USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 450 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 Set 1.1: A 18 CYS SG : rot 111:sc= 1.02 USER MOD Set 1.2: A 67 CYS SG : rot 77:sc= 1.1 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0536) USER MOD Single : A 16 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0489 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0103) USER MOD Single : A 68 GLN : amide:sc= -0.277 K(o=-0.28,f=-0.87) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 5.504 4.740 -2.079 1.00 71.51 N ATOM 26 CA SER A 3 6.147 5.426 -3.194 1.00 34.14 C ATOM 27 C SER A 3 7.025 4.465 -3.990 1.00 11.35 C ATOM 28 O SER A 3 8.019 4.871 -4.592 1.00 73.33 O ATOM 29 CB SER A 3 6.986 6.598 -2.682 1.00 44.02 C ATOM 30 OG SER A 3 6.972 7.676 -3.602 1.00 73.33 O ATOM 0 HA SER A 3 5.367 5.807 -3.853 1.00 34.14 H new ATOM 0 HB2 SER A 3 6.600 6.933 -1.719 1.00 44.02 H new ATOM 0 HB3 SER A 3 8.012 6.270 -2.517 1.00 44.02 H new ATOM 0 HG SER A 3 7.514 8.413 -3.251 1.00 73.33 H new ATOM 36 N TRP A 4 6.651 3.191 -3.986 1.00 55.21 N ATOM 37 CA TRP A 4 7.404 2.172 -4.708 1.00 33.44 C ATOM 38 C TRP A 4 7.082 2.209 -6.197 1.00 53.24 C ATOM 39 O TRP A 4 7.959 2.006 -7.037 1.00 13.25 O ATOM 40 CB TRP A 4 7.095 0.784 -4.141 1.00 45.55 C ATOM 41 CG TRP A 4 7.495 -0.333 -5.057 1.00 2.02 C ATOM 42 CD1 TRP A 4 6.780 -0.824 -6.111 1.00 72.42 C ATOM 43 CD2 TRP A 4 8.704 -1.099 -4.997 1.00 55.35 C ATOM 44 NE1 TRP A 4 7.471 -1.850 -6.711 1.00 14.31 N ATOM 45 CE2 TRP A 4 8.654 -2.037 -6.047 1.00 41.21 C ATOM 46 CE3 TRP A 4 9.823 -1.082 -4.161 1.00 41.15 C ATOM 47 CZ2 TRP A 4 9.681 -2.948 -6.279 1.00 72.15 C ATOM 48 CZ3 TRP A 4 10.841 -1.987 -4.393 1.00 61.22 C ATOM 49 CH2 TRP A 4 10.765 -2.909 -5.445 1.00 70.44 C ATOM 0 H TRP A 4 5.831 2.839 -3.491 1.00 55.21 H new ATOM 0 HA TRP A 4 8.466 2.382 -4.580 1.00 33.44 H new ATOM 0 HB2 TRP A 4 7.611 0.665 -3.188 1.00 45.55 H new ATOM 0 HB3 TRP A 4 6.027 0.712 -3.937 1.00 45.55 H new ATOM 0 HD1 TRP A 4 5.814 -0.460 -6.427 1.00 72.42 H new ATOM 0 HE1 TRP A 4 7.154 -2.385 -7.519 1.00 14.31 H new ATOM 0 HE3 TRP A 4 9.891 -0.374 -3.348 1.00 41.15 H new ATOM 0 HZ2 TRP A 4 9.624 -3.660 -7.089 1.00 72.15 H new ATOM 0 HZ3 TRP A 4 11.710 -1.984 -3.752 1.00 61.22 H new ATOM 0 HH2 TRP A 4 11.578 -3.603 -5.601 1.00 70.44 H new ATOM 60 N ALA A 5 5.819 2.470 -6.519 1.00 50.42 N ATOM 61 CA ALA A 5 5.383 2.537 -7.908 1.00 73.34 C ATOM 62 C ALA A 5 6.207 3.551 -8.695 1.00 34.43 C ATOM 63 O ALA A 5 6.718 3.246 -9.772 1.00 2.04 O ATOM 64 CB ALA A 5 3.904 2.886 -7.981 1.00 35.21 C ATOM 0 H ALA A 5 5.080 2.638 -5.836 1.00 50.42 H new ATOM 0 HA ALA A 5 5.537 1.556 -8.358 1.00 73.34 H new ATOM 0 HB1 ALA A 5 3.592 2.933 -9.024 1.00 35.21 H new ATOM 0 HB2 ALA A 5 3.324 2.122 -7.463 1.00 35.21 H new ATOM 0 HB3 ALA A 5 3.735 3.853 -7.508 1.00 35.21 H new ATOM 70 N GLU A 6 6.330 4.757 -8.149 1.00 72.34 N ATOM 71 CA GLU A 6 7.091 5.815 -8.802 1.00 51.43 C ATOM 72 C GLU A 6 8.546 5.399 -8.997 1.00 71.32 C ATOM 73 O GLU A 6 9.079 5.464 -10.105 1.00 72.42 O ATOM 74 CB GLU A 6 7.024 7.104 -7.980 1.00 32.13 C ATOM 75 CG GLU A 6 5.929 8.057 -8.430 1.00 23.04 C ATOM 76 CD GLU A 6 5.027 8.489 -7.290 1.00 72.51 C ATOM 77 OE1 GLU A 6 5.476 9.295 -6.449 1.00 63.50 O ATOM 78 OE2 GLU A 6 3.870 8.020 -7.240 1.00 62.31 O ATOM 0 H GLU A 6 5.913 5.025 -7.258 1.00 72.34 H new ATOM 0 HA GLU A 6 6.648 5.993 -9.782 1.00 51.43 H new ATOM 0 HB2 GLU A 6 6.864 6.849 -6.932 1.00 32.13 H new ATOM 0 HB3 GLU A 6 7.985 7.614 -8.041 1.00 32.13 H new ATOM 0 HG2 GLU A 6 6.383 8.938 -8.883 1.00 23.04 H new ATOM 0 HG3 GLU A 6 5.328 7.576 -9.202 1.00 23.04 H new ATOM 85 N PHE A 7 9.183 4.971 -7.912 1.00 41.13 N ATOM 86 CA PHE A 7 10.577 4.545 -7.962 1.00 72.04 C ATOM 87 C PHE A 7 10.754 3.377 -8.928 1.00 41.13 C ATOM 88 O PHE A 7 11.794 3.242 -9.573 1.00 61.22 O ATOM 89 CB PHE A 7 11.061 4.145 -6.567 1.00 15.21 C ATOM 90 CG PHE A 7 11.803 5.239 -5.854 1.00 34.05 C ATOM 91 CD1 PHE A 7 11.116 6.267 -5.228 1.00 75.12 C ATOM 92 CD2 PHE A 7 13.188 5.240 -5.809 1.00 35.52 C ATOM 93 CE1 PHE A 7 11.795 7.275 -4.571 1.00 24.25 C ATOM 94 CE2 PHE A 7 13.873 6.244 -5.152 1.00 53.43 C ATOM 95 CZ PHE A 7 13.176 7.264 -4.534 1.00 31.15 C ATOM 0 H PHE A 7 8.756 4.910 -6.988 1.00 41.13 H new ATOM 0 HA PHE A 7 11.174 5.384 -8.319 1.00 72.04 H new ATOM 0 HB2 PHE A 7 10.203 3.847 -5.965 1.00 15.21 H new ATOM 0 HB3 PHE A 7 11.709 3.273 -6.652 1.00 15.21 H new ATOM 0 HD1 PHE A 7 10.036 6.280 -5.254 1.00 75.12 H new ATOM 0 HD2 PHE A 7 13.738 4.447 -6.293 1.00 35.52 H new ATOM 0 HE1 PHE A 7 11.247 8.070 -4.087 1.00 24.25 H new ATOM 0 HE2 PHE A 7 14.952 6.231 -5.122 1.00 53.43 H new ATOM 0 HZ PHE A 7 13.710 8.052 -4.023 1.00 31.15 H new ATOM 105 N LYS A 8 9.731 2.535 -9.023 1.00 30.45 N ATOM 106 CA LYS A 8 9.771 1.378 -9.909 1.00 71.12 C ATOM 107 C LYS A 8 9.761 1.812 -11.371 1.00 54.43 C ATOM 108 O LYS A 8 10.515 1.286 -12.189 1.00 53.32 O ATOM 109 CB LYS A 8 8.582 0.455 -9.632 1.00 13.52 C ATOM 110 CG LYS A 8 8.600 -0.823 -10.451 1.00 73.32 C ATOM 111 CD LYS A 8 9.861 -1.632 -10.196 1.00 13.43 C ATOM 112 CE LYS A 8 9.534 -3.055 -9.772 1.00 32.32 C ATOM 113 NZ LYS A 8 8.914 -3.835 -10.879 1.00 20.23 N ATOM 0 H LYS A 8 8.863 2.632 -8.497 1.00 30.45 H new ATOM 0 HA LYS A 8 10.696 0.836 -9.715 1.00 71.12 H new ATOM 0 HB2 LYS A 8 8.572 0.198 -8.573 1.00 13.52 H new ATOM 0 HB3 LYS A 8 7.658 0.995 -9.838 1.00 13.52 H new ATOM 0 HG2 LYS A 8 7.725 -1.425 -10.206 1.00 73.32 H new ATOM 0 HG3 LYS A 8 8.532 -0.578 -11.511 1.00 73.32 H new ATOM 0 HD2 LYS A 8 10.471 -1.651 -11.099 1.00 13.43 H new ATOM 0 HD3 LYS A 8 10.455 -1.148 -9.421 1.00 13.43 H new ATOM 0 HE2 LYS A 8 10.445 -3.554 -9.442 1.00 32.32 H new ATOM 0 HE3 LYS A 8 8.856 -3.033 -8.919 1.00 32.32 H new ATOM 0 HZ1 LYS A 8 8.706 -4.799 -10.550 1.00 20.23 H new ATOM 0 HZ2 LYS A 8 8.031 -3.373 -11.177 1.00 20.23 H new ATOM 0 HZ3 LYS A 8 9.571 -3.878 -11.684 1.00 20.23 H new ATOM 127 N GLN A 9 8.903 2.776 -11.692 1.00 33.34 N ATOM 128 CA GLN A 9 8.796 3.281 -13.055 1.00 60.43 C ATOM 129 C GLN A 9 10.093 3.957 -13.488 1.00 55.13 C ATOM 130 O GLN A 9 10.685 3.592 -14.504 1.00 2.41 O ATOM 131 CB GLN A 9 7.631 4.265 -13.167 1.00 51.44 C ATOM 132 CG GLN A 9 6.852 4.142 -14.467 1.00 65.42 C ATOM 133 CD GLN A 9 5.690 5.111 -14.546 1.00 13.22 C ATOM 134 OE1 GLN A 9 5.652 6.112 -13.830 1.00 51.51 O ATOM 135 NE2 GLN A 9 4.733 4.819 -15.418 1.00 74.35 N ATOM 0 H GLN A 9 8.272 3.222 -11.026 1.00 33.34 H new ATOM 0 HA GLN A 9 8.611 2.434 -13.716 1.00 60.43 H new ATOM 0 HB2 GLN A 9 6.951 4.107 -12.330 1.00 51.44 H new ATOM 0 HB3 GLN A 9 8.015 5.281 -13.078 1.00 51.44 H new ATOM 0 HG2 GLN A 9 7.524 4.318 -15.307 1.00 65.42 H new ATOM 0 HG3 GLN A 9 6.478 3.123 -14.567 1.00 65.42 H new ATOM 0 HE21 GLN A 9 4.805 3.979 -15.992 1.00 74.35 H new ATOM 0 HE22 GLN A 9 3.926 5.435 -15.514 1.00 74.35 H new ATOM 144 N ARG A 10 10.527 4.944 -12.712 1.00 1.22 N ATOM 145 CA ARG A 10 11.753 5.673 -13.016 1.00 73.32 C ATOM 146 C ARG A 10 12.943 4.722 -13.106 1.00 35.42 C ATOM 147 O ARG A 10 13.765 4.823 -14.017 1.00 73.24 O ATOM 148 CB ARG A 10 12.016 6.738 -11.950 1.00 25.51 C ATOM 149 CG ARG A 10 11.190 8.000 -12.132 1.00 73.12 C ATOM 150 CD ARG A 10 9.772 7.817 -11.613 1.00 40.14 C ATOM 151 NE ARG A 10 8.959 9.014 -11.809 1.00 51.33 N ATOM 152 CZ ARG A 10 8.381 9.329 -12.963 1.00 50.51 C ATOM 153 NH1 ARG A 10 8.526 8.540 -14.018 1.00 72.14 N ATOM 154 NH2 ARG A 10 7.656 10.436 -13.063 1.00 10.31 N ATOM 0 H ARG A 10 10.048 5.258 -11.868 1.00 1.22 H new ATOM 0 HA ARG A 10 11.626 6.160 -13.983 1.00 73.32 H new ATOM 0 HB2 ARG A 10 11.806 6.316 -10.967 1.00 25.51 H new ATOM 0 HB3 ARG A 10 13.074 7.001 -11.965 1.00 25.51 H new ATOM 0 HG2 ARG A 10 11.667 8.827 -11.607 1.00 73.12 H new ATOM 0 HG3 ARG A 10 11.160 8.268 -13.188 1.00 73.12 H new ATOM 0 HD2 ARG A 10 9.305 6.974 -12.123 1.00 40.14 H new ATOM 0 HD3 ARG A 10 9.803 7.570 -10.552 1.00 40.14 H new ATOM 0 HE ARG A 10 8.828 9.643 -11.017 1.00 51.33 H new ATOM 0 HH11 ARG A 10 9.083 7.688 -13.945 1.00 72.14 H new ATOM 0 HH12 ARG A 10 8.081 8.784 -14.903 1.00 72.14 H new ATOM 0 HH21 ARG A 10 7.542 11.046 -12.253 1.00 10.31 H new ATOM 0 HH22 ARG A 10 7.213 10.677 -13.949 1.00 10.31 H new ATOM 168 N LEU A 11 13.028 3.799 -12.154 1.00 64.31 N ATOM 169 CA LEU A 11 14.118 2.829 -12.125 1.00 11.13 C ATOM 170 C LEU A 11 14.080 1.930 -13.356 1.00 42.14 C ATOM 171 O LEU A 11 15.120 1.584 -13.917 1.00 12.33 O ATOM 172 CB LEU A 11 14.036 1.979 -10.856 1.00 21.22 C ATOM 173 CG LEU A 11 14.990 0.786 -10.785 1.00 33.43 C ATOM 174 CD1 LEU A 11 15.483 0.580 -9.361 1.00 14.33 C ATOM 175 CD2 LEU A 11 14.309 -0.473 -11.302 1.00 73.01 C ATOM 0 H LEU A 11 12.356 3.702 -11.393 1.00 64.31 H new ATOM 0 HA LEU A 11 15.060 3.377 -12.128 1.00 11.13 H new ATOM 0 HB2 LEU A 11 14.227 2.623 -9.998 1.00 21.22 H new ATOM 0 HB3 LEU A 11 13.016 1.609 -10.756 1.00 21.22 H new ATOM 0 HG LEU A 11 15.851 0.996 -11.419 1.00 33.43 H new ATOM 0 HD11 LEU A 11 16.161 -0.273 -9.330 1.00 14.33 H new ATOM 0 HD12 LEU A 11 16.009 1.474 -9.025 1.00 14.33 H new ATOM 0 HD13 LEU A 11 14.633 0.392 -8.705 1.00 14.33 H new ATOM 0 HD21 LEU A 11 15.003 -1.312 -11.244 1.00 73.01 H new ATOM 0 HD22 LEU A 11 13.430 -0.687 -10.694 1.00 73.01 H new ATOM 0 HD23 LEU A 11 14.006 -0.323 -12.338 1.00 73.01 H new ATOM 187 N ALA A 12 12.875 1.557 -13.773 1.00 72.14 N ATOM 188 CA ALA A 12 12.701 0.702 -14.941 1.00 63.12 C ATOM 189 C ALA A 12 13.199 1.393 -16.206 1.00 63.32 C ATOM 190 O ALA A 12 13.907 0.793 -17.014 1.00 64.14 O ATOM 191 CB ALA A 12 11.240 0.307 -15.094 1.00 31.03 C ATOM 0 H ALA A 12 12.004 1.833 -13.319 1.00 72.14 H new ATOM 0 HA ALA A 12 13.296 -0.199 -14.792 1.00 63.12 H new ATOM 0 HB1 ALA A 12 11.125 -0.331 -15.970 1.00 31.03 H new ATOM 0 HB2 ALA A 12 10.915 -0.234 -14.206 1.00 31.03 H new ATOM 0 HB3 ALA A 12 10.632 1.203 -15.216 1.00 31.03 H new ATOM 197 N ALA A 13 12.824 2.657 -16.371 1.00 71.24 N ATOM 198 CA ALA A 13 13.234 3.429 -17.538 1.00 12.24 C ATOM 199 C ALA A 13 14.743 3.647 -17.549 1.00 61.32 C ATOM 200 O ALA A 13 15.384 3.559 -18.597 1.00 40.50 O ATOM 201 CB ALA A 13 12.506 4.765 -17.568 1.00 71.15 C ATOM 0 H ALA A 13 12.237 3.168 -15.712 1.00 71.24 H new ATOM 0 HA ALA A 13 12.969 2.862 -18.430 1.00 12.24 H new ATOM 0 HB1 ALA A 13 12.821 5.332 -18.444 1.00 71.15 H new ATOM 0 HB2 ALA A 13 11.431 4.592 -17.615 1.00 71.15 H new ATOM 0 HB3 ALA A 13 12.744 5.329 -16.666 1.00 71.15 H new ATOM 207 N ILE A 14 15.304 3.931 -16.379 1.00 22.42 N ATOM 208 CA ILE A 14 16.738 4.160 -16.255 1.00 44.14 C ATOM 209 C ILE A 14 17.527 2.892 -16.566 1.00 53.44 C ATOM 210 O ILE A 14 18.581 2.943 -17.200 1.00 2.21 O ATOM 211 CB ILE A 14 17.111 4.649 -14.843 1.00 53.33 C ATOM 212 CG1 ILE A 14 16.403 5.970 -14.534 1.00 52.12 C ATOM 213 CG2 ILE A 14 18.619 4.808 -14.718 1.00 54.54 C ATOM 214 CD1 ILE A 14 16.139 6.183 -13.060 1.00 55.52 C ATOM 0 H ILE A 14 14.787 4.008 -15.503 1.00 22.42 H new ATOM 0 HA ILE A 14 16.997 4.933 -16.979 1.00 44.14 H new ATOM 0 HB ILE A 14 16.783 3.904 -14.118 1.00 53.33 H new ATOM 0 HG12 ILE A 14 17.009 6.794 -14.909 1.00 52.12 H new ATOM 0 HG13 ILE A 14 15.456 6.000 -15.073 1.00 52.12 H new ATOM 0 HG21 ILE A 14 18.866 5.154 -13.714 1.00 54.54 H new ATOM 0 HG22 ILE A 14 19.102 3.848 -14.900 1.00 54.54 H new ATOM 0 HG23 ILE A 14 18.970 5.536 -15.450 1.00 54.54 H new ATOM 0 HD11 ILE A 14 15.635 7.139 -12.915 1.00 55.52 H new ATOM 0 HD12 ILE A 14 15.507 5.379 -12.684 1.00 55.52 H new ATOM 0 HD13 ILE A 14 17.084 6.185 -12.518 1.00 55.52 H new ATOM 226 N LYS A 15 17.008 1.755 -16.118 1.00 34.52 N ATOM 227 CA LYS A 15 17.660 0.471 -16.350 1.00 0.40 C ATOM 228 C LYS A 15 17.615 0.098 -17.828 1.00 64.12 C ATOM 229 O LYS A 15 18.601 -0.384 -18.388 1.00 51.21 O ATOM 230 CB LYS A 15 16.990 -0.623 -15.516 1.00 50.01 C ATOM 231 CG LYS A 15 17.966 -1.439 -14.686 1.00 40.31 C ATOM 232 CD LYS A 15 17.725 -2.930 -14.848 1.00 65.24 C ATOM 233 CE LYS A 15 16.599 -3.414 -13.948 1.00 70.34 C ATOM 234 NZ LYS A 15 15.271 -3.299 -14.611 1.00 54.54 N ATOM 0 H LYS A 15 16.137 1.696 -15.591 1.00 34.52 H new ATOM 0 HA LYS A 15 18.703 0.561 -16.048 1.00 0.40 H new ATOM 0 HB2 LYS A 15 16.257 -0.165 -14.853 1.00 50.01 H new ATOM 0 HB3 LYS A 15 16.444 -1.292 -16.181 1.00 50.01 H new ATOM 0 HG2 LYS A 15 18.987 -1.200 -14.984 1.00 40.31 H new ATOM 0 HG3 LYS A 15 17.869 -1.166 -13.635 1.00 40.31 H new ATOM 0 HD2 LYS A 15 17.481 -3.149 -15.887 1.00 65.24 H new ATOM 0 HD3 LYS A 15 18.639 -3.475 -14.613 1.00 65.24 H new ATOM 0 HE2 LYS A 15 16.777 -4.453 -13.670 1.00 70.34 H new ATOM 0 HE3 LYS A 15 16.596 -2.833 -13.026 1.00 70.34 H new ATOM 0 HZ1 LYS A 15 14.548 -3.761 -14.023 1.00 54.54 H new ATOM 0 HZ2 LYS A 15 15.029 -2.295 -14.731 1.00 54.54 H new ATOM 0 HZ3 LYS A 15 15.307 -3.760 -15.542 1.00 54.54 H new ATOM 248 N THR A 16 16.466 0.324 -18.457 1.00 0.51 N ATOM 249 CA THR A 16 16.293 0.012 -19.870 1.00 3.21 C ATOM 250 C THR A 16 17.246 0.830 -20.734 1.00 64.32 C ATOM 251 O THR A 16 17.988 0.279 -21.548 1.00 4.31 O ATOM 252 CB THR A 16 14.847 0.275 -20.331 1.00 2.13 C ATOM 253 OG1 THR A 16 13.924 -0.276 -19.385 1.00 71.10 O ATOM 254 CG2 THR A 16 14.598 -0.332 -21.703 1.00 52.53 C ATOM 0 H THR A 16 15.641 0.722 -18.009 1.00 0.51 H new ATOM 0 HA THR A 16 16.517 -1.048 -19.989 1.00 3.21 H new ATOM 0 HB THR A 16 14.700 1.353 -20.396 1.00 2.13 H new ATOM 0 HG1 THR A 16 13.720 0.394 -18.699 1.00 71.10 H new ATOM 0 HG21 THR A 16 13.570 -0.134 -22.008 1.00 52.53 H new ATOM 0 HG22 THR A 16 15.283 0.111 -22.426 1.00 52.53 H new ATOM 0 HG23 THR A 16 14.762 -1.409 -21.660 1.00 52.53 H new ATOM 262 N ARG A 17 17.222 2.146 -20.552 1.00 33.10 N ATOM 263 CA ARG A 17 18.084 3.039 -21.316 1.00 50.31 C ATOM 264 C ARG A 17 19.553 2.794 -20.983 1.00 13.23 C ATOM 265 O ARG A 17 20.428 2.960 -21.833 1.00 25.04 O ATOM 266 CB ARG A 17 17.722 4.498 -21.032 1.00 41.31 C ATOM 267 CG ARG A 17 16.809 5.114 -22.080 1.00 3.43 C ATOM 268 CD ARG A 17 15.381 5.237 -21.572 1.00 23.04 C ATOM 269 NE ARG A 17 14.702 6.406 -22.124 1.00 70.45 N ATOM 270 CZ ARG A 17 13.387 6.585 -22.071 1.00 31.01 C ATOM 271 NH1 ARG A 17 12.614 5.677 -21.492 1.00 33.21 N ATOM 272 NH2 ARG A 17 12.843 7.675 -22.597 1.00 33.03 N ATOM 0 H ARG A 17 16.615 2.617 -19.882 1.00 33.10 H new ATOM 0 HA ARG A 17 17.930 2.833 -22.375 1.00 50.31 H new ATOM 0 HB2 ARG A 17 17.237 4.560 -20.058 1.00 41.31 H new ATOM 0 HB3 ARG A 17 18.638 5.085 -20.970 1.00 41.31 H new ATOM 0 HG2 ARG A 17 17.184 6.099 -22.357 1.00 3.43 H new ATOM 0 HG3 ARG A 17 16.824 4.502 -22.982 1.00 3.43 H new ATOM 0 HD2 ARG A 17 14.824 4.337 -21.834 1.00 23.04 H new ATOM 0 HD3 ARG A 17 15.388 5.302 -20.484 1.00 23.04 H new ATOM 0 HE ARG A 17 15.269 7.124 -22.575 1.00 70.45 H new ATOM 0 HH11 ARG A 17 13.029 4.838 -21.086 1.00 33.21 H new ATOM 0 HH12 ARG A 17 11.604 5.817 -21.453 1.00 33.21 H new ATOM 0 HH21 ARG A 17 13.435 8.376 -23.043 1.00 33.03 H new ATOM 0 HH22 ARG A 17 11.833 7.812 -22.556 1.00 33.03 H new ATOM 286 N CYS A 18 19.814 2.400 -19.742 1.00 22.34 N ATOM 287 CA CYS A 18 21.177 2.133 -19.295 1.00 40.02 C ATOM 288 C CYS A 18 21.717 0.856 -19.931 1.00 2.13 C ATOM 289 O CYS A 18 22.906 0.757 -20.232 1.00 3.20 O ATOM 290 CB CYS A 18 21.223 2.017 -17.771 1.00 1.51 C ATOM 291 SG CYS A 18 22.759 1.311 -17.130 1.00 61.43 S ATOM 0 H CYS A 18 19.100 2.258 -19.027 1.00 22.34 H new ATOM 0 HA CYS A 18 21.805 2.967 -19.607 1.00 40.02 H new ATOM 0 HB2 CYS A 18 21.082 3.007 -17.338 1.00 1.51 H new ATOM 0 HB3 CYS A 18 20.387 1.402 -17.439 1.00 1.51 H new ATOM 0 HG CYS A 18 23.430 2.230 -16.502 1.00 61.43 H new ATOM 297 N GLN A 19 20.836 -0.118 -20.130 1.00 33.43 N ATOM 298 CA GLN A 19 21.225 -1.390 -20.727 1.00 64.12 C ATOM 299 C GLN A 19 21.443 -1.242 -22.229 1.00 51.24 C ATOM 300 O GLN A 19 22.412 -1.763 -22.780 1.00 42.34 O ATOM 301 CB GLN A 19 20.159 -2.453 -20.457 1.00 1.13 C ATOM 302 CG GLN A 19 20.005 -2.800 -18.985 1.00 3.44 C ATOM 303 CD GLN A 19 20.697 -4.097 -18.615 1.00 44.22 C ATOM 304 OE1 GLN A 19 21.895 -4.263 -18.847 1.00 42.25 O ATOM 305 NE2 GLN A 19 19.945 -5.025 -18.036 1.00 23.30 N ATOM 0 H GLN A 19 19.848 -0.051 -19.887 1.00 33.43 H new ATOM 0 HA GLN A 19 22.164 -1.704 -20.271 1.00 64.12 H new ATOM 0 HB2 GLN A 19 19.201 -2.101 -20.841 1.00 1.13 H new ATOM 0 HB3 GLN A 19 20.411 -3.357 -21.010 1.00 1.13 H new ATOM 0 HG2 GLN A 19 20.413 -1.990 -18.380 1.00 3.44 H new ATOM 0 HG3 GLN A 19 18.945 -2.876 -18.743 1.00 3.44 H new ATOM 0 HE21 GLN A 19 18.956 -4.845 -17.863 1.00 23.30 H new ATOM 0 HE22 GLN A 19 20.356 -5.918 -17.764 1.00 23.30 H new ATOM 314 N ALA A 20 20.534 -0.528 -22.886 1.00 62.43 N ATOM 315 CA ALA A 20 20.628 -0.310 -24.324 1.00 72.35 C ATOM 316 C ALA A 20 21.680 0.743 -24.653 1.00 2.23 C ATOM 317 O ALA A 20 22.275 0.726 -25.731 1.00 4.20 O ATOM 318 CB ALA A 20 19.274 0.100 -24.885 1.00 42.41 C ATOM 0 H ALA A 20 19.725 -0.091 -22.445 1.00 62.43 H new ATOM 0 HA ALA A 20 20.933 -1.247 -24.789 1.00 72.35 H new ATOM 0 HB1 ALA A 20 19.359 0.260 -25.960 1.00 42.41 H new ATOM 0 HB2 ALA A 20 18.546 -0.688 -24.691 1.00 42.41 H new ATOM 0 HB3 ALA A 20 18.946 1.023 -24.406 1.00 42.41 H new ATOM 324 N LEU A 21 21.905 1.660 -23.717 1.00 72.55 N ATOM 325 CA LEU A 21 22.886 2.722 -23.908 1.00 11.33 C ATOM 326 C LEU A 21 22.648 3.454 -25.225 1.00 15.14 C ATOM 327 O LEU A 21 23.576 3.997 -25.822 1.00 10.45 O ATOM 328 CB LEU A 21 24.303 2.146 -23.880 1.00 53.43 C ATOM 329 CG LEU A 21 24.759 1.550 -22.548 1.00 60.55 C ATOM 330 CD1 LEU A 21 26.076 0.808 -22.719 1.00 73.21 C ATOM 331 CD2 LEU A 21 24.891 2.638 -21.493 1.00 51.25 C ATOM 0 H LEU A 21 21.421 1.689 -22.819 1.00 72.55 H new ATOM 0 HA LEU A 21 22.775 3.436 -23.092 1.00 11.33 H new ATOM 0 HB2 LEU A 21 24.374 1.372 -24.645 1.00 53.43 H new ATOM 0 HB3 LEU A 21 25.000 2.936 -24.159 1.00 53.43 H new ATOM 0 HG LEU A 21 24.004 0.838 -22.213 1.00 60.55 H new ATOM 0 HD11 LEU A 21 26.385 0.390 -21.761 1.00 73.21 H new ATOM 0 HD12 LEU A 21 25.948 0.002 -23.442 1.00 73.21 H new ATOM 0 HD13 LEU A 21 26.839 1.499 -23.077 1.00 73.21 H new ATOM 0 HD21 LEU A 21 25.216 2.195 -20.552 1.00 51.25 H new ATOM 0 HD22 LEU A 21 25.625 3.375 -21.820 1.00 51.25 H new ATOM 0 HD23 LEU A 21 23.926 3.125 -21.350 1.00 51.25 H new ATOM 343 N GLY A 22 21.395 3.466 -25.671 1.00 62.43 N ATOM 344 CA GLY A 22 21.057 4.135 -26.913 1.00 52.44 C ATOM 345 C GLY A 22 20.494 5.525 -26.688 1.00 71.33 C ATOM 346 O GLY A 22 20.032 6.174 -27.625 1.00 52.33 O ATOM 0 H GLY A 22 20.609 3.024 -25.194 1.00 62.43 H new ATOM 0 HA2 GLY A 22 21.947 4.204 -27.539 1.00 52.44 H new ATOM 0 HA3 GLY A 22 20.329 3.535 -27.459 1.00 52.44 H new ATOM 393 N GLU A 27 23.927 11.462 -21.853 1.00 62.53 N ATOM 394 CA GLU A 27 22.797 11.046 -21.031 1.00 54.23 C ATOM 395 C GLU A 27 23.242 10.068 -19.948 1.00 12.32 C ATOM 396 O GLU A 27 22.696 10.057 -18.844 1.00 55.50 O ATOM 397 CB GLU A 27 21.714 10.403 -21.901 1.00 24.11 C ATOM 398 CG GLU A 27 20.610 11.364 -22.308 1.00 71.41 C ATOM 399 CD GLU A 27 19.346 10.648 -22.745 1.00 1.33 C ATOM 400 OE1 GLU A 27 19.244 9.426 -22.511 1.00 4.03 O ATOM 401 OE2 GLU A 27 18.458 11.312 -23.320 1.00 64.15 O ATOM 0 HA GLU A 27 22.386 11.933 -20.548 1.00 54.23 H new ATOM 0 HB2 GLU A 27 22.177 9.993 -22.799 1.00 24.11 H new ATOM 0 HB3 GLU A 27 21.274 9.566 -21.359 1.00 24.11 H new ATOM 0 HG2 GLU A 27 20.379 12.022 -21.470 1.00 71.41 H new ATOM 0 HG3 GLU A 27 20.965 11.996 -23.122 1.00 71.41 H new ATOM 408 N CYS A 28 24.236 9.249 -20.271 1.00 71.23 N ATOM 409 CA CYS A 28 24.754 8.266 -19.327 1.00 24.42 C ATOM 410 C CYS A 28 25.101 8.922 -17.994 1.00 61.24 C ATOM 411 O CYS A 28 24.772 8.400 -16.930 1.00 33.22 O ATOM 412 CB CYS A 28 25.990 7.574 -19.905 1.00 53.03 C ATOM 413 SG CYS A 28 25.743 6.882 -21.557 1.00 75.13 S ATOM 0 H CYS A 28 24.699 9.246 -21.180 1.00 71.23 H new ATOM 0 HA CYS A 28 23.977 7.521 -19.154 1.00 24.42 H new ATOM 0 HB2 CYS A 28 26.811 8.291 -19.942 1.00 53.03 H new ATOM 0 HB3 CYS A 28 26.295 6.775 -19.230 1.00 53.03 H new ATOM 0 HG CYS A 28 26.844 6.320 -21.961 1.00 75.13 H new ATOM 419 N ALA A 29 25.769 10.069 -18.062 1.00 23.43 N ATOM 420 CA ALA A 29 26.161 10.796 -16.861 1.00 14.41 C ATOM 421 C ALA A 29 24.954 11.078 -15.972 1.00 21.10 C ATOM 422 O ALA A 29 24.945 10.728 -14.792 1.00 62.43 O ATOM 423 CB ALA A 29 26.858 12.096 -17.235 1.00 53.01 C ATOM 0 H ALA A 29 26.050 10.514 -18.936 1.00 23.43 H new ATOM 0 HA ALA A 29 26.856 10.172 -16.299 1.00 14.41 H new ATOM 0 HB1 ALA A 29 27.145 12.629 -16.328 1.00 53.01 H new ATOM 0 HB2 ALA A 29 27.748 11.875 -17.824 1.00 53.01 H new ATOM 0 HB3 ALA A 29 26.180 12.717 -17.821 1.00 53.01 H new ATOM 429 N ALA A 30 23.937 11.713 -16.546 1.00 5.12 N ATOM 430 CA ALA A 30 22.725 12.040 -15.805 1.00 43.34 C ATOM 431 C ALA A 30 22.116 10.794 -15.171 1.00 40.45 C ATOM 432 O ALA A 30 21.557 10.853 -14.076 1.00 53.13 O ATOM 433 CB ALA A 30 21.715 12.718 -16.720 1.00 21.44 C ATOM 0 H ALA A 30 23.929 12.011 -17.521 1.00 5.12 H new ATOM 0 HA ALA A 30 22.992 12.729 -15.004 1.00 43.34 H new ATOM 0 HB1 ALA A 30 20.814 12.957 -16.154 1.00 21.44 H new ATOM 0 HB2 ALA A 30 22.146 13.635 -17.121 1.00 21.44 H new ATOM 0 HB3 ALA A 30 21.460 12.048 -17.541 1.00 21.44 H new ATOM 439 N PHE A 31 22.227 9.668 -15.867 1.00 63.41 N ATOM 440 CA PHE A 31 21.686 8.407 -15.373 1.00 14.24 C ATOM 441 C PHE A 31 22.392 7.977 -14.090 1.00 41.33 C ATOM 442 O PHE A 31 21.748 7.659 -13.092 1.00 35.42 O ATOM 443 CB PHE A 31 21.825 7.316 -16.436 1.00 21.43 C ATOM 444 CG PHE A 31 20.570 7.086 -17.228 1.00 14.14 C ATOM 445 CD1 PHE A 31 19.733 8.144 -17.546 1.00 71.54 C ATOM 446 CD2 PHE A 31 20.226 5.813 -17.654 1.00 5.24 C ATOM 447 CE1 PHE A 31 18.577 7.935 -18.274 1.00 72.23 C ATOM 448 CE2 PHE A 31 19.072 5.598 -18.382 1.00 54.42 C ATOM 449 CZ PHE A 31 18.246 6.661 -18.694 1.00 23.02 C ATOM 0 H PHE A 31 22.687 9.603 -16.775 1.00 63.41 H new ATOM 0 HA PHE A 31 20.629 8.556 -15.152 1.00 14.24 H new ATOM 0 HB2 PHE A 31 22.631 7.586 -17.118 1.00 21.43 H new ATOM 0 HB3 PHE A 31 22.115 6.384 -15.952 1.00 21.43 H new ATOM 0 HD1 PHE A 31 19.987 9.142 -17.221 1.00 71.54 H new ATOM 0 HD2 PHE A 31 20.868 4.979 -17.414 1.00 5.24 H new ATOM 0 HE1 PHE A 31 17.932 8.767 -18.515 1.00 72.23 H new ATOM 0 HE2 PHE A 31 18.816 4.600 -18.707 1.00 54.42 H new ATOM 0 HZ PHE A 31 17.344 6.496 -19.265 1.00 23.02 H new ATOM 459 N GLU A 32 23.721 7.971 -14.127 1.00 50.14 N ATOM 460 CA GLU A 32 24.515 7.579 -12.969 1.00 10.01 C ATOM 461 C GLU A 32 24.169 8.438 -11.756 1.00 73.00 C ATOM 462 O GLU A 32 23.992 7.928 -10.649 1.00 44.03 O ATOM 463 CB GLU A 32 26.008 7.698 -13.282 1.00 70.22 C ATOM 464 CG GLU A 32 26.907 7.286 -12.128 1.00 54.02 C ATOM 465 CD GLU A 32 28.366 7.612 -12.380 1.00 70.24 C ATOM 466 OE1 GLU A 32 28.978 6.956 -13.249 1.00 60.33 O ATOM 467 OE2 GLU A 32 28.896 8.522 -11.709 1.00 71.34 O ATOM 0 H GLU A 32 24.270 8.233 -14.946 1.00 50.14 H new ATOM 0 HA GLU A 32 24.282 6.540 -12.736 1.00 10.01 H new ATOM 0 HB2 GLU A 32 26.239 7.080 -14.150 1.00 70.22 H new ATOM 0 HB3 GLU A 32 26.232 8.729 -13.556 1.00 70.22 H new ATOM 0 HG2 GLU A 32 26.578 7.789 -11.219 1.00 54.02 H new ATOM 0 HG3 GLU A 32 26.802 6.215 -11.955 1.00 54.02 H new ATOM 474 N LYS A 33 24.073 9.745 -11.972 1.00 44.53 N ATOM 475 CA LYS A 33 23.748 10.677 -10.899 1.00 51.31 C ATOM 476 C LYS A 33 22.383 10.359 -10.298 1.00 32.14 C ATOM 477 O LYS A 33 22.247 10.225 -9.082 1.00 13.40 O ATOM 478 CB LYS A 33 23.764 12.115 -11.422 1.00 54.42 C ATOM 479 CG LYS A 33 24.981 12.910 -10.981 1.00 72.33 C ATOM 480 CD LYS A 33 26.216 12.526 -11.779 1.00 20.24 C ATOM 481 CE LYS A 33 26.508 13.538 -12.876 1.00 73.31 C ATOM 482 NZ LYS A 33 27.968 13.787 -13.027 1.00 22.31 N ATOM 0 H LYS A 33 24.216 10.184 -12.882 1.00 44.53 H new ATOM 0 HA LYS A 33 24.503 10.572 -10.119 1.00 51.31 H new ATOM 0 HB2 LYS A 33 23.728 12.097 -12.511 1.00 54.42 H new ATOM 0 HB3 LYS A 33 22.864 12.626 -11.082 1.00 54.42 H new ATOM 0 HG2 LYS A 33 24.785 13.975 -11.103 1.00 72.33 H new ATOM 0 HG3 LYS A 33 25.164 12.739 -9.920 1.00 72.33 H new ATOM 0 HD2 LYS A 33 27.074 12.454 -11.111 1.00 20.24 H new ATOM 0 HD3 LYS A 33 26.073 11.540 -12.221 1.00 20.24 H new ATOM 0 HE2 LYS A 33 26.102 13.177 -13.821 1.00 73.31 H new ATOM 0 HE3 LYS A 33 26.001 14.476 -12.649 1.00 73.31 H new ATOM 0 HZ1 LYS A 33 28.125 14.482 -13.784 1.00 22.31 H new ATOM 0 HZ2 LYS A 33 28.352 14.156 -12.133 1.00 22.31 H new ATOM 0 HZ3 LYS A 33 28.449 12.897 -13.269 1.00 22.31 H new ATOM 496 N GLU A 34 21.376 10.237 -11.157 1.00 50.31 N ATOM 497 CA GLU A 34 20.022 9.934 -10.709 1.00 21.33 C ATOM 498 C GLU A 34 20.008 8.689 -9.826 1.00 14.22 C ATOM 499 O GLU A 34 19.410 8.686 -8.749 1.00 41.22 O ATOM 500 CB GLU A 34 19.097 9.731 -11.910 1.00 75.12 C ATOM 501 CG GLU A 34 17.879 10.640 -11.901 1.00 42.11 C ATOM 502 CD GLU A 34 16.835 10.206 -10.891 1.00 54.20 C ATOM 503 OE1 GLU A 34 17.101 10.322 -9.676 1.00 51.03 O ATOM 504 OE2 GLU A 34 15.752 9.751 -11.315 1.00 11.13 O ATOM 0 H GLU A 34 21.472 10.343 -12.167 1.00 50.31 H new ATOM 0 HA GLU A 34 19.663 10.779 -10.122 1.00 21.33 H new ATOM 0 HB2 GLU A 34 19.662 9.904 -12.826 1.00 75.12 H new ATOM 0 HB3 GLU A 34 18.765 8.693 -11.931 1.00 75.12 H new ATOM 0 HG2 GLU A 34 18.193 11.660 -11.678 1.00 42.11 H new ATOM 0 HG3 GLU A 34 17.433 10.654 -12.896 1.00 42.11 H new ATOM 511 N ILE A 35 20.669 7.634 -10.290 1.00 12.22 N ATOM 512 CA ILE A 35 20.733 6.384 -9.543 1.00 15.11 C ATOM 513 C ILE A 35 21.367 6.594 -8.172 1.00 44.45 C ATOM 514 O ILE A 35 20.872 6.093 -7.164 1.00 14.11 O ATOM 515 CB ILE A 35 21.531 5.312 -10.307 1.00 62.21 C ATOM 516 CG1 ILE A 35 20.836 4.971 -11.627 1.00 43.31 C ATOM 517 CG2 ILE A 35 21.696 4.064 -9.452 1.00 0.41 C ATOM 518 CD1 ILE A 35 19.506 4.273 -11.447 1.00 44.34 C ATOM 0 H ILE A 35 21.168 7.620 -11.180 1.00 12.22 H new ATOM 0 HA ILE A 35 19.707 6.039 -9.416 1.00 15.11 H new ATOM 0 HB ILE A 35 22.521 5.709 -10.531 1.00 62.21 H new ATOM 0 HG12 ILE A 35 20.682 5.889 -12.195 1.00 43.31 H new ATOM 0 HG13 ILE A 35 21.493 4.336 -12.221 1.00 43.31 H new ATOM 0 HG21 ILE A 35 22.262 3.315 -10.006 1.00 0.41 H new ATOM 0 HG22 ILE A 35 22.230 4.318 -8.536 1.00 0.41 H new ATOM 0 HG23 ILE A 35 20.714 3.663 -9.200 1.00 0.41 H new ATOM 0 HD11 ILE A 35 19.071 4.062 -12.424 1.00 44.34 H new ATOM 0 HD12 ILE A 35 19.656 3.338 -10.907 1.00 44.34 H new ATOM 0 HD13 ILE A 35 18.832 4.915 -10.880 1.00 44.34 H new ATOM 530 N ALA A 36 22.467 7.341 -8.144 1.00 34.21 N ATOM 531 CA ALA A 36 23.167 7.621 -6.897 1.00 5.10 C ATOM 532 C ALA A 36 22.232 8.253 -5.872 1.00 22.14 C ATOM 533 O ALA A 36 22.194 7.838 -4.714 1.00 33.32 O ATOM 534 CB ALA A 36 24.361 8.529 -7.155 1.00 23.50 C ATOM 0 H ALA A 36 22.891 7.762 -8.970 1.00 34.21 H new ATOM 0 HA ALA A 36 23.524 6.675 -6.489 1.00 5.10 H new ATOM 0 HB1 ALA A 36 24.875 8.730 -6.215 1.00 23.50 H new ATOM 0 HB2 ALA A 36 25.047 8.040 -7.846 1.00 23.50 H new ATOM 0 HB3 ALA A 36 24.017 9.468 -7.589 1.00 23.50 H new ATOM 540 N ALA A 37 21.480 9.259 -6.305 1.00 1.53 N ATOM 541 CA ALA A 37 20.544 9.948 -5.424 1.00 61.53 C ATOM 542 C ALA A 37 19.424 9.015 -4.978 1.00 35.33 C ATOM 543 O ALA A 37 18.957 9.088 -3.841 1.00 23.04 O ATOM 544 CB ALA A 37 19.968 11.172 -6.120 1.00 3.22 C ATOM 0 H ALA A 37 21.500 9.615 -7.260 1.00 1.53 H new ATOM 0 HA ALA A 37 21.088 10.271 -4.537 1.00 61.53 H new ATOM 0 HB1 ALA A 37 19.271 11.677 -5.451 1.00 3.22 H new ATOM 0 HB2 ALA A 37 20.776 11.854 -6.384 1.00 3.22 H new ATOM 0 HB3 ALA A 37 19.444 10.863 -7.024 1.00 3.22 H new ATOM 550 N PHE A 38 18.995 8.138 -5.880 1.00 13.31 N ATOM 551 CA PHE A 38 17.927 7.192 -5.579 1.00 71.30 C ATOM 552 C PHE A 38 18.305 6.303 -4.398 1.00 62.51 C ATOM 553 O PHE A 38 17.575 6.220 -3.411 1.00 55.15 O ATOM 554 CB PHE A 38 17.621 6.328 -6.805 1.00 4.43 C ATOM 555 CG PHE A 38 16.356 6.719 -7.513 1.00 35.25 C ATOM 556 CD1 PHE A 38 16.026 8.054 -7.685 1.00 20.41 C ATOM 557 CD2 PHE A 38 15.495 5.751 -8.006 1.00 4.20 C ATOM 558 CE1 PHE A 38 14.861 8.415 -8.335 1.00 44.41 C ATOM 559 CE2 PHE A 38 14.329 6.107 -8.657 1.00 64.05 C ATOM 560 CZ PHE A 38 14.013 7.441 -8.823 1.00 74.01 C ATOM 0 H PHE A 38 19.371 8.063 -6.825 1.00 13.31 H new ATOM 0 HA PHE A 38 17.036 7.761 -5.313 1.00 71.30 H new ATOM 0 HB2 PHE A 38 18.455 6.395 -7.504 1.00 4.43 H new ATOM 0 HB3 PHE A 38 17.547 5.285 -6.496 1.00 4.43 H new ATOM 0 HD1 PHE A 38 16.686 8.820 -7.307 1.00 20.41 H new ATOM 0 HD2 PHE A 38 15.738 4.706 -7.880 1.00 4.20 H new ATOM 0 HE1 PHE A 38 14.614 9.459 -8.461 1.00 44.41 H new ATOM 0 HE2 PHE A 38 13.666 5.343 -9.035 1.00 64.05 H new ATOM 0 HZ PHE A 38 13.104 7.722 -9.334 1.00 74.01 H new ATOM 570 N GLU A 39 19.452 5.639 -4.508 1.00 72.11 N ATOM 571 CA GLU A 39 19.926 4.755 -3.450 1.00 64.31 C ATOM 572 C GLU A 39 20.190 5.535 -2.166 1.00 13.52 C ATOM 573 O GLU A 39 19.885 5.068 -1.069 1.00 34.23 O ATOM 574 CB GLU A 39 21.201 4.033 -3.892 1.00 23.03 C ATOM 575 CG GLU A 39 22.314 4.973 -4.325 1.00 73.11 C ATOM 576 CD GLU A 39 23.551 4.234 -4.797 1.00 51.11 C ATOM 577 OE1 GLU A 39 23.494 3.615 -5.881 1.00 5.53 O ATOM 578 OE2 GLU A 39 24.575 4.274 -4.084 1.00 31.03 O ATOM 0 H GLU A 39 20.069 5.697 -5.318 1.00 72.11 H new ATOM 0 HA GLU A 39 19.148 4.017 -3.253 1.00 64.31 H new ATOM 0 HB2 GLU A 39 21.560 3.412 -3.071 1.00 23.03 H new ATOM 0 HB3 GLU A 39 20.961 3.363 -4.717 1.00 23.03 H new ATOM 0 HG2 GLU A 39 21.951 5.615 -5.127 1.00 73.11 H new ATOM 0 HG3 GLU A 39 22.580 5.624 -3.492 1.00 73.11 H new ATOM 585 N SER A 40 20.759 6.728 -2.311 1.00 71.22 N ATOM 586 CA SER A 40 21.068 7.572 -1.163 1.00 50.54 C ATOM 587 C SER A 40 19.792 8.008 -0.450 1.00 34.20 C ATOM 588 O SER A 40 19.784 8.206 0.764 1.00 1.14 O ATOM 589 CB SER A 40 21.862 8.802 -1.608 1.00 2.34 C ATOM 590 OG SER A 40 22.157 9.644 -0.506 1.00 50.04 O ATOM 0 H SER A 40 21.015 7.131 -3.212 1.00 71.22 H new ATOM 0 HA SER A 40 21.672 6.990 -0.467 1.00 50.54 H new ATOM 0 HB2 SER A 40 22.789 8.487 -2.087 1.00 2.34 H new ATOM 0 HB3 SER A 40 21.291 9.358 -2.352 1.00 2.34 H new ATOM 0 HG SER A 40 22.666 10.422 -0.816 1.00 50.04 H new ATOM 596 N GLU A 41 18.714 8.154 -1.215 1.00 1.22 N ATOM 597 CA GLU A 41 17.432 8.567 -0.656 1.00 70.11 C ATOM 598 C GLU A 41 16.709 7.383 -0.020 1.00 61.13 C ATOM 599 O GLU A 41 15.979 7.540 0.959 1.00 75.21 O ATOM 600 CB GLU A 41 16.554 9.191 -1.743 1.00 30.30 C ATOM 601 CG GLU A 41 16.817 10.671 -1.962 1.00 53.14 C ATOM 602 CD GLU A 41 15.546 11.457 -2.223 1.00 21.24 C ATOM 603 OE1 GLU A 41 15.154 11.575 -3.402 1.00 53.24 O ATOM 604 OE2 GLU A 41 14.945 11.953 -1.247 1.00 54.15 O ATOM 0 H GLU A 41 18.703 7.993 -2.222 1.00 1.22 H new ATOM 0 HA GLU A 41 17.624 9.311 0.117 1.00 70.11 H new ATOM 0 HB2 GLU A 41 16.717 8.659 -2.680 1.00 30.30 H new ATOM 0 HB3 GLU A 41 15.506 9.052 -1.476 1.00 30.30 H new ATOM 0 HG2 GLU A 41 17.320 11.080 -1.086 1.00 53.14 H new ATOM 0 HG3 GLU A 41 17.496 10.795 -2.806 1.00 53.14 H new ATOM 611 N LEU A 42 16.917 6.198 -0.584 1.00 44.22 N ATOM 612 CA LEU A 42 16.286 4.986 -0.074 1.00 11.32 C ATOM 613 C LEU A 42 16.937 4.541 1.232 1.00 51.41 C ATOM 614 O LEU A 42 16.276 3.979 2.105 1.00 5.51 O ATOM 615 CB LEU A 42 16.377 3.865 -1.110 1.00 72.13 C ATOM 616 CG LEU A 42 15.513 4.035 -2.360 1.00 72.43 C ATOM 617 CD1 LEU A 42 16.125 3.292 -3.537 1.00 62.35 C ATOM 618 CD2 LEU A 42 14.095 3.547 -2.099 1.00 1.30 C ATOM 0 H LEU A 42 17.518 6.051 -1.395 1.00 44.22 H new ATOM 0 HA LEU A 42 15.237 5.207 0.121 1.00 11.32 H new ATOM 0 HB2 LEU A 42 17.417 3.769 -1.422 1.00 72.13 H new ATOM 0 HB3 LEU A 42 16.101 2.928 -0.627 1.00 72.13 H new ATOM 0 HG LEU A 42 15.472 5.096 -2.608 1.00 72.43 H new ATOM 0 HD11 LEU A 42 15.496 3.424 -4.418 1.00 62.35 H new ATOM 0 HD12 LEU A 42 17.120 3.687 -3.739 1.00 62.35 H new ATOM 0 HD13 LEU A 42 16.198 2.231 -3.299 1.00 62.35 H new ATOM 0 HD21 LEU A 42 13.494 3.676 -2.999 1.00 1.30 H new ATOM 0 HD22 LEU A 42 14.118 2.492 -1.826 1.00 1.30 H new ATOM 0 HD23 LEU A 42 13.656 4.123 -1.285 1.00 1.30 H new ATOM 630 N GLN A 43 18.235 4.799 1.358 1.00 73.11 N ATOM 631 CA GLN A 43 18.974 4.426 2.558 1.00 10.10 C ATOM 632 C GLN A 43 18.522 5.256 3.755 1.00 21.55 C ATOM 633 O GLN A 43 18.735 4.871 4.905 1.00 43.21 O ATOM 634 CB GLN A 43 20.476 4.608 2.334 1.00 22.03 C ATOM 635 CG GLN A 43 20.934 6.055 2.422 1.00 55.11 C ATOM 636 CD GLN A 43 21.763 6.331 3.661 1.00 52.14 C ATOM 637 OE1 GLN A 43 21.292 6.959 4.610 1.00 62.42 O ATOM 638 NE2 GLN A 43 23.005 5.862 3.658 1.00 3.40 N ATOM 0 H GLN A 43 18.796 5.264 0.644 1.00 73.11 H new ATOM 0 HA GLN A 43 18.770 3.376 2.769 1.00 10.10 H new ATOM 0 HB2 GLN A 43 21.019 4.018 3.073 1.00 22.03 H new ATOM 0 HB3 GLN A 43 20.739 4.211 1.353 1.00 22.03 H new ATOM 0 HG2 GLN A 43 21.519 6.301 1.536 1.00 55.11 H new ATOM 0 HG3 GLN A 43 20.062 6.709 2.420 1.00 55.11 H new ATOM 0 HE21 GLN A 43 23.354 5.347 2.850 1.00 3.40 H new ATOM 0 HE22 GLN A 43 23.611 6.017 4.464 1.00 3.40 H new ATOM 647 N ALA A 44 17.897 6.395 3.478 1.00 44.24 N ATOM 648 CA ALA A 44 17.414 7.278 4.532 1.00 41.01 C ATOM 649 C ALA A 44 16.149 6.722 5.177 1.00 60.23 C ATOM 650 O ALA A 44 15.814 7.069 6.309 1.00 12.04 O ATOM 651 CB ALA A 44 17.157 8.671 3.977 1.00 2.31 C ATOM 0 H ALA A 44 17.713 6.728 2.532 1.00 44.24 H new ATOM 0 HA ALA A 44 18.185 7.341 5.300 1.00 41.01 H new ATOM 0 HB1 ALA A 44 16.797 9.320 4.775 1.00 2.31 H new ATOM 0 HB2 ALA A 44 18.083 9.077 3.570 1.00 2.31 H new ATOM 0 HB3 ALA A 44 16.407 8.616 3.188 1.00 2.31 H new ATOM 764 N GLU A 52 11.483 -4.352 0.770 1.00 24.43 N ATOM 765 CA GLU A 52 11.042 -3.175 0.032 1.00 1.44 C ATOM 766 C GLU A 52 12.234 -2.327 -0.402 1.00 41.23 C ATOM 767 O GLU A 52 12.332 -1.921 -1.560 1.00 41.34 O ATOM 768 CB GLU A 52 10.091 -2.336 0.888 1.00 12.14 C ATOM 769 CG GLU A 52 10.640 -2.010 2.267 1.00 10.31 C ATOM 770 CD GLU A 52 9.578 -1.471 3.206 1.00 72.23 C ATOM 771 OE1 GLU A 52 8.541 -0.983 2.709 1.00 0.54 O ATOM 772 OE2 GLU A 52 9.783 -1.538 4.436 1.00 51.15 O ATOM 0 HA GLU A 52 10.514 -3.513 -0.860 1.00 1.44 H new ATOM 0 HB2 GLU A 52 9.870 -1.406 0.365 1.00 12.14 H new ATOM 0 HB3 GLU A 52 9.148 -2.871 0.999 1.00 12.14 H new ATOM 0 HG2 GLU A 52 11.080 -2.908 2.700 1.00 10.31 H new ATOM 0 HG3 GLU A 52 11.441 -1.277 2.171 1.00 10.31 H new ATOM 779 N VAL A 53 13.139 -2.063 0.535 1.00 15.15 N ATOM 780 CA VAL A 53 14.325 -1.264 0.251 1.00 75.14 C ATOM 781 C VAL A 53 15.443 -2.126 -0.324 1.00 74.35 C ATOM 782 O VAL A 53 16.312 -1.634 -1.043 1.00 11.23 O ATOM 783 CB VAL A 53 14.839 -0.552 1.516 1.00 61.41 C ATOM 784 CG1 VAL A 53 16.142 0.177 1.226 1.00 20.00 C ATOM 785 CG2 VAL A 53 13.788 0.409 2.051 1.00 61.33 C ATOM 0 H VAL A 53 13.073 -2.391 1.498 1.00 15.15 H new ATOM 0 HA VAL A 53 14.033 -0.515 -0.485 1.00 75.14 H new ATOM 0 HB VAL A 53 15.034 -1.303 2.281 1.00 61.41 H new ATOM 0 HG11 VAL A 53 16.490 0.674 2.131 1.00 20.00 H new ATOM 0 HG12 VAL A 53 16.893 -0.539 0.894 1.00 20.00 H new ATOM 0 HG13 VAL A 53 15.978 0.919 0.445 1.00 20.00 H new ATOM 0 HG21 VAL A 53 14.168 0.903 2.945 1.00 61.33 H new ATOM 0 HG22 VAL A 53 13.559 1.157 1.292 1.00 61.33 H new ATOM 0 HG23 VAL A 53 12.882 -0.144 2.300 1.00 61.33 H new ATOM 795 N GLU A 54 15.413 -3.416 -0.004 1.00 33.04 N ATOM 796 CA GLU A 54 16.425 -4.347 -0.489 1.00 12.22 C ATOM 797 C GLU A 54 16.337 -4.505 -2.004 1.00 40.21 C ATOM 798 O GLU A 54 17.353 -4.650 -2.683 1.00 52.24 O ATOM 799 CB GLU A 54 16.262 -5.710 0.187 1.00 1.23 C ATOM 800 CG GLU A 54 15.666 -6.772 -0.721 1.00 31.33 C ATOM 801 CD GLU A 54 15.435 -8.089 -0.005 1.00 1.13 C ATOM 802 OE1 GLU A 54 15.769 -8.177 1.195 1.00 24.45 O ATOM 803 OE2 GLU A 54 14.921 -9.030 -0.644 1.00 32.33 O ATOM 0 H GLU A 54 14.699 -3.840 0.589 1.00 33.04 H new ATOM 0 HA GLU A 54 17.405 -3.941 -0.239 1.00 12.22 H new ATOM 0 HB2 GLU A 54 17.236 -6.050 0.539 1.00 1.23 H new ATOM 0 HB3 GLU A 54 15.627 -5.597 1.065 1.00 1.23 H new ATOM 0 HG2 GLU A 54 14.720 -6.411 -1.124 1.00 31.33 H new ATOM 0 HG3 GLU A 54 16.332 -6.935 -1.569 1.00 31.33 H new ATOM 810 N ALA A 55 15.115 -4.476 -2.526 1.00 43.02 N ATOM 811 CA ALA A 55 14.894 -4.614 -3.960 1.00 70.33 C ATOM 812 C ALA A 55 15.393 -3.386 -4.714 1.00 22.22 C ATOM 813 O ALA A 55 16.217 -3.495 -5.623 1.00 24.23 O ATOM 814 CB ALA A 55 13.418 -4.848 -4.246 1.00 51.45 C ATOM 0 H ALA A 55 14.263 -4.358 -1.977 1.00 43.02 H new ATOM 0 HA ALA A 55 15.462 -5.477 -4.309 1.00 70.33 H new ATOM 0 HB1 ALA A 55 13.267 -4.949 -5.321 1.00 51.45 H new ATOM 0 HB2 ALA A 55 13.091 -5.760 -3.746 1.00 51.45 H new ATOM 0 HB3 ALA A 55 12.837 -4.003 -3.876 1.00 51.45 H new ATOM 820 N LEU A 56 14.889 -2.218 -4.332 1.00 30.14 N ATOM 821 CA LEU A 56 15.284 -0.968 -4.972 1.00 75.20 C ATOM 822 C LEU A 56 16.784 -0.733 -4.829 1.00 71.14 C ATOM 823 O LEU A 56 17.430 -0.211 -5.738 1.00 55.13 O ATOM 824 CB LEU A 56 14.512 0.205 -4.365 1.00 20.35 C ATOM 825 CG LEU A 56 13.622 0.993 -5.326 1.00 44.14 C ATOM 826 CD1 LEU A 56 12.718 0.054 -6.108 1.00 73.43 C ATOM 827 CD2 LEU A 56 12.797 2.022 -4.568 1.00 4.34 C ATOM 0 H LEU A 56 14.206 -2.110 -3.582 1.00 30.14 H new ATOM 0 HA LEU A 56 15.046 -1.041 -6.033 1.00 75.20 H new ATOM 0 HB2 LEU A 56 13.890 -0.176 -3.555 1.00 20.35 H new ATOM 0 HB3 LEU A 56 15.229 0.894 -3.919 1.00 20.35 H new ATOM 0 HG LEU A 56 14.262 1.520 -6.033 1.00 44.14 H new ATOM 0 HD11 LEU A 56 12.092 0.633 -6.787 1.00 73.43 H new ATOM 0 HD12 LEU A 56 13.328 -0.643 -6.683 1.00 73.43 H new ATOM 0 HD13 LEU A 56 12.085 -0.502 -5.416 1.00 73.43 H new ATOM 0 HD21 LEU A 56 12.170 2.573 -5.269 1.00 4.34 H new ATOM 0 HD22 LEU A 56 12.166 1.516 -3.837 1.00 4.34 H new ATOM 0 HD23 LEU A 56 13.463 2.715 -4.054 1.00 4.34 H new ATOM 839 N ARG A 57 17.333 -1.124 -3.684 1.00 34.12 N ATOM 840 CA ARG A 57 18.757 -0.957 -3.423 1.00 1.12 C ATOM 841 C ARG A 57 19.587 -1.842 -4.348 1.00 60.10 C ATOM 842 O ARG A 57 20.592 -1.404 -4.907 1.00 65.05 O ATOM 843 CB ARG A 57 19.072 -1.290 -1.963 1.00 43.52 C ATOM 844 CG ARG A 57 20.500 -0.960 -1.558 1.00 71.42 C ATOM 845 CD ARG A 57 20.657 0.514 -1.219 1.00 32.54 C ATOM 846 NE ARG A 57 21.172 0.712 0.133 1.00 20.15 N ATOM 847 CZ ARG A 57 21.779 1.824 0.533 1.00 72.10 C ATOM 848 NH1 ARG A 57 21.945 2.832 -0.312 1.00 1.44 N ATOM 849 NH2 ARG A 57 22.220 1.929 1.780 1.00 43.12 N ATOM 0 H ARG A 57 16.813 -1.559 -2.922 1.00 34.12 H new ATOM 0 HA ARG A 57 19.016 0.084 -3.616 1.00 1.12 H new ATOM 0 HB2 ARG A 57 18.385 -0.743 -1.318 1.00 43.52 H new ATOM 0 HB3 ARG A 57 18.891 -2.352 -1.794 1.00 43.52 H new ATOM 0 HG2 ARG A 57 20.784 -1.565 -0.697 1.00 71.42 H new ATOM 0 HG3 ARG A 57 21.179 -1.222 -2.369 1.00 71.42 H new ATOM 0 HD2 ARG A 57 21.332 0.981 -1.936 1.00 32.54 H new ATOM 0 HD3 ARG A 57 19.693 1.013 -1.317 1.00 32.54 H new ATOM 0 HE ARG A 57 21.060 -0.045 0.807 1.00 20.15 H new ATOM 0 HH11 ARG A 57 21.606 2.755 -1.271 1.00 1.44 H new ATOM 0 HH12 ARG A 57 22.411 3.685 -0.003 1.00 1.44 H new ATOM 0 HH21 ARG A 57 22.093 1.155 2.433 1.00 43.12 H new ATOM 0 HH22 ARG A 57 22.686 2.783 2.086 1.00 43.12 H new ATOM 863 N LYS A 58 19.159 -3.090 -4.504 1.00 65.43 N ATOM 864 CA LYS A 58 19.861 -4.038 -5.362 1.00 22.33 C ATOM 865 C LYS A 58 19.870 -3.559 -6.810 1.00 2.23 C ATOM 866 O LYS A 58 20.929 -3.431 -7.424 1.00 31.05 O ATOM 867 CB LYS A 58 19.206 -5.418 -5.274 1.00 72.54 C ATOM 868 CG LYS A 58 20.093 -6.546 -5.775 1.00 14.43 C ATOM 869 CD LYS A 58 21.188 -6.879 -4.776 1.00 33.04 C ATOM 870 CE LYS A 58 22.566 -6.802 -5.413 1.00 44.14 C ATOM 871 NZ LYS A 58 22.751 -7.842 -6.463 1.00 53.44 N ATOM 0 H LYS A 58 18.329 -3.469 -4.048 1.00 65.43 H new ATOM 0 HA LYS A 58 20.892 -4.109 -5.015 1.00 22.33 H new ATOM 0 HB2 LYS A 58 18.932 -5.615 -4.238 1.00 72.54 H new ATOM 0 HB3 LYS A 58 18.282 -5.410 -5.852 1.00 72.54 H new ATOM 0 HG2 LYS A 58 19.486 -7.432 -5.960 1.00 14.43 H new ATOM 0 HG3 LYS A 58 20.542 -6.262 -6.727 1.00 14.43 H new ATOM 0 HD2 LYS A 58 21.136 -6.188 -3.934 1.00 33.04 H new ATOM 0 HD3 LYS A 58 21.026 -7.880 -4.377 1.00 33.04 H new ATOM 0 HE2 LYS A 58 22.709 -5.814 -5.851 1.00 44.14 H new ATOM 0 HE3 LYS A 58 23.329 -6.923 -4.644 1.00 44.14 H new ATOM 0 HZ1 LYS A 58 23.742 -7.846 -6.777 1.00 53.44 H new ATOM 0 HZ2 LYS A 58 22.508 -8.775 -6.074 1.00 53.44 H new ATOM 0 HZ3 LYS A 58 22.132 -7.632 -7.272 1.00 53.44 H new ATOM 885 N GLU A 59 18.684 -3.294 -7.348 1.00 51.01 N ATOM 886 CA GLU A 59 18.557 -2.828 -8.724 1.00 1.10 C ATOM 887 C GLU A 59 19.380 -1.562 -8.948 1.00 32.24 C ATOM 888 O GLU A 59 20.182 -1.487 -9.878 1.00 1.04 O ATOM 889 CB GLU A 59 17.089 -2.561 -9.062 1.00 71.44 C ATOM 890 CG GLU A 59 16.222 -3.809 -9.037 1.00 64.33 C ATOM 891 CD GLU A 59 16.309 -4.605 -10.325 1.00 34.50 C ATOM 892 OE1 GLU A 59 17.335 -4.488 -11.027 1.00 11.50 O ATOM 893 OE2 GLU A 59 15.351 -5.346 -10.631 1.00 13.32 O ATOM 0 H GLU A 59 17.798 -3.394 -6.853 1.00 51.01 H new ATOM 0 HA GLU A 59 18.938 -3.609 -9.382 1.00 1.10 H new ATOM 0 HB2 GLU A 59 16.688 -1.836 -8.354 1.00 71.44 H new ATOM 0 HB3 GLU A 59 17.029 -2.107 -10.051 1.00 71.44 H new ATOM 0 HG2 GLU A 59 16.525 -4.441 -8.202 1.00 64.33 H new ATOM 0 HG3 GLU A 59 15.185 -3.523 -8.860 1.00 64.33 H new ATOM 900 N ALA A 60 19.173 -0.570 -8.088 1.00 43.20 N ATOM 901 CA ALA A 60 19.896 0.692 -8.190 1.00 71.10 C ATOM 902 C ALA A 60 21.400 0.457 -8.280 1.00 0.42 C ATOM 903 O ALA A 60 22.063 0.962 -9.185 1.00 64.03 O ATOM 904 CB ALA A 60 19.569 1.585 -7.002 1.00 70.13 C ATOM 0 H ALA A 60 18.511 -0.616 -7.313 1.00 43.20 H new ATOM 0 HA ALA A 60 19.578 1.192 -9.105 1.00 71.10 H new ATOM 0 HB1 ALA A 60 20.116 2.524 -7.091 1.00 70.13 H new ATOM 0 HB2 ALA A 60 18.498 1.789 -6.984 1.00 70.13 H new ATOM 0 HB3 ALA A 60 19.858 1.083 -6.079 1.00 70.13 H new ATOM 910 N ALA A 61 21.932 -0.311 -7.335 1.00 11.44 N ATOM 911 CA ALA A 61 23.358 -0.613 -7.308 1.00 53.43 C ATOM 912 C ALA A 61 23.818 -1.207 -8.635 1.00 55.33 C ATOM 913 O ALA A 61 24.855 -0.821 -9.172 1.00 43.14 O ATOM 914 CB ALA A 61 23.675 -1.564 -6.164 1.00 14.21 C ATOM 0 H ALA A 61 21.397 -0.736 -6.578 1.00 11.44 H new ATOM 0 HA ALA A 61 23.899 0.320 -7.150 1.00 53.43 H new ATOM 0 HB1 ALA A 61 24.743 -1.781 -6.156 1.00 14.21 H new ATOM 0 HB2 ALA A 61 23.391 -1.103 -5.218 1.00 14.21 H new ATOM 0 HB3 ALA A 61 23.118 -2.491 -6.297 1.00 14.21 H new ATOM 920 N ALA A 62 23.039 -2.148 -9.158 1.00 72.14 N ATOM 921 CA ALA A 62 23.366 -2.794 -10.423 1.00 71.33 C ATOM 922 C ALA A 62 23.476 -1.772 -11.550 1.00 34.43 C ATOM 923 O ALA A 62 24.420 -1.805 -12.340 1.00 15.31 O ATOM 924 CB ALA A 62 22.322 -3.848 -10.763 1.00 51.44 C ATOM 0 H ALA A 62 22.177 -2.480 -8.725 1.00 72.14 H new ATOM 0 HA ALA A 62 24.335 -3.281 -10.314 1.00 71.33 H new ATOM 0 HB1 ALA A 62 22.579 -4.322 -11.710 1.00 51.44 H new ATOM 0 HB2 ALA A 62 22.295 -4.601 -9.975 1.00 51.44 H new ATOM 0 HB3 ALA A 62 21.343 -3.376 -10.847 1.00 51.44 H new ATOM 930 N ILE A 63 22.505 -0.867 -11.618 1.00 21.42 N ATOM 931 CA ILE A 63 22.494 0.164 -12.648 1.00 31.12 C ATOM 932 C ILE A 63 23.740 1.039 -12.563 1.00 71.23 C ATOM 933 O ILE A 63 24.367 1.343 -13.578 1.00 51.50 O ATOM 934 CB ILE A 63 21.244 1.057 -12.536 1.00 44.42 C ATOM 935 CG1 ILE A 63 19.974 0.213 -12.661 1.00 43.55 C ATOM 936 CG2 ILE A 63 21.273 2.143 -13.602 1.00 12.14 C ATOM 937 CD1 ILE A 63 18.892 0.600 -11.678 1.00 2.51 C ATOM 0 H ILE A 63 21.716 -0.827 -10.972 1.00 21.42 H new ATOM 0 HA ILE A 63 22.479 -0.350 -13.609 1.00 31.12 H new ATOM 0 HB ILE A 63 21.243 1.536 -11.557 1.00 44.42 H new ATOM 0 HG12 ILE A 63 19.583 0.307 -13.674 1.00 43.55 H new ATOM 0 HG13 ILE A 63 20.229 -0.836 -12.514 1.00 43.55 H new ATOM 0 HG21 ILE A 63 20.383 2.766 -13.511 1.00 12.14 H new ATOM 0 HG22 ILE A 63 22.163 2.759 -13.470 1.00 12.14 H new ATOM 0 HG23 ILE A 63 21.294 1.683 -14.590 1.00 12.14 H new ATOM 0 HD11 ILE A 63 18.022 -0.040 -11.824 1.00 2.51 H new ATOM 0 HD12 ILE A 63 19.264 0.479 -10.661 1.00 2.51 H new ATOM 0 HD13 ILE A 63 18.609 1.640 -11.839 1.00 2.51 H new ATOM 949 N ARG A 64 24.094 1.438 -11.346 1.00 43.43 N ATOM 950 CA ARG A 64 25.266 2.278 -11.129 1.00 22.12 C ATOM 951 C ARG A 64 26.530 1.589 -11.635 1.00 60.12 C ATOM 952 O ARG A 64 27.343 2.196 -12.332 1.00 43.10 O ATOM 953 CB ARG A 64 25.414 2.609 -9.643 1.00 12.53 C ATOM 954 CG ARG A 64 26.596 3.513 -9.335 1.00 3.32 C ATOM 955 CD ARG A 64 27.291 3.102 -8.046 1.00 50.30 C ATOM 956 NE ARG A 64 28.403 3.990 -7.717 1.00 21.34 N ATOM 957 CZ ARG A 64 28.249 5.187 -7.162 1.00 73.12 C ATOM 958 NH1 ARG A 64 27.035 5.637 -6.876 1.00 52.23 N ATOM 959 NH2 ARG A 64 29.310 5.936 -6.892 1.00 50.21 N ATOM 0 H ARG A 64 23.587 1.193 -10.496 1.00 43.43 H new ATOM 0 HA ARG A 64 25.128 3.203 -11.689 1.00 22.12 H new ATOM 0 HB2 ARG A 64 24.500 3.089 -9.294 1.00 12.53 H new ATOM 0 HB3 ARG A 64 25.521 1.681 -9.082 1.00 12.53 H new ATOM 0 HG2 ARG A 64 27.307 3.478 -10.160 1.00 3.32 H new ATOM 0 HG3 ARG A 64 26.254 4.545 -9.252 1.00 3.32 H new ATOM 0 HD2 ARG A 64 26.570 3.105 -7.228 1.00 50.30 H new ATOM 0 HD3 ARG A 64 27.659 2.081 -8.142 1.00 50.30 H new ATOM 0 HE ARG A 64 29.350 3.674 -7.925 1.00 21.34 H new ATOM 0 HH11 ARG A 64 26.217 5.064 -7.082 1.00 52.23 H new ATOM 0 HH12 ARG A 64 26.919 6.556 -6.450 1.00 52.23 H new ATOM 0 HH21 ARG A 64 30.245 5.593 -7.111 1.00 50.21 H new ATOM 0 HH22 ARG A 64 29.190 6.855 -6.466 1.00 50.21 H new ATOM 973 N ASP A 65 26.688 0.319 -11.280 1.00 30.24 N ATOM 974 CA ASP A 65 27.852 -0.453 -11.698 1.00 62.31 C ATOM 975 C ASP A 65 27.949 -0.510 -13.220 1.00 14.45 C ATOM 976 O ASP A 65 29.025 -0.336 -13.789 1.00 4.20 O ATOM 977 CB ASP A 65 27.784 -1.870 -11.126 1.00 74.12 C ATOM 978 CG ASP A 65 28.008 -1.901 -9.627 1.00 52.11 C ATOM 979 OD1 ASP A 65 28.683 -0.987 -9.109 1.00 4.00 O ATOM 980 OD2 ASP A 65 27.507 -2.838 -8.972 1.00 31.31 O ATOM 0 H ASP A 65 26.024 -0.198 -10.703 1.00 30.24 H new ATOM 0 HA ASP A 65 28.743 0.043 -11.313 1.00 62.31 H new ATOM 0 HB2 ASP A 65 26.811 -2.304 -11.354 1.00 74.12 H new ATOM 0 HB3 ASP A 65 28.533 -2.492 -11.615 1.00 74.12 H new ATOM 985 N GLU A 66 26.816 -0.755 -13.871 1.00 12.34 N ATOM 986 CA GLU A 66 26.774 -0.836 -15.326 1.00 2.21 C ATOM 987 C GLU A 66 27.222 0.479 -15.957 1.00 42.32 C ATOM 988 O GLU A 66 28.037 0.491 -16.881 1.00 22.15 O ATOM 989 CB GLU A 66 25.362 -1.186 -15.799 1.00 71.22 C ATOM 990 CG GLU A 66 24.811 -2.459 -15.179 1.00 74.23 C ATOM 991 CD GLU A 66 23.328 -2.366 -14.876 1.00 51.20 C ATOM 992 OE1 GLU A 66 22.636 -1.567 -15.542 1.00 70.20 O ATOM 993 OE2 GLU A 66 22.859 -3.090 -13.973 1.00 65.24 O ATOM 0 H GLU A 66 25.916 -0.901 -13.414 1.00 12.34 H new ATOM 0 HA GLU A 66 27.460 -1.623 -15.640 1.00 2.21 H new ATOM 0 HB2 GLU A 66 24.693 -0.358 -15.563 1.00 71.22 H new ATOM 0 HB3 GLU A 66 25.367 -1.293 -16.884 1.00 71.22 H new ATOM 0 HG2 GLU A 66 24.988 -3.295 -15.856 1.00 74.23 H new ATOM 0 HG3 GLU A 66 25.353 -2.675 -14.258 1.00 74.23 H new ATOM 1000 N CYS A 67 26.684 1.584 -15.453 1.00 51.12 N ATOM 1001 CA CYS A 67 27.026 2.905 -15.968 1.00 5.21 C ATOM 1002 C CYS A 67 28.528 3.156 -15.867 1.00 34.51 C ATOM 1003 O CYS A 67 29.143 3.674 -16.798 1.00 25.22 O ATOM 1004 CB CYS A 67 26.264 3.987 -15.202 1.00 40.30 C ATOM 1005 SG CYS A 67 24.480 3.980 -15.494 1.00 53.35 S ATOM 0 H CYS A 67 26.009 1.591 -14.688 1.00 51.12 H new ATOM 0 HA CYS A 67 26.739 2.943 -17.019 1.00 5.21 H new ATOM 0 HB2 CYS A 67 26.447 3.859 -14.135 1.00 40.30 H new ATOM 0 HB3 CYS A 67 26.663 4.963 -15.479 1.00 40.30 H new ATOM 0 HG CYS A 67 23.934 3.010 -14.822 1.00 53.35 H new ATOM 1011 N GLN A 68 29.109 2.785 -14.730 1.00 52.34 N ATOM 1012 CA GLN A 68 30.538 2.972 -14.507 1.00 54.34 C ATOM 1013 C GLN A 68 31.354 2.056 -15.412 1.00 63.33 C ATOM 1014 O GLN A 68 32.467 2.395 -15.813 1.00 63.44 O ATOM 1015 CB GLN A 68 30.886 2.704 -13.042 1.00 51.52 C ATOM 1016 CG GLN A 68 29.960 3.402 -12.059 1.00 52.43 C ATOM 1017 CD GLN A 68 30.704 4.309 -11.099 1.00 22.32 C ATOM 1018 OE1 GLN A 68 31.851 4.042 -10.737 1.00 75.53 O ATOM 1019 NE2 GLN A 68 30.055 5.389 -10.680 1.00 32.53 N ATOM 0 H GLN A 68 28.613 2.354 -13.950 1.00 52.34 H new ATOM 0 HA GLN A 68 30.786 4.006 -14.748 1.00 54.34 H new ATOM 0 HB2 GLN A 68 30.852 1.630 -12.860 1.00 51.52 H new ATOM 0 HB3 GLN A 68 31.910 3.027 -12.856 1.00 51.52 H new ATOM 0 HG2 GLN A 68 29.226 3.988 -12.611 1.00 52.43 H new ATOM 0 HG3 GLN A 68 29.408 2.653 -11.491 1.00 52.43 H new ATOM 0 HE21 GLN A 68 29.106 5.572 -11.005 1.00 32.53 H new ATOM 0 HE22 GLN A 68 30.506 6.036 -10.033 1.00 32.53 H new ATOM 1028 N ALA A 69 30.794 0.893 -15.730 1.00 11.15 N ATOM 1029 CA ALA A 69 31.470 -0.072 -16.588 1.00 54.53 C ATOM 1030 C ALA A 69 31.352 0.324 -18.056 1.00 65.24 C ATOM 1031 O ALA A 69 31.984 -0.279 -18.924 1.00 65.20 O ATOM 1032 CB ALA A 69 30.899 -1.465 -16.368 1.00 3.23 C ATOM 0 H ALA A 69 29.873 0.597 -15.406 1.00 11.15 H new ATOM 0 HA ALA A 69 32.527 -0.079 -16.323 1.00 54.53 H new ATOM 0 HB1 ALA A 69 31.413 -2.175 -17.015 1.00 3.23 H new ATOM 0 HB2 ALA A 69 31.039 -1.755 -15.327 1.00 3.23 H new ATOM 0 HB3 ALA A 69 29.835 -1.463 -16.604 1.00 3.23 H new ATOM 1038 N TYR A 70 30.540 1.339 -18.328 1.00 1.14 N ATOM 1039 CA TYR A 70 30.338 1.813 -19.692 1.00 32.33 C ATOM 1040 C TYR A 70 31.204 3.036 -19.978 1.00 32.21 C ATOM 1041 O TYR A 70 31.738 3.189 -21.077 1.00 33.25 O ATOM 1042 CB TYR A 70 28.864 2.152 -19.923 1.00 23.11 C ATOM 1043 CG TYR A 70 27.937 0.970 -19.754 1.00 61.54 C ATOM 1044 CD1 TYR A 70 28.356 -0.317 -20.069 1.00 64.33 C ATOM 1045 CD2 TYR A 70 26.642 1.139 -19.282 1.00 32.04 C ATOM 1046 CE1 TYR A 70 27.513 -1.401 -19.918 1.00 13.34 C ATOM 1047 CE2 TYR A 70 25.792 0.061 -19.125 1.00 53.44 C ATOM 1048 CZ TYR A 70 26.232 -1.206 -19.445 1.00 34.31 C ATOM 1049 OH TYR A 70 25.387 -2.282 -19.292 1.00 63.21 O ATOM 0 H TYR A 70 30.011 1.850 -17.622 1.00 1.14 H new ATOM 0 HA TYR A 70 30.632 1.015 -20.374 1.00 32.33 H new ATOM 0 HB2 TYR A 70 28.567 2.938 -19.228 1.00 23.11 H new ATOM 0 HB3 TYR A 70 28.746 2.555 -20.929 1.00 23.11 H new ATOM 0 HD1 TYR A 70 29.359 -0.473 -20.439 1.00 64.33 H new ATOM 0 HD2 TYR A 70 26.293 2.130 -19.033 1.00 32.04 H new ATOM 0 HE1 TYR A 70 27.855 -2.394 -20.169 1.00 13.34 H new ATOM 0 HE2 TYR A 70 24.789 0.210 -18.754 1.00 53.44 H new ATOM 0 HH TYR A 70 24.523 -1.973 -18.948 1.00 63.21 H new ATOM 1059 N ARG A 71 31.338 3.904 -18.980 1.00 64.34 N ATOM 1060 CA ARG A 71 32.139 5.114 -19.124 1.00 34.15 C ATOM 1061 C ARG A 71 33.004 5.342 -17.888 1.00 45.40 C ATOM 1062 O ARG A 71 33.081 6.456 -17.368 1.00 31.13 O ATOM 1063 CB ARG A 71 31.233 6.325 -19.356 1.00 63.11 C ATOM 1064 CG ARG A 71 30.226 6.556 -18.241 1.00 63.42 C ATOM 1065 CD ARG A 71 30.443 7.900 -17.564 1.00 24.54 C ATOM 1066 NE ARG A 71 29.745 8.980 -18.255 1.00 4.11 N ATOM 1067 CZ ARG A 71 30.065 10.263 -18.125 1.00 31.11 C ATOM 1068 NH1 ARG A 71 31.066 10.623 -17.334 1.00 44.22 N ATOM 1069 NH2 ARG A 71 29.382 11.188 -18.787 1.00 44.32 N ATOM 0 H ARG A 71 30.903 3.792 -18.064 1.00 64.34 H new ATOM 0 HA ARG A 71 32.793 4.987 -19.986 1.00 34.15 H new ATOM 0 HB2 ARG A 71 31.852 7.215 -19.465 1.00 63.11 H new ATOM 0 HB3 ARG A 71 30.697 6.192 -20.296 1.00 63.11 H new ATOM 0 HG2 ARG A 71 29.215 6.511 -18.647 1.00 63.42 H new ATOM 0 HG3 ARG A 71 30.309 5.758 -17.503 1.00 63.42 H new ATOM 0 HD2 ARG A 71 30.096 7.846 -16.532 1.00 24.54 H new ATOM 0 HD3 ARG A 71 31.510 8.121 -17.531 1.00 24.54 H new ATOM 0 HE ARG A 71 28.969 8.736 -18.871 1.00 4.11 H new ATOM 0 HH11 ARG A 71 31.593 9.914 -16.823 1.00 44.22 H new ATOM 0 HH12 ARG A 71 31.310 11.609 -17.236 1.00 44.22 H new ATOM 0 HH21 ARG A 71 28.611 10.914 -19.396 1.00 44.32 H new ATOM 0 HH22 ARG A 71 29.628 12.173 -18.687 1.00 44.32 H new