USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=5 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+ 169:sc= 0 (180deg=-0.0657) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl 166:sc= -0.0069 (180deg=-0.276) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot 7:sc= -0.0153 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ -154:sc= 0.2 (180deg=0.0327) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 4 -12.638 6.950 -1.695 1.00 74.25 N ATOM 63 CA LEU A 4 -12.780 8.205 -0.965 1.00 1.54 C ATOM 64 C LEU A 4 -11.813 8.264 0.213 1.00 62.31 C ATOM 65 O LEU A 4 -11.419 9.344 0.653 1.00 5.53 O ATOM 66 CB LEU A 4 -14.219 8.368 -0.468 1.00 34.21 C ATOM 67 CG LEU A 4 -14.579 7.605 0.806 1.00 54.15 C ATOM 68 CD1 LEU A 4 -14.374 8.483 2.031 1.00 0.45 C ATOM 69 CD2 LEU A 4 -16.014 7.104 0.740 1.00 21.12 C ATOM 0 HA LEU A 4 -12.542 9.022 -1.646 1.00 1.54 H new ATOM 0 HB2 LEU A 4 -14.405 9.428 -0.297 1.00 34.21 H new ATOM 0 HB3 LEU A 4 -14.895 8.049 -1.262 1.00 34.21 H new ATOM 0 HG LEU A 4 -13.918 6.742 0.889 1.00 54.15 H new ATOM 0 HD11 LEU A 4 -14.636 7.922 2.928 1.00 0.45 H new ATOM 0 HD12 LEU A 4 -13.330 8.791 2.087 1.00 0.45 H new ATOM 0 HD13 LEU A 4 -15.009 9.366 1.957 1.00 0.45 H new ATOM 0 HD21 LEU A 4 -16.253 6.563 1.656 1.00 21.12 H new ATOM 0 HD22 LEU A 4 -16.691 7.952 0.632 1.00 21.12 H new ATOM 0 HD23 LEU A 4 -16.128 6.438 -0.115 1.00 21.12 H new ATOM 81 N ARG A 5 -11.434 7.095 0.719 1.00 72.12 N ATOM 82 CA ARG A 5 -10.511 7.013 1.846 1.00 25.32 C ATOM 83 C ARG A 5 -9.158 7.617 1.485 1.00 32.23 C ATOM 84 O ARG A 5 -8.446 8.127 2.349 1.00 35.20 O ATOM 85 CB ARG A 5 -10.334 5.558 2.282 1.00 31.22 C ATOM 86 CG ARG A 5 -10.478 5.349 3.781 1.00 30.55 C ATOM 87 CD ARG A 5 -11.632 4.412 4.104 1.00 11.44 C ATOM 88 NE ARG A 5 -11.288 3.016 3.856 1.00 71.25 N ATOM 89 CZ ARG A 5 -11.941 1.992 4.394 1.00 41.54 C ATOM 90 NH1 ARG A 5 -12.968 2.208 5.206 1.00 54.31 N ATOM 91 NH2 ARG A 5 -11.569 0.748 4.122 1.00 54.21 N ATOM 0 H ARG A 5 -11.751 6.192 0.367 1.00 72.12 H new ATOM 0 HA ARG A 5 -10.934 7.583 2.673 1.00 25.32 H new ATOM 0 HB2 ARG A 5 -11.069 4.941 1.765 1.00 31.22 H new ATOM 0 HB3 ARG A 5 -9.350 5.211 1.968 1.00 31.22 H new ATOM 0 HG2 ARG A 5 -9.551 4.939 4.183 1.00 30.55 H new ATOM 0 HG3 ARG A 5 -10.640 6.310 4.270 1.00 30.55 H new ATOM 0 HD2 ARG A 5 -11.917 4.535 5.149 1.00 11.44 H new ATOM 0 HD3 ARG A 5 -12.499 4.684 3.502 1.00 11.44 H new ATOM 0 HE ARG A 5 -10.503 2.815 3.236 1.00 71.25 H new ATOM 0 HH11 ARG A 5 -13.258 3.162 5.419 1.00 54.31 H new ATOM 0 HH12 ARG A 5 -13.467 1.420 5.618 1.00 54.31 H new ATOM 0 HH21 ARG A 5 -10.780 0.576 3.499 1.00 54.21 H new ATOM 0 HH22 ARG A 5 -12.072 -0.037 4.536 1.00 54.21 H new ATOM 105 N GLU A 6 -8.809 7.554 0.204 1.00 23.31 N ATOM 106 CA GLU A 6 -7.540 8.093 -0.271 1.00 41.54 C ATOM 107 C GLU A 6 -7.562 9.618 -0.269 1.00 43.52 C ATOM 108 O GLU A 6 -6.583 10.263 0.105 1.00 54.15 O ATOM 109 CB GLU A 6 -7.236 7.579 -1.679 1.00 65.25 C ATOM 110 CG GLU A 6 -5.789 7.774 -2.100 1.00 12.11 C ATOM 111 CD GLU A 6 -5.654 8.642 -3.336 1.00 15.40 C ATOM 112 OE1 GLU A 6 -4.824 9.576 -3.317 1.00 50.24 O ATOM 113 OE2 GLU A 6 -6.376 8.387 -4.322 1.00 11.43 O ATOM 0 H GLU A 6 -9.388 7.135 -0.524 1.00 23.31 H new ATOM 0 HA GLU A 6 -6.756 7.757 0.407 1.00 41.54 H new ATOM 0 HB2 GLU A 6 -7.480 6.518 -1.730 1.00 65.25 H new ATOM 0 HB3 GLU A 6 -7.884 8.090 -2.391 1.00 65.25 H new ATOM 0 HG2 GLU A 6 -5.234 8.228 -1.279 1.00 12.11 H new ATOM 0 HG3 GLU A 6 -5.336 6.801 -2.292 1.00 12.11 H new ATOM 120 N GLU A 7 -8.686 10.188 -0.689 1.00 5.23 N ATOM 121 CA GLU A 7 -8.836 11.639 -0.737 1.00 54.34 C ATOM 122 C GLU A 7 -8.991 12.216 0.667 1.00 44.24 C ATOM 123 O GLU A 7 -8.552 13.331 0.943 1.00 10.33 O ATOM 124 CB GLU A 7 -10.044 12.021 -1.594 1.00 0.32 C ATOM 125 CG GLU A 7 -9.937 11.560 -3.038 1.00 31.12 C ATOM 126 CD GLU A 7 -11.130 11.978 -3.875 1.00 54.21 C ATOM 127 OE1 GLU A 7 -11.164 11.632 -5.074 1.00 51.14 O ATOM 128 OE2 GLU A 7 -12.030 12.652 -3.331 1.00 32.21 O ATOM 0 H GLU A 7 -9.506 9.669 -1.001 1.00 5.23 H new ATOM 0 HA GLU A 7 -7.935 12.057 -1.186 1.00 54.34 H new ATOM 0 HB2 GLU A 7 -10.943 11.593 -1.151 1.00 0.32 H new ATOM 0 HB3 GLU A 7 -10.164 13.104 -1.575 1.00 0.32 H new ATOM 0 HG2 GLU A 7 -9.028 11.968 -3.479 1.00 31.12 H new ATOM 0 HG3 GLU A 7 -9.843 10.474 -3.063 1.00 31.12 H new ATOM 135 N ALA A 8 -9.622 11.448 1.551 1.00 34.54 N ATOM 136 CA ALA A 8 -9.835 11.881 2.925 1.00 55.21 C ATOM 137 C ALA A 8 -8.536 11.829 3.725 1.00 62.41 C ATOM 138 O ALA A 8 -8.227 12.746 4.485 1.00 42.01 O ATOM 139 CB ALA A 8 -10.901 11.023 3.590 1.00 11.14 C ATOM 0 H ALA A 8 -9.994 10.522 1.338 1.00 34.54 H new ATOM 0 HA ALA A 8 -10.178 12.916 2.905 1.00 55.21 H new ATOM 0 HB1 ALA A 8 -11.050 11.358 4.617 1.00 11.14 H new ATOM 0 HB2 ALA A 8 -11.837 11.114 3.039 1.00 11.14 H new ATOM 0 HB3 ALA A 8 -10.581 9.981 3.591 1.00 11.14 H new ATOM 145 N ALA A 9 -7.781 10.750 3.548 1.00 71.33 N ATOM 146 CA ALA A 9 -6.517 10.579 4.252 1.00 32.41 C ATOM 147 C ALA A 9 -5.565 11.733 3.959 1.00 20.24 C ATOM 148 O ALA A 9 -4.902 12.249 4.859 1.00 20.52 O ATOM 149 CB ALA A 9 -5.874 9.253 3.869 1.00 44.14 C ATOM 0 H ALA A 9 -8.023 9.981 2.923 1.00 71.33 H new ATOM 0 HA ALA A 9 -6.724 10.575 5.322 1.00 32.41 H new ATOM 0 HB1 ALA A 9 -4.930 9.139 4.402 1.00 44.14 H new ATOM 0 HB2 ALA A 9 -6.543 8.434 4.135 1.00 44.14 H new ATOM 0 HB3 ALA A 9 -5.688 9.236 2.795 1.00 44.14 H new ATOM 155 N LYS A 10 -5.501 12.134 2.694 1.00 34.04 N ATOM 156 CA LYS A 10 -4.630 13.229 2.280 1.00 51.32 C ATOM 157 C LYS A 10 -5.179 14.570 2.756 1.00 13.41 C ATOM 158 O LYS A 10 -4.420 15.490 3.062 1.00 72.04 O ATOM 159 CB LYS A 10 -4.477 13.239 0.758 1.00 4.44 C ATOM 160 CG LYS A 10 -5.783 13.471 0.017 1.00 42.22 C ATOM 161 CD LYS A 10 -5.569 13.533 -1.486 1.00 50.50 C ATOM 162 CE LYS A 10 -4.860 14.816 -1.894 1.00 44.40 C ATOM 163 NZ LYS A 10 -4.692 14.911 -3.371 1.00 63.11 N ATOM 0 H LYS A 10 -6.042 11.717 1.937 1.00 34.04 H new ATOM 0 HA LYS A 10 -3.652 13.075 2.736 1.00 51.32 H new ATOM 0 HB2 LYS A 10 -3.767 14.017 0.478 1.00 4.44 H new ATOM 0 HB3 LYS A 10 -4.051 12.288 0.438 1.00 4.44 H new ATOM 0 HG2 LYS A 10 -6.483 12.670 0.253 1.00 42.22 H new ATOM 0 HG3 LYS A 10 -6.236 14.401 0.359 1.00 42.22 H new ATOM 0 HD2 LYS A 10 -4.981 12.673 -1.807 1.00 50.50 H new ATOM 0 HD3 LYS A 10 -6.531 13.470 -1.995 1.00 50.50 H new ATOM 0 HE2 LYS A 10 -5.429 15.675 -1.537 1.00 44.40 H new ATOM 0 HE3 LYS A 10 -3.882 14.859 -1.414 1.00 44.40 H new ATOM 0 HZ1 LYS A 10 -4.205 15.799 -3.609 1.00 63.11 H new ATOM 0 HZ2 LYS A 10 -4.128 14.105 -3.709 1.00 63.11 H new ATOM 0 HZ3 LYS A 10 -5.626 14.895 -3.828 1.00 63.11 H new ATOM 177 N LEU A 11 -6.502 14.674 2.818 1.00 33.14 N ATOM 178 CA LEU A 11 -7.153 15.903 3.259 1.00 14.32 C ATOM 179 C LEU A 11 -6.632 16.335 4.626 1.00 63.43 C ATOM 180 O LEU A 11 -6.585 17.526 4.936 1.00 71.55 O ATOM 181 CB LEU A 11 -8.669 15.708 3.316 1.00 3.02 C ATOM 182 CG LEU A 11 -9.497 16.627 2.417 1.00 44.10 C ATOM 183 CD1 LEU A 11 -10.983 16.352 2.597 1.00 73.11 C ATOM 184 CD2 LEU A 11 -9.185 18.087 2.714 1.00 22.12 C ATOM 0 H LEU A 11 -7.145 13.922 2.569 1.00 33.14 H new ATOM 0 HA LEU A 11 -6.921 16.687 2.538 1.00 14.32 H new ATOM 0 HB2 LEU A 11 -8.893 14.675 3.050 1.00 3.02 H new ATOM 0 HB3 LEU A 11 -8.995 15.850 4.346 1.00 3.02 H new ATOM 0 HG LEU A 11 -9.232 16.423 1.380 1.00 44.10 H new ATOM 0 HD11 LEU A 11 -11.557 17.015 1.950 1.00 73.11 H new ATOM 0 HD12 LEU A 11 -11.196 15.316 2.335 1.00 73.11 H new ATOM 0 HD13 LEU A 11 -11.262 16.528 3.636 1.00 73.11 H new ATOM 0 HD21 LEU A 11 -9.783 18.726 2.065 1.00 22.12 H new ATOM 0 HD22 LEU A 11 -9.421 18.305 3.756 1.00 22.12 H new ATOM 0 HD23 LEU A 11 -8.127 18.277 2.535 1.00 22.12 H new ATOM 196 N PHE A 12 -6.242 15.360 5.440 1.00 61.15 N ATOM 197 CA PHE A 12 -5.724 15.638 6.774 1.00 52.21 C ATOM 198 C PHE A 12 -4.548 16.608 6.709 1.00 40.33 C ATOM 199 O PHE A 12 -4.325 17.392 7.631 1.00 2.05 O ATOM 200 CB PHE A 12 -5.292 14.339 7.458 1.00 41.40 C ATOM 201 CG PHE A 12 -6.408 13.642 8.182 1.00 64.20 C ATOM 202 CD1 PHE A 12 -7.615 13.395 7.547 1.00 22.24 C ATOM 203 CD2 PHE A 12 -6.252 13.235 9.497 1.00 4.14 C ATOM 204 CE1 PHE A 12 -8.644 12.753 8.209 1.00 4.04 C ATOM 205 CE2 PHE A 12 -7.278 12.593 10.164 1.00 30.20 C ATOM 206 CZ PHE A 12 -8.476 12.352 9.520 1.00 12.43 C ATOM 0 H PHE A 12 -6.275 14.369 5.199 1.00 61.15 H new ATOM 0 HA PHE A 12 -6.521 16.099 7.357 1.00 52.21 H new ATOM 0 HB2 PHE A 12 -4.878 13.664 6.709 1.00 41.40 H new ATOM 0 HB3 PHE A 12 -4.492 14.559 8.165 1.00 41.40 H new ATOM 0 HD1 PHE A 12 -7.753 13.708 6.523 1.00 22.24 H new ATOM 0 HD2 PHE A 12 -5.318 13.422 10.007 1.00 4.14 H new ATOM 0 HE1 PHE A 12 -9.579 12.565 7.702 1.00 4.04 H new ATOM 0 HE2 PHE A 12 -7.143 12.280 11.189 1.00 30.20 H new ATOM 0 HZ PHE A 12 -9.279 11.851 10.040 1.00 12.43 H new ATOM 216 N GLU A 13 -3.797 16.546 5.613 1.00 44.35 N ATOM 217 CA GLU A 13 -2.643 17.418 5.428 1.00 2.10 C ATOM 218 C GLU A 13 -3.083 18.853 5.157 1.00 24.34 C ATOM 219 O GLU A 13 -2.418 19.805 5.564 1.00 62.25 O ATOM 220 CB GLU A 13 -1.774 16.912 4.275 1.00 42.34 C ATOM 221 CG GLU A 13 -0.292 16.868 4.605 1.00 74.52 C ATOM 222 CD GLU A 13 0.329 15.514 4.319 1.00 73.31 C ATOM 223 OE1 GLU A 13 1.285 15.458 3.517 1.00 13.05 O ATOM 224 OE2 GLU A 13 -0.140 14.511 4.896 1.00 51.23 O ATOM 0 H GLU A 13 -3.967 15.902 4.841 1.00 44.35 H new ATOM 0 HA GLU A 13 -2.058 17.404 6.348 1.00 2.10 H new ATOM 0 HB2 GLU A 13 -2.105 15.912 3.993 1.00 42.34 H new ATOM 0 HB3 GLU A 13 -1.926 17.554 3.408 1.00 42.34 H new ATOM 0 HG2 GLU A 13 0.228 17.632 4.027 1.00 74.52 H new ATOM 0 HG3 GLU A 13 -0.150 17.114 5.657 1.00 74.52 H new ATOM 231 N GLU A 14 -4.208 19.000 4.464 1.00 4.03 N ATOM 232 CA GLU A 14 -4.736 20.319 4.136 1.00 64.32 C ATOM 233 C GLU A 14 -4.852 21.186 5.387 1.00 71.12 C ATOM 234 O GLU A 14 -4.535 22.375 5.362 1.00 61.53 O ATOM 235 CB GLU A 14 -6.105 20.193 3.463 1.00 62.43 C ATOM 236 CG GLU A 14 -6.348 21.228 2.378 1.00 30.23 C ATOM 237 CD GLU A 14 -6.940 20.625 1.118 1.00 14.33 C ATOM 238 OE1 GLU A 14 -6.348 19.661 0.588 1.00 11.21 O ATOM 239 OE2 GLU A 14 -7.992 21.118 0.663 1.00 24.02 O ATOM 0 H GLU A 14 -4.771 18.222 4.119 1.00 4.03 H new ATOM 0 HA GLU A 14 -4.041 20.797 3.445 1.00 64.32 H new ATOM 0 HB2 GLU A 14 -6.197 19.197 3.030 1.00 62.43 H new ATOM 0 HB3 GLU A 14 -6.883 20.284 4.221 1.00 62.43 H new ATOM 0 HG2 GLU A 14 -7.020 21.997 2.759 1.00 30.23 H new ATOM 0 HG3 GLU A 14 -5.407 21.720 2.133 1.00 30.23 H new ATOM 246 N TRP A 15 -5.307 20.580 6.478 1.00 33.02 N ATOM 247 CA TRP A 15 -5.464 21.297 7.739 1.00 60.43 C ATOM 248 C TRP A 15 -4.141 21.906 8.188 1.00 60.04 C ATOM 249 O TRP A 15 -4.068 23.094 8.500 1.00 54.25 O ATOM 250 CB TRP A 15 -6.000 20.356 8.820 1.00 30.01 C ATOM 251 CG TRP A 15 -7.193 19.563 8.379 1.00 52.42 C ATOM 252 CD1 TRP A 15 -8.125 19.932 7.452 1.00 23.11 C ATOM 253 CD2 TRP A 15 -7.583 18.268 8.850 1.00 5.34 C ATOM 254 NE1 TRP A 15 -9.072 18.945 7.318 1.00 1.22 N ATOM 255 CE2 TRP A 15 -8.762 17.914 8.164 1.00 32.10 C ATOM 256 CE3 TRP A 15 -7.052 17.374 9.782 1.00 11.10 C ATOM 257 CZ2 TRP A 15 -9.414 16.704 8.383 1.00 51.13 C ATOM 258 CZ3 TRP A 15 -7.701 16.173 9.999 1.00 1.31 C ATOM 259 CH2 TRP A 15 -8.872 15.847 9.302 1.00 31.43 C ATOM 0 H TRP A 15 -5.573 19.596 6.515 1.00 33.02 H new ATOM 0 HA TRP A 15 -6.179 22.105 7.583 1.00 60.43 H new ATOM 0 HB2 TRP A 15 -5.208 19.670 9.120 1.00 30.01 H new ATOM 0 HB3 TRP A 15 -6.266 20.940 9.701 1.00 30.01 H new ATOM 0 HD1 TRP A 15 -8.119 20.863 6.904 1.00 23.11 H new ATOM 0 HE1 TRP A 15 -9.875 18.976 6.690 1.00 1.22 H new ATOM 0 HE3 TRP A 15 -6.150 17.617 10.324 1.00 11.10 H new ATOM 0 HZ2 TRP A 15 -10.316 16.450 7.846 1.00 51.13 H new ATOM 0 HZ3 TRP A 15 -7.299 15.474 10.718 1.00 1.31 H new ATOM 0 HH2 TRP A 15 -9.356 14.901 9.494 1.00 31.43 H new ATOM 270 N LYS A 16 -3.097 21.085 8.218 1.00 51.12 N ATOM 271 CA LYS A 16 -1.774 21.543 8.627 1.00 42.33 C ATOM 272 C LYS A 16 -1.189 22.505 7.599 1.00 22.02 C ATOM 273 O LYS A 16 -0.390 23.380 7.935 1.00 61.41 O ATOM 274 CB LYS A 16 -0.835 20.350 8.818 1.00 34.12 C ATOM 275 CG LYS A 16 0.616 20.746 9.036 1.00 45.51 C ATOM 276 CD LYS A 16 1.451 20.512 7.790 1.00 22.14 C ATOM 277 CE LYS A 16 2.746 21.310 7.829 1.00 44.12 C ATOM 278 NZ LYS A 16 3.742 20.798 6.848 1.00 33.41 N ATOM 0 H LYS A 16 -3.141 20.098 7.964 1.00 51.12 H new ATOM 0 HA LYS A 16 -1.877 22.071 9.575 1.00 42.33 H new ATOM 0 HB2 LYS A 16 -1.175 19.764 9.672 1.00 34.12 H new ATOM 0 HB3 LYS A 16 -0.899 19.704 7.942 1.00 34.12 H new ATOM 0 HG2 LYS A 16 0.669 21.798 9.318 1.00 45.51 H new ATOM 0 HG3 LYS A 16 1.030 20.172 9.865 1.00 45.51 H new ATOM 0 HD2 LYS A 16 1.679 19.450 7.698 1.00 22.14 H new ATOM 0 HD3 LYS A 16 0.876 20.792 6.907 1.00 22.14 H new ATOM 0 HE2 LYS A 16 2.533 22.358 7.618 1.00 44.12 H new ATOM 0 HE3 LYS A 16 3.169 21.267 8.833 1.00 44.12 H new ATOM 0 HZ1 LYS A 16 4.610 21.368 6.905 1.00 33.41 H new ATOM 0 HZ2 LYS A 16 3.964 19.805 7.065 1.00 33.41 H new ATOM 0 HZ3 LYS A 16 3.348 20.863 5.888 1.00 33.41 H new ATOM 292 N LYS A 17 -1.593 22.340 6.344 1.00 14.11 N ATOM 293 CA LYS A 17 -1.112 23.195 5.265 1.00 74.42 C ATOM 294 C LYS A 17 -1.370 24.665 5.580 1.00 3.21 C ATOM 295 O LYS A 17 -0.462 25.494 5.508 1.00 2.11 O ATOM 296 CB LYS A 17 -1.789 22.818 3.946 1.00 50.24 C ATOM 297 CG LYS A 17 -1.005 23.242 2.716 1.00 3.31 C ATOM 298 CD LYS A 17 -1.151 22.236 1.588 1.00 75.42 C ATOM 299 CE LYS A 17 -2.396 22.503 0.758 1.00 63.33 C ATOM 300 NZ LYS A 17 -2.075 23.214 -0.511 1.00 53.40 N ATOM 0 H LYS A 17 -2.253 21.621 6.049 1.00 14.11 H new ATOM 0 HA LYS A 17 -0.037 23.045 5.169 1.00 74.42 H new ATOM 0 HB2 LYS A 17 -1.936 21.738 3.918 1.00 50.24 H new ATOM 0 HB3 LYS A 17 -2.778 23.275 3.911 1.00 50.24 H new ATOM 0 HG2 LYS A 17 -1.353 24.219 2.381 1.00 3.31 H new ATOM 0 HG3 LYS A 17 0.048 23.350 2.974 1.00 3.31 H new ATOM 0 HD2 LYS A 17 -0.270 22.277 0.947 1.00 75.42 H new ATOM 0 HD3 LYS A 17 -1.198 21.229 2.002 1.00 75.42 H new ATOM 0 HE2 LYS A 17 -2.890 21.558 0.530 1.00 63.33 H new ATOM 0 HE3 LYS A 17 -3.100 23.098 1.340 1.00 63.33 H new ATOM 0 HZ1 LYS A 17 -2.950 23.377 -1.048 1.00 53.40 H new ATOM 0 HZ2 LYS A 17 -1.627 24.127 -0.294 1.00 53.40 H new ATOM 0 HZ3 LYS A 17 -1.424 22.635 -1.078 1.00 53.40 H new ATOM 314 N LEU A 18 -2.612 24.980 5.930 1.00 11.15 N ATOM 315 CA LEU A 18 -2.990 26.351 6.257 1.00 34.53 C ATOM 316 C LEU A 18 -2.484 26.740 7.642 1.00 74.34 C ATOM 317 O LEU A 18 -2.145 27.896 7.889 1.00 5.33 O ATOM 318 CB LEU A 18 -4.510 26.512 6.193 1.00 74.22 C ATOM 319 CG LEU A 18 -5.092 26.845 4.820 1.00 61.53 C ATOM 320 CD1 LEU A 18 -4.555 28.176 4.320 1.00 32.13 C ATOM 321 CD2 LEU A 18 -4.782 25.735 3.826 1.00 23.43 C ATOM 0 H LEU A 18 -3.374 24.305 5.995 1.00 11.15 H new ATOM 0 HA LEU A 18 -2.530 27.013 5.523 1.00 34.53 H new ATOM 0 HB2 LEU A 18 -4.968 25.588 6.545 1.00 74.22 H new ATOM 0 HB3 LEU A 18 -4.802 27.298 6.889 1.00 74.22 H new ATOM 0 HG LEU A 18 -6.175 26.928 4.916 1.00 61.53 H new ATOM 0 HD11 LEU A 18 -4.981 28.396 3.341 1.00 32.13 H new ATOM 0 HD12 LEU A 18 -4.829 28.965 5.020 1.00 32.13 H new ATOM 0 HD13 LEU A 18 -3.469 28.123 4.240 1.00 32.13 H new ATOM 0 HD21 LEU A 18 -5.204 25.989 2.854 1.00 23.43 H new ATOM 0 HD22 LEU A 18 -3.702 25.620 3.734 1.00 23.43 H new ATOM 0 HD23 LEU A 18 -5.218 24.800 4.177 1.00 23.43 H new ATOM 333 N ALA A 19 -2.433 25.763 8.543 1.00 31.51 N ATOM 334 CA ALA A 19 -1.964 26.002 9.902 1.00 75.42 C ATOM 335 C ALA A 19 -0.502 26.436 9.911 1.00 23.21 C ATOM 336 O ALA A 19 -0.122 27.352 10.639 1.00 72.00 O ATOM 337 CB ALA A 19 -2.149 24.753 10.751 1.00 42.21 C ATOM 0 H ALA A 19 -2.711 24.800 8.356 1.00 31.51 H new ATOM 0 HA ALA A 19 -2.559 26.810 10.327 1.00 75.42 H new ATOM 0 HB1 ALA A 19 -1.795 24.946 11.764 1.00 42.21 H new ATOM 0 HB2 ALA A 19 -3.206 24.487 10.781 1.00 42.21 H new ATOM 0 HB3 ALA A 19 -1.580 23.931 10.318 1.00 42.21 H new ATOM 343 N GLU A 20 0.313 25.772 9.096 1.00 41.51 N ATOM 344 CA GLU A 20 1.734 26.090 9.012 1.00 44.53 C ATOM 345 C GLU A 20 1.943 27.507 8.487 1.00 33.31 C ATOM 346 O GLU A 20 2.763 28.259 9.013 1.00 53.01 O ATOM 347 CB GLU A 20 2.451 25.087 8.107 1.00 24.32 C ATOM 348 CG GLU A 20 3.855 24.743 8.572 1.00 73.22 C ATOM 349 CD GLU A 20 3.872 24.073 9.932 1.00 41.22 C ATOM 350 OE1 GLU A 20 2.792 23.656 10.401 1.00 23.14 O ATOM 351 OE2 GLU A 20 4.964 23.966 10.529 1.00 22.01 O ATOM 0 H GLU A 20 0.014 25.012 8.485 1.00 41.51 H new ATOM 0 HA GLU A 20 2.155 26.027 10.015 1.00 44.53 H new ATOM 0 HB2 GLU A 20 1.861 24.172 8.054 1.00 24.32 H new ATOM 0 HB3 GLU A 20 2.501 25.493 7.097 1.00 24.32 H new ATOM 0 HG2 GLU A 20 4.325 24.085 7.841 1.00 73.22 H new ATOM 0 HG3 GLU A 20 4.453 25.653 8.612 1.00 73.22 H new ATOM 358 N GLU A 21 1.197 27.862 7.446 1.00 32.05 N ATOM 359 CA GLU A 21 1.303 29.188 6.847 1.00 10.52 C ATOM 360 C GLU A 21 0.868 30.267 7.835 1.00 62.11 C ATOM 361 O GLU A 21 1.380 31.386 7.816 1.00 72.42 O ATOM 362 CB GLU A 21 0.452 29.269 5.578 1.00 12.40 C ATOM 363 CG GLU A 21 1.173 29.906 4.403 1.00 31.52 C ATOM 364 CD GLU A 21 0.487 29.629 3.079 1.00 10.35 C ATOM 365 OE1 GLU A 21 -0.758 29.525 3.067 1.00 11.02 O ATOM 366 OE2 GLU A 21 1.193 29.518 2.055 1.00 1.35 O ATOM 0 H GLU A 21 0.513 27.251 7.000 1.00 32.05 H new ATOM 0 HA GLU A 21 2.347 29.358 6.586 1.00 10.52 H new ATOM 0 HB2 GLU A 21 0.135 28.264 5.298 1.00 12.40 H new ATOM 0 HB3 GLU A 21 -0.452 29.840 5.792 1.00 12.40 H new ATOM 0 HG2 GLU A 21 1.233 30.983 4.559 1.00 31.52 H new ATOM 0 HG3 GLU A 21 2.196 29.532 4.363 1.00 31.52 H new ATOM 373 N ALA A 22 -0.083 29.921 8.698 1.00 24.14 N ATOM 374 CA ALA A 22 -0.587 30.858 9.694 1.00 0.53 C ATOM 375 C ALA A 22 0.487 31.198 10.722 1.00 22.32 C ATOM 376 O ALA A 22 0.524 32.309 11.250 1.00 33.54 O ATOM 377 CB ALA A 22 -1.817 30.285 10.383 1.00 30.23 C ATOM 0 H ALA A 22 -0.519 28.999 8.727 1.00 24.14 H new ATOM 0 HA ALA A 22 -0.866 31.779 9.182 1.00 0.53 H new ATOM 0 HB1 ALA A 22 -2.183 30.995 11.124 1.00 30.23 H new ATOM 0 HB2 ALA A 22 -2.595 30.100 9.643 1.00 30.23 H new ATOM 0 HB3 ALA A 22 -1.555 29.349 10.876 1.00 30.23 H new ATOM 383 N ALA A 23 1.357 30.233 11.003 1.00 22.54 N ATOM 384 CA ALA A 23 2.433 30.431 11.966 1.00 42.13 C ATOM 385 C ALA A 23 3.427 31.476 11.471 1.00 41.23 C ATOM 386 O ALA A 23 4.017 32.210 12.264 1.00 53.14 O ATOM 387 CB ALA A 23 3.141 29.114 12.243 1.00 74.53 C ATOM 0 H ALA A 23 1.337 29.306 10.577 1.00 22.54 H new ATOM 0 HA ALA A 23 1.995 30.797 12.894 1.00 42.13 H new ATOM 0 HB1 ALA A 23 3.942 29.276 12.964 1.00 74.53 H new ATOM 0 HB2 ALA A 23 2.428 28.396 12.648 1.00 74.53 H new ATOM 0 HB3 ALA A 23 3.561 28.724 11.316 1.00 74.53 H new ATOM 393 N LYS A 24 3.610 31.537 10.157 1.00 41.24 N ATOM 394 CA LYS A 24 4.532 32.492 9.556 1.00 33.40 C ATOM 395 C LYS A 24 3.957 33.904 9.594 1.00 53.34 C ATOM 396 O LYS A 24 4.694 34.883 9.722 1.00 24.43 O ATOM 397 CB LYS A 24 4.840 32.094 8.110 1.00 12.12 C ATOM 398 CG LYS A 24 6.229 32.502 7.650 1.00 53.14 C ATOM 399 CD LYS A 24 6.317 32.569 6.135 1.00 15.24 C ATOM 400 CE LYS A 24 7.549 33.339 5.681 1.00 42.12 C ATOM 401 NZ LYS A 24 8.802 32.753 6.233 1.00 21.42 N ATOM 0 H LYS A 24 3.131 30.935 9.487 1.00 41.24 H new ATOM 0 HA LYS A 24 5.455 32.480 10.135 1.00 33.40 H new ATOM 0 HB2 LYS A 24 4.736 31.014 8.009 1.00 12.12 H new ATOM 0 HB3 LYS A 24 4.100 32.549 7.451 1.00 12.12 H new ATOM 0 HG2 LYS A 24 6.483 33.474 8.073 1.00 53.14 H new ATOM 0 HG3 LYS A 24 6.962 31.789 8.027 1.00 53.14 H new ATOM 0 HD2 LYS A 24 6.347 31.559 5.726 1.00 15.24 H new ATOM 0 HD3 LYS A 24 5.421 33.047 5.738 1.00 15.24 H new ATOM 0 HE2 LYS A 24 7.597 33.339 4.592 1.00 42.12 H new ATOM 0 HE3 LYS A 24 7.464 34.379 5.996 1.00 42.12 H new ATOM 0 HZ1 LYS A 24 9.623 33.181 5.760 1.00 21.42 H new ATOM 0 HZ2 LYS A 24 8.853 32.942 7.254 1.00 21.42 H new ATOM 0 HZ3 LYS A 24 8.806 31.726 6.071 1.00 21.42 H new ATOM 415 N LEU A 25 2.636 34.002 9.485 1.00 12.40 N ATOM 416 CA LEU A 25 1.961 35.295 9.509 1.00 31.22 C ATOM 417 C LEU A 25 1.946 35.875 10.920 1.00 4.31 C ATOM 418 O LEU A 25 1.983 37.093 11.103 1.00 25.33 O ATOM 419 CB LEU A 25 0.530 35.154 8.988 1.00 21.23 C ATOM 420 CG LEU A 25 0.313 35.518 7.518 1.00 4.00 C ATOM 421 CD1 LEU A 25 0.448 37.019 7.314 1.00 11.02 C ATOM 422 CD2 LEU A 25 1.294 34.766 6.632 1.00 33.10 C ATOM 0 H LEU A 25 2.012 33.202 9.379 1.00 12.40 H new ATOM 0 HA LEU A 25 2.512 35.977 8.861 1.00 31.22 H new ATOM 0 HB2 LEU A 25 0.210 34.123 9.138 1.00 21.23 H new ATOM 0 HB3 LEU A 25 -0.121 35.781 9.597 1.00 21.23 H new ATOM 0 HG LEU A 25 -0.698 35.224 7.236 1.00 4.00 H new ATOM 0 HD11 LEU A 25 0.290 37.259 6.262 1.00 11.02 H new ATOM 0 HD12 LEU A 25 -0.296 37.537 7.920 1.00 11.02 H new ATOM 0 HD13 LEU A 25 1.446 37.339 7.613 1.00 11.02 H new ATOM 0 HD21 LEU A 25 1.125 35.037 5.590 1.00 33.10 H new ATOM 0 HD22 LEU A 25 2.314 35.028 6.914 1.00 33.10 H new ATOM 0 HD23 LEU A 25 1.147 33.693 6.756 1.00 33.10 H new ATOM 434 N LEU A 26 1.892 34.997 11.914 1.00 53.03 N ATOM 435 CA LEU A 26 1.874 35.421 13.310 1.00 62.20 C ATOM 436 C LEU A 26 3.269 35.832 13.772 1.00 42.52 C ATOM 437 O LEU A 26 3.416 36.638 14.690 1.00 24.42 O ATOM 438 CB LEU A 26 1.341 34.297 14.199 1.00 62.32 C ATOM 439 CG LEU A 26 1.410 34.543 15.707 1.00 65.45 C ATOM 440 CD1 LEU A 26 0.203 33.932 16.403 1.00 1.23 C ATOM 441 CD2 LEU A 26 2.701 33.977 16.281 1.00 62.22 C ATOM 0 H LEU A 26 1.860 33.986 11.780 1.00 53.03 H new ATOM 0 HA LEU A 26 1.214 36.285 13.393 1.00 62.20 H new ATOM 0 HB2 LEU A 26 0.302 34.109 13.929 1.00 62.32 H new ATOM 0 HB3 LEU A 26 1.898 33.388 13.974 1.00 62.32 H new ATOM 0 HG LEU A 26 1.399 35.619 15.881 1.00 65.45 H new ATOM 0 HD11 LEU A 26 0.269 34.117 17.475 1.00 1.23 H new ATOM 0 HD12 LEU A 26 -0.709 34.383 16.013 1.00 1.23 H new ATOM 0 HD13 LEU A 26 0.183 32.858 16.221 1.00 1.23 H new ATOM 0 HD21 LEU A 26 2.733 34.161 17.355 1.00 62.22 H new ATOM 0 HD22 LEU A 26 2.742 32.904 16.095 1.00 62.22 H new ATOM 0 HD23 LEU A 26 3.554 34.460 15.804 1.00 62.22 H new ATOM 453 N GLU A 27 4.288 35.272 13.129 1.00 71.00 N ATOM 454 CA GLU A 27 5.672 35.582 13.473 1.00 4.43 C ATOM 455 C GLU A 27 6.081 36.941 12.911 1.00 41.34 C ATOM 456 O GLU A 27 6.962 37.608 13.452 1.00 11.04 O ATOM 457 CB GLU A 27 6.608 34.495 12.944 1.00 73.22 C ATOM 458 CG GLU A 27 6.657 33.253 13.818 1.00 10.03 C ATOM 459 CD GLU A 27 7.445 32.124 13.184 1.00 43.23 C ATOM 460 OE1 GLU A 27 8.682 32.256 13.071 1.00 65.31 O ATOM 461 OE2 GLU A 27 6.826 31.109 12.803 1.00 62.33 O ATOM 0 H GLU A 27 4.182 34.602 12.367 1.00 71.00 H new ATOM 0 HA GLU A 27 5.750 35.620 14.560 1.00 4.43 H new ATOM 0 HB2 GLU A 27 6.290 34.210 11.941 1.00 73.22 H new ATOM 0 HB3 GLU A 27 7.614 34.906 12.855 1.00 73.22 H new ATOM 0 HG2 GLU A 27 7.103 33.507 14.779 1.00 10.03 H new ATOM 0 HG3 GLU A 27 5.641 32.914 14.018 1.00 10.03 H new ATOM 468 N GLY A 28 5.434 37.343 11.821 1.00 54.25 N ATOM 469 CA GLY A 28 5.744 38.619 11.203 1.00 72.54 C ATOM 470 C GLY A 28 6.793 38.496 10.116 1.00 73.33 C ATOM 471 O GLY A 28 7.522 39.446 9.837 1.00 0.15 O ATOM 0 H GLY A 28 4.701 36.808 11.355 1.00 54.25 H new ATOM 0 HA2 GLY A 28 4.834 39.045 10.779 1.00 72.54 H new ATOM 0 HA3 GLY A 28 6.096 39.313 11.966 1.00 72.54 H new ATOM 524 N GLU A 36 4.745 32.331 22.899 1.00 70.43 N ATOM 525 CA GLU A 36 3.638 31.402 23.097 1.00 12.15 C ATOM 526 C GLU A 36 2.649 31.481 21.938 1.00 60.24 C ATOM 527 O GLU A 36 2.030 30.483 21.566 1.00 54.04 O ATOM 528 CB GLU A 36 2.922 31.703 24.415 1.00 21.43 C ATOM 529 CG GLU A 36 1.641 30.908 24.606 1.00 12.23 C ATOM 530 CD GLU A 36 1.037 31.099 25.984 1.00 51.03 C ATOM 531 OE1 GLU A 36 1.439 32.054 26.681 1.00 24.33 O ATOM 532 OE2 GLU A 36 0.163 30.293 26.366 1.00 23.23 O ATOM 0 HA GLU A 36 4.046 30.392 23.136 1.00 12.15 H new ATOM 0 HB2 GLU A 36 3.598 31.491 25.243 1.00 21.43 H new ATOM 0 HB3 GLU A 36 2.689 32.767 24.458 1.00 21.43 H new ATOM 0 HG2 GLU A 36 0.915 31.208 23.850 1.00 12.23 H new ATOM 0 HG3 GLU A 36 1.847 29.850 24.447 1.00 12.23 H new ATOM 539 N LEU A 37 2.504 32.673 21.371 1.00 42.10 N ATOM 540 CA LEU A 37 1.589 32.883 20.254 1.00 55.41 C ATOM 541 C LEU A 37 1.905 31.931 19.106 1.00 65.22 C ATOM 542 O LEU A 37 1.013 31.528 18.358 1.00 34.23 O ATOM 543 CB LEU A 37 1.671 34.332 19.768 1.00 42.22 C ATOM 544 CG LEU A 37 0.471 35.219 20.098 1.00 40.21 C ATOM 545 CD1 LEU A 37 -0.771 34.733 19.367 1.00 32.11 C ATOM 546 CD2 LEU A 37 0.229 35.252 21.600 1.00 74.30 C ATOM 0 H LEU A 37 3.008 33.509 21.666 1.00 42.10 H new ATOM 0 HA LEU A 37 0.576 32.680 20.602 1.00 55.41 H new ATOM 0 HB2 LEU A 37 2.563 34.788 20.197 1.00 42.22 H new ATOM 0 HB3 LEU A 37 1.805 34.324 18.686 1.00 42.22 H new ATOM 0 HG LEU A 37 0.691 36.233 19.763 1.00 40.21 H new ATOM 0 HD11 LEU A 37 -1.615 35.377 19.615 1.00 32.11 H new ATOM 0 HD12 LEU A 37 -0.595 34.763 18.292 1.00 32.11 H new ATOM 0 HD13 LEU A 37 -0.995 33.710 19.670 1.00 32.11 H new ATOM 0 HD21 LEU A 37 -0.629 35.888 21.816 1.00 74.30 H new ATOM 0 HD22 LEU A 37 0.031 34.242 21.959 1.00 74.30 H new ATOM 0 HD23 LEU A 37 1.111 35.649 22.102 1.00 74.30 H new ATOM 558 N MET A 38 3.177 31.573 18.973 1.00 62.20 N ATOM 559 CA MET A 38 3.609 30.664 17.917 1.00 14.10 C ATOM 560 C MET A 38 3.233 29.224 18.252 1.00 34.03 C ATOM 561 O MET A 38 2.943 28.424 17.362 1.00 52.53 O ATOM 562 CB MET A 38 5.121 30.774 17.707 1.00 2.34 C ATOM 563 CG MET A 38 5.617 32.207 17.606 1.00 35.35 C ATOM 564 SD MET A 38 7.387 32.306 17.276 1.00 14.44 S ATOM 565 CE MET A 38 7.707 34.026 17.660 1.00 0.13 C ATOM 0 H MET A 38 3.927 31.898 19.583 1.00 62.20 H new ATOM 0 HA MET A 38 3.100 30.948 16.996 1.00 14.10 H new ATOM 0 HB2 MET A 38 5.631 30.279 18.533 1.00 2.34 H new ATOM 0 HB3 MET A 38 5.393 30.239 16.797 1.00 2.34 H new ATOM 0 HG2 MET A 38 5.074 32.721 16.813 1.00 35.35 H new ATOM 0 HG3 MET A 38 5.394 32.731 18.535 1.00 35.35 H new ATOM 0 HE1 MET A 38 8.764 34.243 17.504 1.00 0.13 H new ATOM 0 HE2 MET A 38 7.106 34.662 17.010 1.00 0.13 H new ATOM 0 HE3 MET A 38 7.446 34.221 18.700 1.00 0.13 H new ATOM 575 N LYS A 39 3.243 28.899 19.540 1.00 0.14 N ATOM 576 CA LYS A 39 2.903 27.556 19.994 1.00 21.22 C ATOM 577 C LYS A 39 1.398 27.318 19.909 1.00 34.42 C ATOM 578 O LYS A 39 0.949 26.194 19.681 1.00 71.34 O ATOM 579 CB LYS A 39 3.382 27.344 21.432 1.00 35.54 C ATOM 580 CG LYS A 39 4.821 27.774 21.662 1.00 60.31 C ATOM 581 CD LYS A 39 5.627 26.682 22.346 1.00 51.34 C ATOM 582 CE LYS A 39 5.194 26.493 23.792 1.00 15.15 C ATOM 583 NZ LYS A 39 6.230 26.974 24.747 1.00 54.25 N ATOM 0 H LYS A 39 3.483 29.548 20.289 1.00 0.14 H new ATOM 0 HA LYS A 39 3.405 26.841 19.341 1.00 21.22 H new ATOM 0 HB2 LYS A 39 2.733 27.900 22.108 1.00 35.54 H new ATOM 0 HB3 LYS A 39 3.281 26.289 21.688 1.00 35.54 H new ATOM 0 HG2 LYS A 39 5.284 28.025 20.708 1.00 60.31 H new ATOM 0 HG3 LYS A 39 4.839 28.677 22.272 1.00 60.31 H new ATOM 0 HD2 LYS A 39 5.506 25.745 21.803 1.00 51.34 H new ATOM 0 HD3 LYS A 39 6.687 26.935 22.312 1.00 51.34 H new ATOM 0 HE2 LYS A 39 4.262 27.031 23.966 1.00 15.15 H new ATOM 0 HE3 LYS A 39 4.992 25.438 23.976 1.00 15.15 H new ATOM 0 HZ1 LYS A 39 5.898 26.828 25.722 1.00 54.25 H new ATOM 0 HZ2 LYS A 39 7.112 26.443 24.599 1.00 54.25 H new ATOM 0 HZ3 LYS A 39 6.405 27.987 24.589 1.00 54.25 H new ATOM 597 N LEU A 40 0.624 28.382 20.091 1.00 33.43 N ATOM 598 CA LEU A 40 -0.831 28.289 20.033 1.00 32.03 C ATOM 599 C LEU A 40 -1.288 27.739 18.685 1.00 52.54 C ATOM 600 O LEU A 40 -2.102 26.816 18.624 1.00 54.20 O ATOM 601 CB LEU A 40 -1.459 29.662 20.276 1.00 12.34 C ATOM 602 CG LEU A 40 -2.126 29.864 21.638 1.00 63.54 C ATOM 603 CD1 LEU A 40 -3.375 29.004 21.752 1.00 61.41 C ATOM 604 CD2 LEU A 40 -1.151 29.543 22.761 1.00 44.51 C ATOM 0 H LEU A 40 0.979 29.319 20.280 1.00 33.43 H new ATOM 0 HA LEU A 40 -1.158 27.603 20.814 1.00 32.03 H new ATOM 0 HB2 LEU A 40 -0.684 30.420 20.157 1.00 12.34 H new ATOM 0 HB3 LEU A 40 -2.203 29.842 19.500 1.00 12.34 H new ATOM 0 HG LEU A 40 -2.420 30.910 21.727 1.00 63.54 H new ATOM 0 HD11 LEU A 40 -3.837 29.160 22.727 1.00 61.41 H new ATOM 0 HD12 LEU A 40 -4.080 29.281 20.968 1.00 61.41 H new ATOM 0 HD13 LEU A 40 -3.105 27.954 21.643 1.00 61.41 H new ATOM 0 HD21 LEU A 40 -1.642 29.692 23.723 1.00 44.51 H new ATOM 0 HD22 LEU A 40 -0.827 28.506 22.676 1.00 44.51 H new ATOM 0 HD23 LEU A 40 -0.285 30.201 22.690 1.00 44.51 H new ATOM 616 N CYS A 41 -0.759 28.310 17.609 1.00 52.24 N ATOM 617 CA CYS A 41 -1.111 27.876 16.262 1.00 71.22 C ATOM 618 C CYS A 41 -0.502 26.512 15.954 1.00 31.22 C ATOM 619 O CYS A 41 -1.118 25.684 15.283 1.00 35.03 O ATOM 620 CB CYS A 41 -0.639 28.903 15.233 1.00 5.15 C ATOM 621 SG CYS A 41 -1.981 29.791 14.407 1.00 63.03 S ATOM 0 H CYS A 41 -0.085 29.075 17.643 1.00 52.24 H new ATOM 0 HA CYS A 41 -2.196 27.790 16.207 1.00 71.22 H new ATOM 0 HB2 CYS A 41 0.010 29.626 15.728 1.00 5.15 H new ATOM 0 HB3 CYS A 41 -0.036 28.396 14.480 1.00 5.15 H new ATOM 0 HG CYS A 41 -1.482 30.639 13.557 1.00 63.03 H new ATOM 627 N GLU A 42 0.712 26.287 16.446 1.00 32.30 N ATOM 628 CA GLU A 42 1.405 25.024 16.220 1.00 20.22 C ATOM 629 C GLU A 42 0.681 23.873 16.914 1.00 5.23 C ATOM 630 O GLU A 42 0.715 22.735 16.448 1.00 11.12 O ATOM 631 CB GLU A 42 2.847 25.111 16.724 1.00 73.22 C ATOM 632 CG GLU A 42 3.712 23.935 16.301 1.00 32.33 C ATOM 633 CD GLU A 42 5.195 24.239 16.394 1.00 64.24 C ATOM 634 OE1 GLU A 42 5.559 25.433 16.369 1.00 24.24 O ATOM 635 OE2 GLU A 42 5.992 23.282 16.493 1.00 70.33 O ATOM 0 H GLU A 42 1.236 26.962 17.003 1.00 32.30 H new ATOM 0 HA GLU A 42 1.413 24.831 15.147 1.00 20.22 H new ATOM 0 HB2 GLU A 42 3.297 26.033 16.356 1.00 73.22 H new ATOM 0 HB3 GLU A 42 2.839 25.173 17.812 1.00 73.22 H new ATOM 0 HG2 GLU A 42 3.481 23.074 16.929 1.00 32.33 H new ATOM 0 HG3 GLU A 42 3.465 23.657 15.276 1.00 32.33 H new ATOM 642 N GLU A 43 0.027 24.181 18.030 1.00 62.41 N ATOM 643 CA GLU A 43 -0.704 23.173 18.788 1.00 31.30 C ATOM 644 C GLU A 43 -1.694 22.431 17.894 1.00 4.44 C ATOM 645 O GLU A 43 -1.797 21.206 17.945 1.00 15.32 O ATOM 646 CB GLU A 43 -1.444 23.821 19.960 1.00 21.13 C ATOM 647 CG GLU A 43 -1.371 23.015 21.246 1.00 3.41 C ATOM 648 CD GLU A 43 0.008 23.045 21.876 1.00 53.20 C ATOM 649 OE1 GLU A 43 0.678 24.096 21.788 1.00 64.00 O ATOM 650 OE2 GLU A 43 0.418 22.019 22.456 1.00 73.33 O ATOM 0 H GLU A 43 -0.011 25.119 18.428 1.00 62.41 H new ATOM 0 HA GLU A 43 0.017 22.454 19.176 1.00 31.30 H new ATOM 0 HB2 GLU A 43 -1.027 24.812 20.138 1.00 21.13 H new ATOM 0 HB3 GLU A 43 -2.490 23.959 19.687 1.00 21.13 H new ATOM 0 HG2 GLU A 43 -2.100 23.405 21.957 1.00 3.41 H new ATOM 0 HG3 GLU A 43 -1.649 21.982 21.039 1.00 3.41 H new ATOM 657 N ALA A 44 -2.423 23.185 17.076 1.00 75.01 N ATOM 658 CA ALA A 44 -3.404 22.600 16.170 1.00 15.55 C ATOM 659 C ALA A 44 -2.739 21.649 15.182 1.00 62.01 C ATOM 660 O ALA A 44 -3.193 20.520 14.993 1.00 21.35 O ATOM 661 CB ALA A 44 -4.154 23.697 15.428 1.00 64.42 C ATOM 0 H ALA A 44 -2.352 24.201 17.023 1.00 75.01 H new ATOM 0 HA ALA A 44 -4.115 22.025 16.763 1.00 15.55 H new ATOM 0 HB1 ALA A 44 -4.884 23.247 14.755 1.00 64.42 H new ATOM 0 HB2 ALA A 44 -4.668 24.336 16.146 1.00 64.42 H new ATOM 0 HB3 ALA A 44 -3.448 24.294 14.851 1.00 64.42 H new ATOM 667 N ALA A 45 -1.663 22.110 14.555 1.00 20.44 N ATOM 668 CA ALA A 45 -0.936 21.299 13.586 1.00 31.21 C ATOM 669 C ALA A 45 -0.334 20.063 14.248 1.00 4.14 C ATOM 670 O ALA A 45 -0.121 19.040 13.598 1.00 23.45 O ATOM 671 CB ALA A 45 0.153 22.124 12.917 1.00 3.24 C ATOM 0 H ALA A 45 -1.275 23.042 14.701 1.00 20.44 H new ATOM 0 HA ALA A 45 -1.642 20.966 12.825 1.00 31.21 H new ATOM 0 HB1 ALA A 45 0.687 21.505 12.196 1.00 3.24 H new ATOM 0 HB2 ALA A 45 -0.298 22.973 12.403 1.00 3.24 H new ATOM 0 HB3 ALA A 45 0.851 22.486 13.672 1.00 3.24 H new ATOM 677 N LYS A 46 -0.060 20.166 15.544 1.00 0.03 N ATOM 678 CA LYS A 46 0.516 19.058 16.294 1.00 73.55 C ATOM 679 C LYS A 46 -0.506 17.944 16.492 1.00 71.22 C ATOM 680 O LYS A 46 -0.166 16.760 16.453 1.00 4.31 O ATOM 681 CB LYS A 46 1.026 19.545 17.653 1.00 61.01 C ATOM 682 CG LYS A 46 1.781 18.485 18.436 1.00 63.43 C ATOM 683 CD LYS A 46 1.282 18.387 19.867 1.00 44.23 C ATOM 684 CE LYS A 46 2.395 17.977 20.819 1.00 61.31 C ATOM 685 NZ LYS A 46 2.241 18.610 22.158 1.00 72.15 N ATOM 0 H LYS A 46 -0.228 21.007 16.097 1.00 0.03 H new ATOM 0 HA LYS A 46 1.353 18.660 15.720 1.00 73.55 H new ATOM 0 HB2 LYS A 46 1.678 20.405 17.500 1.00 61.01 H new ATOM 0 HB3 LYS A 46 0.179 19.889 18.247 1.00 61.01 H new ATOM 0 HG2 LYS A 46 1.669 17.519 17.944 1.00 63.43 H new ATOM 0 HG3 LYS A 46 2.845 18.721 18.436 1.00 63.43 H new ATOM 0 HD2 LYS A 46 0.872 19.348 20.177 1.00 44.23 H new ATOM 0 HD3 LYS A 46 0.470 17.662 19.921 1.00 44.23 H new ATOM 0 HE2 LYS A 46 2.398 16.892 20.928 1.00 61.31 H new ATOM 0 HE3 LYS A 46 3.359 18.257 20.393 1.00 61.31 H new ATOM 0 HZ1 LYS A 46 3.019 18.305 22.777 1.00 72.15 H new ATOM 0 HZ2 LYS A 46 2.263 19.645 22.057 1.00 72.15 H new ATOM 0 HZ3 LYS A 46 1.333 18.322 22.576 1.00 72.15 H new ATOM 699 N LYS A 47 -1.760 18.329 16.704 1.00 63.54 N ATOM 700 CA LYS A 47 -2.834 17.363 16.906 1.00 25.42 C ATOM 701 C LYS A 47 -3.110 16.581 15.625 1.00 35.31 C ATOM 702 O LYS A 47 -3.509 15.417 15.671 1.00 15.03 O ATOM 703 CB LYS A 47 -4.108 18.075 17.364 1.00 25.00 C ATOM 704 CG LYS A 47 -4.417 17.880 18.839 1.00 34.31 C ATOM 705 CD LYS A 47 -4.061 19.115 19.651 1.00 65.20 C ATOM 706 CE LYS A 47 -3.284 18.751 20.906 1.00 72.25 C ATOM 707 NZ LYS A 47 -3.631 19.639 22.050 1.00 34.33 N ATOM 0 H LYS A 47 -2.058 19.304 16.740 1.00 63.54 H new ATOM 0 HA LYS A 47 -2.518 16.662 17.679 1.00 25.42 H new ATOM 0 HB2 LYS A 47 -4.012 19.141 17.159 1.00 25.00 H new ATOM 0 HB3 LYS A 47 -4.949 17.712 16.774 1.00 25.00 H new ATOM 0 HG2 LYS A 47 -5.476 17.655 18.963 1.00 34.31 H new ATOM 0 HG3 LYS A 47 -3.862 17.022 19.218 1.00 34.31 H new ATOM 0 HD2 LYS A 47 -3.469 19.796 19.039 1.00 65.20 H new ATOM 0 HD3 LYS A 47 -4.972 19.646 19.927 1.00 65.20 H new ATOM 0 HE2 LYS A 47 -3.492 17.715 21.174 1.00 72.25 H new ATOM 0 HE3 LYS A 47 -2.215 18.820 20.704 1.00 72.25 H new ATOM 0 HZ1 LYS A 47 -3.080 19.359 22.887 1.00 34.33 H new ATOM 0 HZ2 LYS A 47 -3.409 20.625 21.804 1.00 34.33 H new ATOM 0 HZ3 LYS A 47 -4.646 19.555 22.260 1.00 34.33 H new ATOM 721 N ALA A 48 -2.891 17.226 14.484 1.00 5.01 N ATOM 722 CA ALA A 48 -3.114 16.589 13.192 1.00 34.43 C ATOM 723 C ALA A 48 -2.054 15.528 12.914 1.00 42.40 C ATOM 724 O ALA A 48 -2.314 14.547 12.218 1.00 71.01 O ATOM 725 CB ALA A 48 -3.121 17.633 12.084 1.00 44.04 C ATOM 0 H ALA A 48 -2.559 18.189 14.428 1.00 5.01 H new ATOM 0 HA ALA A 48 -4.086 16.097 13.219 1.00 34.43 H new ATOM 0 HB1 ALA A 48 -3.288 17.144 11.124 1.00 44.04 H new ATOM 0 HB2 ALA A 48 -3.918 18.354 12.268 1.00 44.04 H new ATOM 0 HB3 ALA A 48 -2.162 18.150 12.065 1.00 44.04 H new ATOM 731 N GLU A 49 -0.860 15.733 13.463 1.00 63.53 N ATOM 732 CA GLU A 49 0.238 14.792 13.271 1.00 51.50 C ATOM 733 C GLU A 49 -0.015 13.497 14.039 1.00 31.41 C ATOM 734 O GLU A 49 0.380 12.417 13.600 1.00 23.55 O ATOM 735 CB GLU A 49 1.559 15.418 13.725 1.00 62.24 C ATOM 736 CG GLU A 49 2.756 14.978 12.900 1.00 21.33 C ATOM 737 CD GLU A 49 2.927 15.801 11.637 1.00 12.21 C ATOM 738 OE1 GLU A 49 2.976 15.202 10.542 1.00 3.31 O ATOM 739 OE2 GLU A 49 3.012 17.042 11.744 1.00 4.41 O ATOM 0 H GLU A 49 -0.629 16.540 14.043 1.00 63.53 H new ATOM 0 HA GLU A 49 0.301 14.557 12.208 1.00 51.50 H new ATOM 0 HB2 GLU A 49 1.473 16.503 13.675 1.00 62.24 H new ATOM 0 HB3 GLU A 49 1.734 15.160 14.770 1.00 62.24 H new ATOM 0 HG2 GLU A 49 3.659 15.056 13.506 1.00 21.33 H new ATOM 0 HG3 GLU A 49 2.642 13.928 12.632 1.00 21.33 H new ATOM 746 N GLU A 50 -0.673 13.616 15.187 1.00 71.52 N ATOM 747 CA GLU A 50 -0.977 12.455 16.016 1.00 32.25 C ATOM 748 C GLU A 50 -2.219 11.731 15.504 1.00 33.13 C ATOM 749 O GLU A 50 -2.327 10.508 15.612 1.00 45.41 O ATOM 750 CB GLU A 50 -1.184 12.880 17.471 1.00 72.54 C ATOM 751 CG GLU A 50 -0.026 13.680 18.042 1.00 53.50 C ATOM 752 CD GLU A 50 -0.371 14.349 19.359 1.00 73.33 C ATOM 753 OE1 GLU A 50 -0.531 15.587 19.370 1.00 45.24 O ATOM 754 OE2 GLU A 50 -0.481 13.634 20.377 1.00 64.33 O ATOM 0 H GLU A 50 -1.006 14.503 15.564 1.00 71.52 H new ATOM 0 HA GLU A 50 -0.131 11.770 15.962 1.00 32.25 H new ATOM 0 HB2 GLU A 50 -2.095 13.475 17.541 1.00 72.54 H new ATOM 0 HB3 GLU A 50 -1.336 11.991 18.082 1.00 72.54 H new ATOM 0 HG2 GLU A 50 0.830 13.020 18.187 1.00 53.50 H new ATOM 0 HG3 GLU A 50 0.276 14.440 17.321 1.00 53.50 H new ATOM 761 N LEU A 51 -3.153 12.493 14.948 1.00 5.05 N ATOM 762 CA LEU A 51 -4.389 11.926 14.420 1.00 32.11 C ATOM 763 C LEU A 51 -4.105 11.013 13.230 1.00 51.33 C ATOM 764 O LEU A 51 -4.824 10.043 12.994 1.00 70.45 O ATOM 765 CB LEU A 51 -5.348 13.042 14.003 1.00 24.23 C ATOM 766 CG LEU A 51 -6.743 12.998 14.629 1.00 40.20 C ATOM 767 CD1 LEU A 51 -7.453 11.705 14.261 1.00 71.32 C ATOM 768 CD2 LEU A 51 -6.652 13.148 16.141 1.00 4.33 C ATOM 0 H LEU A 51 -3.079 13.506 14.851 1.00 5.05 H new ATOM 0 HA LEU A 51 -4.853 11.332 15.208 1.00 32.11 H new ATOM 0 HB2 LEU A 51 -4.890 13.999 14.252 1.00 24.23 H new ATOM 0 HB3 LEU A 51 -5.457 13.014 12.919 1.00 24.23 H new ATOM 0 HG LEU A 51 -7.325 13.831 14.235 1.00 40.20 H new ATOM 0 HD11 LEU A 51 -8.444 11.692 14.715 1.00 71.32 H new ATOM 0 HD12 LEU A 51 -7.550 11.639 13.177 1.00 71.32 H new ATOM 0 HD13 LEU A 51 -6.875 10.856 14.626 1.00 71.32 H new ATOM 0 HD21 LEU A 51 -7.653 13.115 16.571 1.00 4.33 H new ATOM 0 HD22 LEU A 51 -6.053 12.335 16.552 1.00 4.33 H new ATOM 0 HD23 LEU A 51 -6.184 14.102 16.384 1.00 4.33 H new ATOM 780 N PHE A 52 -3.050 11.331 12.487 1.00 42.21 N ATOM 781 CA PHE A 52 -2.670 10.539 11.323 1.00 60.54 C ATOM 782 C PHE A 52 -2.351 9.101 11.724 1.00 41.11 C ATOM 783 O PHE A 52 -2.598 8.163 10.966 1.00 20.13 O ATOM 784 CB PHE A 52 -1.460 11.166 10.627 1.00 22.31 C ATOM 785 CG PHE A 52 -1.738 11.596 9.216 1.00 34.44 C ATOM 786 CD1 PHE A 52 -1.996 12.925 8.921 1.00 34.35 C ATOM 787 CD2 PHE A 52 -1.742 10.672 8.183 1.00 12.54 C ATOM 788 CE1 PHE A 52 -2.252 13.326 7.623 1.00 34.34 C ATOM 789 CE2 PHE A 52 -1.997 11.067 6.882 1.00 53.31 C ATOM 790 CZ PHE A 52 -2.252 12.394 6.603 1.00 5.45 C ATOM 0 H PHE A 52 -2.444 12.131 12.670 1.00 42.21 H new ATOM 0 HA PHE A 52 -3.513 10.527 10.632 1.00 60.54 H new ATOM 0 HB2 PHE A 52 -1.127 12.029 11.203 1.00 22.31 H new ATOM 0 HB3 PHE A 52 -0.640 10.448 10.625 1.00 22.31 H new ATOM 0 HD1 PHE A 52 -1.997 13.657 9.715 1.00 34.35 H new ATOM 0 HD2 PHE A 52 -1.544 9.632 8.396 1.00 12.54 H new ATOM 0 HE1 PHE A 52 -2.451 14.365 7.407 1.00 34.34 H new ATOM 0 HE2 PHE A 52 -1.996 10.338 6.086 1.00 53.31 H new ATOM 0 HZ PHE A 52 -2.451 12.704 5.588 1.00 5.45 H new ATOM 800 N LYS A 53 -1.800 8.935 12.922 1.00 44.31 N ATOM 801 CA LYS A 53 -1.449 7.614 13.427 1.00 74.43 C ATOM 802 C LYS A 53 -2.699 6.799 13.739 1.00 3.33 C ATOM 803 O LYS A 53 -2.767 5.607 13.437 1.00 44.34 O ATOM 804 CB LYS A 53 -0.582 7.739 14.681 1.00 53.45 C ATOM 805 CG LYS A 53 0.908 7.637 14.404 1.00 54.44 C ATOM 806 CD LYS A 53 1.322 6.207 14.096 1.00 31.32 C ATOM 807 CE LYS A 53 1.776 5.476 15.349 1.00 54.55 C ATOM 808 NZ LYS A 53 1.971 4.020 15.103 1.00 42.22 N ATOM 0 H LYS A 53 -1.587 9.701 13.561 1.00 44.31 H new ATOM 0 HA LYS A 53 -0.884 7.095 12.652 1.00 74.43 H new ATOM 0 HB2 LYS A 53 -0.789 8.695 15.162 1.00 53.45 H new ATOM 0 HB3 LYS A 53 -0.866 6.959 15.388 1.00 53.45 H new ATOM 0 HG2 LYS A 53 1.168 8.281 13.564 1.00 54.44 H new ATOM 0 HG3 LYS A 53 1.465 8.000 15.268 1.00 54.44 H new ATOM 0 HD2 LYS A 53 0.485 5.674 13.646 1.00 31.32 H new ATOM 0 HD3 LYS A 53 2.129 6.211 13.363 1.00 31.32 H new ATOM 0 HE2 LYS A 53 2.709 5.912 15.706 1.00 54.55 H new ATOM 0 HE3 LYS A 53 1.037 5.615 16.138 1.00 54.55 H new ATOM 0 HZ1 LYS A 53 2.280 3.558 15.982 1.00 42.22 H new ATOM 0 HZ2 LYS A 53 1.074 3.598 14.787 1.00 42.22 H new ATOM 0 HZ3 LYS A 53 2.695 3.886 14.368 1.00 42.22 H new ATOM 822 N LEU A 54 -3.687 7.449 14.343 1.00 1.32 N ATOM 823 CA LEU A 54 -4.938 6.786 14.695 1.00 20.44 C ATOM 824 C LEU A 54 -5.790 6.535 13.454 1.00 74.35 C ATOM 825 O LEU A 54 -6.446 5.501 13.339 1.00 41.33 O ATOM 826 CB LEU A 54 -5.721 7.630 15.702 1.00 14.01 C ATOM 827 CG LEU A 54 -5.640 7.181 17.161 1.00 55.01 C ATOM 828 CD1 LEU A 54 -6.311 5.827 17.341 1.00 34.34 C ATOM 829 CD2 LEU A 54 -4.191 7.125 17.622 1.00 63.33 C ATOM 0 H LEU A 54 -3.646 8.435 14.600 1.00 1.32 H new ATOM 0 HA LEU A 54 -4.695 5.825 15.147 1.00 20.44 H new ATOM 0 HB2 LEU A 54 -5.365 8.658 15.639 1.00 14.01 H new ATOM 0 HB3 LEU A 54 -6.769 7.637 15.403 1.00 14.01 H new ATOM 0 HG LEU A 54 -6.168 7.910 17.775 1.00 55.01 H new ATOM 0 HD11 LEU A 54 -6.244 5.524 18.386 1.00 34.34 H new ATOM 0 HD12 LEU A 54 -7.359 5.899 17.051 1.00 34.34 H new ATOM 0 HD13 LEU A 54 -5.811 5.087 16.715 1.00 34.34 H new ATOM 0 HD21 LEU A 54 -4.152 6.804 18.663 1.00 63.33 H new ATOM 0 HD22 LEU A 54 -3.639 6.417 17.003 1.00 63.33 H new ATOM 0 HD23 LEU A 54 -3.742 8.114 17.531 1.00 63.33 H new ATOM 841 N ALA A 55 -5.770 7.487 12.527 1.00 5.14 N ATOM 842 CA ALA A 55 -6.537 7.367 11.293 1.00 72.13 C ATOM 843 C ALA A 55 -5.936 6.309 10.374 1.00 1.01 C ATOM 844 O ALA A 55 -6.643 5.689 9.581 1.00 21.34 O ATOM 845 CB ALA A 55 -6.604 8.710 10.581 1.00 1.30 C ATOM 0 H ALA A 55 -5.231 8.349 12.607 1.00 5.14 H new ATOM 0 HA ALA A 55 -7.549 7.054 11.552 1.00 72.13 H new ATOM 0 HB1 ALA A 55 -7.180 8.606 9.661 1.00 1.30 H new ATOM 0 HB2 ALA A 55 -7.085 9.442 11.229 1.00 1.30 H new ATOM 0 HB3 ALA A 55 -5.595 9.046 10.342 1.00 1.30 H new ATOM 851 N GLU A 56 -4.627 6.108 10.488 1.00 35.34 N ATOM 852 CA GLU A 56 -3.932 5.126 9.664 1.00 74.32 C ATOM 853 C GLU A 56 -4.420 3.713 9.974 1.00 15.52 C ATOM 854 O GLU A 56 -4.683 2.925 9.068 1.00 65.51 O ATOM 855 CB GLU A 56 -2.421 5.215 9.890 1.00 73.33 C ATOM 856 CG GLU A 56 -1.611 4.336 8.952 1.00 10.33 C ATOM 857 CD GLU A 56 -0.717 5.139 8.028 1.00 30.34 C ATOM 858 OE1 GLU A 56 0.441 5.410 8.412 1.00 62.11 O ATOM 859 OE2 GLU A 56 -1.172 5.495 6.921 1.00 41.20 O ATOM 0 H GLU A 56 -4.027 6.611 11.142 1.00 35.34 H new ATOM 0 HA GLU A 56 -4.150 5.347 8.619 1.00 74.32 H new ATOM 0 HB2 GLU A 56 -2.104 6.251 9.767 1.00 73.33 H new ATOM 0 HB3 GLU A 56 -2.199 4.934 10.919 1.00 73.33 H new ATOM 0 HG2 GLU A 56 -0.999 3.651 9.539 1.00 10.33 H new ATOM 0 HG3 GLU A 56 -2.289 3.726 8.356 1.00 10.33 H new ATOM 866 N GLU A 57 -4.537 3.403 11.262 1.00 33.42 N ATOM 867 CA GLU A 57 -4.992 2.086 11.691 1.00 3.11 C ATOM 868 C GLU A 57 -6.505 1.957 11.537 1.00 75.25 C ATOM 869 O GLU A 57 -7.030 0.856 11.362 1.00 2.13 O ATOM 870 CB GLU A 57 -4.593 1.832 13.146 1.00 13.33 C ATOM 871 CG GLU A 57 -3.229 1.179 13.297 1.00 50.40 C ATOM 872 CD GLU A 57 -2.748 1.162 14.736 1.00 11.25 C ATOM 873 OE1 GLU A 57 -1.534 0.963 14.952 1.00 34.22 O ATOM 874 OE2 GLU A 57 -3.583 1.347 15.644 1.00 25.21 O ATOM 0 H GLU A 57 -4.323 4.045 12.025 1.00 33.42 H new ATOM 0 HA GLU A 57 -4.514 1.340 11.056 1.00 3.11 H new ATOM 0 HB2 GLU A 57 -4.595 2.779 13.685 1.00 13.33 H new ATOM 0 HB3 GLU A 57 -5.345 1.197 13.615 1.00 13.33 H new ATOM 0 HG2 GLU A 57 -3.276 0.157 12.921 1.00 50.40 H new ATOM 0 HG3 GLU A 57 -2.504 1.712 12.682 1.00 50.40 H new ATOM 881 N ARG A 58 -7.200 3.088 11.605 1.00 74.12 N ATOM 882 CA ARG A 58 -8.651 3.101 11.476 1.00 3.11 C ATOM 883 C ARG A 58 -9.070 2.934 10.018 1.00 32.04 C ATOM 884 O ARG A 58 -9.529 1.866 9.611 1.00 4.21 O ATOM 885 CB ARG A 58 -9.222 4.406 12.035 1.00 22.32 C ATOM 886 CG ARG A 58 -9.177 4.490 13.552 1.00 63.44 C ATOM 887 CD ARG A 58 -10.447 3.934 14.179 1.00 34.25 C ATOM 888 NE ARG A 58 -11.083 4.898 15.074 1.00 30.53 N ATOM 889 CZ ARG A 58 -12.005 4.570 15.971 1.00 14.31 C ATOM 890 NH1 ARG A 58 -12.396 3.310 16.094 1.00 52.34 N ATOM 891 NH2 ARG A 58 -12.536 5.504 16.749 1.00 51.21 N ATOM 0 H ARG A 58 -6.781 4.007 11.749 1.00 74.12 H new ATOM 0 HA ARG A 58 -9.049 2.263 12.048 1.00 3.11 H new ATOM 0 HB2 ARG A 58 -8.666 5.245 11.616 1.00 22.32 H new ATOM 0 HB3 ARG A 58 -10.255 4.512 11.704 1.00 22.32 H new ATOM 0 HG2 ARG A 58 -8.314 3.936 13.923 1.00 63.44 H new ATOM 0 HG3 ARG A 58 -9.044 5.528 13.856 1.00 63.44 H new ATOM 0 HD2 ARG A 58 -11.147 3.653 13.392 1.00 34.25 H new ATOM 0 HD3 ARG A 58 -10.210 3.026 14.734 1.00 34.25 H new ATOM 0 HE ARG A 58 -10.803 5.877 15.006 1.00 30.53 H new ATOM 0 HH11 ARG A 58 -11.988 2.589 15.499 1.00 52.34 H new ATOM 0 HH12 ARG A 58 -13.105 3.061 16.784 1.00 52.34 H new ATOM 0 HH21 ARG A 58 -12.236 6.475 16.658 1.00 51.21 H new ATOM 0 HH22 ARG A 58 -13.244 5.252 17.438 1.00 51.21 H new ATOM 905 N LEU A 59 -8.907 3.996 9.236 1.00 62.42 N ATOM 906 CA LEU A 59 -9.267 3.968 7.823 1.00 53.12 C ATOM 907 C LEU A 59 -8.544 2.837 7.099 1.00 60.14 C ATOM 908 O LEU A 59 -9.046 2.295 6.113 1.00 55.02 O ATOM 909 CB LEU A 59 -8.932 5.307 7.164 1.00 34.41 C ATOM 910 CG LEU A 59 -10.044 6.356 7.172 1.00 35.32 C ATOM 911 CD1 LEU A 59 -10.542 6.595 8.589 1.00 23.22 C ATOM 912 CD2 LEU A 59 -9.554 7.656 6.551 1.00 73.20 C ATOM 0 H LEU A 59 -8.528 4.887 9.557 1.00 62.42 H new ATOM 0 HA LEU A 59 -10.340 3.793 7.751 1.00 53.12 H new ATOM 0 HB2 LEU A 59 -8.060 5.727 7.665 1.00 34.41 H new ATOM 0 HB3 LEU A 59 -8.645 5.118 6.129 1.00 34.41 H new ATOM 0 HG LEU A 59 -10.875 5.981 6.575 1.00 35.32 H new ATOM 0 HD11 LEU A 59 -11.333 7.345 8.575 1.00 23.22 H new ATOM 0 HD12 LEU A 59 -10.932 5.664 9.000 1.00 23.22 H new ATOM 0 HD13 LEU A 59 -9.718 6.948 9.209 1.00 23.22 H new ATOM 0 HD21 LEU A 59 -10.358 8.392 6.565 1.00 73.20 H new ATOM 0 HD22 LEU A 59 -8.706 8.035 7.121 1.00 73.20 H new ATOM 0 HD23 LEU A 59 -9.246 7.474 5.521 1.00 73.20 H new ATOM 1049 N LEU B 4 -2.496 42.790 13.072 1.00 31.30 N ATOM 1050 CA LEU B 4 -1.996 41.422 12.995 1.00 71.13 C ATOM 1051 C LEU B 4 -2.870 40.476 13.812 1.00 63.22 C ATOM 1052 O LEU B 4 -2.985 39.291 13.496 1.00 14.32 O ATOM 1053 CB LEU B 4 -0.551 41.357 13.492 1.00 23.22 C ATOM 1054 CG LEU B 4 -0.331 41.712 14.963 1.00 22.43 C ATOM 1055 CD1 LEU B 4 -0.517 40.486 15.842 1.00 61.14 C ATOM 1056 CD2 LEU B 4 1.054 42.310 15.165 1.00 50.51 C ATOM 0 HA LEU B 4 -2.029 41.108 11.952 1.00 71.13 H new ATOM 0 HB2 LEU B 4 -0.174 40.348 13.322 1.00 23.22 H new ATOM 0 HB3 LEU B 4 0.052 42.030 12.882 1.00 23.22 H new ATOM 0 HG LEU B 4 -1.073 42.456 15.252 1.00 22.43 H new ATOM 0 HD11 LEU B 4 -0.356 40.758 16.885 1.00 61.14 H new ATOM 0 HD12 LEU B 4 -1.529 40.101 15.719 1.00 61.14 H new ATOM 0 HD13 LEU B 4 0.201 39.719 15.553 1.00 61.14 H new ATOM 0 HD21 LEU B 4 1.194 42.557 16.217 1.00 50.51 H new ATOM 0 HD22 LEU B 4 1.810 41.588 14.858 1.00 50.51 H new ATOM 0 HD23 LEU B 4 1.151 43.214 14.564 1.00 50.51 H new ATOM 1068 N ARG B 5 -3.486 41.008 14.863 1.00 65.31 N ATOM 1069 CA ARG B 5 -4.352 40.211 15.725 1.00 72.32 C ATOM 1070 C ARG B 5 -5.466 39.552 14.918 1.00 62.43 C ATOM 1071 O ARG B 5 -5.662 38.339 14.988 1.00 12.42 O ATOM 1072 CB ARG B 5 -4.954 41.085 16.827 1.00 33.33 C ATOM 1073 CG ARG B 5 -5.651 40.292 17.920 1.00 73.14 C ATOM 1074 CD ARG B 5 -7.147 40.192 17.667 1.00 51.33 C ATOM 1075 NE ARG B 5 -7.927 40.732 18.778 1.00 35.23 N ATOM 1076 CZ ARG B 5 -9.212 41.054 18.685 1.00 44.22 C ATOM 1077 NH1 ARG B 5 -9.859 40.890 17.540 1.00 74.41 N ATOM 1078 NH2 ARG B 5 -9.853 41.541 19.740 1.00 61.24 N ATOM 0 H ARG B 5 -3.402 41.987 15.138 1.00 65.31 H new ATOM 0 HA ARG B 5 -3.746 39.428 16.181 1.00 72.32 H new ATOM 0 HB2 ARG B 5 -4.163 41.687 17.275 1.00 33.33 H new ATOM 0 HB3 ARG B 5 -5.668 41.777 16.381 1.00 33.33 H new ATOM 0 HG2 ARG B 5 -5.222 39.291 17.975 1.00 73.14 H new ATOM 0 HG3 ARG B 5 -5.475 40.768 18.885 1.00 73.14 H new ATOM 0 HD2 ARG B 5 -7.397 40.731 16.753 1.00 51.33 H new ATOM 0 HD3 ARG B 5 -7.419 39.149 17.507 1.00 51.33 H new ATOM 0 HE ARG B 5 -7.459 40.869 19.674 1.00 35.23 H new ATOM 0 HH11 ARG B 5 -9.370 40.515 16.727 1.00 74.41 H new ATOM 0 HH12 ARG B 5 -10.846 41.138 17.472 1.00 74.41 H new ATOM 0 HH21 ARG B 5 -9.359 41.668 20.623 1.00 61.24 H new ATOM 0 HH22 ARG B 5 -10.840 41.788 19.668 1.00 61.24 H new ATOM 1092 N GLU B 6 -6.192 40.360 14.152 1.00 24.21 N ATOM 1093 CA GLU B 6 -7.288 39.854 13.332 1.00 31.21 C ATOM 1094 C GLU B 6 -6.756 39.064 12.140 1.00 33.34 C ATOM 1095 O GLU B 6 -7.423 38.163 11.633 1.00 30.43 O ATOM 1096 CB GLU B 6 -8.162 41.010 12.842 1.00 44.44 C ATOM 1097 CG GLU B 6 -8.925 41.710 13.955 1.00 31.50 C ATOM 1098 CD GLU B 6 -9.952 42.694 13.428 1.00 61.51 C ATOM 1099 OE1 GLU B 6 -9.828 43.111 12.258 1.00 11.03 O ATOM 1100 OE2 GLU B 6 -10.880 43.046 14.186 1.00 63.55 O ATOM 0 H GLU B 6 -6.042 41.366 14.082 1.00 24.21 H new ATOM 0 HA GLU B 6 -7.891 39.187 13.948 1.00 31.21 H new ATOM 0 HB2 GLU B 6 -7.533 41.738 12.330 1.00 44.44 H new ATOM 0 HB3 GLU B 6 -8.873 40.631 12.108 1.00 44.44 H new ATOM 0 HG2 GLU B 6 -9.425 40.964 14.573 1.00 31.50 H new ATOM 0 HG3 GLU B 6 -8.220 42.236 14.599 1.00 31.50 H new ATOM 1107 N GLU B 7 -5.549 39.409 11.699 1.00 61.13 N ATOM 1108 CA GLU B 7 -4.929 38.733 10.567 1.00 73.30 C ATOM 1109 C GLU B 7 -4.727 37.249 10.862 1.00 32.20 C ATOM 1110 O GLU B 7 -5.215 36.388 10.131 1.00 43.14 O ATOM 1111 CB GLU B 7 -3.586 39.384 10.229 1.00 21.43 C ATOM 1112 CG GLU B 7 -3.442 39.756 8.763 1.00 22.43 C ATOM 1113 CD GLU B 7 -3.666 41.235 8.512 1.00 34.11 C ATOM 1114 OE1 GLU B 7 -2.897 42.052 9.061 1.00 22.44 O ATOM 1115 OE2 GLU B 7 -4.609 41.574 7.768 1.00 3.32 O ATOM 0 H GLU B 7 -4.983 40.152 12.109 1.00 61.13 H new ATOM 0 HA GLU B 7 -5.597 38.828 9.711 1.00 73.30 H new ATOM 0 HB2 GLU B 7 -3.463 40.281 10.836 1.00 21.43 H new ATOM 0 HB3 GLU B 7 -2.782 38.701 10.503 1.00 21.43 H new ATOM 0 HG2 GLU B 7 -2.446 39.479 8.418 1.00 22.43 H new ATOM 0 HG3 GLU B 7 -4.155 39.179 8.174 1.00 22.43 H new ATOM 1122 N ALA B 8 -4.003 36.959 11.939 1.00 24.25 N ATOM 1123 CA ALA B 8 -3.738 35.582 12.332 1.00 53.13 C ATOM 1124 C ALA B 8 -5.035 34.830 12.613 1.00 11.34 C ATOM 1125 O ALA B 8 -5.196 33.678 12.213 1.00 74.11 O ATOM 1126 CB ALA B 8 -2.832 35.547 13.555 1.00 31.33 C ATOM 0 H ALA B 8 -3.590 37.660 12.554 1.00 24.25 H new ATOM 0 HA ALA B 8 -3.233 35.086 11.503 1.00 53.13 H new ATOM 0 HB1 ALA B 8 -2.642 34.512 13.838 1.00 31.33 H new ATOM 0 HB2 ALA B 8 -1.887 36.039 13.322 1.00 31.33 H new ATOM 0 HB3 ALA B 8 -3.317 36.066 14.382 1.00 31.33 H new ATOM 1132 N ALA B 9 -5.958 35.492 13.303 1.00 1.11 N ATOM 1133 CA ALA B 9 -7.242 34.887 13.635 1.00 51.35 C ATOM 1134 C ALA B 9 -7.968 34.413 12.380 1.00 54.43 C ATOM 1135 O ALA B 9 -8.699 33.423 12.409 1.00 53.41 O ATOM 1136 CB ALA B 9 -8.107 35.874 14.406 1.00 50.12 C ATOM 0 H ALA B 9 -5.841 36.447 13.643 1.00 1.11 H new ATOM 0 HA ALA B 9 -7.053 34.017 14.264 1.00 51.35 H new ATOM 0 HB1 ALA B 9 -9.063 35.409 14.647 1.00 50.12 H new ATOM 0 HB2 ALA B 9 -7.600 36.160 15.327 1.00 50.12 H new ATOM 0 HB3 ALA B 9 -8.279 36.761 13.796 1.00 50.12 H new ATOM 1142 N LYS B 10 -7.761 35.127 11.279 1.00 73.20 N ATOM 1143 CA LYS B 10 -8.394 34.779 10.012 1.00 1.21 C ATOM 1144 C LYS B 10 -7.997 33.374 9.572 1.00 34.21 C ATOM 1145 O LYS B 10 -8.822 32.615 9.063 1.00 43.34 O ATOM 1146 CB LYS B 10 -8.009 35.793 8.932 1.00 74.53 C ATOM 1147 CG LYS B 10 -9.033 35.911 7.816 1.00 40.32 C ATOM 1148 CD LYS B 10 -10.141 36.884 8.178 1.00 4.51 C ATOM 1149 CE LYS B 10 -11.358 36.700 7.285 1.00 22.12 C ATOM 1150 NZ LYS B 10 -12.337 37.812 7.444 1.00 72.14 N ATOM 0 H LYS B 10 -7.160 35.950 11.238 1.00 73.20 H new ATOM 0 HA LYS B 10 -9.474 34.802 10.155 1.00 1.21 H new ATOM 0 HB2 LYS B 10 -7.874 36.771 9.395 1.00 74.53 H new ATOM 0 HB3 LYS B 10 -7.048 35.508 8.504 1.00 74.53 H new ATOM 0 HG2 LYS B 10 -8.540 36.243 6.902 1.00 40.32 H new ATOM 0 HG3 LYS B 10 -9.462 34.930 7.609 1.00 40.32 H new ATOM 0 HD2 LYS B 10 -10.428 36.739 9.220 1.00 4.51 H new ATOM 0 HD3 LYS B 10 -9.773 37.906 8.087 1.00 4.51 H new ATOM 0 HE2 LYS B 10 -11.039 36.643 6.244 1.00 22.12 H new ATOM 0 HE3 LYS B 10 -11.843 35.753 7.522 1.00 22.12 H new ATOM 0 HZ1 LYS B 10 -13.152 37.649 6.819 1.00 72.14 H new ATOM 0 HZ2 LYS B 10 -12.661 37.851 8.432 1.00 72.14 H new ATOM 0 HZ3 LYS B 10 -11.883 38.713 7.193 1.00 72.14 H new ATOM 1164 N LEU B 11 -6.728 33.034 9.772 1.00 32.23 N ATOM 1165 CA LEU B 11 -6.220 31.718 9.396 1.00 23.02 C ATOM 1166 C LEU B 11 -6.921 30.619 10.188 1.00 54.22 C ATOM 1167 O LEU B 11 -7.087 29.500 9.703 1.00 24.23 O ATOM 1168 CB LEU B 11 -4.711 31.648 9.628 1.00 73.24 C ATOM 1169 CG LEU B 11 -3.830 32.103 8.463 1.00 72.05 C ATOM 1170 CD1 LEU B 11 -3.899 31.103 7.320 1.00 35.51 C ATOM 1171 CD2 LEU B 11 -4.247 33.488 7.990 1.00 44.12 C ATOM 0 H LEU B 11 -6.032 33.650 10.192 1.00 32.23 H new ATOM 0 HA LEU B 11 -6.425 31.564 8.337 1.00 23.02 H new ATOM 0 HB2 LEU B 11 -4.469 32.257 10.499 1.00 73.24 H new ATOM 0 HB3 LEU B 11 -4.449 30.619 9.875 1.00 73.24 H new ATOM 0 HG LEU B 11 -2.798 32.155 8.810 1.00 72.05 H new ATOM 0 HD11 LEU B 11 -3.266 31.443 6.500 1.00 35.51 H new ATOM 0 HD12 LEU B 11 -3.552 30.130 7.667 1.00 35.51 H new ATOM 0 HD13 LEU B 11 -4.929 31.018 6.972 1.00 35.51 H new ATOM 0 HD21 LEU B 11 -3.610 33.796 7.161 1.00 44.12 H new ATOM 0 HD22 LEU B 11 -5.285 33.462 7.660 1.00 44.12 H new ATOM 0 HD23 LEU B 11 -4.145 34.199 8.810 1.00 44.12 H new ATOM 1183 N PHE B 12 -7.331 30.946 11.409 1.00 30.30 N ATOM 1184 CA PHE B 12 -8.015 29.987 12.269 1.00 73.52 C ATOM 1185 C PHE B 12 -9.238 29.403 11.567 1.00 34.34 C ATOM 1186 O PHE B 12 -9.421 28.187 11.527 1.00 2.22 O ATOM 1187 CB PHE B 12 -8.435 30.653 13.580 1.00 13.12 C ATOM 1188 CG PHE B 12 -8.409 29.724 14.760 1.00 31.15 C ATOM 1189 CD1 PHE B 12 -9.060 28.502 14.711 1.00 3.55 C ATOM 1190 CD2 PHE B 12 -7.732 30.074 15.918 1.00 64.11 C ATOM 1191 CE1 PHE B 12 -9.038 27.645 15.795 1.00 54.24 C ATOM 1192 CE2 PHE B 12 -7.706 29.220 17.004 1.00 50.54 C ATOM 1193 CZ PHE B 12 -8.361 28.005 16.944 1.00 11.34 C ATOM 0 H PHE B 12 -7.201 31.868 11.825 1.00 30.30 H new ATOM 0 HA PHE B 12 -7.322 29.175 12.489 1.00 73.52 H new ATOM 0 HB2 PHE B 12 -7.774 31.497 13.778 1.00 13.12 H new ATOM 0 HB3 PHE B 12 -9.441 31.056 13.467 1.00 13.12 H new ATOM 0 HD1 PHE B 12 -9.591 28.216 13.815 1.00 3.55 H new ATOM 0 HD2 PHE B 12 -7.220 31.023 15.972 1.00 64.11 H new ATOM 0 HE1 PHE B 12 -9.549 26.695 15.744 1.00 54.24 H new ATOM 0 HE2 PHE B 12 -7.173 29.502 17.900 1.00 50.54 H new ATOM 0 HZ PHE B 12 -8.344 27.338 17.793 1.00 11.34 H new ATOM 1203 N GLU B 13 -10.071 30.280 11.016 1.00 32.00 N ATOM 1204 CA GLU B 13 -11.277 29.852 10.317 1.00 41.21 C ATOM 1205 C GLU B 13 -10.928 29.160 9.002 1.00 43.43 C ATOM 1206 O GLU B 13 -11.593 28.208 8.595 1.00 1.32 O ATOM 1207 CB GLU B 13 -12.190 31.050 10.049 1.00 21.34 C ATOM 1208 CG GLU B 13 -13.611 30.858 10.552 1.00 63.21 C ATOM 1209 CD GLU B 13 -13.851 31.529 11.890 1.00 63.25 C ATOM 1210 OE1 GLU B 13 -13.288 31.055 12.900 1.00 24.42 O ATOM 1211 OE2 GLU B 13 -14.602 32.526 11.928 1.00 74.32 O ATOM 0 H GLU B 13 -9.933 31.290 11.040 1.00 32.00 H new ATOM 0 HA GLU B 13 -11.802 29.140 10.954 1.00 41.21 H new ATOM 0 HB2 GLU B 13 -11.763 31.934 10.522 1.00 21.34 H new ATOM 0 HB3 GLU B 13 -12.216 31.243 8.977 1.00 21.34 H new ATOM 0 HG2 GLU B 13 -14.310 31.259 9.818 1.00 63.21 H new ATOM 0 HG3 GLU B 13 -13.820 29.792 10.642 1.00 63.21 H new ATOM 1218 N GLU B 14 -9.880 29.646 8.344 1.00 51.54 N ATOM 1219 CA GLU B 14 -9.443 29.075 7.076 1.00 24.20 C ATOM 1220 C GLU B 14 -9.262 27.564 7.193 1.00 52.40 C ATOM 1221 O GLU B 14 -9.812 26.799 6.400 1.00 54.50 O ATOM 1222 CB GLU B 14 -8.134 29.723 6.624 1.00 20.23 C ATOM 1223 CG GLU B 14 -8.201 30.320 5.227 1.00 54.43 C ATOM 1224 CD GLU B 14 -9.037 31.585 5.173 1.00 62.44 C ATOM 1225 OE1 GLU B 14 -10.012 31.616 4.395 1.00 24.50 O ATOM 1226 OE2 GLU B 14 -8.716 32.541 5.909 1.00 64.53 O ATOM 0 H GLU B 14 -9.318 30.433 8.668 1.00 51.54 H new ATOM 0 HA GLU B 14 -10.214 29.274 6.332 1.00 24.20 H new ATOM 0 HB2 GLU B 14 -7.862 30.506 7.332 1.00 20.23 H new ATOM 0 HB3 GLU B 14 -7.340 28.977 6.654 1.00 20.23 H new ATOM 0 HG2 GLU B 14 -7.191 30.541 4.882 1.00 54.43 H new ATOM 0 HG3 GLU B 14 -8.618 29.583 4.541 1.00 54.43 H new ATOM 1233 N TRP B 15 -8.488 27.143 8.186 1.00 72.21 N ATOM 1234 CA TRP B 15 -8.233 25.724 8.407 1.00 21.50 C ATOM 1235 C TRP B 15 -9.408 25.065 9.120 1.00 75.11 C ATOM 1236 O TRP B 15 -9.838 23.971 8.751 1.00 12.43 O ATOM 1237 CB TRP B 15 -6.953 25.535 9.223 1.00 53.20 C ATOM 1238 CG TRP B 15 -7.122 24.605 10.387 1.00 30.14 C ATOM 1239 CD1 TRP B 15 -7.309 23.254 10.335 1.00 32.31 C ATOM 1240 CD2 TRP B 15 -7.122 24.960 11.773 1.00 3.20 C ATOM 1241 NE1 TRP B 15 -7.425 22.746 11.607 1.00 14.14 N ATOM 1242 CE2 TRP B 15 -7.313 23.773 12.507 1.00 73.33 C ATOM 1243 CE3 TRP B 15 -6.978 26.164 12.468 1.00 31.04 C ATOM 1244 CZ2 TRP B 15 -7.364 23.757 13.898 1.00 34.11 C ATOM 1245 CZ3 TRP B 15 -7.028 26.147 13.848 1.00 42.32 C ATOM 1246 CH2 TRP B 15 -7.220 24.950 14.552 1.00 15.34 C ATOM 0 H TRP B 15 -8.026 27.763 8.851 1.00 72.21 H new ATOM 0 HA TRP B 15 -8.108 25.247 7.435 1.00 21.50 H new ATOM 0 HB2 TRP B 15 -6.169 25.151 8.571 1.00 53.20 H new ATOM 0 HB3 TRP B 15 -6.617 26.505 9.588 1.00 53.20 H new ATOM 0 HD1 TRP B 15 -7.359 22.670 9.428 1.00 32.31 H new ATOM 0 HE1 TRP B 15 -7.571 21.764 11.843 1.00 14.14 H new ATOM 0 HE3 TRP B 15 -6.830 27.092 11.935 1.00 31.04 H new ATOM 0 HZ2 TRP B 15 -7.512 22.836 14.442 1.00 34.11 H new ATOM 0 HZ3 TRP B 15 -6.917 27.072 14.394 1.00 42.32 H new ATOM 0 HH2 TRP B 15 -7.255 24.970 15.631 1.00 15.34 H new ATOM 1257 N LYS B 16 -9.924 25.735 10.145 1.00 70.41 N ATOM 1258 CA LYS B 16 -11.051 25.215 10.911 1.00 1.25 C ATOM 1259 C LYS B 16 -12.207 24.839 9.990 1.00 3.32 C ATOM 1260 O LYS B 16 -12.989 23.937 10.293 1.00 32.04 O ATOM 1261 CB LYS B 16 -11.518 26.250 11.937 1.00 34.30 C ATOM 1262 CG LYS B 16 -12.829 25.890 12.611 1.00 64.34 C ATOM 1263 CD LYS B 16 -14.017 26.496 11.882 1.00 53.52 C ATOM 1264 CE LYS B 16 -14.831 27.396 12.799 1.00 1.43 C ATOM 1265 NZ LYS B 16 -16.146 27.757 12.198 1.00 70.53 N ATOM 0 H LYS B 16 -9.579 26.640 10.465 1.00 70.41 H new ATOM 0 HA LYS B 16 -10.720 24.318 11.434 1.00 1.25 H new ATOM 0 HB2 LYS B 16 -10.748 26.367 12.699 1.00 34.30 H new ATOM 0 HB3 LYS B 16 -11.626 27.216 11.443 1.00 34.30 H new ATOM 0 HG2 LYS B 16 -12.936 24.806 12.644 1.00 64.34 H new ATOM 0 HG3 LYS B 16 -12.817 26.241 13.643 1.00 64.34 H new ATOM 0 HD2 LYS B 16 -13.665 27.070 11.025 1.00 53.52 H new ATOM 0 HD3 LYS B 16 -14.652 25.700 11.494 1.00 53.52 H new ATOM 0 HE2 LYS B 16 -14.993 26.892 13.752 1.00 1.43 H new ATOM 0 HE3 LYS B 16 -14.267 28.304 13.011 1.00 1.43 H new ATOM 0 HZ1 LYS B 16 -16.670 28.371 12.854 1.00 70.53 H new ATOM 0 HZ2 LYS B 16 -15.991 28.260 11.301 1.00 70.53 H new ATOM 0 HZ3 LYS B 16 -16.695 26.892 12.019 1.00 70.53 H new ATOM 1279 N LYS B 17 -12.310 25.536 8.862 1.00 62.05 N ATOM 1280 CA LYS B 17 -13.369 25.275 7.895 1.00 60.24 C ATOM 1281 C LYS B 17 -13.054 24.034 7.066 1.00 62.53 C ATOM 1282 O LYS B 17 -13.951 23.270 6.705 1.00 3.21 O ATOM 1283 CB LYS B 17 -13.557 26.482 6.974 1.00 42.43 C ATOM 1284 CG LYS B 17 -14.673 26.306 5.961 1.00 25.34 C ATOM 1285 CD LYS B 17 -15.809 27.286 6.204 1.00 22.44 C ATOM 1286 CE LYS B 17 -16.816 27.267 5.065 1.00 24.03 C ATOM 1287 NZ LYS B 17 -16.808 28.542 4.296 1.00 2.11 N ATOM 0 H LYS B 17 -11.672 26.286 8.596 1.00 62.05 H new ATOM 0 HA LYS B 17 -14.293 25.099 8.445 1.00 60.24 H new ATOM 0 HB2 LYS B 17 -13.765 27.363 7.581 1.00 42.43 H new ATOM 0 HB3 LYS B 17 -12.624 26.673 6.444 1.00 42.43 H new ATOM 0 HG2 LYS B 17 -14.278 26.448 4.955 1.00 25.34 H new ATOM 0 HG3 LYS B 17 -15.054 25.286 6.012 1.00 25.34 H new ATOM 0 HD2 LYS B 17 -16.311 27.038 7.139 1.00 22.44 H new ATOM 0 HD3 LYS B 17 -15.405 28.292 6.317 1.00 22.44 H new ATOM 0 HE2 LYS B 17 -16.591 26.437 4.395 1.00 24.03 H new ATOM 0 HE3 LYS B 17 -17.814 27.091 5.466 1.00 24.03 H new ATOM 0 HZ1 LYS B 17 -17.508 28.489 3.529 1.00 2.11 H new ATOM 0 HZ2 LYS B 17 -17.048 29.331 4.930 1.00 2.11 H new ATOM 0 HZ3 LYS B 17 -15.862 28.698 3.892 1.00 2.11 H new ATOM 1301 N LEU B 18 -11.775 23.837 6.766 1.00 52.30 N ATOM 1302 CA LEU B 18 -11.341 22.687 5.981 1.00 31.45 C ATOM 1303 C LEU B 18 -11.626 21.383 6.718 1.00 11.34 C ATOM 1304 O LEU B 18 -11.922 20.361 6.100 1.00 53.53 O ATOM 1305 CB LEU B 18 -9.847 22.793 5.667 1.00 13.31 C ATOM 1306 CG LEU B 18 -9.487 23.372 4.298 1.00 74.04 C ATOM 1307 CD1 LEU B 18 -9.898 22.414 3.190 1.00 13.41 C ATOM 1308 CD2 LEU B 18 -10.145 24.730 4.104 1.00 30.44 C ATOM 0 H LEU B 18 -11.020 24.459 7.055 1.00 52.30 H new ATOM 0 HA LEU B 18 -11.903 22.684 5.047 1.00 31.45 H new ATOM 0 HB2 LEU B 18 -9.378 23.409 6.434 1.00 13.31 H new ATOM 0 HB3 LEU B 18 -9.409 21.798 5.745 1.00 13.31 H new ATOM 0 HG LEU B 18 -8.406 23.505 4.253 1.00 74.04 H new ATOM 0 HD11 LEU B 18 -9.634 22.842 2.223 1.00 13.41 H new ATOM 0 HD12 LEU B 18 -9.380 21.464 3.320 1.00 13.41 H new ATOM 0 HD13 LEU B 18 -10.975 22.249 3.232 1.00 13.41 H new ATOM 0 HD21 LEU B 18 -9.878 25.127 3.125 1.00 30.44 H new ATOM 0 HD22 LEU B 18 -11.228 24.622 4.169 1.00 30.44 H new ATOM 0 HD23 LEU B 18 -9.801 25.415 4.879 1.00 30.44 H new ATOM 1320 N ALA B 19 -11.537 21.429 8.044 1.00 71.40 N ATOM 1321 CA ALA B 19 -11.789 20.252 8.867 1.00 21.14 C ATOM 1322 C ALA B 19 -13.239 19.795 8.741 1.00 30.45 C ATOM 1323 O ALA B 19 -13.516 18.600 8.646 1.00 14.41 O ATOM 1324 CB ALA B 19 -11.451 20.542 10.322 1.00 34.45 C ATOM 0 H ALA B 19 -11.293 22.268 8.570 1.00 71.40 H new ATOM 0 HA ALA B 19 -11.148 19.446 8.510 1.00 21.14 H new ATOM 0 HB1 ALA B 19 -11.644 19.654 10.924 1.00 34.45 H new ATOM 0 HB2 ALA B 19 -10.399 20.814 10.404 1.00 34.45 H new ATOM 0 HB3 ALA B 19 -12.068 21.366 10.682 1.00 34.45 H new ATOM 1330 N GLU B 20 -14.159 20.754 8.740 1.00 22.53 N ATOM 1331 CA GLU B 20 -15.581 20.449 8.626 1.00 52.14 C ATOM 1332 C GLU B 20 -15.921 19.960 7.222 1.00 62.13 C ATOM 1333 O GLU B 20 -16.843 19.166 7.037 1.00 22.41 O ATOM 1334 CB GLU B 20 -16.419 21.682 8.966 1.00 4.55 C ATOM 1335 CG GLU B 20 -16.168 22.223 10.363 1.00 53.53 C ATOM 1336 CD GLU B 20 -17.111 23.351 10.731 1.00 4.42 C ATOM 1337 OE1 GLU B 20 -16.897 24.483 10.249 1.00 3.31 O ATOM 1338 OE2 GLU B 20 -18.063 23.103 11.501 1.00 4.10 O ATOM 0 H GLU B 20 -13.946 21.748 8.817 1.00 22.53 H new ATOM 0 HA GLU B 20 -15.814 19.655 9.335 1.00 52.14 H new ATOM 0 HB2 GLU B 20 -16.208 22.466 8.239 1.00 4.55 H new ATOM 0 HB3 GLU B 20 -17.475 21.431 8.867 1.00 4.55 H new ATOM 0 HG2 GLU B 20 -16.275 21.414 11.086 1.00 53.53 H new ATOM 0 HG3 GLU B 20 -15.140 22.578 10.432 1.00 53.53 H new ATOM 1345 N GLU B 21 -15.171 20.440 6.235 1.00 13.22 N ATOM 1346 CA GLU B 21 -15.395 20.053 4.847 1.00 71.15 C ATOM 1347 C GLU B 21 -14.887 18.637 4.589 1.00 12.25 C ATOM 1348 O GLU B 21 -15.432 17.913 3.756 1.00 44.31 O ATOM 1349 CB GLU B 21 -14.701 21.036 3.902 1.00 5.22 C ATOM 1350 CG GLU B 21 -15.441 22.354 3.745 1.00 13.41 C ATOM 1351 CD GLU B 21 -14.666 23.363 2.920 1.00 14.21 C ATOM 1352 OE1 GLU B 21 -13.957 22.942 1.982 1.00 2.15 O ATOM 1353 OE2 GLU B 21 -14.767 24.573 3.214 1.00 33.44 O ATOM 0 H GLU B 21 -14.403 21.097 6.371 1.00 13.22 H new ATOM 0 HA GLU B 21 -16.468 20.076 4.658 1.00 71.15 H new ATOM 0 HB2 GLU B 21 -13.696 21.235 4.273 1.00 5.22 H new ATOM 0 HB3 GLU B 21 -14.593 20.571 2.922 1.00 5.22 H new ATOM 0 HG2 GLU B 21 -16.407 22.170 3.274 1.00 13.41 H new ATOM 0 HG3 GLU B 21 -15.642 22.774 4.731 1.00 13.41 H new ATOM 1360 N ALA B 22 -13.838 18.251 5.308 1.00 31.31 N ATOM 1361 CA ALA B 22 -13.257 16.923 5.158 1.00 44.32 C ATOM 1362 C ALA B 22 -14.178 15.852 5.733 1.00 13.25 C ATOM 1363 O ALA B 22 -14.201 14.718 5.257 1.00 35.52 O ATOM 1364 CB ALA B 22 -11.893 16.865 5.830 1.00 23.30 C ATOM 0 H ALA B 22 -13.373 18.839 6.000 1.00 31.31 H new ATOM 0 HA ALA B 22 -13.134 16.725 4.093 1.00 44.32 H new ATOM 0 HB1 ALA B 22 -11.471 15.867 5.710 1.00 23.30 H new ATOM 0 HB2 ALA B 22 -11.230 17.598 5.370 1.00 23.30 H new ATOM 0 HB3 ALA B 22 -12.001 17.088 6.891 1.00 23.30 H new ATOM 1370 N ALA B 23 -14.936 16.221 6.761 1.00 63.25 N ATOM 1371 CA ALA B 23 -15.860 15.292 7.400 1.00 62.32 C ATOM 1372 C ALA B 23 -17.037 14.972 6.485 1.00 44.32 C ATOM 1373 O ALA B 23 -17.600 13.877 6.539 1.00 32.12 O ATOM 1374 CB ALA B 23 -16.356 15.864 8.719 1.00 14.42 C ATOM 0 H ALA B 23 -14.928 17.156 7.169 1.00 63.25 H new ATOM 0 HA ALA B 23 -15.324 14.364 7.598 1.00 62.32 H new ATOM 0 HB1 ALA B 23 -17.045 15.160 9.185 1.00 14.42 H new ATOM 0 HB2 ALA B 23 -15.509 16.036 9.383 1.00 14.42 H new ATOM 0 HB3 ALA B 23 -16.870 16.807 8.536 1.00 14.42 H new ATOM 1380 N LYS B 24 -17.407 15.933 5.646 1.00 11.33 N ATOM 1381 CA LYS B 24 -18.518 15.753 4.718 1.00 1.45 C ATOM 1382 C LYS B 24 -18.165 14.737 3.637 1.00 42.31 C ATOM 1383 O LYS B 24 -19.030 14.006 3.154 1.00 23.51 O ATOM 1384 CB LYS B 24 -18.891 17.091 4.073 1.00 52.43 C ATOM 1385 CG LYS B 24 -19.378 18.131 5.067 1.00 72.43 C ATOM 1386 CD LYS B 24 -19.685 19.453 4.385 1.00 13.25 C ATOM 1387 CE LYS B 24 -20.525 20.357 5.274 1.00 13.24 C ATOM 1388 NZ LYS B 24 -21.897 20.551 4.730 1.00 33.03 N ATOM 0 H LYS B 24 -16.954 16.845 5.589 1.00 11.33 H new ATOM 0 HA LYS B 24 -19.372 15.376 5.281 1.00 1.45 H new ATOM 0 HB2 LYS B 24 -18.023 17.484 3.544 1.00 52.43 H new ATOM 0 HB3 LYS B 24 -19.668 16.921 3.328 1.00 52.43 H new ATOM 0 HG2 LYS B 24 -20.272 17.764 5.570 1.00 72.43 H new ATOM 0 HG3 LYS B 24 -18.620 18.284 5.835 1.00 72.43 H new ATOM 0 HD2 LYS B 24 -18.753 19.957 4.129 1.00 13.25 H new ATOM 0 HD3 LYS B 24 -20.214 19.267 3.450 1.00 13.25 H new ATOM 0 HE2 LYS B 24 -20.588 19.926 6.273 1.00 13.24 H new ATOM 0 HE3 LYS B 24 -20.034 21.325 5.375 1.00 13.24 H new ATOM 0 HZ1 LYS B 24 -22.437 21.173 5.365 1.00 33.03 H new ATOM 0 HZ2 LYS B 24 -21.838 20.985 3.787 1.00 33.03 H new ATOM 0 HZ3 LYS B 24 -22.375 19.630 4.658 1.00 33.03 H new ATOM 1402 N LEU B 25 -16.891 14.695 3.264 1.00 30.03 N ATOM 1403 CA LEU B 25 -16.423 13.765 2.241 1.00 42.42 C ATOM 1404 C LEU B 25 -16.467 12.328 2.750 1.00 4.54 C ATOM 1405 O LEU B 25 -16.706 11.394 1.985 1.00 31.13 O ATOM 1406 CB LEU B 25 -15.000 14.123 1.812 1.00 31.44 C ATOM 1407 CG LEU B 25 -14.866 14.843 0.469 1.00 32.45 C ATOM 1408 CD1 LEU B 25 -15.082 16.339 0.641 1.00 33.13 C ATOM 1409 CD2 LEU B 25 -13.502 14.568 -0.150 1.00 63.11 C ATOM 0 H LEU B 25 -16.163 15.294 3.654 1.00 30.03 H new ATOM 0 HA LEU B 25 -17.087 13.846 1.380 1.00 42.42 H new ATOM 0 HB2 LEU B 25 -14.556 14.751 2.584 1.00 31.44 H new ATOM 0 HB3 LEU B 25 -14.413 13.206 1.770 1.00 31.44 H new ATOM 0 HG LEU B 25 -15.633 14.460 -0.204 1.00 32.45 H new ATOM 0 HD11 LEU B 25 -14.983 16.834 -0.325 1.00 33.13 H new ATOM 0 HD12 LEU B 25 -16.080 16.519 1.040 1.00 33.13 H new ATOM 0 HD13 LEU B 25 -14.338 16.737 1.331 1.00 33.13 H new ATOM 0 HD21 LEU B 25 -13.424 15.088 -1.105 1.00 63.11 H new ATOM 0 HD22 LEU B 25 -12.720 14.923 0.521 1.00 63.11 H new ATOM 0 HD23 LEU B 25 -13.384 13.496 -0.310 1.00 63.11 H new ATOM 1421 N LEU B 26 -16.236 12.159 4.048 1.00 63.33 N ATOM 1422 CA LEU B 26 -16.251 10.835 4.661 1.00 63.23 C ATOM 1423 C LEU B 26 -17.678 10.311 4.790 1.00 63.24 C ATOM 1424 O LEU B 26 -17.933 9.123 4.591 1.00 12.11 O ATOM 1425 CB LEU B 26 -15.586 10.881 6.037 1.00 43.42 C ATOM 1426 CG LEU B 26 -14.077 10.639 6.062 1.00 30.13 C ATOM 1427 CD1 LEU B 26 -13.509 10.946 7.440 1.00 24.35 C ATOM 1428 CD2 LEU B 26 -13.761 9.206 5.660 1.00 74.21 C ATOM 0 H LEU B 26 -16.036 12.921 4.695 1.00 63.33 H new ATOM 0 HA LEU B 26 -15.691 10.157 4.017 1.00 63.23 H new ATOM 0 HB2 LEU B 26 -15.785 11.856 6.482 1.00 43.42 H new ATOM 0 HB3 LEU B 26 -16.064 10.137 6.674 1.00 43.42 H new ATOM 0 HG LEU B 26 -13.609 11.310 5.342 1.00 30.13 H new ATOM 0 HD11 LEU B 26 -12.434 10.768 7.438 1.00 24.35 H new ATOM 0 HD12 LEU B 26 -13.704 11.989 7.690 1.00 24.35 H new ATOM 0 HD13 LEU B 26 -13.982 10.301 8.181 1.00 24.35 H new ATOM 0 HD21 LEU B 26 -12.682 9.051 5.683 1.00 74.21 H new ATOM 0 HD22 LEU B 26 -14.241 8.518 6.356 1.00 74.21 H new ATOM 0 HD23 LEU B 26 -14.133 9.020 4.652 1.00 74.21 H new ATOM 1440 N GLU B 27 -18.604 11.205 5.122 1.00 75.14 N ATOM 1441 CA GLU B 27 -20.005 10.831 5.276 1.00 15.34 C ATOM 1442 C GLU B 27 -20.645 10.550 3.920 1.00 43.12 C ATOM 1443 O GLU B 27 -21.601 9.782 3.820 1.00 43.41 O ATOM 1444 CB GLU B 27 -20.776 11.941 5.995 1.00 33.42 C ATOM 1445 CG GLU B 27 -20.222 12.273 7.370 1.00 2.54 C ATOM 1446 CD GLU B 27 -20.400 13.735 7.734 1.00 24.24 C ATOM 1447 OE1 GLU B 27 -21.446 14.313 7.370 1.00 25.21 O ATOM 1448 OE2 GLU B 27 -19.495 14.301 8.381 1.00 75.53 O ATOM 0 H GLU B 27 -18.410 12.192 5.289 1.00 75.14 H new ATOM 0 HA GLU B 27 -20.048 9.921 5.875 1.00 15.34 H new ATOM 0 HB2 GLU B 27 -20.761 12.840 5.379 1.00 33.42 H new ATOM 0 HB3 GLU B 27 -21.819 11.641 6.095 1.00 33.42 H new ATOM 0 HG2 GLU B 27 -20.719 11.654 8.117 1.00 2.54 H new ATOM 0 HG3 GLU B 27 -19.162 12.021 7.401 1.00 2.54 H new ATOM 1455 N GLY B 28 -20.109 11.177 2.877 1.00 41.41 N ATOM 1456 CA GLY B 28 -20.641 10.981 1.540 1.00 14.42 C ATOM 1457 C GLY B 28 -22.132 11.239 1.466 1.00 1.10 C ATOM 1458 O GLY B 28 -22.927 10.305 1.366 1.00 71.04 O ATOM 0 H GLY B 28 -19.317 11.817 2.934 1.00 41.41 H new ATOM 0 HA2 GLY B 28 -20.126 11.645 0.846 1.00 14.42 H new ATOM 0 HA3 GLY B 28 -20.435 9.961 1.217 1.00 14.42 H new ATOM 1504 N GLY B 35 -20.790 7.096 9.866 1.00 73.32 N ATOM 1505 CA GLY B 35 -21.144 7.431 11.232 1.00 55.33 C ATOM 1506 C GLY B 35 -19.940 7.837 12.060 1.00 21.02 C ATOM 1507 O GLY B 35 -19.782 9.008 12.403 1.00 74.31 O ATOM 0 HA2 GLY B 35 -21.869 8.245 11.227 1.00 55.33 H new ATOM 0 HA3 GLY B 35 -21.630 6.574 11.699 1.00 55.33 H new ATOM 1511 N GLU B 36 -19.090 6.866 12.382 1.00 51.11 N ATOM 1512 CA GLU B 36 -17.896 7.130 13.176 1.00 52.15 C ATOM 1513 C GLU B 36 -16.919 8.018 12.412 1.00 75.35 C ATOM 1514 O GLU B 36 -16.202 8.825 13.004 1.00 53.41 O ATOM 1515 CB GLU B 36 -17.214 5.816 13.563 1.00 11.10 C ATOM 1516 CG GLU B 36 -15.857 6.005 14.220 1.00 75.12 C ATOM 1517 CD GLU B 36 -15.222 4.693 14.635 1.00 72.33 C ATOM 1518 OE1 GLU B 36 -14.246 4.273 13.978 1.00 64.15 O ATOM 1519 OE2 GLU B 36 -15.699 4.085 15.616 1.00 51.40 O ATOM 0 H GLU B 36 -19.206 5.891 12.105 1.00 51.11 H new ATOM 0 HA GLU B 36 -18.202 7.653 14.082 1.00 52.15 H new ATOM 0 HB2 GLU B 36 -17.864 5.266 14.243 1.00 11.10 H new ATOM 0 HB3 GLU B 36 -17.094 5.202 12.670 1.00 11.10 H new ATOM 0 HG2 GLU B 36 -15.192 6.524 13.529 1.00 75.12 H new ATOM 0 HG3 GLU B 36 -15.968 6.644 15.096 1.00 75.12 H new ATOM 1526 N LEU B 37 -16.895 7.861 11.093 1.00 13.14 N ATOM 1527 CA LEU B 37 -16.005 8.648 10.245 1.00 3.21 C ATOM 1528 C LEU B 37 -16.203 10.142 10.487 1.00 2.02 C ATOM 1529 O LEU B 37 -15.269 10.931 10.353 1.00 30.12 O ATOM 1530 CB LEU B 37 -16.252 8.322 8.772 1.00 73.51 C ATOM 1531 CG LEU B 37 -16.215 6.839 8.398 1.00 22.12 C ATOM 1532 CD1 LEU B 37 -16.395 6.662 6.898 1.00 42.50 C ATOM 1533 CD2 LEU B 37 -14.911 6.205 8.859 1.00 73.14 C ATOM 0 H LEU B 37 -17.481 7.197 10.587 1.00 13.14 H new ATOM 0 HA LEU B 37 -14.977 8.390 10.501 1.00 3.21 H new ATOM 0 HB2 LEU B 37 -17.225 8.723 8.490 1.00 73.51 H new ATOM 0 HB3 LEU B 37 -15.506 8.846 8.174 1.00 73.51 H new ATOM 0 HG LEU B 37 -17.039 6.336 8.904 1.00 22.12 H new ATOM 0 HD11 LEU B 37 -16.366 5.601 6.651 1.00 42.50 H new ATOM 0 HD12 LEU B 37 -17.355 7.079 6.595 1.00 42.50 H new ATOM 0 HD13 LEU B 37 -15.593 7.179 6.372 1.00 42.50 H new ATOM 0 HD21 LEU B 37 -14.902 5.150 8.585 1.00 73.14 H new ATOM 0 HD22 LEU B 37 -14.072 6.711 8.382 1.00 73.14 H new ATOM 0 HD23 LEU B 37 -14.823 6.299 9.941 1.00 73.14 H new ATOM 1545 N MET B 38 -17.426 10.522 10.845 1.00 72.51 N ATOM 1546 CA MET B 38 -17.745 11.920 11.108 1.00 74.34 C ATOM 1547 C MET B 38 -17.188 12.359 12.459 1.00 5.05 C ATOM 1548 O MET B 38 -16.867 13.532 12.658 1.00 61.43 O ATOM 1549 CB MET B 38 -19.259 12.135 11.073 1.00 62.34 C ATOM 1550 CG MET B 38 -19.686 13.523 11.521 1.00 3.14 C ATOM 1551 SD MET B 38 -21.328 13.971 10.925 1.00 23.34 S ATOM 1552 CE MET B 38 -22.285 12.561 11.477 1.00 2.01 C ATOM 0 H MET B 38 -18.211 9.881 10.959 1.00 72.51 H new ATOM 0 HA MET B 38 -17.282 12.526 10.329 1.00 74.34 H new ATOM 0 HB2 MET B 38 -19.619 11.963 10.059 1.00 62.34 H new ATOM 0 HB3 MET B 38 -19.738 11.393 11.711 1.00 62.34 H new ATOM 0 HG2 MET B 38 -19.674 13.569 12.610 1.00 3.14 H new ATOM 0 HG3 MET B 38 -18.962 14.255 11.163 1.00 3.14 H new ATOM 0 HE1 MET B 38 -23.348 12.794 11.409 1.00 2.01 H new ATOM 0 HE2 MET B 38 -22.061 11.700 10.847 1.00 2.01 H new ATOM 0 HE3 MET B 38 -22.029 12.330 12.511 1.00 2.01 H new ATOM 1562 N LYS B 39 -17.077 11.413 13.384 1.00 31.30 N ATOM 1563 CA LYS B 39 -16.558 11.701 14.715 1.00 71.04 C ATOM 1564 C LYS B 39 -15.042 11.866 14.686 1.00 32.15 C ATOM 1565 O LYS B 39 -14.485 12.709 15.391 1.00 30.20 O ATOM 1566 CB LYS B 39 -16.940 10.582 15.688 1.00 31.41 C ATOM 1567 CG LYS B 39 -16.311 10.730 17.063 1.00 24.21 C ATOM 1568 CD LYS B 39 -15.320 9.614 17.346 1.00 63.42 C ATOM 1569 CE LYS B 39 -14.207 10.079 18.272 1.00 74.33 C ATOM 1570 NZ LYS B 39 -14.670 10.190 19.683 1.00 14.32 N ATOM 0 H LYS B 39 -17.340 10.439 13.236 1.00 31.30 H new ATOM 0 HA LYS B 39 -17.001 12.637 15.054 1.00 71.04 H new ATOM 0 HB2 LYS B 39 -18.025 10.559 15.794 1.00 31.41 H new ATOM 0 HB3 LYS B 39 -16.641 9.624 15.262 1.00 31.41 H new ATOM 0 HG2 LYS B 39 -15.805 11.693 17.131 1.00 24.21 H new ATOM 0 HG3 LYS B 39 -17.092 10.726 17.824 1.00 24.21 H new ATOM 0 HD2 LYS B 39 -15.841 8.769 17.797 1.00 63.42 H new ATOM 0 HD3 LYS B 39 -14.891 9.260 16.408 1.00 63.42 H new ATOM 0 HE2 LYS B 39 -13.373 9.379 18.217 1.00 74.33 H new ATOM 0 HE3 LYS B 39 -13.834 11.046 17.935 1.00 74.33 H new ATOM 0 HZ1 LYS B 39 -13.883 10.510 20.283 1.00 14.32 H new ATOM 0 HZ2 LYS B 39 -15.449 10.877 19.740 1.00 14.32 H new ATOM 0 HZ3 LYS B 39 -15.002 9.261 20.013 1.00 14.32 H new ATOM 1584 N LEU B 40 -14.380 11.060 13.864 1.00 23.34 N ATOM 1585 CA LEU B 40 -12.927 11.118 13.739 1.00 41.13 C ATOM 1586 C LEU B 40 -12.486 12.443 13.129 1.00 2.15 C ATOM 1587 O LEU B 40 -11.518 13.056 13.583 1.00 44.33 O ATOM 1588 CB LEU B 40 -12.422 9.955 12.883 1.00 53.32 C ATOM 1589 CG LEU B 40 -11.000 9.475 13.176 1.00 34.24 C ATOM 1590 CD1 LEU B 40 -10.968 7.963 13.333 1.00 2.51 C ATOM 1591 CD2 LEU B 40 -10.050 9.918 12.072 1.00 24.43 C ATOM 0 H LEU B 40 -14.826 10.358 13.273 1.00 23.34 H new ATOM 0 HA LEU B 40 -12.497 11.039 14.738 1.00 41.13 H new ATOM 0 HB2 LEU B 40 -13.102 9.113 13.012 1.00 53.32 H new ATOM 0 HB3 LEU B 40 -12.476 10.251 11.835 1.00 53.32 H new ATOM 0 HG LEU B 40 -10.672 9.924 14.113 1.00 34.24 H new ATOM 0 HD11 LEU B 40 -9.948 7.640 13.541 1.00 2.51 H new ATOM 0 HD12 LEU B 40 -11.617 7.669 14.158 1.00 2.51 H new ATOM 0 HD13 LEU B 40 -11.316 7.494 12.413 1.00 2.51 H new ATOM 0 HD21 LEU B 40 -9.043 9.568 12.297 1.00 24.43 H new ATOM 0 HD22 LEU B 40 -10.376 9.498 11.121 1.00 24.43 H new ATOM 0 HD23 LEU B 40 -10.050 11.006 12.007 1.00 24.43 H new ATOM 1603 N CYS B 41 -13.201 12.882 12.099 1.00 22.41 N ATOM 1604 CA CYS B 41 -12.884 14.137 11.426 1.00 53.21 C ATOM 1605 C CYS B 41 -13.288 15.332 12.285 1.00 62.24 C ATOM 1606 O CYS B 41 -12.566 16.323 12.364 1.00 15.34 O ATOM 1607 CB CYS B 41 -13.588 14.206 10.072 1.00 23.54 C ATOM 1608 SG CYS B 41 -12.621 15.016 8.775 1.00 52.34 S ATOM 0 H CYS B 41 -14.004 12.387 11.711 1.00 22.41 H new ATOM 0 HA CYS B 41 -11.806 14.174 11.268 1.00 53.21 H new ATOM 0 HB2 CYS B 41 -13.832 13.194 9.750 1.00 23.54 H new ATOM 0 HB3 CYS B 41 -14.532 14.738 10.192 1.00 23.54 H new ATOM 0 HG CYS B 41 -11.424 15.265 9.217 1.00 52.34 H new ATOM 1614 N GLU B 42 -14.449 15.228 12.924 1.00 24.03 N ATOM 1615 CA GLU B 42 -14.950 16.301 13.775 1.00 23.43 C ATOM 1616 C GLU B 42 -14.055 16.490 14.996 1.00 5.35 C ATOM 1617 O GLU B 42 -13.928 17.598 15.518 1.00 24.10 O ATOM 1618 CB GLU B 42 -16.384 16.002 14.220 1.00 31.31 C ATOM 1619 CG GLU B 42 -16.947 17.028 15.188 1.00 0.44 C ATOM 1620 CD GLU B 42 -16.833 16.589 16.636 1.00 5.25 C ATOM 1621 OE1 GLU B 42 -17.083 15.397 16.914 1.00 54.52 O ATOM 1622 OE2 GLU B 42 -16.495 17.436 17.489 1.00 25.32 O ATOM 0 H GLU B 42 -15.060 14.413 12.869 1.00 24.03 H new ATOM 0 HA GLU B 42 -14.943 17.224 13.195 1.00 23.43 H new ATOM 0 HB2 GLU B 42 -17.026 15.954 13.340 1.00 31.31 H new ATOM 0 HB3 GLU B 42 -16.412 15.018 14.689 1.00 31.31 H new ATOM 0 HG2 GLU B 42 -16.420 17.973 15.056 1.00 0.44 H new ATOM 0 HG3 GLU B 42 -17.995 17.211 14.949 1.00 0.44 H new ATOM 1629 N GLU B 43 -13.439 15.402 15.445 1.00 11.53 N ATOM 1630 CA GLU B 43 -12.557 15.449 16.605 1.00 13.11 C ATOM 1631 C GLU B 43 -11.500 16.537 16.442 1.00 32.01 C ATOM 1632 O GLU B 43 -11.179 17.253 17.391 1.00 72.44 O ATOM 1633 CB GLU B 43 -11.880 14.092 16.814 1.00 13.25 C ATOM 1634 CG GLU B 43 -11.213 13.948 18.172 1.00 72.35 C ATOM 1635 CD GLU B 43 -12.172 13.470 19.245 1.00 11.41 C ATOM 1636 OE1 GLU B 43 -11.714 12.802 20.195 1.00 60.22 O ATOM 1637 OE2 GLU B 43 -13.380 13.765 19.135 1.00 4.13 O ATOM 0 H GLU B 43 -13.534 14.478 15.024 1.00 11.53 H new ATOM 0 HA GLU B 43 -13.163 15.684 17.480 1.00 13.11 H new ATOM 0 HB2 GLU B 43 -12.623 13.303 16.698 1.00 13.25 H new ATOM 0 HB3 GLU B 43 -11.133 13.944 16.034 1.00 13.25 H new ATOM 0 HG2 GLU B 43 -10.383 13.246 18.092 1.00 72.35 H new ATOM 0 HG3 GLU B 43 -10.791 14.908 18.469 1.00 72.35 H new ATOM 1644 N ALA B 44 -10.962 16.655 15.233 1.00 1.23 N ATOM 1645 CA ALA B 44 -9.943 17.656 14.944 1.00 3.23 C ATOM 1646 C ALA B 44 -10.486 19.067 15.149 1.00 11.20 C ATOM 1647 O ALA B 44 -9.744 19.981 15.508 1.00 54.05 O ATOM 1648 CB ALA B 44 -9.427 17.490 13.523 1.00 64.44 C ATOM 0 H ALA B 44 -11.215 16.069 14.437 1.00 1.23 H new ATOM 0 HA ALA B 44 -9.116 17.507 15.639 1.00 3.23 H new ATOM 0 HB1 ALA B 44 -8.667 18.245 13.322 1.00 64.44 H new ATOM 0 HB2 ALA B 44 -8.993 16.497 13.407 1.00 64.44 H new ATOM 0 HB3 ALA B 44 -10.252 17.609 12.820 1.00 64.44 H new ATOM 1654 N ALA B 45 -11.783 19.236 14.918 1.00 13.50 N ATOM 1655 CA ALA B 45 -12.424 20.536 15.080 1.00 63.15 C ATOM 1656 C ALA B 45 -12.610 20.877 16.555 1.00 33.23 C ATOM 1657 O ALA B 45 -12.584 22.047 16.939 1.00 60.45 O ATOM 1658 CB ALA B 45 -13.764 20.556 14.359 1.00 63.12 C ATOM 0 H ALA B 45 -12.411 18.490 14.618 1.00 13.50 H new ATOM 0 HA ALA B 45 -11.774 21.292 14.639 1.00 63.15 H new ATOM 0 HB1 ALA B 45 -14.232 21.532 14.488 1.00 63.12 H new ATOM 0 HB2 ALA B 45 -13.609 20.365 13.297 1.00 63.12 H new ATOM 0 HB3 ALA B 45 -14.413 19.785 14.775 1.00 63.12 H new ATOM 1664 N LYS B 46 -12.795 19.851 17.376 1.00 61.43 N ATOM 1665 CA LYS B 46 -12.984 20.041 18.810 1.00 32.43 C ATOM 1666 C LYS B 46 -11.818 20.818 19.413 1.00 24.04 C ATOM 1667 O LYS B 46 -12.016 21.838 20.075 1.00 74.34 O ATOM 1668 CB LYS B 46 -13.126 18.688 19.510 1.00 74.13 C ATOM 1669 CG LYS B 46 -14.174 18.679 20.610 1.00 73.21 C ATOM 1670 CD LYS B 46 -13.544 18.857 21.981 1.00 40.13 C ATOM 1671 CE LYS B 46 -14.496 18.435 23.090 1.00 13.43 C ATOM 1672 NZ LYS B 46 -13.767 18.031 24.324 1.00 73.45 N ATOM 0 H LYS B 46 -12.818 18.877 17.074 1.00 61.43 H new ATOM 0 HA LYS B 46 -13.897 20.617 18.958 1.00 32.43 H new ATOM 0 HB2 LYS B 46 -13.382 17.930 18.769 1.00 74.13 H new ATOM 0 HB3 LYS B 46 -12.163 18.405 19.935 1.00 74.13 H new ATOM 0 HG2 LYS B 46 -14.895 19.477 20.433 1.00 73.21 H new ATOM 0 HG3 LYS B 46 -14.725 17.739 20.581 1.00 73.21 H new ATOM 0 HD2 LYS B 46 -12.629 18.268 22.042 1.00 40.13 H new ATOM 0 HD3 LYS B 46 -13.261 19.900 22.120 1.00 40.13 H new ATOM 0 HE2 LYS B 46 -15.172 19.258 23.321 1.00 13.43 H new ATOM 0 HE3 LYS B 46 -15.111 17.605 22.744 1.00 13.43 H new ATOM 0 HZ1 LYS B 46 -14.451 17.751 25.055 1.00 73.45 H new ATOM 0 HZ2 LYS B 46 -13.141 17.229 24.110 1.00 73.45 H new ATOM 0 HZ3 LYS B 46 -13.199 18.831 24.669 1.00 73.45 H new ATOM 1686 N LYS B 47 -10.605 20.331 19.178 1.00 11.55 N ATOM 1687 CA LYS B 47 -9.407 20.982 19.696 1.00 13.21 C ATOM 1688 C LYS B 47 -9.343 22.439 19.250 1.00 12.51 C ATOM 1689 O LYS B 47 -8.731 23.276 19.916 1.00 31.51 O ATOM 1690 CB LYS B 47 -8.154 20.239 19.226 1.00 44.44 C ATOM 1691 CG LYS B 47 -8.125 18.777 19.637 1.00 60.02 C ATOM 1692 CD LYS B 47 -7.633 18.608 21.065 1.00 44.21 C ATOM 1693 CE LYS B 47 -8.713 18.017 21.960 1.00 31.45 C ATOM 1694 NZ LYS B 47 -8.323 18.054 23.397 1.00 24.11 N ATOM 0 H LYS B 47 -10.425 19.488 18.633 1.00 11.55 H new ATOM 0 HA LYS B 47 -9.452 20.955 20.785 1.00 13.21 H new ATOM 0 HB2 LYS B 47 -8.089 20.304 18.140 1.00 44.44 H new ATOM 0 HB3 LYS B 47 -7.273 20.739 19.628 1.00 44.44 H new ATOM 0 HG2 LYS B 47 -9.124 18.352 19.543 1.00 60.02 H new ATOM 0 HG3 LYS B 47 -7.477 18.221 18.960 1.00 60.02 H new ATOM 0 HD2 LYS B 47 -6.756 17.961 21.075 1.00 44.21 H new ATOM 0 HD3 LYS B 47 -7.320 19.574 21.460 1.00 44.21 H new ATOM 0 HE2 LYS B 47 -9.642 18.570 21.821 1.00 31.45 H new ATOM 0 HE3 LYS B 47 -8.908 16.987 21.663 1.00 31.45 H new ATOM 0 HZ1 LYS B 47 -8.818 17.297 23.911 1.00 24.11 H new ATOM 0 HZ2 LYS B 47 -7.296 17.916 23.482 1.00 24.11 H new ATOM 0 HZ3 LYS B 47 -8.583 18.975 23.804 1.00 24.11 H new ATOM 1708 N ALA B 48 -9.979 22.736 18.122 1.00 14.34 N ATOM 1709 CA ALA B 48 -9.996 24.094 17.590 1.00 23.41 C ATOM 1710 C ALA B 48 -10.934 24.987 18.395 1.00 43.23 C ATOM 1711 O ALA B 48 -10.753 26.202 18.451 1.00 33.42 O ATOM 1712 CB ALA B 48 -10.405 24.080 16.124 1.00 0.34 C ATOM 0 H ALA B 48 -10.489 22.056 17.559 1.00 14.34 H new ATOM 0 HA ALA B 48 -8.989 24.503 17.671 1.00 23.41 H new ATOM 0 HB1 ALA B 48 -10.414 25.100 15.739 1.00 0.34 H new ATOM 0 HB2 ALA B 48 -9.694 23.483 15.553 1.00 0.34 H new ATOM 0 HB3 ALA B 48 -11.401 23.647 16.028 1.00 0.34 H new ATOM 1718 N GLU B 49 -11.939 24.375 19.016 1.00 71.00 N ATOM 1719 CA GLU B 49 -12.905 25.117 19.816 1.00 44.41 C ATOM 1720 C GLU B 49 -12.293 25.553 21.144 1.00 0.03 C ATOM 1721 O GLU B 49 -12.626 26.613 21.673 1.00 13.30 O ATOM 1722 CB GLU B 49 -14.150 24.263 20.073 1.00 11.22 C ATOM 1723 CG GLU B 49 -15.261 25.009 20.793 1.00 45.12 C ATOM 1724 CD GLU B 49 -15.938 26.041 19.912 1.00 33.13 C ATOM 1725 OE1 GLU B 49 -16.805 26.780 20.424 1.00 60.33 O ATOM 1726 OE2 GLU B 49 -15.600 26.111 18.711 1.00 54.45 O ATOM 0 H GLU B 49 -12.104 23.369 18.980 1.00 71.00 H new ATOM 0 HA GLU B 49 -13.191 26.008 19.258 1.00 44.41 H new ATOM 0 HB2 GLU B 49 -14.530 23.893 19.121 1.00 11.22 H new ATOM 0 HB3 GLU B 49 -13.867 23.391 20.663 1.00 11.22 H new ATOM 0 HG2 GLU B 49 -16.004 24.294 21.145 1.00 45.12 H new ATOM 0 HG3 GLU B 49 -14.850 25.502 21.674 1.00 45.12 H new ATOM 1733 N GLU B 50 -11.396 24.729 21.675 1.00 64.04 N ATOM 1734 CA GLU B 50 -10.738 25.029 22.941 1.00 21.33 C ATOM 1735 C GLU B 50 -9.571 25.989 22.733 1.00 34.03 C ATOM 1736 O GLU B 50 -9.231 26.773 23.620 1.00 31.41 O ATOM 1737 CB GLU B 50 -10.241 23.740 23.601 1.00 4.43 C ATOM 1738 CG GLU B 50 -9.225 22.981 22.765 1.00 53.33 C ATOM 1739 CD GLU B 50 -8.597 21.825 23.519 1.00 71.04 C ATOM 1740 OE1 GLU B 50 -9.353 20.979 24.043 1.00 72.00 O ATOM 1741 OE2 GLU B 50 -7.351 21.765 23.587 1.00 4.53 O ATOM 0 H GLU B 50 -11.108 23.848 21.248 1.00 64.04 H new ATOM 0 HA GLU B 50 -11.467 25.507 23.596 1.00 21.33 H new ATOM 0 HB2 GLU B 50 -9.796 23.984 24.566 1.00 4.43 H new ATOM 0 HB3 GLU B 50 -11.094 23.091 23.799 1.00 4.43 H new ATOM 0 HG2 GLU B 50 -9.710 22.602 21.865 1.00 53.33 H new ATOM 0 HG3 GLU B 50 -8.442 23.666 22.440 1.00 53.33 H new ATOM 1748 N LEU B 51 -8.960 25.923 21.555 1.00 71.43 N ATOM 1749 CA LEU B 51 -7.829 26.785 21.228 1.00 4.40 C ATOM 1750 C LEU B 51 -8.268 28.242 21.129 1.00 25.21 C ATOM 1751 O LEU B 51 -7.620 29.135 21.676 1.00 4.01 O ATOM 1752 CB LEU B 51 -7.189 26.342 19.912 1.00 14.21 C ATOM 1753 CG LEU B 51 -5.857 25.601 20.030 1.00 31.01 C ATOM 1754 CD1 LEU B 51 -6.041 24.288 20.774 1.00 61.33 C ATOM 1755 CD2 LEU B 51 -5.259 25.356 18.653 1.00 33.31 C ATOM 0 H LEU B 51 -9.229 25.281 20.810 1.00 71.43 H new ATOM 0 HA LEU B 51 -7.094 26.699 22.028 1.00 4.40 H new ATOM 0 HB2 LEU B 51 -7.895 25.699 19.386 1.00 14.21 H new ATOM 0 HB3 LEU B 51 -7.037 27.224 19.290 1.00 14.21 H new ATOM 0 HG LEU B 51 -5.166 26.224 20.599 1.00 31.01 H new ATOM 0 HD11 LEU B 51 -5.082 23.774 20.848 1.00 61.33 H new ATOM 0 HD12 LEU B 51 -6.424 24.487 21.775 1.00 61.33 H new ATOM 0 HD13 LEU B 51 -6.748 23.659 20.233 1.00 61.33 H new ATOM 0 HD21 LEU B 51 -4.311 24.828 18.757 1.00 33.31 H new ATOM 0 HD22 LEU B 51 -5.947 24.754 18.059 1.00 33.31 H new ATOM 0 HD23 LEU B 51 -5.090 26.311 18.155 1.00 33.31 H new ATOM 1767 N PHE B 52 -9.373 28.476 20.428 1.00 70.21 N ATOM 1768 CA PHE B 52 -9.900 29.826 20.258 1.00 60.43 C ATOM 1769 C PHE B 52 -10.128 30.495 21.610 1.00 71.42 C ATOM 1770 O PHE B 52 -9.972 31.709 21.749 1.00 63.25 O ATOM 1771 CB PHE B 52 -11.209 29.789 19.468 1.00 25.23 C ATOM 1772 CG PHE B 52 -11.235 30.741 18.307 1.00 32.42 C ATOM 1773 CD1 PHE B 52 -11.116 32.106 18.511 1.00 24.45 C ATOM 1774 CD2 PHE B 52 -11.378 30.271 17.011 1.00 2.24 C ATOM 1775 CE1 PHE B 52 -11.139 32.986 17.444 1.00 71.30 C ATOM 1776 CE2 PHE B 52 -11.402 31.145 15.941 1.00 2.43 C ATOM 1777 CZ PHE B 52 -11.283 32.505 16.157 1.00 71.33 C ATOM 0 H PHE B 52 -9.921 27.749 19.969 1.00 70.21 H new ATOM 0 HA PHE B 52 -9.165 30.409 19.703 1.00 60.43 H new ATOM 0 HB2 PHE B 52 -11.374 28.776 19.101 1.00 25.23 H new ATOM 0 HB3 PHE B 52 -12.036 30.024 20.139 1.00 25.23 H new ATOM 0 HD1 PHE B 52 -11.004 32.488 19.515 1.00 24.45 H new ATOM 0 HD2 PHE B 52 -11.472 29.209 16.835 1.00 2.24 H new ATOM 0 HE1 PHE B 52 -11.044 34.048 17.617 1.00 71.30 H new ATOM 0 HE2 PHE B 52 -11.514 30.765 14.936 1.00 2.43 H new ATOM 0 HZ PHE B 52 -11.303 33.190 15.322 1.00 71.33 H new ATOM 1787 N LYS B 53 -10.497 29.695 22.605 1.00 23.32 N ATOM 1788 CA LYS B 53 -10.746 30.208 23.947 1.00 51.24 C ATOM 1789 C LYS B 53 -9.465 30.759 24.565 1.00 4.33 C ATOM 1790 O LYS B 53 -9.480 31.800 25.224 1.00 21.12 O ATOM 1791 CB LYS B 53 -11.321 29.104 24.838 1.00 42.11 C ATOM 1792 CG LYS B 53 -12.725 29.396 25.339 1.00 55.24 C ATOM 1793 CD LYS B 53 -13.779 28.765 24.445 1.00 12.44 C ATOM 1794 CE LYS B 53 -15.182 29.168 24.869 1.00 25.31 C ATOM 1795 NZ LYS B 53 -15.641 30.400 24.169 1.00 2.24 N ATOM 0 H LYS B 53 -10.630 28.688 22.507 1.00 23.32 H new ATOM 0 HA LYS B 53 -11.470 31.019 23.871 1.00 51.24 H new ATOM 0 HB2 LYS B 53 -11.331 28.167 24.281 1.00 42.11 H new ATOM 0 HB3 LYS B 53 -10.662 28.959 25.694 1.00 42.11 H new ATOM 0 HG2 LYS B 53 -12.835 29.018 26.355 1.00 55.24 H new ATOM 0 HG3 LYS B 53 -12.880 30.474 25.381 1.00 55.24 H new ATOM 0 HD2 LYS B 53 -13.609 29.067 23.411 1.00 12.44 H new ATOM 0 HD3 LYS B 53 -13.685 27.680 24.480 1.00 12.44 H new ATOM 0 HE2 LYS B 53 -15.873 28.352 24.659 1.00 25.31 H new ATOM 0 HE3 LYS B 53 -15.202 29.333 25.946 1.00 25.31 H new ATOM 0 HZ1 LYS B 53 -16.602 30.642 24.486 1.00 2.24 H new ATOM 0 HZ2 LYS B 53 -14.996 31.185 24.390 1.00 2.24 H new ATOM 0 HZ3 LYS B 53 -15.646 30.234 23.142 1.00 2.24 H new ATOM 1809 N LEU B 54 -8.360 30.057 24.349 1.00 32.52 N ATOM 1810 CA LEU B 54 -7.069 30.478 24.883 1.00 33.51 C ATOM 1811 C LEU B 54 -6.481 31.616 24.055 1.00 51.53 C ATOM 1812 O LEU B 54 -6.009 32.614 24.600 1.00 41.23 O ATOM 1813 CB LEU B 54 -6.096 29.297 24.910 1.00 22.22 C ATOM 1814 CG LEU B 54 -5.783 28.718 26.290 1.00 73.12 C ATOM 1815 CD1 LEU B 54 -6.939 27.862 26.785 1.00 23.22 C ATOM 1816 CD2 LEU B 54 -4.496 27.905 26.247 1.00 3.53 C ATOM 0 H LEU B 54 -8.331 29.193 23.808 1.00 32.52 H new ATOM 0 HA LEU B 54 -7.225 30.837 25.900 1.00 33.51 H new ATOM 0 HB2 LEU B 54 -6.505 28.501 24.288 1.00 22.22 H new ATOM 0 HB3 LEU B 54 -5.160 29.612 24.449 1.00 22.22 H new ATOM 0 HG LEU B 54 -5.645 29.545 26.987 1.00 73.12 H new ATOM 0 HD11 LEU B 54 -6.698 27.459 27.768 1.00 23.22 H new ATOM 0 HD12 LEU B 54 -7.840 28.472 26.854 1.00 23.22 H new ATOM 0 HD13 LEU B 54 -7.109 27.041 26.088 1.00 23.22 H new ATOM 0 HD21 LEU B 54 -4.288 27.500 27.237 1.00 3.53 H new ATOM 0 HD22 LEU B 54 -4.607 27.086 25.536 1.00 3.53 H new ATOM 0 HD23 LEU B 54 -3.671 28.546 25.937 1.00 3.53 H new ATOM 1828 N ALA B 55 -6.517 31.461 22.736 1.00 34.43 N ATOM 1829 CA ALA B 55 -5.992 32.478 21.833 1.00 63.20 C ATOM 1830 C ALA B 55 -6.666 33.825 22.072 1.00 72.32 C ATOM 1831 O ALA B 55 -6.056 34.876 21.879 1.00 44.43 O ATOM 1832 CB ALA B 55 -6.174 32.043 20.386 1.00 21.24 C ATOM 0 H ALA B 55 -6.904 30.641 22.269 1.00 34.43 H new ATOM 0 HA ALA B 55 -4.927 32.594 22.035 1.00 63.20 H new ATOM 0 HB1 ALA B 55 -5.778 32.812 19.722 1.00 21.24 H new ATOM 0 HB2 ALA B 55 -5.640 31.108 20.217 1.00 21.24 H new ATOM 0 HB3 ALA B 55 -7.235 31.898 20.180 1.00 21.24 H new ATOM 1838 N GLU B 56 -7.927 33.785 22.490 1.00 54.14 N ATOM 1839 CA GLU B 56 -8.682 35.003 22.754 1.00 4.51 C ATOM 1840 C GLU B 56 -8.147 35.720 23.989 1.00 53.51 C ATOM 1841 O GLU B 56 -7.898 36.925 23.961 1.00 5.21 O ATOM 1842 CB GLU B 56 -10.166 34.679 22.943 1.00 30.15 C ATOM 1843 CG GLU B 56 -11.043 35.146 21.794 1.00 25.14 C ATOM 1844 CD GLU B 56 -12.454 34.599 21.876 1.00 44.12 C ATOM 1845 OE1 GLU B 56 -13.352 35.172 21.223 1.00 13.24 O ATOM 1846 OE2 GLU B 56 -12.662 33.599 22.594 1.00 43.13 O ATOM 0 H GLU B 56 -8.447 32.923 22.653 1.00 54.14 H new ATOM 0 HA GLU B 56 -8.567 35.663 21.894 1.00 4.51 H new ATOM 0 HB2 GLU B 56 -10.281 33.602 23.062 1.00 30.15 H new ATOM 0 HB3 GLU B 56 -10.515 35.141 23.866 1.00 30.15 H new ATOM 0 HG2 GLU B 56 -11.080 36.235 21.790 1.00 25.14 H new ATOM 0 HG3 GLU B 56 -10.593 34.838 20.850 1.00 25.14 H new ATOM 1853 N GLU B 57 -7.971 34.970 25.072 1.00 62.15 N ATOM 1854 CA GLU B 57 -7.466 35.534 26.319 1.00 20.35 C ATOM 1855 C GLU B 57 -6.036 36.038 26.147 1.00 72.31 C ATOM 1856 O GLU B 57 -5.593 36.939 26.860 1.00 23.32 O ATOM 1857 CB GLU B 57 -7.520 34.491 27.436 1.00 64.13 C ATOM 1858 CG GLU B 57 -7.731 35.088 28.817 1.00 53.30 C ATOM 1859 CD GLU B 57 -8.295 34.087 29.807 1.00 32.15 C ATOM 1860 OE1 GLU B 57 -7.501 33.318 30.388 1.00 44.24 O ATOM 1861 OE2 GLU B 57 -9.529 34.072 29.998 1.00 62.33 O ATOM 0 H GLU B 57 -8.170 33.970 25.111 1.00 62.15 H new ATOM 0 HA GLU B 57 -8.101 36.378 26.590 1.00 20.35 H new ATOM 0 HB2 GLU B 57 -8.326 33.788 27.226 1.00 64.13 H new ATOM 0 HB3 GLU B 57 -6.591 33.921 27.434 1.00 64.13 H new ATOM 0 HG2 GLU B 57 -6.781 35.469 29.193 1.00 53.30 H new ATOM 0 HG3 GLU B 57 -8.408 35.939 28.741 1.00 53.30 H new ATOM 1868 N ARG B 58 -5.317 35.448 25.196 1.00 14.30 N ATOM 1869 CA ARG B 58 -3.937 35.835 24.932 1.00 55.31 C ATOM 1870 C ARG B 58 -3.879 37.058 24.022 1.00 63.54 C ATOM 1871 O ARG B 58 -3.025 37.930 24.188 1.00 4.41 O ATOM 1872 CB ARG B 58 -3.173 34.674 24.293 1.00 60.55 C ATOM 1873 CG ARG B 58 -3.201 33.398 25.119 1.00 53.31 C ATOM 1874 CD ARG B 58 -1.990 33.300 26.033 1.00 71.53 C ATOM 1875 NE ARG B 58 -2.365 33.316 27.443 1.00 10.40 N ATOM 1876 CZ ARG B 58 -1.506 33.546 28.430 1.00 42.53 C ATOM 1877 NH1 ARG B 58 -0.228 33.778 28.161 1.00 44.02 N ATOM 1878 NH2 ARG B 58 -1.925 33.545 29.690 1.00 73.00 N ATOM 0 H ARG B 58 -5.668 34.701 24.597 1.00 14.30 H new ATOM 0 HA ARG B 58 -3.469 36.089 25.883 1.00 55.31 H new ATOM 0 HB2 ARG B 58 -3.596 34.469 23.310 1.00 60.55 H new ATOM 0 HB3 ARG B 58 -2.137 34.974 24.138 1.00 60.55 H new ATOM 0 HG2 ARG B 58 -4.112 33.370 25.716 1.00 53.31 H new ATOM 0 HG3 ARG B 58 -3.228 32.534 24.455 1.00 53.31 H new ATOM 0 HD2 ARG B 58 -1.444 32.382 25.814 1.00 71.53 H new ATOM 0 HD3 ARG B 58 -1.314 34.130 25.829 1.00 71.53 H new ATOM 0 HE ARG B 58 -3.340 33.141 27.684 1.00 10.40 H new ATOM 0 HH11 ARG B 58 0.097 33.780 27.194 1.00 44.02 H new ATOM 0 HH12 ARG B 58 0.429 33.954 28.921 1.00 44.02 H new ATOM 0 HH21 ARG B 58 -2.907 33.368 29.901 1.00 73.00 H new ATOM 0 HH22 ARG B 58 -1.265 33.722 30.447 1.00 73.00 H new ATOM 1892 N LEU B 59 -4.792 37.115 23.057 1.00 52.52 N ATOM 1893 CA LEU B 59 -4.846 38.231 22.120 1.00 44.12 C ATOM 1894 C LEU B 59 -5.906 39.244 22.539 1.00 32.22 C ATOM 1895 O LEU B 59 -6.424 39.995 21.713 1.00 2.42 O ATOM 1896 CB LEU B 59 -5.141 37.722 20.707 1.00 44.34 C ATOM 1897 CG LEU B 59 -4.172 36.675 20.155 1.00 4.32 C ATOM 1898 CD1 LEU B 59 -4.513 36.342 18.711 1.00 2.42 C ATOM 1899 CD2 LEU B 59 -2.737 37.168 20.265 1.00 54.41 C ATOM 0 H LEU B 59 -5.504 36.401 22.904 1.00 52.52 H new ATOM 0 HA LEU B 59 -3.875 38.726 22.127 1.00 44.12 H new ATOM 0 HB2 LEU B 59 -6.146 37.299 20.697 1.00 44.34 H new ATOM 0 HB3 LEU B 59 -5.147 38.575 20.029 1.00 44.34 H new ATOM 0 HG LEU B 59 -4.270 35.767 20.749 1.00 4.32 H new ATOM 0 HD11 LEU B 59 -3.813 35.596 18.335 1.00 2.42 H new ATOM 0 HD12 LEU B 59 -5.528 35.947 18.658 1.00 2.42 H new ATOM 0 HD13 LEU B 59 -4.443 37.244 18.103 1.00 2.42 H new ATOM 0 HD21 LEU B 59 -2.061 36.411 19.868 1.00 54.41 H new ATOM 0 HD22 LEU B 59 -2.624 38.090 19.695 1.00 54.41 H new ATOM 0 HD23 LEU B 59 -2.496 37.357 21.311 1.00 54.41 H new