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 120:sc= 1.04 USER MOD Set 1.2: A 67 CYS SG : rot 76:sc= 1.05 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -132:sc= -0.139 (180deg=-0.814) USER MOD Single : A 9 GLN : amide:sc= -0.0674 X(o=-0.067,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -148:sc= 0.43 (180deg=0.0686) USER MOD Single : A 16 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 19 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.2!) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0312 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= -0.15 K(o=-0.15,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.53 K(o=-2.5,f=-4.8!) USER MOD Single : A 70 TYR OH : rot 93:sc= 0.59 USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 4.950 5.172 -2.426 1.00 3.14 N ATOM 26 CA SER A 3 5.651 5.730 -3.576 1.00 43.11 C ATOM 27 C SER A 3 6.604 4.704 -4.182 1.00 3.04 C ATOM 28 O SER A 3 7.612 5.061 -4.792 1.00 55.25 O ATOM 29 CB SER A 3 6.426 6.985 -3.168 1.00 64.45 C ATOM 30 OG SER A 3 7.642 6.646 -2.523 1.00 72.13 O ATOM 0 HA SER A 3 4.909 5.998 -4.328 1.00 43.11 H new ATOM 0 HB2 SER A 3 6.635 7.590 -4.050 1.00 64.45 H new ATOM 0 HB3 SER A 3 5.814 7.593 -2.502 1.00 64.45 H new ATOM 0 HG SER A 3 8.119 7.465 -2.274 1.00 72.13 H new ATOM 36 N TRP A 4 6.278 3.429 -4.007 1.00 63.51 N ATOM 37 CA TRP A 4 7.105 2.349 -4.536 1.00 11.41 C ATOM 38 C TRP A 4 6.935 2.224 -6.046 1.00 24.21 C ATOM 39 O TRP A 4 7.915 2.119 -6.783 1.00 3.20 O ATOM 40 CB TRP A 4 6.746 1.026 -3.858 1.00 65.22 C ATOM 41 CG TRP A 4 7.396 -0.164 -4.498 1.00 13.00 C ATOM 42 CD1 TRP A 4 6.968 -0.831 -5.610 1.00 64.52 C ATOM 43 CD2 TRP A 4 8.587 -0.828 -4.062 1.00 40.22 C ATOM 44 NE1 TRP A 4 7.823 -1.870 -5.892 1.00 75.31 N ATOM 45 CE2 TRP A 4 8.824 -1.889 -4.958 1.00 1.12 C ATOM 46 CE3 TRP A 4 9.478 -0.628 -3.004 1.00 53.11 C ATOM 47 CZ2 TRP A 4 9.913 -2.746 -4.825 1.00 4.44 C ATOM 48 CZ3 TRP A 4 10.558 -1.479 -2.873 1.00 62.32 C ATOM 49 CH2 TRP A 4 10.769 -2.527 -3.779 1.00 42.15 C ATOM 0 H TRP A 4 5.448 3.117 -3.503 1.00 63.51 H new ATOM 0 HA TRP A 4 8.148 2.586 -4.325 1.00 11.41 H new ATOM 0 HB2 TRP A 4 7.040 1.072 -2.809 1.00 65.22 H new ATOM 0 HB3 TRP A 4 5.664 0.896 -3.880 1.00 65.22 H new ATOM 0 HD1 TRP A 4 6.088 -0.580 -6.183 1.00 64.52 H new ATOM 0 HE1 TRP A 4 7.727 -2.521 -6.671 1.00 75.31 H new ATOM 0 HE3 TRP A 4 9.325 0.178 -2.301 1.00 53.11 H new ATOM 0 HZ2 TRP A 4 10.077 -3.555 -5.522 1.00 4.44 H new ATOM 0 HZ3 TRP A 4 11.252 -1.334 -2.058 1.00 62.32 H new ATOM 0 HH2 TRP A 4 11.624 -3.175 -3.650 1.00 42.15 H new ATOM 60 N ALA A 5 5.686 2.235 -6.500 1.00 4.21 N ATOM 61 CA ALA A 5 5.390 2.125 -7.923 1.00 33.23 C ATOM 62 C ALA A 5 6.201 3.131 -8.732 1.00 62.43 C ATOM 63 O ALA A 5 6.831 2.775 -9.728 1.00 23.04 O ATOM 64 CB ALA A 5 3.902 2.324 -8.169 1.00 14.54 C ATOM 0 H ALA A 5 4.863 2.319 -5.903 1.00 4.21 H new ATOM 0 HA ALA A 5 5.671 1.124 -8.251 1.00 33.23 H new ATOM 0 HB1 ALA A 5 3.695 2.239 -9.236 1.00 14.54 H new ATOM 0 HB2 ALA A 5 3.339 1.563 -7.629 1.00 14.54 H new ATOM 0 HB3 ALA A 5 3.604 3.312 -7.819 1.00 14.54 H new ATOM 70 N GLU A 6 6.180 4.387 -8.299 1.00 1.13 N ATOM 71 CA GLU A 6 6.913 5.444 -8.986 1.00 24.15 C ATOM 72 C GLU A 6 8.398 5.104 -9.079 1.00 21.15 C ATOM 73 O GLU A 6 8.996 5.171 -10.153 1.00 12.52 O ATOM 74 CB GLU A 6 6.729 6.778 -8.259 1.00 50.04 C ATOM 75 CG GLU A 6 5.357 7.398 -8.464 1.00 32.20 C ATOM 76 CD GLU A 6 5.179 8.690 -7.691 1.00 44.43 C ATOM 77 OE1 GLU A 6 5.797 8.826 -6.614 1.00 52.41 O ATOM 78 OE2 GLU A 6 4.424 9.565 -8.163 1.00 13.31 O ATOM 0 H GLU A 6 5.664 4.698 -7.476 1.00 1.13 H new ATOM 0 HA GLU A 6 6.513 5.531 -9.996 1.00 24.15 H new ATOM 0 HB2 GLU A 6 6.894 6.627 -7.192 1.00 50.04 H new ATOM 0 HB3 GLU A 6 7.490 7.478 -8.604 1.00 50.04 H new ATOM 0 HG2 GLU A 6 5.205 7.591 -9.526 1.00 32.20 H new ATOM 0 HG3 GLU A 6 4.591 6.686 -8.156 1.00 32.20 H new ATOM 85 N PHE A 7 8.988 4.739 -7.945 1.00 34.31 N ATOM 86 CA PHE A 7 10.403 4.390 -7.897 1.00 34.41 C ATOM 87 C PHE A 7 10.708 3.228 -8.838 1.00 45.34 C ATOM 88 O PHE A 7 11.738 3.216 -9.514 1.00 75.02 O ATOM 89 CB PHE A 7 10.811 4.024 -6.468 1.00 44.05 C ATOM 90 CG PHE A 7 11.892 4.905 -5.910 1.00 50.21 C ATOM 91 CD1 PHE A 7 11.753 6.284 -5.917 1.00 74.31 C ATOM 92 CD2 PHE A 7 13.047 4.355 -5.378 1.00 12.03 C ATOM 93 CE1 PHE A 7 12.746 7.097 -5.405 1.00 31.33 C ATOM 94 CE2 PHE A 7 14.043 5.163 -4.863 1.00 43.14 C ATOM 95 CZ PHE A 7 13.892 6.536 -4.876 1.00 60.30 C ATOM 0 H PHE A 7 8.508 4.677 -7.047 1.00 34.31 H new ATOM 0 HA PHE A 7 10.977 5.258 -8.221 1.00 34.41 H new ATOM 0 HB2 PHE A 7 9.935 4.083 -5.822 1.00 44.05 H new ATOM 0 HB3 PHE A 7 11.151 2.989 -6.449 1.00 44.05 H new ATOM 0 HD1 PHE A 7 10.858 6.728 -6.327 1.00 74.31 H new ATOM 0 HD2 PHE A 7 13.170 3.282 -5.366 1.00 12.03 H new ATOM 0 HE1 PHE A 7 12.626 8.170 -5.418 1.00 31.33 H new ATOM 0 HE2 PHE A 7 14.938 4.721 -4.451 1.00 43.14 H new ATOM 0 HZ PHE A 7 14.668 7.170 -4.473 1.00 60.30 H new ATOM 105 N LYS A 8 9.807 2.253 -8.877 1.00 23.31 N ATOM 106 CA LYS A 8 9.978 1.086 -9.735 1.00 0.21 C ATOM 107 C LYS A 8 9.946 1.484 -11.207 1.00 53.20 C ATOM 108 O LYS A 8 10.757 1.014 -12.004 1.00 20.43 O ATOM 109 CB LYS A 8 8.885 0.054 -9.451 1.00 35.04 C ATOM 110 CG LYS A 8 9.183 -1.321 -10.022 1.00 21.42 C ATOM 111 CD LYS A 8 8.997 -2.411 -8.979 1.00 55.21 C ATOM 112 CE LYS A 8 7.641 -3.087 -9.116 1.00 63.43 C ATOM 113 NZ LYS A 8 7.549 -4.318 -8.282 1.00 54.25 N ATOM 0 H LYS A 8 8.950 2.247 -8.324 1.00 23.31 H new ATOM 0 HA LYS A 8 10.951 0.645 -9.517 1.00 0.21 H new ATOM 0 HB2 LYS A 8 8.749 -0.031 -8.373 1.00 35.04 H new ATOM 0 HB3 LYS A 8 7.942 0.413 -9.864 1.00 35.04 H new ATOM 0 HG2 LYS A 8 8.527 -1.513 -10.871 1.00 21.42 H new ATOM 0 HG3 LYS A 8 10.206 -1.346 -10.397 1.00 21.42 H new ATOM 0 HD2 LYS A 8 9.788 -3.154 -9.083 1.00 55.21 H new ATOM 0 HD3 LYS A 8 9.092 -1.982 -7.982 1.00 55.21 H new ATOM 0 HE2 LYS A 8 6.856 -2.390 -8.823 1.00 63.43 H new ATOM 0 HE3 LYS A 8 7.466 -3.342 -10.161 1.00 63.43 H new ATOM 0 HZ1 LYS A 8 7.168 -5.098 -8.855 1.00 54.25 H new ATOM 0 HZ2 LYS A 8 8.495 -4.574 -7.935 1.00 54.25 H new ATOM 0 HZ3 LYS A 8 6.920 -4.143 -7.473 1.00 54.25 H new ATOM 127 N GLN A 9 9.005 2.354 -11.560 1.00 13.03 N ATOM 128 CA GLN A 9 8.869 2.815 -12.936 1.00 54.13 C ATOM 129 C GLN A 9 10.125 3.550 -13.391 1.00 0.42 C ATOM 130 O GLN A 9 10.766 3.160 -14.367 1.00 30.45 O ATOM 131 CB GLN A 9 7.650 3.730 -13.072 1.00 5.42 C ATOM 132 CG GLN A 9 6.565 3.169 -13.977 1.00 4.24 C ATOM 133 CD GLN A 9 5.434 4.151 -14.209 1.00 32.11 C ATOM 134 OE1 GLN A 9 5.060 4.427 -15.349 1.00 44.03 O ATOM 135 NE2 GLN A 9 4.881 4.684 -13.126 1.00 13.21 N ATOM 0 H GLN A 9 8.326 2.753 -10.912 1.00 13.03 H new ATOM 0 HA GLN A 9 8.731 1.941 -13.573 1.00 54.13 H new ATOM 0 HB2 GLN A 9 7.229 3.910 -12.083 1.00 5.42 H new ATOM 0 HB3 GLN A 9 7.973 4.696 -13.461 1.00 5.42 H new ATOM 0 HG2 GLN A 9 7.004 2.893 -14.936 1.00 4.24 H new ATOM 0 HG3 GLN A 9 6.164 2.257 -13.535 1.00 4.24 H new ATOM 0 HE21 GLN A 9 5.222 4.427 -12.200 1.00 13.21 H new ATOM 0 HE22 GLN A 9 4.115 5.351 -13.220 1.00 13.21 H new ATOM 144 N ARG A 10 10.471 4.617 -12.678 1.00 0.14 N ATOM 145 CA ARG A 10 11.650 5.408 -13.009 1.00 1.11 C ATOM 146 C ARG A 10 12.888 4.522 -13.114 1.00 75.52 C ATOM 147 O ARG A 10 13.674 4.644 -14.054 1.00 3.20 O ATOM 148 CB ARG A 10 11.875 6.493 -11.954 1.00 42.24 C ATOM 149 CG ARG A 10 10.726 7.482 -11.843 1.00 44.22 C ATOM 150 CD ARG A 10 10.387 7.781 -10.391 1.00 43.33 C ATOM 151 NE ARG A 10 10.447 9.211 -10.098 1.00 65.24 N ATOM 152 CZ ARG A 10 11.582 9.897 -10.016 1.00 31.10 C ATOM 153 NH1 ARG A 10 12.744 9.288 -10.204 1.00 23.52 N ATOM 154 NH2 ARG A 10 11.555 11.196 -9.746 1.00 31.23 N ATOM 0 H ARG A 10 9.951 4.954 -11.867 1.00 0.14 H new ATOM 0 HA ARG A 10 11.479 5.880 -13.976 1.00 1.11 H new ATOM 0 HB2 ARG A 10 12.030 6.019 -10.985 1.00 42.24 H new ATOM 0 HB3 ARG A 10 12.789 7.036 -12.193 1.00 42.24 H new ATOM 0 HG2 ARG A 10 10.991 8.408 -12.354 1.00 44.22 H new ATOM 0 HG3 ARG A 10 9.848 7.079 -12.347 1.00 44.22 H new ATOM 0 HD2 ARG A 10 9.388 7.407 -10.168 1.00 43.33 H new ATOM 0 HD3 ARG A 10 11.080 7.248 -9.740 1.00 43.33 H new ATOM 0 HE ARG A 10 9.570 9.710 -9.948 1.00 65.24 H new ATOM 0 HH11 ARG A 10 12.769 8.290 -10.412 1.00 23.52 H new ATOM 0 HH12 ARG A 10 13.613 9.817 -10.140 1.00 23.52 H new ATOM 0 HH21 ARG A 10 10.663 11.668 -9.601 1.00 31.23 H new ATOM 0 HH22 ARG A 10 12.427 11.722 -9.683 1.00 31.23 H new ATOM 168 N LEU A 11 13.054 3.629 -12.144 1.00 51.41 N ATOM 169 CA LEU A 11 14.196 2.722 -12.127 1.00 30.12 C ATOM 170 C LEU A 11 14.208 1.838 -13.370 1.00 44.52 C ATOM 171 O LEU A 11 15.259 1.602 -13.965 1.00 64.20 O ATOM 172 CB LEU A 11 14.162 1.852 -10.869 1.00 71.42 C ATOM 173 CG LEU A 11 14.926 2.390 -9.659 1.00 50.43 C ATOM 174 CD1 LEU A 11 14.182 2.069 -8.372 1.00 43.41 C ATOM 175 CD2 LEU A 11 16.335 1.818 -9.620 1.00 63.32 C ATOM 0 H LEU A 11 12.412 3.514 -11.360 1.00 51.41 H new ATOM 0 HA LEU A 11 15.106 3.322 -12.122 1.00 30.12 H new ATOM 0 HB2 LEU A 11 13.121 1.706 -10.581 1.00 71.42 H new ATOM 0 HB3 LEU A 11 14.564 0.870 -11.120 1.00 71.42 H new ATOM 0 HG LEU A 11 14.998 3.474 -9.752 1.00 50.43 H new ATOM 0 HD11 LEU A 11 14.741 2.460 -7.522 1.00 43.41 H new ATOM 0 HD12 LEU A 11 13.194 2.528 -8.399 1.00 43.41 H new ATOM 0 HD13 LEU A 11 14.077 0.989 -8.272 1.00 43.41 H new ATOM 0 HD21 LEU A 11 16.864 2.212 -8.752 1.00 63.32 H new ATOM 0 HD22 LEU A 11 16.285 0.731 -9.552 1.00 63.32 H new ATOM 0 HD23 LEU A 11 16.868 2.100 -10.528 1.00 63.32 H new ATOM 187 N ALA A 12 13.033 1.355 -13.758 1.00 53.43 N ATOM 188 CA ALA A 12 12.908 0.502 -14.933 1.00 72.13 C ATOM 189 C ALA A 12 13.343 1.238 -16.196 1.00 0.54 C ATOM 190 O ALA A 12 14.075 0.694 -17.022 1.00 2.53 O ATOM 191 CB ALA A 12 11.476 0.007 -15.076 1.00 62.40 C ATOM 0 H ALA A 12 12.154 1.540 -13.276 1.00 53.43 H new ATOM 0 HA ALA A 12 13.567 -0.356 -14.799 1.00 72.13 H new ATOM 0 HB1 ALA A 12 11.397 -0.629 -15.958 1.00 62.40 H new ATOM 0 HB2 ALA A 12 11.198 -0.565 -14.190 1.00 62.40 H new ATOM 0 HB3 ALA A 12 10.805 0.860 -15.182 1.00 62.40 H new ATOM 197 N ALA A 13 12.887 2.479 -16.338 1.00 61.44 N ATOM 198 CA ALA A 13 13.231 3.290 -17.500 1.00 32.24 C ATOM 199 C ALA A 13 14.729 3.569 -17.551 1.00 22.54 C ATOM 200 O ALA A 13 15.344 3.514 -18.616 1.00 40.51 O ATOM 201 CB ALA A 13 12.450 4.595 -17.481 1.00 55.33 C ATOM 0 H ALA A 13 12.279 2.944 -15.664 1.00 61.44 H new ATOM 0 HA ALA A 13 12.962 2.730 -18.396 1.00 32.24 H new ATOM 0 HB1 ALA A 13 12.716 5.191 -18.354 1.00 55.33 H new ATOM 0 HB2 ALA A 13 11.382 4.380 -17.501 1.00 55.33 H new ATOM 0 HB3 ALA A 13 12.692 5.151 -16.575 1.00 55.33 H new ATOM 207 N ILE A 14 15.310 3.867 -16.394 1.00 3.14 N ATOM 208 CA ILE A 14 16.737 4.154 -16.307 1.00 71.25 C ATOM 209 C ILE A 14 17.567 2.938 -16.705 1.00 30.13 C ATOM 210 O ILE A 14 18.560 3.058 -17.422 1.00 61.45 O ATOM 211 CB ILE A 14 17.138 4.593 -14.887 1.00 10.21 C ATOM 212 CG1 ILE A 14 16.343 5.832 -14.469 1.00 71.11 C ATOM 213 CG2 ILE A 14 18.633 4.869 -14.820 1.00 54.11 C ATOM 214 CD1 ILE A 14 16.057 5.894 -12.985 1.00 4.40 C ATOM 0 H ILE A 14 14.815 3.916 -15.504 1.00 3.14 H new ATOM 0 HA ILE A 14 16.937 4.971 -17.000 1.00 71.25 H new ATOM 0 HB ILE A 14 16.906 3.784 -14.194 1.00 10.21 H new ATOM 0 HG12 ILE A 14 16.896 6.724 -14.762 1.00 71.11 H new ATOM 0 HG13 ILE A 14 15.399 5.849 -15.014 1.00 71.11 H new ATOM 0 HG21 ILE A 14 18.901 5.178 -13.810 1.00 54.11 H new ATOM 0 HG22 ILE A 14 19.182 3.964 -15.080 1.00 54.11 H new ATOM 0 HG23 ILE A 14 18.888 5.663 -15.522 1.00 54.11 H new ATOM 0 HD11 ILE A 14 15.491 6.798 -12.761 1.00 4.40 H new ATOM 0 HD12 ILE A 14 15.477 5.020 -12.689 1.00 4.40 H new ATOM 0 HD13 ILE A 14 16.997 5.909 -12.434 1.00 4.40 H new ATOM 226 N LYS A 15 17.152 1.766 -16.235 1.00 5.33 N ATOM 227 CA LYS A 15 17.855 0.526 -16.542 1.00 53.15 C ATOM 228 C LYS A 15 17.722 0.178 -18.022 1.00 2.53 C ATOM 229 O LYS A 15 18.684 -0.254 -18.658 1.00 3.43 O ATOM 230 CB LYS A 15 17.308 -0.619 -15.688 1.00 31.45 C ATOM 231 CG LYS A 15 18.387 -1.532 -15.131 1.00 62.14 C ATOM 232 CD LYS A 15 17.979 -2.127 -13.794 1.00 65.31 C ATOM 233 CE LYS A 15 17.229 -3.438 -13.973 1.00 22.20 C ATOM 234 NZ LYS A 15 18.101 -4.617 -13.709 1.00 52.45 N ATOM 0 H LYS A 15 16.332 1.649 -15.640 1.00 5.33 H new ATOM 0 HA LYS A 15 18.911 0.670 -16.313 1.00 53.15 H new ATOM 0 HB2 LYS A 15 16.734 -0.202 -14.861 1.00 31.45 H new ATOM 0 HB3 LYS A 15 16.617 -1.211 -16.288 1.00 31.45 H new ATOM 0 HG2 LYS A 15 18.588 -2.334 -15.841 1.00 62.14 H new ATOM 0 HG3 LYS A 15 19.314 -0.971 -15.013 1.00 62.14 H new ATOM 0 HD2 LYS A 15 18.866 -2.295 -13.183 1.00 65.31 H new ATOM 0 HD3 LYS A 15 17.351 -1.418 -13.255 1.00 65.31 H new ATOM 0 HE2 LYS A 15 16.373 -3.461 -13.299 1.00 22.20 H new ATOM 0 HE3 LYS A 15 16.837 -3.496 -14.988 1.00 22.20 H new ATOM 0 HZ1 LYS A 15 17.805 -5.410 -14.313 1.00 52.45 H new ATOM 0 HZ2 LYS A 15 19.089 -4.372 -13.920 1.00 52.45 H new ATOM 0 HZ3 LYS A 15 18.018 -4.893 -12.710 1.00 52.45 H new ATOM 248 N THR A 16 16.524 0.371 -18.565 1.00 63.04 N ATOM 249 CA THR A 16 16.266 0.078 -19.970 1.00 3.34 C ATOM 250 C THR A 16 17.167 0.907 -20.878 1.00 55.35 C ATOM 251 O THR A 16 17.928 0.363 -21.678 1.00 23.54 O ATOM 252 CB THR A 16 14.795 0.348 -20.339 1.00 23.14 C ATOM 253 OG1 THR A 16 13.928 -0.362 -19.447 1.00 25.01 O ATOM 254 CG2 THR A 16 14.511 -0.073 -21.773 1.00 22.15 C ATOM 0 H THR A 16 15.717 0.729 -18.054 1.00 63.04 H new ATOM 0 HA THR A 16 16.481 -0.980 -20.118 1.00 3.34 H new ATOM 0 HB THR A 16 14.611 1.419 -20.248 1.00 23.14 H new ATOM 0 HG1 THR A 16 13.838 0.139 -18.610 1.00 25.01 H new ATOM 0 HG21 THR A 16 13.466 0.127 -22.011 1.00 22.15 H new ATOM 0 HG22 THR A 16 15.152 0.490 -22.451 1.00 22.15 H new ATOM 0 HG23 THR A 16 14.711 -1.139 -21.886 1.00 22.15 H new ATOM 262 N ARG A 17 17.074 2.227 -20.751 1.00 24.13 N ATOM 263 CA ARG A 17 17.881 3.131 -21.562 1.00 11.14 C ATOM 264 C ARG A 17 19.369 2.912 -21.304 1.00 72.40 C ATOM 265 O ARG A 17 20.194 3.064 -22.206 1.00 30.44 O ATOM 266 CB ARG A 17 17.510 4.585 -21.264 1.00 51.13 C ATOM 267 CG ARG A 17 16.560 5.192 -22.284 1.00 43.20 C ATOM 268 CD ARG A 17 15.133 4.715 -22.069 1.00 15.23 C ATOM 269 NE ARG A 17 14.435 4.489 -23.331 1.00 54.15 N ATOM 270 CZ ARG A 17 14.091 5.464 -24.166 1.00 62.21 C ATOM 271 NH1 ARG A 17 14.380 6.724 -23.873 1.00 41.24 N ATOM 272 NH2 ARG A 17 13.458 5.178 -25.297 1.00 12.33 N ATOM 0 H ARG A 17 16.448 2.694 -20.095 1.00 24.13 H new ATOM 0 HA ARG A 17 17.677 2.918 -22.611 1.00 11.14 H new ATOM 0 HB2 ARG A 17 17.052 4.639 -20.276 1.00 51.13 H new ATOM 0 HB3 ARG A 17 18.420 5.183 -21.227 1.00 51.13 H new ATOM 0 HG2 ARG A 17 16.596 6.279 -22.214 1.00 43.20 H new ATOM 0 HG3 ARG A 17 16.886 4.926 -23.290 1.00 43.20 H new ATOM 0 HD2 ARG A 17 15.143 3.792 -21.490 1.00 15.23 H new ATOM 0 HD3 ARG A 17 14.589 5.454 -21.481 1.00 15.23 H new ATOM 0 HE ARG A 17 14.198 3.530 -23.586 1.00 54.15 H new ATOM 0 HH11 ARG A 17 14.867 6.947 -23.005 1.00 41.24 H new ATOM 0 HH12 ARG A 17 14.115 7.471 -24.515 1.00 41.24 H new ATOM 0 HH21 ARG A 17 13.235 4.209 -25.526 1.00 12.33 H new ATOM 0 HH22 ARG A 17 13.194 5.927 -25.937 1.00 12.33 H new ATOM 286 N CYS A 18 19.704 2.554 -20.069 1.00 54.52 N ATOM 287 CA CYS A 18 21.092 2.315 -19.692 1.00 43.44 C ATOM 288 C CYS A 18 21.630 1.057 -20.367 1.00 13.33 C ATOM 289 O CYS A 18 22.772 1.027 -20.824 1.00 53.24 O ATOM 290 CB CYS A 18 21.215 2.187 -18.173 1.00 64.15 C ATOM 291 SG CYS A 18 22.769 1.446 -17.619 1.00 13.02 S ATOM 0 H CYS A 18 19.033 2.423 -19.312 1.00 54.52 H new ATOM 0 HA CYS A 18 21.685 3.166 -20.026 1.00 43.44 H new ATOM 0 HB2 CYS A 18 21.117 3.176 -17.726 1.00 64.15 H new ATOM 0 HB3 CYS A 18 20.385 1.586 -17.801 1.00 64.15 H new ATOM 0 HG CYS A 18 23.409 2.291 -16.866 1.00 13.02 H new ATOM 297 N GLN A 19 20.799 0.021 -20.422 1.00 42.21 N ATOM 298 CA GLN A 19 21.193 -1.240 -21.038 1.00 74.43 C ATOM 299 C GLN A 19 21.335 -1.087 -22.549 1.00 71.30 C ATOM 300 O GLN A 19 22.263 -1.624 -23.152 1.00 65.23 O ATOM 301 CB GLN A 19 20.168 -2.330 -20.718 1.00 72.04 C ATOM 302 CG GLN A 19 20.090 -2.677 -19.240 1.00 53.24 C ATOM 303 CD GLN A 19 20.722 -4.017 -18.921 1.00 45.12 C ATOM 304 OE1 GLN A 19 21.531 -4.534 -19.693 1.00 35.52 O ATOM 305 NE2 GLN A 19 20.358 -4.587 -17.779 1.00 12.13 N ATOM 0 H GLN A 19 19.850 0.030 -20.048 1.00 42.21 H new ATOM 0 HA GLN A 19 22.161 -1.529 -20.628 1.00 74.43 H new ATOM 0 HB2 GLN A 19 19.185 -2.004 -21.058 1.00 72.04 H new ATOM 0 HB3 GLN A 19 20.418 -3.229 -21.281 1.00 72.04 H new ATOM 0 HG2 GLN A 19 20.587 -1.898 -18.661 1.00 53.24 H new ATOM 0 HG3 GLN A 19 19.046 -2.689 -18.928 1.00 53.24 H new ATOM 0 HE21 GLN A 19 19.685 -4.123 -17.169 1.00 12.13 H new ATOM 0 HE22 GLN A 19 20.752 -5.489 -17.511 1.00 12.13 H new ATOM 314 N ALA A 20 20.408 -0.352 -23.154 1.00 42.31 N ATOM 315 CA ALA A 20 20.431 -0.127 -24.594 1.00 45.21 C ATOM 316 C ALA A 20 21.498 0.895 -24.973 1.00 25.30 C ATOM 317 O ALA A 20 22.076 0.831 -26.059 1.00 54.13 O ATOM 318 CB ALA A 20 19.064 0.331 -25.079 1.00 11.10 C ATOM 0 H ALA A 20 19.632 0.098 -22.669 1.00 42.31 H new ATOM 0 HA ALA A 20 20.679 -1.071 -25.080 1.00 45.21 H new ATOM 0 HB1 ALA A 20 19.096 0.495 -26.156 1.00 11.10 H new ATOM 0 HB2 ALA A 20 18.322 -0.434 -24.851 1.00 11.10 H new ATOM 0 HB3 ALA A 20 18.793 1.260 -24.578 1.00 11.10 H new ATOM 324 N LEU A 21 21.756 1.836 -24.072 1.00 12.22 N ATOM 325 CA LEU A 21 22.754 2.873 -24.312 1.00 32.21 C ATOM 326 C LEU A 21 22.444 3.641 -25.593 1.00 13.14 C ATOM 327 O LEU A 21 23.072 3.423 -26.627 1.00 63.23 O ATOM 328 CB LEU A 21 24.150 2.254 -24.401 1.00 32.54 C ATOM 329 CG LEU A 21 24.659 1.563 -23.135 1.00 62.42 C ATOM 330 CD1 LEU A 21 25.931 0.783 -23.428 1.00 63.52 C ATOM 331 CD2 LEU A 21 24.899 2.582 -22.031 1.00 33.33 C ATOM 0 H LEU A 21 21.288 1.903 -23.168 1.00 12.22 H new ATOM 0 HA LEU A 21 22.725 3.571 -23.475 1.00 32.21 H new ATOM 0 HB2 LEU A 21 24.153 1.528 -25.214 1.00 32.54 H new ATOM 0 HB3 LEU A 21 24.857 3.038 -24.672 1.00 32.54 H new ATOM 0 HG LEU A 21 23.897 0.862 -22.795 1.00 62.42 H new ATOM 0 HD11 LEU A 21 26.279 0.298 -22.516 1.00 63.52 H new ATOM 0 HD12 LEU A 21 25.728 0.027 -24.186 1.00 63.52 H new ATOM 0 HD13 LEU A 21 26.700 1.464 -23.792 1.00 63.52 H new ATOM 0 HD21 LEU A 21 25.261 2.072 -21.138 1.00 33.33 H new ATOM 0 HD22 LEU A 21 25.642 3.308 -22.361 1.00 33.33 H new ATOM 0 HD23 LEU A 21 23.966 3.097 -21.802 1.00 33.33 H new ATOM 343 N GLY A 22 21.471 4.544 -25.514 1.00 74.13 N ATOM 344 CA GLY A 22 21.095 5.333 -26.673 1.00 64.32 C ATOM 345 C GLY A 22 22.298 5.879 -27.417 1.00 62.50 C ATOM 346 O GLY A 22 22.277 6.001 -28.641 1.00 13.31 O ATOM 0 H GLY A 22 20.937 4.743 -24.668 1.00 74.13 H new ATOM 0 HA2 GLY A 22 20.501 4.719 -27.350 1.00 64.32 H new ATOM 0 HA3 GLY A 22 20.462 6.161 -26.355 1.00 64.32 H new ATOM 393 N GLU A 27 22.781 11.720 -21.603 1.00 51.50 N ATOM 394 CA GLU A 27 21.780 10.842 -21.009 1.00 51.02 C ATOM 395 C GLU A 27 22.405 9.948 -19.942 1.00 61.23 C ATOM 396 O GLU A 27 21.840 9.763 -18.864 1.00 23.44 O ATOM 397 CB GLU A 27 21.119 9.982 -22.088 1.00 65.34 C ATOM 398 CG GLU A 27 21.262 8.488 -21.848 1.00 43.21 C ATOM 399 CD GLU A 27 20.483 7.659 -22.850 1.00 71.13 C ATOM 400 OE1 GLU A 27 19.235 7.695 -22.808 1.00 65.34 O ATOM 401 OE2 GLU A 27 21.121 6.974 -23.677 1.00 4.02 O ATOM 0 HA GLU A 27 21.021 11.466 -20.537 1.00 51.02 H new ATOM 0 HB2 GLU A 27 20.060 10.233 -22.142 1.00 65.34 H new ATOM 0 HB3 GLU A 27 21.555 10.229 -23.056 1.00 65.34 H new ATOM 0 HG2 GLU A 27 22.316 8.215 -21.898 1.00 43.21 H new ATOM 0 HG3 GLU A 27 20.919 8.251 -20.841 1.00 43.21 H new ATOM 408 N CYS A 28 23.573 9.396 -20.252 1.00 20.02 N ATOM 409 CA CYS A 28 24.275 8.520 -19.321 1.00 22.41 C ATOM 410 C CYS A 28 24.590 9.250 -18.019 1.00 61.33 C ATOM 411 O CYS A 28 24.475 8.681 -16.934 1.00 0.42 O ATOM 412 CB CYS A 28 25.567 7.999 -19.953 1.00 52.43 C ATOM 413 SG CYS A 28 25.347 7.283 -21.599 1.00 14.02 S ATOM 0 H CYS A 28 24.053 9.539 -21.140 1.00 20.02 H new ATOM 0 HA CYS A 28 23.624 7.676 -19.095 1.00 22.41 H new ATOM 0 HB2 CYS A 28 26.283 8.818 -20.018 1.00 52.43 H new ATOM 0 HB3 CYS A 28 26.002 7.246 -19.296 1.00 52.43 H new ATOM 0 HG CYS A 28 26.495 6.873 -22.051 1.00 14.02 H new ATOM 419 N ALA A 29 24.990 10.512 -18.137 1.00 34.25 N ATOM 420 CA ALA A 29 25.321 11.320 -16.969 1.00 70.35 C ATOM 421 C ALA A 29 24.116 11.472 -16.047 1.00 62.11 C ATOM 422 O ALA A 29 24.193 11.174 -14.856 1.00 4.45 O ATOM 423 CB ALA A 29 25.833 12.686 -17.401 1.00 63.34 C ATOM 0 H ALA A 29 25.093 10.997 -19.029 1.00 34.25 H new ATOM 0 HA ALA A 29 26.107 10.808 -16.414 1.00 70.35 H new ATOM 0 HB1 ALA A 29 26.076 13.279 -16.519 1.00 63.34 H new ATOM 0 HB2 ALA A 29 26.726 12.563 -18.013 1.00 63.34 H new ATOM 0 HB3 ALA A 29 25.064 13.196 -17.980 1.00 63.34 H new ATOM 429 N ALA A 30 23.004 11.938 -16.606 1.00 21.20 N ATOM 430 CA ALA A 30 21.783 12.128 -15.833 1.00 52.15 C ATOM 431 C ALA A 30 21.347 10.828 -15.166 1.00 50.12 C ATOM 432 O ALA A 30 20.800 10.838 -14.063 1.00 74.34 O ATOM 433 CB ALA A 30 20.672 12.664 -16.725 1.00 44.01 C ATOM 0 H ALA A 30 22.924 12.191 -17.591 1.00 21.20 H new ATOM 0 HA ALA A 30 21.989 12.857 -15.049 1.00 52.15 H new ATOM 0 HB1 ALA A 30 19.766 12.801 -16.135 1.00 44.01 H new ATOM 0 HB2 ALA A 30 20.976 13.620 -17.150 1.00 44.01 H new ATOM 0 HB3 ALA A 30 20.477 11.955 -17.529 1.00 44.01 H new ATOM 439 N PHE A 31 21.592 9.710 -15.842 1.00 5.41 N ATOM 440 CA PHE A 31 21.224 8.402 -15.315 1.00 34.32 C ATOM 441 C PHE A 31 22.038 8.068 -14.068 1.00 43.14 C ATOM 442 O PHE A 31 21.488 7.664 -13.045 1.00 33.01 O ATOM 443 CB PHE A 31 21.433 7.322 -16.379 1.00 1.32 C ATOM 444 CG PHE A 31 20.245 7.127 -17.277 1.00 32.05 C ATOM 445 CD1 PHE A 31 19.441 8.200 -17.627 1.00 63.14 C ATOM 446 CD2 PHE A 31 19.932 5.871 -17.770 1.00 72.21 C ATOM 447 CE1 PHE A 31 18.347 8.023 -18.453 1.00 31.44 C ATOM 448 CE2 PHE A 31 18.839 5.687 -18.596 1.00 51.52 C ATOM 449 CZ PHE A 31 18.046 6.765 -18.939 1.00 0.23 C ATOM 0 H PHE A 31 22.044 9.684 -16.756 1.00 5.41 H new ATOM 0 HA PHE A 31 20.169 8.433 -15.041 1.00 34.32 H new ATOM 0 HB2 PHE A 31 22.299 7.585 -16.987 1.00 1.32 H new ATOM 0 HB3 PHE A 31 21.665 6.378 -15.886 1.00 1.32 H new ATOM 0 HD1 PHE A 31 19.672 9.185 -17.250 1.00 63.14 H new ATOM 0 HD2 PHE A 31 20.549 5.025 -17.506 1.00 72.21 H new ATOM 0 HE1 PHE A 31 17.728 8.867 -18.718 1.00 31.44 H new ATOM 0 HE2 PHE A 31 18.605 4.702 -18.973 1.00 51.52 H new ATOM 0 HZ PHE A 31 17.192 6.625 -19.586 1.00 0.23 H new ATOM 459 N GLU A 32 23.353 8.240 -14.164 1.00 40.04 N ATOM 460 CA GLU A 32 24.244 7.956 -13.045 1.00 74.24 C ATOM 461 C GLU A 32 23.864 8.787 -11.823 1.00 72.41 C ATOM 462 O GLU A 32 23.854 8.288 -10.697 1.00 74.25 O ATOM 463 CB GLU A 32 25.696 8.238 -13.436 1.00 71.11 C ATOM 464 CG GLU A 32 26.487 6.988 -13.783 1.00 74.31 C ATOM 465 CD GLU A 32 27.980 7.170 -13.591 1.00 33.43 C ATOM 466 OE1 GLU A 32 28.421 8.326 -13.426 1.00 13.15 O ATOM 467 OE2 GLU A 32 28.707 6.154 -13.605 1.00 1.40 O ATOM 0 H GLU A 32 23.824 8.574 -15.004 1.00 40.04 H new ATOM 0 HA GLU A 32 24.142 6.901 -12.791 1.00 74.24 H new ATOM 0 HB2 GLU A 32 25.708 8.914 -14.291 1.00 71.11 H new ATOM 0 HB3 GLU A 32 26.191 8.754 -12.614 1.00 71.11 H new ATOM 0 HG2 GLU A 32 26.143 6.161 -13.162 1.00 74.31 H new ATOM 0 HG3 GLU A 32 26.289 6.713 -14.819 1.00 74.31 H new ATOM 474 N LYS A 33 23.552 10.058 -12.053 1.00 23.33 N ATOM 475 CA LYS A 33 23.171 10.960 -10.972 1.00 72.34 C ATOM 476 C LYS A 33 21.879 10.496 -10.307 1.00 22.22 C ATOM 477 O LYS A 33 21.837 10.284 -9.095 1.00 54.04 O ATOM 478 CB LYS A 33 22.999 12.384 -11.506 1.00 22.30 C ATOM 479 CG LYS A 33 23.890 13.403 -10.817 1.00 33.04 C ATOM 480 CD LYS A 33 25.320 13.327 -11.323 1.00 62.31 C ATOM 481 CE LYS A 33 26.013 14.678 -11.241 1.00 4.01 C ATOM 482 NZ LYS A 33 26.594 14.922 -9.892 1.00 3.24 N ATOM 0 H LYS A 33 23.555 10.487 -12.978 1.00 23.33 H new ATOM 0 HA LYS A 33 23.966 10.951 -10.227 1.00 72.34 H new ATOM 0 HB2 LYS A 33 23.213 12.391 -12.575 1.00 22.30 H new ATOM 0 HB3 LYS A 33 21.958 12.685 -11.387 1.00 22.30 H new ATOM 0 HG2 LYS A 33 23.496 14.405 -10.986 1.00 33.04 H new ATOM 0 HG3 LYS A 33 23.875 13.232 -9.741 1.00 33.04 H new ATOM 0 HD2 LYS A 33 25.876 12.596 -10.737 1.00 62.31 H new ATOM 0 HD3 LYS A 33 25.324 12.977 -12.355 1.00 62.31 H new ATOM 0 HE2 LYS A 33 26.803 14.727 -11.991 1.00 4.01 H new ATOM 0 HE3 LYS A 33 25.299 15.467 -11.477 1.00 4.01 H new ATOM 0 HZ1 LYS A 33 27.057 15.853 -9.877 1.00 3.24 H new ATOM 0 HZ2 LYS A 33 25.837 14.900 -9.179 1.00 3.24 H new ATOM 0 HZ3 LYS A 33 27.294 14.183 -9.677 1.00 3.24 H new ATOM 496 N GLU A 34 20.829 10.339 -11.107 1.00 64.12 N ATOM 497 CA GLU A 34 19.537 9.899 -10.594 1.00 3.20 C ATOM 498 C GLU A 34 19.685 8.624 -9.768 1.00 41.25 C ATOM 499 O GLU A 34 19.151 8.522 -8.664 1.00 14.32 O ATOM 500 CB GLU A 34 18.559 9.663 -11.747 1.00 23.13 C ATOM 501 CG GLU A 34 17.254 10.428 -11.604 1.00 44.24 C ATOM 502 CD GLU A 34 16.297 10.168 -12.751 1.00 61.32 C ATOM 503 OE1 GLU A 34 16.540 10.695 -13.857 1.00 61.42 O ATOM 504 OE2 GLU A 34 15.306 9.438 -12.543 1.00 73.21 O ATOM 0 H GLU A 34 20.848 10.510 -12.112 1.00 64.12 H new ATOM 0 HA GLU A 34 19.144 10.685 -9.949 1.00 3.20 H new ATOM 0 HB2 GLU A 34 19.038 9.950 -12.683 1.00 23.13 H new ATOM 0 HB3 GLU A 34 18.340 8.597 -11.814 1.00 23.13 H new ATOM 0 HG2 GLU A 34 16.775 10.149 -10.666 1.00 44.24 H new ATOM 0 HG3 GLU A 34 17.467 11.496 -11.548 1.00 44.24 H new ATOM 511 N ILE A 35 20.413 7.655 -10.313 1.00 11.11 N ATOM 512 CA ILE A 35 20.631 6.388 -9.627 1.00 65.52 C ATOM 513 C ILE A 35 21.365 6.596 -8.306 1.00 55.15 C ATOM 514 O ILE A 35 21.013 6.000 -7.289 1.00 14.42 O ATOM 515 CB ILE A 35 21.438 5.407 -10.500 1.00 13.33 C ATOM 516 CG1 ILE A 35 20.632 5.011 -11.738 1.00 54.13 C ATOM 517 CG2 ILE A 35 21.822 4.175 -9.695 1.00 22.13 C ATOM 518 CD1 ILE A 35 19.421 4.160 -11.425 1.00 12.45 C ATOM 0 H ILE A 35 20.861 7.723 -11.227 1.00 11.11 H new ATOM 0 HA ILE A 35 19.647 5.963 -9.430 1.00 65.52 H new ATOM 0 HB ILE A 35 22.352 5.902 -10.828 1.00 13.33 H new ATOM 0 HG12 ILE A 35 20.307 5.914 -12.254 1.00 54.13 H new ATOM 0 HG13 ILE A 35 21.280 4.467 -12.425 1.00 54.13 H new ATOM 0 HG21 ILE A 35 22.391 3.492 -10.325 1.00 22.13 H new ATOM 0 HG22 ILE A 35 22.430 4.473 -8.841 1.00 22.13 H new ATOM 0 HG23 ILE A 35 20.920 3.676 -9.341 1.00 22.13 H new ATOM 0 HD11 ILE A 35 18.898 3.917 -12.350 1.00 12.45 H new ATOM 0 HD12 ILE A 35 19.740 3.239 -10.936 1.00 12.45 H new ATOM 0 HD13 ILE A 35 18.752 4.709 -10.763 1.00 12.45 H new ATOM 530 N ALA A 36 22.385 7.448 -8.330 1.00 73.53 N ATOM 531 CA ALA A 36 23.165 7.738 -7.134 1.00 42.21 C ATOM 532 C ALA A 36 22.269 8.219 -5.998 1.00 24.05 C ATOM 533 O ALA A 36 22.370 7.737 -4.870 1.00 13.55 O ATOM 534 CB ALA A 36 24.235 8.776 -7.441 1.00 14.10 C ATOM 0 H ALA A 36 22.690 7.949 -9.165 1.00 73.53 H new ATOM 0 HA ALA A 36 23.650 6.816 -6.814 1.00 42.21 H new ATOM 0 HB1 ALA A 36 24.810 8.983 -6.539 1.00 14.10 H new ATOM 0 HB2 ALA A 36 24.900 8.395 -8.216 1.00 14.10 H new ATOM 0 HB3 ALA A 36 23.762 9.694 -7.789 1.00 14.10 H new ATOM 540 N ALA A 37 21.394 9.172 -6.302 1.00 64.34 N ATOM 541 CA ALA A 37 20.480 9.716 -5.306 1.00 42.44 C ATOM 542 C ALA A 37 19.492 8.657 -4.831 1.00 13.10 C ATOM 543 O ALA A 37 19.154 8.595 -3.649 1.00 12.03 O ATOM 544 CB ALA A 37 19.738 10.918 -5.873 1.00 34.34 C ATOM 0 H ALA A 37 21.299 9.583 -7.231 1.00 64.34 H new ATOM 0 HA ALA A 37 21.067 10.038 -4.446 1.00 42.44 H new ATOM 0 HB1 ALA A 37 19.058 11.315 -5.119 1.00 34.34 H new ATOM 0 HB2 ALA A 37 20.456 11.688 -6.156 1.00 34.34 H new ATOM 0 HB3 ALA A 37 19.168 10.613 -6.751 1.00 34.34 H new ATOM 550 N PHE A 38 19.031 7.826 -5.759 1.00 74.44 N ATOM 551 CA PHE A 38 18.079 6.769 -5.435 1.00 50.31 C ATOM 552 C PHE A 38 18.640 5.843 -4.361 1.00 23.44 C ATOM 553 O PHE A 38 18.018 5.634 -3.320 1.00 11.32 O ATOM 554 CB PHE A 38 17.732 5.964 -6.689 1.00 31.32 C ATOM 555 CG PHE A 38 16.398 6.319 -7.280 1.00 14.54 C ATOM 556 CD1 PHE A 38 16.019 7.645 -7.422 1.00 65.21 C ATOM 557 CD2 PHE A 38 15.522 5.329 -7.693 1.00 32.31 C ATOM 558 CE1 PHE A 38 14.792 7.975 -7.965 1.00 31.33 C ATOM 559 CE2 PHE A 38 14.293 5.653 -8.237 1.00 30.53 C ATOM 560 CZ PHE A 38 13.928 6.977 -8.374 1.00 1.54 C ATOM 0 H PHE A 38 19.301 7.863 -6.742 1.00 74.44 H new ATOM 0 HA PHE A 38 17.173 7.236 -5.050 1.00 50.31 H new ATOM 0 HB2 PHE A 38 18.507 6.124 -7.439 1.00 31.32 H new ATOM 0 HB3 PHE A 38 17.740 4.902 -6.443 1.00 31.32 H new ATOM 0 HD1 PHE A 38 16.691 8.429 -7.105 1.00 65.21 H new ATOM 0 HD2 PHE A 38 15.802 4.291 -7.589 1.00 32.31 H new ATOM 0 HE1 PHE A 38 14.508 9.012 -8.070 1.00 31.33 H new ATOM 0 HE2 PHE A 38 13.619 4.871 -8.554 1.00 30.53 H new ATOM 0 HZ PHE A 38 12.969 7.233 -8.800 1.00 1.54 H new ATOM 570 N GLU A 39 19.820 5.289 -4.622 1.00 44.23 N ATOM 571 CA GLU A 39 20.465 4.384 -3.678 1.00 71.35 C ATOM 572 C GLU A 39 20.785 5.100 -2.370 1.00 20.25 C ATOM 573 O GLU A 39 20.650 4.528 -1.288 1.00 11.23 O ATOM 574 CB GLU A 39 21.747 3.808 -4.284 1.00 75.31 C ATOM 575 CG GLU A 39 22.749 4.868 -4.709 1.00 30.34 C ATOM 576 CD GLU A 39 24.002 4.273 -5.321 1.00 43.31 C ATOM 577 OE1 GLU A 39 23.897 3.648 -6.397 1.00 50.22 O ATOM 578 OE2 GLU A 39 25.088 4.433 -4.725 1.00 32.21 O ATOM 0 H GLU A 39 20.349 5.451 -5.479 1.00 44.23 H new ATOM 0 HA GLU A 39 19.774 3.568 -3.466 1.00 71.35 H new ATOM 0 HB2 GLU A 39 22.217 3.146 -3.557 1.00 75.31 H new ATOM 0 HB3 GLU A 39 21.488 3.198 -5.149 1.00 75.31 H new ATOM 0 HG2 GLU A 39 22.280 5.538 -5.430 1.00 30.34 H new ATOM 0 HG3 GLU A 39 23.023 5.472 -3.844 1.00 30.34 H new ATOM 585 N SER A 40 21.211 6.354 -2.477 1.00 14.40 N ATOM 586 CA SER A 40 21.555 7.148 -1.303 1.00 54.10 C ATOM 587 C SER A 40 20.327 7.384 -0.428 1.00 41.54 C ATOM 588 O SER A 40 20.433 7.488 0.793 1.00 24.31 O ATOM 589 CB SER A 40 22.159 8.488 -1.726 1.00 51.35 C ATOM 590 OG SER A 40 22.534 9.258 -0.597 1.00 55.34 O ATOM 0 H SER A 40 21.326 6.843 -3.365 1.00 14.40 H new ATOM 0 HA SER A 40 22.292 6.593 -0.723 1.00 54.10 H new ATOM 0 HB2 SER A 40 23.030 8.314 -2.357 1.00 51.35 H new ATOM 0 HB3 SER A 40 21.437 9.043 -2.325 1.00 51.35 H new ATOM 0 HG SER A 40 22.919 10.109 -0.894 1.00 55.34 H new ATOM 596 N GLU A 41 19.163 7.469 -1.064 1.00 54.11 N ATOM 597 CA GLU A 41 17.915 7.694 -0.344 1.00 53.32 C ATOM 598 C GLU A 41 17.366 6.385 0.216 1.00 51.11 C ATOM 599 O GLU A 41 16.728 6.366 1.269 1.00 0.35 O ATOM 600 CB GLU A 41 16.878 8.342 -1.265 1.00 65.12 C ATOM 601 CG GLU A 41 17.144 9.812 -1.542 1.00 4.12 C ATOM 602 CD GLU A 41 16.277 10.730 -0.702 1.00 71.25 C ATOM 603 OE1 GLU A 41 16.570 10.887 0.501 1.00 13.21 O ATOM 604 OE2 GLU A 41 15.305 11.291 -1.250 1.00 52.03 O ATOM 0 H GLU A 41 19.058 7.386 -2.075 1.00 54.11 H new ATOM 0 HA GLU A 41 18.122 8.367 0.488 1.00 53.32 H new ATOM 0 HB2 GLU A 41 16.856 7.801 -2.211 1.00 65.12 H new ATOM 0 HB3 GLU A 41 15.890 8.239 -0.816 1.00 65.12 H new ATOM 0 HG2 GLU A 41 18.194 10.031 -1.347 1.00 4.12 H new ATOM 0 HG3 GLU A 41 16.967 10.017 -2.598 1.00 4.12 H new ATOM 611 N LEU A 42 17.618 5.292 -0.496 1.00 53.42 N ATOM 612 CA LEU A 42 17.149 3.978 -0.072 1.00 20.33 C ATOM 613 C LEU A 42 18.028 3.420 1.043 1.00 64.22 C ATOM 614 O LEU A 42 17.583 2.600 1.845 1.00 23.31 O ATOM 615 CB LEU A 42 17.135 3.012 -1.258 1.00 22.11 C ATOM 616 CG LEU A 42 16.228 3.397 -2.427 1.00 15.15 C ATOM 617 CD1 LEU A 42 16.767 2.831 -3.731 1.00 21.23 C ATOM 618 CD2 LEU A 42 14.806 2.913 -2.180 1.00 62.41 C ATOM 0 H LEU A 42 18.145 5.290 -1.370 1.00 53.42 H new ATOM 0 HA LEU A 42 16.134 4.088 0.311 1.00 20.33 H new ATOM 0 HB2 LEU A 42 18.154 2.913 -1.632 1.00 22.11 H new ATOM 0 HB3 LEU A 42 16.831 2.029 -0.897 1.00 22.11 H new ATOM 0 HG LEU A 42 16.212 4.484 -2.507 1.00 15.15 H new ATOM 0 HD11 LEU A 42 16.108 3.116 -4.551 1.00 21.23 H new ATOM 0 HD12 LEU A 42 17.766 3.227 -3.914 1.00 21.23 H new ATOM 0 HD13 LEU A 42 16.814 1.744 -3.664 1.00 21.23 H new ATOM 0 HD21 LEU A 42 14.174 3.196 -3.022 1.00 62.41 H new ATOM 0 HD22 LEU A 42 14.804 1.828 -2.073 1.00 62.41 H new ATOM 0 HD23 LEU A 42 14.420 3.368 -1.268 1.00 62.41 H new ATOM 630 N GLN A 43 19.277 3.872 1.086 1.00 25.14 N ATOM 631 CA GLN A 43 20.218 3.419 2.104 1.00 64.51 C ATOM 632 C GLN A 43 19.892 4.034 3.460 1.00 12.34 C ATOM 633 O GLN A 43 20.293 3.515 4.501 1.00 5.24 O ATOM 634 CB GLN A 43 21.650 3.775 1.700 1.00 50.21 C ATOM 635 CG GLN A 43 21.997 5.239 1.919 1.00 61.13 C ATOM 636 CD GLN A 43 22.984 5.442 3.051 1.00 22.44 C ATOM 637 OE1 GLN A 43 23.088 4.612 3.955 1.00 24.03 O ATOM 638 NE2 GLN A 43 23.716 6.549 3.008 1.00 32.14 N ATOM 0 H GLN A 43 19.661 4.551 0.429 1.00 25.14 H new ATOM 0 HA GLN A 43 20.130 2.336 2.187 1.00 64.51 H new ATOM 0 HB2 GLN A 43 22.344 3.156 2.269 1.00 50.21 H new ATOM 0 HB3 GLN A 43 21.794 3.529 0.648 1.00 50.21 H new ATOM 0 HG2 GLN A 43 22.414 5.651 1.000 1.00 61.13 H new ATOM 0 HG3 GLN A 43 21.085 5.796 2.133 1.00 61.13 H new ATOM 0 HE21 GLN A 43 23.597 7.210 2.240 1.00 32.14 H new ATOM 0 HE22 GLN A 43 24.397 6.739 3.743 1.00 32.14 H new ATOM 647 N ALA A 44 19.161 5.144 3.440 1.00 1.24 N ATOM 648 CA ALA A 44 18.779 5.830 4.669 1.00 63.32 C ATOM 649 C ALA A 44 17.734 5.032 5.440 1.00 34.14 C ATOM 650 O ALA A 44 17.678 5.088 6.669 1.00 12.41 O ATOM 651 CB ALA A 44 18.257 7.224 4.355 1.00 74.43 C ATOM 0 H ALA A 44 18.821 5.587 2.586 1.00 1.24 H new ATOM 0 HA ALA A 44 19.665 5.920 5.297 1.00 63.32 H new ATOM 0 HB1 ALA A 44 17.976 7.724 5.282 1.00 74.43 H new ATOM 0 HB2 ALA A 44 19.035 7.800 3.854 1.00 74.43 H new ATOM 0 HB3 ALA A 44 17.386 7.148 3.704 1.00 74.43 H new ATOM 764 N GLU A 52 11.217 -3.964 1.822 1.00 2.34 N ATOM 765 CA GLU A 52 11.025 -3.798 0.386 1.00 21.25 C ATOM 766 C GLU A 52 12.133 -2.938 -0.215 1.00 70.20 C ATOM 767 O GLU A 52 12.527 -3.129 -1.366 1.00 13.32 O ATOM 768 CB GLU A 52 9.662 -3.165 0.101 1.00 35.34 C ATOM 769 CG GLU A 52 9.404 -1.893 0.891 1.00 43.44 C ATOM 770 CD GLU A 52 8.857 -0.772 0.028 1.00 1.10 C ATOM 771 OE1 GLU A 52 7.808 -0.977 -0.617 1.00 14.13 O ATOM 772 OE2 GLU A 52 9.479 0.311 -0.002 1.00 20.24 O ATOM 0 HA GLU A 52 11.063 -4.784 -0.076 1.00 21.25 H new ATOM 0 HB2 GLU A 52 9.590 -2.942 -0.964 1.00 35.34 H new ATOM 0 HB3 GLU A 52 8.880 -3.889 0.329 1.00 35.34 H new ATOM 0 HG2 GLU A 52 8.699 -2.105 1.694 1.00 43.44 H new ATOM 0 HG3 GLU A 52 10.332 -1.566 1.360 1.00 43.44 H new ATOM 779 N VAL A 53 12.631 -1.990 0.572 1.00 25.12 N ATOM 780 CA VAL A 53 13.694 -1.101 0.119 1.00 40.51 C ATOM 781 C VAL A 53 14.909 -1.891 -0.352 1.00 63.42 C ATOM 782 O VAL A 53 15.663 -1.436 -1.212 1.00 11.14 O ATOM 783 CB VAL A 53 14.127 -0.130 1.234 1.00 64.23 C ATOM 784 CG1 VAL A 53 15.122 0.888 0.699 1.00 45.25 C ATOM 785 CG2 VAL A 53 12.915 0.563 1.837 1.00 22.12 C ATOM 0 H VAL A 53 12.315 -1.818 1.527 1.00 25.12 H new ATOM 0 HA VAL A 53 13.292 -0.528 -0.716 1.00 40.51 H new ATOM 0 HB VAL A 53 14.618 -0.703 2.021 1.00 64.23 H new ATOM 0 HG11 VAL A 53 15.416 1.565 1.501 1.00 45.25 H new ATOM 0 HG12 VAL A 53 16.003 0.371 0.319 1.00 45.25 H new ATOM 0 HG13 VAL A 53 14.661 1.459 -0.107 1.00 45.25 H new ATOM 0 HG21 VAL A 53 13.239 1.245 2.623 1.00 22.12 H new ATOM 0 HG22 VAL A 53 12.394 1.124 1.062 1.00 22.12 H new ATOM 0 HG23 VAL A 53 12.242 -0.183 2.259 1.00 22.12 H new ATOM 795 N GLU A 54 15.093 -3.079 0.217 1.00 54.14 N ATOM 796 CA GLU A 54 16.217 -3.933 -0.146 1.00 24.22 C ATOM 797 C GLU A 54 16.305 -4.105 -1.660 1.00 12.34 C ATOM 798 O GLU A 54 17.339 -3.831 -2.267 1.00 43.21 O ATOM 799 CB GLU A 54 16.085 -5.301 0.527 1.00 72.24 C ATOM 800 CG GLU A 54 16.372 -5.277 2.019 1.00 52.55 C ATOM 801 CD GLU A 54 17.843 -5.465 2.333 1.00 43.43 C ATOM 802 OE1 GLU A 54 18.675 -5.253 1.425 1.00 32.31 O ATOM 803 OE2 GLU A 54 18.163 -5.823 3.485 1.00 24.02 O ATOM 0 H GLU A 54 14.478 -3.471 0.930 1.00 54.14 H new ATOM 0 HA GLU A 54 17.132 -3.452 0.201 1.00 24.22 H new ATOM 0 HB2 GLU A 54 15.076 -5.680 0.366 1.00 72.24 H new ATOM 0 HB3 GLU A 54 16.768 -6.001 0.046 1.00 72.24 H new ATOM 0 HG2 GLU A 54 16.034 -4.328 2.435 1.00 52.55 H new ATOM 0 HG3 GLU A 54 15.797 -6.063 2.509 1.00 52.55 H new ATOM 810 N ALA A 55 15.211 -4.560 -2.262 1.00 22.43 N ATOM 811 CA ALA A 55 15.163 -4.767 -3.704 1.00 30.43 C ATOM 812 C ALA A 55 15.628 -3.523 -4.453 1.00 24.33 C ATOM 813 O ALA A 55 16.498 -3.598 -5.322 1.00 21.32 O ATOM 814 CB ALA A 55 13.755 -5.150 -4.135 1.00 51.32 C ATOM 0 H ALA A 55 14.346 -4.792 -1.773 1.00 22.43 H new ATOM 0 HA ALA A 55 15.842 -5.583 -3.952 1.00 30.43 H new ATOM 0 HB1 ALA A 55 13.733 -5.302 -5.214 1.00 51.32 H new ATOM 0 HB2 ALA A 55 13.459 -6.071 -3.633 1.00 51.32 H new ATOM 0 HB3 ALA A 55 13.063 -4.352 -3.867 1.00 51.32 H new ATOM 820 N LEU A 56 15.044 -2.380 -4.112 1.00 23.05 N ATOM 821 CA LEU A 56 15.399 -1.119 -4.753 1.00 10.54 C ATOM 822 C LEU A 56 16.903 -0.873 -4.678 1.00 34.44 C ATOM 823 O LEU A 56 17.526 -0.471 -5.660 1.00 54.12 O ATOM 824 CB LEU A 56 14.648 0.040 -4.093 1.00 64.14 C ATOM 825 CG LEU A 56 13.150 0.123 -4.387 1.00 60.50 C ATOM 826 CD1 LEU A 56 12.483 1.140 -3.475 1.00 34.12 C ATOM 827 CD2 LEU A 56 12.912 0.476 -5.848 1.00 35.12 C ATOM 0 H LEU A 56 14.323 -2.300 -3.395 1.00 23.05 H new ATOM 0 HA LEU A 56 15.112 -1.180 -5.803 1.00 10.54 H new ATOM 0 HB2 LEU A 56 14.783 -0.034 -3.014 1.00 64.14 H new ATOM 0 HB3 LEU A 56 15.112 0.974 -4.409 1.00 64.14 H new ATOM 0 HG LEU A 56 12.706 -0.854 -4.193 1.00 60.50 H new ATOM 0 HD11 LEU A 56 11.417 1.185 -3.699 1.00 34.12 H new ATOM 0 HD12 LEU A 56 12.623 0.844 -2.435 1.00 34.12 H new ATOM 0 HD13 LEU A 56 12.930 2.121 -3.636 1.00 34.12 H new ATOM 0 HD21 LEU A 56 11.840 0.531 -6.039 1.00 35.12 H new ATOM 0 HD22 LEU A 56 13.370 1.440 -6.069 1.00 35.12 H new ATOM 0 HD23 LEU A 56 13.355 -0.290 -6.484 1.00 35.12 H new ATOM 839 N ARG A 57 17.480 -1.121 -3.506 1.00 55.12 N ATOM 840 CA ARG A 57 18.910 -0.928 -3.303 1.00 64.14 C ATOM 841 C ARG A 57 19.718 -1.799 -4.262 1.00 35.14 C ATOM 842 O ARG A 57 20.673 -1.335 -4.884 1.00 61.44 O ATOM 843 CB ARG A 57 19.291 -1.254 -1.858 1.00 14.21 C ATOM 844 CG ARG A 57 18.957 -0.143 -0.875 1.00 61.23 C ATOM 845 CD ARG A 57 19.996 0.966 -0.915 1.00 5.15 C ATOM 846 NE ARG A 57 21.211 0.604 -0.189 1.00 0.02 N ATOM 847 CZ ARG A 57 22.388 1.186 -0.389 1.00 41.04 C ATOM 848 NH1 ARG A 57 22.509 2.153 -1.288 1.00 74.05 N ATOM 849 NH2 ARG A 57 23.448 0.801 0.311 1.00 53.44 N ATOM 0 H ARG A 57 16.979 -1.456 -2.683 1.00 55.12 H new ATOM 0 HA ARG A 57 19.142 0.118 -3.505 1.00 64.14 H new ATOM 0 HB2 ARG A 57 18.777 -2.165 -1.552 1.00 14.21 H new ATOM 0 HB3 ARG A 57 20.360 -1.460 -1.811 1.00 14.21 H new ATOM 0 HG2 ARG A 57 17.975 0.268 -1.109 1.00 61.23 H new ATOM 0 HG3 ARG A 57 18.899 -0.553 0.133 1.00 61.23 H new ATOM 0 HD2 ARG A 57 20.247 1.191 -1.952 1.00 5.15 H new ATOM 0 HD3 ARG A 57 19.574 1.874 -0.485 1.00 5.15 H new ATOM 0 HE ARG A 57 21.152 -0.137 0.510 1.00 0.02 H new ATOM 0 HH11 ARG A 57 21.697 2.452 -1.828 1.00 74.05 H new ATOM 0 HH12 ARG A 57 23.414 2.598 -1.439 1.00 74.05 H new ATOM 0 HH21 ARG A 57 23.359 0.057 1.003 1.00 53.44 H new ATOM 0 HH22 ARG A 57 24.351 1.249 0.156 1.00 53.44 H new ATOM 863 N LYS A 58 19.327 -3.064 -4.375 1.00 21.15 N ATOM 864 CA LYS A 58 20.013 -4.001 -5.257 1.00 35.13 C ATOM 865 C LYS A 58 19.992 -3.505 -6.699 1.00 3.31 C ATOM 866 O LYS A 58 21.040 -3.348 -7.325 1.00 10.52 O ATOM 867 CB LYS A 58 19.360 -5.383 -5.173 1.00 3.14 C ATOM 868 CG LYS A 58 20.358 -6.528 -5.180 1.00 41.02 C ATOM 869 CD LYS A 58 20.984 -6.713 -6.552 1.00 71.25 C ATOM 870 CE LYS A 58 21.927 -7.906 -6.578 1.00 44.14 C ATOM 871 NZ LYS A 58 21.840 -8.655 -7.863 1.00 13.43 N ATOM 0 H LYS A 58 18.538 -3.464 -3.867 1.00 21.15 H new ATOM 0 HA LYS A 58 21.051 -4.075 -4.931 1.00 35.13 H new ATOM 0 HB2 LYS A 58 18.762 -5.439 -4.263 1.00 3.14 H new ATOM 0 HB3 LYS A 58 18.675 -5.504 -6.012 1.00 3.14 H new ATOM 0 HG2 LYS A 58 21.140 -6.335 -4.445 1.00 41.02 H new ATOM 0 HG3 LYS A 58 19.859 -7.449 -4.880 1.00 41.02 H new ATOM 0 HD2 LYS A 58 20.199 -6.852 -7.295 1.00 71.25 H new ATOM 0 HD3 LYS A 58 21.529 -5.811 -6.829 1.00 71.25 H new ATOM 0 HE2 LYS A 58 22.950 -7.563 -6.426 1.00 44.14 H new ATOM 0 HE3 LYS A 58 21.689 -8.575 -5.751 1.00 44.14 H new ATOM 0 HZ1 LYS A 58 22.498 -9.460 -7.841 1.00 13.43 H new ATOM 0 HZ2 LYS A 58 20.870 -9.004 -7.996 1.00 13.43 H new ATOM 0 HZ3 LYS A 58 22.092 -8.024 -8.650 1.00 13.43 H new ATOM 885 N GLU A 59 18.794 -3.259 -7.219 1.00 12.43 N ATOM 886 CA GLU A 59 18.639 -2.779 -8.587 1.00 62.21 C ATOM 887 C GLU A 59 19.502 -1.544 -8.832 1.00 33.33 C ATOM 888 O GLU A 59 20.260 -1.485 -9.799 1.00 75.45 O ATOM 889 CB GLU A 59 17.172 -2.455 -8.875 1.00 13.02 C ATOM 890 CG GLU A 59 16.270 -3.678 -8.889 1.00 52.32 C ATOM 891 CD GLU A 59 16.141 -4.291 -10.270 1.00 32.21 C ATOM 892 OE1 GLU A 59 17.183 -4.631 -10.868 1.00 74.53 O ATOM 893 OE2 GLU A 59 14.997 -4.431 -10.752 1.00 21.22 O ATOM 0 H GLU A 59 17.917 -3.384 -6.714 1.00 12.43 H new ATOM 0 HA GLU A 59 18.968 -3.570 -9.261 1.00 62.21 H new ATOM 0 HB2 GLU A 59 16.809 -1.755 -8.123 1.00 13.02 H new ATOM 0 HB3 GLU A 59 17.102 -1.952 -9.839 1.00 13.02 H new ATOM 0 HG2 GLU A 59 16.665 -4.424 -8.200 1.00 52.32 H new ATOM 0 HG3 GLU A 59 15.281 -3.400 -8.525 1.00 52.32 H new ATOM 900 N ALA A 60 19.379 -0.560 -7.947 1.00 44.24 N ATOM 901 CA ALA A 60 20.148 0.673 -8.066 1.00 10.03 C ATOM 902 C ALA A 60 21.635 0.379 -8.233 1.00 51.13 C ATOM 903 O ALA A 60 22.271 0.861 -9.170 1.00 74.03 O ATOM 904 CB ALA A 60 19.917 1.558 -6.850 1.00 33.24 C ATOM 0 H ALA A 60 18.755 -0.593 -7.141 1.00 44.24 H new ATOM 0 HA ALA A 60 19.806 1.201 -8.957 1.00 10.03 H new ATOM 0 HB1 ALA A 60 20.497 2.475 -6.952 1.00 33.24 H new ATOM 0 HB2 ALA A 60 18.858 1.805 -6.776 1.00 33.24 H new ATOM 0 HB3 ALA A 60 20.230 1.029 -5.950 1.00 33.24 H new ATOM 910 N ALA A 61 22.183 -0.414 -7.319 1.00 23.03 N ATOM 911 CA ALA A 61 23.595 -0.773 -7.367 1.00 2.15 C ATOM 912 C ALA A 61 23.964 -1.370 -8.720 1.00 63.31 C ATOM 913 O ALA A 61 24.989 -1.021 -9.305 1.00 24.15 O ATOM 914 CB ALA A 61 23.930 -1.748 -6.248 1.00 20.41 C ATOM 0 H ALA A 61 21.671 -0.820 -6.536 1.00 23.03 H new ATOM 0 HA ALA A 61 24.180 0.136 -7.229 1.00 2.15 H new ATOM 0 HB1 ALA A 61 24.988 -2.007 -6.296 1.00 20.41 H new ATOM 0 HB2 ALA A 61 23.713 -1.285 -5.285 1.00 20.41 H new ATOM 0 HB3 ALA A 61 23.330 -2.651 -6.360 1.00 20.41 H new ATOM 920 N ALA A 62 23.122 -2.273 -9.213 1.00 24.14 N ATOM 921 CA ALA A 62 23.360 -2.918 -10.498 1.00 50.11 C ATOM 922 C ALA A 62 23.457 -1.889 -11.619 1.00 53.40 C ATOM 923 O ALA A 62 24.365 -1.944 -12.449 1.00 31.53 O ATOM 924 CB ALA A 62 22.257 -3.923 -10.796 1.00 25.41 C ATOM 0 H ALA A 62 22.269 -2.574 -8.742 1.00 24.14 H new ATOM 0 HA ALA A 62 24.312 -3.446 -10.441 1.00 50.11 H new ATOM 0 HB1 ALA A 62 22.447 -4.397 -11.759 1.00 25.41 H new ATOM 0 HB2 ALA A 62 22.236 -4.683 -10.015 1.00 25.41 H new ATOM 0 HB3 ALA A 62 21.296 -3.410 -10.828 1.00 25.41 H new ATOM 930 N ILE A 63 22.516 -0.951 -11.638 1.00 15.02 N ATOM 931 CA ILE A 63 22.496 0.091 -12.657 1.00 71.31 C ATOM 932 C ILE A 63 23.776 0.919 -12.621 1.00 54.30 C ATOM 933 O ILE A 63 24.364 1.217 -13.661 1.00 21.34 O ATOM 934 CB ILE A 63 21.286 1.027 -12.482 1.00 1.43 C ATOM 935 CG1 ILE A 63 19.982 0.230 -12.551 1.00 51.21 C ATOM 936 CG2 ILE A 63 21.303 2.119 -13.541 1.00 61.24 C ATOM 937 CD1 ILE A 63 18.964 0.645 -11.511 1.00 64.43 C ATOM 0 H ILE A 63 21.757 -0.891 -10.959 1.00 15.02 H new ATOM 0 HA ILE A 63 22.418 -0.412 -13.621 1.00 71.31 H new ATOM 0 HB ILE A 63 21.350 1.499 -11.501 1.00 1.43 H new ATOM 0 HG12 ILE A 63 19.545 0.348 -13.543 1.00 51.21 H new ATOM 0 HG13 ILE A 63 20.206 -0.829 -12.426 1.00 51.21 H new ATOM 0 HG21 ILE A 63 20.441 2.772 -13.404 1.00 61.24 H new ATOM 0 HG22 ILE A 63 22.219 2.702 -13.448 1.00 61.24 H new ATOM 0 HG23 ILE A 63 21.261 1.666 -14.531 1.00 61.24 H new ATOM 0 HD11 ILE A 63 18.065 0.038 -11.619 1.00 64.43 H new ATOM 0 HD12 ILE A 63 19.382 0.500 -10.515 1.00 64.43 H new ATOM 0 HD13 ILE A 63 18.711 1.696 -11.649 1.00 64.43 H new ATOM 949 N ARG A 64 24.202 1.288 -11.417 1.00 73.33 N ATOM 950 CA ARG A 64 25.412 2.082 -11.245 1.00 64.53 C ATOM 951 C ARG A 64 26.625 1.356 -11.822 1.00 54.34 C ATOM 952 O ARG A 64 27.423 1.944 -12.552 1.00 50.41 O ATOM 953 CB ARG A 64 25.643 2.384 -9.764 1.00 24.24 C ATOM 954 CG ARG A 64 26.979 3.051 -9.479 1.00 41.11 C ATOM 955 CD ARG A 64 27.069 4.420 -10.136 1.00 22.32 C ATOM 956 NE ARG A 64 27.637 5.421 -9.238 1.00 3.44 N ATOM 957 CZ ARG A 64 27.565 6.730 -9.456 1.00 65.42 C ATOM 958 NH1 ARG A 64 26.953 7.192 -10.537 1.00 74.23 N ATOM 959 NH2 ARG A 64 28.107 7.579 -8.592 1.00 60.32 N ATOM 0 H ARG A 64 23.727 1.050 -10.547 1.00 73.33 H new ATOM 0 HA ARG A 64 25.281 3.020 -11.784 1.00 64.53 H new ATOM 0 HB2 ARG A 64 24.841 3.028 -9.404 1.00 24.24 H new ATOM 0 HB3 ARG A 64 25.583 1.454 -9.199 1.00 24.24 H new ATOM 0 HG2 ARG A 64 27.114 3.153 -8.402 1.00 41.11 H new ATOM 0 HG3 ARG A 64 27.788 2.418 -9.843 1.00 41.11 H new ATOM 0 HD2 ARG A 64 27.681 4.351 -11.035 1.00 22.32 H new ATOM 0 HD3 ARG A 64 26.075 4.737 -10.450 1.00 22.32 H new ATOM 0 HE ARG A 64 28.115 5.098 -8.397 1.00 3.44 H new ATOM 0 HH11 ARG A 64 26.536 6.542 -11.204 1.00 74.23 H new ATOM 0 HH12 ARG A 64 26.899 8.197 -10.702 1.00 74.23 H new ATOM 0 HH21 ARG A 64 28.580 7.227 -7.759 1.00 60.32 H new ATOM 0 HH22 ARG A 64 28.051 8.583 -8.761 1.00 60.32 H new ATOM 973 N ASP A 65 26.755 0.077 -11.490 1.00 64.21 N ATOM 974 CA ASP A 65 27.870 -0.729 -11.975 1.00 74.24 C ATOM 975 C ASP A 65 27.889 -0.768 -13.500 1.00 54.23 C ATOM 976 O ASP A 65 28.942 -0.628 -14.121 1.00 21.34 O ATOM 977 CB ASP A 65 27.780 -2.151 -11.418 1.00 14.40 C ATOM 978 CG ASP A 65 27.996 -2.199 -9.918 1.00 65.13 C ATOM 979 OD1 ASP A 65 28.704 -1.314 -9.392 1.00 32.42 O ATOM 980 OD2 ASP A 65 27.458 -3.121 -9.271 1.00 23.20 O ATOM 0 H ASP A 65 26.103 -0.425 -10.887 1.00 64.21 H new ATOM 0 HA ASP A 65 28.796 -0.269 -11.629 1.00 74.24 H new ATOM 0 HB2 ASP A 65 26.802 -2.570 -11.655 1.00 14.40 H new ATOM 0 HB3 ASP A 65 28.523 -2.779 -11.910 1.00 14.40 H new ATOM 985 N GLU A 66 26.716 -0.959 -14.097 1.00 62.21 N ATOM 986 CA GLU A 66 26.600 -1.018 -15.549 1.00 73.25 C ATOM 987 C GLU A 66 27.070 0.287 -16.186 1.00 74.44 C ATOM 988 O GLU A 66 27.858 0.279 -17.132 1.00 44.12 O ATOM 989 CB GLU A 66 25.153 -1.305 -15.956 1.00 52.11 C ATOM 990 CG GLU A 66 24.561 -2.530 -15.279 1.00 5.33 C ATOM 991 CD GLU A 66 24.316 -3.670 -16.247 1.00 71.42 C ATOM 992 OE1 GLU A 66 25.266 -4.062 -16.957 1.00 33.13 O ATOM 993 OE2 GLU A 66 23.173 -4.171 -16.295 1.00 32.51 O ATOM 0 H GLU A 66 25.834 -1.075 -13.598 1.00 62.21 H new ATOM 0 HA GLU A 66 27.238 -1.827 -15.906 1.00 73.25 H new ATOM 0 HB2 GLU A 66 24.539 -0.437 -15.718 1.00 52.11 H new ATOM 0 HB3 GLU A 66 25.109 -1.441 -17.037 1.00 52.11 H new ATOM 0 HG2 GLU A 66 25.235 -2.866 -14.491 1.00 5.33 H new ATOM 0 HG3 GLU A 66 23.621 -2.257 -14.800 1.00 5.33 H new ATOM 1000 N CYS A 67 26.579 1.404 -15.662 1.00 2.02 N ATOM 1001 CA CYS A 67 26.947 2.717 -16.179 1.00 41.23 C ATOM 1002 C CYS A 67 28.458 2.919 -16.127 1.00 30.45 C ATOM 1003 O CYS A 67 29.053 3.466 -17.054 1.00 51.32 O ATOM 1004 CB CYS A 67 26.246 3.818 -15.382 1.00 35.53 C ATOM 1005 SG CYS A 67 24.453 3.869 -15.613 1.00 60.52 S ATOM 0 H CYS A 67 25.925 1.427 -14.880 1.00 2.02 H new ATOM 0 HA CYS A 67 26.627 2.772 -17.219 1.00 41.23 H new ATOM 0 HB2 CYS A 67 26.461 3.678 -14.323 1.00 35.53 H new ATOM 0 HB3 CYS A 67 26.666 4.782 -15.668 1.00 35.53 H new ATOM 0 HG CYS A 67 23.901 2.906 -14.936 1.00 60.52 H new ATOM 1011 N GLN A 68 29.071 2.474 -15.035 1.00 23.44 N ATOM 1012 CA GLN A 68 30.513 2.608 -14.860 1.00 73.44 C ATOM 1013 C GLN A 68 31.265 1.694 -15.823 1.00 14.21 C ATOM 1014 O GLN A 68 32.370 2.013 -16.261 1.00 35.10 O ATOM 1015 CB GLN A 68 30.906 2.283 -13.418 1.00 72.32 C ATOM 1016 CG GLN A 68 30.361 3.273 -12.401 1.00 60.24 C ATOM 1017 CD GLN A 68 30.150 2.650 -11.035 1.00 63.04 C ATOM 1018 OE1 GLN A 68 30.148 1.427 -10.892 1.00 10.04 O ATOM 1019 NE2 GLN A 68 29.972 3.490 -10.023 1.00 10.14 N ATOM 0 H GLN A 68 28.592 2.018 -14.258 1.00 23.44 H new ATOM 0 HA GLN A 68 30.786 3.640 -15.079 1.00 73.44 H new ATOM 0 HB2 GLN A 68 30.547 1.284 -13.169 1.00 72.32 H new ATOM 0 HB3 GLN A 68 31.993 2.259 -13.343 1.00 72.32 H new ATOM 0 HG2 GLN A 68 31.051 4.112 -12.311 1.00 60.24 H new ATOM 0 HG3 GLN A 68 29.415 3.676 -12.763 1.00 60.24 H new ATOM 0 HE21 GLN A 68 29.981 4.497 -10.188 1.00 10.14 H new ATOM 0 HE22 GLN A 68 29.826 3.129 -9.080 1.00 10.14 H new ATOM 1028 N ALA A 69 30.658 0.557 -16.148 1.00 10.15 N ATOM 1029 CA ALA A 69 31.269 -0.402 -17.059 1.00 45.44 C ATOM 1030 C ALA A 69 31.064 0.014 -18.512 1.00 2.40 C ATOM 1031 O ALA A 69 31.605 -0.606 -19.428 1.00 12.11 O ATOM 1032 CB ALA A 69 30.701 -1.793 -16.821 1.00 41.24 C ATOM 0 H ALA A 69 29.743 0.278 -15.793 1.00 10.15 H new ATOM 0 HA ALA A 69 32.341 -0.421 -16.861 1.00 45.44 H new ATOM 0 HB1 ALA A 69 31.167 -2.499 -17.509 1.00 41.24 H new ATOM 0 HB2 ALA A 69 30.905 -2.098 -15.795 1.00 41.24 H new ATOM 0 HB3 ALA A 69 29.624 -1.780 -16.989 1.00 41.24 H new ATOM 1038 N TYR A 70 30.280 1.067 -18.716 1.00 31.13 N ATOM 1039 CA TYR A 70 30.001 1.564 -20.058 1.00 32.32 C ATOM 1040 C TYR A 70 30.812 2.822 -20.353 1.00 32.14 C ATOM 1041 O TYR A 70 31.268 3.030 -21.477 1.00 2.52 O ATOM 1042 CB TYR A 70 28.508 1.857 -20.216 1.00 11.25 C ATOM 1043 CG TYR A 70 27.630 0.638 -20.044 1.00 12.31 C ATOM 1044 CD1 TYR A 70 28.075 -0.622 -20.423 1.00 20.15 C ATOM 1045 CD2 TYR A 70 26.355 0.747 -19.502 1.00 51.31 C ATOM 1046 CE1 TYR A 70 27.276 -1.738 -20.268 1.00 73.13 C ATOM 1047 CE2 TYR A 70 25.549 -0.364 -19.343 1.00 2.43 C ATOM 1048 CZ TYR A 70 26.014 -1.604 -19.728 1.00 12.13 C ATOM 1049 OH TYR A 70 25.215 -2.713 -19.571 1.00 61.41 O ATOM 0 H TYR A 70 29.826 1.593 -17.969 1.00 31.13 H new ATOM 0 HA TYR A 70 30.290 0.792 -20.771 1.00 32.32 H new ATOM 0 HB2 TYR A 70 28.215 2.611 -19.486 1.00 11.25 H new ATOM 0 HB3 TYR A 70 28.333 2.284 -21.203 1.00 11.25 H new ATOM 0 HD1 TYR A 70 29.063 -0.731 -20.846 1.00 20.15 H new ATOM 0 HD2 TYR A 70 25.988 1.717 -19.200 1.00 51.31 H new ATOM 0 HE1 TYR A 70 27.638 -2.710 -20.568 1.00 73.13 H new ATOM 0 HE2 TYR A 70 24.561 -0.262 -18.920 1.00 2.43 H new ATOM 0 HH TYR A 70 25.335 -3.077 -18.669 1.00 61.41 H new ATOM 1059 N ARG A 71 30.987 3.657 -19.334 1.00 2.12 N ATOM 1060 CA ARG A 71 31.742 4.895 -19.482 1.00 43.32 C ATOM 1061 C ARG A 71 32.718 5.079 -18.324 1.00 3.12 C ATOM 1062 O ARG A 71 32.870 6.181 -17.794 1.00 75.43 O ATOM 1063 CB ARG A 71 30.792 6.092 -19.557 1.00 33.51 C ATOM 1064 CG ARG A 71 31.374 7.287 -20.293 1.00 11.21 C ATOM 1065 CD ARG A 71 30.281 8.159 -20.891 1.00 41.04 C ATOM 1066 NE ARG A 71 30.675 8.723 -22.180 1.00 1.35 N ATOM 1067 CZ ARG A 71 31.615 9.651 -22.319 1.00 2.54 C ATOM 1068 NH1 ARG A 71 32.254 10.117 -21.254 1.00 65.04 N ATOM 1069 NH2 ARG A 71 31.918 10.116 -23.524 1.00 72.43 N ATOM 0 H ARG A 71 30.616 3.499 -18.397 1.00 2.12 H new ATOM 0 HA ARG A 71 32.312 4.834 -20.409 1.00 43.32 H new ATOM 0 HB2 ARG A 71 29.872 5.784 -20.053 1.00 33.51 H new ATOM 0 HB3 ARG A 71 30.523 6.395 -18.545 1.00 33.51 H new ATOM 0 HG2 ARG A 71 31.979 7.879 -19.606 1.00 11.21 H new ATOM 0 HG3 ARG A 71 32.038 6.940 -21.085 1.00 11.21 H new ATOM 0 HD2 ARG A 71 29.374 7.568 -21.016 1.00 41.04 H new ATOM 0 HD3 ARG A 71 30.043 8.967 -20.199 1.00 41.04 H new ATOM 0 HE ARG A 71 30.202 8.386 -23.019 1.00 1.35 H new ATOM 0 HH11 ARG A 71 32.024 9.763 -20.326 1.00 65.04 H new ATOM 0 HH12 ARG A 71 32.975 10.830 -21.363 1.00 65.04 H new ATOM 0 HH21 ARG A 71 31.429 9.761 -24.346 1.00 72.43 H new ATOM 0 HH22 ARG A 71 32.640 10.829 -23.629 1.00 72.43 H new