USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=6 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+ 170:sc= 0 (180deg=-0.0712) 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 -159:sc= -0.0538 (180deg=-0.573) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -46:sc= 0.708 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 -114:sc=-0.000435 (180deg=-2.51!) USER MOD Single : B 39 LYS NZ :NH3+ 167:sc= -0.136 (180deg=-0.301) USER MOD Single : B 41 CYS SG : rot 58:sc= 0.734 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 4 -11.433 6.259 -2.120 1.00 65.22 N ATOM 63 CA LEU A 4 -11.790 7.392 -1.274 1.00 24.05 C ATOM 64 C LEU A 4 -11.082 7.309 0.074 1.00 14.33 C ATOM 65 O LEU A 4 -10.836 8.327 0.721 1.00 33.43 O ATOM 66 CB LEU A 4 -13.304 7.442 -1.066 1.00 63.44 C ATOM 67 CG LEU A 4 -13.960 6.143 -0.595 1.00 13.53 C ATOM 68 CD1 LEU A 4 -14.846 6.402 0.614 1.00 50.22 C ATOM 69 CD2 LEU A 4 -14.762 5.511 -1.722 1.00 13.23 C ATOM 0 HA LEU A 4 -11.469 8.304 -1.777 1.00 24.05 H new ATOM 0 HB2 LEU A 4 -13.525 8.222 -0.338 1.00 63.44 H new ATOM 0 HB3 LEU A 4 -13.770 7.741 -2.005 1.00 63.44 H new ATOM 0 HG LEU A 4 -13.175 5.446 -0.302 1.00 13.53 H new ATOM 0 HD11 LEU A 4 -15.305 5.467 0.936 1.00 50.22 H new ATOM 0 HD12 LEU A 4 -14.244 6.809 1.426 1.00 50.22 H new ATOM 0 HD13 LEU A 4 -15.626 7.116 0.348 1.00 50.22 H new ATOM 0 HD21 LEU A 4 -15.221 4.588 -1.368 1.00 13.23 H new ATOM 0 HD22 LEU A 4 -15.540 6.202 -2.047 1.00 13.23 H new ATOM 0 HD23 LEU A 4 -14.100 5.289 -2.559 1.00 13.23 H new ATOM 81 N ARG A 5 -10.755 6.090 0.491 1.00 64.21 N ATOM 82 CA ARG A 5 -10.075 5.874 1.762 1.00 22.11 C ATOM 83 C ARG A 5 -8.725 6.584 1.784 1.00 60.32 C ATOM 84 O ARG A 5 -8.455 7.398 2.666 1.00 30.01 O ATOM 85 CB ARG A 5 -9.879 4.377 2.012 1.00 53.02 C ATOM 86 CG ARG A 5 -11.160 3.652 2.394 1.00 31.41 C ATOM 87 CD ARG A 5 -11.348 3.612 3.903 1.00 23.10 C ATOM 88 NE ARG A 5 -12.553 2.879 4.285 1.00 42.42 N ATOM 89 CZ ARG A 5 -13.779 3.383 4.194 1.00 43.22 C ATOM 90 NH1 ARG A 5 -13.961 4.614 3.735 1.00 44.23 N ATOM 91 NH2 ARG A 5 -14.826 2.656 4.561 1.00 61.21 N ATOM 0 H ARG A 5 -10.950 5.237 -0.033 1.00 64.21 H new ATOM 0 HA ARG A 5 -10.698 6.290 2.554 1.00 22.11 H new ATOM 0 HB2 ARG A 5 -9.465 3.918 1.114 1.00 53.02 H new ATOM 0 HB3 ARG A 5 -9.144 4.243 2.806 1.00 53.02 H new ATOM 0 HG2 ARG A 5 -12.013 4.150 1.933 1.00 31.41 H new ATOM 0 HG3 ARG A 5 -11.135 2.635 2.002 1.00 31.41 H new ATOM 0 HD2 ARG A 5 -10.478 3.145 4.365 1.00 23.10 H new ATOM 0 HD3 ARG A 5 -11.405 4.630 4.288 1.00 23.10 H new ATOM 0 HE ARG A 5 -12.447 1.929 4.641 1.00 42.42 H new ATOM 0 HH11 ARG A 5 -13.159 5.176 3.451 1.00 44.23 H new ATOM 0 HH12 ARG A 5 -14.903 4.999 3.666 1.00 44.23 H new ATOM 0 HH21 ARG A 5 -14.691 1.709 4.914 1.00 61.21 H new ATOM 0 HH22 ARG A 5 -15.767 3.044 4.491 1.00 61.21 H new ATOM 105 N GLU A 6 -7.880 6.270 0.805 1.00 54.23 N ATOM 106 CA GLU A 6 -6.558 6.877 0.714 1.00 12.40 C ATOM 107 C GLU A 6 -6.666 8.387 0.516 1.00 15.03 C ATOM 108 O GLU A 6 -5.871 9.152 1.061 1.00 54.50 O ATOM 109 CB GLU A 6 -5.765 6.256 -0.437 1.00 42.33 C ATOM 110 CG GLU A 6 -4.597 5.401 0.020 1.00 1.05 C ATOM 111 CD GLU A 6 -3.423 5.456 -0.939 1.00 32.23 C ATOM 112 OE1 GLU A 6 -3.286 4.526 -1.762 1.00 54.32 O ATOM 113 OE2 GLU A 6 -2.641 6.427 -0.866 1.00 72.20 O ATOM 0 H GLU A 6 -8.088 5.599 0.065 1.00 54.23 H new ATOM 0 HA GLU A 6 -6.033 6.687 1.650 1.00 12.40 H new ATOM 0 HB2 GLU A 6 -6.436 5.646 -1.042 1.00 42.33 H new ATOM 0 HB3 GLU A 6 -5.391 7.052 -1.081 1.00 42.33 H new ATOM 0 HG2 GLU A 6 -4.272 5.734 1.006 1.00 1.05 H new ATOM 0 HG3 GLU A 6 -4.927 4.368 0.125 1.00 1.05 H new ATOM 120 N GLU A 7 -7.654 8.806 -0.269 1.00 32.33 N ATOM 121 CA GLU A 7 -7.864 10.224 -0.540 1.00 70.53 C ATOM 122 C GLU A 7 -8.126 10.991 0.752 1.00 51.34 C ATOM 123 O GLU A 7 -7.788 12.169 0.867 1.00 43.30 O ATOM 124 CB GLU A 7 -9.035 10.412 -1.506 1.00 51.34 C ATOM 125 CG GLU A 7 -8.632 10.360 -2.970 1.00 40.10 C ATOM 126 CD GLU A 7 -9.680 10.962 -3.885 1.00 50.13 C ATOM 127 OE1 GLU A 7 -10.591 10.220 -4.312 1.00 25.43 O ATOM 128 OE2 GLU A 7 -9.592 12.173 -4.175 1.00 21.12 O ATOM 0 H GLU A 7 -8.321 8.185 -0.728 1.00 32.33 H new ATOM 0 HA GLU A 7 -6.958 10.619 -0.998 1.00 70.53 H new ATOM 0 HB2 GLU A 7 -9.780 9.639 -1.315 1.00 51.34 H new ATOM 0 HB3 GLU A 7 -9.512 11.371 -1.303 1.00 51.34 H new ATOM 0 HG2 GLU A 7 -7.690 10.892 -3.103 1.00 40.10 H new ATOM 0 HG3 GLU A 7 -8.456 9.324 -3.258 1.00 40.10 H new ATOM 135 N ALA A 8 -8.733 10.315 1.723 1.00 1.11 N ATOM 136 CA ALA A 8 -9.040 10.933 3.007 1.00 22.43 C ATOM 137 C ALA A 8 -7.771 11.173 3.818 1.00 4.15 C ATOM 138 O ALA A 8 -7.581 12.248 4.386 1.00 14.42 O ATOM 139 CB ALA A 8 -10.011 10.064 3.791 1.00 54.54 C ATOM 0 H ALA A 8 -9.021 9.340 1.644 1.00 1.11 H new ATOM 0 HA ALA A 8 -9.506 11.899 2.815 1.00 22.43 H new ATOM 0 HB1 ALA A 8 -10.232 10.537 4.748 1.00 54.54 H new ATOM 0 HB2 ALA A 8 -10.934 9.946 3.223 1.00 54.54 H new ATOM 0 HB3 ALA A 8 -9.564 9.085 3.965 1.00 54.54 H new ATOM 145 N ALA A 9 -6.905 10.166 3.867 1.00 2.21 N ATOM 146 CA ALA A 9 -5.654 10.269 4.607 1.00 2.54 C ATOM 147 C ALA A 9 -4.842 11.476 4.147 1.00 54.52 C ATOM 148 O ALA A 9 -4.321 12.235 4.964 1.00 11.03 O ATOM 149 CB ALA A 9 -4.841 8.993 4.450 1.00 13.33 C ATOM 0 H ALA A 9 -7.047 9.269 3.402 1.00 2.21 H new ATOM 0 HA ALA A 9 -5.894 10.406 5.661 1.00 2.54 H new ATOM 0 HB1 ALA A 9 -3.909 9.084 5.008 1.00 13.33 H new ATOM 0 HB2 ALA A 9 -5.413 8.148 4.834 1.00 13.33 H new ATOM 0 HB3 ALA A 9 -4.618 8.831 3.395 1.00 13.33 H new ATOM 155 N LYS A 10 -4.737 11.646 2.833 1.00 51.23 N ATOM 156 CA LYS A 10 -3.989 12.761 2.264 1.00 63.23 C ATOM 157 C LYS A 10 -4.778 14.061 2.378 1.00 14.12 C ATOM 158 O LYS A 10 -4.200 15.139 2.526 1.00 63.33 O ATOM 159 CB LYS A 10 -3.657 12.481 0.796 1.00 64.33 C ATOM 160 CG LYS A 10 -2.450 11.579 0.607 1.00 24.22 C ATOM 161 CD LYS A 10 -2.551 10.775 -0.679 1.00 21.10 C ATOM 162 CE LYS A 10 -1.262 10.846 -1.484 1.00 32.23 C ATOM 163 NZ LYS A 10 -0.403 9.649 -1.261 1.00 42.41 N ATOM 0 H LYS A 10 -5.160 11.026 2.143 1.00 51.23 H new ATOM 0 HA LYS A 10 -3.062 12.869 2.827 1.00 63.23 H new ATOM 0 HB2 LYS A 10 -4.522 12.021 0.318 1.00 64.33 H new ATOM 0 HB3 LYS A 10 -3.476 13.427 0.286 1.00 64.33 H new ATOM 0 HG2 LYS A 10 -1.543 12.183 0.590 1.00 24.22 H new ATOM 0 HG3 LYS A 10 -2.365 10.900 1.456 1.00 24.22 H new ATOM 0 HD2 LYS A 10 -2.777 9.735 -0.442 1.00 21.10 H new ATOM 0 HD3 LYS A 10 -3.378 11.152 -1.281 1.00 21.10 H new ATOM 0 HE2 LYS A 10 -1.500 10.930 -2.544 1.00 32.23 H new ATOM 0 HE3 LYS A 10 -0.711 11.745 -1.209 1.00 32.23 H new ATOM 0 HZ1 LYS A 10 0.466 9.735 -1.827 1.00 42.41 H new ATOM 0 HZ2 LYS A 10 -0.155 9.583 -0.253 1.00 42.41 H new ATOM 0 HZ3 LYS A 10 -0.919 8.793 -1.547 1.00 42.41 H new ATOM 177 N LEU A 11 -6.101 13.954 2.311 1.00 21.41 N ATOM 178 CA LEU A 11 -6.969 15.122 2.409 1.00 74.24 C ATOM 179 C LEU A 11 -6.655 15.930 3.664 1.00 32.32 C ATOM 180 O LEU A 11 -6.775 17.155 3.672 1.00 73.53 O ATOM 181 CB LEU A 11 -8.436 14.690 2.421 1.00 44.03 C ATOM 182 CG LEU A 11 -9.462 15.805 2.628 1.00 75.13 C ATOM 183 CD1 LEU A 11 -9.230 16.936 1.638 1.00 64.42 C ATOM 184 CD2 LEU A 11 -10.877 15.260 2.497 1.00 0.44 C ATOM 0 H LEU A 11 -6.596 13.070 2.189 1.00 21.41 H new ATOM 0 HA LEU A 11 -6.789 15.753 1.539 1.00 74.24 H new ATOM 0 HB2 LEU A 11 -8.655 14.193 1.476 1.00 44.03 H new ATOM 0 HB3 LEU A 11 -8.570 13.950 3.210 1.00 44.03 H new ATOM 0 HG LEU A 11 -9.339 16.202 3.636 1.00 75.13 H new ATOM 0 HD11 LEU A 11 -9.970 17.720 1.801 1.00 64.42 H new ATOM 0 HD12 LEU A 11 -8.230 17.345 1.781 1.00 64.42 H new ATOM 0 HD13 LEU A 11 -9.324 16.554 0.621 1.00 64.42 H new ATOM 0 HD21 LEU A 11 -11.593 16.068 2.647 1.00 0.44 H new ATOM 0 HD22 LEU A 11 -11.013 14.835 1.502 1.00 0.44 H new ATOM 0 HD23 LEU A 11 -11.040 14.486 3.247 1.00 0.44 H new ATOM 196 N PHE A 12 -6.249 15.236 4.722 1.00 40.11 N ATOM 197 CA PHE A 12 -5.916 15.889 5.983 1.00 54.34 C ATOM 198 C PHE A 12 -4.819 16.929 5.783 1.00 43.41 C ATOM 199 O PHE A 12 -4.730 17.903 6.530 1.00 4.24 O ATOM 200 CB PHE A 12 -5.470 14.852 7.017 1.00 42.54 C ATOM 201 CG PHE A 12 -6.606 14.258 7.799 1.00 4.54 C ATOM 202 CD1 PHE A 12 -7.736 13.784 7.153 1.00 33.22 C ATOM 203 CD2 PHE A 12 -6.544 14.176 9.181 1.00 13.12 C ATOM 204 CE1 PHE A 12 -8.783 13.236 7.870 1.00 12.14 C ATOM 205 CE2 PHE A 12 -7.588 13.629 9.903 1.00 22.12 C ATOM 206 CZ PHE A 12 -8.709 13.160 9.247 1.00 75.41 C ATOM 0 H PHE A 12 -6.143 14.222 4.731 1.00 40.11 H new ATOM 0 HA PHE A 12 -6.810 16.395 6.349 1.00 54.34 H new ATOM 0 HB2 PHE A 12 -4.932 14.052 6.509 1.00 42.54 H new ATOM 0 HB3 PHE A 12 -4.768 15.319 7.708 1.00 42.54 H new ATOM 0 HD1 PHE A 12 -7.800 13.843 6.077 1.00 33.22 H new ATOM 0 HD2 PHE A 12 -5.671 14.543 9.699 1.00 13.12 H new ATOM 0 HE1 PHE A 12 -9.658 12.868 7.354 1.00 12.14 H new ATOM 0 HE2 PHE A 12 -7.527 13.568 10.980 1.00 22.12 H new ATOM 0 HZ PHE A 12 -9.527 12.734 9.810 1.00 75.41 H new ATOM 216 N GLU A 13 -3.985 16.715 4.770 1.00 65.13 N ATOM 217 CA GLU A 13 -2.893 17.634 4.472 1.00 74.12 C ATOM 218 C GLU A 13 -3.429 18.993 4.030 1.00 34.31 C ATOM 219 O GLU A 13 -2.807 20.025 4.272 1.00 12.33 O ATOM 220 CB GLU A 13 -1.990 17.050 3.383 1.00 4.52 C ATOM 221 CG GLU A 13 -0.581 17.619 3.393 1.00 20.25 C ATOM 222 CD GLU A 13 0.418 16.717 2.693 1.00 55.03 C ATOM 223 OE1 GLU A 13 1.378 16.270 3.355 1.00 75.14 O ATOM 224 OE2 GLU A 13 0.239 16.458 1.485 1.00 31.30 O ATOM 0 H GLU A 13 -4.045 15.913 4.142 1.00 65.13 H new ATOM 0 HA GLU A 13 -2.310 17.773 5.382 1.00 74.12 H new ATOM 0 HB2 GLU A 13 -1.937 15.968 3.508 1.00 4.52 H new ATOM 0 HB3 GLU A 13 -2.442 17.237 2.409 1.00 4.52 H new ATOM 0 HG2 GLU A 13 -0.584 18.596 2.909 1.00 20.25 H new ATOM 0 HG3 GLU A 13 -0.264 17.775 4.424 1.00 20.25 H new ATOM 231 N GLU A 14 -4.589 18.981 3.379 1.00 30.03 N ATOM 232 CA GLU A 14 -5.208 20.212 2.902 1.00 40.11 C ATOM 233 C GLU A 14 -5.319 21.237 4.027 1.00 62.02 C ATOM 234 O GLU A 14 -4.960 22.402 3.858 1.00 23.43 O ATOM 235 CB GLU A 14 -6.595 19.921 2.324 1.00 30.14 C ATOM 236 CG GLU A 14 -6.558 19.163 1.007 1.00 2.52 C ATOM 237 CD GLU A 14 -7.834 19.329 0.204 1.00 73.31 C ATOM 238 OE1 GLU A 14 -8.140 18.434 -0.612 1.00 53.14 O ATOM 239 OE2 GLU A 14 -8.526 20.351 0.392 1.00 73.10 O ATOM 0 H GLU A 14 -5.118 18.134 3.171 1.00 30.03 H new ATOM 0 HA GLU A 14 -4.575 20.626 2.118 1.00 40.11 H new ATOM 0 HB2 GLU A 14 -7.168 19.344 3.050 1.00 30.14 H new ATOM 0 HB3 GLU A 14 -7.123 20.863 2.177 1.00 30.14 H new ATOM 0 HG2 GLU A 14 -5.712 19.512 0.415 1.00 2.52 H new ATOM 0 HG3 GLU A 14 -6.393 18.104 1.206 1.00 2.52 H new ATOM 246 N TRP A 15 -5.818 20.794 5.175 1.00 52.14 N ATOM 247 CA TRP A 15 -5.978 21.672 6.329 1.00 2.12 C ATOM 248 C TRP A 15 -4.654 22.334 6.695 1.00 50.41 C ATOM 249 O TRP A 15 -4.603 23.535 6.966 1.00 71.21 O ATOM 250 CB TRP A 15 -6.517 20.885 7.524 1.00 0.40 C ATOM 251 CG TRP A 15 -7.726 20.062 7.197 1.00 65.03 C ATOM 252 CD1 TRP A 15 -8.651 20.315 6.225 1.00 61.43 C ATOM 253 CD2 TRP A 15 -8.140 18.854 7.843 1.00 32.03 C ATOM 254 NE1 TRP A 15 -9.616 19.337 6.228 1.00 12.01 N ATOM 255 CE2 TRP A 15 -9.325 18.428 7.211 1.00 14.54 C ATOM 256 CE3 TRP A 15 -7.624 18.089 8.893 1.00 61.54 C ATOM 257 CZ2 TRP A 15 -10.001 17.273 7.597 1.00 22.44 C ATOM 258 CZ3 TRP A 15 -8.296 16.943 9.275 1.00 44.11 C ATOM 259 CH2 TRP A 15 -9.473 16.543 8.628 1.00 41.52 C ATOM 0 H TRP A 15 -6.119 19.832 5.332 1.00 52.14 H new ATOM 0 HA TRP A 15 -6.693 22.452 6.066 1.00 2.12 H new ATOM 0 HB2 TRP A 15 -5.732 20.230 7.902 1.00 0.40 H new ATOM 0 HB3 TRP A 15 -6.766 21.581 8.326 1.00 0.40 H new ATOM 0 HD1 TRP A 15 -8.628 21.160 5.553 1.00 61.43 H new ATOM 0 HE1 TRP A 15 -10.419 19.295 5.600 1.00 12.01 H new ATOM 0 HE3 TRP A 15 -6.717 18.388 9.397 1.00 61.54 H new ATOM 0 HZ2 TRP A 15 -10.909 16.964 7.101 1.00 22.44 H new ATOM 0 HZ3 TRP A 15 -7.907 16.345 10.086 1.00 44.11 H new ATOM 0 HH2 TRP A 15 -9.973 15.641 8.949 1.00 41.52 H new ATOM 270 N LYS A 16 -3.585 21.546 6.701 1.00 12.52 N ATOM 271 CA LYS A 16 -2.260 22.056 7.033 1.00 43.20 C ATOM 272 C LYS A 16 -1.922 23.283 6.192 1.00 61.25 C ATOM 273 O LYS A 16 -1.211 24.181 6.643 1.00 61.11 O ATOM 274 CB LYS A 16 -1.204 20.970 6.817 1.00 44.13 C ATOM 275 CG LYS A 16 0.081 21.208 7.590 1.00 23.14 C ATOM 276 CD LYS A 16 0.195 20.275 8.784 1.00 64.10 C ATOM 277 CE LYS A 16 1.648 19.964 9.111 1.00 22.40 C ATOM 278 NZ LYS A 16 2.438 21.202 9.357 1.00 44.30 N ATOM 0 H LYS A 16 -3.610 20.551 6.480 1.00 12.52 H new ATOM 0 HA LYS A 16 -2.263 22.347 8.083 1.00 43.20 H new ATOM 0 HB2 LYS A 16 -1.621 20.006 7.110 1.00 44.13 H new ATOM 0 HB3 LYS A 16 -0.972 20.907 5.754 1.00 44.13 H new ATOM 0 HG2 LYS A 16 0.936 21.062 6.930 1.00 23.14 H new ATOM 0 HG3 LYS A 16 0.115 22.243 7.931 1.00 23.14 H new ATOM 0 HD2 LYS A 16 -0.285 20.731 9.650 1.00 64.10 H new ATOM 0 HD3 LYS A 16 -0.339 19.348 8.575 1.00 64.10 H new ATOM 0 HE2 LYS A 16 1.693 19.323 9.992 1.00 22.40 H new ATOM 0 HE3 LYS A 16 2.094 19.406 8.288 1.00 22.40 H new ATOM 0 HZ1 LYS A 16 3.371 20.948 9.739 1.00 44.30 H new ATOM 0 HZ2 LYS A 16 2.559 21.720 8.463 1.00 44.30 H new ATOM 0 HZ3 LYS A 16 1.936 21.804 10.040 1.00 44.30 H new ATOM 292 N LYS A 17 -2.438 23.315 4.968 1.00 42.32 N ATOM 293 CA LYS A 17 -2.195 24.433 4.064 1.00 22.32 C ATOM 294 C LYS A 17 -2.572 25.757 4.721 1.00 15.23 C ATOM 295 O LYS A 17 -1.791 26.710 4.715 1.00 20.15 O ATOM 296 CB LYS A 17 -2.990 24.251 2.769 1.00 21.41 C ATOM 297 CG LYS A 17 -2.574 25.203 1.660 1.00 13.30 C ATOM 298 CD LYS A 17 -3.761 25.620 0.809 1.00 75.54 C ATOM 299 CE LYS A 17 -3.340 25.936 -0.617 1.00 4.04 C ATOM 300 NZ LYS A 17 -4.512 26.068 -1.526 1.00 72.20 N ATOM 0 H LYS A 17 -3.027 22.579 4.579 1.00 42.32 H new ATOM 0 HA LYS A 17 -1.130 24.453 3.831 1.00 22.32 H new ATOM 0 HB2 LYS A 17 -2.870 23.225 2.420 1.00 21.41 H new ATOM 0 HB3 LYS A 17 -4.050 24.394 2.980 1.00 21.41 H new ATOM 0 HG2 LYS A 17 -2.108 26.087 2.094 1.00 13.30 H new ATOM 0 HG3 LYS A 17 -1.824 24.724 1.030 1.00 13.30 H new ATOM 0 HD2 LYS A 17 -4.503 24.822 0.802 1.00 75.54 H new ATOM 0 HD3 LYS A 17 -4.238 26.495 1.251 1.00 75.54 H new ATOM 0 HE2 LYS A 17 -2.765 26.862 -0.629 1.00 4.04 H new ATOM 0 HE3 LYS A 17 -2.683 25.148 -0.984 1.00 4.04 H new ATOM 0 HZ1 LYS A 17 -4.182 26.283 -2.489 1.00 72.20 H new ATOM 0 HZ2 LYS A 17 -5.047 25.176 -1.535 1.00 72.20 H new ATOM 0 HZ3 LYS A 17 -5.127 26.837 -1.190 1.00 72.20 H new ATOM 314 N LEU A 18 -3.771 25.810 5.290 1.00 30.12 N ATOM 315 CA LEU A 18 -4.250 27.017 5.954 1.00 42.23 C ATOM 316 C LEU A 18 -3.580 27.195 7.312 1.00 75.55 C ATOM 317 O LEU A 18 -3.343 28.317 7.757 1.00 42.14 O ATOM 318 CB LEU A 18 -5.770 26.960 6.125 1.00 24.45 C ATOM 319 CG LEU A 18 -6.581 26.730 4.849 1.00 11.42 C ATOM 320 CD1 LEU A 18 -8.029 26.409 5.188 1.00 5.33 C ATOM 321 CD2 LEU A 18 -6.500 27.948 3.940 1.00 61.54 C ATOM 0 H LEU A 18 -4.429 25.031 5.305 1.00 30.12 H new ATOM 0 HA LEU A 18 -3.993 27.872 5.329 1.00 42.23 H new ATOM 0 HB2 LEU A 18 -6.007 26.163 6.830 1.00 24.45 H new ATOM 0 HB3 LEU A 18 -6.100 27.895 6.578 1.00 24.45 H new ATOM 0 HG LEU A 18 -6.157 25.877 4.319 1.00 11.42 H new ATOM 0 HD11 LEU A 18 -8.591 26.248 4.268 1.00 5.33 H new ATOM 0 HD12 LEU A 18 -8.068 25.507 5.799 1.00 5.33 H new ATOM 0 HD13 LEU A 18 -8.467 27.241 5.740 1.00 5.33 H new ATOM 0 HD21 LEU A 18 -7.083 27.767 3.037 1.00 61.54 H new ATOM 0 HD22 LEU A 18 -6.899 28.818 4.461 1.00 61.54 H new ATOM 0 HD23 LEU A 18 -5.460 28.132 3.670 1.00 61.54 H new ATOM 333 N ALA A 19 -3.276 26.077 7.966 1.00 1.21 N ATOM 334 CA ALA A 19 -2.629 26.110 9.272 1.00 61.11 C ATOM 335 C ALA A 19 -1.245 26.743 9.184 1.00 43.14 C ATOM 336 O ALA A 19 -0.864 27.542 10.039 1.00 42.13 O ATOM 337 CB ALA A 19 -2.533 24.704 9.847 1.00 22.24 C ATOM 0 H ALA A 19 -3.467 25.139 7.613 1.00 1.21 H new ATOM 0 HA ALA A 19 -3.238 26.723 9.937 1.00 61.11 H new ATOM 0 HB1 ALA A 19 -2.048 24.742 10.822 1.00 22.24 H new ATOM 0 HB2 ALA A 19 -3.534 24.286 9.956 1.00 22.24 H new ATOM 0 HB3 ALA A 19 -1.948 24.075 9.175 1.00 22.24 H new ATOM 343 N GLU A 20 -0.499 26.381 8.146 1.00 2.34 N ATOM 344 CA GLU A 20 0.844 26.915 7.948 1.00 32.22 C ATOM 345 C GLU A 20 0.796 28.409 7.642 1.00 22.30 C ATOM 346 O GLU A 20 1.642 29.174 8.103 1.00 3.11 O ATOM 347 CB GLU A 20 1.550 26.172 6.812 1.00 70.31 C ATOM 348 CG GLU A 20 3.063 26.150 6.946 1.00 14.34 C ATOM 349 CD GLU A 20 3.625 24.742 6.988 1.00 1.22 C ATOM 350 OE1 GLU A 20 3.331 24.014 7.960 1.00 42.32 O ATOM 351 OE2 GLU A 20 4.358 24.368 6.050 1.00 23.34 O ATOM 0 H GLU A 20 -0.801 25.721 7.429 1.00 2.34 H new ATOM 0 HA GLU A 20 1.405 26.769 8.871 1.00 32.22 H new ATOM 0 HB2 GLU A 20 1.182 25.147 6.776 1.00 70.31 H new ATOM 0 HB3 GLU A 20 1.285 26.639 5.864 1.00 70.31 H new ATOM 0 HG2 GLU A 20 3.506 26.689 6.109 1.00 14.34 H new ATOM 0 HG3 GLU A 20 3.351 26.679 7.854 1.00 14.34 H new ATOM 358 N GLU A 21 -0.199 28.815 6.859 1.00 33.43 N ATOM 359 CA GLU A 21 -0.356 30.216 6.489 1.00 15.10 C ATOM 360 C GLU A 21 -0.750 31.057 7.701 1.00 2.02 C ATOM 361 O GLU A 21 -0.403 32.234 7.792 1.00 5.34 O ATOM 362 CB GLU A 21 -1.409 30.362 5.390 1.00 41.14 C ATOM 363 CG GLU A 21 -0.825 30.388 3.987 1.00 14.43 C ATOM 364 CD GLU A 21 -1.410 31.496 3.132 1.00 31.20 C ATOM 365 OE1 GLU A 21 -2.323 31.206 2.330 1.00 60.02 O ATOM 366 OE2 GLU A 21 -0.956 32.651 3.265 1.00 65.42 O ATOM 0 H GLU A 21 -0.908 28.194 6.469 1.00 33.43 H new ATOM 0 HA GLU A 21 0.602 30.576 6.113 1.00 15.10 H new ATOM 0 HB2 GLU A 21 -2.117 29.536 5.465 1.00 41.14 H new ATOM 0 HB3 GLU A 21 -1.972 31.280 5.557 1.00 41.14 H new ATOM 0 HG2 GLU A 21 0.256 30.515 4.050 1.00 14.43 H new ATOM 0 HG3 GLU A 21 -1.006 29.428 3.504 1.00 14.43 H new ATOM 373 N ALA A 22 -1.478 30.444 8.628 1.00 21.21 N ATOM 374 CA ALA A 22 -1.918 31.135 9.834 1.00 41.13 C ATOM 375 C ALA A 22 -0.738 31.448 10.749 1.00 64.14 C ATOM 376 O ALA A 22 -0.740 32.455 11.455 1.00 51.30 O ATOM 377 CB ALA A 22 -2.954 30.299 10.572 1.00 0.21 C ATOM 0 H ALA A 22 -1.776 29.470 8.567 1.00 21.21 H new ATOM 0 HA ALA A 22 -2.374 32.080 9.537 1.00 41.13 H new ATOM 0 HB1 ALA A 22 -3.274 30.826 11.471 1.00 0.21 H new ATOM 0 HB2 ALA A 22 -3.814 30.131 9.924 1.00 0.21 H new ATOM 0 HB3 ALA A 22 -2.517 29.340 10.851 1.00 0.21 H new ATOM 383 N ALA A 23 0.265 30.578 10.731 1.00 22.34 N ATOM 384 CA ALA A 23 1.451 30.763 11.557 1.00 10.55 C ATOM 385 C ALA A 23 2.360 31.844 10.981 1.00 21.31 C ATOM 386 O ALA A 23 3.037 32.561 11.719 1.00 32.41 O ATOM 387 CB ALA A 23 2.210 29.452 11.694 1.00 34.21 C ATOM 0 H ALA A 23 0.280 29.738 10.153 1.00 22.34 H new ATOM 0 HA ALA A 23 1.126 31.087 12.546 1.00 10.55 H new ATOM 0 HB1 ALA A 23 3.093 29.606 12.314 1.00 34.21 H new ATOM 0 HB2 ALA A 23 1.566 28.706 12.159 1.00 34.21 H new ATOM 0 HB3 ALA A 23 2.515 29.103 10.707 1.00 34.21 H new ATOM 393 N LYS A 24 2.371 31.956 9.656 1.00 54.12 N ATOM 394 CA LYS A 24 3.195 32.950 8.980 1.00 21.45 C ATOM 395 C LYS A 24 2.609 34.348 9.146 1.00 11.12 C ATOM 396 O LYS A 24 3.341 35.338 9.189 1.00 13.44 O ATOM 397 CB LYS A 24 3.320 32.612 7.492 1.00 32.53 C ATOM 398 CG LYS A 24 4.050 31.307 7.225 1.00 23.44 C ATOM 399 CD LYS A 24 3.817 30.818 5.805 1.00 1.12 C ATOM 400 CE LYS A 24 4.748 31.505 4.818 1.00 4.33 C ATOM 401 NZ LYS A 24 4.310 31.304 3.409 1.00 20.20 N ATOM 0 H LYS A 24 1.818 31.370 9.030 1.00 54.12 H new ATOM 0 HA LYS A 24 4.185 32.934 9.435 1.00 21.45 H new ATOM 0 HB2 LYS A 24 2.323 32.557 7.055 1.00 32.53 H new ATOM 0 HB3 LYS A 24 3.845 33.423 6.987 1.00 32.53 H new ATOM 0 HG2 LYS A 24 5.118 31.446 7.392 1.00 23.44 H new ATOM 0 HG3 LYS A 24 3.712 30.549 7.932 1.00 23.44 H new ATOM 0 HD2 LYS A 24 3.970 29.740 5.761 1.00 1.12 H new ATOM 0 HD3 LYS A 24 2.782 31.005 5.520 1.00 1.12 H new ATOM 0 HE2 LYS A 24 4.786 32.572 5.038 1.00 4.33 H new ATOM 0 HE3 LYS A 24 5.759 31.117 4.943 1.00 4.33 H new ATOM 0 HZ1 LYS A 24 4.971 31.788 2.768 1.00 20.20 H new ATOM 0 HZ2 LYS A 24 4.298 30.287 3.191 1.00 20.20 H new ATOM 0 HZ3 LYS A 24 3.355 31.697 3.283 1.00 20.20 H new ATOM 415 N LEU A 25 1.287 34.423 9.240 1.00 62.22 N ATOM 416 CA LEU A 25 0.602 35.700 9.403 1.00 13.51 C ATOM 417 C LEU A 25 0.765 36.227 10.825 1.00 1.52 C ATOM 418 O LEU A 25 0.820 37.438 11.047 1.00 54.40 O ATOM 419 CB LEU A 25 -0.884 35.552 9.070 1.00 43.30 C ATOM 420 CG LEU A 25 -1.410 36.439 7.941 1.00 32.32 C ATOM 421 CD1 LEU A 25 -1.210 37.909 8.279 1.00 34.54 C ATOM 422 CD2 LEU A 25 -0.725 36.093 6.627 1.00 72.10 C ATOM 0 H LEU A 25 0.667 33.614 9.206 1.00 62.22 H new ATOM 0 HA LEU A 25 1.052 36.415 8.715 1.00 13.51 H new ATOM 0 HB2 LEU A 25 -1.075 34.512 8.807 1.00 43.30 H new ATOM 0 HB3 LEU A 25 -1.461 35.764 9.970 1.00 43.30 H new ATOM 0 HG LEU A 25 -2.479 36.256 7.829 1.00 32.32 H new ATOM 0 HD11 LEU A 25 -1.590 38.525 7.464 1.00 34.54 H new ATOM 0 HD12 LEU A 25 -1.748 38.148 9.196 1.00 34.54 H new ATOM 0 HD13 LEU A 25 -0.148 38.109 8.419 1.00 34.54 H new ATOM 0 HD21 LEU A 25 -1.112 36.734 5.835 1.00 72.10 H new ATOM 0 HD22 LEU A 25 0.350 36.246 6.726 1.00 72.10 H new ATOM 0 HD23 LEU A 25 -0.921 35.050 6.378 1.00 72.10 H new ATOM 434 N LEU A 26 0.845 35.313 11.785 1.00 31.41 N ATOM 435 CA LEU A 26 1.005 35.684 13.186 1.00 11.24 C ATOM 436 C LEU A 26 2.440 36.117 13.474 1.00 54.42 C ATOM 437 O LEU A 26 2.676 37.023 14.273 1.00 71.13 O ATOM 438 CB LEU A 26 0.622 34.513 14.092 1.00 72.11 C ATOM 439 CG LEU A 26 -0.707 34.648 14.837 1.00 21.53 C ATOM 440 CD1 LEU A 26 -1.091 33.327 15.484 1.00 34.31 C ATOM 441 CD2 LEU A 26 -0.623 35.752 15.881 1.00 73.44 C ATOM 0 H LEU A 26 0.802 34.308 11.618 1.00 31.41 H new ATOM 0 HA LEU A 26 0.343 36.525 13.391 1.00 11.24 H new ATOM 0 HB2 LEU A 26 0.586 33.608 13.486 1.00 72.11 H new ATOM 0 HB3 LEU A 26 1.415 34.373 14.827 1.00 72.11 H new ATOM 0 HG LEU A 26 -1.481 34.915 14.117 1.00 21.53 H new ATOM 0 HD11 LEU A 26 -2.039 33.441 16.010 1.00 34.31 H new ATOM 0 HD12 LEU A 26 -1.193 32.561 14.715 1.00 34.31 H new ATOM 0 HD13 LEU A 26 -0.317 33.030 16.192 1.00 34.31 H new ATOM 0 HD21 LEU A 26 -1.577 35.834 16.401 1.00 73.44 H new ATOM 0 HD22 LEU A 26 0.162 35.515 16.599 1.00 73.44 H new ATOM 0 HD23 LEU A 26 -0.394 36.699 15.392 1.00 73.44 H new ATOM 453 N GLU A 27 3.392 35.464 12.816 1.00 1.24 N ATOM 454 CA GLU A 27 4.804 35.783 13.002 1.00 41.24 C ATOM 455 C GLU A 27 5.228 36.927 12.086 1.00 51.41 C ATOM 456 O GLU A 27 6.170 37.659 12.384 1.00 15.13 O ATOM 457 CB GLU A 27 5.668 34.550 12.729 1.00 4.33 C ATOM 458 CG GLU A 27 5.684 34.129 11.269 1.00 12.04 C ATOM 459 CD GLU A 27 6.987 34.477 10.576 1.00 22.13 C ATOM 460 OE1 GLU A 27 7.356 33.767 9.617 1.00 23.14 O ATOM 461 OE2 GLU A 27 7.638 35.458 10.993 1.00 23.42 O ATOM 0 H GLU A 27 3.213 34.712 12.150 1.00 1.24 H new ATOM 0 HA GLU A 27 4.947 36.096 14.036 1.00 41.24 H new ATOM 0 HB2 GLU A 27 6.689 34.754 13.051 1.00 4.33 H new ATOM 0 HB3 GLU A 27 5.303 33.720 13.334 1.00 4.33 H new ATOM 0 HG2 GLU A 27 5.518 33.054 11.203 1.00 12.04 H new ATOM 0 HG3 GLU A 27 4.858 34.612 10.746 1.00 12.04 H new ATOM 468 N GLY A 28 4.523 37.075 10.967 1.00 13.32 N ATOM 469 CA GLY A 28 4.842 38.131 10.025 1.00 41.35 C ATOM 470 C GLY A 28 4.058 39.401 10.291 1.00 42.42 C ATOM 471 O GLY A 28 3.206 39.792 9.493 1.00 41.41 O ATOM 0 H GLY A 28 3.738 36.483 10.697 1.00 13.32 H new ATOM 0 HA2 GLY A 28 5.909 38.349 10.076 1.00 41.35 H new ATOM 0 HA3 GLY A 28 4.635 37.785 9.012 1.00 41.35 H new ATOM 524 N GLU A 36 4.893 32.304 21.202 1.00 13.14 N ATOM 525 CA GLU A 36 3.858 31.319 21.486 1.00 32.21 C ATOM 526 C GLU A 36 2.811 31.293 20.375 1.00 32.43 C ATOM 527 O GLU A 36 2.239 30.246 20.071 1.00 45.41 O ATOM 528 CB GLU A 36 3.186 31.623 22.827 1.00 32.23 C ATOM 529 CG GLU A 36 1.967 30.760 23.107 1.00 70.13 C ATOM 530 CD GLU A 36 1.409 30.974 24.501 1.00 21.53 C ATOM 531 OE1 GLU A 36 2.133 31.535 25.350 1.00 62.30 O ATOM 532 OE2 GLU A 36 0.249 30.579 24.743 1.00 4.24 O ATOM 0 HA GLU A 36 4.332 30.339 21.539 1.00 32.21 H new ATOM 0 HB2 GLU A 36 3.912 31.482 23.628 1.00 32.23 H new ATOM 0 HB3 GLU A 36 2.890 32.672 22.846 1.00 32.23 H new ATOM 0 HG2 GLU A 36 1.193 30.981 22.372 1.00 70.13 H new ATOM 0 HG3 GLU A 36 2.233 29.710 22.983 1.00 70.13 H new ATOM 539 N LEU A 37 2.567 32.453 19.775 1.00 60.53 N ATOM 540 CA LEU A 37 1.590 32.565 18.697 1.00 74.04 C ATOM 541 C LEU A 37 1.910 31.593 17.567 1.00 34.44 C ATOM 542 O LEU A 37 1.013 31.110 16.877 1.00 62.13 O ATOM 543 CB LEU A 37 1.556 33.997 18.160 1.00 21.32 C ATOM 544 CG LEU A 37 0.718 34.994 18.959 1.00 51.34 C ATOM 545 CD1 LEU A 37 -0.734 34.544 19.018 1.00 23.40 C ATOM 546 CD2 LEU A 37 1.282 35.164 20.362 1.00 44.22 C ATOM 0 H LEU A 37 3.032 33.328 20.016 1.00 60.53 H new ATOM 0 HA LEU A 37 0.610 32.311 19.101 1.00 74.04 H new ATOM 0 HB2 LEU A 37 2.579 34.370 18.112 1.00 21.32 H new ATOM 0 HB3 LEU A 37 1.177 33.972 17.138 1.00 21.32 H new ATOM 0 HG LEU A 37 0.759 35.959 18.454 1.00 51.34 H new ATOM 0 HD11 LEU A 37 -1.316 35.266 19.591 1.00 23.40 H new ATOM 0 HD12 LEU A 37 -1.135 34.475 18.007 1.00 23.40 H new ATOM 0 HD13 LEU A 37 -0.793 33.567 19.499 1.00 23.40 H new ATOM 0 HD21 LEU A 37 0.672 35.878 20.915 1.00 44.22 H new ATOM 0 HD22 LEU A 37 1.273 34.203 20.877 1.00 44.22 H new ATOM 0 HD23 LEU A 37 2.306 35.533 20.300 1.00 44.22 H new ATOM 558 N MET A 38 3.196 31.308 17.385 1.00 71.11 N ATOM 559 CA MET A 38 3.635 30.389 16.341 1.00 50.44 C ATOM 560 C MET A 38 3.370 28.942 16.743 1.00 33.00 C ATOM 561 O MET A 38 3.089 28.093 15.897 1.00 54.22 O ATOM 562 CB MET A 38 5.124 30.587 16.051 1.00 70.21 C ATOM 563 CG MET A 38 5.399 31.582 14.936 1.00 52.30 C ATOM 564 SD MET A 38 7.100 32.182 14.944 1.00 71.11 S ATOM 565 CE MET A 38 6.910 33.723 15.838 1.00 33.41 C ATOM 0 H MET A 38 3.952 31.700 17.947 1.00 71.11 H new ATOM 0 HA MET A 38 3.065 30.606 15.438 1.00 50.44 H new ATOM 0 HB2 MET A 38 5.621 30.926 16.960 1.00 70.21 H new ATOM 0 HB3 MET A 38 5.565 29.626 15.786 1.00 70.21 H new ATOM 0 HG2 MET A 38 5.188 31.113 13.975 1.00 52.30 H new ATOM 0 HG3 MET A 38 4.719 32.428 15.034 1.00 52.30 H new ATOM 0 HE1 MET A 38 7.751 34.379 15.615 1.00 33.41 H new ATOM 0 HE2 MET A 38 5.982 34.207 15.535 1.00 33.41 H new ATOM 0 HE3 MET A 38 6.882 33.521 16.909 1.00 33.41 H new ATOM 575 N LYS A 39 3.464 28.667 18.039 1.00 34.41 N ATOM 576 CA LYS A 39 3.234 27.322 18.555 1.00 34.34 C ATOM 577 C LYS A 39 1.743 26.998 18.586 1.00 0.42 C ATOM 578 O LYS A 39 1.346 25.840 18.453 1.00 10.11 O ATOM 579 CB LYS A 39 3.826 27.184 19.959 1.00 55.53 C ATOM 580 CG LYS A 39 5.264 27.663 20.064 1.00 62.43 C ATOM 581 CD LYS A 39 5.868 27.325 21.416 1.00 4.41 C ATOM 582 CE LYS A 39 7.382 27.477 21.404 1.00 40.45 C ATOM 583 NZ LYS A 39 8.069 26.212 21.783 1.00 41.45 N ATOM 0 H LYS A 39 3.698 29.358 18.752 1.00 34.41 H new ATOM 0 HA LYS A 39 3.727 26.615 17.888 1.00 34.34 H new ATOM 0 HB2 LYS A 39 3.212 27.749 20.660 1.00 55.53 H new ATOM 0 HB3 LYS A 39 3.777 26.138 20.263 1.00 55.53 H new ATOM 0 HG2 LYS A 39 5.859 27.205 19.274 1.00 62.43 H new ATOM 0 HG3 LYS A 39 5.302 28.741 19.907 1.00 62.43 H new ATOM 0 HD2 LYS A 39 5.442 27.976 22.179 1.00 4.41 H new ATOM 0 HD3 LYS A 39 5.606 26.302 21.687 1.00 4.41 H new ATOM 0 HE2 LYS A 39 7.708 27.784 20.410 1.00 40.45 H new ATOM 0 HE3 LYS A 39 7.673 28.269 22.094 1.00 40.45 H new ATOM 0 HZ1 LYS A 39 9.099 26.357 21.763 1.00 41.45 H new ATOM 0 HZ2 LYS A 39 7.777 25.932 22.741 1.00 41.45 H new ATOM 0 HZ3 LYS A 39 7.812 25.462 21.110 1.00 41.45 H new ATOM 597 N LEU A 40 0.923 28.029 18.761 1.00 35.41 N ATOM 598 CA LEU A 40 -0.525 27.854 18.808 1.00 73.40 C ATOM 599 C LEU A 40 -1.031 27.163 17.546 1.00 4.31 C ATOM 600 O LEU A 40 -1.725 26.148 17.618 1.00 24.30 O ATOM 601 CB LEU A 40 -1.216 29.208 18.974 1.00 54.54 C ATOM 602 CG LEU A 40 -2.286 29.286 20.065 1.00 10.31 C ATOM 603 CD1 LEU A 40 -2.875 30.685 20.136 1.00 43.53 C ATOM 604 CD2 LEU A 40 -3.379 28.257 19.815 1.00 24.12 C ATOM 0 H LEU A 40 1.235 28.994 18.873 1.00 35.41 H new ATOM 0 HA LEU A 40 -0.763 27.224 19.665 1.00 73.40 H new ATOM 0 HB2 LEU A 40 -0.454 29.959 19.185 1.00 54.54 H new ATOM 0 HB3 LEU A 40 -1.675 29.478 18.023 1.00 54.54 H new ATOM 0 HG LEU A 40 -1.817 29.063 21.023 1.00 10.31 H new ATOM 0 HD11 LEU A 40 -3.634 30.721 20.917 1.00 43.53 H new ATOM 0 HD12 LEU A 40 -2.085 31.401 20.364 1.00 43.53 H new ATOM 0 HD13 LEU A 40 -3.329 30.938 19.178 1.00 43.53 H new ATOM 0 HD21 LEU A 40 -4.131 28.327 20.601 1.00 24.12 H new ATOM 0 HD22 LEU A 40 -3.845 28.449 18.848 1.00 24.12 H new ATOM 0 HD23 LEU A 40 -2.945 27.257 19.817 1.00 24.12 H new ATOM 616 N CYS A 41 -0.678 27.718 16.392 1.00 43.33 N ATOM 617 CA CYS A 41 -1.095 27.156 15.113 1.00 61.50 C ATOM 618 C CYS A 41 -0.452 25.792 14.884 1.00 72.51 C ATOM 619 O CYS A 41 -1.082 24.881 14.346 1.00 62.12 O ATOM 620 CB CYS A 41 -0.730 28.104 13.970 1.00 32.34 C ATOM 621 SG CYS A 41 -1.287 29.806 14.217 1.00 40.33 S ATOM 0 H CYS A 41 -0.103 28.557 16.316 1.00 43.33 H new ATOM 0 HA CYS A 41 -2.177 27.029 15.136 1.00 61.50 H new ATOM 0 HB2 CYS A 41 0.352 28.102 13.842 1.00 32.34 H new ATOM 0 HB3 CYS A 41 -1.161 27.723 13.044 1.00 32.34 H new ATOM 0 HG CYS A 41 -2.524 29.804 14.617 1.00 40.33 H new ATOM 627 N GLU A 42 0.806 25.659 15.294 1.00 52.22 N ATOM 628 CA GLU A 42 1.534 24.407 15.130 1.00 14.10 C ATOM 629 C GLU A 42 0.870 23.284 15.922 1.00 61.35 C ATOM 630 O GLU A 42 0.878 22.127 15.503 1.00 61.10 O ATOM 631 CB GLU A 42 2.986 24.573 15.581 1.00 11.11 C ATOM 632 CG GLU A 42 3.850 23.352 15.316 1.00 34.13 C ATOM 633 CD GLU A 42 4.992 23.219 16.306 1.00 61.51 C ATOM 634 OE1 GLU A 42 5.453 22.080 16.529 1.00 72.42 O ATOM 635 OE2 GLU A 42 5.423 24.253 16.856 1.00 23.55 O ATOM 0 H GLU A 42 1.341 26.403 15.742 1.00 52.22 H new ATOM 0 HA GLU A 42 1.517 24.143 14.073 1.00 14.10 H new ATOM 0 HB2 GLU A 42 3.420 25.432 15.070 1.00 11.11 H new ATOM 0 HB3 GLU A 42 3.003 24.795 16.648 1.00 11.11 H new ATOM 0 HG2 GLU A 42 3.230 22.457 15.360 1.00 34.13 H new ATOM 0 HG3 GLU A 42 4.255 23.410 14.306 1.00 34.13 H new ATOM 642 N GLU A 43 0.296 23.635 17.069 1.00 63.43 N ATOM 643 CA GLU A 43 -0.371 22.656 17.919 1.00 51.51 C ATOM 644 C GLU A 43 -1.557 22.025 17.195 1.00 31.25 C ATOM 645 O GLU A 43 -1.754 20.811 17.247 1.00 23.15 O ATOM 646 CB GLU A 43 -0.844 23.314 19.217 1.00 1.30 C ATOM 647 CG GLU A 43 -1.110 22.325 20.339 1.00 34.53 C ATOM 648 CD GLU A 43 -0.732 22.872 21.702 1.00 4.30 C ATOM 649 OE1 GLU A 43 0.190 22.311 22.331 1.00 55.14 O ATOM 650 OE2 GLU A 43 -1.357 23.861 22.139 1.00 53.04 O ATOM 0 H GLU A 43 0.280 24.589 17.430 1.00 63.43 H new ATOM 0 HA GLU A 43 0.347 21.871 18.158 1.00 51.51 H new ATOM 0 HB2 GLU A 43 -0.091 24.030 19.546 1.00 1.30 H new ATOM 0 HB3 GLU A 43 -1.755 23.878 19.017 1.00 1.30 H new ATOM 0 HG2 GLU A 43 -2.167 22.058 20.339 1.00 34.53 H new ATOM 0 HG3 GLU A 43 -0.550 21.409 20.151 1.00 34.53 H new ATOM 657 N ALA A 44 -2.344 22.857 16.521 1.00 1.44 N ATOM 658 CA ALA A 44 -3.508 22.381 15.786 1.00 53.21 C ATOM 659 C ALA A 44 -3.094 21.495 14.616 1.00 45.42 C ATOM 660 O ALA A 44 -3.756 20.504 14.311 1.00 74.34 O ATOM 661 CB ALA A 44 -4.338 23.558 15.292 1.00 34.32 C ATOM 0 H ALA A 44 -2.196 23.865 16.469 1.00 1.44 H new ATOM 0 HA ALA A 44 -4.115 21.782 16.464 1.00 53.21 H new ATOM 0 HB1 ALA A 44 -5.205 23.188 14.744 1.00 34.32 H new ATOM 0 HB2 ALA A 44 -4.673 24.150 16.144 1.00 34.32 H new ATOM 0 HB3 ALA A 44 -3.732 24.180 14.634 1.00 34.32 H new ATOM 667 N ALA A 45 -1.996 21.860 13.964 1.00 22.21 N ATOM 668 CA ALA A 45 -1.493 21.097 12.827 1.00 15.23 C ATOM 669 C ALA A 45 -0.804 19.816 13.288 1.00 62.03 C ATOM 670 O ALA A 45 -0.745 18.831 12.552 1.00 52.25 O ATOM 671 CB ALA A 45 -0.536 21.945 12.003 1.00 52.34 C ATOM 0 H ALA A 45 -1.437 22.679 14.203 1.00 22.21 H new ATOM 0 HA ALA A 45 -2.343 20.819 12.204 1.00 15.23 H new ATOM 0 HB1 ALA A 45 -0.169 21.362 11.158 1.00 52.34 H new ATOM 0 HB2 ALA A 45 -1.057 22.829 11.635 1.00 52.34 H new ATOM 0 HB3 ALA A 45 0.305 22.252 12.625 1.00 52.34 H new ATOM 677 N LYS A 46 -0.282 19.837 14.510 1.00 53.11 N ATOM 678 CA LYS A 46 0.403 18.679 15.070 1.00 65.34 C ATOM 679 C LYS A 46 -0.589 17.567 15.399 1.00 22.54 C ATOM 680 O LYS A 46 -0.256 16.384 15.331 1.00 63.41 O ATOM 681 CB LYS A 46 1.176 19.076 16.330 1.00 43.43 C ATOM 682 CG LYS A 46 2.290 18.109 16.691 1.00 70.23 C ATOM 683 CD LYS A 46 2.005 17.393 18.000 1.00 54.43 C ATOM 684 CE LYS A 46 3.230 16.649 18.507 1.00 4.53 C ATOM 685 NZ LYS A 46 4.101 17.521 19.343 1.00 10.14 N ATOM 0 H LYS A 46 -0.321 20.645 15.132 1.00 53.11 H new ATOM 0 HA LYS A 46 1.105 18.308 14.323 1.00 65.34 H new ATOM 0 HB2 LYS A 46 1.601 20.070 16.187 1.00 43.43 H new ATOM 0 HB3 LYS A 46 0.480 19.144 17.166 1.00 43.43 H new ATOM 0 HG2 LYS A 46 2.410 17.376 15.893 1.00 70.23 H new ATOM 0 HG3 LYS A 46 3.232 18.651 16.770 1.00 70.23 H new ATOM 0 HD2 LYS A 46 1.682 18.116 18.749 1.00 54.43 H new ATOM 0 HD3 LYS A 46 1.183 16.690 17.860 1.00 54.43 H new ATOM 0 HE2 LYS A 46 2.914 15.784 19.091 1.00 4.53 H new ATOM 0 HE3 LYS A 46 3.801 16.270 17.660 1.00 4.53 H new ATOM 0 HZ1 LYS A 46 4.925 16.977 19.670 1.00 10.14 H new ATOM 0 HZ2 LYS A 46 4.423 18.333 18.779 1.00 10.14 H new ATOM 0 HZ3 LYS A 46 3.564 17.862 20.165 1.00 10.14 H new ATOM 699 N LYS A 47 -1.809 17.955 15.754 1.00 21.32 N ATOM 700 CA LYS A 47 -2.851 16.991 16.091 1.00 25.24 C ATOM 701 C LYS A 47 -3.249 16.171 14.868 1.00 41.24 C ATOM 702 O LYS A 47 -3.680 15.025 14.991 1.00 51.22 O ATOM 703 CB LYS A 47 -4.076 17.712 16.656 1.00 43.42 C ATOM 704 CG LYS A 47 -4.487 17.223 18.035 1.00 5.53 C ATOM 705 CD LYS A 47 -3.661 17.880 19.127 1.00 13.15 C ATOM 706 CE LYS A 47 -3.170 16.860 20.144 1.00 2.23 C ATOM 707 NZ LYS A 47 -1.849 17.240 20.717 1.00 13.35 N ATOM 0 H LYS A 47 -2.101 18.930 15.816 1.00 21.32 H new ATOM 0 HA LYS A 47 -2.455 16.313 16.847 1.00 25.24 H new ATOM 0 HB2 LYS A 47 -3.867 18.781 16.706 1.00 43.42 H new ATOM 0 HB3 LYS A 47 -4.912 17.582 15.969 1.00 43.42 H new ATOM 0 HG2 LYS A 47 -5.543 17.436 18.198 1.00 5.53 H new ATOM 0 HG3 LYS A 47 -4.368 16.141 18.089 1.00 5.53 H new ATOM 0 HD2 LYS A 47 -2.808 18.391 18.682 1.00 13.15 H new ATOM 0 HD3 LYS A 47 -4.260 18.639 19.631 1.00 13.15 H new ATOM 0 HE2 LYS A 47 -3.901 16.767 20.947 1.00 2.23 H new ATOM 0 HE3 LYS A 47 -3.092 15.882 19.669 1.00 2.23 H new ATOM 0 HZ1 LYS A 47 -1.549 16.520 21.405 1.00 13.35 H new ATOM 0 HZ2 LYS A 47 -1.145 17.304 19.954 1.00 13.35 H new ATOM 0 HZ3 LYS A 47 -1.929 18.161 21.193 1.00 13.35 H new ATOM 721 N ALA A 48 -3.100 16.765 13.688 1.00 31.20 N ATOM 722 CA ALA A 48 -3.441 16.088 12.443 1.00 73.03 C ATOM 723 C ALA A 48 -2.429 14.994 12.119 1.00 52.23 C ATOM 724 O ALA A 48 -2.765 13.996 11.483 1.00 72.54 O ATOM 725 CB ALA A 48 -3.521 17.091 11.302 1.00 72.32 C ATOM 0 H ALA A 48 -2.745 17.714 13.569 1.00 31.20 H new ATOM 0 HA ALA A 48 -4.417 15.619 12.568 1.00 73.03 H new ATOM 0 HB1 ALA A 48 -3.776 16.572 10.378 1.00 72.32 H new ATOM 0 HB2 ALA A 48 -4.287 17.834 11.524 1.00 72.32 H new ATOM 0 HB3 ALA A 48 -2.557 17.587 11.185 1.00 72.32 H new ATOM 731 N GLU A 49 -1.190 15.190 12.559 1.00 44.23 N ATOM 732 CA GLU A 49 -0.130 14.219 12.312 1.00 52.10 C ATOM 733 C GLU A 49 -0.299 12.992 13.203 1.00 31.41 C ATOM 734 O GLU A 49 0.031 11.875 12.806 1.00 42.04 O ATOM 735 CB GLU A 49 1.240 14.855 12.555 1.00 34.24 C ATOM 736 CG GLU A 49 2.370 14.170 11.806 1.00 32.33 C ATOM 737 CD GLU A 49 3.734 14.716 12.182 1.00 71.53 C ATOM 738 OE1 GLU A 49 4.543 13.950 12.747 1.00 73.22 O ATOM 739 OE2 GLU A 49 3.993 15.906 11.910 1.00 40.23 O ATOM 0 H GLU A 49 -0.896 16.011 13.088 1.00 44.23 H new ATOM 0 HA GLU A 49 -0.196 13.903 11.271 1.00 52.10 H new ATOM 0 HB2 GLU A 49 1.202 15.903 12.259 1.00 34.24 H new ATOM 0 HB3 GLU A 49 1.457 14.833 13.623 1.00 34.24 H new ATOM 0 HG2 GLU A 49 2.342 13.100 12.012 1.00 32.33 H new ATOM 0 HG3 GLU A 49 2.217 14.292 10.734 1.00 32.33 H new ATOM 746 N GLU A 50 -0.815 13.210 14.409 1.00 60.21 N ATOM 747 CA GLU A 50 -1.026 12.121 15.357 1.00 24.22 C ATOM 748 C GLU A 50 -2.284 11.332 15.008 1.00 41.04 C ATOM 749 O GLU A 50 -2.385 10.140 15.300 1.00 20.30 O ATOM 750 CB GLU A 50 -1.133 12.669 16.781 1.00 0.45 C ATOM 751 CG GLU A 50 0.166 13.261 17.305 1.00 62.40 C ATOM 752 CD GLU A 50 0.785 12.426 18.409 1.00 42.23 C ATOM 753 OE1 GLU A 50 0.933 11.202 18.214 1.00 25.40 O ATOM 754 OE2 GLU A 50 1.119 12.997 19.468 1.00 55.31 O ATOM 0 H GLU A 50 -1.094 14.129 14.752 1.00 60.21 H new ATOM 0 HA GLU A 50 -0.169 11.450 15.297 1.00 24.22 H new ATOM 0 HB2 GLU A 50 -1.909 13.434 16.809 1.00 0.45 H new ATOM 0 HB3 GLU A 50 -1.452 11.867 17.447 1.00 0.45 H new ATOM 0 HG2 GLU A 50 0.876 13.354 16.483 1.00 62.40 H new ATOM 0 HG3 GLU A 50 -0.023 14.268 17.678 1.00 62.40 H new ATOM 761 N LEU A 51 -3.243 12.006 14.382 1.00 41.30 N ATOM 762 CA LEU A 51 -4.497 11.370 13.993 1.00 63.22 C ATOM 763 C LEU A 51 -4.279 10.398 12.838 1.00 64.31 C ATOM 764 O LEU A 51 -5.002 9.412 12.697 1.00 61.54 O ATOM 765 CB LEU A 51 -5.527 12.429 13.596 1.00 60.33 C ATOM 766 CG LEU A 51 -6.874 12.358 14.316 1.00 53.21 C ATOM 767 CD1 LEU A 51 -7.498 10.982 14.146 1.00 40.54 C ATOM 768 CD2 LEU A 51 -6.707 12.693 15.791 1.00 72.34 C ATOM 0 H LEU A 51 -3.176 12.993 14.133 1.00 41.30 H new ATOM 0 HA LEU A 51 -4.873 10.810 14.849 1.00 63.22 H new ATOM 0 HB2 LEU A 51 -5.094 13.413 13.774 1.00 60.33 H new ATOM 0 HB3 LEU A 51 -5.706 12.349 12.524 1.00 60.33 H new ATOM 0 HG LEU A 51 -7.543 13.094 13.870 1.00 53.21 H new ATOM 0 HD11 LEU A 51 -8.456 10.950 14.665 1.00 40.54 H new ATOM 0 HD12 LEU A 51 -7.653 10.781 13.086 1.00 40.54 H new ATOM 0 HD13 LEU A 51 -6.833 10.227 14.565 1.00 40.54 H new ATOM 0 HD21 LEU A 51 -7.675 12.638 16.289 1.00 72.34 H new ATOM 0 HD22 LEU A 51 -6.022 11.981 16.251 1.00 72.34 H new ATOM 0 HD23 LEU A 51 -6.304 13.701 15.892 1.00 72.34 H new ATOM 780 N PHE A 52 -3.275 10.682 12.014 1.00 34.22 N ATOM 781 CA PHE A 52 -2.960 9.831 10.872 1.00 44.42 C ATOM 782 C PHE A 52 -2.754 8.384 11.311 1.00 3.43 C ATOM 783 O PHE A 52 -3.075 7.449 10.577 1.00 12.24 O ATOM 784 CB PHE A 52 -1.707 10.344 10.158 1.00 74.23 C ATOM 785 CG PHE A 52 -1.846 10.391 8.663 1.00 14.34 C ATOM 786 CD1 PHE A 52 -1.945 9.222 7.926 1.00 41.24 C ATOM 787 CD2 PHE A 52 -1.876 11.605 7.996 1.00 4.21 C ATOM 788 CE1 PHE A 52 -2.074 9.263 6.550 1.00 25.32 C ATOM 789 CE2 PHE A 52 -2.004 11.652 6.620 1.00 33.43 C ATOM 790 CZ PHE A 52 -2.102 10.480 5.896 1.00 11.00 C ATOM 0 H PHE A 52 -2.666 11.494 12.116 1.00 34.22 H new ATOM 0 HA PHE A 52 -3.803 9.865 10.182 1.00 44.42 H new ATOM 0 HB2 PHE A 52 -1.473 11.343 10.525 1.00 74.23 H new ATOM 0 HB3 PHE A 52 -0.863 9.704 10.417 1.00 74.23 H new ATOM 0 HD1 PHE A 52 -1.921 8.268 8.432 1.00 41.24 H new ATOM 0 HD2 PHE A 52 -1.799 12.525 8.557 1.00 4.21 H new ATOM 0 HE1 PHE A 52 -2.153 8.345 5.987 1.00 25.32 H new ATOM 0 HE2 PHE A 52 -2.027 12.605 6.112 1.00 33.43 H new ATOM 0 HZ PHE A 52 -2.200 10.515 4.821 1.00 11.00 H new ATOM 800 N LYS A 53 -2.215 8.209 12.512 1.00 32.01 N ATOM 801 CA LYS A 53 -1.966 6.877 13.051 1.00 21.04 C ATOM 802 C LYS A 53 -3.270 6.104 13.219 1.00 5.35 C ATOM 803 O LYS A 53 -3.349 4.921 12.884 1.00 55.31 O ATOM 804 CB LYS A 53 -1.244 6.976 14.397 1.00 25.15 C ATOM 805 CG LYS A 53 0.203 7.423 14.280 1.00 4.44 C ATOM 806 CD LYS A 53 1.145 6.450 14.968 1.00 31.33 C ATOM 807 CE LYS A 53 2.548 7.025 15.093 1.00 34.34 C ATOM 808 NZ LYS A 53 2.663 7.962 16.244 1.00 54.54 N ATOM 0 H LYS A 53 -1.942 8.972 13.131 1.00 32.01 H new ATOM 0 HA LYS A 53 -1.334 6.340 12.344 1.00 21.04 H new ATOM 0 HB2 LYS A 53 -1.781 7.676 15.037 1.00 25.15 H new ATOM 0 HB3 LYS A 53 -1.277 6.004 14.890 1.00 25.15 H new ATOM 0 HG2 LYS A 53 0.474 7.510 13.228 1.00 4.44 H new ATOM 0 HG3 LYS A 53 0.316 8.413 14.721 1.00 4.44 H new ATOM 0 HD2 LYS A 53 0.760 6.209 15.959 1.00 31.33 H new ATOM 0 HD3 LYS A 53 1.182 5.518 14.404 1.00 31.33 H new ATOM 0 HE2 LYS A 53 3.264 6.212 15.214 1.00 34.34 H new ATOM 0 HE3 LYS A 53 2.810 7.547 14.173 1.00 34.34 H new ATOM 0 HZ1 LYS A 53 3.634 8.332 16.295 1.00 54.54 H new ATOM 0 HZ2 LYS A 53 1.998 8.751 16.117 1.00 54.54 H new ATOM 0 HZ3 LYS A 53 2.438 7.458 17.126 1.00 54.54 H new ATOM 822 N LEU A 54 -4.290 6.779 13.736 1.00 4.33 N ATOM 823 CA LEU A 54 -5.592 6.156 13.945 1.00 51.41 C ATOM 824 C LEU A 54 -6.364 6.053 12.633 1.00 14.31 C ATOM 825 O LEU A 54 -6.919 5.004 12.310 1.00 71.45 O ATOM 826 CB LEU A 54 -6.404 6.957 14.965 1.00 31.10 C ATOM 827 CG LEU A 54 -6.485 6.363 16.373 1.00 42.44 C ATOM 828 CD1 LEU A 54 -7.144 4.993 16.336 1.00 32.02 C ATOM 829 CD2 LEU A 54 -5.099 6.274 16.994 1.00 41.41 C ATOM 0 H LEU A 54 -4.241 7.758 14.018 1.00 4.33 H new ATOM 0 HA LEU A 54 -5.428 5.149 14.329 1.00 51.41 H new ATOM 0 HB2 LEU A 54 -5.974 7.956 15.038 1.00 31.10 H new ATOM 0 HB3 LEU A 54 -7.418 7.073 14.582 1.00 31.10 H new ATOM 0 HG LEU A 54 -7.096 7.021 16.991 1.00 42.44 H new ATOM 0 HD11 LEU A 54 -7.193 4.586 17.346 1.00 32.02 H new ATOM 0 HD12 LEU A 54 -8.152 5.085 15.932 1.00 32.02 H new ATOM 0 HD13 LEU A 54 -6.559 4.325 15.703 1.00 32.02 H new ATOM 0 HD21 LEU A 54 -5.175 5.849 17.995 1.00 41.41 H new ATOM 0 HD22 LEU A 54 -4.464 5.638 16.377 1.00 41.41 H new ATOM 0 HD23 LEU A 54 -4.663 7.271 17.055 1.00 41.41 H new ATOM 841 N ALA A 55 -6.391 7.148 11.881 1.00 74.35 N ATOM 842 CA ALA A 55 -7.091 7.178 10.602 1.00 1.45 C ATOM 843 C ALA A 55 -6.641 6.032 9.703 1.00 0.40 C ATOM 844 O ALA A 55 -7.423 5.515 8.906 1.00 72.33 O ATOM 845 CB ALA A 55 -6.866 8.515 9.909 1.00 33.13 C ATOM 0 H ALA A 55 -5.937 8.025 12.135 1.00 74.35 H new ATOM 0 HA ALA A 55 -8.157 7.056 10.796 1.00 1.45 H new ATOM 0 HB1 ALA A 55 -7.394 8.524 8.955 1.00 33.13 H new ATOM 0 HB2 ALA A 55 -7.243 9.320 10.540 1.00 33.13 H new ATOM 0 HB3 ALA A 55 -5.800 8.660 9.735 1.00 33.13 H new ATOM 851 N GLU A 56 -5.378 5.641 9.837 1.00 2.15 N ATOM 852 CA GLU A 56 -4.825 4.556 9.034 1.00 55.42 C ATOM 853 C GLU A 56 -5.307 3.201 9.546 1.00 12.33 C ATOM 854 O GLU A 56 -5.505 2.269 8.769 1.00 72.11 O ATOM 855 CB GLU A 56 -3.296 4.607 9.051 1.00 41.41 C ATOM 856 CG GLU A 56 -2.650 3.898 7.873 1.00 41.03 C ATOM 857 CD GLU A 56 -2.339 4.838 6.725 1.00 11.22 C ATOM 858 OE1 GLU A 56 -1.671 5.866 6.967 1.00 45.33 O ATOM 859 OE2 GLU A 56 -2.762 4.548 5.587 1.00 34.11 O ATOM 0 H GLU A 56 -4.718 6.059 10.493 1.00 2.15 H new ATOM 0 HA GLU A 56 -5.173 4.682 8.009 1.00 55.42 H new ATOM 0 HB2 GLU A 56 -2.976 5.649 9.057 1.00 41.41 H new ATOM 0 HB3 GLU A 56 -2.936 4.157 9.977 1.00 41.41 H new ATOM 0 HG2 GLU A 56 -1.729 3.417 8.204 1.00 41.03 H new ATOM 0 HG3 GLU A 56 -3.313 3.108 7.521 1.00 41.03 H new ATOM 866 N GLU A 57 -5.490 3.103 10.860 1.00 64.40 N ATOM 867 CA GLU A 57 -5.945 1.862 11.475 1.00 41.14 C ATOM 868 C GLU A 57 -7.443 1.665 11.257 1.00 62.45 C ATOM 869 O GLU A 57 -7.937 0.537 11.250 1.00 33.51 O ATOM 870 CB GLU A 57 -5.634 1.865 12.972 1.00 33.13 C ATOM 871 CG GLU A 57 -4.932 0.605 13.450 1.00 12.54 C ATOM 872 CD GLU A 57 -4.779 0.559 14.958 1.00 74.35 C ATOM 873 OE1 GLU A 57 -3.815 1.162 15.476 1.00 63.52 O ATOM 874 OE2 GLU A 57 -5.623 -0.080 15.621 1.00 31.24 O ATOM 0 H GLU A 57 -5.330 3.867 11.517 1.00 64.40 H new ATOM 0 HA GLU A 57 -5.414 1.036 11.002 1.00 41.14 H new ATOM 0 HB2 GLU A 57 -5.010 2.728 13.203 1.00 33.13 H new ATOM 0 HB3 GLU A 57 -6.564 1.986 13.528 1.00 33.13 H new ATOM 0 HG2 GLU A 57 -5.495 -0.268 13.119 1.00 12.54 H new ATOM 0 HG3 GLU A 57 -3.947 0.544 12.987 1.00 12.54 H new ATOM 881 N ARG A 58 -8.160 2.769 11.078 1.00 20.21 N ATOM 882 CA ARG A 58 -9.600 2.718 10.862 1.00 41.41 C ATOM 883 C ARG A 58 -9.925 2.671 9.371 1.00 12.52 C ATOM 884 O ARG A 58 -10.882 2.019 8.954 1.00 74.24 O ATOM 885 CB ARG A 58 -10.277 3.931 11.503 1.00 14.31 C ATOM 886 CG ARG A 58 -9.782 4.233 12.909 1.00 25.12 C ATOM 887 CD ARG A 58 -10.936 4.495 13.863 1.00 41.44 C ATOM 888 NE ARG A 58 -10.528 5.310 15.004 1.00 74.12 N ATOM 889 CZ ARG A 58 -11.315 5.565 16.043 1.00 73.35 C ATOM 890 NH1 ARG A 58 -12.545 5.071 16.085 1.00 61.34 N ATOM 891 NH2 ARG A 58 -10.873 6.315 17.045 1.00 20.34 N ATOM 0 H ARG A 58 -7.767 3.710 11.078 1.00 20.21 H new ATOM 0 HA ARG A 58 -9.980 1.809 11.329 1.00 41.41 H new ATOM 0 HB2 ARG A 58 -10.110 4.805 10.873 1.00 14.31 H new ATOM 0 HB3 ARG A 58 -11.353 3.761 11.534 1.00 14.31 H new ATOM 0 HG2 ARG A 58 -9.190 3.394 13.275 1.00 25.12 H new ATOM 0 HG3 ARG A 58 -9.124 5.102 12.885 1.00 25.12 H new ATOM 0 HD2 ARG A 58 -11.742 4.998 13.328 1.00 41.44 H new ATOM 0 HD3 ARG A 58 -11.334 3.545 14.220 1.00 41.44 H new ATOM 0 HE ARG A 58 -9.588 5.705 15.003 1.00 74.12 H new ATOM 0 HH11 ARG A 58 -12.889 4.493 15.318 1.00 61.34 H new ATOM 0 HH12 ARG A 58 -13.147 5.269 16.884 1.00 61.34 H new ATOM 0 HH21 ARG A 58 -9.927 6.697 17.018 1.00 20.34 H new ATOM 0 HH22 ARG A 58 -11.479 6.510 17.842 1.00 20.34 H new ATOM 905 N LEU A 59 -9.123 3.368 8.574 1.00 31.44 N ATOM 906 CA LEU A 59 -9.324 3.405 7.130 1.00 21.21 C ATOM 907 C LEU A 59 -8.424 2.393 6.428 1.00 11.33 C ATOM 908 O LEU A 59 -8.086 2.554 5.255 1.00 50.50 O ATOM 909 CB LEU A 59 -9.045 4.810 6.593 1.00 14.44 C ATOM 910 CG LEU A 59 -9.836 5.946 7.243 1.00 61.21 C ATOM 911 CD1 LEU A 59 -9.465 7.282 6.617 1.00 71.44 C ATOM 912 CD2 LEU A 59 -11.332 5.694 7.119 1.00 23.30 C ATOM 0 H LEU A 59 -8.328 3.915 8.903 1.00 31.44 H new ATOM 0 HA LEU A 59 -10.362 3.143 6.926 1.00 21.21 H new ATOM 0 HB2 LEU A 59 -7.982 5.019 6.713 1.00 14.44 H new ATOM 0 HB3 LEU A 59 -9.252 4.816 5.523 1.00 14.44 H new ATOM 0 HG LEU A 59 -9.580 5.981 8.302 1.00 61.21 H new ATOM 0 HD11 LEU A 59 -10.038 8.078 7.092 1.00 71.44 H new ATOM 0 HD12 LEU A 59 -8.400 7.467 6.759 1.00 71.44 H new ATOM 0 HD13 LEU A 59 -9.691 7.259 5.551 1.00 71.44 H new ATOM 0 HD21 LEU A 59 -11.879 6.512 7.587 1.00 23.30 H new ATOM 0 HD22 LEU A 59 -11.604 5.631 6.065 1.00 23.30 H new ATOM 0 HD23 LEU A 59 -11.586 4.757 7.616 1.00 23.30 H new ATOM 1049 N LEU B 4 -2.991 42.909 13.267 1.00 33.21 N ATOM 1050 CA LEU B 4 -2.628 41.618 12.693 1.00 22.03 C ATOM 1051 C LEU B 4 -3.127 40.473 13.570 1.00 5.14 C ATOM 1052 O LEU B 4 -3.365 39.366 13.085 1.00 53.40 O ATOM 1053 CB LEU B 4 -1.110 41.522 12.523 1.00 74.12 C ATOM 1054 CG LEU B 4 -0.273 41.919 13.738 1.00 14.41 C ATOM 1055 CD1 LEU B 4 0.623 40.769 14.170 1.00 71.21 C ATOM 1056 CD2 LEU B 4 0.558 43.158 13.432 1.00 34.13 C ATOM 0 HA LEU B 4 -3.103 41.536 11.715 1.00 22.03 H new ATOM 0 HB2 LEU B 4 -0.859 40.496 12.253 1.00 74.12 H new ATOM 0 HB3 LEU B 4 -0.818 42.153 11.684 1.00 74.12 H new ATOM 0 HG LEU B 4 -0.950 42.153 14.559 1.00 14.41 H new ATOM 0 HD11 LEU B 4 1.211 41.072 15.037 1.00 71.21 H new ATOM 0 HD12 LEU B 4 0.009 39.907 14.431 1.00 71.21 H new ATOM 0 HD13 LEU B 4 1.293 40.503 13.352 1.00 71.21 H new ATOM 0 HD21 LEU B 4 1.148 43.426 14.309 1.00 34.13 H new ATOM 0 HD22 LEU B 4 1.225 42.951 12.595 1.00 34.13 H new ATOM 0 HD23 LEU B 4 -0.103 43.985 13.173 1.00 34.13 H new ATOM 1068 N ARG B 5 -3.283 40.748 14.861 1.00 3.10 N ATOM 1069 CA ARG B 5 -3.755 39.741 15.804 1.00 2.24 C ATOM 1070 C ARG B 5 -5.179 39.309 15.470 1.00 54.03 C ATOM 1071 O ARG B 5 -5.447 38.125 15.268 1.00 35.15 O ATOM 1072 CB ARG B 5 -3.696 40.284 17.233 1.00 41.52 C ATOM 1073 CG ARG B 5 -2.415 39.928 17.968 1.00 3.34 C ATOM 1074 CD ARG B 5 -1.232 40.727 17.444 1.00 72.52 C ATOM 1075 NE ARG B 5 0.027 40.301 18.051 1.00 45.53 N ATOM 1076 CZ ARG B 5 1.138 41.030 18.025 1.00 74.40 C ATOM 1077 NH1 ARG B 5 1.145 42.213 17.427 1.00 24.23 N ATOM 1078 NH2 ARG B 5 2.244 40.573 18.599 1.00 4.53 N ATOM 0 H ARG B 5 -3.090 41.659 15.278 1.00 3.10 H new ATOM 0 HA ARG B 5 -3.103 38.871 15.726 1.00 2.24 H new ATOM 0 HB2 ARG B 5 -3.799 41.369 17.205 1.00 41.52 H new ATOM 0 HB3 ARG B 5 -4.546 39.898 17.795 1.00 41.52 H new ATOM 0 HG2 ARG B 5 -2.541 40.119 19.034 1.00 3.34 H new ATOM 0 HG3 ARG B 5 -2.214 38.863 17.856 1.00 3.34 H new ATOM 0 HD2 ARG B 5 -1.169 40.614 16.362 1.00 72.52 H new ATOM 0 HD3 ARG B 5 -1.392 41.786 17.646 1.00 72.52 H new ATOM 0 HE ARG B 5 0.055 39.396 18.520 1.00 45.53 H new ATOM 0 HH11 ARG B 5 0.296 42.566 16.985 1.00 24.23 H new ATOM 0 HH12 ARG B 5 1.999 42.770 17.409 1.00 24.23 H new ATOM 0 HH21 ARG B 5 2.241 39.663 19.060 1.00 4.53 H new ATOM 0 HH22 ARG B 5 3.097 41.132 18.579 1.00 4.53 H new ATOM 1092 N GLU B 6 -6.089 40.276 15.414 1.00 11.20 N ATOM 1093 CA GLU B 6 -7.486 39.994 15.107 1.00 12.21 C ATOM 1094 C GLU B 6 -7.652 39.605 13.640 1.00 33.23 C ATOM 1095 O GLU B 6 -8.533 38.819 13.293 1.00 52.14 O ATOM 1096 CB GLU B 6 -8.357 41.210 15.425 1.00 13.33 C ATOM 1097 CG GLU B 6 -9.248 41.020 16.642 1.00 25.51 C ATOM 1098 CD GLU B 6 -10.632 41.606 16.448 1.00 52.42 C ATOM 1099 OE1 GLU B 6 -10.749 42.849 16.405 1.00 65.12 O ATOM 1100 OE2 GLU B 6 -11.599 40.823 16.342 1.00 12.31 O ATOM 0 H GLU B 6 -5.884 41.262 15.577 1.00 11.20 H new ATOM 0 HA GLU B 6 -7.806 39.156 15.726 1.00 12.21 H new ATOM 0 HB2 GLU B 6 -7.713 42.075 15.588 1.00 13.33 H new ATOM 0 HB3 GLU B 6 -8.981 41.435 14.560 1.00 13.33 H new ATOM 0 HG2 GLU B 6 -9.335 39.956 16.861 1.00 25.51 H new ATOM 0 HG3 GLU B 6 -8.778 41.486 17.508 1.00 25.51 H new ATOM 1107 N GLU B 7 -6.799 40.161 12.786 1.00 53.53 N ATOM 1108 CA GLU B 7 -6.852 39.874 11.358 1.00 51.21 C ATOM 1109 C GLU B 7 -6.416 38.439 11.075 1.00 11.35 C ATOM 1110 O GLU B 7 -6.883 37.813 10.124 1.00 34.22 O ATOM 1111 CB GLU B 7 -5.964 40.851 10.585 1.00 11.12 C ATOM 1112 CG GLU B 7 -6.734 41.988 9.933 1.00 20.24 C ATOM 1113 CD GLU B 7 -6.169 42.374 8.579 1.00 74.44 C ATOM 1114 OE1 GLU B 7 -6.905 42.998 7.787 1.00 53.32 O ATOM 1115 OE2 GLU B 7 -4.993 42.051 8.313 1.00 63.23 O ATOM 0 H GLU B 7 -6.063 40.813 13.058 1.00 53.53 H new ATOM 0 HA GLU B 7 -7.884 39.994 11.028 1.00 51.21 H new ATOM 0 HB2 GLU B 7 -5.221 41.269 11.264 1.00 11.12 H new ATOM 0 HB3 GLU B 7 -5.420 40.303 9.815 1.00 11.12 H new ATOM 0 HG2 GLU B 7 -7.778 41.696 9.817 1.00 20.24 H new ATOM 0 HG3 GLU B 7 -6.718 42.857 10.591 1.00 20.24 H new ATOM 1122 N ALA B 8 -5.515 37.926 11.907 1.00 41.31 N ATOM 1123 CA ALA B 8 -5.016 36.566 11.748 1.00 11.10 C ATOM 1124 C ALA B 8 -6.056 35.544 12.194 1.00 30.21 C ATOM 1125 O ALA B 8 -6.093 34.421 11.690 1.00 40.32 O ATOM 1126 CB ALA B 8 -3.724 36.383 12.531 1.00 45.43 C ATOM 0 H ALA B 8 -5.116 38.432 12.698 1.00 41.31 H new ATOM 0 HA ALA B 8 -4.813 36.401 10.690 1.00 11.10 H new ATOM 0 HB1 ALA B 8 -3.363 35.363 12.403 1.00 45.43 H new ATOM 0 HB2 ALA B 8 -2.973 37.083 12.163 1.00 45.43 H new ATOM 0 HB3 ALA B 8 -3.909 36.573 13.588 1.00 45.43 H new ATOM 1132 N ALA B 9 -6.899 35.939 13.142 1.00 51.03 N ATOM 1133 CA ALA B 9 -7.941 35.057 13.654 1.00 44.41 C ATOM 1134 C ALA B 9 -8.779 34.479 12.519 1.00 22.22 C ATOM 1135 O ALA B 9 -9.321 33.379 12.630 1.00 31.13 O ATOM 1136 CB ALA B 9 -8.829 35.805 14.639 1.00 0.03 C ATOM 0 H ALA B 9 -6.881 36.864 13.571 1.00 51.03 H new ATOM 0 HA ALA B 9 -7.458 34.229 14.172 1.00 44.41 H new ATOM 0 HB1 ALA B 9 -9.603 35.134 15.013 1.00 0.03 H new ATOM 0 HB2 ALA B 9 -8.226 36.164 15.473 1.00 0.03 H new ATOM 0 HB3 ALA B 9 -9.295 36.653 14.137 1.00 0.03 H new ATOM 1142 N LYS B 10 -8.881 35.227 11.425 1.00 54.22 N ATOM 1143 CA LYS B 10 -9.652 34.790 10.267 1.00 75.52 C ATOM 1144 C LYS B 10 -9.119 33.465 9.728 1.00 3.52 C ATOM 1145 O LYS B 10 -9.875 32.648 9.202 1.00 54.14 O ATOM 1146 CB LYS B 10 -9.611 35.854 9.169 1.00 32.13 C ATOM 1147 CG LYS B 10 -8.296 35.895 8.411 1.00 65.14 C ATOM 1148 CD LYS B 10 -8.158 37.174 7.602 1.00 63.11 C ATOM 1149 CE LYS B 10 -8.906 37.082 6.281 1.00 5.20 C ATOM 1150 NZ LYS B 10 -9.616 38.351 5.956 1.00 72.33 N ATOM 0 H LYS B 10 -8.439 36.140 11.316 1.00 54.22 H new ATOM 0 HA LYS B 10 -10.685 34.645 10.583 1.00 75.52 H new ATOM 0 HB2 LYS B 10 -10.421 35.668 8.464 1.00 32.13 H new ATOM 0 HB3 LYS B 10 -9.794 36.832 9.615 1.00 32.13 H new ATOM 0 HG2 LYS B 10 -7.467 35.817 9.114 1.00 65.14 H new ATOM 0 HG3 LYS B 10 -8.231 35.034 7.746 1.00 65.14 H new ATOM 0 HD2 LYS B 10 -8.541 38.015 8.180 1.00 63.11 H new ATOM 0 HD3 LYS B 10 -7.103 37.373 7.411 1.00 63.11 H new ATOM 0 HE2 LYS B 10 -8.204 36.844 5.482 1.00 5.20 H new ATOM 0 HE3 LYS B 10 -9.626 36.265 6.327 1.00 5.20 H new ATOM 0 HZ1 LYS B 10 -10.114 38.248 5.049 1.00 72.33 H new ATOM 0 HZ2 LYS B 10 -10.304 38.566 6.706 1.00 72.33 H new ATOM 0 HZ3 LYS B 10 -8.927 39.127 5.887 1.00 72.33 H new ATOM 1164 N LEU B 11 -7.813 33.261 9.862 1.00 62.15 N ATOM 1165 CA LEU B 11 -7.179 32.035 9.388 1.00 51.20 C ATOM 1166 C LEU B 11 -7.508 30.862 10.306 1.00 54.14 C ATOM 1167 O LEU B 11 -7.625 29.722 9.856 1.00 2.20 O ATOM 1168 CB LEU B 11 -5.663 32.222 9.306 1.00 61.03 C ATOM 1169 CG LEU B 11 -5.072 32.296 7.897 1.00 73.12 C ATOM 1170 CD1 LEU B 11 -5.322 30.998 7.144 1.00 35.22 C ATOM 1171 CD2 LEU B 11 -5.655 33.477 7.135 1.00 41.23 C ATOM 0 H LEU B 11 -7.173 33.927 10.294 1.00 62.15 H new ATOM 0 HA LEU B 11 -7.567 31.815 8.394 1.00 51.20 H new ATOM 0 HB2 LEU B 11 -5.400 33.137 9.837 1.00 61.03 H new ATOM 0 HB3 LEU B 11 -5.186 31.398 9.836 1.00 61.03 H new ATOM 0 HG LEU B 11 -3.995 32.441 7.983 1.00 73.12 H new ATOM 0 HD11 LEU B 11 -4.895 31.069 6.144 1.00 35.22 H new ATOM 0 HD12 LEU B 11 -4.856 30.171 7.680 1.00 35.22 H new ATOM 0 HD13 LEU B 11 -6.395 30.822 7.068 1.00 35.22 H new ATOM 0 HD21 LEU B 11 -5.223 33.514 6.135 1.00 41.23 H new ATOM 0 HD22 LEU B 11 -6.736 33.363 7.059 1.00 41.23 H new ATOM 0 HD23 LEU B 11 -5.424 34.401 7.664 1.00 41.23 H new ATOM 1183 N PHE B 12 -7.660 31.149 11.595 1.00 44.23 N ATOM 1184 CA PHE B 12 -7.978 30.119 12.576 1.00 32.33 C ATOM 1185 C PHE B 12 -9.313 29.454 12.253 1.00 21.54 C ATOM 1186 O PHE B 12 -9.444 28.233 12.332 1.00 33.33 O ATOM 1187 CB PHE B 12 -8.022 30.720 13.982 1.00 33.12 C ATOM 1188 CG PHE B 12 -6.705 30.661 14.701 1.00 63.11 C ATOM 1189 CD1 PHE B 12 -5.576 31.251 14.155 1.00 62.43 C ATOM 1190 CD2 PHE B 12 -6.594 30.016 15.923 1.00 44.15 C ATOM 1191 CE1 PHE B 12 -4.362 31.200 14.813 1.00 33.23 C ATOM 1192 CE2 PHE B 12 -5.384 29.962 16.586 1.00 31.24 C ATOM 1193 CZ PHE B 12 -4.266 30.553 16.030 1.00 3.04 C ATOM 0 H PHE B 12 -7.568 32.087 11.984 1.00 44.23 H new ATOM 0 HA PHE B 12 -7.196 29.361 12.537 1.00 32.33 H new ATOM 0 HB2 PHE B 12 -8.343 31.759 13.914 1.00 33.12 H new ATOM 0 HB3 PHE B 12 -8.772 30.192 14.571 1.00 33.12 H new ATOM 0 HD1 PHE B 12 -5.646 31.757 13.203 1.00 62.43 H new ATOM 0 HD2 PHE B 12 -7.464 29.550 16.362 1.00 44.15 H new ATOM 0 HE1 PHE B 12 -3.490 31.665 14.377 1.00 33.23 H new ATOM 0 HE2 PHE B 12 -5.312 29.458 17.539 1.00 31.24 H new ATOM 0 HZ PHE B 12 -3.318 30.509 16.546 1.00 3.04 H new ATOM 1203 N GLU B 13 -10.299 30.266 11.888 1.00 51.22 N ATOM 1204 CA GLU B 13 -11.624 29.757 11.554 1.00 63.12 C ATOM 1205 C GLU B 13 -11.618 29.080 10.186 1.00 65.13 C ATOM 1206 O GLU B 13 -12.371 28.138 9.946 1.00 61.02 O ATOM 1207 CB GLU B 13 -12.650 30.891 11.570 1.00 70.11 C ATOM 1208 CG GLU B 13 -13.457 30.965 12.856 1.00 65.23 C ATOM 1209 CD GLU B 13 -12.654 31.517 14.016 1.00 13.45 C ATOM 1210 OE1 GLU B 13 -11.685 32.265 13.766 1.00 61.25 O ATOM 1211 OE2 GLU B 13 -12.993 31.202 15.176 1.00 33.03 O ATOM 0 H GLU B 13 -10.206 31.279 11.816 1.00 51.22 H new ATOM 0 HA GLU B 13 -11.900 29.017 12.305 1.00 63.12 H new ATOM 0 HB2 GLU B 13 -12.133 31.839 11.420 1.00 70.11 H new ATOM 0 HB3 GLU B 13 -13.332 30.764 10.730 1.00 70.11 H new ATOM 0 HG2 GLU B 13 -14.334 31.592 12.695 1.00 65.23 H new ATOM 0 HG3 GLU B 13 -13.820 29.969 13.111 1.00 65.23 H new ATOM 1218 N GLU B 14 -10.763 29.570 9.294 1.00 10.32 N ATOM 1219 CA GLU B 14 -10.660 29.015 7.950 1.00 71.20 C ATOM 1220 C GLU B 14 -10.383 27.515 8.001 1.00 21.02 C ATOM 1221 O GLU B 14 -10.706 26.781 7.067 1.00 3.25 O ATOM 1222 CB GLU B 14 -9.554 29.722 7.164 1.00 10.24 C ATOM 1223 CG GLU B 14 -9.829 29.813 5.673 1.00 24.20 C ATOM 1224 CD GLU B 14 -10.676 31.016 5.308 1.00 71.24 C ATOM 1225 OE1 GLU B 14 -10.175 32.153 5.429 1.00 70.01 O ATOM 1226 OE2 GLU B 14 -11.842 30.820 4.902 1.00 34.04 O ATOM 0 H GLU B 14 -10.132 30.350 9.478 1.00 10.32 H new ATOM 0 HA GLU B 14 -11.613 29.175 7.445 1.00 71.20 H new ATOM 0 HB2 GLU B 14 -9.423 30.728 7.563 1.00 10.24 H new ATOM 0 HB3 GLU B 14 -8.614 29.193 7.320 1.00 10.24 H new ATOM 0 HG2 GLU B 14 -8.882 29.863 5.135 1.00 24.20 H new ATOM 0 HG3 GLU B 14 -10.334 28.905 5.345 1.00 24.20 H new ATOM 1233 N TRP B 15 -9.782 27.068 9.098 1.00 32.10 N ATOM 1234 CA TRP B 15 -9.460 25.655 9.271 1.00 50.25 C ATOM 1235 C TRP B 15 -10.720 24.798 9.204 1.00 4.34 C ATOM 1236 O TRP B 15 -10.720 23.725 8.600 1.00 14.23 O ATOM 1237 CB TRP B 15 -8.748 25.433 10.607 1.00 52.55 C ATOM 1238 CG TRP B 15 -7.492 26.236 10.750 1.00 0.34 C ATOM 1239 CD1 TRP B 15 -6.678 26.673 9.744 1.00 53.12 C ATOM 1240 CD2 TRP B 15 -6.903 26.697 11.972 1.00 61.24 C ATOM 1241 NE1 TRP B 15 -5.620 27.377 10.266 1.00 35.22 N ATOM 1242 CE2 TRP B 15 -5.736 27.406 11.631 1.00 0.02 C ATOM 1243 CE3 TRP B 15 -7.251 26.580 13.320 1.00 54.30 C ATOM 1244 CZ2 TRP B 15 -4.915 27.994 12.590 1.00 11.44 C ATOM 1245 CZ3 TRP B 15 -6.435 27.164 14.272 1.00 44.24 C ATOM 1246 CH2 TRP B 15 -5.279 27.864 13.902 1.00 11.41 C ATOM 0 H TRP B 15 -9.508 27.662 9.880 1.00 32.10 H new ATOM 0 HA TRP B 15 -8.796 25.357 8.460 1.00 50.25 H new ATOM 0 HB2 TRP B 15 -9.428 25.688 11.420 1.00 52.55 H new ATOM 0 HB3 TRP B 15 -8.508 24.375 10.712 1.00 52.55 H new ATOM 0 HD1 TRP B 15 -6.842 26.492 8.692 1.00 53.12 H new ATOM 0 HE1 TRP B 15 -4.870 27.808 9.725 1.00 35.22 H new ATOM 0 HE3 TRP B 15 -8.141 26.043 13.613 1.00 54.30 H new ATOM 0 HZ2 TRP B 15 -4.023 28.533 12.308 1.00 11.44 H new ATOM 0 HZ3 TRP B 15 -6.693 27.079 15.317 1.00 44.24 H new ATOM 0 HH2 TRP B 15 -4.663 28.310 14.669 1.00 11.41 H new ATOM 1257 N LYS B 16 -11.791 25.278 9.825 1.00 32.32 N ATOM 1258 CA LYS B 16 -13.058 24.557 9.834 1.00 32.34 C ATOM 1259 C LYS B 16 -13.746 24.648 8.476 1.00 32.13 C ATOM 1260 O LYS B 16 -14.616 23.839 8.154 1.00 63.02 O ATOM 1261 CB LYS B 16 -13.979 25.114 10.923 1.00 4.14 C ATOM 1262 CG LYS B 16 -14.679 26.401 10.527 1.00 65.11 C ATOM 1263 CD LYS B 16 -14.615 27.436 11.637 1.00 43.23 C ATOM 1264 CE LYS B 16 -15.554 27.085 12.781 1.00 32.42 C ATOM 1265 NZ LYS B 16 -16.928 27.612 12.554 1.00 24.22 N ATOM 0 H LYS B 16 -11.807 26.164 10.329 1.00 32.32 H new ATOM 0 HA LYS B 16 -12.848 23.509 10.046 1.00 32.34 H new ATOM 0 HB2 LYS B 16 -14.730 24.364 11.171 1.00 4.14 H new ATOM 0 HB3 LYS B 16 -13.395 25.291 11.826 1.00 4.14 H new ATOM 0 HG2 LYS B 16 -14.218 26.804 9.626 1.00 65.11 H new ATOM 0 HG3 LYS B 16 -15.721 26.190 10.285 1.00 65.11 H new ATOM 0 HD2 LYS B 16 -13.594 27.507 12.012 1.00 43.23 H new ATOM 0 HD3 LYS B 16 -14.877 28.416 11.238 1.00 43.23 H new ATOM 0 HE2 LYS B 16 -15.595 26.002 12.897 1.00 32.42 H new ATOM 0 HE3 LYS B 16 -15.159 27.491 13.712 1.00 32.42 H new ATOM 0 HZ1 LYS B 16 -17.537 27.351 13.356 1.00 24.22 H new ATOM 0 HZ2 LYS B 16 -16.893 28.648 12.468 1.00 24.22 H new ATOM 0 HZ3 LYS B 16 -17.316 27.205 11.679 1.00 24.22 H new ATOM 1279 N LYS B 17 -13.350 25.637 7.683 1.00 4.23 N ATOM 1280 CA LYS B 17 -13.926 25.833 6.358 1.00 52.44 C ATOM 1281 C LYS B 17 -13.583 24.667 5.437 1.00 10.52 C ATOM 1282 O LYS B 17 -14.457 24.107 4.775 1.00 54.42 O ATOM 1283 CB LYS B 17 -13.421 27.144 5.749 1.00 53.32 C ATOM 1284 CG LYS B 17 -14.188 27.575 4.511 1.00 61.44 C ATOM 1285 CD LYS B 17 -13.251 27.925 3.368 1.00 23.13 C ATOM 1286 CE LYS B 17 -13.950 27.818 2.021 1.00 32.03 C ATOM 1287 NZ LYS B 17 -14.723 29.049 1.698 1.00 55.24 N ATOM 0 H LYS B 17 -12.632 26.316 7.935 1.00 4.23 H new ATOM 0 HA LYS B 17 -15.010 25.882 6.464 1.00 52.44 H new ATOM 0 HB2 LYS B 17 -13.486 27.932 6.499 1.00 53.32 H new ATOM 0 HB3 LYS B 17 -12.367 27.034 5.493 1.00 53.32 H new ATOM 0 HG2 LYS B 17 -14.859 26.774 4.200 1.00 61.44 H new ATOM 0 HG3 LYS B 17 -14.810 28.437 4.749 1.00 61.44 H new ATOM 0 HD2 LYS B 17 -12.873 28.938 3.503 1.00 23.13 H new ATOM 0 HD3 LYS B 17 -12.389 27.258 3.386 1.00 23.13 H new ATOM 0 HE2 LYS B 17 -13.210 27.639 1.241 1.00 32.03 H new ATOM 0 HE3 LYS B 17 -14.621 26.959 2.027 1.00 32.03 H new ATOM 0 HZ1 LYS B 17 -15.184 28.936 0.773 1.00 55.24 H new ATOM 0 HZ2 LYS B 17 -15.446 29.206 2.429 1.00 55.24 H new ATOM 0 HZ3 LYS B 17 -14.079 29.865 1.667 1.00 55.24 H new ATOM 1301 N LEU B 18 -12.305 24.304 5.401 1.00 1.42 N ATOM 1302 CA LEU B 18 -11.847 23.202 4.562 1.00 10.34 C ATOM 1303 C LEU B 18 -12.230 21.858 5.171 1.00 32.01 C ATOM 1304 O LEU B 18 -12.503 20.896 4.455 1.00 61.35 O ATOM 1305 CB LEU B 18 -10.330 23.276 4.374 1.00 64.13 C ATOM 1306 CG LEU B 18 -9.847 23.778 3.012 1.00 14.13 C ATOM 1307 CD1 LEU B 18 -10.089 25.273 2.878 1.00 10.35 C ATOM 1308 CD2 LEU B 18 -8.372 23.456 2.818 1.00 62.13 C ATOM 0 H LEU B 18 -11.568 24.756 5.943 1.00 1.42 H new ATOM 0 HA LEU B 18 -12.333 23.291 3.590 1.00 10.34 H new ATOM 0 HB2 LEU B 18 -9.920 23.927 5.146 1.00 64.13 H new ATOM 0 HB3 LEU B 18 -9.914 22.282 4.541 1.00 64.13 H new ATOM 0 HG LEU B 18 -10.416 23.267 2.235 1.00 14.13 H new ATOM 0 HD11 LEU B 18 -9.739 25.612 1.903 1.00 10.35 H new ATOM 0 HD12 LEU B 18 -11.155 25.479 2.973 1.00 10.35 H new ATOM 0 HD13 LEU B 18 -9.546 25.801 3.662 1.00 10.35 H new ATOM 0 HD21 LEU B 18 -8.045 23.820 1.844 1.00 62.13 H new ATOM 0 HD22 LEU B 18 -7.788 23.940 3.601 1.00 62.13 H new ATOM 0 HD23 LEU B 18 -8.225 22.377 2.870 1.00 62.13 H new ATOM 1320 N ALA B 19 -12.249 21.800 6.499 1.00 34.21 N ATOM 1321 CA ALA B 19 -12.604 20.575 7.205 1.00 15.15 C ATOM 1322 C ALA B 19 -14.048 20.177 6.923 1.00 22.24 C ATOM 1323 O ALA B 19 -14.347 19.002 6.713 1.00 32.02 O ATOM 1324 CB ALA B 19 -12.383 20.746 8.701 1.00 73.22 C ATOM 0 H ALA B 19 -12.023 22.587 7.107 1.00 34.21 H new ATOM 0 HA ALA B 19 -11.958 19.775 6.842 1.00 15.15 H new ATOM 0 HB1 ALA B 19 -12.652 19.824 9.216 1.00 73.22 H new ATOM 0 HB2 ALA B 19 -11.334 20.975 8.890 1.00 73.22 H new ATOM 0 HB3 ALA B 19 -13.004 21.562 9.070 1.00 73.22 H new ATOM 1330 N GLU B 20 -14.939 21.164 6.921 1.00 61.52 N ATOM 1331 CA GLU B 20 -16.353 20.913 6.666 1.00 42.32 C ATOM 1332 C GLU B 20 -16.579 20.498 5.216 1.00 71.44 C ATOM 1333 O GLU B 20 -17.407 19.633 4.930 1.00 23.21 O ATOM 1334 CB GLU B 20 -17.180 22.161 6.985 1.00 4.13 C ATOM 1335 CG GLU B 20 -18.679 21.938 6.893 1.00 52.04 C ATOM 1336 CD GLU B 20 -19.478 23.142 7.353 1.00 72.22 C ATOM 1337 OE1 GLU B 20 -19.089 23.759 8.367 1.00 25.11 O ATOM 1338 OE2 GLU B 20 -20.492 23.466 6.700 1.00 51.23 O ATOM 0 H GLU B 20 -14.707 22.142 7.093 1.00 61.52 H new ATOM 0 HA GLU B 20 -16.674 20.097 7.314 1.00 42.32 H new ATOM 0 HB2 GLU B 20 -16.933 22.503 7.990 1.00 4.13 H new ATOM 0 HB3 GLU B 20 -16.897 22.959 6.299 1.00 4.13 H new ATOM 0 HG2 GLU B 20 -18.945 21.703 5.862 1.00 52.04 H new ATOM 0 HG3 GLU B 20 -18.952 21.073 7.498 1.00 52.04 H new ATOM 1345 N GLU B 21 -15.838 21.120 4.306 1.00 64.40 N ATOM 1346 CA GLU B 21 -15.958 20.814 2.885 1.00 44.25 C ATOM 1347 C GLU B 21 -15.327 19.464 2.562 1.00 35.45 C ATOM 1348 O GLU B 21 -15.766 18.763 1.650 1.00 14.10 O ATOM 1349 CB GLU B 21 -15.297 21.911 2.047 1.00 43.11 C ATOM 1350 CG GLU B 21 -15.754 21.929 0.597 1.00 2.14 C ATOM 1351 CD GLU B 21 -14.709 22.509 -0.337 1.00 53.40 C ATOM 1352 OE1 GLU B 21 -15.019 23.504 -1.026 1.00 64.21 O ATOM 1353 OE2 GLU B 21 -13.584 21.970 -0.377 1.00 44.35 O ATOM 0 H GLU B 21 -15.148 21.839 4.526 1.00 64.40 H new ATOM 0 HA GLU B 21 -17.019 20.767 2.639 1.00 44.25 H new ATOM 0 HB2 GLU B 21 -15.511 22.880 2.498 1.00 43.11 H new ATOM 0 HB3 GLU B 21 -14.216 21.777 2.077 1.00 43.11 H new ATOM 0 HG2 GLU B 21 -15.993 20.913 0.283 1.00 2.14 H new ATOM 0 HG3 GLU B 21 -16.672 22.512 0.516 1.00 2.14 H new ATOM 1360 N ALA B 22 -14.294 19.104 3.318 1.00 2.32 N ATOM 1361 CA ALA B 22 -13.602 17.837 3.114 1.00 53.53 C ATOM 1362 C ALA B 22 -14.416 16.673 3.671 1.00 43.21 C ATOM 1363 O ALA B 22 -14.349 15.556 3.159 1.00 3.05 O ATOM 1364 CB ALA B 22 -12.226 17.878 3.760 1.00 24.14 C ATOM 0 H ALA B 22 -13.918 19.672 4.077 1.00 2.32 H new ATOM 0 HA ALA B 22 -13.483 17.684 2.041 1.00 53.53 H new ATOM 0 HB1 ALA B 22 -11.720 16.926 3.600 1.00 24.14 H new ATOM 0 HB2 ALA B 22 -11.638 18.680 3.314 1.00 24.14 H new ATOM 0 HB3 ALA B 22 -12.332 18.057 4.830 1.00 24.14 H new ATOM 1370 N ALA B 23 -15.183 16.942 4.722 1.00 61.21 N ATOM 1371 CA ALA B 23 -16.009 15.917 5.347 1.00 71.12 C ATOM 1372 C ALA B 23 -16.874 15.203 4.313 1.00 14.43 C ATOM 1373 O ALA B 23 -17.205 14.028 4.471 1.00 44.22 O ATOM 1374 CB ALA B 23 -16.880 16.531 6.434 1.00 24.11 C ATOM 0 H ALA B 23 -15.249 17.861 5.159 1.00 61.21 H new ATOM 0 HA ALA B 23 -15.348 15.179 5.801 1.00 71.12 H new ATOM 0 HB1 ALA B 23 -17.492 15.754 6.892 1.00 24.11 H new ATOM 0 HB2 ALA B 23 -16.246 16.989 7.193 1.00 24.11 H new ATOM 0 HB3 ALA B 23 -17.527 17.291 5.996 1.00 24.11 H new ATOM 1380 N LYS B 24 -17.238 15.922 3.256 1.00 73.51 N ATOM 1381 CA LYS B 24 -18.064 15.358 2.196 1.00 10.30 C ATOM 1382 C LYS B 24 -17.431 14.092 1.627 1.00 14.02 C ATOM 1383 O LYS B 24 -18.131 13.173 1.200 1.00 42.23 O ATOM 1384 CB LYS B 24 -18.268 16.385 1.079 1.00 22.01 C ATOM 1385 CG LYS B 24 -17.038 16.591 0.211 1.00 74.22 C ATOM 1386 CD LYS B 24 -17.062 15.690 -1.012 1.00 53.30 C ATOM 1387 CE LYS B 24 -16.559 16.417 -2.250 1.00 53.43 C ATOM 1388 NZ LYS B 24 -17.119 15.834 -3.501 1.00 34.24 N ATOM 0 H LYS B 24 -16.974 16.896 3.111 1.00 73.51 H new ATOM 0 HA LYS B 24 -19.032 15.098 2.624 1.00 10.30 H new ATOM 0 HB2 LYS B 24 -19.098 16.064 0.449 1.00 22.01 H new ATOM 0 HB3 LYS B 24 -18.554 17.339 1.522 1.00 22.01 H new ATOM 0 HG2 LYS B 24 -16.984 17.633 -0.104 1.00 74.22 H new ATOM 0 HG3 LYS B 24 -16.141 16.389 0.796 1.00 74.22 H new ATOM 0 HD2 LYS B 24 -16.445 14.810 -0.829 1.00 53.30 H new ATOM 0 HD3 LYS B 24 -18.078 15.336 -1.184 1.00 53.30 H new ATOM 0 HE2 LYS B 24 -16.830 17.471 -2.187 1.00 53.43 H new ATOM 0 HE3 LYS B 24 -15.471 16.369 -2.282 1.00 53.43 H new ATOM 0 HZ1 LYS B 24 -16.753 16.357 -4.322 1.00 34.24 H new ATOM 0 HZ2 LYS B 24 -16.840 14.835 -3.574 1.00 34.24 H new ATOM 0 HZ3 LYS B 24 -18.157 15.903 -3.482 1.00 34.24 H new ATOM 1402 N LEU B 25 -16.103 14.049 1.627 1.00 52.54 N ATOM 1403 CA LEU B 25 -15.375 12.894 1.113 1.00 43.35 C ATOM 1404 C LEU B 25 -15.434 11.731 2.097 1.00 32.10 C ATOM 1405 O LEU B 25 -15.424 10.565 1.699 1.00 0.41 O ATOM 1406 CB LEU B 25 -13.919 13.268 0.833 1.00 65.14 C ATOM 1407 CG LEU B 25 -13.531 13.401 -0.641 1.00 11.11 C ATOM 1408 CD1 LEU B 25 -12.262 14.227 -0.786 1.00 70.10 C ATOM 1409 CD2 LEU B 25 -13.351 12.028 -1.271 1.00 13.00 C ATOM 0 H LEU B 25 -15.509 14.800 1.977 1.00 52.54 H new ATOM 0 HA LEU B 25 -15.849 12.582 0.182 1.00 43.35 H new ATOM 0 HB2 LEU B 25 -13.706 14.214 1.331 1.00 65.14 H new ATOM 0 HB3 LEU B 25 -13.277 12.515 1.290 1.00 65.14 H new ATOM 0 HG LEU B 25 -14.337 13.916 -1.164 1.00 11.11 H new ATOM 0 HD11 LEU B 25 -12.001 14.311 -1.841 1.00 70.10 H new ATOM 0 HD12 LEU B 25 -12.426 15.222 -0.372 1.00 70.10 H new ATOM 0 HD13 LEU B 25 -11.448 13.741 -0.249 1.00 70.10 H new ATOM 0 HD21 LEU B 25 -13.075 12.142 -2.319 1.00 13.00 H new ATOM 0 HD22 LEU B 25 -12.564 11.487 -0.746 1.00 13.00 H new ATOM 0 HD23 LEU B 25 -14.285 11.470 -1.200 1.00 13.00 H new ATOM 1421 N LEU B 26 -15.496 12.055 3.384 1.00 41.23 N ATOM 1422 CA LEU B 26 -15.559 11.037 4.427 1.00 73.35 C ATOM 1423 C LEU B 26 -16.977 10.492 4.572 1.00 14.03 C ATOM 1424 O LEU B 26 -17.171 9.334 4.940 1.00 51.24 O ATOM 1425 CB LEU B 26 -15.084 11.615 5.761 1.00 45.43 C ATOM 1426 CG LEU B 26 -13.611 11.392 6.103 1.00 33.41 C ATOM 1427 CD1 LEU B 26 -13.261 12.062 7.423 1.00 41.14 C ATOM 1428 CD2 LEU B 26 -13.297 9.904 6.159 1.00 33.23 C ATOM 0 H LEU B 26 -15.504 13.014 3.730 1.00 41.23 H new ATOM 0 HA LEU B 26 -14.902 10.216 4.139 1.00 73.35 H new ATOM 0 HB2 LEU B 26 -15.277 12.688 5.759 1.00 45.43 H new ATOM 0 HB3 LEU B 26 -15.690 11.184 6.557 1.00 45.43 H new ATOM 0 HG LEU B 26 -13.003 11.843 5.318 1.00 33.41 H new ATOM 0 HD11 LEU B 26 -12.208 11.892 7.649 1.00 41.14 H new ATOM 0 HD12 LEU B 26 -13.448 13.133 7.348 1.00 41.14 H new ATOM 0 HD13 LEU B 26 -13.876 11.641 8.219 1.00 41.14 H new ATOM 0 HD21 LEU B 26 -12.244 9.763 6.404 1.00 33.23 H new ATOM 0 HD22 LEU B 26 -13.914 9.431 6.923 1.00 33.23 H new ATOM 0 HD23 LEU B 26 -13.508 9.451 5.190 1.00 33.23 H new ATOM 1440 N GLU B 27 -17.962 11.334 4.278 1.00 41.33 N ATOM 1441 CA GLU B 27 -19.361 10.936 4.374 1.00 32.01 C ATOM 1442 C GLU B 27 -19.853 10.352 3.053 1.00 34.42 C ATOM 1443 O GLU B 27 -20.782 9.546 3.026 1.00 70.03 O ATOM 1444 CB GLU B 27 -20.229 12.132 4.770 1.00 1.11 C ATOM 1445 CG GLU B 27 -20.441 13.130 3.643 1.00 54.15 C ATOM 1446 CD GLU B 27 -21.778 12.951 2.950 1.00 40.33 C ATOM 1447 OE1 GLU B 27 -22.195 13.875 2.220 1.00 73.30 O ATOM 1448 OE2 GLU B 27 -22.407 11.888 3.137 1.00 0.42 O ATOM 0 H GLU B 27 -17.817 12.296 3.971 1.00 41.33 H new ATOM 0 HA GLU B 27 -19.441 10.168 5.143 1.00 32.01 H new ATOM 0 HB2 GLU B 27 -21.199 11.769 5.110 1.00 1.11 H new ATOM 0 HB3 GLU B 27 -19.766 12.643 5.614 1.00 1.11 H new ATOM 0 HG2 GLU B 27 -20.375 14.142 4.042 1.00 54.15 H new ATOM 0 HG3 GLU B 27 -19.640 13.023 2.912 1.00 54.15 H new ATOM 1455 N GLY B 28 -19.222 10.766 1.958 1.00 35.14 N ATOM 1456 CA GLY B 28 -19.609 10.274 0.649 1.00 2.35 C ATOM 1457 C GLY B 28 -21.094 10.430 0.387 1.00 21.01 C ATOM 1458 O GLY B 28 -21.818 9.442 0.277 1.00 54.12 O ATOM 0 H GLY B 28 -18.450 11.433 1.954 1.00 35.14 H new ATOM 0 HA2 GLY B 28 -19.050 10.810 -0.117 1.00 2.35 H new ATOM 0 HA3 GLY B 28 -19.337 9.222 0.565 1.00 2.35 H new ATOM 1504 N GLY B 35 -22.168 8.736 9.126 1.00 0.55 N ATOM 1505 CA GLY B 35 -20.942 7.998 9.364 1.00 23.11 C ATOM 1506 C GLY B 35 -20.113 8.593 10.484 1.00 13.20 C ATOM 1507 O GLY B 35 -20.134 9.803 10.705 1.00 71.04 O ATOM 0 HA2 GLY B 35 -21.186 6.964 9.607 1.00 23.11 H new ATOM 0 HA3 GLY B 35 -20.350 7.979 8.449 1.00 23.11 H new ATOM 1511 N GLU B 36 -19.382 7.740 11.195 1.00 31.03 N ATOM 1512 CA GLU B 36 -18.545 8.190 12.302 1.00 23.14 C ATOM 1513 C GLU B 36 -17.410 9.079 11.799 1.00 44.13 C ATOM 1514 O GLU B 36 -16.927 9.954 12.519 1.00 63.30 O ATOM 1515 CB GLU B 36 -17.969 6.989 13.056 1.00 43.24 C ATOM 1516 CG GLU B 36 -16.913 7.364 14.082 1.00 71.01 C ATOM 1517 CD GLU B 36 -16.321 6.155 14.779 1.00 61.24 C ATOM 1518 OE1 GLU B 36 -16.933 5.676 15.757 1.00 24.03 O ATOM 1519 OE2 GLU B 36 -15.247 5.686 14.346 1.00 44.43 O ATOM 0 H GLU B 36 -19.352 6.735 11.025 1.00 31.03 H new ATOM 0 HA GLU B 36 -19.168 8.773 12.981 1.00 23.14 H new ATOM 0 HB2 GLU B 36 -18.781 6.463 13.558 1.00 43.24 H new ATOM 0 HB3 GLU B 36 -17.535 6.294 12.337 1.00 43.24 H new ATOM 0 HG2 GLU B 36 -16.116 7.921 13.590 1.00 71.01 H new ATOM 0 HG3 GLU B 36 -17.354 8.028 14.826 1.00 71.01 H new ATOM 1526 N LEU B 37 -16.991 8.849 10.560 1.00 42.04 N ATOM 1527 CA LEU B 37 -15.914 9.629 9.960 1.00 24.51 C ATOM 1528 C LEU B 37 -16.276 11.110 9.908 1.00 75.34 C ATOM 1529 O LEU B 37 -15.403 11.974 9.965 1.00 11.41 O ATOM 1530 CB LEU B 37 -15.612 9.116 8.550 1.00 11.52 C ATOM 1531 CG LEU B 37 -14.715 7.881 8.463 1.00 34.44 C ATOM 1532 CD1 LEU B 37 -13.364 8.156 9.104 1.00 21.13 C ATOM 1533 CD2 LEU B 37 -15.387 6.686 9.124 1.00 50.04 C ATOM 0 H LEU B 37 -17.380 8.129 9.951 1.00 42.04 H new ATOM 0 HA LEU B 37 -15.026 9.514 10.581 1.00 24.51 H new ATOM 0 HB2 LEU B 37 -16.557 8.889 8.057 1.00 11.52 H new ATOM 0 HB3 LEU B 37 -15.143 9.921 7.985 1.00 11.52 H new ATOM 0 HG LEU B 37 -14.554 7.646 7.411 1.00 34.44 H new ATOM 0 HD11 LEU B 37 -12.739 7.266 9.032 1.00 21.13 H new ATOM 0 HD12 LEU B 37 -12.878 8.983 8.587 1.00 21.13 H new ATOM 0 HD13 LEU B 37 -13.505 8.417 10.153 1.00 21.13 H new ATOM 0 HD21 LEU B 37 -14.734 5.816 9.053 1.00 50.04 H new ATOM 0 HD22 LEU B 37 -15.579 6.911 10.173 1.00 50.04 H new ATOM 0 HD23 LEU B 37 -16.330 6.474 8.620 1.00 50.04 H new ATOM 1545 N MET B 38 -17.570 11.393 9.800 1.00 54.34 N ATOM 1546 CA MET B 38 -18.048 12.770 9.744 1.00 14.21 C ATOM 1547 C MET B 38 -17.850 13.469 11.086 1.00 24.44 C ATOM 1548 O MET B 38 -17.397 14.612 11.141 1.00 22.12 O ATOM 1549 CB MET B 38 -19.527 12.803 9.353 1.00 24.30 C ATOM 1550 CG MET B 38 -20.151 14.185 9.454 1.00 43.22 C ATOM 1551 SD MET B 38 -21.798 14.259 8.725 1.00 54.20 S ATOM 1552 CE MET B 38 -21.396 14.573 7.008 1.00 13.23 C ATOM 0 H MET B 38 -18.306 10.688 9.750 1.00 54.34 H new ATOM 0 HA MET B 38 -17.467 13.300 8.989 1.00 14.21 H new ATOM 0 HB2 MET B 38 -19.632 12.439 8.331 1.00 24.30 H new ATOM 0 HB3 MET B 38 -20.079 12.116 9.994 1.00 24.30 H new ATOM 0 HG2 MET B 38 -20.209 14.477 10.502 1.00 43.22 H new ATOM 0 HG3 MET B 38 -19.505 14.908 8.956 1.00 43.22 H new ATOM 0 HE1 MET B 38 -21.751 15.564 6.726 1.00 13.23 H new ATOM 0 HE2 MET B 38 -20.316 14.523 6.872 1.00 13.23 H new ATOM 0 HE3 MET B 38 -21.876 13.823 6.379 1.00 13.23 H new ATOM 1562 N LYS B 39 -18.192 12.775 12.167 1.00 65.20 N ATOM 1563 CA LYS B 39 -18.051 13.328 13.508 1.00 24.34 C ATOM 1564 C LYS B 39 -16.595 13.290 13.961 1.00 12.15 C ATOM 1565 O LYS B 39 -16.155 14.132 14.746 1.00 11.42 O ATOM 1566 CB LYS B 39 -18.924 12.552 14.496 1.00 44.11 C ATOM 1567 CG LYS B 39 -18.517 11.098 14.655 1.00 55.54 C ATOM 1568 CD LYS B 39 -19.229 10.446 15.828 1.00 55.10 C ATOM 1569 CE LYS B 39 -18.261 9.667 16.706 1.00 32.52 C ATOM 1570 NZ LYS B 39 -18.752 8.290 16.988 1.00 30.41 N ATOM 0 H LYS B 39 -18.569 11.828 12.140 1.00 65.20 H new ATOM 0 HA LYS B 39 -18.378 14.367 13.482 1.00 24.34 H new ATOM 0 HB2 LYS B 39 -18.880 13.041 15.469 1.00 44.11 H new ATOM 0 HB3 LYS B 39 -19.961 12.596 14.164 1.00 44.11 H new ATOM 0 HG2 LYS B 39 -18.747 10.553 13.740 1.00 55.54 H new ATOM 0 HG3 LYS B 39 -17.439 11.035 14.802 1.00 55.54 H new ATOM 0 HD2 LYS B 39 -19.727 11.211 16.424 1.00 55.10 H new ATOM 0 HD3 LYS B 39 -20.005 9.776 15.457 1.00 55.10 H new ATOM 0 HE2 LYS B 39 -17.289 9.612 16.215 1.00 32.52 H new ATOM 0 HE3 LYS B 39 -18.114 10.200 17.646 1.00 32.52 H new ATOM 0 HZ1 LYS B 39 -17.981 7.723 17.395 1.00 30.41 H new ATOM 0 HZ2 LYS B 39 -19.542 8.335 17.662 1.00 30.41 H new ATOM 0 HZ3 LYS B 39 -19.076 7.849 16.104 1.00 30.41 H new ATOM 1584 N LEU B 40 -15.850 12.309 13.463 1.00 23.13 N ATOM 1585 CA LEU B 40 -14.441 12.162 13.815 1.00 51.32 C ATOM 1586 C LEU B 40 -13.603 13.267 13.181 1.00 1.12 C ATOM 1587 O LEU B 40 -12.621 13.728 13.766 1.00 63.42 O ATOM 1588 CB LEU B 40 -13.924 10.794 13.369 1.00 40.32 C ATOM 1589 CG LEU B 40 -13.630 9.791 14.486 1.00 42.32 C ATOM 1590 CD1 LEU B 40 -12.403 10.218 15.277 1.00 24.42 C ATOM 1591 CD2 LEU B 40 -14.834 9.646 15.404 1.00 43.54 C ATOM 0 H LEU B 40 -16.198 11.603 12.814 1.00 23.13 H new ATOM 0 HA LEU B 40 -14.352 12.241 14.899 1.00 51.32 H new ATOM 0 HB2 LEU B 40 -14.658 10.352 12.695 1.00 40.32 H new ATOM 0 HB3 LEU B 40 -13.011 10.943 12.792 1.00 40.32 H new ATOM 0 HG LEU B 40 -13.426 8.821 14.032 1.00 42.32 H new ATOM 0 HD11 LEU B 40 -12.209 9.493 16.067 1.00 24.42 H new ATOM 0 HD12 LEU B 40 -11.541 10.269 14.612 1.00 24.42 H new ATOM 0 HD13 LEU B 40 -12.578 11.199 15.720 1.00 24.42 H new ATOM 0 HD21 LEU B 40 -14.606 8.929 16.192 1.00 43.54 H new ATOM 0 HD22 LEU B 40 -15.070 10.612 15.850 1.00 43.54 H new ATOM 0 HD23 LEU B 40 -15.690 9.293 14.829 1.00 43.54 H new ATOM 1603 N CYS B 41 -13.997 13.690 11.985 1.00 74.21 N ATOM 1604 CA CYS B 41 -13.283 14.742 11.272 1.00 70.12 C ATOM 1605 C CYS B 41 -13.553 16.105 11.901 1.00 0.01 C ATOM 1606 O CYS B 41 -12.634 16.898 12.106 1.00 61.23 O ATOM 1607 CB CYS B 41 -13.692 14.757 9.799 1.00 40.31 C ATOM 1608 SG CYS B 41 -12.978 16.120 8.848 1.00 63.21 S ATOM 0 H CYS B 41 -14.808 13.320 11.489 1.00 74.21 H new ATOM 0 HA CYS B 41 -12.215 14.534 11.343 1.00 70.12 H new ATOM 0 HB2 CYS B 41 -13.395 13.814 9.341 1.00 40.31 H new ATOM 0 HB3 CYS B 41 -14.779 14.814 9.735 1.00 40.31 H new ATOM 0 HG CYS B 41 -11.681 16.066 8.919 1.00 63.21 H new ATOM 1614 N GLU B 42 -14.819 16.371 12.205 1.00 63.03 N ATOM 1615 CA GLU B 42 -15.210 17.639 12.809 1.00 61.00 C ATOM 1616 C GLU B 42 -14.403 17.910 14.075 1.00 12.41 C ATOM 1617 O GLU B 42 -14.153 19.062 14.429 1.00 50.41 O ATOM 1618 CB GLU B 42 -16.705 17.636 13.134 1.00 23.03 C ATOM 1619 CG GLU B 42 -17.250 19.004 13.507 1.00 2.10 C ATOM 1620 CD GLU B 42 -18.758 19.009 13.663 1.00 1.33 C ATOM 1621 OE1 GLU B 42 -19.239 18.724 14.780 1.00 2.01 O ATOM 1622 OE2 GLU B 42 -19.457 19.298 12.669 1.00 74.42 O ATOM 0 H GLU B 42 -15.592 15.725 12.043 1.00 63.03 H new ATOM 0 HA GLU B 42 -15.004 18.433 12.091 1.00 61.00 H new ATOM 0 HB2 GLU B 42 -17.255 17.258 12.272 1.00 23.03 H new ATOM 0 HB3 GLU B 42 -16.888 16.945 13.957 1.00 23.03 H new ATOM 0 HG2 GLU B 42 -16.791 19.332 14.440 1.00 2.10 H new ATOM 0 HG3 GLU B 42 -16.965 19.725 12.741 1.00 2.10 H new ATOM 1629 N GLU B 43 -13.999 16.841 14.753 1.00 73.22 N ATOM 1630 CA GLU B 43 -13.223 16.963 15.981 1.00 31.54 C ATOM 1631 C GLU B 43 -12.007 17.860 15.768 1.00 41.02 C ATOM 1632 O GLU B 43 -11.608 18.606 16.662 1.00 72.12 O ATOM 1633 CB GLU B 43 -12.773 15.583 16.466 1.00 12.20 C ATOM 1634 CG GLU B 43 -13.202 15.269 17.889 1.00 20.52 C ATOM 1635 CD GLU B 43 -12.025 15.104 18.831 1.00 0.01 C ATOM 1636 OE1 GLU B 43 -11.192 16.032 18.906 1.00 74.52 O ATOM 1637 OE2 GLU B 43 -11.936 14.048 19.491 1.00 14.33 O ATOM 0 H GLU B 43 -14.196 15.880 14.473 1.00 73.22 H new ATOM 0 HA GLU B 43 -13.860 17.417 16.740 1.00 31.54 H new ATOM 0 HB2 GLU B 43 -13.177 14.823 15.797 1.00 12.20 H new ATOM 0 HB3 GLU B 43 -11.687 15.521 16.401 1.00 12.20 H new ATOM 0 HG2 GLU B 43 -13.846 16.069 18.255 1.00 20.52 H new ATOM 0 HG3 GLU B 43 -13.796 14.355 17.892 1.00 20.52 H new ATOM 1644 N ALA B 44 -11.422 17.782 14.577 1.00 11.32 N ATOM 1645 CA ALA B 44 -10.253 18.587 14.245 1.00 50.14 C ATOM 1646 C ALA B 44 -10.572 20.076 14.326 1.00 1.42 C ATOM 1647 O ALA B 44 -9.843 20.844 14.954 1.00 22.22 O ATOM 1648 CB ALA B 44 -9.742 18.229 12.858 1.00 60.22 C ATOM 0 H ALA B 44 -11.739 17.169 13.826 1.00 11.32 H new ATOM 0 HA ALA B 44 -9.473 18.369 14.974 1.00 50.14 H new ATOM 0 HB1 ALA B 44 -8.869 18.838 12.624 1.00 60.22 H new ATOM 0 HB2 ALA B 44 -9.466 17.175 12.833 1.00 60.22 H new ATOM 0 HB3 ALA B 44 -10.524 18.417 12.122 1.00 60.22 H new ATOM 1654 N ALA B 45 -11.665 20.478 13.685 1.00 13.44 N ATOM 1655 CA ALA B 45 -12.081 21.876 13.687 1.00 71.40 C ATOM 1656 C ALA B 45 -12.625 22.285 15.051 1.00 41.53 C ATOM 1657 O ALA B 45 -12.597 23.462 15.414 1.00 33.20 O ATOM 1658 CB ALA B 45 -13.124 22.116 12.606 1.00 1.20 C ATOM 0 H ALA B 45 -12.278 19.856 13.158 1.00 13.44 H new ATOM 0 HA ALA B 45 -11.206 22.491 13.476 1.00 71.40 H new ATOM 0 HB1 ALA B 45 -13.426 23.163 12.618 1.00 1.20 H new ATOM 0 HB2 ALA B 45 -12.701 21.872 11.632 1.00 1.20 H new ATOM 0 HB3 ALA B 45 -13.993 21.485 12.793 1.00 1.20 H new ATOM 1664 N LYS B 46 -13.121 21.309 15.803 1.00 51.14 N ATOM 1665 CA LYS B 46 -13.673 21.567 17.127 1.00 0.23 C ATOM 1666 C LYS B 46 -12.621 22.184 18.043 1.00 11.32 C ATOM 1667 O LYS B 46 -12.853 23.224 18.661 1.00 32.45 O ATOM 1668 CB LYS B 46 -14.203 20.271 17.743 1.00 13.11 C ATOM 1669 CG LYS B 46 -15.538 20.434 18.449 1.00 43.30 C ATOM 1670 CD LYS B 46 -15.722 19.394 19.541 1.00 74.10 C ATOM 1671 CE LYS B 46 -17.190 19.211 19.894 1.00 53.15 C ATOM 1672 NZ LYS B 46 -17.626 20.151 20.964 1.00 62.53 N ATOM 0 H LYS B 46 -13.152 20.330 15.517 1.00 51.14 H new ATOM 0 HA LYS B 46 -14.496 22.273 17.019 1.00 0.23 H new ATOM 0 HB2 LYS B 46 -14.306 19.521 16.959 1.00 13.11 H new ATOM 0 HB3 LYS B 46 -13.470 19.890 18.454 1.00 13.11 H new ATOM 0 HG2 LYS B 46 -15.602 21.432 18.882 1.00 43.30 H new ATOM 0 HG3 LYS B 46 -16.347 20.348 17.724 1.00 43.30 H new ATOM 0 HD2 LYS B 46 -15.304 18.442 19.213 1.00 74.10 H new ATOM 0 HD3 LYS B 46 -15.168 19.696 20.430 1.00 74.10 H new ATOM 0 HE2 LYS B 46 -17.799 19.367 19.004 1.00 53.15 H new ATOM 0 HE3 LYS B 46 -17.359 18.185 20.221 1.00 53.15 H new ATOM 0 HZ1 LYS B 46 -18.632 19.994 21.175 1.00 62.53 H new ATOM 0 HZ2 LYS B 46 -17.062 19.986 21.822 1.00 62.53 H new ATOM 0 HZ3 LYS B 46 -17.489 21.131 20.643 1.00 62.53 H new ATOM 1686 N LYS B 47 -11.463 21.538 18.126 1.00 21.23 N ATOM 1687 CA LYS B 47 -10.373 22.024 18.964 1.00 13.23 C ATOM 1688 C LYS B 47 -10.065 23.487 18.662 1.00 14.20 C ATOM 1689 O LYS B 47 -9.633 24.234 19.539 1.00 3.14 O ATOM 1690 CB LYS B 47 -9.119 21.173 18.751 1.00 2.22 C ATOM 1691 CG LYS B 47 -9.341 19.691 18.993 1.00 23.41 C ATOM 1692 CD LYS B 47 -8.282 19.112 19.915 1.00 22.23 C ATOM 1693 CE LYS B 47 -8.245 17.592 19.838 1.00 43.42 C ATOM 1694 NZ LYS B 47 -7.838 16.981 21.133 1.00 1.04 N ATOM 0 H LYS B 47 -11.255 20.676 17.623 1.00 21.23 H new ATOM 0 HA LYS B 47 -10.686 21.944 20.005 1.00 13.23 H new ATOM 0 HB2 LYS B 47 -8.762 21.316 17.731 1.00 2.22 H new ATOM 0 HB3 LYS B 47 -8.332 21.527 19.417 1.00 2.22 H new ATOM 0 HG2 LYS B 47 -10.328 19.536 19.429 1.00 23.41 H new ATOM 0 HG3 LYS B 47 -9.326 19.160 18.041 1.00 23.41 H new ATOM 0 HD2 LYS B 47 -7.305 19.515 19.647 1.00 22.23 H new ATOM 0 HD3 LYS B 47 -8.483 19.420 20.941 1.00 22.23 H new ATOM 0 HE2 LYS B 47 -9.229 17.219 19.554 1.00 43.42 H new ATOM 0 HE3 LYS B 47 -7.550 17.285 19.057 1.00 43.42 H new ATOM 0 HZ1 LYS B 47 -7.825 15.945 21.039 1.00 1.04 H new ATOM 0 HZ2 LYS B 47 -6.889 17.317 21.392 1.00 1.04 H new ATOM 0 HZ3 LYS B 47 -8.516 17.253 21.873 1.00 1.04 H new ATOM 1708 N ALA B 48 -10.292 23.890 17.416 1.00 55.30 N ATOM 1709 CA ALA B 48 -10.042 25.265 17.000 1.00 75.41 C ATOM 1710 C ALA B 48 -11.075 26.215 17.597 1.00 43.15 C ATOM 1711 O ALA B 48 -10.755 27.348 17.954 1.00 64.12 O ATOM 1712 CB ALA B 48 -10.045 25.365 15.482 1.00 32.21 C ATOM 0 H ALA B 48 -10.649 23.284 16.677 1.00 55.30 H new ATOM 0 HA ALA B 48 -9.060 25.559 17.371 1.00 75.41 H new ATOM 0 HB1 ALA B 48 -9.857 26.397 15.185 1.00 32.21 H new ATOM 0 HB2 ALA B 48 -9.265 24.722 15.073 1.00 32.21 H new ATOM 0 HB3 ALA B 48 -11.015 25.048 15.098 1.00 32.21 H new ATOM 1718 N GLU B 49 -12.314 25.745 17.701 1.00 44.15 N ATOM 1719 CA GLU B 49 -13.393 26.556 18.252 1.00 54.11 C ATOM 1720 C GLU B 49 -13.235 26.718 19.762 1.00 65.22 C ATOM 1721 O GLU B 49 -13.589 27.753 20.325 1.00 1.43 O ATOM 1722 CB GLU B 49 -14.750 25.922 17.936 1.00 75.12 C ATOM 1723 CG GLU B 49 -15.782 26.915 17.430 1.00 52.44 C ATOM 1724 CD GLU B 49 -17.103 26.256 17.080 1.00 24.22 C ATOM 1725 OE1 GLU B 49 -17.278 25.869 15.906 1.00 63.43 O ATOM 1726 OE2 GLU B 49 -17.959 26.128 17.978 1.00 51.11 O ATOM 0 H GLU B 49 -12.595 24.808 17.411 1.00 44.15 H new ATOM 0 HA GLU B 49 -13.344 27.542 17.790 1.00 54.11 H new ATOM 0 HB2 GLU B 49 -14.612 25.142 17.188 1.00 75.12 H new ATOM 0 HB3 GLU B 49 -15.134 25.438 18.834 1.00 75.12 H new ATOM 0 HG2 GLU B 49 -15.951 27.677 18.191 1.00 52.44 H new ATOM 0 HG3 GLU B 49 -15.390 27.424 16.550 1.00 52.44 H new ATOM 1733 N GLU B 50 -12.701 25.687 20.409 1.00 53.23 N ATOM 1734 CA GLU B 50 -12.497 25.715 21.852 1.00 12.54 C ATOM 1735 C GLU B 50 -11.262 26.536 22.211 1.00 31.52 C ATOM 1736 O GLU B 50 -11.209 27.171 23.265 1.00 15.31 O ATOM 1737 CB GLU B 50 -12.354 24.292 22.397 1.00 12.40 C ATOM 1738 CG GLU B 50 -13.661 23.516 22.423 1.00 64.10 C ATOM 1739 CD GLU B 50 -13.569 22.248 23.248 1.00 52.03 C ATOM 1740 OE1 GLU B 50 -12.454 21.701 23.373 1.00 22.13 O ATOM 1741 OE2 GLU B 50 -14.613 21.802 23.769 1.00 55.30 O ATOM 0 H GLU B 50 -12.402 24.823 19.957 1.00 53.23 H new ATOM 0 HA GLU B 50 -13.369 26.185 22.308 1.00 12.54 H new ATOM 0 HB2 GLU B 50 -11.631 23.749 21.788 1.00 12.40 H new ATOM 0 HB3 GLU B 50 -11.948 24.338 23.408 1.00 12.40 H new ATOM 0 HG2 GLU B 50 -14.449 24.152 22.827 1.00 64.10 H new ATOM 0 HG3 GLU B 50 -13.949 23.261 21.403 1.00 64.10 H new ATOM 1748 N LEU B 51 -10.269 26.515 21.329 1.00 3.34 N ATOM 1749 CA LEU B 51 -9.032 27.257 21.551 1.00 10.50 C ATOM 1750 C LEU B 51 -9.264 28.758 21.411 1.00 63.12 C ATOM 1751 O LEU B 51 -8.570 29.564 22.030 1.00 11.41 O ATOM 1752 CB LEU B 51 -7.957 26.801 20.564 1.00 14.04 C ATOM 1753 CG LEU B 51 -6.795 26.002 21.158 1.00 43.41 C ATOM 1754 CD1 LEU B 51 -6.061 26.827 22.205 1.00 63.42 C ATOM 1755 CD2 LEU B 51 -7.298 24.698 21.759 1.00 13.04 C ATOM 0 H LEU B 51 -10.296 25.992 20.453 1.00 3.34 H new ATOM 0 HA LEU B 51 -8.693 27.054 22.567 1.00 10.50 H new ATOM 0 HB2 LEU B 51 -8.433 26.194 19.794 1.00 14.04 H new ATOM 0 HB3 LEU B 51 -7.550 27.682 20.068 1.00 14.04 H new ATOM 0 HG LEU B 51 -6.095 25.763 20.357 1.00 43.41 H new ATOM 0 HD11 LEU B 51 -5.238 26.243 22.617 1.00 63.42 H new ATOM 0 HD12 LEU B 51 -5.668 27.733 21.744 1.00 63.42 H new ATOM 0 HD13 LEU B 51 -6.751 27.096 23.005 1.00 63.42 H new ATOM 0 HD21 LEU B 51 -6.459 24.142 22.177 1.00 13.04 H new ATOM 0 HD22 LEU B 51 -8.018 24.915 22.548 1.00 13.04 H new ATOM 0 HD23 LEU B 51 -7.778 24.101 20.983 1.00 13.04 H new ATOM 1767 N PHE B 52 -10.246 29.126 20.595 1.00 63.31 N ATOM 1768 CA PHE B 52 -10.571 30.531 20.374 1.00 64.34 C ATOM 1769 C PHE B 52 -10.795 31.252 21.699 1.00 5.25 C ATOM 1770 O PHE B 52 -10.485 32.436 21.835 1.00 74.32 O ATOM 1771 CB PHE B 52 -11.817 30.655 19.495 1.00 53.31 C ATOM 1772 CG PHE B 52 -11.678 31.670 18.397 1.00 3.21 C ATOM 1773 CD1 PHE B 52 -12.551 32.742 18.310 1.00 74.20 C ATOM 1774 CD2 PHE B 52 -10.673 31.551 17.449 1.00 55.42 C ATOM 1775 CE1 PHE B 52 -12.425 33.678 17.301 1.00 61.34 C ATOM 1776 CE2 PHE B 52 -10.542 32.484 16.438 1.00 31.15 C ATOM 1777 CZ PHE B 52 -11.419 33.547 16.363 1.00 43.25 C ATOM 0 H PHE B 52 -10.831 28.471 20.076 1.00 63.31 H new ATOM 0 HA PHE B 52 -9.728 30.998 19.865 1.00 64.34 H new ATOM 0 HB2 PHE B 52 -12.039 29.683 19.054 1.00 53.31 H new ATOM 0 HB3 PHE B 52 -12.668 30.923 20.121 1.00 53.31 H new ATOM 0 HD1 PHE B 52 -13.340 32.848 19.040 1.00 74.20 H new ATOM 0 HD2 PHE B 52 -9.985 30.720 17.501 1.00 55.42 H new ATOM 0 HE1 PHE B 52 -13.111 34.510 17.246 1.00 61.34 H new ATOM 0 HE2 PHE B 52 -9.754 32.381 15.707 1.00 31.15 H new ATOM 0 HZ PHE B 52 -11.319 34.276 15.572 1.00 43.25 H new ATOM 1787 N LYS B 53 -11.335 30.530 22.675 1.00 51.12 N ATOM 1788 CA LYS B 53 -11.600 31.098 23.991 1.00 44.24 C ATOM 1789 C LYS B 53 -10.319 31.632 24.622 1.00 1.50 C ATOM 1790 O LYS B 53 -10.266 32.778 25.071 1.00 45.20 O ATOM 1791 CB LYS B 53 -12.232 30.046 24.906 1.00 0.11 C ATOM 1792 CG LYS B 53 -13.481 30.532 25.620 1.00 54.00 C ATOM 1793 CD LYS B 53 -13.144 31.203 26.941 1.00 22.04 C ATOM 1794 CE LYS B 53 -14.394 31.713 27.642 1.00 12.53 C ATOM 1795 NZ LYS B 53 -14.477 31.228 29.048 1.00 50.23 N ATOM 0 H LYS B 53 -11.598 29.549 22.579 1.00 51.12 H new ATOM 0 HA LYS B 53 -12.296 31.928 23.867 1.00 44.24 H new ATOM 0 HB2 LYS B 53 -12.481 29.165 24.315 1.00 0.11 H new ATOM 0 HB3 LYS B 53 -11.497 29.734 25.648 1.00 0.11 H new ATOM 0 HG2 LYS B 53 -14.016 31.234 24.981 1.00 54.00 H new ATOM 0 HG3 LYS B 53 -14.150 29.690 25.799 1.00 54.00 H new ATOM 0 HD2 LYS B 53 -12.626 30.495 27.588 1.00 22.04 H new ATOM 0 HD3 LYS B 53 -12.460 32.033 26.765 1.00 22.04 H new ATOM 0 HE2 LYS B 53 -14.397 32.803 27.633 1.00 12.53 H new ATOM 0 HE3 LYS B 53 -15.277 31.387 27.093 1.00 12.53 H new ATOM 0 HZ1 LYS B 53 -15.342 31.597 29.492 1.00 50.23 H new ATOM 0 HZ2 LYS B 53 -14.500 30.188 29.056 1.00 50.23 H new ATOM 0 HZ3 LYS B 53 -13.647 31.560 29.579 1.00 50.23 H new ATOM 1809 N LEU B 54 -9.286 30.798 24.651 1.00 61.34 N ATOM 1810 CA LEU B 54 -8.003 31.186 25.226 1.00 44.25 C ATOM 1811 C LEU B 54 -7.253 32.131 24.292 1.00 52.25 C ATOM 1812 O LEU B 54 -6.652 33.111 24.735 1.00 75.14 O ATOM 1813 CB LEU B 54 -7.152 29.948 25.508 1.00 63.41 C ATOM 1814 CG LEU B 54 -7.267 29.361 26.914 1.00 34.24 C ATOM 1815 CD1 LEU B 54 -6.689 30.322 27.942 1.00 72.11 C ATOM 1816 CD2 LEU B 54 -8.717 29.035 27.241 1.00 40.11 C ATOM 0 H LEU B 54 -9.312 29.847 24.282 1.00 61.34 H new ATOM 0 HA LEU B 54 -8.195 31.707 26.164 1.00 44.25 H new ATOM 0 HB2 LEU B 54 -7.423 29.174 24.790 1.00 63.41 H new ATOM 0 HB3 LEU B 54 -6.107 30.201 25.326 1.00 63.41 H new ATOM 0 HG LEU B 54 -6.692 28.435 26.948 1.00 34.24 H new ATOM 0 HD11 LEU B 54 -6.779 29.887 28.938 1.00 72.11 H new ATOM 0 HD12 LEU B 54 -5.638 30.504 27.719 1.00 72.11 H new ATOM 0 HD13 LEU B 54 -7.235 31.265 27.907 1.00 72.11 H new ATOM 0 HD21 LEU B 54 -8.778 28.618 28.246 1.00 40.11 H new ATOM 0 HD22 LEU B 54 -9.315 29.945 27.188 1.00 40.11 H new ATOM 0 HD23 LEU B 54 -9.097 28.308 26.523 1.00 40.11 H new ATOM 1828 N ALA B 55 -7.293 31.832 22.998 1.00 54.31 N ATOM 1829 CA ALA B 55 -6.621 32.657 22.002 1.00 71.15 C ATOM 1830 C ALA B 55 -7.025 34.121 22.139 1.00 63.01 C ATOM 1831 O ALA B 55 -6.251 35.020 21.813 1.00 53.21 O ATOM 1832 CB ALA B 55 -6.932 32.150 20.601 1.00 4.44 C ATOM 0 H ALA B 55 -7.784 31.024 22.615 1.00 54.31 H new ATOM 0 HA ALA B 55 -5.547 32.587 22.172 1.00 71.15 H new ATOM 0 HB1 ALA B 55 -6.424 32.775 19.867 1.00 4.44 H new ATOM 0 HB2 ALA B 55 -6.588 31.121 20.502 1.00 4.44 H new ATOM 0 HB3 ALA B 55 -8.008 32.191 20.430 1.00 4.44 H new ATOM 1838 N GLU B 56 -8.242 34.352 22.622 1.00 51.05 N ATOM 1839 CA GLU B 56 -8.748 35.708 22.800 1.00 22.32 C ATOM 1840 C GLU B 56 -7.994 36.429 23.914 1.00 63.55 C ATOM 1841 O GLU B 56 -7.616 37.591 23.770 1.00 22.11 O ATOM 1842 CB GLU B 56 -10.245 35.681 23.117 1.00 60.30 C ATOM 1843 CG GLU B 56 -11.059 36.669 22.298 1.00 22.23 C ATOM 1844 CD GLU B 56 -12.508 36.738 22.740 1.00 13.23 C ATOM 1845 OE1 GLU B 56 -12.775 37.343 23.800 1.00 34.01 O ATOM 1846 OE2 GLU B 56 -13.373 36.189 22.028 1.00 3.11 O ATOM 0 H GLU B 56 -8.895 33.618 22.897 1.00 51.05 H new ATOM 0 HA GLU B 56 -8.591 36.251 21.868 1.00 22.32 H new ATOM 0 HB2 GLU B 56 -10.627 34.675 22.942 1.00 60.30 H new ATOM 0 HB3 GLU B 56 -10.387 35.896 24.176 1.00 60.30 H new ATOM 0 HG2 GLU B 56 -10.611 37.659 22.379 1.00 22.23 H new ATOM 0 HG3 GLU B 56 -11.017 36.385 21.246 1.00 22.23 H new ATOM 1853 N GLU B 57 -7.781 35.729 25.023 1.00 34.15 N ATOM 1854 CA GLU B 57 -7.073 36.302 26.163 1.00 41.01 C ATOM 1855 C GLU B 57 -5.614 36.582 25.813 1.00 53.14 C ATOM 1856 O GLU B 57 -4.976 37.449 26.411 1.00 72.32 O ATOM 1857 CB GLU B 57 -7.150 35.360 27.366 1.00 4.25 C ATOM 1858 CG GLU B 57 -8.140 35.807 28.428 1.00 63.12 C ATOM 1859 CD GLU B 57 -8.317 34.780 29.529 1.00 14.52 C ATOM 1860 OE1 GLU B 57 -8.134 33.576 29.253 1.00 5.14 O ATOM 1861 OE2 GLU B 57 -8.638 35.180 30.668 1.00 45.25 O ATOM 0 H GLU B 57 -8.088 34.766 25.157 1.00 34.15 H new ATOM 0 HA GLU B 57 -7.554 37.246 26.420 1.00 41.01 H new ATOM 0 HB2 GLU B 57 -7.427 34.364 27.020 1.00 4.25 H new ATOM 0 HB3 GLU B 57 -6.161 35.277 27.816 1.00 4.25 H new ATOM 0 HG2 GLU B 57 -7.800 36.747 28.864 1.00 63.12 H new ATOM 0 HG3 GLU B 57 -9.105 36.003 27.960 1.00 63.12 H new ATOM 1868 N ARG B 58 -5.093 35.841 24.841 1.00 41.11 N ATOM 1869 CA ARG B 58 -3.709 36.006 24.412 1.00 41.31 C ATOM 1870 C ARG B 58 -3.602 37.068 23.321 1.00 12.41 C ATOM 1871 O ARG B 58 -2.623 37.814 23.261 1.00 10.42 O ATOM 1872 CB ARG B 58 -3.148 34.678 23.901 1.00 54.15 C ATOM 1873 CG ARG B 58 -3.379 33.514 24.851 1.00 55.23 C ATOM 1874 CD ARG B 58 -3.018 32.186 24.204 1.00 13.44 C ATOM 1875 NE ARG B 58 -2.897 31.113 25.189 1.00 43.13 N ATOM 1876 CZ ARG B 58 -2.566 29.865 24.877 1.00 4.14 C ATOM 1877 NH1 ARG B 58 -2.321 29.535 23.616 1.00 41.03 N ATOM 1878 NH2 ARG B 58 -2.476 28.945 25.828 1.00 73.21 N ATOM 0 H ARG B 58 -5.608 35.120 24.335 1.00 41.11 H new ATOM 0 HA ARG B 58 -3.125 36.332 25.273 1.00 41.31 H new ATOM 0 HB2 ARG B 58 -3.604 34.447 22.939 1.00 54.15 H new ATOM 0 HB3 ARG B 58 -2.077 34.788 23.728 1.00 54.15 H new ATOM 0 HG2 ARG B 58 -2.782 33.655 25.752 1.00 55.23 H new ATOM 0 HG3 ARG B 58 -4.424 33.497 25.160 1.00 55.23 H new ATOM 0 HD2 ARG B 58 -3.780 31.921 23.471 1.00 13.44 H new ATOM 0 HD3 ARG B 58 -2.077 32.290 23.663 1.00 13.44 H new ATOM 0 HE ARG B 58 -3.076 31.334 26.168 1.00 43.13 H new ATOM 0 HH11 ARG B 58 -2.386 30.240 22.882 1.00 41.03 H new ATOM 0 HH12 ARG B 58 -2.067 28.576 23.380 1.00 41.03 H new ATOM 0 HH21 ARG B 58 -2.661 29.196 26.799 1.00 73.21 H new ATOM 0 HH22 ARG B 58 -2.222 27.987 25.588 1.00 73.21 H new ATOM 1892 N LEU B 59 -4.613 37.131 22.462 1.00 22.22 N ATOM 1893 CA LEU B 59 -4.632 38.102 21.373 1.00 32.01 C ATOM 1894 C LEU B 59 -5.425 39.344 21.765 1.00 40.53 C ATOM 1895 O LEU B 59 -5.939 40.062 20.907 1.00 5.44 O ATOM 1896 CB LEU B 59 -5.234 37.474 20.115 1.00 11.30 C ATOM 1897 CG LEU B 59 -4.283 36.632 19.264 1.00 31.34 C ATOM 1898 CD1 LEU B 59 -4.115 35.245 19.865 1.00 4.41 C ATOM 1899 CD2 LEU B 59 -4.790 36.538 17.833 1.00 63.42 C ATOM 0 H LEU B 59 -5.430 36.522 22.498 1.00 22.22 H new ATOM 0 HA LEU B 59 -3.604 38.400 21.167 1.00 32.01 H new ATOM 0 HB2 LEU B 59 -6.075 36.847 20.413 1.00 11.30 H new ATOM 0 HB3 LEU B 59 -5.637 38.272 19.492 1.00 11.30 H new ATOM 0 HG LEU B 59 -3.308 37.120 19.251 1.00 31.34 H new ATOM 0 HD11 LEU B 59 -3.435 34.660 19.246 1.00 4.41 H new ATOM 0 HD12 LEU B 59 -3.706 35.332 20.871 1.00 4.41 H new ATOM 0 HD13 LEU B 59 -5.084 34.748 19.909 1.00 4.41 H new ATOM 0 HD21 LEU B 59 -4.101 35.935 17.242 1.00 63.42 H new ATOM 0 HD22 LEU B 59 -5.776 36.074 17.826 1.00 63.42 H new ATOM 0 HD23 LEU B 59 -4.857 37.538 17.404 1.00 63.42 H new