USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=3 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=-0.00768 (180deg=-0.00768) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 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 -150:sc= -0.599 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 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot 73:sc= -0.271! USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 146:sc= 0.755 (180deg=0.216) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 4 -10.745 7.887 -3.020 1.00 51.24 N ATOM 63 CA LEU A 4 -11.423 8.857 -2.166 1.00 62.32 C ATOM 64 C LEU A 4 -11.144 8.575 -0.693 1.00 23.23 C ATOM 65 O LEU A 4 -11.000 9.496 0.109 1.00 4.21 O ATOM 66 CB LEU A 4 -12.930 8.829 -2.426 1.00 1.31 C ATOM 67 CG LEU A 4 -13.585 7.448 -2.431 1.00 52.22 C ATOM 68 CD1 LEU A 4 -14.494 7.284 -1.223 1.00 71.52 C ATOM 69 CD2 LEU A 4 -14.364 7.233 -3.720 1.00 61.53 C ATOM 0 HA LEU A 4 -11.037 9.848 -2.406 1.00 62.32 H new ATOM 0 HB2 LEU A 4 -13.421 9.439 -1.667 1.00 1.31 H new ATOM 0 HB3 LEU A 4 -13.121 9.303 -3.389 1.00 1.31 H new ATOM 0 HG LEU A 4 -12.800 6.694 -2.374 1.00 52.22 H new ATOM 0 HD11 LEU A 4 -14.952 6.295 -1.244 1.00 71.52 H new ATOM 0 HD12 LEU A 4 -13.909 7.394 -0.310 1.00 71.52 H new ATOM 0 HD13 LEU A 4 -15.274 8.045 -1.249 1.00 71.52 H new ATOM 0 HD21 LEU A 4 -14.824 6.245 -3.707 1.00 61.53 H new ATOM 0 HD22 LEU A 4 -15.140 7.993 -3.807 1.00 61.53 H new ATOM 0 HD23 LEU A 4 -13.687 7.307 -4.571 1.00 61.53 H new ATOM 81 N ARG A 5 -11.066 7.294 -0.346 1.00 23.40 N ATOM 82 CA ARG A 5 -10.802 6.890 1.030 1.00 72.32 C ATOM 83 C ARG A 5 -9.443 7.403 1.496 1.00 71.12 C ATOM 84 O ARG A 5 -9.348 8.115 2.495 1.00 55.42 O ATOM 85 CB ARG A 5 -10.855 5.366 1.155 1.00 41.00 C ATOM 86 CG ARG A 5 -11.912 4.871 2.128 1.00 52.41 C ATOM 87 CD ARG A 5 -12.225 3.400 1.910 1.00 21.23 C ATOM 88 NE ARG A 5 -13.230 2.908 2.849 1.00 21.03 N ATOM 89 CZ ARG A 5 -13.701 1.666 2.837 1.00 52.40 C ATOM 90 NH1 ARG A 5 -13.261 0.795 1.940 1.00 75.10 N ATOM 91 NH2 ARG A 5 -14.615 1.294 3.725 1.00 23.35 N ATOM 0 H ARG A 5 -11.182 6.519 -0.999 1.00 23.40 H new ATOM 0 HA ARG A 5 -11.573 7.327 1.665 1.00 72.32 H new ATOM 0 HB2 ARG A 5 -11.048 4.936 0.172 1.00 41.00 H new ATOM 0 HB3 ARG A 5 -9.879 5.002 1.476 1.00 41.00 H new ATOM 0 HG2 ARG A 5 -11.566 5.023 3.151 1.00 52.41 H new ATOM 0 HG3 ARG A 5 -12.822 5.459 2.009 1.00 52.41 H new ATOM 0 HD2 ARG A 5 -12.579 3.252 0.890 1.00 21.23 H new ATOM 0 HD3 ARG A 5 -11.311 2.815 2.018 1.00 21.23 H new ATOM 0 HE ARG A 5 -13.590 3.553 3.552 1.00 21.03 H new ATOM 0 HH11 ARG A 5 -12.559 1.078 1.256 1.00 75.10 H new ATOM 0 HH12 ARG A 5 -13.625 -0.158 1.933 1.00 75.10 H new ATOM 0 HH21 ARG A 5 -14.956 1.962 4.417 1.00 23.35 H new ATOM 0 HH22 ARG A 5 -14.977 0.340 3.716 1.00 23.35 H new ATOM 105 N GLU A 6 -8.395 7.035 0.766 1.00 3.32 N ATOM 106 CA GLU A 6 -7.041 7.458 1.107 1.00 71.40 C ATOM 107 C GLU A 6 -6.892 8.970 0.968 1.00 42.43 C ATOM 108 O GLU A 6 -6.053 9.584 1.626 1.00 71.12 O ATOM 109 CB GLU A 6 -6.022 6.749 0.212 1.00 42.20 C ATOM 110 CG GLU A 6 -5.814 5.286 0.566 1.00 42.32 C ATOM 111 CD GLU A 6 -6.291 4.349 -0.526 1.00 11.14 C ATOM 112 OE1 GLU A 6 -5.494 4.050 -1.439 1.00 70.53 O ATOM 113 OE2 GLU A 6 -7.460 3.914 -0.467 1.00 51.15 O ATOM 0 H GLU A 6 -8.457 6.446 -0.064 1.00 3.32 H new ATOM 0 HA GLU A 6 -6.853 7.186 2.146 1.00 71.40 H new ATOM 0 HB2 GLU A 6 -6.351 6.820 -0.825 1.00 42.20 H new ATOM 0 HB3 GLU A 6 -5.067 7.270 0.280 1.00 42.20 H new ATOM 0 HG2 GLU A 6 -4.755 5.109 0.755 1.00 42.32 H new ATOM 0 HG3 GLU A 6 -6.345 5.061 1.491 1.00 42.32 H new ATOM 120 N GLU A 7 -7.713 9.563 0.106 1.00 52.52 N ATOM 121 CA GLU A 7 -7.671 11.003 -0.121 1.00 14.01 C ATOM 122 C GLU A 7 -8.080 11.764 1.137 1.00 75.43 C ATOM 123 O GLU A 7 -7.364 12.651 1.600 1.00 32.13 O ATOM 124 CB GLU A 7 -8.590 11.386 -1.283 1.00 1.43 C ATOM 125 CG GLU A 7 -7.868 11.504 -2.615 1.00 14.30 C ATOM 126 CD GLU A 7 -8.727 12.144 -3.689 1.00 74.10 C ATOM 127 OE1 GLU A 7 -9.253 13.250 -3.446 1.00 72.21 O ATOM 128 OE2 GLU A 7 -8.874 11.538 -4.771 1.00 11.13 O ATOM 0 H GLU A 7 -8.414 9.069 -0.446 1.00 52.52 H new ATOM 0 HA GLU A 7 -6.646 11.275 -0.373 1.00 14.01 H new ATOM 0 HB2 GLU A 7 -9.380 10.640 -1.372 1.00 1.43 H new ATOM 0 HB3 GLU A 7 -9.073 12.336 -1.055 1.00 1.43 H new ATOM 0 HG2 GLU A 7 -6.961 12.093 -2.481 1.00 14.30 H new ATOM 0 HG3 GLU A 7 -7.558 10.513 -2.945 1.00 14.30 H new ATOM 135 N ALA A 8 -9.239 11.409 1.685 1.00 2.51 N ATOM 136 CA ALA A 8 -9.743 12.057 2.890 1.00 62.34 C ATOM 137 C ALA A 8 -8.704 12.027 4.006 1.00 64.43 C ATOM 138 O ALA A 8 -8.424 13.048 4.633 1.00 70.24 O ATOM 139 CB ALA A 8 -11.031 11.390 3.347 1.00 35.50 C ATOM 0 H ALA A 8 -9.845 10.677 1.314 1.00 2.51 H new ATOM 0 HA ALA A 8 -9.951 13.100 2.652 1.00 62.34 H new ATOM 0 HB1 ALA A 8 -11.397 11.883 4.248 1.00 35.50 H new ATOM 0 HB2 ALA A 8 -11.781 11.469 2.560 1.00 35.50 H new ATOM 0 HB3 ALA A 8 -10.840 10.339 3.562 1.00 35.50 H new ATOM 145 N ALA A 9 -8.137 10.850 4.249 1.00 25.12 N ATOM 146 CA ALA A 9 -7.128 10.688 5.288 1.00 61.24 C ATOM 147 C ALA A 9 -6.001 11.702 5.121 1.00 34.04 C ATOM 148 O ALA A 9 -5.366 12.106 6.096 1.00 50.54 O ATOM 149 CB ALA A 9 -6.574 9.272 5.269 1.00 10.45 C ATOM 0 H ALA A 9 -8.359 9.994 3.740 1.00 25.12 H new ATOM 0 HA ALA A 9 -7.603 10.867 6.253 1.00 61.24 H new ATOM 0 HB1 ALA A 9 -5.821 9.165 6.050 1.00 10.45 H new ATOM 0 HB2 ALA A 9 -7.383 8.563 5.445 1.00 10.45 H new ATOM 0 HB3 ALA A 9 -6.120 9.072 4.298 1.00 10.45 H new ATOM 155 N LYS A 10 -5.755 12.108 3.881 1.00 61.52 N ATOM 156 CA LYS A 10 -4.704 13.075 3.585 1.00 53.14 C ATOM 157 C LYS A 10 -5.122 14.479 4.010 1.00 32.24 C ATOM 158 O LYS A 10 -4.324 15.232 4.571 1.00 72.34 O ATOM 159 CB LYS A 10 -4.374 13.060 2.090 1.00 52.24 C ATOM 160 CG LYS A 10 -2.902 13.277 1.790 1.00 12.51 C ATOM 161 CD LYS A 10 -2.271 12.044 1.167 1.00 44.11 C ATOM 162 CE LYS A 10 -0.753 12.144 1.144 1.00 73.11 C ATOM 163 NZ LYS A 10 -0.211 12.046 -0.239 1.00 54.23 N ATOM 0 H LYS A 10 -6.270 11.782 3.063 1.00 61.52 H new ATOM 0 HA LYS A 10 -3.815 12.792 4.149 1.00 53.14 H new ATOM 0 HB2 LYS A 10 -4.685 12.105 1.667 1.00 52.24 H new ATOM 0 HB3 LYS A 10 -4.956 13.834 1.590 1.00 52.24 H new ATOM 0 HG2 LYS A 10 -2.789 14.125 1.115 1.00 12.51 H new ATOM 0 HG3 LYS A 10 -2.376 13.530 2.710 1.00 12.51 H new ATOM 0 HD2 LYS A 10 -2.570 11.159 1.728 1.00 44.11 H new ATOM 0 HD3 LYS A 10 -2.644 11.918 0.150 1.00 44.11 H new ATOM 0 HE2 LYS A 10 -0.445 13.090 1.588 1.00 73.11 H new ATOM 0 HE3 LYS A 10 -0.328 11.350 1.758 1.00 73.11 H new ATOM 0 HZ1 LYS A 10 0.826 12.119 -0.211 1.00 54.23 H new ATOM 0 HZ2 LYS A 10 -0.483 11.132 -0.655 1.00 54.23 H new ATOM 0 HZ3 LYS A 10 -0.597 12.819 -0.819 1.00 54.23 H new ATOM 177 N LEU A 11 -6.376 14.825 3.741 1.00 64.05 N ATOM 178 CA LEU A 11 -6.900 16.140 4.097 1.00 71.32 C ATOM 179 C LEU A 11 -6.708 16.417 5.584 1.00 62.24 C ATOM 180 O LEU A 11 -6.498 17.561 5.991 1.00 62.45 O ATOM 181 CB LEU A 11 -8.384 16.233 3.736 1.00 23.12 C ATOM 182 CG LEU A 11 -8.700 16.673 2.307 1.00 61.44 C ATOM 183 CD1 LEU A 11 -8.578 15.499 1.347 1.00 40.52 C ATOM 184 CD2 LEU A 11 -10.093 17.282 2.232 1.00 41.01 C ATOM 0 H LEU A 11 -7.049 14.214 3.278 1.00 64.05 H new ATOM 0 HA LEU A 11 -6.347 16.891 3.532 1.00 71.32 H new ATOM 0 HB2 LEU A 11 -8.840 15.257 3.904 1.00 23.12 H new ATOM 0 HB3 LEU A 11 -8.862 16.931 4.424 1.00 23.12 H new ATOM 0 HG LEU A 11 -7.976 17.433 2.013 1.00 61.44 H new ATOM 0 HD11 LEU A 11 -8.807 15.832 0.335 1.00 40.52 H new ATOM 0 HD12 LEU A 11 -7.562 15.107 1.379 1.00 40.52 H new ATOM 0 HD13 LEU A 11 -9.278 14.716 1.639 1.00 40.52 H new ATOM 0 HD21 LEU A 11 -10.301 17.590 1.207 1.00 41.01 H new ATOM 0 HD22 LEU A 11 -10.830 16.543 2.546 1.00 41.01 H new ATOM 0 HD23 LEU A 11 -10.147 18.150 2.889 1.00 41.01 H new ATOM 196 N PHE A 12 -6.779 15.364 6.391 1.00 14.44 N ATOM 197 CA PHE A 12 -6.611 15.495 7.834 1.00 52.05 C ATOM 198 C PHE A 12 -5.244 16.085 8.172 1.00 55.04 C ATOM 199 O PHE A 12 -5.136 16.991 8.998 1.00 30.41 O ATOM 200 CB PHE A 12 -6.774 14.133 8.513 1.00 21.35 C ATOM 201 CG PHE A 12 -8.194 13.809 8.875 1.00 73.34 C ATOM 202 CD1 PHE A 12 -9.177 13.755 7.900 1.00 23.11 C ATOM 203 CD2 PHE A 12 -8.548 13.560 10.191 1.00 10.04 C ATOM 204 CE1 PHE A 12 -10.485 13.457 8.230 1.00 52.01 C ATOM 205 CE2 PHE A 12 -9.855 13.261 10.527 1.00 55.30 C ATOM 206 CZ PHE A 12 -10.825 13.210 9.545 1.00 55.53 C ATOM 0 H PHE A 12 -6.952 14.411 6.071 1.00 14.44 H new ATOM 0 HA PHE A 12 -7.380 16.173 8.204 1.00 52.05 H new ATOM 0 HB2 PHE A 12 -6.391 13.357 7.850 1.00 21.35 H new ATOM 0 HB3 PHE A 12 -6.163 14.111 9.416 1.00 21.35 H new ATOM 0 HD1 PHE A 12 -8.918 13.948 6.870 1.00 23.11 H new ATOM 0 HD2 PHE A 12 -7.794 13.600 10.963 1.00 10.04 H new ATOM 0 HE1 PHE A 12 -11.241 13.417 7.460 1.00 52.01 H new ATOM 0 HE2 PHE A 12 -10.118 13.067 11.557 1.00 55.30 H new ATOM 0 HZ PHE A 12 -11.847 12.977 9.805 1.00 55.53 H new ATOM 216 N GLU A 13 -4.206 15.562 7.528 1.00 42.52 N ATOM 217 CA GLU A 13 -2.846 16.036 7.761 1.00 52.44 C ATOM 218 C GLU A 13 -2.619 17.388 7.090 1.00 14.12 C ATOM 219 O GLU A 13 -1.842 18.209 7.574 1.00 0.45 O ATOM 220 CB GLU A 13 -1.831 15.018 7.240 1.00 64.42 C ATOM 221 CG GLU A 13 -1.097 14.271 8.340 1.00 1.32 C ATOM 222 CD GLU A 13 -0.087 13.278 7.799 1.00 41.11 C ATOM 223 OE1 GLU A 13 0.670 12.702 8.609 1.00 62.30 O ATOM 224 OE2 GLU A 13 -0.053 13.078 6.567 1.00 25.03 O ATOM 0 H GLU A 13 -4.280 14.811 6.842 1.00 42.52 H new ATOM 0 HA GLU A 13 -2.709 16.156 8.836 1.00 52.44 H new ATOM 0 HB2 GLU A 13 -2.346 14.297 6.604 1.00 64.42 H new ATOM 0 HB3 GLU A 13 -1.102 15.532 6.613 1.00 64.42 H new ATOM 0 HG2 GLU A 13 -0.587 14.988 8.983 1.00 1.32 H new ATOM 0 HG3 GLU A 13 -1.821 13.744 8.962 1.00 1.32 H new ATOM 231 N GLU A 14 -3.302 17.609 5.972 1.00 61.25 N ATOM 232 CA GLU A 14 -3.173 18.860 5.233 1.00 13.31 C ATOM 233 C GLU A 14 -3.447 20.057 6.139 1.00 4.43 C ATOM 234 O GLU A 14 -2.953 21.159 5.895 1.00 33.51 O ATOM 235 CB GLU A 14 -4.135 18.876 4.043 1.00 50.53 C ATOM 236 CG GLU A 14 -3.761 17.897 2.944 1.00 41.03 C ATOM 237 CD GLU A 14 -2.681 18.435 2.025 1.00 54.42 C ATOM 238 OE1 GLU A 14 -1.739 17.679 1.712 1.00 11.44 O ATOM 239 OE2 GLU A 14 -2.779 19.612 1.620 1.00 42.42 O ATOM 0 H GLU A 14 -3.950 16.939 5.558 1.00 61.25 H new ATOM 0 HA GLU A 14 -2.150 18.932 4.865 1.00 13.31 H new ATOM 0 HB2 GLU A 14 -5.140 18.646 4.396 1.00 50.53 H new ATOM 0 HB3 GLU A 14 -4.167 19.883 3.626 1.00 50.53 H new ATOM 0 HG2 GLU A 14 -3.419 16.965 3.394 1.00 41.03 H new ATOM 0 HG3 GLU A 14 -4.648 17.660 2.356 1.00 41.03 H new ATOM 246 N TRP A 15 -4.234 19.833 7.184 1.00 52.04 N ATOM 247 CA TRP A 15 -4.574 20.893 8.126 1.00 51.00 C ATOM 248 C TRP A 15 -3.318 21.485 8.756 1.00 23.14 C ATOM 249 O TRP A 15 -3.211 22.699 8.932 1.00 70.44 O ATOM 250 CB TRP A 15 -5.502 20.356 9.217 1.00 5.10 C ATOM 251 CG TRP A 15 -6.758 19.740 8.679 1.00 30.20 C ATOM 252 CD1 TRP A 15 -7.385 20.051 7.506 1.00 54.14 C ATOM 253 CD2 TRP A 15 -7.538 18.709 9.294 1.00 63.12 C ATOM 254 NE1 TRP A 15 -8.510 19.275 7.355 1.00 14.41 N ATOM 255 CE2 TRP A 15 -8.625 18.443 8.437 1.00 41.31 C ATOM 256 CE3 TRP A 15 -7.424 17.984 10.482 1.00 74.32 C ATOM 257 CZ2 TRP A 15 -9.590 17.485 8.735 1.00 12.24 C ATOM 258 CZ3 TRP A 15 -8.382 17.032 10.776 1.00 54.43 C ATOM 259 CH2 TRP A 15 -9.453 16.789 9.906 1.00 74.20 C ATOM 0 H TRP A 15 -4.649 18.927 7.401 1.00 52.04 H new ATOM 0 HA TRP A 15 -5.089 21.681 7.577 1.00 51.00 H new ATOM 0 HB2 TRP A 15 -4.965 19.613 9.807 1.00 5.10 H new ATOM 0 HB3 TRP A 15 -5.766 21.170 9.893 1.00 5.10 H new ATOM 0 HD1 TRP A 15 -7.047 20.796 6.801 1.00 54.14 H new ATOM 0 HE1 TRP A 15 -9.154 19.313 6.565 1.00 14.41 H new ATOM 0 HE3 TRP A 15 -6.602 18.164 11.159 1.00 74.32 H new ATOM 0 HZ2 TRP A 15 -10.417 17.297 8.066 1.00 12.24 H new ATOM 0 HZ3 TRP A 15 -8.304 16.466 11.692 1.00 54.43 H new ATOM 0 HH2 TRP A 15 -10.185 16.038 10.164 1.00 74.20 H new ATOM 270 N LYS A 16 -2.367 20.619 9.093 1.00 1.50 N ATOM 271 CA LYS A 16 -1.116 21.056 9.703 1.00 41.34 C ATOM 272 C LYS A 16 -0.466 22.162 8.878 1.00 71.05 C ATOM 273 O LYS A 16 0.220 23.031 9.416 1.00 24.05 O ATOM 274 CB LYS A 16 -0.153 19.875 9.841 1.00 63.50 C ATOM 275 CG LYS A 16 0.548 19.507 8.545 1.00 63.14 C ATOM 276 CD LYS A 16 0.906 18.031 8.504 1.00 43.43 C ATOM 277 CE LYS A 16 2.037 17.705 9.466 1.00 53.30 C ATOM 278 NZ LYS A 16 1.752 16.480 10.263 1.00 63.43 N ATOM 0 H LYS A 16 -2.439 19.611 8.954 1.00 1.50 H new ATOM 0 HA LYS A 16 -1.342 21.451 10.694 1.00 41.34 H new ATOM 0 HB2 LYS A 16 0.597 20.115 10.595 1.00 63.50 H new ATOM 0 HB3 LYS A 16 -0.704 19.008 10.205 1.00 63.50 H new ATOM 0 HG2 LYS A 16 -0.097 19.750 7.700 1.00 63.14 H new ATOM 0 HG3 LYS A 16 1.453 20.105 8.437 1.00 63.14 H new ATOM 0 HD2 LYS A 16 0.029 17.436 8.757 1.00 43.43 H new ATOM 0 HD3 LYS A 16 1.198 17.754 7.491 1.00 43.43 H new ATOM 0 HE2 LYS A 16 2.962 17.567 8.906 1.00 53.30 H new ATOM 0 HE3 LYS A 16 2.195 18.548 10.139 1.00 53.30 H new ATOM 0 HZ1 LYS A 16 2.547 16.292 10.907 1.00 63.43 H new ATOM 0 HZ2 LYS A 16 0.883 16.621 10.817 1.00 63.43 H new ATOM 0 HZ3 LYS A 16 1.626 15.670 9.622 1.00 63.43 H new ATOM 292 N LYS A 17 -0.689 22.126 7.568 1.00 50.04 N ATOM 293 CA LYS A 17 -0.127 23.126 6.668 1.00 53.32 C ATOM 294 C LYS A 17 -0.595 24.526 7.052 1.00 43.21 C ATOM 295 O LYS A 17 0.215 25.440 7.211 1.00 43.34 O ATOM 296 CB LYS A 17 -0.526 22.822 5.222 1.00 12.53 C ATOM 297 CG LYS A 17 0.608 23.004 4.228 1.00 40.45 C ATOM 298 CD LYS A 17 0.281 22.368 2.887 1.00 53.12 C ATOM 299 CE LYS A 17 1.068 23.014 1.757 1.00 60.12 C ATOM 300 NZ LYS A 17 1.251 22.085 0.607 1.00 1.54 N ATOM 0 H LYS A 17 -1.255 21.414 7.106 1.00 50.04 H new ATOM 0 HA LYS A 17 0.959 23.088 6.754 1.00 53.32 H new ATOM 0 HB2 LYS A 17 -0.890 21.796 5.162 1.00 12.53 H new ATOM 0 HB3 LYS A 17 -1.355 23.471 4.938 1.00 12.53 H new ATOM 0 HG2 LYS A 17 0.804 24.067 4.089 1.00 40.45 H new ATOM 0 HG3 LYS A 17 1.520 22.561 4.629 1.00 40.45 H new ATOM 0 HD2 LYS A 17 0.505 21.302 2.925 1.00 53.12 H new ATOM 0 HD3 LYS A 17 -0.787 22.463 2.689 1.00 53.12 H new ATOM 0 HE2 LYS A 17 0.549 23.911 1.420 1.00 60.12 H new ATOM 0 HE3 LYS A 17 2.043 23.330 2.128 1.00 60.12 H new ATOM 0 HZ1 LYS A 17 1.792 22.562 -0.142 1.00 1.54 H new ATOM 0 HZ2 LYS A 17 1.768 21.240 0.922 1.00 1.54 H new ATOM 0 HZ3 LYS A 17 0.321 21.804 0.237 1.00 1.54 H new ATOM 314 N LEU A 18 -1.905 24.688 7.199 1.00 54.01 N ATOM 315 CA LEU A 18 -2.481 25.977 7.566 1.00 65.30 C ATOM 316 C LEU A 18 -2.093 26.361 8.990 1.00 73.11 C ATOM 317 O LEU A 18 -1.892 27.537 9.294 1.00 13.12 O ATOM 318 CB LEU A 18 -4.004 25.934 7.434 1.00 43.14 C ATOM 319 CG LEU A 18 -4.567 26.250 6.047 1.00 31.43 C ATOM 320 CD1 LEU A 18 -4.236 27.680 5.649 1.00 74.42 C ATOM 321 CD2 LEU A 18 -4.026 25.268 5.017 1.00 22.22 C ATOM 0 H LEU A 18 -2.589 23.942 7.070 1.00 54.01 H new ATOM 0 HA LEU A 18 -2.085 26.731 6.885 1.00 65.30 H new ATOM 0 HB2 LEU A 18 -4.346 24.941 7.725 1.00 43.14 H new ATOM 0 HB3 LEU A 18 -4.431 26.640 8.147 1.00 43.14 H new ATOM 0 HG LEU A 18 -5.652 26.148 6.083 1.00 31.43 H new ATOM 0 HD11 LEU A 18 -4.645 27.886 4.660 1.00 74.42 H new ATOM 0 HD12 LEU A 18 -4.672 28.369 6.372 1.00 74.42 H new ATOM 0 HD13 LEU A 18 -3.154 27.811 5.629 1.00 74.42 H new ATOM 0 HD21 LEU A 18 -4.436 25.507 4.036 1.00 22.22 H new ATOM 0 HD22 LEU A 18 -2.939 25.339 4.983 1.00 22.22 H new ATOM 0 HD23 LEU A 18 -4.315 24.254 5.294 1.00 22.22 H new ATOM 333 N ALA A 19 -1.989 25.361 9.859 1.00 50.30 N ATOM 334 CA ALA A 19 -1.622 25.594 11.251 1.00 22.45 C ATOM 335 C ALA A 19 -0.248 26.248 11.354 1.00 45.15 C ATOM 336 O ALA A 19 -0.054 27.186 12.126 1.00 54.54 O ATOM 337 CB ALA A 19 -1.645 24.286 12.028 1.00 44.32 C ATOM 0 H ALA A 19 -2.154 24.382 9.624 1.00 50.30 H new ATOM 0 HA ALA A 19 -2.354 26.275 11.685 1.00 22.45 H new ATOM 0 HB1 ALA A 19 -1.369 24.474 13.066 1.00 44.32 H new ATOM 0 HB2 ALA A 19 -2.647 23.858 11.991 1.00 44.32 H new ATOM 0 HB3 ALA A 19 -0.935 23.587 11.585 1.00 44.32 H new ATOM 343 N GLU A 20 0.702 25.747 10.570 1.00 74.34 N ATOM 344 CA GLU A 20 2.058 26.283 10.575 1.00 14.11 C ATOM 345 C GLU A 20 2.092 27.682 9.965 1.00 32.24 C ATOM 346 O GLU A 20 2.926 28.509 10.331 1.00 12.41 O ATOM 347 CB GLU A 20 3.000 25.355 9.805 1.00 43.51 C ATOM 348 CG GLU A 20 4.426 25.366 10.329 1.00 61.52 C ATOM 349 CD GLU A 20 4.771 24.112 11.110 1.00 72.25 C ATOM 350 OE1 GLU A 20 5.970 23.770 11.182 1.00 52.13 O ATOM 351 OE2 GLU A 20 3.842 23.474 11.647 1.00 62.20 O ATOM 0 H GLU A 20 0.557 24.971 9.924 1.00 74.34 H new ATOM 0 HA GLU A 20 2.392 26.349 11.611 1.00 14.11 H new ATOM 0 HB2 GLU A 20 2.612 24.337 9.852 1.00 43.51 H new ATOM 0 HB3 GLU A 20 3.005 25.646 8.755 1.00 43.51 H new ATOM 0 HG2 GLU A 20 5.116 25.469 9.491 1.00 61.52 H new ATOM 0 HG3 GLU A 20 4.568 26.238 10.968 1.00 61.52 H new ATOM 358 N GLU A 21 1.180 27.936 9.031 1.00 21.15 N ATOM 359 CA GLU A 21 1.108 29.233 8.369 1.00 14.20 C ATOM 360 C GLU A 21 0.515 30.287 9.300 1.00 73.40 C ATOM 361 O GLU A 21 0.855 31.466 9.216 1.00 23.14 O ATOM 362 CB GLU A 21 0.269 29.133 7.093 1.00 54.54 C ATOM 363 CG GLU A 21 1.088 29.219 5.817 1.00 3.03 C ATOM 364 CD GLU A 21 1.279 30.647 5.341 1.00 72.40 C ATOM 365 OE1 GLU A 21 1.871 31.448 6.094 1.00 51.45 O ATOM 366 OE2 GLU A 21 0.835 30.961 4.217 1.00 23.41 O ATOM 0 H GLU A 21 0.482 27.262 8.717 1.00 21.15 H new ATOM 0 HA GLU A 21 2.122 29.535 8.106 1.00 14.20 H new ATOM 0 HB2 GLU A 21 -0.278 28.190 7.101 1.00 54.54 H new ATOM 0 HB3 GLU A 21 -0.473 29.931 7.093 1.00 54.54 H new ATOM 0 HG2 GLU A 21 2.063 28.762 5.984 1.00 3.03 H new ATOM 0 HG3 GLU A 21 0.596 28.642 5.034 1.00 3.03 H new ATOM 373 N ALA A 22 -0.374 29.852 10.186 1.00 12.14 N ATOM 374 CA ALA A 22 -1.014 30.756 11.135 1.00 64.53 C ATOM 375 C ALA A 22 -0.023 31.237 12.188 1.00 4.22 C ATOM 376 O ALA A 22 -0.113 32.367 12.668 1.00 34.45 O ATOM 377 CB ALA A 22 -2.201 30.072 11.796 1.00 12.52 C ATOM 0 H ALA A 22 -0.668 28.879 10.267 1.00 12.14 H new ATOM 0 HA ALA A 22 -1.371 31.627 10.586 1.00 64.53 H new ATOM 0 HB1 ALA A 22 -2.669 30.758 12.502 1.00 12.52 H new ATOM 0 HB2 ALA A 22 -2.926 29.784 11.034 1.00 12.52 H new ATOM 0 HB3 ALA A 22 -1.860 29.183 12.326 1.00 12.52 H new ATOM 383 N ALA A 23 0.923 30.374 12.542 1.00 13.23 N ATOM 384 CA ALA A 23 1.933 30.712 13.539 1.00 61.35 C ATOM 385 C ALA A 23 2.912 31.748 12.998 1.00 53.25 C ATOM 386 O ALA A 23 3.464 32.550 13.752 1.00 52.24 O ATOM 387 CB ALA A 23 2.676 29.461 13.983 1.00 53.21 C ATOM 0 H ALA A 23 1.012 29.435 12.154 1.00 13.23 H new ATOM 0 HA ALA A 23 1.426 31.145 14.402 1.00 61.35 H new ATOM 0 HB1 ALA A 23 3.426 29.728 14.727 1.00 53.21 H new ATOM 0 HB2 ALA A 23 1.970 28.754 14.418 1.00 53.21 H new ATOM 0 HB3 ALA A 23 3.165 29.004 13.123 1.00 53.21 H new ATOM 393 N LYS A 24 3.125 31.726 11.687 1.00 64.03 N ATOM 394 CA LYS A 24 4.037 32.664 11.043 1.00 12.32 C ATOM 395 C LYS A 24 3.499 34.089 11.124 1.00 4.15 C ATOM 396 O LYS A 24 4.267 35.050 11.188 1.00 10.23 O ATOM 397 CB LYS A 24 4.256 32.273 9.580 1.00 63.52 C ATOM 398 CG LYS A 24 5.199 31.096 9.400 1.00 5.24 C ATOM 399 CD LYS A 24 5.223 30.617 7.958 1.00 34.53 C ATOM 400 CE LYS A 24 6.621 30.191 7.535 1.00 53.33 C ATOM 401 NZ LYS A 24 6.862 28.745 7.794 1.00 30.23 N ATOM 0 H LYS A 24 2.678 31.068 11.049 1.00 64.03 H new ATOM 0 HA LYS A 24 4.990 32.624 11.570 1.00 12.32 H new ATOM 0 HB2 LYS A 24 3.294 32.029 9.130 1.00 63.52 H new ATOM 0 HB3 LYS A 24 4.653 33.132 9.039 1.00 63.52 H new ATOM 0 HG2 LYS A 24 6.205 31.384 9.705 1.00 5.24 H new ATOM 0 HG3 LYS A 24 4.890 30.278 10.051 1.00 5.24 H new ATOM 0 HD2 LYS A 24 4.535 29.780 7.840 1.00 34.53 H new ATOM 0 HD3 LYS A 24 4.870 31.414 7.303 1.00 34.53 H new ATOM 0 HE2 LYS A 24 6.758 30.398 6.474 1.00 53.33 H new ATOM 0 HE3 LYS A 24 7.360 30.784 8.073 1.00 53.33 H new ATOM 0 HZ1 LYS A 24 7.825 28.494 7.492 1.00 30.23 H new ATOM 0 HZ2 LYS A 24 6.756 28.552 8.810 1.00 30.23 H new ATOM 0 HZ3 LYS A 24 6.173 28.177 7.260 1.00 30.23 H new ATOM 415 N LEU A 25 2.177 34.219 11.121 1.00 14.12 N ATOM 416 CA LEU A 25 1.536 35.527 11.197 1.00 1.42 C ATOM 417 C LEU A 25 1.666 36.117 12.598 1.00 44.34 C ATOM 418 O LEU A 25 1.770 37.333 12.763 1.00 54.23 O ATOM 419 CB LEU A 25 0.060 35.417 10.812 1.00 3.35 C ATOM 420 CG LEU A 25 -0.396 36.293 9.645 1.00 62.34 C ATOM 421 CD1 LEU A 25 0.024 35.677 8.319 1.00 65.14 C ATOM 422 CD2 LEU A 25 -1.903 36.495 9.686 1.00 52.11 C ATOM 0 H LEU A 25 1.528 33.434 11.067 1.00 14.12 H new ATOM 0 HA LEU A 25 2.039 36.192 10.495 1.00 1.42 H new ATOM 0 HB2 LEU A 25 -0.154 34.377 10.565 1.00 3.35 H new ATOM 0 HB3 LEU A 25 -0.542 35.667 11.685 1.00 3.35 H new ATOM 0 HG LEU A 25 0.084 37.267 9.739 1.00 62.34 H new ATOM 0 HD11 LEU A 25 -0.309 36.314 7.500 1.00 65.14 H new ATOM 0 HD12 LEU A 25 1.110 35.585 8.288 1.00 65.14 H new ATOM 0 HD13 LEU A 25 -0.427 34.690 8.217 1.00 65.14 H new ATOM 0 HD21 LEU A 25 -2.209 37.121 8.848 1.00 52.11 H new ATOM 0 HD22 LEU A 25 -2.402 35.528 9.618 1.00 52.11 H new ATOM 0 HD23 LEU A 25 -2.180 36.981 10.622 1.00 52.11 H new ATOM 434 N LEU A 26 1.661 35.249 13.602 1.00 73.32 N ATOM 435 CA LEU A 26 1.781 35.683 14.990 1.00 74.12 C ATOM 436 C LEU A 26 3.229 36.012 15.335 1.00 12.13 C ATOM 437 O LEU A 26 3.500 36.946 16.089 1.00 24.34 O ATOM 438 CB LEU A 26 1.253 34.599 15.932 1.00 45.44 C ATOM 439 CG LEU A 26 0.368 35.082 17.082 1.00 24.53 C ATOM 440 CD1 LEU A 26 -1.022 34.474 16.978 1.00 23.21 C ATOM 441 CD2 LEU A 26 1.003 34.739 18.422 1.00 22.10 C ATOM 0 H LEU A 26 1.575 34.240 13.482 1.00 73.32 H new ATOM 0 HA LEU A 26 1.184 36.586 15.115 1.00 74.12 H new ATOM 0 HB2 LEU A 26 0.687 33.878 15.343 1.00 45.44 H new ATOM 0 HB3 LEU A 26 2.105 34.067 16.355 1.00 45.44 H new ATOM 0 HG LEU A 26 0.274 36.166 17.013 1.00 24.53 H new ATOM 0 HD11 LEU A 26 -1.637 34.829 17.805 1.00 23.21 H new ATOM 0 HD12 LEU A 26 -1.478 34.769 16.033 1.00 23.21 H new ATOM 0 HD13 LEU A 26 -0.948 33.387 17.022 1.00 23.21 H new ATOM 0 HD21 LEU A 26 0.360 35.090 19.230 1.00 22.10 H new ATOM 0 HD22 LEU A 26 1.127 33.659 18.500 1.00 22.10 H new ATOM 0 HD23 LEU A 26 1.977 35.222 18.497 1.00 22.10 H new ATOM 453 N GLU A 27 4.155 35.238 14.777 1.00 52.11 N ATOM 454 CA GLU A 27 5.577 35.449 15.026 1.00 34.51 C ATOM 455 C GLU A 27 6.129 36.549 14.124 1.00 31.35 C ATOM 456 O GLU A 27 7.117 37.201 14.457 1.00 11.42 O ATOM 457 CB GLU A 27 6.354 34.150 14.801 1.00 70.43 C ATOM 458 CG GLU A 27 6.520 33.786 13.335 1.00 51.53 C ATOM 459 CD GLU A 27 7.897 34.128 12.801 1.00 74.30 C ATOM 460 OE1 GLU A 27 8.087 35.274 12.344 1.00 5.13 O ATOM 461 OE2 GLU A 27 8.784 33.249 12.840 1.00 62.54 O ATOM 0 H GLU A 27 3.947 34.460 14.151 1.00 52.11 H new ATOM 0 HA GLU A 27 5.697 35.760 16.064 1.00 34.51 H new ATOM 0 HB2 GLU A 27 7.339 34.242 15.258 1.00 70.43 H new ATOM 0 HB3 GLU A 27 5.841 33.336 15.313 1.00 70.43 H new ATOM 0 HG2 GLU A 27 6.340 32.719 13.207 1.00 51.53 H new ATOM 0 HG3 GLU A 27 5.766 34.309 12.747 1.00 51.53 H new ATOM 468 N GLY A 28 5.484 36.746 12.978 1.00 22.12 N ATOM 469 CA GLY A 28 5.926 37.767 12.045 1.00 72.50 C ATOM 470 C GLY A 28 5.776 37.334 10.600 1.00 44.43 C ATOM 471 O GLY A 28 4.799 37.682 9.939 1.00 42.33 O ATOM 0 H GLY A 28 4.664 36.218 12.679 1.00 22.12 H new ATOM 0 HA2 GLY A 28 5.352 38.679 12.210 1.00 72.50 H new ATOM 0 HA3 GLY A 28 6.970 38.008 12.243 1.00 72.50 H new ATOM 524 N GLU A 36 3.881 33.112 20.201 1.00 74.12 N ATOM 525 CA GLU A 36 3.212 32.221 21.141 1.00 13.20 C ATOM 526 C GLU A 36 2.379 31.176 20.403 1.00 10.43 C ATOM 527 O GLU A 36 2.206 30.054 20.879 1.00 13.15 O ATOM 528 CB GLU A 36 2.319 33.022 22.091 1.00 51.42 C ATOM 529 CG GLU A 36 1.420 32.156 22.958 1.00 4.43 C ATOM 530 CD GLU A 36 0.590 32.970 23.932 1.00 24.22 C ATOM 531 OE1 GLU A 36 -0.383 33.614 23.487 1.00 3.51 O ATOM 532 OE2 GLU A 36 0.912 32.961 25.138 1.00 5.31 O ATOM 0 HA GLU A 36 3.978 31.706 21.721 1.00 13.20 H new ATOM 0 HB2 GLU A 36 2.948 33.637 22.735 1.00 51.42 H new ATOM 0 HB3 GLU A 36 1.700 33.702 21.507 1.00 51.42 H new ATOM 0 HG2 GLU A 36 0.756 31.574 22.319 1.00 4.43 H new ATOM 0 HG3 GLU A 36 2.032 31.445 23.513 1.00 4.43 H new ATOM 539 N LEU A 37 1.865 31.554 19.238 1.00 1.12 N ATOM 540 CA LEU A 37 1.050 30.652 18.432 1.00 33.22 C ATOM 541 C LEU A 37 1.829 29.390 18.070 1.00 1.52 C ATOM 542 O LEU A 37 1.249 28.320 17.897 1.00 34.34 O ATOM 543 CB LEU A 37 0.579 31.356 17.159 1.00 41.33 C ATOM 544 CG LEU A 37 -0.770 30.902 16.601 1.00 43.12 C ATOM 545 CD1 LEU A 37 -1.874 31.123 17.625 1.00 1.34 C ATOM 546 CD2 LEU A 37 -1.087 31.638 15.307 1.00 44.12 C ATOM 0 H LEU A 37 1.998 32.479 18.830 1.00 1.12 H new ATOM 0 HA LEU A 37 0.180 30.364 19.023 1.00 33.22 H new ATOM 0 HB2 LEU A 37 0.526 32.426 17.358 1.00 41.33 H new ATOM 0 HB3 LEU A 37 1.336 31.213 16.387 1.00 41.33 H new ATOM 0 HG LEU A 37 -0.711 29.835 16.385 1.00 43.12 H new ATOM 0 HD11 LEU A 37 -2.827 30.794 17.210 1.00 1.34 H new ATOM 0 HD12 LEU A 37 -1.654 30.551 18.526 1.00 1.34 H new ATOM 0 HD13 LEU A 37 -1.933 32.183 17.873 1.00 1.34 H new ATOM 0 HD21 LEU A 37 -2.051 31.302 14.924 1.00 44.12 H new ATOM 0 HD22 LEU A 37 -1.126 32.710 15.499 1.00 44.12 H new ATOM 0 HD23 LEU A 37 -0.311 31.429 14.570 1.00 44.12 H new ATOM 558 N MET A 38 3.146 29.526 17.961 1.00 4.23 N ATOM 559 CA MET A 38 4.005 28.398 17.623 1.00 31.33 C ATOM 560 C MET A 38 3.736 27.214 18.547 1.00 21.41 C ATOM 561 O MET A 38 3.878 26.058 18.150 1.00 21.41 O ATOM 562 CB MET A 38 5.477 28.804 17.713 1.00 63.50 C ATOM 563 CG MET A 38 6.256 28.552 16.432 1.00 22.20 C ATOM 564 SD MET A 38 8.041 28.613 16.681 1.00 62.12 S ATOM 565 CE MET A 38 8.481 30.000 15.636 1.00 64.34 C ATOM 0 H MET A 38 3.642 30.406 18.102 1.00 4.23 H new ATOM 0 HA MET A 38 3.780 28.097 16.600 1.00 31.33 H new ATOM 0 HB2 MET A 38 5.539 29.863 17.964 1.00 63.50 H new ATOM 0 HB3 MET A 38 5.948 28.255 18.529 1.00 63.50 H new ATOM 0 HG2 MET A 38 5.982 27.576 16.031 1.00 22.20 H new ATOM 0 HG3 MET A 38 5.972 29.294 15.686 1.00 22.20 H new ATOM 0 HE1 MET A 38 9.558 30.164 15.683 1.00 64.34 H new ATOM 0 HE2 MET A 38 8.191 29.787 14.607 1.00 64.34 H new ATOM 0 HE3 MET A 38 7.962 30.894 15.981 1.00 64.34 H new ATOM 575 N LYS A 39 3.346 27.510 19.783 1.00 41.02 N ATOM 576 CA LYS A 39 3.055 26.471 20.764 1.00 3.32 C ATOM 577 C LYS A 39 1.693 25.840 20.500 1.00 1.11 C ATOM 578 O LYS A 39 1.581 24.623 20.341 1.00 14.44 O ATOM 579 CB LYS A 39 3.095 27.052 22.179 1.00 43.52 C ATOM 580 CG LYS A 39 4.452 27.613 22.569 1.00 52.53 C ATOM 581 CD LYS A 39 5.397 26.515 23.028 1.00 23.02 C ATOM 582 CE LYS A 39 5.044 26.023 24.422 1.00 34.41 C ATOM 583 NZ LYS A 39 5.934 26.611 25.461 1.00 21.11 N ATOM 0 H LYS A 39 3.224 28.462 20.129 1.00 41.02 H new ATOM 0 HA LYS A 39 3.817 25.697 20.674 1.00 3.32 H new ATOM 0 HB2 LYS A 39 2.348 27.842 22.260 1.00 43.52 H new ATOM 0 HB3 LYS A 39 2.815 26.275 22.890 1.00 43.52 H new ATOM 0 HG2 LYS A 39 4.888 28.138 21.719 1.00 52.53 H new ATOM 0 HG3 LYS A 39 4.329 28.345 23.367 1.00 52.53 H new ATOM 0 HD2 LYS A 39 5.357 25.682 22.326 1.00 23.02 H new ATOM 0 HD3 LYS A 39 6.421 26.888 23.021 1.00 23.02 H new ATOM 0 HE2 LYS A 39 4.008 26.278 24.645 1.00 34.41 H new ATOM 0 HE3 LYS A 39 5.119 24.936 24.453 1.00 34.41 H new ATOM 0 HZ1 LYS A 39 5.660 26.250 26.397 1.00 21.11 H new ATOM 0 HZ2 LYS A 39 6.920 26.347 25.263 1.00 21.11 H new ATOM 0 HZ3 LYS A 39 5.844 27.647 25.449 1.00 21.11 H new ATOM 597 N LEU A 40 0.659 26.673 20.452 1.00 24.24 N ATOM 598 CA LEU A 40 -0.697 26.196 20.205 1.00 35.33 C ATOM 599 C LEU A 40 -0.783 25.464 18.869 1.00 41.51 C ATOM 600 O LEU A 40 -1.636 24.596 18.679 1.00 11.52 O ATOM 601 CB LEU A 40 -1.682 27.367 20.222 1.00 34.41 C ATOM 602 CG LEU A 40 -2.415 27.608 21.542 1.00 2.33 C ATOM 603 CD1 LEU A 40 -3.240 26.390 21.926 1.00 33.43 C ATOM 604 CD2 LEU A 40 -1.425 27.953 22.646 1.00 3.12 C ATOM 0 H LEU A 40 0.734 27.682 20.581 1.00 24.24 H new ATOM 0 HA LEU A 40 -0.959 25.497 20.999 1.00 35.33 H new ATOM 0 HB2 LEU A 40 -1.140 28.275 19.959 1.00 34.41 H new ATOM 0 HB3 LEU A 40 -2.425 27.202 19.442 1.00 34.41 H new ATOM 0 HG LEU A 40 -3.092 28.452 21.410 1.00 2.33 H new ATOM 0 HD11 LEU A 40 -3.754 26.581 22.868 1.00 33.43 H new ATOM 0 HD12 LEU A 40 -3.974 26.187 21.146 1.00 33.43 H new ATOM 0 HD13 LEU A 40 -2.584 25.527 22.039 1.00 33.43 H new ATOM 0 HD21 LEU A 40 -1.964 28.121 23.578 1.00 3.12 H new ATOM 0 HD22 LEU A 40 -0.723 27.129 22.776 1.00 3.12 H new ATOM 0 HD23 LEU A 40 -0.878 28.856 22.375 1.00 3.12 H new ATOM 616 N CYS A 41 0.107 25.819 17.949 1.00 2.03 N ATOM 617 CA CYS A 41 0.133 25.194 16.631 1.00 41.33 C ATOM 618 C CYS A 41 0.597 23.744 16.725 1.00 3.31 C ATOM 619 O CYS A 41 0.058 22.866 16.053 1.00 11.01 O ATOM 620 CB CYS A 41 1.052 25.976 15.691 1.00 0.31 C ATOM 621 SG CYS A 41 1.299 25.195 14.079 1.00 14.00 S ATOM 0 H CYS A 41 0.819 26.535 18.091 1.00 2.03 H new ATOM 0 HA CYS A 41 -0.881 25.207 16.231 1.00 41.33 H new ATOM 0 HB2 CYS A 41 0.636 26.972 15.540 1.00 0.31 H new ATOM 0 HB3 CYS A 41 2.021 26.105 16.172 1.00 0.31 H new ATOM 0 HG CYS A 41 2.476 25.506 13.622 1.00 14.00 H new ATOM 627 N GLU A 42 1.601 23.503 17.562 1.00 52.02 N ATOM 628 CA GLU A 42 2.139 22.159 17.741 1.00 41.12 C ATOM 629 C GLU A 42 1.032 21.175 18.108 1.00 12.24 C ATOM 630 O GLU A 42 1.000 20.049 17.614 1.00 1.04 O ATOM 631 CB GLU A 42 3.218 22.159 18.827 1.00 72.44 C ATOM 632 CG GLU A 42 3.675 20.767 19.229 1.00 22.31 C ATOM 633 CD GLU A 42 5.180 20.601 19.150 1.00 41.43 C ATOM 634 OE1 GLU A 42 5.678 20.204 18.075 1.00 12.23 O ATOM 635 OE2 GLU A 42 5.861 20.869 20.162 1.00 74.02 O ATOM 0 H GLU A 42 2.058 24.219 18.126 1.00 52.02 H new ATOM 0 HA GLU A 42 2.583 21.843 16.797 1.00 41.12 H new ATOM 0 HB2 GLU A 42 4.078 22.727 18.473 1.00 72.44 H new ATOM 0 HB3 GLU A 42 2.836 22.675 19.707 1.00 72.44 H new ATOM 0 HG2 GLU A 42 3.343 20.560 20.246 1.00 22.31 H new ATOM 0 HG3 GLU A 42 3.198 20.031 18.582 1.00 22.31 H new ATOM 642 N GLU A 43 0.126 21.609 18.979 1.00 4.45 N ATOM 643 CA GLU A 43 -0.981 20.766 19.414 1.00 64.20 C ATOM 644 C GLU A 43 -1.890 20.414 18.239 1.00 40.25 C ATOM 645 O GLU A 43 -2.334 19.274 18.104 1.00 4.43 O ATOM 646 CB GLU A 43 -1.789 21.469 20.506 1.00 42.32 C ATOM 647 CG GLU A 43 -1.374 21.082 21.915 1.00 53.53 C ATOM 648 CD GLU A 43 -1.879 22.059 22.961 1.00 23.25 C ATOM 649 OE1 GLU A 43 -3.030 21.896 23.417 1.00 4.43 O ATOM 650 OE2 GLU A 43 -1.122 22.985 23.321 1.00 14.00 O ATOM 0 H GLU A 43 0.137 22.539 19.397 1.00 4.45 H new ATOM 0 HA GLU A 43 -0.565 19.843 19.819 1.00 64.20 H new ATOM 0 HB2 GLU A 43 -1.682 22.547 20.388 1.00 42.32 H new ATOM 0 HB3 GLU A 43 -2.845 21.237 20.371 1.00 42.32 H new ATOM 0 HG2 GLU A 43 -1.753 20.085 22.141 1.00 53.53 H new ATOM 0 HG3 GLU A 43 -0.287 21.029 21.968 1.00 53.53 H new ATOM 657 N ALA A 44 -2.163 21.402 17.393 1.00 4.11 N ATOM 658 CA ALA A 44 -3.017 21.198 16.230 1.00 32.55 C ATOM 659 C ALA A 44 -2.314 20.350 15.175 1.00 4.03 C ATOM 660 O ALA A 44 -2.945 19.547 14.489 1.00 30.21 O ATOM 661 CB ALA A 44 -3.437 22.537 15.642 1.00 21.41 C ATOM 0 H ALA A 44 -1.805 22.352 17.492 1.00 4.11 H new ATOM 0 HA ALA A 44 -3.909 20.661 16.554 1.00 32.55 H new ATOM 0 HB1 ALA A 44 -4.075 22.369 14.774 1.00 21.41 H new ATOM 0 HB2 ALA A 44 -3.987 23.107 16.391 1.00 21.41 H new ATOM 0 HB3 ALA A 44 -2.551 23.095 15.339 1.00 21.41 H new ATOM 667 N ALA A 45 -1.004 20.536 15.050 1.00 3.13 N ATOM 668 CA ALA A 45 -0.215 19.788 14.079 1.00 63.24 C ATOM 669 C ALA A 45 0.036 18.362 14.557 1.00 12.23 C ATOM 670 O ALA A 45 0.257 17.456 13.754 1.00 70.51 O ATOM 671 CB ALA A 45 1.104 20.497 13.811 1.00 51.35 C ATOM 0 H ALA A 45 -0.467 21.199 15.609 1.00 3.13 H new ATOM 0 HA ALA A 45 -0.782 19.737 13.150 1.00 63.24 H new ATOM 0 HB1 ALA A 45 1.682 19.927 13.084 1.00 51.35 H new ATOM 0 HB2 ALA A 45 0.908 21.494 13.417 1.00 51.35 H new ATOM 0 HB3 ALA A 45 1.668 20.579 14.740 1.00 51.35 H new ATOM 677 N LYS A 46 0.003 18.170 15.871 1.00 13.15 N ATOM 678 CA LYS A 46 0.226 16.855 16.459 1.00 23.44 C ATOM 679 C LYS A 46 -0.975 15.944 16.228 1.00 13.15 C ATOM 680 O LYS A 46 -0.822 14.770 15.888 1.00 51.02 O ATOM 681 CB LYS A 46 0.503 16.983 17.959 1.00 74.41 C ATOM 682 CG LYS A 46 1.016 15.703 18.594 1.00 31.13 C ATOM 683 CD LYS A 46 1.594 15.959 19.976 1.00 64.01 C ATOM 684 CE LYS A 46 1.379 14.770 20.900 1.00 41.22 C ATOM 685 NZ LYS A 46 1.717 15.098 22.312 1.00 54.10 N ATOM 0 H LYS A 46 -0.176 18.910 16.550 1.00 13.15 H new ATOM 0 HA LYS A 46 1.095 16.411 15.973 1.00 23.44 H new ATOM 0 HB2 LYS A 46 1.234 17.776 18.119 1.00 74.41 H new ATOM 0 HB3 LYS A 46 -0.413 17.287 18.464 1.00 74.41 H new ATOM 0 HG2 LYS A 46 0.203 14.981 18.667 1.00 31.13 H new ATOM 0 HG3 LYS A 46 1.780 15.260 17.955 1.00 31.13 H new ATOM 0 HD2 LYS A 46 2.661 16.168 19.892 1.00 64.01 H new ATOM 0 HD3 LYS A 46 1.129 16.845 20.408 1.00 64.01 H new ATOM 0 HE2 LYS A 46 0.340 14.447 20.841 1.00 41.22 H new ATOM 0 HE3 LYS A 46 1.992 13.934 20.565 1.00 41.22 H new ATOM 0 HZ1 LYS A 46 1.557 14.262 22.910 1.00 54.10 H new ATOM 0 HZ2 LYS A 46 2.716 15.382 22.373 1.00 54.10 H new ATOM 0 HZ3 LYS A 46 1.114 15.879 22.641 1.00 54.10 H new ATOM 699 N LYS A 47 -2.171 16.492 16.414 1.00 71.10 N ATOM 700 CA LYS A 47 -3.401 15.731 16.223 1.00 2.55 C ATOM 701 C LYS A 47 -3.553 15.300 14.768 1.00 22.21 C ATOM 702 O LYS A 47 -4.208 14.301 14.472 1.00 10.13 O ATOM 703 CB LYS A 47 -4.611 16.564 16.649 1.00 71.14 C ATOM 704 CG LYS A 47 -5.248 16.093 17.945 1.00 74.42 C ATOM 705 CD LYS A 47 -4.980 17.063 19.084 1.00 33.43 C ATOM 706 CE LYS A 47 -6.070 18.118 19.184 1.00 53.22 C ATOM 707 NZ LYS A 47 -5.669 19.248 20.069 1.00 62.55 N ATOM 0 H LYS A 47 -2.315 17.461 16.697 1.00 71.10 H new ATOM 0 HA LYS A 47 -3.347 14.837 16.844 1.00 2.55 H new ATOM 0 HB2 LYS A 47 -4.304 17.604 16.762 1.00 71.14 H new ATOM 0 HB3 LYS A 47 -5.358 16.536 15.856 1.00 71.14 H new ATOM 0 HG2 LYS A 47 -6.323 15.984 17.804 1.00 74.42 H new ATOM 0 HG3 LYS A 47 -4.859 15.108 18.205 1.00 74.42 H new ATOM 0 HD2 LYS A 47 -4.916 16.514 20.024 1.00 33.43 H new ATOM 0 HD3 LYS A 47 -4.016 17.548 18.932 1.00 33.43 H new ATOM 0 HE2 LYS A 47 -6.299 18.500 18.189 1.00 53.22 H new ATOM 0 HE3 LYS A 47 -6.983 17.662 19.568 1.00 53.22 H new ATOM 0 HZ1 LYS A 47 -6.439 19.946 20.111 1.00 62.55 H new ATOM 0 HZ2 LYS A 47 -5.475 18.888 21.025 1.00 62.55 H new ATOM 0 HZ3 LYS A 47 -4.813 19.700 19.689 1.00 62.55 H new ATOM 721 N ALA A 48 -2.945 16.060 13.863 1.00 12.44 N ATOM 722 CA ALA A 48 -3.010 15.754 12.440 1.00 52.02 C ATOM 723 C ALA A 48 -2.179 14.520 12.104 1.00 5.03 C ATOM 724 O ALA A 48 -2.635 13.630 11.388 1.00 25.11 O ATOM 725 CB ALA A 48 -2.541 16.948 11.621 1.00 72.20 C ATOM 0 H ALA A 48 -2.402 16.893 14.091 1.00 12.44 H new ATOM 0 HA ALA A 48 -4.048 15.539 12.188 1.00 52.02 H new ATOM 0 HB1 ALA A 48 -2.595 16.705 10.560 1.00 72.20 H new ATOM 0 HB2 ALA A 48 -3.180 17.806 11.830 1.00 72.20 H new ATOM 0 HB3 ALA A 48 -1.512 17.189 11.886 1.00 72.20 H new ATOM 731 N GLU A 49 -0.957 14.476 12.626 1.00 13.11 N ATOM 732 CA GLU A 49 -0.063 13.351 12.380 1.00 31.12 C ATOM 733 C GLU A 49 -0.489 12.129 13.188 1.00 53.05 C ATOM 734 O GLU A 49 -0.329 10.993 12.745 1.00 21.23 O ATOM 735 CB GLU A 49 1.378 13.731 12.730 1.00 13.14 C ATOM 736 CG GLU A 49 2.404 12.706 12.277 1.00 44.40 C ATOM 737 CD GLU A 49 3.401 13.278 11.287 1.00 71.43 C ATOM 738 OE1 GLU A 49 4.470 13.750 11.727 1.00 12.22 O ATOM 739 OE2 GLU A 49 3.112 13.254 10.072 1.00 55.24 O ATOM 0 H GLU A 49 -0.564 15.205 13.221 1.00 13.11 H new ATOM 0 HA GLU A 49 -0.119 13.101 11.321 1.00 31.12 H new ATOM 0 HB2 GLU A 49 1.612 14.693 12.274 1.00 13.14 H new ATOM 0 HB3 GLU A 49 1.459 13.861 13.809 1.00 13.14 H new ATOM 0 HG2 GLU A 49 2.939 12.324 13.146 1.00 44.40 H new ATOM 0 HG3 GLU A 49 1.890 11.859 11.822 1.00 44.40 H new ATOM 746 N GLU A 50 -1.033 12.373 14.376 1.00 31.33 N ATOM 747 CA GLU A 50 -1.482 11.292 15.247 1.00 21.24 C ATOM 748 C GLU A 50 -2.725 10.615 14.677 1.00 1.14 C ATOM 749 O GLU A 50 -2.942 9.419 14.877 1.00 13.54 O ATOM 750 CB GLU A 50 -1.777 11.826 16.650 1.00 4.32 C ATOM 751 CG GLU A 50 -1.678 10.770 17.737 1.00 10.02 C ATOM 752 CD GLU A 50 -1.945 11.330 19.121 1.00 21.24 C ATOM 753 OE1 GLU A 50 -2.105 12.562 19.241 1.00 5.54 O ATOM 754 OE2 GLU A 50 -1.994 10.535 20.083 1.00 45.44 O ATOM 0 H GLU A 50 -1.174 13.308 14.757 1.00 31.33 H new ATOM 0 HA GLU A 50 -0.683 10.554 15.308 1.00 21.24 H new ATOM 0 HB2 GLU A 50 -1.081 12.634 16.876 1.00 4.32 H new ATOM 0 HB3 GLU A 50 -2.779 12.255 16.663 1.00 4.32 H new ATOM 0 HG2 GLU A 50 -2.390 9.972 17.529 1.00 10.02 H new ATOM 0 HG3 GLU A 50 -0.684 10.324 17.715 1.00 10.02 H new ATOM 761 N LEU A 51 -3.538 11.388 13.965 1.00 34.22 N ATOM 762 CA LEU A 51 -4.761 10.863 13.367 1.00 64.13 C ATOM 763 C LEU A 51 -4.440 9.841 12.280 1.00 21.12 C ATOM 764 O LEU A 51 -5.226 8.930 12.019 1.00 12.50 O ATOM 765 CB LEU A 51 -5.594 12.004 12.778 1.00 12.34 C ATOM 766 CG LEU A 51 -6.798 12.452 13.608 1.00 61.32 C ATOM 767 CD1 LEU A 51 -7.041 13.943 13.433 1.00 73.33 C ATOM 768 CD2 LEU A 51 -8.037 11.657 13.220 1.00 50.23 C ATOM 0 H LEU A 51 -3.373 12.379 13.788 1.00 34.22 H new ATOM 0 HA LEU A 51 -5.335 10.367 14.150 1.00 64.13 H new ATOM 0 HB2 LEU A 51 -4.941 12.864 12.627 1.00 12.34 H new ATOM 0 HB3 LEU A 51 -5.950 11.698 11.794 1.00 12.34 H new ATOM 0 HG LEU A 51 -6.583 12.262 14.660 1.00 61.32 H new ATOM 0 HD11 LEU A 51 -7.901 14.244 14.031 1.00 73.33 H new ATOM 0 HD12 LEU A 51 -6.160 14.496 13.760 1.00 73.33 H new ATOM 0 HD13 LEU A 51 -7.236 14.159 12.383 1.00 73.33 H new ATOM 0 HD21 LEU A 51 -8.885 11.988 13.820 1.00 50.23 H new ATOM 0 HD22 LEU A 51 -8.256 11.816 12.164 1.00 50.23 H new ATOM 0 HD23 LEU A 51 -7.859 10.596 13.398 1.00 50.23 H new ATOM 780 N PHE A 52 -3.279 9.998 11.651 1.00 15.31 N ATOM 781 CA PHE A 52 -2.854 9.087 10.595 1.00 2.42 C ATOM 782 C PHE A 52 -2.801 7.650 11.104 1.00 21.44 C ATOM 783 O PHE A 52 -3.067 6.706 10.360 1.00 34.41 O ATOM 784 CB PHE A 52 -1.482 9.502 10.058 1.00 75.44 C ATOM 785 CG PHE A 52 -1.410 9.533 8.558 1.00 35.23 C ATOM 786 CD1 PHE A 52 -0.927 8.442 7.852 1.00 54.13 C ATOM 787 CD2 PHE A 52 -1.824 10.651 7.854 1.00 44.42 C ATOM 788 CE1 PHE A 52 -0.860 8.467 6.472 1.00 21.05 C ATOM 789 CE2 PHE A 52 -1.760 10.681 6.473 1.00 2.41 C ATOM 790 CZ PHE A 52 -1.276 9.589 5.782 1.00 21.10 C ATOM 0 H PHE A 52 -2.617 10.747 11.854 1.00 15.31 H new ATOM 0 HA PHE A 52 -3.584 9.140 9.788 1.00 2.42 H new ATOM 0 HB2 PHE A 52 -1.232 10.489 10.446 1.00 75.44 H new ATOM 0 HB3 PHE A 52 -0.729 8.811 10.436 1.00 75.44 H new ATOM 0 HD1 PHE A 52 -0.599 7.563 8.387 1.00 54.13 H new ATOM 0 HD2 PHE A 52 -2.201 11.510 8.390 1.00 44.42 H new ATOM 0 HE1 PHE A 52 -0.483 7.610 5.933 1.00 21.05 H new ATOM 0 HE2 PHE A 52 -2.089 11.558 5.936 1.00 2.41 H new ATOM 0 HZ PHE A 52 -1.223 9.612 4.704 1.00 21.10 H new ATOM 800 N LYS A 53 -2.453 7.491 12.376 1.00 44.41 N ATOM 801 CA LYS A 53 -2.364 6.171 12.987 1.00 72.30 C ATOM 802 C LYS A 53 -3.720 5.472 12.973 1.00 40.14 C ATOM 803 O LYS A 53 -3.811 4.276 12.695 1.00 11.22 O ATOM 804 CB LYS A 53 -1.852 6.284 14.425 1.00 42.34 C ATOM 805 CG LYS A 53 -0.799 5.250 14.780 1.00 22.12 C ATOM 806 CD LYS A 53 -1.253 4.363 15.927 1.00 11.53 C ATOM 807 CE LYS A 53 -0.171 3.370 16.326 1.00 22.04 C ATOM 808 NZ LYS A 53 -0.718 1.997 16.509 1.00 63.21 N ATOM 0 H LYS A 53 -2.228 8.262 13.005 1.00 44.41 H new ATOM 0 HA LYS A 53 -1.662 5.576 12.404 1.00 72.30 H new ATOM 0 HB2 LYS A 53 -1.436 7.280 14.576 1.00 42.34 H new ATOM 0 HB3 LYS A 53 -2.694 6.183 15.110 1.00 42.34 H new ATOM 0 HG2 LYS A 53 -0.583 4.635 13.907 1.00 22.12 H new ATOM 0 HG3 LYS A 53 0.129 5.753 15.053 1.00 22.12 H new ATOM 0 HD2 LYS A 53 -1.515 4.982 16.785 1.00 11.53 H new ATOM 0 HD3 LYS A 53 -2.154 3.823 15.636 1.00 11.53 H new ATOM 0 HE2 LYS A 53 0.606 3.353 15.561 1.00 22.04 H new ATOM 0 HE3 LYS A 53 0.301 3.699 17.252 1.00 22.04 H new ATOM 0 HZ1 LYS A 53 0.050 1.351 16.780 1.00 63.21 H new ATOM 0 HZ2 LYS A 53 -1.441 2.008 17.256 1.00 63.21 H new ATOM 0 HZ3 LYS A 53 -1.146 1.672 15.618 1.00 63.21 H new ATOM 822 N LEU A 54 -4.772 6.228 13.271 1.00 35.34 N ATOM 823 CA LEU A 54 -6.124 5.681 13.291 1.00 33.34 C ATOM 824 C LEU A 54 -6.655 5.487 11.873 1.00 10.45 C ATOM 825 O LEU A 54 -7.392 4.541 11.601 1.00 64.54 O ATOM 826 CB LEU A 54 -7.058 6.605 14.075 1.00 11.31 C ATOM 827 CG LEU A 54 -7.616 6.042 15.383 1.00 43.50 C ATOM 828 CD1 LEU A 54 -8.414 4.774 15.121 1.00 51.41 C ATOM 829 CD2 LEU A 54 -6.491 5.772 16.371 1.00 20.43 C ATOM 0 H LEU A 54 -4.714 7.220 13.502 1.00 35.34 H new ATOM 0 HA LEU A 54 -6.088 4.709 13.782 1.00 33.34 H new ATOM 0 HB2 LEU A 54 -6.521 7.527 14.299 1.00 11.31 H new ATOM 0 HB3 LEU A 54 -7.896 6.873 13.431 1.00 11.31 H new ATOM 0 HG LEU A 54 -8.285 6.784 15.819 1.00 43.50 H new ATOM 0 HD11 LEU A 54 -8.803 4.388 16.063 1.00 51.41 H new ATOM 0 HD12 LEU A 54 -9.244 4.998 14.450 1.00 51.41 H new ATOM 0 HD13 LEU A 54 -7.768 4.026 14.661 1.00 51.41 H new ATOM 0 HD21 LEU A 54 -6.907 5.372 17.296 1.00 20.43 H new ATOM 0 HD22 LEU A 54 -5.796 5.049 15.943 1.00 20.43 H new ATOM 0 HD23 LEU A 54 -5.962 6.701 16.583 1.00 20.43 H new ATOM 841 N ALA A 55 -6.270 6.388 10.976 1.00 41.34 N ATOM 842 CA ALA A 55 -6.704 6.315 9.587 1.00 64.30 C ATOM 843 C ALA A 55 -6.193 5.043 8.920 1.00 25.51 C ATOM 844 O ALA A 55 -6.785 4.556 7.956 1.00 55.41 O ATOM 845 CB ALA A 55 -6.230 7.541 8.820 1.00 45.53 C ATOM 0 H ALA A 55 -5.659 7.177 11.186 1.00 41.34 H new ATOM 0 HA ALA A 55 -7.794 6.290 9.573 1.00 64.30 H new ATOM 0 HB1 ALA A 55 -6.562 7.473 7.784 1.00 45.53 H new ATOM 0 HB2 ALA A 55 -6.647 8.439 9.276 1.00 45.53 H new ATOM 0 HB3 ALA A 55 -5.142 7.591 8.850 1.00 45.53 H new ATOM 851 N GLU A 56 -5.091 4.509 9.437 1.00 44.22 N ATOM 852 CA GLU A 56 -4.501 3.293 8.889 1.00 41.44 C ATOM 853 C GLU A 56 -5.301 2.064 9.309 1.00 30.02 C ATOM 854 O GLU A 56 -5.525 1.155 8.510 1.00 35.34 O ATOM 855 CB GLU A 56 -3.048 3.153 9.349 1.00 75.10 C ATOM 856 CG GLU A 56 -2.150 2.476 8.328 1.00 0.14 C ATOM 857 CD GLU A 56 -0.697 2.889 8.465 1.00 52.30 C ATOM 858 OE1 GLU A 56 -0.020 2.381 9.384 1.00 54.41 O ATOM 859 OE2 GLU A 56 -0.236 3.721 7.656 1.00 73.25 O ATOM 0 H GLU A 56 -4.589 4.899 10.234 1.00 44.22 H new ATOM 0 HA GLU A 56 -4.524 3.365 7.802 1.00 41.44 H new ATOM 0 HB2 GLU A 56 -2.649 4.143 9.572 1.00 75.10 H new ATOM 0 HB3 GLU A 56 -3.023 2.583 10.278 1.00 75.10 H new ATOM 0 HG2 GLU A 56 -2.229 1.395 8.441 1.00 0.14 H new ATOM 0 HG3 GLU A 56 -2.500 2.718 7.324 1.00 0.14 H new ATOM 866 N GLU A 57 -5.727 2.044 10.568 1.00 30.43 N ATOM 867 CA GLU A 57 -6.499 0.924 11.094 1.00 55.53 C ATOM 868 C GLU A 57 -7.954 1.005 10.639 1.00 43.20 C ATOM 869 O GLU A 57 -8.668 0.003 10.625 1.00 41.31 O ATOM 870 CB GLU A 57 -6.433 0.904 12.623 1.00 51.55 C ATOM 871 CG GLU A 57 -5.291 0.067 13.172 1.00 1.24 C ATOM 872 CD GLU A 57 -4.968 0.396 14.617 1.00 44.42 C ATOM 873 OE1 GLU A 57 -3.814 0.786 14.892 1.00 2.45 O ATOM 874 OE2 GLU A 57 -5.868 0.265 15.472 1.00 73.43 O ATOM 0 H GLU A 57 -5.551 2.789 11.242 1.00 30.43 H new ATOM 0 HA GLU A 57 -6.065 0.003 10.706 1.00 55.53 H new ATOM 0 HB2 GLU A 57 -6.331 1.926 12.987 1.00 51.55 H new ATOM 0 HB3 GLU A 57 -7.375 0.519 13.014 1.00 51.55 H new ATOM 0 HG2 GLU A 57 -5.549 -0.989 13.093 1.00 1.24 H new ATOM 0 HG3 GLU A 57 -4.403 0.225 12.560 1.00 1.24 H new ATOM 881 N ARG A 58 -8.385 2.206 10.266 1.00 1.45 N ATOM 882 CA ARG A 58 -9.753 2.420 9.812 1.00 31.53 C ATOM 883 C ARG A 58 -9.823 2.442 8.287 1.00 15.04 C ATOM 884 O ARG A 58 -10.326 1.506 7.664 1.00 15.11 O ATOM 885 CB ARG A 58 -10.302 3.731 10.377 1.00 50.34 C ATOM 886 CG ARG A 58 -10.530 3.700 11.880 1.00 24.35 C ATOM 887 CD ARG A 58 -11.843 3.018 12.230 1.00 2.42 C ATOM 888 NE ARG A 58 -11.662 1.954 13.215 1.00 5.44 N ATOM 889 CZ ARG A 58 -12.658 1.224 13.700 1.00 71.33 C ATOM 890 NH1 ARG A 58 -13.902 1.440 13.293 1.00 23.33 N ATOM 891 NH2 ARG A 58 -12.414 0.273 14.593 1.00 61.13 N ATOM 0 H ARG A 58 -7.806 3.046 10.270 1.00 1.45 H new ATOM 0 HA ARG A 58 -10.363 1.593 10.175 1.00 31.53 H new ATOM 0 HB2 ARG A 58 -9.608 4.537 10.140 1.00 50.34 H new ATOM 0 HB3 ARG A 58 -11.244 3.965 9.880 1.00 50.34 H new ATOM 0 HG2 ARG A 58 -9.706 3.175 12.363 1.00 24.35 H new ATOM 0 HG3 ARG A 58 -10.532 4.718 12.270 1.00 24.35 H new ATOM 0 HD2 ARG A 58 -12.543 3.757 12.620 1.00 2.42 H new ATOM 0 HD3 ARG A 58 -12.288 2.603 11.326 1.00 2.42 H new ATOM 0 HE ARG A 58 -10.717 1.762 13.548 1.00 5.44 H new ATOM 0 HH11 ARG A 58 -14.094 2.169 12.606 1.00 23.33 H new ATOM 0 HH12 ARG A 58 -14.666 0.877 13.667 1.00 23.33 H new ATOM 0 HH21 ARG A 58 -11.459 0.102 14.908 1.00 61.13 H new ATOM 0 HH22 ARG A 58 -13.181 -0.287 14.964 1.00 61.13 H new ATOM 905 N LEU A 59 -9.315 3.515 7.693 1.00 1.45 N ATOM 906 CA LEU A 59 -9.318 3.660 6.241 1.00 30.04 C ATOM 907 C LEU A 59 -8.058 3.054 5.630 1.00 33.21 C ATOM 908 O LEU A 59 -7.402 3.674 4.793 1.00 33.45 O ATOM 909 CB LEU A 59 -9.426 5.136 5.856 1.00 53.42 C ATOM 910 CG LEU A 59 -10.723 5.841 6.258 1.00 21.30 C ATOM 911 CD1 LEU A 59 -10.744 7.264 5.722 1.00 11.52 C ATOM 912 CD2 LEU A 59 -11.931 5.062 5.757 1.00 24.33 C ATOM 0 H LEU A 59 -8.895 4.298 8.194 1.00 1.45 H new ATOM 0 HA LEU A 59 -10.183 3.125 5.849 1.00 30.04 H new ATOM 0 HB2 LEU A 59 -8.590 5.671 6.307 1.00 53.42 H new ATOM 0 HB3 LEU A 59 -9.311 5.218 4.775 1.00 53.42 H new ATOM 0 HG LEU A 59 -10.769 5.883 7.346 1.00 21.30 H new ATOM 0 HD11 LEU A 59 -11.674 7.750 6.017 1.00 11.52 H new ATOM 0 HD12 LEU A 59 -9.899 7.819 6.129 1.00 11.52 H new ATOM 0 HD13 LEU A 59 -10.675 7.244 4.634 1.00 11.52 H new ATOM 0 HD21 LEU A 59 -12.845 5.578 6.052 1.00 24.33 H new ATOM 0 HD22 LEU A 59 -11.891 4.988 4.670 1.00 24.33 H new ATOM 0 HD23 LEU A 59 -11.924 4.061 6.189 1.00 24.33 H new ATOM 1049 N LEU B 4 -2.542 42.195 13.051 1.00 64.44 N ATOM 1050 CA LEU B 4 -1.906 40.884 12.976 1.00 53.44 C ATOM 1051 C LEU B 4 -2.656 39.867 13.831 1.00 32.34 C ATOM 1052 O LEU B 4 -3.273 38.938 13.310 1.00 22.42 O ATOM 1053 CB LEU B 4 -0.450 40.976 13.433 1.00 25.11 C ATOM 1054 CG LEU B 4 0.331 42.198 12.946 1.00 75.51 C ATOM 1055 CD1 LEU B 4 0.767 43.056 14.124 1.00 62.43 C ATOM 1056 CD2 LEU B 4 1.534 41.768 12.120 1.00 2.54 C ATOM 0 HA LEU B 4 -1.934 40.551 11.938 1.00 53.44 H new ATOM 0 HB2 LEU B 4 -0.431 40.968 14.523 1.00 25.11 H new ATOM 0 HB3 LEU B 4 0.072 40.079 13.099 1.00 25.11 H new ATOM 0 HG LEU B 4 -0.323 42.795 12.311 1.00 75.51 H new ATOM 0 HD11 LEU B 4 1.321 43.921 13.759 1.00 62.43 H new ATOM 0 HD12 LEU B 4 -0.112 43.394 14.673 1.00 62.43 H new ATOM 0 HD13 LEU B 4 1.405 42.469 14.785 1.00 62.43 H new ATOM 0 HD21 LEU B 4 2.078 42.650 11.782 1.00 2.54 H new ATOM 0 HD22 LEU B 4 2.191 41.148 12.730 1.00 2.54 H new ATOM 0 HD23 LEU B 4 1.196 41.197 11.255 1.00 2.54 H new ATOM 1068 N ARG B 5 -2.599 40.050 15.146 1.00 5.12 N ATOM 1069 CA ARG B 5 -3.273 39.149 16.074 1.00 25.51 C ATOM 1070 C ARG B 5 -4.739 38.974 15.692 1.00 34.20 C ATOM 1071 O ARG B 5 -5.316 37.905 15.883 1.00 74.12 O ATOM 1072 CB ARG B 5 -3.166 39.680 17.503 1.00 1.43 C ATOM 1073 CG ARG B 5 -1.782 39.519 18.111 1.00 43.20 C ATOM 1074 CD ARG B 5 -1.146 40.867 18.415 1.00 14.20 C ATOM 1075 NE ARG B 5 0.202 40.726 18.958 1.00 33.34 N ATOM 1076 CZ ARG B 5 1.265 40.429 18.220 1.00 61.10 C ATOM 1077 NH1 ARG B 5 1.138 40.244 16.913 1.00 41.22 N ATOM 1078 NH2 ARG B 5 2.460 40.318 18.787 1.00 40.43 N ATOM 0 H ARG B 5 -2.093 40.814 15.593 1.00 5.12 H new ATOM 0 HA ARG B 5 -2.783 38.177 16.019 1.00 25.51 H new ATOM 0 HB2 ARG B 5 -3.436 40.736 17.510 1.00 1.43 H new ATOM 0 HB3 ARG B 5 -3.891 39.161 18.130 1.00 1.43 H new ATOM 0 HG2 ARG B 5 -1.852 38.934 19.028 1.00 43.20 H new ATOM 0 HG3 ARG B 5 -1.145 38.961 17.425 1.00 43.20 H new ATOM 0 HD2 ARG B 5 -1.109 41.464 17.504 1.00 14.20 H new ATOM 0 HD3 ARG B 5 -1.769 41.409 19.127 1.00 14.20 H new ATOM 0 HE ARG B 5 0.334 40.863 19.960 1.00 33.34 H new ATOM 0 HH11 ARG B 5 0.222 40.330 16.472 1.00 41.22 H new ATOM 0 HH12 ARG B 5 1.956 40.016 16.348 1.00 41.22 H new ATOM 0 HH21 ARG B 5 2.563 40.461 19.792 1.00 40.43 H new ATOM 0 HH22 ARG B 5 3.275 40.090 18.218 1.00 40.43 H new ATOM 1092 N GLU B 6 -5.336 40.034 15.154 1.00 32.23 N ATOM 1093 CA GLU B 6 -6.736 39.996 14.747 1.00 54.52 C ATOM 1094 C GLU B 6 -6.977 38.890 13.725 1.00 54.31 C ATOM 1095 O GLU B 6 -7.932 38.121 13.841 1.00 0.42 O ATOM 1096 CB GLU B 6 -7.156 41.347 14.162 1.00 53.30 C ATOM 1097 CG GLU B 6 -8.645 41.451 13.880 1.00 61.51 C ATOM 1098 CD GLU B 6 -9.492 41.226 15.118 1.00 22.15 C ATOM 1099 OE1 GLU B 6 -10.491 40.483 15.025 1.00 51.23 O ATOM 1100 OE2 GLU B 6 -9.154 41.792 16.179 1.00 23.31 O ATOM 0 H GLU B 6 -4.873 40.928 14.990 1.00 32.23 H new ATOM 0 HA GLU B 6 -7.339 39.787 15.631 1.00 54.52 H new ATOM 0 HB2 GLU B 6 -6.870 42.138 14.855 1.00 53.30 H new ATOM 0 HB3 GLU B 6 -6.606 41.519 13.237 1.00 53.30 H new ATOM 0 HG2 GLU B 6 -8.865 42.436 13.468 1.00 61.51 H new ATOM 0 HG3 GLU B 6 -8.919 40.720 13.120 1.00 61.51 H new ATOM 1107 N GLU B 7 -6.105 38.815 12.725 1.00 40.03 N ATOM 1108 CA GLU B 7 -6.224 37.804 11.682 1.00 73.23 C ATOM 1109 C GLU B 7 -5.797 36.434 12.201 1.00 33.30 C ATOM 1110 O GLU B 7 -6.305 35.405 11.759 1.00 72.30 O ATOM 1111 CB GLU B 7 -5.377 38.189 10.468 1.00 62.15 C ATOM 1112 CG GLU B 7 -6.075 39.147 9.517 1.00 32.54 C ATOM 1113 CD GLU B 7 -5.174 39.606 8.387 1.00 50.40 C ATOM 1114 OE1 GLU B 7 -3.973 39.835 8.642 1.00 60.51 O ATOM 1115 OE2 GLU B 7 -5.670 39.738 7.249 1.00 43.35 O ATOM 0 H GLU B 7 -5.308 39.442 12.615 1.00 40.03 H new ATOM 0 HA GLU B 7 -7.271 37.750 11.382 1.00 73.23 H new ATOM 0 HB2 GLU B 7 -4.449 38.645 10.813 1.00 62.15 H new ATOM 0 HB3 GLU B 7 -5.105 37.285 9.924 1.00 62.15 H new ATOM 0 HG2 GLU B 7 -6.957 38.661 9.099 1.00 32.54 H new ATOM 0 HG3 GLU B 7 -6.424 40.016 10.074 1.00 32.54 H new ATOM 1122 N ALA B 8 -4.859 36.431 13.142 1.00 23.25 N ATOM 1123 CA ALA B 8 -4.363 35.189 13.723 1.00 64.22 C ATOM 1124 C ALA B 8 -5.512 34.318 14.218 1.00 42.02 C ATOM 1125 O ALA B 8 -5.606 33.141 13.871 1.00 3.23 O ATOM 1126 CB ALA B 8 -3.396 35.487 14.860 1.00 45.20 C ATOM 0 H ALA B 8 -4.427 37.275 13.519 1.00 23.25 H new ATOM 0 HA ALA B 8 -3.833 34.639 12.945 1.00 64.22 H new ATOM 0 HB1 ALA B 8 -3.034 34.551 15.284 1.00 45.20 H new ATOM 0 HB2 ALA B 8 -2.553 36.063 14.479 1.00 45.20 H new ATOM 0 HB3 ALA B 8 -3.908 36.061 15.632 1.00 45.20 H new ATOM 1132 N ALA B 9 -6.384 34.903 15.031 1.00 14.31 N ATOM 1133 CA ALA B 9 -7.528 34.180 15.574 1.00 24.03 C ATOM 1134 C ALA B 9 -8.418 33.644 14.457 1.00 3.20 C ATOM 1135 O ALA B 9 -9.062 32.606 14.607 1.00 31.51 O ATOM 1136 CB ALA B 9 -8.328 35.079 16.504 1.00 42.14 C ATOM 0 H ALA B 9 -6.321 35.876 15.329 1.00 14.31 H new ATOM 0 HA ALA B 9 -7.153 33.330 16.144 1.00 24.03 H new ATOM 0 HB1 ALA B 9 -9.179 34.526 16.902 1.00 42.14 H new ATOM 0 HB2 ALA B 9 -7.693 35.409 17.326 1.00 42.14 H new ATOM 0 HB3 ALA B 9 -8.686 35.948 15.951 1.00 42.14 H new ATOM 1142 N LYS B 10 -8.450 34.360 13.338 1.00 13.52 N ATOM 1143 CA LYS B 10 -9.260 33.957 12.195 1.00 74.04 C ATOM 1144 C LYS B 10 -8.603 32.808 11.439 1.00 2.44 C ATOM 1145 O LYS B 10 -9.284 31.956 10.867 1.00 63.11 O ATOM 1146 CB LYS B 10 -9.477 35.145 11.253 1.00 31.52 C ATOM 1147 CG LYS B 10 -10.137 34.765 9.939 1.00 3.32 C ATOM 1148 CD LYS B 10 -9.107 34.509 8.851 1.00 64.20 C ATOM 1149 CE LYS B 10 -9.412 35.309 7.595 1.00 43.43 C ATOM 1150 NZ LYS B 10 -10.199 34.518 6.609 1.00 31.51 N ATOM 0 H LYS B 10 -7.924 35.223 13.199 1.00 13.52 H new ATOM 0 HA LYS B 10 -10.226 33.616 12.569 1.00 74.04 H new ATOM 0 HB2 LYS B 10 -10.092 35.890 11.757 1.00 31.52 H new ATOM 0 HB3 LYS B 10 -8.515 35.614 11.045 1.00 31.52 H new ATOM 0 HG2 LYS B 10 -10.746 33.873 10.082 1.00 3.32 H new ATOM 0 HG3 LYS B 10 -10.809 35.563 9.624 1.00 3.32 H new ATOM 0 HD2 LYS B 10 -8.115 34.771 9.219 1.00 64.20 H new ATOM 0 HD3 LYS B 10 -9.087 33.446 8.611 1.00 64.20 H new ATOM 0 HE2 LYS B 10 -9.966 36.209 7.863 1.00 43.43 H new ATOM 0 HE3 LYS B 10 -8.478 35.635 7.136 1.00 43.43 H new ATOM 0 HZ1 LYS B 10 -10.386 35.100 5.767 1.00 31.51 H new ATOM 0 HZ2 LYS B 10 -9.660 33.672 6.333 1.00 31.51 H new ATOM 0 HZ3 LYS B 10 -11.102 34.229 7.037 1.00 31.51 H new ATOM 1164 N LEU B 11 -7.274 32.788 11.442 1.00 22.01 N ATOM 1165 CA LEU B 11 -6.523 31.742 10.757 1.00 40.11 C ATOM 1166 C LEU B 11 -6.980 30.358 11.209 1.00 53.51 C ATOM 1167 O LEU B 11 -6.976 29.406 10.430 1.00 52.14 O ATOM 1168 CB LEU B 11 -5.025 31.908 11.019 1.00 33.55 C ATOM 1169 CG LEU B 11 -4.154 32.173 9.790 1.00 14.11 C ATOM 1170 CD1 LEU B 11 -4.071 30.930 8.917 1.00 12.44 C ATOM 1171 CD2 LEU B 11 -4.698 33.350 8.995 1.00 13.24 C ATOM 0 H LEU B 11 -6.695 33.484 11.911 1.00 22.01 H new ATOM 0 HA LEU B 11 -6.711 31.835 9.687 1.00 40.11 H new ATOM 0 HB2 LEU B 11 -4.888 32.731 11.721 1.00 33.55 H new ATOM 0 HB3 LEU B 11 -4.660 31.006 11.510 1.00 33.55 H new ATOM 0 HG LEU B 11 -3.148 32.423 10.128 1.00 14.11 H new ATOM 0 HD11 LEU B 11 -3.447 31.137 8.047 1.00 12.44 H new ATOM 0 HD12 LEU B 11 -3.635 30.112 9.490 1.00 12.44 H new ATOM 0 HD13 LEU B 11 -5.071 30.649 8.587 1.00 12.44 H new ATOM 0 HD21 LEU B 11 -4.066 33.524 8.124 1.00 13.24 H new ATOM 0 HD22 LEU B 11 -5.714 33.129 8.668 1.00 13.24 H new ATOM 0 HD23 LEU B 11 -4.705 34.241 9.623 1.00 13.24 H new ATOM 1183 N PHE B 12 -7.376 30.257 12.474 1.00 71.42 N ATOM 1184 CA PHE B 12 -7.838 28.990 13.030 1.00 60.25 C ATOM 1185 C PHE B 12 -9.044 28.464 12.257 1.00 54.43 C ATOM 1186 O PHE B 12 -9.273 27.257 12.191 1.00 51.21 O ATOM 1187 CB PHE B 12 -8.199 29.159 14.507 1.00 53.51 C ATOM 1188 CG PHE B 12 -7.033 28.965 15.435 1.00 51.35 C ATOM 1189 CD1 PHE B 12 -5.822 29.588 15.186 1.00 3.23 C ATOM 1190 CD2 PHE B 12 -7.150 28.160 16.556 1.00 33.24 C ATOM 1191 CE1 PHE B 12 -4.747 29.413 16.037 1.00 52.03 C ATOM 1192 CE2 PHE B 12 -6.079 27.980 17.412 1.00 70.31 C ATOM 1193 CZ PHE B 12 -4.876 28.607 17.151 1.00 11.35 C ATOM 0 H PHE B 12 -7.386 31.036 13.132 1.00 71.42 H new ATOM 0 HA PHE B 12 -7.028 28.266 12.941 1.00 60.25 H new ATOM 0 HB2 PHE B 12 -8.613 30.156 14.660 1.00 53.51 H new ATOM 0 HB3 PHE B 12 -8.982 28.446 14.766 1.00 53.51 H new ATOM 0 HD1 PHE B 12 -5.716 30.219 14.316 1.00 3.23 H new ATOM 0 HD2 PHE B 12 -8.088 27.667 16.764 1.00 33.24 H new ATOM 0 HE1 PHE B 12 -3.808 29.906 15.831 1.00 52.03 H new ATOM 0 HE2 PHE B 12 -6.183 27.350 18.283 1.00 70.31 H new ATOM 0 HZ PHE B 12 -4.038 28.467 17.817 1.00 11.35 H new ATOM 1203 N GLU B 13 -9.812 29.380 11.676 1.00 44.43 N ATOM 1204 CA GLU B 13 -10.995 29.009 10.909 1.00 41.25 C ATOM 1205 C GLU B 13 -10.605 28.357 9.586 1.00 33.04 C ATOM 1206 O GLU B 13 -11.319 27.496 9.072 1.00 51.42 O ATOM 1207 CB GLU B 13 -11.867 30.240 10.645 1.00 30.44 C ATOM 1208 CG GLU B 13 -13.358 29.957 10.719 1.00 44.13 C ATOM 1209 CD GLU B 13 -14.187 31.224 10.808 1.00 73.52 C ATOM 1210 OE1 GLU B 13 -13.928 32.038 11.717 1.00 43.23 O ATOM 1211 OE2 GLU B 13 -15.096 31.398 9.969 1.00 50.31 O ATOM 0 H GLU B 13 -9.636 30.384 11.722 1.00 44.43 H new ATOM 0 HA GLU B 13 -11.564 28.288 11.496 1.00 41.25 H new ATOM 0 HB2 GLU B 13 -11.616 31.015 11.370 1.00 30.44 H new ATOM 0 HB3 GLU B 13 -11.630 30.638 9.658 1.00 30.44 H new ATOM 0 HG2 GLU B 13 -13.661 29.390 9.839 1.00 44.13 H new ATOM 0 HG3 GLU B 13 -13.563 29.331 11.588 1.00 44.13 H new ATOM 1218 N GLU B 14 -9.465 28.772 9.042 1.00 50.42 N ATOM 1219 CA GLU B 14 -8.980 28.229 7.779 1.00 53.01 C ATOM 1220 C GLU B 14 -8.946 26.703 7.820 1.00 43.40 C ATOM 1221 O GLU B 14 -9.202 26.039 6.816 1.00 4.41 O ATOM 1222 CB GLU B 14 -7.585 28.773 7.466 1.00 0.21 C ATOM 1223 CG GLU B 14 -7.553 30.276 7.243 1.00 32.32 C ATOM 1224 CD GLU B 14 -7.751 30.654 5.789 1.00 24.54 C ATOM 1225 OE1 GLU B 14 -8.569 31.557 5.516 1.00 75.02 O ATOM 1226 OE2 GLU B 14 -7.086 30.048 4.922 1.00 14.15 O ATOM 0 H GLU B 14 -8.861 29.482 9.456 1.00 50.42 H new ATOM 0 HA GLU B 14 -9.667 28.539 6.992 1.00 53.01 H new ATOM 0 HB2 GLU B 14 -6.914 28.522 8.287 1.00 0.21 H new ATOM 0 HB3 GLU B 14 -7.201 28.274 6.576 1.00 0.21 H new ATOM 0 HG2 GLU B 14 -8.330 30.746 7.846 1.00 32.32 H new ATOM 0 HG3 GLU B 14 -6.598 30.671 7.590 1.00 32.32 H new ATOM 1233 N TRP B 15 -8.627 26.157 8.987 1.00 31.15 N ATOM 1234 CA TRP B 15 -8.558 24.710 9.160 1.00 24.33 C ATOM 1235 C TRP B 15 -9.890 24.057 8.812 1.00 74.11 C ATOM 1236 O TRP B 15 -9.929 23.006 8.171 1.00 50.22 O ATOM 1237 CB TRP B 15 -8.166 24.366 10.597 1.00 15.11 C ATOM 1238 CG TRP B 15 -6.890 25.017 11.038 1.00 30.32 C ATOM 1239 CD1 TRP B 15 -5.860 25.426 10.239 1.00 74.41 C ATOM 1240 CD2 TRP B 15 -6.507 25.331 12.382 1.00 62.14 C ATOM 1241 NE1 TRP B 15 -4.860 25.975 11.006 1.00 61.22 N ATOM 1242 CE2 TRP B 15 -5.233 25.930 12.322 1.00 74.02 C ATOM 1243 CE3 TRP B 15 -7.117 25.167 13.628 1.00 71.45 C ATOM 1244 CZ2 TRP B 15 -4.562 26.363 13.462 1.00 51.42 C ATOM 1245 CZ3 TRP B 15 -6.449 25.597 14.758 1.00 40.43 C ATOM 1246 CH2 TRP B 15 -5.183 26.190 14.670 1.00 22.31 C ATOM 0 H TRP B 15 -8.412 26.693 9.828 1.00 31.15 H new ATOM 0 HA TRP B 15 -7.797 24.323 8.482 1.00 24.33 H new ATOM 0 HB2 TRP B 15 -8.970 24.669 11.268 1.00 15.11 H new ATOM 0 HB3 TRP B 15 -8.064 23.285 10.689 1.00 15.11 H new ATOM 0 HD1 TRP B 15 -5.835 25.332 9.163 1.00 74.41 H new ATOM 0 HE1 TRP B 15 -3.982 26.354 10.652 1.00 61.22 H new ATOM 0 HE3 TRP B 15 -8.093 24.712 13.706 1.00 71.45 H new ATOM 0 HZ2 TRP B 15 -3.585 26.820 13.396 1.00 51.42 H new ATOM 0 HZ3 TRP B 15 -6.911 25.474 15.726 1.00 40.43 H new ATOM 0 HH2 TRP B 15 -4.687 26.517 15.572 1.00 22.31 H new ATOM 1257 N LYS B 16 -10.981 24.684 9.238 1.00 3.02 N ATOM 1258 CA LYS B 16 -12.317 24.165 8.970 1.00 33.41 C ATOM 1259 C LYS B 16 -12.561 24.039 7.470 1.00 51.55 C ATOM 1260 O LYS B 16 -13.368 23.221 7.028 1.00 70.13 O ATOM 1261 CB LYS B 16 -13.376 25.074 9.597 1.00 10.42 C ATOM 1262 CG LYS B 16 -13.468 24.949 11.108 1.00 70.20 C ATOM 1263 CD LYS B 16 -13.742 26.292 11.764 1.00 63.04 C ATOM 1264 CE LYS B 16 -15.193 26.712 11.590 1.00 75.44 C ATOM 1265 NZ LYS B 16 -16.028 26.316 12.758 1.00 42.54 N ATOM 0 H LYS B 16 -10.966 25.554 9.771 1.00 3.02 H new ATOM 0 HA LYS B 16 -12.390 23.173 9.416 1.00 33.41 H new ATOM 0 HB2 LYS B 16 -13.153 26.109 9.340 1.00 10.42 H new ATOM 0 HB3 LYS B 16 -14.347 24.840 9.162 1.00 10.42 H new ATOM 0 HG2 LYS B 16 -14.261 24.248 11.368 1.00 70.20 H new ATOM 0 HG3 LYS B 16 -12.537 24.536 11.497 1.00 70.20 H new ATOM 0 HD2 LYS B 16 -13.504 26.235 12.826 1.00 63.04 H new ATOM 0 HD3 LYS B 16 -13.089 27.049 11.331 1.00 63.04 H new ATOM 0 HE2 LYS B 16 -15.245 27.792 11.456 1.00 75.44 H new ATOM 0 HE3 LYS B 16 -15.596 26.259 10.685 1.00 75.44 H new ATOM 0 HZ1 LYS B 16 -17.010 26.620 12.601 1.00 42.54 H new ATOM 0 HZ2 LYS B 16 -15.999 25.283 12.871 1.00 42.54 H new ATOM 0 HZ3 LYS B 16 -15.659 26.769 13.618 1.00 42.54 H new ATOM 1279 N LYS B 17 -11.860 24.856 6.691 1.00 63.11 N ATOM 1280 CA LYS B 17 -11.999 24.837 5.239 1.00 14.02 C ATOM 1281 C LYS B 17 -11.683 23.452 4.681 1.00 40.31 C ATOM 1282 O LYS B 17 -12.468 22.884 3.921 1.00 53.50 O ATOM 1283 CB LYS B 17 -11.074 25.877 4.604 1.00 53.01 C ATOM 1284 CG LYS B 17 -11.517 26.319 3.220 1.00 63.34 C ATOM 1285 CD LYS B 17 -10.588 25.788 2.141 1.00 3.23 C ATOM 1286 CE LYS B 17 -9.438 26.747 1.874 1.00 72.01 C ATOM 1287 NZ LYS B 17 -9.857 27.889 1.015 1.00 51.12 N ATOM 0 H LYS B 17 -11.189 25.540 7.041 1.00 63.11 H new ATOM 0 HA LYS B 17 -13.033 25.082 4.994 1.00 14.02 H new ATOM 0 HB2 LYS B 17 -11.020 26.749 5.255 1.00 53.01 H new ATOM 0 HB3 LYS B 17 -10.067 25.465 4.540 1.00 53.01 H new ATOM 0 HG2 LYS B 17 -12.532 25.968 3.033 1.00 63.34 H new ATOM 0 HG3 LYS B 17 -11.543 27.408 3.176 1.00 63.34 H new ATOM 0 HD2 LYS B 17 -10.192 24.819 2.445 1.00 3.23 H new ATOM 0 HD3 LYS B 17 -11.151 25.628 1.221 1.00 3.23 H new ATOM 0 HE2 LYS B 17 -9.054 27.126 2.821 1.00 72.01 H new ATOM 0 HE3 LYS B 17 -8.622 26.210 1.391 1.00 72.01 H new ATOM 0 HZ1 LYS B 17 -9.046 28.520 0.856 1.00 51.12 H new ATOM 0 HZ2 LYS B 17 -10.200 27.529 0.102 1.00 51.12 H new ATOM 0 HZ3 LYS B 17 -10.619 28.417 1.487 1.00 51.12 H new ATOM 1301 N LEU B 18 -10.530 22.914 5.065 1.00 71.22 N ATOM 1302 CA LEU B 18 -10.111 21.595 4.604 1.00 22.40 C ATOM 1303 C LEU B 18 -10.883 20.495 5.326 1.00 13.30 C ATOM 1304 O LEU B 18 -11.124 19.425 4.770 1.00 70.20 O ATOM 1305 CB LEU B 18 -8.609 21.410 4.825 1.00 35.31 C ATOM 1306 CG LEU B 18 -7.704 21.813 3.661 1.00 21.30 C ATOM 1307 CD1 LEU B 18 -6.457 22.515 4.173 1.00 12.51 C ATOM 1308 CD2 LEU B 18 -7.329 20.595 2.830 1.00 40.13 C ATOM 0 H LEU B 18 -9.869 23.371 5.694 1.00 71.22 H new ATOM 0 HA LEU B 18 -10.327 21.524 3.538 1.00 22.40 H new ATOM 0 HB2 LEU B 18 -8.317 21.988 5.702 1.00 35.31 H new ATOM 0 HB3 LEU B 18 -8.423 20.361 5.057 1.00 35.31 H new ATOM 0 HG LEU B 18 -8.252 22.508 3.024 1.00 21.30 H new ATOM 0 HD11 LEU B 18 -5.825 22.794 3.330 1.00 12.51 H new ATOM 0 HD12 LEU B 18 -6.744 23.411 4.724 1.00 12.51 H new ATOM 0 HD13 LEU B 18 -5.907 21.844 4.833 1.00 12.51 H new ATOM 0 HD21 LEU B 18 -6.685 20.901 2.006 1.00 40.13 H new ATOM 0 HD22 LEU B 18 -6.801 19.876 3.456 1.00 40.13 H new ATOM 0 HD23 LEU B 18 -8.233 20.134 2.432 1.00 40.13 H new ATOM 1320 N ALA B 19 -11.270 20.769 6.568 1.00 60.34 N ATOM 1321 CA ALA B 19 -12.019 19.804 7.364 1.00 60.02 C ATOM 1322 C ALA B 19 -13.317 19.408 6.669 1.00 22.00 C ATOM 1323 O ALA B 19 -13.648 18.226 6.583 1.00 64.24 O ATOM 1324 CB ALA B 19 -12.310 20.373 8.745 1.00 64.22 C ATOM 0 H ALA B 19 -11.077 21.650 7.044 1.00 60.34 H new ATOM 0 HA ALA B 19 -11.408 18.908 7.473 1.00 60.02 H new ATOM 0 HB1 ALA B 19 -12.870 19.642 9.329 1.00 64.22 H new ATOM 0 HB2 ALA B 19 -11.371 20.599 9.251 1.00 64.22 H new ATOM 0 HB3 ALA B 19 -12.898 21.286 8.646 1.00 64.22 H new ATOM 1330 N GLU B 20 -14.047 20.404 6.175 1.00 32.43 N ATOM 1331 CA GLU B 20 -15.309 20.156 5.489 1.00 64.22 C ATOM 1332 C GLU B 20 -15.092 19.311 4.236 1.00 13.34 C ATOM 1333 O GLU B 20 -15.918 18.466 3.896 1.00 75.32 O ATOM 1334 CB GLU B 20 -15.979 21.480 5.115 1.00 23.41 C ATOM 1335 CG GLU B 20 -16.735 22.127 6.263 1.00 21.43 C ATOM 1336 CD GLU B 20 -17.922 22.945 5.794 1.00 63.40 C ATOM 1337 OE1 GLU B 20 -18.857 22.353 5.214 1.00 22.44 O ATOM 1338 OE2 GLU B 20 -17.917 24.175 6.006 1.00 4.25 O ATOM 0 H GLU B 20 -13.786 21.388 6.237 1.00 32.43 H new ATOM 0 HA GLU B 20 -15.960 19.606 6.168 1.00 64.22 H new ATOM 0 HB2 GLU B 20 -15.218 22.173 4.756 1.00 23.41 H new ATOM 0 HB3 GLU B 20 -16.669 21.307 4.289 1.00 23.41 H new ATOM 0 HG2 GLU B 20 -17.080 21.352 6.948 1.00 21.43 H new ATOM 0 HG3 GLU B 20 -16.056 22.769 6.824 1.00 21.43 H new ATOM 1345 N GLU B 21 -13.974 19.548 3.557 1.00 41.24 N ATOM 1346 CA GLU B 21 -13.649 18.810 2.342 1.00 71.22 C ATOM 1347 C GLU B 21 -13.369 17.343 2.655 1.00 2.25 C ATOM 1348 O GLU B 21 -13.626 16.463 1.836 1.00 32.43 O ATOM 1349 CB GLU B 21 -12.437 19.435 1.648 1.00 61.33 C ATOM 1350 CG GLU B 21 -12.700 20.829 1.105 1.00 5.22 C ATOM 1351 CD GLU B 21 -12.676 20.879 -0.411 1.00 4.44 C ATOM 1352 OE1 GLU B 21 -11.669 21.358 -0.972 1.00 4.13 O ATOM 1353 OE2 GLU B 21 -13.664 20.440 -1.035 1.00 35.01 O ATOM 0 H GLU B 21 -13.279 20.244 3.827 1.00 41.24 H new ATOM 0 HA GLU B 21 -14.509 18.863 1.674 1.00 71.22 H new ATOM 0 HB2 GLU B 21 -11.607 19.479 2.354 1.00 61.33 H new ATOM 0 HB3 GLU B 21 -12.124 18.788 0.829 1.00 61.33 H new ATOM 0 HG2 GLU B 21 -13.670 21.176 1.461 1.00 5.22 H new ATOM 0 HG3 GLU B 21 -11.951 21.516 1.499 1.00 5.22 H new ATOM 1360 N ALA B 22 -12.840 17.089 3.848 1.00 5.50 N ATOM 1361 CA ALA B 22 -12.525 15.730 4.270 1.00 13.41 C ATOM 1362 C ALA B 22 -13.787 14.975 4.673 1.00 33.11 C ATOM 1363 O ALA B 22 -13.868 13.756 4.521 1.00 3.31 O ATOM 1364 CB ALA B 22 -11.531 15.753 5.422 1.00 33.41 C ATOM 0 H ALA B 22 -12.621 17.807 4.539 1.00 5.50 H new ATOM 0 HA ALA B 22 -12.074 15.208 3.426 1.00 13.41 H new ATOM 0 HB1 ALA B 22 -11.304 14.732 5.727 1.00 33.41 H new ATOM 0 HB2 ALA B 22 -10.614 16.248 5.102 1.00 33.41 H new ATOM 0 HB3 ALA B 22 -11.962 16.296 6.263 1.00 33.41 H new ATOM 1370 N ALA B 23 -14.770 15.706 5.188 1.00 2.33 N ATOM 1371 CA ALA B 23 -16.028 15.105 5.612 1.00 62.12 C ATOM 1372 C ALA B 23 -16.878 14.706 4.410 1.00 23.41 C ATOM 1373 O ALA B 23 -17.565 13.685 4.433 1.00 50.54 O ATOM 1374 CB ALA B 23 -16.796 16.066 6.508 1.00 74.31 C ATOM 0 H ALA B 23 -14.719 16.716 5.322 1.00 2.33 H new ATOM 0 HA ALA B 23 -15.799 14.202 6.178 1.00 62.12 H new ATOM 0 HB1 ALA B 23 -17.734 15.604 6.817 1.00 74.31 H new ATOM 0 HB2 ALA B 23 -16.198 16.299 7.389 1.00 74.31 H new ATOM 0 HB3 ALA B 23 -17.007 16.984 5.960 1.00 74.31 H new ATOM 1380 N LYS B 24 -16.827 15.519 3.359 1.00 32.42 N ATOM 1381 CA LYS B 24 -17.591 15.250 2.147 1.00 63.23 C ATOM 1382 C LYS B 24 -16.970 14.105 1.354 1.00 4.44 C ATOM 1383 O LYS B 24 -17.670 13.354 0.675 1.00 33.12 O ATOM 1384 CB LYS B 24 -17.663 16.508 1.277 1.00 22.44 C ATOM 1385 CG LYS B 24 -16.301 17.058 0.890 1.00 63.51 C ATOM 1386 CD LYS B 24 -16.428 18.295 0.016 1.00 72.33 C ATOM 1387 CE LYS B 24 -16.938 17.945 -1.374 1.00 65.11 C ATOM 1388 NZ LYS B 24 -15.922 18.229 -2.426 1.00 14.01 N ATOM 0 H LYS B 24 -16.265 16.369 3.323 1.00 32.42 H new ATOM 0 HA LYS B 24 -18.600 14.959 2.440 1.00 63.23 H new ATOM 0 HB2 LYS B 24 -18.225 16.281 0.371 1.00 22.44 H new ATOM 0 HB3 LYS B 24 -18.218 17.278 1.812 1.00 22.44 H new ATOM 0 HG2 LYS B 24 -15.737 17.303 1.790 1.00 63.51 H new ATOM 0 HG3 LYS B 24 -15.736 16.292 0.359 1.00 63.51 H new ATOM 0 HD2 LYS B 24 -17.108 19.006 0.486 1.00 72.33 H new ATOM 0 HD3 LYS B 24 -15.458 18.786 -0.064 1.00 72.33 H new ATOM 0 HE2 LYS B 24 -17.209 16.890 -1.406 1.00 65.11 H new ATOM 0 HE3 LYS B 24 -17.845 18.513 -1.582 1.00 65.11 H new ATOM 0 HZ1 LYS B 24 -16.308 17.977 -3.358 1.00 14.01 H new ATOM 0 HZ2 LYS B 24 -15.682 19.241 -2.413 1.00 14.01 H new ATOM 0 HZ3 LYS B 24 -15.066 17.668 -2.242 1.00 14.01 H new ATOM 1402 N LEU B 25 -15.650 13.977 1.444 1.00 10.12 N ATOM 1403 CA LEU B 25 -14.933 12.922 0.736 1.00 60.50 C ATOM 1404 C LEU B 25 -15.211 11.559 1.364 1.00 2.32 C ATOM 1405 O LEU B 25 -15.402 10.567 0.661 1.00 64.54 O ATOM 1406 CB LEU B 25 -13.429 13.204 0.746 1.00 73.35 C ATOM 1407 CG LEU B 25 -12.775 13.399 -0.623 1.00 13.34 C ATOM 1408 CD1 LEU B 25 -12.892 12.132 -1.455 1.00 4.02 C ATOM 1409 CD2 LEU B 25 -13.403 14.578 -1.351 1.00 4.22 C ATOM 0 H LEU B 25 -15.055 14.591 2.000 1.00 10.12 H new ATOM 0 HA LEU B 25 -15.286 12.906 -0.295 1.00 60.50 H new ATOM 0 HB2 LEU B 25 -13.251 14.099 1.343 1.00 73.35 H new ATOM 0 HB3 LEU B 25 -12.928 12.379 1.252 1.00 73.35 H new ATOM 0 HG LEU B 25 -11.717 13.613 -0.472 1.00 13.34 H new ATOM 0 HD11 LEU B 25 -12.421 12.289 -2.425 1.00 4.02 H new ATOM 0 HD12 LEU B 25 -12.394 11.311 -0.939 1.00 4.02 H new ATOM 0 HD13 LEU B 25 -13.944 11.886 -1.598 1.00 4.02 H new ATOM 0 HD21 LEU B 25 -12.925 14.702 -2.323 1.00 4.22 H new ATOM 0 HD22 LEU B 25 -14.468 14.394 -1.491 1.00 4.22 H new ATOM 0 HD23 LEU B 25 -13.266 15.484 -0.761 1.00 4.22 H new ATOM 1421 N LEU B 26 -15.232 11.519 2.692 1.00 45.42 N ATOM 1422 CA LEU B 26 -15.488 10.279 3.416 1.00 64.44 C ATOM 1423 C LEU B 26 -16.973 9.928 3.386 1.00 23.01 C ATOM 1424 O LEU B 26 -17.347 8.764 3.522 1.00 50.24 O ATOM 1425 CB LEU B 26 -15.011 10.402 4.863 1.00 21.13 C ATOM 1426 CG LEU B 26 -15.610 11.552 5.672 1.00 51.33 C ATOM 1427 CD1 LEU B 26 -16.970 11.162 6.229 1.00 31.50 C ATOM 1428 CD2 LEU B 26 -14.670 11.961 6.797 1.00 21.44 C ATOM 0 H LEU B 26 -15.075 12.331 3.289 1.00 45.42 H new ATOM 0 HA LEU B 26 -14.934 9.479 2.925 1.00 64.44 H new ATOM 0 HB2 LEU B 26 -15.233 9.468 5.378 1.00 21.13 H new ATOM 0 HB3 LEU B 26 -13.927 10.514 4.859 1.00 21.13 H new ATOM 0 HG LEU B 26 -15.743 12.406 5.007 1.00 51.33 H new ATOM 0 HD11 LEU B 26 -17.381 11.993 6.802 1.00 31.50 H new ATOM 0 HD12 LEU B 26 -17.644 10.920 5.407 1.00 31.50 H new ATOM 0 HD13 LEU B 26 -16.862 10.293 6.878 1.00 31.50 H new ATOM 0 HD21 LEU B 26 -15.114 12.781 7.362 1.00 21.44 H new ATOM 0 HD22 LEU B 26 -14.505 11.112 7.460 1.00 21.44 H new ATOM 0 HD23 LEU B 26 -13.718 12.284 6.376 1.00 21.44 H new ATOM 1440 N GLU B 27 -17.812 10.943 3.204 1.00 34.53 N ATOM 1441 CA GLU B 27 -19.255 10.740 3.154 1.00 12.41 C ATOM 1442 C GLU B 27 -19.701 10.337 1.752 1.00 65.40 C ATOM 1443 O GLU B 27 -20.723 9.675 1.579 1.00 53.12 O ATOM 1444 CB GLU B 27 -19.986 12.012 3.589 1.00 21.30 C ATOM 1445 CG GLU B 27 -20.244 12.085 5.084 1.00 51.34 C ATOM 1446 CD GLU B 27 -21.723 12.135 5.419 1.00 31.42 C ATOM 1447 OE1 GLU B 27 -22.394 11.089 5.297 1.00 22.23 O ATOM 1448 OE2 GLU B 27 -22.209 13.219 5.803 1.00 44.31 O ATOM 0 H GLU B 27 -17.518 11.913 3.089 1.00 34.53 H new ATOM 0 HA GLU B 27 -19.506 9.932 3.841 1.00 12.41 H new ATOM 0 HB2 GLU B 27 -19.399 12.879 3.287 1.00 21.30 H new ATOM 0 HB3 GLU B 27 -20.938 12.072 3.061 1.00 21.30 H new ATOM 0 HG2 GLU B 27 -19.794 11.219 5.569 1.00 51.34 H new ATOM 0 HG3 GLU B 27 -19.753 12.969 5.491 1.00 51.34 H new ATOM 1455 N GLY B 28 -18.925 10.744 0.751 1.00 13.32 N ATOM 1456 CA GLY B 28 -19.255 10.417 -0.623 1.00 42.02 C ATOM 1457 C GLY B 28 -19.173 11.621 -1.541 1.00 51.40 C ATOM 1458 O GLY B 28 -18.166 11.827 -2.218 1.00 31.14 O ATOM 0 H GLY B 28 -18.074 11.294 0.868 1.00 13.32 H new ATOM 0 HA2 GLY B 28 -18.577 9.643 -0.982 1.00 42.02 H new ATOM 0 HA3 GLY B 28 -20.262 10.002 -0.663 1.00 42.02 H new ATOM 1504 N GLY B 35 -22.391 7.923 9.667 1.00 52.45 N ATOM 1505 CA GLY B 35 -21.061 7.346 9.598 1.00 71.11 C ATOM 1506 C GLY B 35 -20.103 7.978 10.588 1.00 23.54 C ATOM 1507 O GLY B 35 -20.139 9.187 10.810 1.00 40.42 O ATOM 0 HA2 GLY B 35 -21.123 6.275 9.790 1.00 71.11 H new ATOM 0 HA3 GLY B 35 -20.668 7.467 8.589 1.00 71.11 H new ATOM 1511 N GLU B 36 -19.244 7.157 11.184 1.00 71.52 N ATOM 1512 CA GLU B 36 -18.274 7.643 12.158 1.00 24.42 C ATOM 1513 C GLU B 36 -17.246 8.554 11.493 1.00 54.45 C ATOM 1514 O GLU B 36 -16.749 9.499 12.106 1.00 11.42 O ATOM 1515 CB GLU B 36 -17.566 6.468 12.836 1.00 54.14 C ATOM 1516 CG GLU B 36 -16.402 6.886 13.717 1.00 0.53 C ATOM 1517 CD GLU B 36 -15.729 5.707 14.393 1.00 53.21 C ATOM 1518 OE1 GLU B 36 -16.414 4.987 15.151 1.00 64.33 O ATOM 1519 OE2 GLU B 36 -14.518 5.504 14.166 1.00 15.00 O ATOM 0 H GLU B 36 -19.200 6.153 11.009 1.00 71.52 H new ATOM 0 HA GLU B 36 -18.811 8.218 12.912 1.00 24.42 H new ATOM 0 HB2 GLU B 36 -18.289 5.919 13.439 1.00 54.14 H new ATOM 0 HB3 GLU B 36 -17.203 5.782 12.070 1.00 54.14 H new ATOM 0 HG2 GLU B 36 -15.669 7.421 13.114 1.00 0.53 H new ATOM 0 HG3 GLU B 36 -16.758 7.581 14.477 1.00 0.53 H new ATOM 1526 N LEU B 37 -16.932 8.264 10.235 1.00 73.13 N ATOM 1527 CA LEU B 37 -15.964 9.056 9.486 1.00 64.14 C ATOM 1528 C LEU B 37 -16.322 10.539 9.530 1.00 73.21 C ATOM 1529 O LEU B 37 -15.443 11.400 9.534 1.00 0.25 O ATOM 1530 CB LEU B 37 -15.899 8.578 8.034 1.00 43.34 C ATOM 1531 CG LEU B 37 -15.042 7.340 7.772 1.00 14.53 C ATOM 1532 CD1 LEU B 37 -13.603 7.586 8.201 1.00 40.42 C ATOM 1533 CD2 LEU B 37 -15.615 6.132 8.497 1.00 73.15 C ATOM 0 H LEU B 37 -17.334 7.486 9.713 1.00 73.13 H new ATOM 0 HA LEU B 37 -14.987 8.924 9.950 1.00 64.14 H new ATOM 0 HB2 LEU B 37 -16.914 8.371 7.695 1.00 43.34 H new ATOM 0 HB3 LEU B 37 -15.519 9.395 7.420 1.00 43.34 H new ATOM 0 HG LEU B 37 -15.051 7.136 6.701 1.00 14.53 H new ATOM 0 HD11 LEU B 37 -13.008 6.694 8.007 1.00 40.42 H new ATOM 0 HD12 LEU B 37 -13.194 8.425 7.638 1.00 40.42 H new ATOM 0 HD13 LEU B 37 -13.575 7.816 9.266 1.00 40.42 H new ATOM 0 HD21 LEU B 37 -14.992 5.260 8.299 1.00 73.15 H new ATOM 0 HD22 LEU B 37 -15.636 6.327 9.569 1.00 73.15 H new ATOM 0 HD23 LEU B 37 -16.628 5.942 8.143 1.00 73.15 H new ATOM 1545 N MET B 38 -17.619 10.828 9.564 1.00 41.02 N ATOM 1546 CA MET B 38 -18.093 12.207 9.612 1.00 25.55 C ATOM 1547 C MET B 38 -17.927 12.790 11.011 1.00 75.33 C ATOM 1548 O MET B 38 -17.688 13.987 11.172 1.00 72.20 O ATOM 1549 CB MET B 38 -19.561 12.278 9.187 1.00 23.15 C ATOM 1550 CG MET B 38 -20.193 13.641 9.414 1.00 42.14 C ATOM 1551 SD MET B 38 -21.927 13.694 8.923 1.00 75.23 S ATOM 1552 CE MET B 38 -22.010 15.303 8.142 1.00 21.42 C ATOM 0 H MET B 38 -18.360 10.127 9.559 1.00 41.02 H new ATOM 0 HA MET B 38 -17.493 12.797 8.919 1.00 25.55 H new ATOM 0 HB2 MET B 38 -19.638 12.022 8.130 1.00 23.15 H new ATOM 0 HB3 MET B 38 -20.127 11.527 9.738 1.00 23.15 H new ATOM 0 HG2 MET B 38 -20.110 13.904 10.468 1.00 42.14 H new ATOM 0 HG3 MET B 38 -19.638 14.393 8.853 1.00 42.14 H new ATOM 0 HE1 MET B 38 -23.024 15.482 7.785 1.00 21.42 H new ATOM 0 HE2 MET B 38 -21.738 16.073 8.865 1.00 21.42 H new ATOM 0 HE3 MET B 38 -21.318 15.335 7.300 1.00 21.42 H new ATOM 1562 N LYS B 39 -18.057 11.938 12.023 1.00 62.43 N ATOM 1563 CA LYS B 39 -17.920 12.368 13.409 1.00 54.11 C ATOM 1564 C LYS B 39 -16.454 12.567 13.775 1.00 21.41 C ATOM 1565 O LYS B 39 -16.119 13.416 14.602 1.00 40.42 O ATOM 1566 CB LYS B 39 -18.557 11.341 14.348 1.00 21.01 C ATOM 1567 CG LYS B 39 -19.957 10.923 13.933 1.00 72.40 C ATOM 1568 CD LYS B 39 -20.654 10.137 15.032 1.00 3.43 C ATOM 1569 CE LYS B 39 -21.838 10.904 15.599 1.00 61.11 C ATOM 1570 NZ LYS B 39 -22.671 10.055 16.495 1.00 51.30 N ATOM 0 H LYS B 39 -18.257 10.944 11.908 1.00 62.43 H new ATOM 0 HA LYS B 39 -18.436 13.322 13.520 1.00 54.11 H new ATOM 0 HB2 LYS B 39 -17.921 10.457 14.391 1.00 21.01 H new ATOM 0 HB3 LYS B 39 -18.594 11.756 15.355 1.00 21.01 H new ATOM 0 HG2 LYS B 39 -20.545 11.808 13.689 1.00 72.40 H new ATOM 0 HG3 LYS B 39 -19.904 10.317 13.029 1.00 72.40 H new ATOM 0 HD2 LYS B 39 -20.994 9.180 14.637 1.00 3.43 H new ATOM 0 HD3 LYS B 39 -19.945 9.918 15.830 1.00 3.43 H new ATOM 0 HE2 LYS B 39 -21.478 11.771 16.152 1.00 61.11 H new ATOM 0 HE3 LYS B 39 -22.452 11.280 14.781 1.00 61.11 H new ATOM 0 HZ1 LYS B 39 -23.468 10.614 16.861 1.00 51.30 H new ATOM 0 HZ2 LYS B 39 -23.036 9.241 15.961 1.00 51.30 H new ATOM 0 HZ3 LYS B 39 -22.092 9.716 17.290 1.00 51.30 H new ATOM 1584 N LEU B 40 -15.582 11.780 13.154 1.00 4.14 N ATOM 1585 CA LEU B 40 -14.149 11.871 13.415 1.00 63.34 C ATOM 1586 C LEU B 40 -13.580 13.180 12.876 1.00 45.35 C ATOM 1587 O LEU B 40 -12.688 13.776 13.480 1.00 1.42 O ATOM 1588 CB LEU B 40 -13.419 10.686 12.780 1.00 64.21 C ATOM 1589 CG LEU B 40 -12.847 9.652 13.751 1.00 44.20 C ATOM 1590 CD1 LEU B 40 -11.835 10.300 14.684 1.00 41.24 C ATOM 1591 CD2 LEU B 40 -13.964 8.994 14.547 1.00 74.41 C ATOM 0 H LEU B 40 -15.842 11.072 12.467 1.00 4.14 H new ATOM 0 HA LEU B 40 -13.999 11.847 14.494 1.00 63.34 H new ATOM 0 HB2 LEU B 40 -14.109 10.179 12.106 1.00 64.21 H new ATOM 0 HB3 LEU B 40 -12.603 11.072 12.170 1.00 64.21 H new ATOM 0 HG LEU B 40 -12.337 8.881 13.173 1.00 44.20 H new ATOM 0 HD11 LEU B 40 -11.438 9.550 15.368 1.00 41.24 H new ATOM 0 HD12 LEU B 40 -11.020 10.724 14.098 1.00 41.24 H new ATOM 0 HD13 LEU B 40 -12.321 11.091 15.255 1.00 41.24 H new ATOM 0 HD21 LEU B 40 -13.539 8.261 15.233 1.00 74.41 H new ATOM 0 HD22 LEU B 40 -14.502 9.753 15.115 1.00 74.41 H new ATOM 0 HD23 LEU B 40 -14.652 8.496 13.864 1.00 74.41 H new ATOM 1603 N CYS B 41 -14.102 13.623 11.737 1.00 32.33 N ATOM 1604 CA CYS B 41 -13.647 14.862 11.118 1.00 63.54 C ATOM 1605 C CYS B 41 -14.165 16.075 11.885 1.00 23.43 C ATOM 1606 O CYS B 41 -13.415 17.010 12.163 1.00 70.21 O ATOM 1607 CB CYS B 41 -14.110 14.928 9.661 1.00 14.52 C ATOM 1608 SG CYS B 41 -12.979 15.820 8.567 1.00 35.44 S ATOM 0 H CYS B 41 -14.841 13.142 11.224 1.00 32.33 H new ATOM 0 HA CYS B 41 -12.557 14.875 11.146 1.00 63.54 H new ATOM 0 HB2 CYS B 41 -14.237 13.913 9.285 1.00 14.52 H new ATOM 0 HB3 CYS B 41 -15.088 15.407 9.623 1.00 14.52 H new ATOM 0 HG CYS B 41 -11.923 15.094 8.349 1.00 35.44 H new ATOM 1614 N GLU B 42 -15.451 16.051 12.220 1.00 63.24 N ATOM 1615 CA GLU B 42 -16.068 17.151 12.952 1.00 42.33 C ATOM 1616 C GLU B 42 -15.334 17.412 14.264 1.00 5.23 C ATOM 1617 O GLU B 42 -15.194 18.557 14.692 1.00 31.10 O ATOM 1618 CB GLU B 42 -17.541 16.844 13.233 1.00 24.41 C ATOM 1619 CG GLU B 42 -18.359 18.069 13.600 1.00 54.32 C ATOM 1620 CD GLU B 42 -19.588 18.235 12.727 1.00 4.42 C ATOM 1621 OE1 GLU B 42 -20.631 17.632 13.051 1.00 34.20 O ATOM 1622 OE2 GLU B 42 -19.504 18.969 11.719 1.00 14.04 O ATOM 0 H GLU B 42 -16.085 15.284 11.997 1.00 63.24 H new ATOM 0 HA GLU B 42 -16.002 18.046 12.334 1.00 42.33 H new ATOM 0 HB2 GLU B 42 -17.980 16.375 12.352 1.00 24.41 H new ATOM 0 HB3 GLU B 42 -17.604 16.119 14.045 1.00 24.41 H new ATOM 0 HG2 GLU B 42 -18.666 17.996 14.643 1.00 54.32 H new ATOM 0 HG3 GLU B 42 -17.734 18.958 13.513 1.00 54.32 H new ATOM 1629 N GLU B 43 -14.866 16.340 14.897 1.00 65.42 N ATOM 1630 CA GLU B 43 -14.146 16.453 16.160 1.00 45.05 C ATOM 1631 C GLU B 43 -12.875 17.281 15.991 1.00 63.32 C ATOM 1632 O GLU B 43 -12.478 18.019 16.892 1.00 32.44 O ATOM 1633 CB GLU B 43 -13.796 15.065 16.698 1.00 14.54 C ATOM 1634 CG GLU B 43 -13.006 15.097 17.995 1.00 14.54 C ATOM 1635 CD GLU B 43 -12.900 13.733 18.649 1.00 61.30 C ATOM 1636 OE1 GLU B 43 -13.925 13.023 18.709 1.00 62.23 O ATOM 1637 OE2 GLU B 43 -11.791 13.374 19.100 1.00 62.24 O ATOM 0 H GLU B 43 -14.973 15.385 14.556 1.00 65.42 H new ATOM 0 HA GLU B 43 -14.795 16.959 16.875 1.00 45.05 H new ATOM 0 HB2 GLU B 43 -14.717 14.503 16.857 1.00 14.54 H new ATOM 0 HB3 GLU B 43 -13.220 14.527 15.945 1.00 14.54 H new ATOM 0 HG2 GLU B 43 -12.005 15.479 17.796 1.00 14.54 H new ATOM 0 HG3 GLU B 43 -13.481 15.792 18.688 1.00 14.54 H new ATOM 1644 N ALA B 44 -12.243 17.151 14.829 1.00 44.44 N ATOM 1645 CA ALA B 44 -11.019 17.888 14.539 1.00 34.11 C ATOM 1646 C ALA B 44 -11.303 19.376 14.357 1.00 30.44 C ATOM 1647 O ALA B 44 -10.602 20.223 14.910 1.00 23.44 O ATOM 1648 CB ALA B 44 -10.342 17.321 13.299 1.00 51.43 C ATOM 0 H ALA B 44 -12.558 16.542 14.074 1.00 44.44 H new ATOM 0 HA ALA B 44 -10.347 17.775 15.390 1.00 34.11 H new ATOM 0 HB1 ALA B 44 -9.429 17.881 13.094 1.00 51.43 H new ATOM 0 HB2 ALA B 44 -10.095 16.273 13.467 1.00 51.43 H new ATOM 0 HB3 ALA B 44 -11.017 17.403 12.447 1.00 51.43 H new ATOM 1654 N ALA B 45 -12.334 19.685 13.578 1.00 33.14 N ATOM 1655 CA ALA B 45 -12.710 21.070 13.324 1.00 60.42 C ATOM 1656 C ALA B 45 -13.310 21.713 14.569 1.00 10.21 C ATOM 1657 O ALA B 45 -13.271 22.933 14.732 1.00 5.13 O ATOM 1658 CB ALA B 45 -13.691 21.146 12.164 1.00 0.00 C ATOM 0 H ALA B 45 -12.924 18.995 13.112 1.00 33.14 H new ATOM 0 HA ALA B 45 -11.808 21.623 13.060 1.00 60.42 H new ATOM 0 HB1 ALA B 45 -13.963 22.186 11.985 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -13.228 20.733 11.268 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -14.586 20.573 12.406 1.00 0.00 H new ATOM 1664 N LYS B 46 -13.866 20.885 15.447 1.00 53.03 N ATOM 1665 CA LYS B 46 -14.475 21.373 16.680 1.00 30.42 C ATOM 1666 C LYS B 46 -13.436 22.041 17.573 1.00 2.52 C ATOM 1667 O LYS B 46 -13.725 23.028 18.249 1.00 64.35 O ATOM 1668 CB LYS B 46 -15.144 20.219 17.433 1.00 4.41 C ATOM 1669 CG LYS B 46 -16.168 20.675 18.458 1.00 62.13 C ATOM 1670 CD LYS B 46 -16.838 19.495 19.140 1.00 64.42 C ATOM 1671 CE LYS B 46 -17.195 19.815 20.583 1.00 74.11 C ATOM 1672 NZ LYS B 46 -16.155 19.330 21.533 1.00 43.45 N ATOM 0 H LYS B 46 -13.908 19.873 15.328 1.00 53.03 H new ATOM 0 HA LYS B 46 -15.230 22.113 16.415 1.00 30.42 H new ATOM 0 HB2 LYS B 46 -15.631 19.560 16.714 1.00 4.41 H new ATOM 0 HB3 LYS B 46 -14.376 19.630 17.935 1.00 4.41 H new ATOM 0 HG2 LYS B 46 -15.681 21.301 19.206 1.00 62.13 H new ATOM 0 HG3 LYS B 46 -16.923 21.291 17.970 1.00 62.13 H new ATOM 0 HD2 LYS B 46 -17.740 19.221 18.593 1.00 64.42 H new ATOM 0 HD3 LYS B 46 -16.174 18.631 19.111 1.00 64.42 H new ATOM 0 HE2 LYS B 46 -17.317 20.892 20.697 1.00 74.11 H new ATOM 0 HE3 LYS B 46 -18.153 19.358 20.830 1.00 74.11 H new ATOM 0 HZ1 LYS B 46 -16.436 19.568 22.506 1.00 43.45 H new ATOM 0 HZ2 LYS B 46 -16.057 18.299 21.443 1.00 43.45 H new ATOM 0 HZ3 LYS B 46 -15.246 19.785 21.314 1.00 43.45 H new ATOM 1686 N LYS B 47 -12.223 21.498 17.570 1.00 5.33 N ATOM 1687 CA LYS B 47 -11.138 22.043 18.377 1.00 41.41 C ATOM 1688 C LYS B 47 -10.915 23.520 18.063 1.00 35.53 C ATOM 1689 O LYS B 47 -10.662 24.323 18.961 1.00 45.24 O ATOM 1690 CB LYS B 47 -9.847 21.259 18.131 1.00 11.24 C ATOM 1691 CG LYS B 47 -9.136 20.843 19.407 1.00 54.20 C ATOM 1692 CD LYS B 47 -9.142 19.333 19.584 1.00 41.43 C ATOM 1693 CE LYS B 47 -10.510 18.830 20.019 1.00 30.01 C ATOM 1694 NZ LYS B 47 -10.876 17.560 19.333 1.00 74.15 N ATOM 0 H LYS B 47 -11.967 20.680 17.017 1.00 5.33 H new ATOM 0 HA LYS B 47 -11.418 21.950 19.426 1.00 41.41 H new ATOM 0 HB2 LYS B 47 -10.078 20.368 17.547 1.00 11.24 H new ATOM 0 HB3 LYS B 47 -9.171 21.867 17.530 1.00 11.24 H new ATOM 0 HG2 LYS B 47 -8.107 21.203 19.385 1.00 54.20 H new ATOM 0 HG3 LYS B 47 -9.620 21.312 20.264 1.00 54.20 H new ATOM 0 HD2 LYS B 47 -8.858 18.854 18.647 1.00 41.43 H new ATOM 0 HD3 LYS B 47 -8.396 19.049 20.326 1.00 41.43 H new ATOM 0 HE2 LYS B 47 -10.514 18.675 21.098 1.00 30.01 H new ATOM 0 HE3 LYS B 47 -11.262 19.589 19.804 1.00 30.01 H new ATOM 0 HZ1 LYS B 47 -11.435 16.966 19.978 1.00 74.15 H new ATOM 0 HZ2 LYS B 47 -11.438 17.773 18.484 1.00 74.15 H new ATOM 0 HZ3 LYS B 47 -10.011 17.053 19.057 1.00 74.15 H new ATOM 1708 N ALA B 48 -11.012 23.869 16.785 1.00 43.13 N ATOM 1709 CA ALA B 48 -10.824 25.249 16.354 1.00 43.13 C ATOM 1710 C ALA B 48 -11.895 26.160 16.947 1.00 4.04 C ATOM 1711 O ALA B 48 -11.625 27.312 17.283 1.00 3.14 O ATOM 1712 CB ALA B 48 -10.839 25.334 14.834 1.00 14.03 C ATOM 0 H ALA B 48 -11.220 23.216 16.030 1.00 43.13 H new ATOM 0 HA ALA B 48 -9.854 25.588 16.717 1.00 43.13 H new ATOM 0 HB1 ALA B 48 -10.698 26.370 14.526 1.00 14.03 H new ATOM 0 HB2 ALA B 48 -10.034 24.722 14.427 1.00 14.03 H new ATOM 0 HB3 ALA B 48 -11.796 24.971 14.459 1.00 14.03 H new ATOM 1718 N GLU B 49 -13.109 25.634 17.070 1.00 51.51 N ATOM 1719 CA GLU B 49 -14.220 26.402 17.621 1.00 12.32 C ATOM 1720 C GLU B 49 -14.041 26.619 19.122 1.00 43.00 C ATOM 1721 O GLU B 49 -14.439 27.650 19.661 1.00 51.24 O ATOM 1722 CB GLU B 49 -15.547 25.687 17.354 1.00 2.14 C ATOM 1723 CG GLU B 49 -16.640 26.606 16.838 1.00 51.32 C ATOM 1724 CD GLU B 49 -17.946 26.437 17.590 1.00 50.11 C ATOM 1725 OE1 GLU B 49 -18.516 27.459 18.026 1.00 50.21 O ATOM 1726 OE2 GLU B 49 -18.398 25.283 17.743 1.00 52.24 O ATOM 0 H GLU B 49 -13.349 24.681 16.796 1.00 51.51 H new ATOM 0 HA GLU B 49 -14.234 27.375 17.129 1.00 12.32 H new ATOM 0 HB2 GLU B 49 -15.381 24.890 16.629 1.00 2.14 H new ATOM 0 HB3 GLU B 49 -15.887 25.214 18.275 1.00 2.14 H new ATOM 0 HG2 GLU B 49 -16.309 27.641 16.921 1.00 51.32 H new ATOM 0 HG3 GLU B 49 -16.806 26.408 15.779 1.00 51.32 H new ATOM 1733 N GLU B 50 -13.439 25.638 19.787 1.00 15.40 N ATOM 1734 CA GLU B 50 -13.208 25.721 21.225 1.00 44.42 C ATOM 1735 C GLU B 50 -11.968 26.557 21.529 1.00 41.41 C ATOM 1736 O GLU B 50 -11.886 27.211 22.569 1.00 14.43 O ATOM 1737 CB GLU B 50 -13.052 24.321 21.821 1.00 52.11 C ATOM 1738 CG GLU B 50 -12.707 24.324 23.300 1.00 52.12 C ATOM 1739 CD GLU B 50 -12.934 22.976 23.955 1.00 72.22 C ATOM 1740 OE1 GLU B 50 -12.220 22.663 24.931 1.00 0.23 O ATOM 1741 OE2 GLU B 50 -13.825 22.233 23.493 1.00 43.55 O ATOM 0 H GLU B 50 -13.103 24.778 19.354 1.00 15.40 H new ATOM 0 HA GLU B 50 -14.072 26.206 21.679 1.00 44.42 H new ATOM 0 HB2 GLU B 50 -13.979 23.767 21.674 1.00 52.11 H new ATOM 0 HB3 GLU B 50 -12.273 23.788 21.276 1.00 52.11 H new ATOM 0 HG2 GLU B 50 -11.664 24.613 23.425 1.00 52.12 H new ATOM 0 HG3 GLU B 50 -13.310 25.077 23.808 1.00 52.12 H new ATOM 1748 N LEU B 51 -11.005 26.530 20.614 1.00 1.44 N ATOM 1749 CA LEU B 51 -9.768 27.285 20.784 1.00 32.35 C ATOM 1750 C LEU B 51 -9.998 28.771 20.535 1.00 12.13 C ATOM 1751 O LEU B 51 -9.317 29.621 21.112 1.00 34.10 O ATOM 1752 CB LEU B 51 -8.692 26.757 19.833 1.00 23.43 C ATOM 1753 CG LEU B 51 -7.523 26.018 20.485 1.00 21.33 C ATOM 1754 CD1 LEU B 51 -6.681 26.975 21.314 1.00 51.14 C ATOM 1755 CD2 LEU B 51 -8.032 24.870 21.346 1.00 21.15 C ATOM 0 H LEU B 51 -11.057 25.994 19.748 1.00 1.44 H new ATOM 0 HA LEU B 51 -9.431 27.157 21.813 1.00 32.35 H new ATOM 0 HB2 LEU B 51 -9.166 26.086 19.117 1.00 23.43 H new ATOM 0 HB3 LEU B 51 -8.293 27.598 19.265 1.00 23.43 H new ATOM 0 HG LEU B 51 -6.895 25.604 19.696 1.00 21.33 H new ATOM 0 HD11 LEU B 51 -5.854 26.431 21.770 1.00 51.14 H new ATOM 0 HD12 LEU B 51 -6.287 27.763 20.672 1.00 51.14 H new ATOM 0 HD13 LEU B 51 -7.298 27.419 22.095 1.00 51.14 H new ATOM 0 HD21 LEU B 51 -7.187 24.355 21.802 1.00 21.15 H new ATOM 0 HD22 LEU B 51 -8.683 25.262 22.127 1.00 21.15 H new ATOM 0 HD23 LEU B 51 -8.591 24.170 20.725 1.00 21.15 H new ATOM 1767 N PHE B 52 -10.963 29.080 19.675 1.00 10.54 N ATOM 1768 CA PHE B 52 -11.284 30.465 19.352 1.00 73.51 C ATOM 1769 C PHE B 52 -11.598 31.260 20.615 1.00 33.04 C ATOM 1770 O PHE B 52 -11.306 32.453 20.701 1.00 52.12 O ATOM 1771 CB PHE B 52 -12.473 30.524 18.390 1.00 24.44 C ATOM 1772 CG PHE B 52 -12.269 31.470 17.241 1.00 32.44 C ATOM 1773 CD1 PHE B 52 -12.178 32.835 17.458 1.00 52.11 C ATOM 1774 CD2 PHE B 52 -12.167 30.993 15.944 1.00 11.03 C ATOM 1775 CE1 PHE B 52 -11.990 33.708 16.404 1.00 1.21 C ATOM 1776 CE2 PHE B 52 -11.978 31.861 14.885 1.00 52.04 C ATOM 1777 CZ PHE B 52 -11.891 33.220 15.116 1.00 62.21 C ATOM 0 H PHE B 52 -11.536 28.390 19.189 1.00 10.54 H new ATOM 0 HA PHE B 52 -10.413 30.911 18.871 1.00 73.51 H new ATOM 0 HB2 PHE B 52 -12.663 29.525 17.998 1.00 24.44 H new ATOM 0 HB3 PHE B 52 -13.363 30.824 18.943 1.00 24.44 H new ATOM 0 HD1 PHE B 52 -12.255 33.222 18.464 1.00 52.11 H new ATOM 0 HD2 PHE B 52 -12.236 29.931 15.759 1.00 11.03 H new ATOM 0 HE1 PHE B 52 -11.921 34.770 16.587 1.00 1.21 H new ATOM 0 HE2 PHE B 52 -11.898 31.477 13.879 1.00 52.04 H new ATOM 0 HZ PHE B 52 -11.746 33.900 14.290 1.00 62.21 H new ATOM 1787 N LYS B 53 -12.195 30.590 21.596 1.00 44.22 N ATOM 1788 CA LYS B 53 -12.549 31.232 22.856 1.00 54.20 C ATOM 1789 C LYS B 53 -11.307 31.763 23.564 1.00 70.21 C ATOM 1790 O LYS B 53 -11.252 32.931 23.950 1.00 13.43 O ATOM 1791 CB LYS B 53 -13.285 30.245 23.765 1.00 42.20 C ATOM 1792 CG LYS B 53 -13.950 30.901 24.962 1.00 53.23 C ATOM 1793 CD LYS B 53 -14.375 29.873 25.997 1.00 55.33 C ATOM 1794 CE LYS B 53 -15.708 29.235 25.634 1.00 51.21 C ATOM 1795 NZ LYS B 53 -15.639 27.748 25.671 1.00 44.12 N ATOM 0 H LYS B 53 -12.444 29.602 21.542 1.00 44.22 H new ATOM 0 HA LYS B 53 -13.206 32.073 22.635 1.00 54.20 H new ATOM 0 HB2 LYS B 53 -14.042 29.721 23.181 1.00 42.20 H new ATOM 0 HB3 LYS B 53 -12.579 29.494 24.119 1.00 42.20 H new ATOM 0 HG2 LYS B 53 -13.261 31.613 25.417 1.00 53.23 H new ATOM 0 HG3 LYS B 53 -14.821 31.467 24.631 1.00 53.23 H new ATOM 0 HD2 LYS B 53 -13.611 29.100 26.079 1.00 55.33 H new ATOM 0 HD3 LYS B 53 -14.453 30.350 26.974 1.00 55.33 H new ATOM 0 HE2 LYS B 53 -16.476 29.580 26.326 1.00 51.21 H new ATOM 0 HE3 LYS B 53 -16.007 29.560 24.637 1.00 51.21 H new ATOM 0 HZ1 LYS B 53 -16.566 27.351 25.418 1.00 44.12 H new ATOM 0 HZ2 LYS B 53 -14.924 27.417 24.993 1.00 44.12 H new ATOM 0 HZ3 LYS B 53 -15.379 27.436 26.628 1.00 44.12 H new ATOM 1809 N LEU B 54 -10.311 30.899 23.730 1.00 75.45 N ATOM 1810 CA LEU B 54 -9.069 31.282 24.390 1.00 12.05 C ATOM 1811 C LEU B 54 -8.230 32.186 23.492 1.00 73.44 C ATOM 1812 O LEU B 54 -7.553 33.096 23.969 1.00 11.24 O ATOM 1813 CB LEU B 54 -8.265 30.037 24.771 1.00 33.41 C ATOM 1814 CG LEU B 54 -8.866 29.161 25.871 1.00 30.40 C ATOM 1815 CD1 LEU B 54 -9.461 27.893 25.279 1.00 72.04 C ATOM 1816 CD2 LEU B 54 -7.814 28.821 26.917 1.00 4.01 C ATOM 0 H LEU B 54 -10.340 29.929 23.416 1.00 75.45 H new ATOM 0 HA LEU B 54 -9.324 31.834 25.295 1.00 12.05 H new ATOM 0 HB2 LEU B 54 -8.135 29.426 23.878 1.00 33.41 H new ATOM 0 HB3 LEU B 54 -7.271 30.354 25.088 1.00 33.41 H new ATOM 0 HG LEU B 54 -9.666 29.720 26.357 1.00 30.40 H new ATOM 0 HD11 LEU B 54 -9.884 27.283 26.077 1.00 72.04 H new ATOM 0 HD12 LEU B 54 -10.245 28.156 24.569 1.00 72.04 H new ATOM 0 HD13 LEU B 54 -8.681 27.330 24.766 1.00 72.04 H new ATOM 0 HD21 LEU B 54 -8.260 28.197 27.692 1.00 4.01 H new ATOM 0 HD22 LEU B 54 -6.993 28.282 26.445 1.00 4.01 H new ATOM 0 HD23 LEU B 54 -7.435 29.740 27.364 1.00 4.01 H new ATOM 1828 N ALA B 55 -8.283 31.930 22.189 1.00 72.22 N ATOM 1829 CA ALA B 55 -7.532 32.723 21.224 1.00 72.33 C ATOM 1830 C ALA B 55 -7.941 34.191 21.284 1.00 62.44 C ATOM 1831 O ALA B 55 -7.149 35.079 20.970 1.00 30.22 O ATOM 1832 CB ALA B 55 -7.733 32.174 19.819 1.00 33.30 C ATOM 0 H ALA B 55 -8.838 31.180 21.778 1.00 72.22 H new ATOM 0 HA ALA B 55 -6.475 32.656 21.480 1.00 72.33 H new ATOM 0 HB1 ALA B 55 -7.166 32.776 19.109 1.00 33.30 H new ATOM 0 HB2 ALA B 55 -7.385 31.142 19.779 1.00 33.30 H new ATOM 0 HB3 ALA B 55 -8.792 32.210 19.562 1.00 33.30 H new ATOM 1838 N GLU B 56 -9.184 34.438 21.686 1.00 41.22 N ATOM 1839 CA GLU B 56 -9.698 35.799 21.784 1.00 44.42 C ATOM 1840 C GLU B 56 -9.147 36.501 23.023 1.00 23.43 C ATOM 1841 O GLU B 56 -8.886 37.703 23.003 1.00 44.43 O ATOM 1842 CB GLU B 56 -11.227 35.790 21.828 1.00 52.23 C ATOM 1843 CG GLU B 56 -11.876 36.245 20.532 1.00 30.31 C ATOM 1844 CD GLU B 56 -12.019 37.752 20.449 1.00 42.35 C ATOM 1845 OE1 GLU B 56 -12.361 38.256 19.359 1.00 62.32 O ATOM 1846 OE2 GLU B 56 -11.789 38.428 21.474 1.00 24.12 O ATOM 0 H GLU B 56 -9.853 33.714 21.949 1.00 41.22 H new ATOM 0 HA GLU B 56 -9.371 36.347 20.900 1.00 44.42 H new ATOM 0 HB2 GLU B 56 -11.569 34.782 22.061 1.00 52.23 H new ATOM 0 HB3 GLU B 56 -11.563 36.436 22.639 1.00 52.23 H new ATOM 0 HG2 GLU B 56 -11.281 35.893 19.689 1.00 30.31 H new ATOM 0 HG3 GLU B 56 -12.860 35.785 20.442 1.00 30.31 H new ATOM 1853 N GLU B 57 -8.973 35.740 24.098 1.00 75.31 N ATOM 1854 CA GLU B 57 -8.454 36.289 25.346 1.00 55.01 C ATOM 1855 C GLU B 57 -6.959 36.568 25.237 1.00 4.51 C ATOM 1856 O GLU B 57 -6.426 37.432 25.935 1.00 4.22 O ATOM 1857 CB GLU B 57 -8.720 35.323 26.503 1.00 54.35 C ATOM 1858 CG GLU B 57 -9.171 36.013 27.780 1.00 44.22 C ATOM 1859 CD GLU B 57 -8.906 35.179 29.018 1.00 71.11 C ATOM 1860 OE1 GLU B 57 -9.111 33.949 28.959 1.00 21.42 O ATOM 1861 OE2 GLU B 57 -8.494 35.756 30.047 1.00 61.33 O ATOM 0 H GLU B 57 -9.183 34.742 24.131 1.00 75.31 H new ATOM 0 HA GLU B 57 -8.969 37.230 25.541 1.00 55.01 H new ATOM 0 HB2 GLU B 57 -9.482 34.606 26.199 1.00 54.35 H new ATOM 0 HB3 GLU B 57 -7.812 34.756 26.708 1.00 54.35 H new ATOM 0 HG2 GLU B 57 -8.656 36.969 27.873 1.00 44.22 H new ATOM 0 HG3 GLU B 57 -10.237 36.230 27.714 1.00 44.22 H new ATOM 1868 N ARG B 58 -6.287 35.833 24.358 1.00 70.31 N ATOM 1869 CA ARG B 58 -4.853 36.000 24.158 1.00 4.42 C ATOM 1870 C ARG B 58 -4.538 37.391 23.615 1.00 0.12 C ATOM 1871 O ARG B 58 -3.472 37.947 23.881 1.00 25.02 O ATOM 1872 CB ARG B 58 -4.322 34.934 23.198 1.00 12.20 C ATOM 1873 CG ARG B 58 -4.250 33.545 23.810 1.00 42.01 C ATOM 1874 CD ARG B 58 -3.568 32.559 22.875 1.00 33.33 C ATOM 1875 NE ARG B 58 -4.489 31.534 22.393 1.00 70.04 N ATOM 1876 CZ ARG B 58 -4.257 30.783 21.322 1.00 52.04 C ATOM 1877 NH1 ARG B 58 -3.140 30.940 20.627 1.00 43.22 N ATOM 1878 NH2 ARG B 58 -5.145 29.871 20.946 1.00 64.31 N ATOM 0 H ARG B 58 -6.713 35.115 23.772 1.00 70.31 H new ATOM 0 HA ARG B 58 -4.362 35.886 25.124 1.00 4.42 H new ATOM 0 HB2 ARG B 58 -4.962 34.900 22.316 1.00 12.20 H new ATOM 0 HB3 ARG B 58 -3.327 35.225 22.860 1.00 12.20 H new ATOM 0 HG2 ARG B 58 -3.706 33.590 24.753 1.00 42.01 H new ATOM 0 HG3 ARG B 58 -5.256 33.194 24.039 1.00 42.01 H new ATOM 0 HD2 ARG B 58 -3.148 33.097 22.025 1.00 33.33 H new ATOM 0 HD3 ARG B 58 -2.736 32.083 23.394 1.00 33.33 H new ATOM 0 HE ARG B 58 -5.358 31.386 22.906 1.00 70.04 H new ATOM 0 HH11 ARG B 58 -2.455 31.639 20.914 1.00 43.22 H new ATOM 0 HH12 ARG B 58 -2.965 30.362 19.805 1.00 43.22 H new ATOM 0 HH21 ARG B 58 -6.006 29.747 21.479 1.00 64.31 H new ATOM 0 HH22 ARG B 58 -4.967 29.294 20.124 1.00 64.31 H new ATOM 1892 N LEU B 59 -5.473 37.949 22.852 1.00 14.04 N ATOM 1893 CA LEU B 59 -5.296 39.275 22.271 1.00 21.15 C ATOM 1894 C LEU B 59 -6.418 40.213 22.703 1.00 24.44 C ATOM 1895 O LEU B 59 -6.567 41.310 22.164 1.00 20.32 O ATOM 1896 CB LEU B 59 -5.251 39.182 20.745 1.00 71.23 C ATOM 1897 CG LEU B 59 -6.184 38.151 20.108 1.00 64.30 C ATOM 1898 CD1 LEU B 59 -6.970 38.776 18.966 1.00 11.23 C ATOM 1899 CD2 LEU B 59 -5.392 36.947 19.616 1.00 1.43 C ATOM 0 H LEU B 59 -6.361 37.503 22.622 1.00 14.04 H new ATOM 0 HA LEU B 59 -4.351 39.680 22.632 1.00 21.15 H new ATOM 0 HB2 LEU B 59 -5.491 40.163 20.334 1.00 71.23 H new ATOM 0 HB3 LEU B 59 -4.229 38.952 20.445 1.00 71.23 H new ATOM 0 HG LEU B 59 -6.891 37.812 20.866 1.00 64.30 H new ATOM 0 HD11 LEU B 59 -7.628 38.028 18.525 1.00 11.23 H new ATOM 0 HD12 LEU B 59 -7.567 39.605 19.346 1.00 11.23 H new ATOM 0 HD13 LEU B 59 -6.279 39.144 18.207 1.00 11.23 H new ATOM 0 HD21 LEU B 59 -6.072 36.224 19.166 1.00 1.43 H new ATOM 0 HD22 LEU B 59 -4.662 37.270 18.874 1.00 1.43 H new ATOM 0 HD23 LEU B 59 -4.874 36.484 20.456 1.00 1.43 H new