00 15.20 H new ATOM 0 HD1 PHE A 52 -4.042 8.860 10.012 1.00 41.22 H new ATOM 0 HD2 PHE A 52 -2.479 12.819 9.854 1.00 13.44 H new ATOM 0 HE1 PHE A 52 -4.168 8.810 7.560 1.00 25.23 H new ATOM 0 HE2 PHE A 52 -2.602 12.772 7.402 1.00 10.33 H new ATOM 0 HZ PHE A 52 -3.442 10.765 6.249 1.00 4.12 H new ATOM 800 N LYS A 53 -3.749 8.883 14.067 1.00 45.24 N ATOM 801 CA LYS A 53 -3.493 7.596 14.705 1.00 4.45 C ATOM 802 C LYS A 53 -4.774 6.773 14.803 1.00 2.24 C ATOM 803 O LYS A 53 -4.755 5.555 14.627 1.00 20.25 O ATOM 804 CB LYS A 53 -2.901 7.805 16.101 1.00 5.05 C ATOM 805 CG LYS A 53 -2.133 6.604 16.621 1.00 72.45 C ATOM 806 CD LYS A 53 -0.633 6.846 16.598 1.00 63.15 C ATOM 807 CE LYS A 53 0.093 5.945 17.584 1.00 73.22 C ATOM 808 NZ LYS A 53 0.222 4.552 17.072 1.00 53.33 N ATOM 0 H LYS A 53 -3.528 9.692 14.647 1.00 45.24 H new ATOM 0 HA LYS A 53 -2.777 7.050 14.091 1.00 4.45 H new ATOM 0 HB2 LYS A 53 -2.237 8.669 16.079 1.00 5.05 H new ATOM 0 HB3 LYS A 53 -3.707 8.040 16.797 1.00 5.05 H new ATOM 0 HG2 LYS A 53 -2.451 6.382 17.640 1.00 72.45 H new ATOM 0 HG3 LYS A 53 -2.370 5.730 16.015 1.00 72.45 H new ATOM 0 HD2 LYS A 53 -0.250 6.669 15.593 1.00 63.15 H new ATOM 0 HD3 LYS A 53 -0.428 7.889 16.838 1.00 63.15 H new ATOM 0 HE2 LYS A 53 1.084 6.351 17.785 1.00 73.22 H new ATOM 0 HE3 LYS A 53 -0.446 5.935 18.532 1.00 73.22 H new ATOM 0 HZ1 LYS A 53 0.722 3.969 17.773 1.00 53.33 H new ATOM 0 HZ2 LYS A 53 -0.724 4.155 16.904 1.00 53.33 H new ATOM 0 HZ3 LYS A 53 0.758 4.558 16.181 1.00 53.33 H new ATOM 822 N LEU A 54 -5.884 7.447 15.083 1.00 61.52 N ATOM 823 CA LEU A 54 -7.175 6.778 15.202 1.00 21.34 C ATOM 824 C LEU A 54 -7.677 6.317 13.838 1.00 63.42 C ATOM 825 O LEU A 54 -8.091 5.168 13.673 1.00 4.44 O ATOM 826 CB LEU A 54 -8.200 7.714 15.846 1.00 21.53 C ATOM 827 CG LEU A 54 -9.188 7.063 16.813 1.00 72.23 C ATOM 828 CD1 LEU A 54 -8.924 7.524 18.238 1.00 23.33 C ATOM 829 CD2 LEU A 54 -10.620 7.378 16.405 1.00 51.11 C ATOM 0 H LEU A 54 -5.916 8.456 15.232 1.00 61.52 H new ATOM 0 HA LEU A 54 -7.045 5.901 15.836 1.00 21.34 H new ATOM 0 HB2 LEU A 54 -7.662 8.497 16.380 1.00 21.53 H new ATOM 0 HB3 LEU A 54 -8.767 8.201 15.052 1.00 21.53 H new ATOM 0 HG LEU A 54 -9.049 5.983 16.771 1.00 72.23 H new ATOM 0 HD11 LEU A 54 -9.637 7.050 18.912 1.00 23.33 H new ATOM 0 HD12 LEU A 54 -7.911 7.246 18.528 1.00 23.33 H new ATOM 0 HD13 LEU A 54 -9.034 8.607 18.296 1.00 23.33 H new ATOM 0 HD21 LEU A 54 -11.310 6.906 17.105 1.00 51.11 H new ATOM 0 HD22 LEU A 54 -10.773 8.457 16.417 1.00 51.11 H new ATOM 0 HD23 LEU A 54 -10.805 6.996 15.401 1.00 51.11 H new ATOM 841 N ALA A 55 -7.637 7.218 12.862 1.00 1.00 N ATOM 842 CA ALA A 55 -8.084 6.902 11.511 1.00 0.32 C ATOM 843 C ALA A 55 -7.207 5.825 10.880 1.00 14.52 C ATOM 844 O ALA A 55 -7.651 5.088 10.001 1.00 44.31 O ATOM 845 CB ALA A 55 -8.086 8.156 10.649 1.00 53.32 C ATOM 0 H ALA A 55 -7.299 8.173 12.982 1.00 1.00 H new ATOM 0 HA ALA A 55 -9.101 6.515 11.573 1.00 0.32 H new ATOM 0 HB1 ALA A 55 -8.422 7.905 9.643 1.00 53.32 H new ATOM 0 HB2 ALA A 55 -8.760 8.895 11.083 1.00 53.32 H new ATOM 0 HB3 ALA A 55 -7.078 8.567 10.603 1.00 53.32 H new ATOM 851 N GLU A 56 -5.960 5.743 11.335 1.00 51.14 N ATOM 852 CA GLU A 56 -5.021 4.757 10.812 1.00 40.43 C ATOM 853 C GLU A 56 -5.415 3.348 11.246 1.00 51.33 C ATOM 854 O GLU A 56 -5.323 2.399 10.468 1.00 44.22 O ATOM 855 CB GLU A 56 -3.601 5.071 11.287 1.00 51.12 C ATOM 856 CG GLU A 56 -2.522 4.353 10.493 1.00 52.43 C ATOM 857 CD GLU A 56 -1.336 5.245 10.182 1.00 55.14 C ATOM 858 OE1 GLU A 56 -0.203 4.873 10.552 1.00 24.34 O ATOM 859 OE2 GLU A 56 -1.542 6.313 9.570 1.00 4.14 O ATOM 0 H GLU A 56 -5.577 6.346 12.063 1.00 51.14 H new ATOM 0 HA GLU A 56 -5.051 4.805 9.723 1.00 40.43 H new ATOM 0 HB2 GLU A 56 -3.434 6.146 11.221 1.00 51.12 H new ATOM 0 HB3 GLU A 56 -3.510 4.798 12.338 1.00 51.12 H new ATOM 0 HG2 GLU A 56 -2.181 3.484 11.055 1.00 52.43 H new ATOM 0 HG3 GLU A 56 -2.948 3.983 9.560 1.00 52.43 H new ATOM 866 N GLU A 57 -5.853 3.220 12.495 1.00 21.11 N ATOM 867 CA GLU A 57 -6.259 1.926 13.033 1.00 1.32 C ATOM 868 C GLU A 57 -7.637 1.529 12.512 1.00 61.00 C ATOM 869 O GLU A 57 -7.949 0.344 12.393 1.00 40.10 O ATOM 870 CB GLU A 57 -6.272 1.967 14.562 1.00 14.13 C ATOM 871 CG GLU A 57 -5.537 0.804 15.208 1.00 21.01 C ATOM 872 CD GLU A 57 -5.420 0.952 16.713 1.00 51.11 C ATOM 873 OE1 GLU A 57 -6.276 1.638 17.309 1.00 35.32 O ATOM 874 OE2 GLU A 57 -4.473 0.380 17.294 1.00 3.43 O ATOM 0 H GLU A 57 -5.936 3.995 13.153 1.00 21.11 H new ATOM 0 HA GLU A 57 -5.536 1.180 12.703 1.00 1.32 H new ATOM 0 HB2 GLU A 57 -5.821 2.901 14.896 1.00 14.13 H new ATOM 0 HB3 GLU A 57 -7.306 1.970 14.908 1.00 14.13 H new ATOM 0 HG2 GLU A 57 -6.060 -0.124 14.977 1.00 21.01 H new ATOM 0 HG3 GLU A 57 -4.540 0.724 14.776 1.00 21.01 H new ATOM 881 N ARG A 58 -8.458 2.528 12.204 1.00 20.42 N ATOM 882 CA ARG A 58 -9.803 2.284 11.698 1.00 21.50 C ATOM 883 C ARG A 58 -9.791 2.121 10.181 1.00 43.21 C ATOM 884 O ARG A 58 -9.921 1.011 9.664 1.00 62.23 O ATOM 885 CB ARG A 58 -10.736 3.431 12.091 1.00 35.32 C ATOM 886 CG ARG A 58 -11.707 3.071 13.204 1.00 22.30 C ATOM 887 CD ARG A 58 -12.620 1.925 12.796 1.00 14.21 C ATOM 888 NE ARG A 58 -14.022 2.215 13.082 1.00 51.22 N ATOM 889 CZ ARG A 58 -14.778 3.008 12.330 1.00 20.05 C ATOM 890 NH1 ARG A 58 -14.267 3.587 11.252 1.00 51.53 N ATOM 891 NH2 ARG A 58 -16.046 3.223 12.655 1.00 34.30 N ATOM 0 H ARG A 58 -8.215 3.514 12.296 1.00 20.42 H new ATOM 0 HA ARG A 58 -10.169 1.359 12.143 1.00 21.50 H new ATOM 0 HB2 ARG A 58 -10.136 4.285 12.406 1.00 35.32 H new ATOM 0 HB3 ARG A 58 -11.302 3.745 11.214 1.00 35.32 H new ATOM 0 HG2 ARG A 58 -11.150 2.793 14.099 1.00 22.30 H new ATOM 0 HG3 ARG A 58 -12.308 3.943 13.461 1.00 22.30 H new ATOM 0 HD2 ARG A 58 -12.500 1.728 11.731 1.00 14.21 H new ATOM 0 HD3 ARG A 58 -12.322 1.019 13.323 1.00 14.21 H new ATOM 0 HE ARG A 58 -14.445 1.785 13.905 1.00 51.22 H new ATOM 0 HH11 ARG A 58 -13.292 3.424 10.999 1.00 51.53 H new ATOM 0 HH12 ARG A 58 -14.849 4.195 10.676 1.00 51.53 H new ATOM 0 HH21 ARG A 58 -16.442 2.779 13.483 1.00 34.30 H new ATOM 0 HH22 ARG A 58 -16.625 3.832 12.076 1.00 34.30 H new ATOM 905 N LEU A 59 -9.636 3.234 9.473 1.00 65.03 N ATOM 906 CA LEU A 59 -9.609 3.216 8.015 1.00 63.12 C ATOM 907 C LEU A 59 -8.576 2.217 7.502 1.00 24.52 C ATOM 908 O LEU A 59 -8.808 1.518 6.515 1.00 54.34 O ATOM 909 CB LEU A 59 -9.298 4.612 7.473 1.00 32.41 C ATOM 910 CG LEU A 59 -10.107 5.761 8.074 1.00 41.44 C ATOM 911 CD1 LEU A 59 -9.732 7.080 7.417 1.00 15.42 C ATOM 912 CD2 LEU A 59 -11.599 5.496 7.928 1.00 40.52 C ATOM 0 H LEU A 59 -9.527 4.161 9.885 1.00 65.03 H new ATOM 0 HA LEU A 59 -10.593 2.907 7.662 1.00 63.12 H new ATOM 0 HB2 LEU A 59 -8.240 4.815 7.636 1.00 32.41 H new ATOM 0 HB3 LEU A 59 -9.459 4.606 6.395 1.00 32.41 H new ATOM 0 HG LEU A 59 -9.872 5.828 9.136 1.00 41.44 H new ATOM 0 HD11 LEU A 59 -10.318 7.886 7.858 1.00 15.42 H new ATOM 0 HD12 LEU A 59 -8.671 7.276 7.573 1.00 15.42 H new ATOM 0 HD13 LEU A 59 -9.937 7.025 6.348 1.00 15.42 H new ATOM 0 HD21 LEU A 59 -12.160 6.324 8.361 1.00 40.52 H new ATOM 0 HD22 LEU A 59 -11.850 5.401 6.872 1.00 40.52 H new ATOM 0 HD23 LEU A 59 -11.857 4.573 8.446 1.00 40.52 H new ATOM 1049 N LEU B 4 -2.623 41.506 12.457 1.00 45.35 N ATOM 1050 CA LEU B 4 -2.316 40.090 12.285 1.00 54.45 C ATOM 1051 C LEU B 4 -3.114 39.237 13.268 1.00 1.02 C ATOM 1052 O LEU B 4 -3.492 38.107 12.959 1.00 71.21 O ATOM 1053 CB LEU B 4 -0.819 39.846 12.480 1.00 62.44 C ATOM 1054 CG LEU B 4 -0.247 40.231 13.845 1.00 3.30 C ATOM 1055 CD1 LEU B 4 -0.104 39.003 14.730 1.00 13.04 C ATOM 1056 CD2 LEU B 4 1.093 40.933 13.683 1.00 24.22 C ATOM 0 HA LEU B 4 -2.596 39.803 11.272 1.00 54.45 H new ATOM 0 HB2 LEU B 4 -0.619 38.788 12.310 1.00 62.44 H new ATOM 0 HB3 LEU B 4 -0.278 40.400 11.713 1.00 62.44 H new ATOM 0 HG LEU B 4 -0.940 40.921 14.326 1.00 3.30 H new ATOM 0 HD11 LEU B 4 0.304 39.297 15.697 1.00 13.04 H new ATOM 0 HD12 LEU B 4 -1.081 38.542 14.874 1.00 13.04 H new ATOM 0 HD13 LEU B 4 0.568 38.288 14.255 1.00 13.04 H new ATOM 0 HD21 LEU B 4 1.485 41.200 14.664 1.00 24.22 H new ATOM 0 HD22 LEU B 4 1.794 40.267 13.181 1.00 24.22 H new ATOM 0 HD23 LEU B 4 0.961 41.836 13.087 1.00 24.22 H new ATOM 1068 N ARG B 5 -3.368 39.787 14.450 1.00 51.54 N ATOM 1069 CA ARG B 5 -4.122 39.078 15.477 1.00 53.12 C ATOM 1070 C ARG B 5 -5.591 38.953 15.085 1.00 65.23 C ATOM 1071 O ARG B 5 -6.198 37.895 15.247 1.00 43.55 O ATOM 1072 CB ARG B 5 -4.002 39.801 16.820 1.00 1.22 C ATOM 1073 CG ARG B 5 -3.051 39.125 17.793 1.00 75.12 C ATOM 1074 CD ARG B 5 -2.366 40.137 18.698 1.00 3.41 C ATOM 1075 NE ARG B 5 -3.305 40.774 19.617 1.00 24.24 N ATOM 1076 CZ ARG B 5 -2.934 41.582 20.603 1.00 4.50 C ATOM 1077 NH1 ARG B 5 -1.651 41.851 20.797 1.00 3.44 N ATOM 1078 NH2 ARG B 5 -3.849 42.124 21.398 1.00 2.15 N ATOM 0 H ARG B 5 -3.063 40.722 14.721 1.00 51.54 H new ATOM 0 HA ARG B 5 -3.702 38.077 15.572 1.00 53.12 H new ATOM 0 HB2 ARG B 5 -3.663 40.822 16.644 1.00 1.22 H new ATOM 0 HB3 ARG B 5 -4.989 39.867 17.277 1.00 1.22 H new ATOM 0 HG2 ARG B 5 -3.601 38.406 18.400 1.00 75.12 H new ATOM 0 HG3 ARG B 5 -2.299 38.564 17.238 1.00 75.12 H new ATOM 0 HD2 ARG B 5 -1.581 39.640 19.268 1.00 3.41 H new ATOM 0 HD3 ARG B 5 -1.882 40.900 18.088 1.00 3.41 H new ATOM 0 HE ARG B 5 -4.300 40.588 19.495 1.00 24.24 H new ATOM 0 HH11 ARG B 5 -0.945 41.437 20.188 1.00 3.44 H new ATOM 0 HH12 ARG B 5 -1.369 42.472 21.555 1.00 3.44 H new ATOM 0 HH21 ARG B 5 -4.838 41.920 21.251 1.00 2.15 H new ATOM 0 HH22 ARG B 5 -3.563 42.745 22.155 1.00 2.15 H new ATOM 1092 N GLU B 6 -6.155 40.040 14.567 1.00 72.23 N ATOM 1093 CA GLU B 6 -7.553 40.051 14.152 1.00 12.12 C ATOM 1094 C GLU B 6 -7.812 38.993 13.083 1.00 14.42 C ATOM 1095 O GLU B 6 -8.806 38.270 13.139 1.00 2.21 O ATOM 1096 CB GLU B 6 -7.940 41.434 13.622 1.00 74.41 C ATOM 1097 CG GLU B 6 -8.011 42.501 14.702 1.00 71.54 C ATOM 1098 CD GLU B 6 -9.274 43.335 14.614 1.00 45.10 C ATOM 1099 OE1 GLU B 6 -10.318 42.888 15.134 1.00 3.22 O ATOM 1100 OE2 GLU B 6 -9.219 44.436 14.025 1.00 50.03 O ATOM 0 H GLU B 6 -5.666 40.924 14.425 1.00 72.23 H new ATOM 0 HA GLU B 6 -8.166 39.819 15.023 1.00 12.12 H new ATOM 0 HB2 GLU B 6 -7.216 41.740 12.867 1.00 74.41 H new ATOM 0 HB3 GLU B 6 -8.908 41.366 13.126 1.00 74.41 H new ATOM 0 HG2 GLU B 6 -7.961 42.025 15.682 1.00 71.54 H new ATOM 0 HG3 GLU B 6 -7.142 43.154 14.620 1.00 71.54 H new ATOM 1107 N GLU B 7 -6.910 38.911 12.110 1.00 34.11 N ATOM 1108 CA GLU B 7 -7.041 37.943 11.028 1.00 63.02 C ATOM 1109 C GLU B 7 -6.629 36.549 11.490 1.00 74.12 C ATOM 1110 O GLU B 7 -7.187 35.545 11.047 1.00 13.45 O ATOM 1111 CB GLU B 7 -6.191 38.367 9.828 1.00 12.23 C ATOM 1112 CG GLU B 7 -4.711 38.497 10.148 1.00 42.01 C ATOM 1113 CD GLU B 7 -3.895 38.959 8.956 1.00 62.21 C ATOM 1114 OE1 GLU B 7 -4.494 39.206 7.888 1.00 24.10 O ATOM 1115 OE2 GLU B 7 -2.659 39.074 9.090 1.00 53.33 O ATOM 0 H GLU B 7 -6.081 39.503 12.049 1.00 34.11 H new ATOM 0 HA GLU B 7 -8.089 37.912 10.729 1.00 63.02 H new ATOM 0 HB2 GLU B 7 -6.319 37.639 9.027 1.00 12.23 H new ATOM 0 HB3 GLU B 7 -6.558 39.322 9.452 1.00 12.23 H new ATOM 0 HG2 GLU B 7 -4.581 39.203 10.968 1.00 42.01 H new ATOM 0 HG3 GLU B 7 -4.332 37.535 10.492 1.00 42.01 H new ATOM 1122 N ALA B 8 -5.647 36.496 12.385 1.00 21.21 N ATOM 1123 CA ALA B 8 -5.160 35.226 12.910 1.00 23.22 C ATOM 1124 C ALA B 8 -6.310 34.371 13.432 1.00 11.04 C ATOM 1125 O ALA B 8 -6.424 33.194 13.093 1.00 24.20 O ATOM 1126 CB ALA B 8 -4.136 35.467 14.008 1.00 51.11 C ATOM 0 H ALA B 8 -5.174 37.317 12.761 1.00 21.21 H new ATOM 0 HA ALA B 8 -4.680 34.684 12.095 1.00 23.22 H new ATOM 0 HB1 ALA B 8 -3.781 34.510 14.391 1.00 51.11 H new ATOM 0 HB2 ALA B 8 -3.295 36.031 13.604 1.00 51.11 H new ATOM 0 HB3 ALA B 8 -4.597 36.033 14.817 1.00 51.11 H new ATOM 1132 N ALA B 9 -7.157 34.971 14.261 1.00 43.23 N ATOM 1133 CA ALA B 9 -8.298 34.265 14.830 1.00 73.12 C ATOM 1134 C ALA B 9 -9.247 33.784 13.737 1.00 21.12 C ATOM 1135 O ALA B 9 -9.912 32.758 13.885 1.00 15.41 O ATOM 1136 CB ALA B 9 -9.035 35.160 15.816 1.00 62.43 C ATOM 0 H ALA B 9 -7.075 35.945 14.554 1.00 43.23 H new ATOM 0 HA ALA B 9 -7.924 33.390 15.361 1.00 73.12 H new ATOM 0 HB1 ALA B 9 -9.885 34.620 16.233 1.00 62.43 H new ATOM 0 HB2 ALA B 9 -8.359 35.449 16.620 1.00 62.43 H new ATOM 0 HB3 ALA B 9 -9.390 36.053 15.302 1.00 62.43 H new ATOM 1142 N LYS B 10 -9.305 34.531 12.640 1.00 41.21 N ATOM 1143 CA LYS B 10 -10.172 34.181 11.521 1.00 1.32 C ATOM 1144 C LYS B 10 -9.601 33.004 10.738 1.00 62.44 C ATOM 1145 O LYS B 10 -10.346 32.179 10.206 1.00 24.54 O ATOM 1146 CB LYS B 10 -10.352 35.385 10.593 1.00 53.05 C ATOM 1147 CG LYS B 10 -11.162 35.075 9.346 1.00 0.34 C ATOM 1148 CD LYS B 10 -10.273 34.952 8.120 1.00 21.41 C ATOM 1149 CE LYS B 10 -11.093 34.785 6.851 1.00 42.13 C ATOM 1150 NZ LYS B 10 -10.244 34.417 5.685 1.00 32.41 N ATOM 0 H LYS B 10 -8.762 35.383 12.502 1.00 41.21 H new ATOM 0 HA LYS B 10 -11.143 33.891 11.923 1.00 1.32 H new ATOM 0 HB2 LYS B 10 -10.842 36.188 11.144 1.00 53.05 H new ATOM 0 HB3 LYS B 10 -9.370 35.754 10.296 1.00 53.05 H new ATOM 0 HG2 LYS B 10 -11.714 34.146 9.491 1.00 0.34 H new ATOM 0 HG3 LYS B 10 -11.899 35.862 9.185 1.00 0.34 H new ATOM 0 HD2 LYS B 10 -9.645 35.839 8.034 1.00 21.41 H new ATOM 0 HD3 LYS B 10 -9.605 34.099 8.238 1.00 21.41 H new ATOM 0 HE2 LYS B 10 -11.849 34.016 7.006 1.00 42.13 H new ATOM 0 HE3 LYS B 10 -11.622 35.713 6.636 1.00 42.13 H new ATOM 0 HZ1 LYS B 10 -10.841 34.313 4.840 1.00 32.41 H new ATOM 0 HZ2 LYS B 10 -9.538 35.163 5.520 1.00 32.41 H new ATOM 0 HZ3 LYS B 10 -9.759 33.518 5.879 1.00 32.41 H new ATOM 1164 N LEU B 11 -8.276 32.929 10.672 1.00 1.01 N ATOM 1165 CA LEU B 11 -7.605 31.850 9.955 1.00 12.42 C ATOM 1166 C LEU B 11 -8.006 30.491 10.518 1.00 71.31 C ATOM 1167 O LEU B 11 -8.053 29.496 9.793 1.00 45.04 O ATOM 1168 CB LEU B 11 -6.087 32.023 10.039 1.00 73.24 C ATOM 1169 CG LEU B 11 -5.423 32.710 8.847 1.00 61.31 C ATOM 1170 CD1 LEU B 11 -4.146 33.415 9.280 1.00 42.41 C ATOM 1171 CD2 LEU B 11 -5.130 31.702 7.745 1.00 41.14 C ATOM 0 H LEU B 11 -7.645 33.603 11.106 1.00 1.01 H new ATOM 0 HA LEU B 11 -7.912 31.894 8.910 1.00 12.42 H new ATOM 0 HB2 LEU B 11 -5.856 32.595 10.937 1.00 73.24 H new ATOM 0 HB3 LEU B 11 -5.636 31.039 10.163 1.00 73.24 H new ATOM 0 HG LEU B 11 -6.112 33.458 8.454 1.00 61.31 H new ATOM 0 HD11 LEU B 11 -3.687 33.899 8.418 1.00 42.41 H new ATOM 0 HD12 LEU B 11 -4.383 34.166 10.034 1.00 42.41 H new ATOM 0 HD13 LEU B 11 -3.452 32.686 9.699 1.00 42.41 H new ATOM 0 HD21 LEU B 11 -4.657 32.209 6.904 1.00 41.14 H new ATOM 0 HD22 LEU B 11 -4.461 30.931 8.126 1.00 41.14 H new ATOM 0 HD23 LEU B 11 -6.062 31.243 7.414 1.00 41.14 H new ATOM 1183 N PHE B 12 -8.296 30.454 11.814 1.00 33.41 N ATOM 1184 CA PHE B 12 -8.694 29.216 12.475 1.00 45.31 C ATOM 1185 C PHE B 12 -9.933 28.622 11.812 1.00 63.23 C ATOM 1186 O PHE B 12 -10.122 27.405 11.805 1.00 12.20 O ATOM 1187 CB PHE B 12 -8.967 29.470 13.958 1.00 51.31 C ATOM 1188 CG PHE B 12 -7.737 29.396 14.817 1.00 5.14 C ATOM 1189 CD1 PHE B 12 -6.587 30.083 14.461 1.00 14.31 C ATOM 1190 CD2 PHE B 12 -7.729 28.640 15.976 1.00 72.32 C ATOM 1191 CE1 PHE B 12 -5.453 30.017 15.248 1.00 15.24 C ATOM 1192 CE2 PHE B 12 -6.598 28.570 16.768 1.00 65.02 C ATOM 1193 CZ PHE B 12 -5.458 29.259 16.403 1.00 4.24 C ATOM 0 H PHE B 12 -8.263 31.268 12.428 1.00 33.41 H new ATOM 0 HA PHE B 12 -7.875 28.503 12.381 1.00 45.31 H new ATOM 0 HB2 PHE B 12 -9.421 30.454 14.072 1.00 51.31 H new ATOM 0 HB3 PHE B 12 -9.694 28.741 14.315 1.00 51.31 H new ATOM 0 HD1 PHE B 12 -6.577 30.676 13.559 1.00 14.31 H new ATOM 0 HD2 PHE B 12 -8.617 28.098 16.265 1.00 72.32 H new ATOM 0 HE1 PHE B 12 -4.563 30.558 14.960 1.00 15.24 H new ATOM 0 HE2 PHE B 12 -6.606 27.977 17.671 1.00 65.02 H new ATOM 0 HZ PHE B 12 -4.573 29.205 17.019 1.00 4.24 H new ATOM 1203 N GLU B 13 -10.774 29.488 11.257 1.00 45.15 N ATOM 1204 CA GLU B 13 -11.995 29.048 10.593 1.00 40.52 C ATOM 1205 C GLU B 13 -11.676 28.313 9.295 1.00 31.15 C ATOM 1206 O GLU B 13 -12.402 27.409 8.886 1.00 43.34 O ATOM 1207 CB GLU B 13 -12.904 30.245 10.304 1.00 41.15 C ATOM 1208 CG GLU B 13 -14.386 29.924 10.413 1.00 23.03 C ATOM 1209 CD GLU B 13 -15.227 30.708 9.425 1.00 43.41 C ATOM 1210 OE1 GLU B 13 -16.374 30.291 9.160 1.00 75.22 O ATOM 1211 OE2 GLU B 13 -14.738 31.738 8.914 1.00 32.02 O ATOM 0 H GLU B 13 -10.632 30.498 11.254 1.00 45.15 H new ATOM 0 HA GLU B 13 -12.513 28.360 11.261 1.00 40.52 H new ATOM 0 HB2 GLU B 13 -12.663 31.050 10.999 1.00 41.15 H new ATOM 0 HB3 GLU B 13 -12.694 30.616 9.301 1.00 41.15 H new ATOM 0 HG2 GLU B 13 -14.536 28.857 10.246 1.00 23.03 H new ATOM 0 HG3 GLU B 13 -14.727 30.139 11.426 1.00 23.03 H new ATOM 1218 N GLU B 14 -10.581 28.710 8.652 1.00 73.53 N ATOM 1219 CA GLU B 14 -10.165 28.090 7.399 1.00 10.10 C ATOM 1220 C GLU B 14 -10.089 26.573 7.541 1.00 54.44 C ATOM 1221 O GLU B 14 -10.560 25.834 6.676 1.00 75.54 O ATOM 1222 CB GLU B 14 -8.807 28.640 6.959 1.00 41.13 C ATOM 1223 CG GLU B 14 -8.803 30.143 6.732 1.00 63.44 C ATOM 1224 CD GLU B 14 -9.970 30.607 5.881 1.00 30.32 C ATOM 1225 OE1 GLU B 14 -9.944 30.361 4.657 1.00 45.21 O ATOM 1226 OE2 GLU B 14 -10.907 31.214 6.439 1.00 40.10 O ATOM 0 H GLU B 14 -9.967 29.457 8.978 1.00 73.53 H new ATOM 0 HA GLU B 14 -10.910 28.330 6.640 1.00 10.10 H new ATOM 0 HB2 GLU B 14 -8.062 28.393 7.716 1.00 41.13 H new ATOM 0 HB3 GLU B 14 -8.503 28.141 6.039 1.00 41.13 H new ATOM 0 HG2 GLU B 14 -8.835 30.652 7.695 1.00 63.44 H new ATOM 0 HG3 GLU B 14 -7.869 30.432 6.250 1.00 63.44 H new ATOM 1233 N TRP B 15 -9.495 26.116 8.638 1.00 11.30 N ATOM 1234 CA TRP B 15 -9.357 24.687 8.894 1.00 71.12 C ATOM 1235 C TRP B 15 -10.718 23.999 8.886 1.00 74.12 C ATOM 1236 O TRP B 15 -10.903 22.975 8.230 1.00 61.35 O ATOM 1237 CB TRP B 15 -8.661 24.454 10.236 1.00 43.12 C ATOM 1238 CG TRP B 15 -7.403 25.252 10.399 1.00 60.43 C ATOM 1239 CD1 TRP B 15 -6.526 25.610 9.416 1.00 64.51 C ATOM 1240 CD2 TRP B 15 -6.880 25.787 11.619 1.00 31.20 C ATOM 1241 NE1 TRP B 15 -5.490 26.336 9.951 1.00 22.11 N ATOM 1242 CE2 TRP B 15 -5.685 26.460 11.301 1.00 20.54 C ATOM 1243 CE3 TRP B 15 -7.307 25.767 12.950 1.00 24.44 C ATOM 1244 CZ2 TRP B 15 -4.912 27.103 12.265 1.00 61.02 C ATOM 1245 CZ3 TRP B 15 -6.539 26.405 13.906 1.00 44.43 C ATOM 1246 CH2 TRP B 15 -5.354 27.067 13.559 1.00 72.04 C ATOM 0 H TRP B 15 -9.101 26.714 9.364 1.00 11.30 H new ATOM 0 HA TRP B 15 -8.749 24.257 8.098 1.00 71.12 H new ATOM 0 HB2 TRP B 15 -9.349 24.706 11.043 1.00 43.12 H new ATOM 0 HB3 TRP B 15 -8.426 23.394 10.336 1.00 43.12 H new ATOM 0 HD1 TRP B 15 -6.631 25.359 8.371 1.00 64.51 H new ATOM 0 HE1 TRP B 15 -4.703 26.720 9.428 1.00 22.11 H new ATOM 0 HE3 TRP B 15 -8.221 25.262 13.226 1.00 24.44 H new ATOM 0 HZ2 TRP B 15 -3.997 27.612 12.000 1.00 61.02 H new ATOM 0 HZ3 TRP B 15 -6.858 26.393 14.938 1.00 44.43 H new ATOM 0 HH2 TRP B 15 -4.778 27.559 14.329 1.00 72.04 H new ATOM 1257 N LYS B 16 -11.668 24.567 9.621 1.00 2.24 N ATOM 1258 CA LYS B 16 -13.013 24.011 9.698 1.00 60.24 C ATOM 1259 C LYS B 16 -13.735 24.145 8.361 1.00 32.03 C ATOM 1260 O LYS B 16 -14.632 23.362 8.047 1.00 2.44 O ATOM 1261 CB LYS B 16 -13.816 24.711 10.796 1.00 32.32 C ATOM 1262 CG LYS B 16 -15.269 24.273 10.861 1.00 74.31 C ATOM 1263 CD LYS B 16 -16.170 25.212 10.078 1.00 14.41 C ATOM 1264 CE LYS B 16 -17.302 25.748 10.943 1.00 31.32 C ATOM 1265 NZ LYS B 16 -16.790 26.451 12.153 1.00 63.24 N ATOM 0 H LYS B 16 -11.530 25.414 10.173 1.00 2.24 H new ATOM 0 HA LYS B 16 -12.927 22.952 9.940 1.00 60.24 H new ATOM 0 HB2 LYS B 16 -13.344 24.518 11.759 1.00 32.32 H new ATOM 0 HB3 LYS B 16 -13.777 25.788 10.632 1.00 32.32 H new ATOM 0 HG2 LYS B 16 -15.363 23.262 10.464 1.00 74.31 H new ATOM 0 HG3 LYS B 16 -15.593 24.239 11.901 1.00 74.31 H new ATOM 0 HD2 LYS B 16 -15.582 26.044 9.690 1.00 14.41 H new ATOM 0 HD3 LYS B 16 -16.585 24.687 9.218 1.00 14.41 H new ATOM 0 HE2 LYS B 16 -17.914 26.433 10.357 1.00 31.32 H new ATOM 0 HE3 LYS B 16 -17.948 24.924 11.247 1.00 31.32 H new ATOM 0 HZ1 LYS B 16 -17.467 27.187 12.439 1.00 63.24 H new ATOM 0 HZ2 LYS B 16 -16.673 25.768 12.928 1.00 63.24 H new ATOM 0 HZ3 LYS B 16 -15.872 26.890 11.937 1.00 63.24 H new ATOM 1279 N LYS B 17 -13.336 25.140 7.576 1.00 40.41 N ATOM 1280 CA LYS B 17 -13.943 25.376 6.271 1.00 10.02 C ATOM 1281 C LYS B 17 -13.715 24.189 5.342 1.00 55.01 C ATOM 1282 O LYS B 17 -14.638 23.726 4.671 1.00 30.24 O ATOM 1283 CB LYS B 17 -13.370 26.648 5.642 1.00 32.54 C ATOM 1284 CG LYS B 17 -14.426 27.557 5.038 1.00 22.13 C ATOM 1285 CD LYS B 17 -14.033 29.021 5.153 1.00 52.34 C ATOM 1286 CE LYS B 17 -14.938 29.908 4.312 1.00 11.24 C ATOM 1287 NZ LYS B 17 -14.475 29.993 2.900 1.00 41.13 N ATOM 0 H LYS B 17 -12.595 25.796 7.821 1.00 40.41 H new ATOM 0 HA LYS B 17 -15.016 25.501 6.414 1.00 10.02 H new ATOM 0 HB2 LYS B 17 -12.817 27.201 6.401 1.00 32.54 H new ATOM 0 HB3 LYS B 17 -12.656 26.370 4.867 1.00 32.54 H new ATOM 0 HG2 LYS B 17 -14.572 27.300 3.989 1.00 22.13 H new ATOM 0 HG3 LYS B 17 -15.379 27.394 5.542 1.00 22.13 H new ATOM 0 HD2 LYS B 17 -14.085 29.332 6.196 1.00 52.34 H new ATOM 0 HD3 LYS B 17 -12.999 29.147 4.833 1.00 52.34 H new ATOM 0 HE2 LYS B 17 -15.955 29.517 4.338 1.00 11.24 H new ATOM 0 HE3 LYS B 17 -14.970 30.908 4.744 1.00 11.24 H new ATOM 0 HZ1 LYS B 17 -15.118 30.607 2.360 1.00 41.13 H new ATOM 0 HZ2 LYS B 17 -13.514 30.390 2.873 1.00 41.13 H new ATOM 0 HZ3 LYS B 17 -14.469 29.042 2.479 1.00 41.13 H new ATOM 1301 N LEU B 18 -12.481 23.699 5.309 1.00 33.41 N ATOM 1302 CA LEU B 18 -12.130 22.562 4.463 1.00 44.53 C ATOM 1303 C LEU B 18 -12.660 21.260 5.054 1.00 72.13 C ATOM 1304 O LEU B 18 -13.015 20.335 4.325 1.00 42.23 O ATOM 1305 CB LEU B 18 -10.614 22.478 4.290 1.00 25.43 C ATOM 1306 CG LEU B 18 -10.016 23.336 3.173 1.00 0.40 C ATOM 1307 CD1 LEU B 18 -10.529 22.879 1.817 1.00 70.54 C ATOM 1308 CD2 LEU B 18 -10.340 24.806 3.399 1.00 54.41 C ATOM 0 H LEU B 18 -11.706 24.071 5.858 1.00 33.41 H new ATOM 0 HA LEU B 18 -12.592 22.711 3.487 1.00 44.53 H new ATOM 0 HB2 LEU B 18 -10.145 22.764 5.231 1.00 25.43 H new ATOM 0 HB3 LEU B 18 -10.347 21.438 4.104 1.00 25.43 H new ATOM 0 HG LEU B 18 -8.933 23.216 3.189 1.00 0.40 H new ATOM 0 HD11 LEU B 18 -10.093 23.501 1.035 1.00 70.54 H new ATOM 0 HD12 LEU B 18 -10.247 21.839 1.653 1.00 70.54 H new ATOM 0 HD13 LEU B 18 -11.615 22.969 1.789 1.00 70.54 H new ATOM 0 HD21 LEU B 18 -9.907 25.402 2.595 1.00 54.41 H new ATOM 0 HD22 LEU B 18 -11.421 24.943 3.410 1.00 54.41 H new ATOM 0 HD23 LEU B 18 -9.924 25.128 4.354 1.00 54.41 H new ATOM 1320 N ALA B 19 -12.711 21.196 6.381 1.00 11.31 N ATOM 1321 CA ALA B 19 -13.200 20.009 7.070 1.00 40.23 C ATOM 1322 C ALA B 19 -14.677 19.772 6.774 1.00 70.12 C ATOM 1323 O ALA B 19 -15.101 18.638 6.553 1.00 71.22 O ATOM 1324 CB ALA B 19 -12.975 20.138 8.570 1.00 5.25 C ATOM 0 H ALA B 19 -12.419 21.953 7.000 1.00 11.31 H new ATOM 0 HA ALA B 19 -12.640 19.150 6.702 1.00 40.23 H new ATOM 0 HB1 ALA B 19 -13.345 19.244 9.072 1.00 5.25 H new ATOM 0 HB2 ALA B 19 -11.909 20.251 8.770 1.00 5.25 H new ATOM 0 HB3 ALA B 19 -13.509 21.011 8.944 1.00 5.25 H new ATOM 1330 N GLU B 20 -15.456 20.849 6.772 1.00 1.42 N ATOM 1331 CA GLU B 20 -16.886 20.756 6.505 1.00 4.52 C ATOM 1332 C GLU B 20 -17.143 20.300 5.072 1.00 65.22 C ATOM 1333 O GLU B 20 -18.009 19.462 4.823 1.00 64.42 O ATOM 1334 CB GLU B 20 -17.562 22.108 6.751 1.00 64.52 C ATOM 1335 CG GLU B 20 -19.079 22.050 6.683 1.00 4.51 C ATOM 1336 CD GLU B 20 -19.736 22.441 7.993 1.00 44.23 C ATOM 1337 OE1 GLU B 20 -20.288 23.559 8.068 1.00 33.44 O ATOM 1338 OE2 GLU B 20 -19.699 21.630 8.941 1.00 31.50 O ATOM 0 H GLU B 20 -15.121 21.795 6.952 1.00 1.42 H new ATOM 0 HA GLU B 20 -17.310 20.017 7.185 1.00 4.52 H new ATOM 0 HB2 GLU B 20 -17.264 22.481 7.731 1.00 64.52 H new ATOM 0 HB3 GLU B 20 -17.201 22.825 6.014 1.00 64.52 H new ATOM 0 HG2 GLU B 20 -19.429 22.714 5.893 1.00 4.51 H new ATOM 0 HG3 GLU B 20 -19.389 21.041 6.412 1.00 4.51 H new ATOM 1345 N GLU B 21 -16.385 20.858 4.134 1.00 23.25 N ATOM 1346 CA GLU B 21 -16.532 20.509 2.726 1.00 23.12 C ATOM 1347 C GLU B 21 -16.126 19.058 2.480 1.00 3.45 C ATOM 1348 O GLU B 21 -16.661 18.396 1.591 1.00 10.53 O ATOM 1349 CB GLU B 21 -15.686 21.442 1.856 1.00 65.41 C ATOM 1350 CG GLU B 21 -16.487 22.550 1.194 1.00 0.24 C ATOM 1351 CD GLU B 21 -15.606 23.626 0.590 1.00 23.32 C ATOM 1352 OE1 GLU B 21 -15.494 23.671 -0.654 1.00 43.42 O ATOM 1353 OE2 GLU B 21 -15.028 24.422 1.359 1.00 24.20 O ATOM 0 H GLU B 21 -15.663 21.553 4.323 1.00 23.25 H new ATOM 0 HA GLU B 21 -17.582 20.625 2.456 1.00 23.12 H new ATOM 0 HB2 GLU B 21 -14.904 21.888 2.470 1.00 65.41 H new ATOM 0 HB3 GLU B 21 -15.189 20.854 1.085 1.00 65.41 H new ATOM 0 HG2 GLU B 21 -17.117 22.122 0.414 1.00 0.24 H new ATOM 0 HG3 GLU B 21 -17.153 23.001 1.930 1.00 0.24 H new ATOM 1360 N ALA B 22 -15.177 18.573 3.273 1.00 0.12 N ATOM 1361 CA ALA B 22 -14.700 17.202 3.142 1.00 40.53 C ATOM 1362 C ALA B 22 -15.772 16.206 3.571 1.00 34.42 C ATOM 1363 O ALA B 22 -15.839 15.090 3.055 1.00 4.22 O ATOM 1364 CB ALA B 22 -13.434 17.003 3.961 1.00 15.12 C ATOM 0 H ALA B 22 -14.723 19.109 4.013 1.00 0.12 H new ATOM 0 HA ALA B 22 -14.472 17.021 2.092 1.00 40.53 H new ATOM 0 HB1 ALA B 22 -13.089 15.975 3.854 1.00 15.12 H new ATOM 0 HB2 ALA B 22 -12.660 17.684 3.606 1.00 15.12 H new ATOM 0 HB3 ALA B 22 -13.644 17.208 5.011 1.00 15.12 H new ATOM 1370 N ALA B 23 -16.608 16.614 4.521 1.00 22.03 N ATOM 1371 CA ALA B 23 -17.677 15.757 5.018 1.00 32.11 C ATOM 1372 C ALA B 23 -18.533 15.227 3.873 1.00 55.42 C ATOM 1373 O ALA B 23 -19.061 14.116 3.941 1.00 20.03 O ATOM 1374 CB ALA B 23 -18.539 16.515 6.017 1.00 33.14 C ATOM 0 H ALA B 23 -16.565 17.533 4.962 1.00 22.03 H new ATOM 0 HA ALA B 23 -17.221 14.904 5.521 1.00 32.11 H new ATOM 0 HB1 ALA B 23 -19.334 15.863 6.380 1.00 33.14 H new ATOM 0 HB2 ALA B 23 -17.924 16.839 6.856 1.00 33.14 H new ATOM 0 HB3 ALA B 23 -18.978 17.386 5.531 1.00 33.14 H new ATOM 1380 N LYS B 24 -18.668 16.027 2.821 1.00 14.25 N ATOM 1381 CA LYS B 24 -19.460 15.640 1.660 1.00 53.12 C ATOM 1382 C LYS B 24 -18.731 14.585 0.834 1.00 44.42 C ATOM 1383 O LYS B 24 -19.359 13.717 0.225 1.00 21.21 O ATOM 1384 CB LYS B 24 -19.764 16.863 0.793 1.00 72.24 C ATOM 1385 CG LYS B 24 -21.136 16.822 0.143 1.00 41.03 C ATOM 1386 CD LYS B 24 -21.330 17.977 -0.825 1.00 23.44 C ATOM 1387 CE LYS B 24 -22.786 18.409 -0.894 1.00 12.21 C ATOM 1388 NZ LYS B 24 -23.299 18.414 -2.292 1.00 22.54 N ATOM 0 H LYS B 24 -18.238 16.949 2.749 1.00 14.25 H new ATOM 0 HA LYS B 24 -20.398 15.214 2.016 1.00 53.12 H new ATOM 0 HB2 LYS B 24 -19.689 17.761 1.407 1.00 72.24 H new ATOM 0 HB3 LYS B 24 -19.005 16.944 0.015 1.00 72.24 H new ATOM 0 HG2 LYS B 24 -21.260 15.878 -0.387 1.00 41.03 H new ATOM 0 HG3 LYS B 24 -21.906 16.859 0.914 1.00 41.03 H new ATOM 0 HD2 LYS B 24 -20.714 18.821 -0.514 1.00 23.44 H new ATOM 0 HD3 LYS B 24 -20.990 17.682 -1.818 1.00 23.44 H new ATOM 0 HE2 LYS B 24 -23.393 17.737 -0.287 1.00 12.21 H new ATOM 0 HE3 LYS B 24 -22.889 19.406 -0.466 1.00 12.21 H new ATOM 0 HZ1 LYS B 24 -24.295 18.714 -2.295 1.00 22.54 H new ATOM 0 HZ2 LYS B 24 -22.736 19.074 -2.866 1.00 22.54 H new ATOM 0 HZ3 LYS B 24 -23.225 17.457 -2.693 1.00 22.54 H new ATOM 1402 N LEU B 25 -17.406 14.664 0.817 1.00 3.40 N ATOM 1403 CA LEU B 25 -16.592 13.715 0.065 1.00 74.42 C ATOM 1404 C LEU B 25 -16.546 12.362 0.767 1.00 51.11 C ATOM 1405 O LEU B 25 -16.462 11.317 0.121 1.00 23.21 O ATOM 1406 CB LEU B 25 -15.173 14.258 -0.113 1.00 11.02 C ATOM 1407 CG LEU B 25 -14.945 15.153 -1.332 1.00 71.14 C ATOM 1408 CD1 LEU B 25 -14.658 16.582 -0.899 1.00 24.02 C ATOM 1409 CD2 LEU B 25 -13.806 14.612 -2.184 1.00 23.13 C ATOM 0 H LEU B 25 -16.871 15.376 1.315 1.00 3.40 H new ATOM 0 HA LEU B 25 -17.048 13.580 -0.916 1.00 74.42 H new ATOM 0 HB2 LEU B 25 -14.906 14.821 0.781 1.00 11.02 H new ATOM 0 HB3 LEU B 25 -14.487 13.413 -0.174 1.00 11.02 H new ATOM 0 HG LEU B 25 -15.854 15.154 -1.934 1.00 71.14 H new ATOM 0 HD11 LEU B 25 -14.498 17.204 -1.780 1.00 24.02 H new ATOM 0 HD12 LEU B 25 -15.505 16.967 -0.331 1.00 24.02 H new ATOM 0 HD13 LEU B 25 -13.764 16.601 -0.275 1.00 24.02 H new ATOM 0 HD21 LEU B 25 -13.657 15.261 -3.047 1.00 23.13 H new ATOM 0 HD22 LEU B 25 -12.892 14.581 -1.592 1.00 23.13 H new ATOM 0 HD23 LEU B 25 -14.052 13.606 -2.524 1.00 23.13 H new ATOM 1421 N LEU B 26 -16.603 12.388 2.094 1.00 72.42 N ATOM 1422 CA LEU B 26 -16.571 11.163 2.885 1.00 73.23 C ATOM 1423 C LEU B 26 -17.923 10.457 2.853 1.00 32.55 C ATOM 1424 O LEU B 26 -18.002 9.240 3.021 1.00 5.01 O ATOM 1425 CB LEU B 26 -16.181 11.476 4.332 1.00 63.51 C ATOM 1426 CG LEU B 26 -16.119 10.281 5.284 1.00 34.32 C ATOM 1427 CD1 LEU B 26 -15.071 10.511 6.361 1.00 54.33 C ATOM 1428 CD2 LEU B 26 -17.483 10.026 5.909 1.00 22.42 C ATOM 0 H LEU B 26 -16.672 13.244 2.645 1.00 72.42 H new ATOM 0 HA LEU B 26 -15.825 10.499 2.449 1.00 73.23 H new ATOM 0 HB2 LEU B 26 -15.205 11.962 4.327 1.00 63.51 H new ATOM 0 HB3 LEU B 26 -16.894 12.197 4.732 1.00 63.51 H new ATOM 0 HG LEU B 26 -15.834 9.399 4.711 1.00 34.32 H new ATOM 0 HD11 LEU B 26 -15.041 9.650 7.029 1.00 54.33 H new ATOM 0 HD12 LEU B 26 -14.094 10.643 5.896 1.00 54.33 H new ATOM 0 HD13 LEU B 26 -15.325 11.404 6.931 1.00 54.33 H new ATOM 0 HD21 LEU B 26 -17.420 9.172 6.584 1.00 22.42 H new ATOM 0 HD22 LEU B 26 -17.798 10.907 6.468 1.00 22.42 H new ATOM 0 HD23 LEU B 26 -18.209 9.816 5.124 1.00 22.42 H new ATOM 1440 N GLU B 27 -18.982 11.228 2.635 1.00 5.42 N ATOM 1441 CA GLU B 27 -20.331 10.676 2.578 1.00 22.14 C ATOM 1442 C GLU B 27 -20.581 9.986 1.240 1.00 3.22 C ATOM 1443 O GLU B 27 -21.405 9.079 1.142 1.00 62.41 O ATOM 1444 CB GLU B 27 -21.367 11.780 2.798 1.00 45.10 C ATOM 1445 CG GLU B 27 -21.707 12.015 4.260 1.00 22.21 C ATOM 1446 CD GLU B 27 -23.125 12.514 4.456 1.00 34.23 C ATOM 1447 OE1 GLU B 27 -23.290 13.651 4.946 1.00 11.11 O ATOM 1448 OE2 GLU B 27 -24.069 11.769 4.122 1.00 64.21 O ATOM 0 H GLU B 27 -18.933 12.237 2.495 1.00 5.42 H new ATOM 0 HA GLU B 27 -20.427 9.935 3.372 1.00 22.14 H new ATOM 0 HB2 GLU B 27 -20.993 12.709 2.367 1.00 45.10 H new ATOM 0 HB3 GLU B 27 -22.279 11.523 2.259 1.00 45.10 H new ATOM 0 HG2 GLU B 27 -21.573 11.086 4.814 1.00 22.21 H new ATOM 0 HG3 GLU B 27 -21.009 12.740 4.679 1.00 22.21 H new ATOM 1455 N GLY B 28 -19.862 10.426 0.211 1.00 41.42 N ATOM 1456 CA GLY B 28 -20.022 9.842 -1.108 1.00 23.51 C ATOM 1457 C GLY B 28 -19.801 8.342 -1.107 1.00 23.21 C ATOM 1458 O GLY B 28 -20.381 7.622 -1.919 1.00 45.12 O ATOM 0 H GLY B 28 -19.173 11.176 0.267 1.00 41.42 H new ATOM 0 HA2 GLY B 28 -21.024 10.059 -1.479 1.00 23.51 H new ATOM 0 HA3 GLY B 28 -19.319 10.310 -1.797 1.00 23.51 H new ATOM 1504 N GLY B 35 -23.283 6.702 10.899 1.00 75.15 N ATOM 1505 CA GLY B 35 -22.143 7.149 10.122 1.00 12.54 C ATOM 1506 C GLY B 35 -21.067 7.782 10.983 1.00 33.10 C ATOM 1507 O GLY B 35 -20.967 9.006 11.063 1.00 32.22 O ATOM 0 HA2 GLY B 35 -21.720 6.302 9.582 1.00 12.54 H new ATOM 0 HA3 GLY B 35 -22.476 7.869 9.375 1.00 12.54 H new ATOM 1511 N GLU B 36 -20.261 6.946 11.629 1.00 72.50 N ATOM 1512 CA GLU B 36 -19.189 7.431 12.490 1.00 53.02 C ATOM 1513 C GLU B 36 -18.140 8.187 11.680 1.00 50.21 C ATOM 1514 O GLU B 36 -17.520 9.131 12.172 1.00 40.53 O ATOM 1515 CB GLU B 36 -18.532 6.264 13.232 1.00 25.04 C ATOM 1516 CG GLU B 36 -17.275 6.655 13.990 1.00 22.43 C ATOM 1517 CD GLU B 36 -16.704 5.510 14.804 1.00 23.34 C ATOM 1518 OE1 GLU B 36 -15.616 5.686 15.392 1.00 71.23 O ATOM 1519 OE2 GLU B 36 -17.343 4.439 14.851 1.00 62.15 O ATOM 0 H GLU B 36 -20.330 5.930 11.573 1.00 72.50 H new ATOM 0 HA GLU B 36 -19.625 8.116 13.218 1.00 53.02 H new ATOM 0 HB2 GLU B 36 -19.251 5.839 13.932 1.00 25.04 H new ATOM 0 HB3 GLU B 36 -18.285 5.481 12.515 1.00 25.04 H new ATOM 0 HG2 GLU B 36 -16.522 7.004 13.283 1.00 22.43 H new ATOM 0 HG3 GLU B 36 -17.500 7.490 14.653 1.00 22.43 H new ATOM 1526 N LEU B 37 -17.946 7.766 10.435 1.00 4.12 N ATOM 1527 CA LEU B 37 -16.973 8.402 9.555 1.00 21.12 C ATOM 1528 C LEU B 37 -17.220 9.905 9.466 1.00 32.34 C ATOM 1529 O LEU B 37 -16.288 10.687 9.282 1.00 5.13 O ATOM 1530 CB LEU B 37 -17.034 7.780 8.159 1.00 65.31 C ATOM 1531 CG LEU B 37 -16.865 6.262 8.092 1.00 52.20 C ATOM 1532 CD1 LEU B 37 -17.638 5.690 6.915 1.00 63.24 C ATOM 1533 CD2 LEU B 37 -15.391 5.894 7.995 1.00 53.25 C ATOM 0 H LEU B 37 -18.450 6.986 10.012 1.00 4.12 H new ATOM 0 HA LEU B 37 -15.980 8.240 9.975 1.00 21.12 H new ATOM 0 HB2 LEU B 37 -17.993 8.039 7.710 1.00 65.31 H new ATOM 0 HB3 LEU B 37 -16.260 8.239 7.545 1.00 65.31 H new ATOM 0 HG LEU B 37 -17.268 5.830 9.008 1.00 52.20 H new ATOM 0 HD11 LEU B 37 -17.506 4.609 6.884 1.00 63.24 H new ATOM 0 HD12 LEU B 37 -18.697 5.923 7.027 1.00 63.24 H new ATOM 0 HD13 LEU B 37 -17.267 6.128 5.988 1.00 63.24 H new ATOM 0 HD21 LEU B 37 -15.289 4.810 7.948 1.00 53.25 H new ATOM 0 HD22 LEU B 37 -14.964 6.338 7.096 1.00 53.25 H new ATOM 0 HD23 LEU B 37 -14.864 6.271 8.871 1.00 53.25 H new ATOM 1545 N MET B 38 -18.481 10.301 9.600 1.00 42.11 N ATOM 1546 CA MET B 38 -18.850 11.711 9.538 1.00 21.41 C ATOM 1547 C MET B 38 -18.459 12.432 10.824 1.00 42.21 C ATOM 1548 O MET B 38 -18.128 13.617 10.806 1.00 53.21 O ATOM 1549 CB MET B 38 -20.354 11.856 9.295 1.00 23.32 C ATOM 1550 CG MET B 38 -20.871 10.997 8.152 1.00 34.44 C ATOM 1551 SD MET B 38 -22.524 11.475 7.617 1.00 72.11 S ATOM 1552 CE MET B 38 -23.531 10.351 8.584 1.00 24.32 C ATOM 0 H MET B 38 -19.265 9.666 9.752 1.00 42.11 H new ATOM 0 HA MET B 38 -18.310 12.167 8.708 1.00 21.41 H new ATOM 0 HB2 MET B 38 -20.888 11.592 10.208 1.00 23.32 H new ATOM 0 HB3 MET B 38 -20.581 12.901 9.084 1.00 23.32 H new ATOM 0 HG2 MET B 38 -20.185 11.071 7.308 1.00 34.44 H new ATOM 0 HG3 MET B 38 -20.882 9.953 8.464 1.00 34.44 H new ATOM 0 HE1 MET B 38 -24.512 10.795 8.753 1.00 24.32 H new ATOM 0 HE2 MET B 38 -23.646 9.410 8.045 1.00 24.32 H new ATOM 0 HE3 MET B 38 -23.048 10.163 9.543 1.00 24.32 H new ATOM 1562 N LYS B 39 -18.500 11.709 11.938 1.00 24.20 N ATOM 1563 CA LYS B 39 -18.149 12.280 13.234 1.00 64.42 C ATOM 1564 C LYS B 39 -16.636 12.406 13.380 1.00 72.42 C ATOM 1565 O LYS B 39 -16.142 13.297 14.073 1.00 24.34 O ATOM 1566 CB LYS B 39 -18.712 11.414 14.363 1.00 34.24 C ATOM 1567 CG LYS B 39 -20.192 11.108 14.217 1.00 64.53 C ATOM 1568 CD LYS B 39 -21.041 12.350 14.425 1.00 54.33 C ATOM 1569 CE LYS B 39 -22.345 12.020 15.136 1.00 34.00 C ATOM 1570 NZ LYS B 39 -22.144 11.819 16.597 1.00 53.35 N ATOM 0 H LYS B 39 -18.773 10.727 11.970 1.00 24.20 H new ATOM 0 HA LYS B 39 -18.586 13.277 13.296 1.00 64.42 H new ATOM 0 HB2 LYS B 39 -18.158 10.476 14.400 1.00 34.24 H new ATOM 0 HB3 LYS B 39 -18.547 11.920 15.314 1.00 34.24 H new ATOM 0 HG2 LYS B 39 -20.383 10.697 13.226 1.00 64.53 H new ATOM 0 HG3 LYS B 39 -20.480 10.344 14.940 1.00 64.53 H new ATOM 0 HD2 LYS B 39 -20.482 13.081 15.009 1.00 54.33 H new ATOM 0 HD3 LYS B 39 -21.257 12.810 13.461 1.00 54.33 H new ATOM 0 HE2 LYS B 39 -23.060 12.826 14.975 1.00 34.00 H new ATOM 0 HE3 LYS B 39 -22.778 11.119 14.702 1.00 34.00 H new ATOM 0 HZ1 LYS B 39 -23.056 11.596 17.045 1.00 53.35 H new ATOM 0 HZ2 LYS B 39 -21.481 11.033 16.751 1.00 53.35 H new ATOM 0 HZ3 LYS B 39 -21.755 12.687 17.017 1.00 53.35 H new ATOM 1584 N LEU B 40 -15.905 11.510 12.724 1.00 54.41 N ATOM 1585 CA LEU B 40 -14.448 11.523 12.781 1.00 33.43 C ATOM 1586 C LEU B 40 -13.897 12.868 12.319 1.00 33.22 C ATOM 1587 O LEU B 40 -13.064 13.474 12.995 1.00 24.13 O ATOM 1588 CB LEU B 40 -13.875 10.400 11.916 1.00 32.31 C ATOM 1589 CG LEU B 40 -13.119 9.298 12.661 1.00 62.41 C ATOM 1590 CD1 LEU B 40 -11.946 9.883 13.432 1.00 50.14 C ATOM 1591 CD2 LEU B 40 -14.055 8.548 13.597 1.00 50.11 C ATOM 0 H LEU B 40 -16.298 10.766 12.147 1.00 54.41 H new ATOM 0 HA LEU B 40 -14.148 11.365 13.817 1.00 33.43 H new ATOM 0 HB2 LEU B 40 -14.694 9.941 11.363 1.00 32.31 H new ATOM 0 HB3 LEU B 40 -13.202 10.842 11.181 1.00 32.31 H new ATOM 0 HG LEU B 40 -12.729 8.592 11.928 1.00 62.41 H new ATOM 0 HD11 LEU B 40 -11.420 9.085 13.956 1.00 50.14 H new ATOM 0 HD12 LEU B 40 -11.263 10.373 12.738 1.00 50.14 H new ATOM 0 HD13 LEU B 40 -12.313 10.611 14.155 1.00 50.14 H new ATOM 0 HD21 LEU B 40 -13.500 7.768 14.118 1.00 50.11 H new ATOM 0 HD22 LEU B 40 -14.475 9.242 14.324 1.00 50.11 H new ATOM 0 HD23 LEU B 40 -14.861 8.095 13.020 1.00 50.11 H new ATOM 1603 N CYS B 41 -14.367 13.329 11.165 1.00 12.12 N ATOM 1604 CA CYS B 41 -13.922 14.604 10.613 1.00 52.23 C ATOM 1605 C CYS B 41 -14.411 15.768 11.469 1.00 43.22 C ATOM 1606 O CYS B 41 -13.676 16.724 11.710 1.00 14.35 O ATOM 1607 CB CYS B 41 -14.425 14.764 9.177 1.00 55.30 C ATOM 1608 SG CYS B 41 -14.012 16.356 8.424 1.00 53.12 S ATOM 0 H CYS B 41 -15.056 12.839 10.594 1.00 12.12 H new ATOM 0 HA CYS B 41 -12.832 14.611 10.612 1.00 52.23 H new ATOM 0 HB2 CYS B 41 -14.006 13.965 8.565 1.00 55.30 H new ATOM 0 HB3 CYS B 41 -15.508 14.639 9.166 1.00 55.30 H new ATOM 0 HG CYS B 41 -12.758 16.625 8.639 1.00 53.12 H new ATOM 1614 N GLU B 42 -15.657 15.679 11.923 1.00 52.32 N ATOM 1615 CA GLU B 42 -16.245 16.726 12.751 1.00 24.15 C ATOM 1616 C GLU B 42 -15.488 16.867 14.068 1.00 34.32 C ATOM 1617 O GLU B 42 -15.367 17.965 14.612 1.00 22.35 O ATOM 1618 CB GLU B 42 -17.718 16.423 13.026 1.00 41.33 C ATOM 1619 CG GLU B 42 -18.513 17.633 13.489 1.00 3.42 C ATOM 1620 CD GLU B 42 -20.003 17.477 13.255 1.00 12.24 C ATOM 1621 OE1 GLU B 42 -20.759 18.405 13.612 1.00 4.24 O ATOM 1622 OE2 GLU B 42 -20.413 16.428 12.717 1.00 11.32 O ATOM 0 H GLU B 42 -16.279 14.893 11.732 1.00 52.32 H new ATOM 0 HA GLU B 42 -16.172 17.668 12.207 1.00 24.15 H new ATOM 0 HB2 GLU B 42 -18.174 16.025 12.119 1.00 41.33 H new ATOM 0 HB3 GLU B 42 -17.784 15.643 13.785 1.00 41.33 H new ATOM 0 HG2 GLU B 42 -18.331 17.798 14.551 1.00 3.42 H new ATOM 0 HG3 GLU B 42 -18.157 18.519 12.964 1.00 3.42 H new ATOM 1629 N GLU B 43 -14.982 15.748 14.576 1.00 54.20 N ATOM 1630 CA GLU B 43 -14.238 15.746 15.831 1.00 52.31 C ATOM 1631 C GLU B 43 -13.059 16.712 15.765 1.00 34.11 C ATOM 1632 O GLU B 43 -12.782 17.436 16.721 1.00 2.42 O ATOM 1633 CB GLU B 43 -13.740 14.336 16.153 1.00 3.02 C ATOM 1634 CG GLU B 43 -13.729 14.018 17.639 1.00 41.52 C ATOM 1635 CD GLU B 43 -14.024 12.560 17.926 1.00 73.14 C ATOM 1636 OE1 GLU B 43 -13.080 11.821 18.275 1.00 21.24 O ATOM 1637 OE2 GLU B 43 -15.200 12.156 17.802 1.00 2.10 O ATOM 0 H GLU B 43 -15.073 14.831 14.138 1.00 54.20 H new ATOM 0 HA GLU B 43 -14.911 16.074 16.623 1.00 52.31 H new ATOM 0 HB2 GLU B 43 -14.371 13.611 15.640 1.00 3.02 H new ATOM 0 HB3 GLU B 43 -12.731 14.217 15.757 1.00 3.02 H new ATOM 0 HG2 GLU B 43 -12.755 14.276 18.055 1.00 41.52 H new ATOM 0 HG3 GLU B 43 -14.467 14.640 18.145 1.00 41.52 H new ATOM 1644 N ALA B 44 -12.366 16.715 14.630 1.00 52.31 N ATOM 1645 CA ALA B 44 -11.218 17.591 14.438 1.00 14.43 C ATOM 1646 C ALA B 44 -11.649 19.052 14.361 1.00 12.03 C ATOM 1647 O ALA B 44 -10.937 19.944 14.823 1.00 42.24 O ATOM 1648 CB ALA B 44 -10.457 17.196 13.183 1.00 24.12 C ATOM 0 H ALA B 44 -12.581 16.120 13.830 1.00 52.31 H new ATOM 0 HA ALA B 44 -10.559 17.479 15.299 1.00 14.43 H new ATOM 0 HB1 ALA B 44 -9.602 17.859 13.052 1.00 24.12 H new ATOM 0 HB2 ALA B 44 -10.108 16.168 13.278 1.00 24.12 H new ATOM 0 HB3 ALA B 44 -11.115 17.277 12.318 1.00 24.12 H new ATOM 1654 N ALA B 45 -12.817 19.289 13.774 1.00 11.02 N ATOM 1655 CA ALA B 45 -13.343 20.641 13.637 1.00 13.25 C ATOM 1656 C ALA B 45 -13.799 21.192 14.984 1.00 32.24 C ATOM 1657 O ALA B 45 -13.825 22.404 15.195 1.00 12.40 O ATOM 1658 CB ALA B 45 -14.491 20.663 12.639 1.00 13.42 C ATOM 0 H ALA B 45 -13.417 18.562 13.385 1.00 11.02 H new ATOM 0 HA ALA B 45 -12.542 21.280 13.265 1.00 13.25 H new ATOM 0 HB1 ALA B 45 -14.874 21.679 12.547 1.00 13.42 H new ATOM 0 HB2 ALA B 45 -14.135 20.320 11.667 1.00 13.42 H new ATOM 0 HB3 ALA B 45 -15.288 20.005 12.986 1.00 13.42 H new ATOM 1664 N LYS B 46 -14.159 20.293 15.895 1.00 63.42 N ATOM 1665 CA LYS B 46 -14.614 20.688 17.222 1.00 62.33 C ATOM 1666 C LYS B 46 -13.497 21.380 17.997 1.00 52.24 C ATOM 1667 O LYS B 46 -13.751 22.268 18.812 1.00 62.34 O ATOM 1668 CB LYS B 46 -15.107 19.464 17.999 1.00 21.42 C ATOM 1669 CG LYS B 46 -16.617 19.402 18.143 1.00 54.24 C ATOM 1670 CD LYS B 46 -17.064 19.842 19.527 1.00 14.21 C ATOM 1671 CE LYS B 46 -18.476 20.405 19.504 1.00 63.15 C ATOM 1672 NZ LYS B 46 -18.483 21.891 19.597 1.00 54.44 N ATOM 0 H LYS B 46 -14.144 19.285 15.737 1.00 63.42 H new ATOM 0 HA LYS B 46 -15.438 21.391 17.102 1.00 62.33 H new ATOM 0 HB2 LYS B 46 -14.761 18.561 17.495 1.00 21.42 H new ATOM 0 HB3 LYS B 46 -14.656 19.468 18.991 1.00 21.42 H new ATOM 0 HG2 LYS B 46 -17.082 20.039 17.390 1.00 54.24 H new ATOM 0 HG3 LYS B 46 -16.960 18.384 17.955 1.00 54.24 H new ATOM 0 HD2 LYS B 46 -17.020 18.995 20.211 1.00 14.21 H new ATOM 0 HD3 LYS B 46 -16.377 20.596 19.910 1.00 14.21 H new ATOM 0 HE2 LYS B 46 -18.975 20.096 18.585 1.00 63.15 H new ATOM 0 HE3 LYS B 46 -19.047 19.987 20.333 1.00 63.15 H new ATOM 0 HZ1 LYS B 46 -19.464 22.235 19.578 1.00 54.44 H new ATOM 0 HZ2 LYS B 46 -18.030 22.185 20.486 1.00 54.44 H new ATOM 0 HZ3 LYS B 46 -17.960 22.292 18.792 1.00 54.44 H new ATOM 1686 N LYS B 47 -12.261 20.969 17.737 1.00 13.23 N ATOM 1687 CA LYS B 47 -11.105 21.551 18.407 1.00 14.21 C ATOM 1688 C LYS B 47 -10.995 23.043 18.108 1.00 41.44 C ATOM 1689 O LYS B 47 -10.612 23.833 18.970 1.00 34.31 O ATOM 1690 CB LYS B 47 -9.823 20.838 17.971 1.00 23.31 C ATOM 1691 CG LYS B 47 -9.026 20.258 19.126 1.00 30.42 C ATOM 1692 CD LYS B 47 -9.810 19.184 19.861 1.00 3.42 C ATOM 1693 CE LYS B 47 -8.973 18.531 20.951 1.00 64.53 C ATOM 1694 NZ LYS B 47 -9.526 18.795 22.308 1.00 71.33 N ATOM 0 H LYS B 47 -12.034 20.235 17.067 1.00 13.23 H new ATOM 0 HA LYS B 47 -11.238 21.422 19.481 1.00 14.21 H new ATOM 0 HB2 LYS B 47 -10.081 20.036 17.280 1.00 23.31 H new ATOM 0 HB3 LYS B 47 -9.195 21.541 17.424 1.00 23.31 H new ATOM 0 HG2 LYS B 47 -8.094 19.836 18.750 1.00 30.42 H new ATOM 0 HG3 LYS B 47 -8.759 21.054 19.821 1.00 30.42 H new ATOM 0 HD2 LYS B 47 -10.705 19.623 20.302 1.00 3.42 H new ATOM 0 HD3 LYS B 47 -10.143 18.425 19.152 1.00 3.42 H new ATOM 0 HE2 LYS B 47 -8.929 17.455 20.780 1.00 64.53 H new ATOM 0 HE3 LYS B 47 -7.950 18.905 20.897 1.00 64.53 H new ATOM 0 HZ1 LYS B 47 -8.928 18.333 23.023 1.00 71.33 H new ATOM 0 HZ2 LYS B 47 -9.545 19.820 22.482 1.00 71.33 H new ATOM 0 HZ3 LYS B 47 -10.493 18.416 22.369 1.00 71.33 H new ATOM 1708 N ALA B 48 -11.338 23.422 16.881 1.00 21.13 N ATOM 1709 CA ALA B 48 -11.282 24.819 16.469 1.00 4.23 C ATOM 1710 C ALA B 48 -12.264 25.667 17.269 1.00 63.15 C ATOM 1711 O ALA B 48 -11.931 26.764 17.715 1.00 71.05 O ATOM 1712 CB ALA B 48 -11.566 24.943 14.979 1.00 61.51 C ATOM 0 H ALA B 48 -11.658 22.781 16.155 1.00 21.13 H new ATOM 0 HA ALA B 48 -10.276 25.190 16.667 1.00 4.23 H new ATOM 0 HB1 ALA B 48 -11.521 25.992 14.686 1.00 61.51 H new ATOM 0 HB2 ALA B 48 -10.822 24.377 14.418 1.00 61.51 H new ATOM 0 HB3 ALA B 48 -12.559 24.549 14.764 1.00 61.51 H new ATOM 1718 N GLU B 49 -13.477 25.151 17.444 1.00 40.10 N ATOM 1719 CA GLU B 49 -14.509 25.864 18.189 1.00 73.34 C ATOM 1720 C GLU B 49 -14.088 26.067 19.642 1.00 22.13 C ATOM 1721 O GLU B 49 -14.430 27.073 20.262 1.00 40.11 O ATOM 1722 CB GLU B 49 -15.831 25.095 18.133 1.00 41.42 C ATOM 1723 CG GLU B 49 -16.805 25.636 17.099 1.00 33.10 C ATOM 1724 CD GLU B 49 -18.207 25.804 17.651 1.00 44.01 C ATOM 1725 OE1 GLU B 49 -19.173 25.547 16.903 1.00 64.22 O ATOM 1726 OE2 GLU B 49 -18.340 26.193 18.830 1.00 11.14 O ATOM 0 H GLU B 49 -13.769 24.244 17.081 1.00 40.10 H new ATOM 0 HA GLU B 49 -14.645 26.842 17.728 1.00 73.34 H new ATOM 0 HB2 GLU B 49 -15.624 24.048 17.912 1.00 41.42 H new ATOM 0 HB3 GLU B 49 -16.302 25.126 19.115 1.00 41.42 H new ATOM 0 HG2 GLU B 49 -16.445 26.598 16.734 1.00 33.10 H new ATOM 0 HG3 GLU B 49 -16.834 24.961 16.244 1.00 33.10 H new ATOM 1733 N GLU B 50 -13.344 25.104 20.177 1.00 74.32 N ATOM 1734 CA GLU B 50 -12.878 25.177 21.557 1.00 43.31 C ATOM 1735 C GLU B 50 -11.626 26.043 21.663 1.00 14.12 C ATOM 1736 O GLU B 50 -11.401 26.708 22.676 1.00 21.32 O ATOM 1737 CB GLU B 50 -12.589 23.775 22.097 1.00 4.05 C ATOM 1738 CG GLU B 50 -12.737 23.661 23.604 1.00 33.24 C ATOM 1739 CD GLU B 50 -12.250 22.327 24.138 1.00 55.21 C ATOM 1740 OE1 GLU B 50 -11.153 21.890 23.733 1.00 1.43 O ATOM 1741 OE2 GLU B 50 -12.967 21.720 24.961 1.00 14.20 O ATOM 0 H GLU B 50 -13.051 24.265 19.676 1.00 74.32 H new ATOM 0 HA GLU B 50 -13.666 25.633 22.156 1.00 43.31 H new ATOM 0 HB2 GLU B 50 -13.264 23.065 21.619 1.00 4.05 H new ATOM 0 HB3 GLU B 50 -11.575 23.489 21.817 1.00 4.05 H new ATOM 0 HG2 GLU B 50 -12.178 24.466 24.082 1.00 33.24 H new ATOM 0 HG3 GLU B 50 -13.784 23.796 23.874 1.00 33.24 H new ATOM 1748 N LEU B 51 -10.814 26.029 20.612 1.00 44.22 N ATOM 1749 CA LEU B 51 -9.583 26.813 20.585 1.00 73.15 C ATOM 1750 C LEU B 51 -9.887 28.299 20.425 1.00 43.22 C ATOM 1751 O LEU B 51 -9.132 29.152 20.895 1.00 61.53 O ATOM 1752 CB LEU B 51 -8.680 26.340 19.445 1.00 32.43 C ATOM 1753 CG LEU B 51 -7.417 25.582 19.860 1.00 44.40 C ATOM 1754 CD1 LEU B 51 -6.434 26.518 20.545 1.00 21.24 C ATOM 1755 CD2 LEU B 51 -7.770 24.416 20.772 1.00 43.21 C ATOM 0 H LEU B 51 -10.985 25.484 19.767 1.00 44.22 H new ATOM 0 HA LEU B 51 -9.067 26.667 21.534 1.00 73.15 H new ATOM 0 HB2 LEU B 51 -9.265 25.698 18.787 1.00 32.43 H new ATOM 0 HB3 LEU B 51 -8.382 27.210 18.859 1.00 32.43 H new ATOM 0 HG LEU B 51 -6.943 25.185 18.962 1.00 44.40 H new ATOM 0 HD11 LEU B 51 -5.542 25.962 20.833 1.00 21.24 H new ATOM 0 HD12 LEU B 51 -6.156 27.319 19.860 1.00 21.24 H new ATOM 0 HD13 LEU B 51 -6.898 26.945 21.434 1.00 21.24 H new ATOM 0 HD21 LEU B 51 -6.860 23.888 21.057 1.00 43.21 H new ATOM 0 HD22 LEU B 51 -8.267 24.791 21.666 1.00 43.21 H new ATOM 0 HD23 LEU B 51 -8.436 23.732 20.247 1.00 43.21 H new ATOM 1767 N PHE B 52 -10.997 28.602 19.761 1.00 54.31 N ATOM 1768 CA PHE B 52 -11.402 29.986 19.542 1.00 65.42 C ATOM 1769 C PHE B 52 -11.721 30.677 20.864 1.00 41.30 C ATOM 1770 O PHE B 52 -11.491 31.876 21.023 1.00 53.13 O ATOM 1771 CB PHE B 52 -12.620 30.043 18.616 1.00 32.43 C ATOM 1772 CG PHE B 52 -12.503 31.078 17.535 1.00 24.44 C ATOM 1773 CD1 PHE B 52 -12.767 30.753 16.214 1.00 52.42 C ATOM 1774 CD2 PHE B 52 -12.129 32.377 17.839 1.00 4.31 C ATOM 1775 CE1 PHE B 52 -12.661 31.704 15.216 1.00 54.01 C ATOM 1776 CE2 PHE B 52 -12.022 33.332 16.845 1.00 11.31 C ATOM 1777 CZ PHE B 52 -12.288 32.995 15.533 1.00 23.35 C ATOM 0 H PHE B 52 -11.632 27.909 19.365 1.00 54.31 H new ATOM 0 HA PHE B 52 -10.571 30.510 19.071 1.00 65.42 H new ATOM 0 HB2 PHE B 52 -12.764 29.065 18.157 1.00 32.43 H new ATOM 0 HB3 PHE B 52 -13.509 30.250 19.211 1.00 32.43 H new ATOM 0 HD1 PHE B 52 -13.059 29.745 15.961 1.00 52.42 H new ATOM 0 HD2 PHE B 52 -11.919 32.646 18.863 1.00 4.31 H new ATOM 0 HE1 PHE B 52 -12.870 31.438 14.190 1.00 54.01 H new ATOM 0 HE2 PHE B 52 -11.730 34.341 17.095 1.00 11.31 H new ATOM 0 HZ PHE B 52 -12.204 33.740 14.756 1.00 23.35 H new ATOM 1787 N LYS B 53 -12.254 29.911 21.810 1.00 14.12 N ATOM 1788 CA LYS B 53 -12.606 30.447 23.120 1.00 31.24 C ATOM 1789 C LYS B 53 -11.358 30.874 23.886 1.00 50.22 C ATOM 1790 O LYS B 53 -11.344 31.920 24.535 1.00 12.34 O ATOM 1791 CB LYS B 53 -13.382 29.405 23.928 1.00 71.10 C ATOM 1792 CG LYS B 53 -14.857 29.727 24.080 1.00 42.52 C ATOM 1793 CD LYS B 53 -15.264 29.812 25.542 1.00 64.44 C ATOM 1794 CE LYS B 53 -14.784 31.105 26.180 1.00 1.33 C ATOM 1795 NZ LYS B 53 -15.910 32.041 26.452 1.00 73.34 N ATOM 0 H LYS B 53 -12.452 28.917 21.694 1.00 14.12 H new ATOM 0 HA LYS B 53 -13.236 31.324 22.969 1.00 31.24 H new ATOM 0 HB2 LYS B 53 -13.279 28.433 23.445 1.00 71.10 H new ATOM 0 HB3 LYS B 53 -12.934 29.318 24.918 1.00 71.10 H new ATOM 0 HG2 LYS B 53 -15.076 30.673 23.585 1.00 42.52 H new ATOM 0 HG3 LYS B 53 -15.450 28.961 23.581 1.00 42.52 H new ATOM 0 HD2 LYS B 53 -16.349 29.746 25.623 1.00 64.44 H new ATOM 0 HD3 LYS B 53 -14.852 28.962 26.086 1.00 64.44 H new ATOM 0 HE2 LYS B 53 -14.266 30.879 27.112 1.00 1.33 H new ATOM 0 HE3 LYS B 53 -14.061 31.588 25.522 1.00 1.33 H new ATOM 0 HZ1 LYS B 53 -15.541 32.911 26.887 1.00 73.34 H new ATOM 0 HZ2 LYS B 53 -16.389 32.277 25.559 1.00 73.34 H new ATOM 0 HZ3 LYS B 53 -16.587 31.590 27.100 1.00 73.34 H new ATOM 1809 N LEU B 54 -10.312 30.059 23.805 1.00 14.41 N ATOM 1810 CA LEU B 54 -9.058 30.354 24.490 1.00 25.02 C ATOM 1811 C LEU B 54 -8.259 31.408 23.731 1.00 33.54 C ATOM 1812 O LEU B 54 -7.710 32.335 24.329 1.00 22.40 O ATOM 1813 CB LEU B 54 -8.226 29.078 24.643 1.00 11.54 C ATOM 1814 CG LEU B 54 -8.064 28.551 26.069 1.00 62.41 C ATOM 1815 CD1 LEU B 54 -9.323 27.826 26.517 1.00 43.42 C ATOM 1816 CD2 LEU B 54 -6.855 27.632 26.163 1.00 63.35 C ATOM 0 H LEU B 54 -10.307 29.189 23.272 1.00 14.41 H new ATOM 0 HA LEU B 54 -9.295 30.747 25.479 1.00 25.02 H new ATOM 0 HB2 LEU B 54 -8.683 28.295 24.037 1.00 11.54 H new ATOM 0 HB3 LEU B 54 -7.234 29.263 24.230 1.00 11.54 H new ATOM 0 HG LEU B 54 -7.903 29.400 26.734 1.00 62.41 H new ATOM 0 HD11 LEU B 54 -9.189 27.458 27.534 1.00 43.42 H new ATOM 0 HD12 LEU B 54 -10.168 28.513 26.489 1.00 43.42 H new ATOM 0 HD13 LEU B 54 -9.516 26.986 25.850 1.00 43.42 H new ATOM 0 HD21 LEU B 54 -6.755 27.266 27.185 1.00 63.35 H new ATOM 0 HD22 LEU B 54 -6.986 26.788 25.486 1.00 63.35 H new ATOM 0 HD23 LEU B 54 -5.957 28.183 25.885 1.00 63.35 H new ATOM 1828 N ALA B 55 -8.197 31.261 22.412 1.00 12.12 N ATOM 1829 CA ALA B 55 -7.468 32.204 21.572 1.00 71.41 C ATOM 1830 C ALA B 55 -7.925 33.635 21.829 1.00 23.33 C ATOM 1831 O ALA B 55 -7.137 34.575 21.721 1.00 53.33 O ATOM 1832 CB ALA B 55 -7.644 31.846 20.103 1.00 2.20 C ATOM 0 H ALA B 55 -8.642 30.498 21.902 1.00 12.12 H new ATOM 0 HA ALA B 55 -6.410 32.138 21.827 1.00 71.41 H new ATOM 0 HB1 ALA B 55 -7.095 32.558 19.487 1.00 2.20 H new ATOM 0 HB2 ALA B 55 -7.261 30.841 19.925 1.00 2.20 H new ATOM 0 HB3 ALA B 55 -8.702 31.883 19.844 1.00 2.20 H new ATOM 1838 N GLU B 56 -9.200 33.794 22.167 1.00 63.42 N ATOM 1839 CA GLU B 56 -9.761 35.112 22.437 1.00 32.21 C ATOM 1840 C GLU B 56 -9.326 35.617 23.810 1.00 53.04 C ATOM 1841 O GLU B 56 -9.132 36.816 24.009 1.00 64.12 O ATOM 1842 CB GLU B 56 -11.288 35.068 22.357 1.00 11.04 C ATOM 1843 CG GLU B 56 -11.944 36.431 22.492 1.00 2.02 C ATOM 1844 CD GLU B 56 -11.842 37.257 21.225 1.00 23.24 C ATOM 1845 OE1 GLU B 56 -12.435 36.849 20.203 1.00 12.54 O ATOM 1846 OE2 GLU B 56 -11.169 38.308 21.252 1.00 12.33 O ATOM 0 H GLU B 56 -9.865 33.026 22.260 1.00 63.42 H new ATOM 0 HA GLU B 56 -9.386 35.800 21.680 1.00 32.21 H new ATOM 0 HB2 GLU B 56 -11.581 34.626 21.405 1.00 11.04 H new ATOM 0 HB3 GLU B 56 -11.666 34.413 23.142 1.00 11.04 H new ATOM 0 HG2 GLU B 56 -12.994 36.300 22.752 1.00 2.02 H new ATOM 0 HG3 GLU B 56 -11.478 36.974 23.314 1.00 2.02 H new ATOM 1853 N GLU B 57 -9.177 34.693 24.754 1.00 45.15 N ATOM 1854 CA GLU B 57 -8.768 35.044 26.108 1.00 72.14 C ATOM 1855 C GLU B 57 -7.271 35.334 26.166 1.00 74.34 C ATOM 1856 O GLU B 57 -6.805 36.079 27.029 1.00 2.32 O ATOM 1857 CB GLU B 57 -9.118 33.915 27.080 1.00 45.55 C ATOM 1858 CG GLU B 57 -10.612 33.747 27.305 1.00 71.20 C ATOM 1859 CD GLU B 57 -10.927 32.912 28.531 1.00 43.21 C ATOM 1860 OE1 GLU B 57 -11.041 33.493 29.631 1.00 32.44 O ATOM 1861 OE2 GLU B 57 -11.061 31.678 28.391 1.00 21.22 O ATOM 0 H GLU B 57 -9.333 33.696 24.606 1.00 45.15 H new ATOM 0 HA GLU B 57 -9.307 35.945 26.400 1.00 72.14 H new ATOM 0 HB2 GLU B 57 -8.709 32.979 26.699 1.00 45.55 H new ATOM 0 HB3 GLU B 57 -8.634 34.108 28.037 1.00 45.55 H new ATOM 0 HG2 GLU B 57 -11.072 34.729 27.411 1.00 71.20 H new ATOM 0 HG3 GLU B 57 -11.058 33.279 26.427 1.00 71.20 H new ATOM 1868 N ARG B 58 -6.523 34.738 25.244 1.00 41.23 N ATOM 1869 CA ARG B 58 -5.079 34.929 25.191 1.00 42.01 C ATOM 1870 C ARG B 58 -4.719 36.097 24.277 1.00 52.42 C ATOM 1871 O ARG B 58 -3.759 36.825 24.532 1.00 5.45 O ATOM 1872 CB ARG B 58 -4.392 33.654 24.700 1.00 32.23 C ATOM 1873 CG ARG B 58 -4.915 32.388 25.358 1.00 43.02 C ATOM 1874 CD ARG B 58 -3.781 31.519 25.876 1.00 33.54 C ATOM 1875 NE ARG B 58 -3.141 32.099 27.054 1.00 75.04 N ATOM 1876 CZ ARG B 58 -3.685 32.087 28.267 1.00 24.44 C ATOM 1877 NH1 ARG B 58 -4.871 31.528 28.459 1.00 65.15 N ATOM 1878 NH2 ARG B 58 -3.042 32.634 29.289 1.00 12.55 N ATOM 0 H ARG B 58 -6.893 34.118 24.523 1.00 41.23 H new ATOM 0 HA ARG B 58 -4.731 35.156 26.198 1.00 42.01 H new ATOM 0 HB2 ARG B 58 -4.523 33.573 23.621 1.00 32.23 H new ATOM 0 HB3 ARG B 58 -3.321 33.734 24.886 1.00 32.23 H new ATOM 0 HG2 ARG B 58 -5.578 32.652 26.182 1.00 43.02 H new ATOM 0 HG3 ARG B 58 -5.509 31.823 24.640 1.00 43.02 H new ATOM 0 HD2 ARG B 58 -4.166 30.530 26.123 1.00 33.54 H new ATOM 0 HD3 ARG B 58 -3.039 31.385 25.089 1.00 33.54 H new ATOM 0 HE ARG B 58 -2.227 32.537 26.940 1.00 75.04 H new ATOM 0 HH11 ARG B 58 -5.369 31.106 27.675 1.00 65.15 H new ATOM 0 HH12 ARG B 58 -5.286 31.520 29.391 1.00 65.15 H new ATOM 0 HH21 ARG B 58 -2.129 33.065 29.145 1.00 12.55 H new ATOM 0 HH22 ARG B 58 -3.461 32.624 30.219 1.00 12.55 H new ATOM 1892 N LEU B 59 -5.494 36.270 23.212 1.00 14.32 N ATOM 1893 CA LEU B 59 -5.258 37.349 22.260 1.00 14.02 C ATOM 1894 C LEU B 59 -6.127 38.560 22.583 1.00 2.23 C ATOM 1895 O LEU B 59 -6.437 39.367 21.705 1.00 54.14 O ATOM 1896 CB LEU B 59 -5.540 36.870 20.835 1.00 31.43 C ATOM 1897 CG LEU B 59 -4.717 35.673 20.355 1.00 11.12 C ATOM 1898 CD1 LEU B 59 -5.014 35.374 18.894 1.00 1.25 C ATOM 1899 CD2 LEU B 59 -3.232 35.931 20.557 1.00 13.14 C ATOM 0 H LEU B 59 -6.292 35.676 22.986 1.00 14.32 H new ATOM 0 HA LEU B 59 -4.212 37.645 22.336 1.00 14.02 H new ATOM 0 HB2 LEU B 59 -6.597 36.612 20.762 1.00 31.43 H new ATOM 0 HB3 LEU B 59 -5.367 37.702 20.152 1.00 31.43 H new ATOM 0 HG LEU B 59 -4.997 34.802 20.948 1.00 11.12 H new ATOM 0 HD11 LEU B 59 -4.420 34.520 18.569 1.00 1.25 H new ATOM 0 HD12 LEU B 59 -6.073 35.145 18.778 1.00 1.25 H new ATOM 0 HD13 LEU B 59 -4.762 36.243 18.286 1.00 1.25 H new ATOM 0 HD21 LEU B 59 -2.662 35.069 20.210 1.00 13.14 H new ATOM 0 HD22 LEU B 59 -2.936 36.814 19.990 1.00 13.14 H new ATOM 0 HD23 LEU B 59 -3.032 36.096 21.616 1.00 13.14 H new