USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=7 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 -108:sc= 1.42 USER MOD Set 1.2: A 67 CYS SG : rot 19:sc= 0.899 USER MOD Single : A 3 SER OG : rot 25:sc= 0.0905 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.043 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= -0.0145 X(o=-0.014,f=-0.18) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.9 K(o=-1.9,f=-5.6!) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0135 USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 5.842 4.844 -2.160 1.00 51.24 N ATOM 26 CA SER A 3 6.629 5.414 -3.248 1.00 33.21 C ATOM 27 C SER A 3 7.405 4.326 -3.984 1.00 5.31 C ATOM 28 O SER A 3 8.462 4.585 -4.561 1.00 15.40 O ATOM 29 CB SER A 3 7.595 6.470 -2.708 1.00 20.22 C ATOM 30 OG SER A 3 6.900 7.485 -2.004 1.00 21.51 O ATOM 0 HA SER A 3 5.943 5.886 -3.952 1.00 33.21 H new ATOM 0 HB2 SER A 3 8.322 5.998 -2.048 1.00 20.22 H new ATOM 0 HB3 SER A 3 8.153 6.912 -3.533 1.00 20.22 H new ATOM 0 HG SER A 3 6.050 7.129 -1.671 1.00 21.51 H new ATOM 36 N TRP A 4 6.875 3.109 -3.959 1.00 14.34 N ATOM 37 CA TRP A 4 7.517 1.981 -4.623 1.00 44.21 C ATOM 38 C TRP A 4 7.249 2.009 -6.124 1.00 21.43 C ATOM 39 O TRP A 4 8.176 1.937 -6.930 1.00 53.24 O ATOM 40 CB TRP A 4 7.022 0.662 -4.028 1.00 12.32 C ATOM 41 CG TRP A 4 7.455 -0.542 -4.809 1.00 12.45 C ATOM 42 CD1 TRP A 4 6.903 -1.009 -5.967 1.00 31.21 C ATOM 43 CD2 TRP A 4 8.529 -1.431 -4.486 1.00 22.21 C ATOM 44 NE1 TRP A 4 7.569 -2.136 -6.384 1.00 25.22 N ATOM 45 CE2 TRP A 4 8.572 -2.415 -5.493 1.00 31.20 C ATOM 46 CE3 TRP A 4 9.460 -1.491 -3.446 1.00 25.32 C ATOM 47 CZ2 TRP A 4 9.508 -3.446 -5.487 1.00 43.43 C ATOM 48 CZ3 TRP A 4 10.389 -2.515 -3.441 1.00 40.34 C ATOM 49 CH2 TRP A 4 10.408 -3.480 -4.457 1.00 21.12 C ATOM 0 H TRP A 4 6.002 2.878 -3.486 1.00 14.34 H new ATOM 0 HA TRP A 4 8.592 2.062 -4.463 1.00 44.21 H new ATOM 0 HB2 TRP A 4 7.388 0.573 -3.005 1.00 12.32 H new ATOM 0 HB3 TRP A 4 5.933 0.681 -3.977 1.00 12.32 H new ATOM 0 HD1 TRP A 4 6.066 -0.559 -6.480 1.00 31.21 H new ATOM 0 HE1 TRP A 4 7.352 -2.677 -7.221 1.00 25.22 H new ATOM 0 HE3 TRP A 4 9.454 -0.751 -2.660 1.00 25.32 H new ATOM 0 HZ2 TRP A 4 9.523 -4.192 -6.268 1.00 43.43 H new ATOM 0 HZ3 TRP A 4 11.112 -2.572 -2.641 1.00 40.34 H new ATOM 0 HH2 TRP A 4 11.148 -4.266 -4.426 1.00 21.12 H new ATOM 60 N ALA A 5 5.976 2.112 -6.491 1.00 42.52 N ATOM 61 CA ALA A 5 5.587 2.152 -7.895 1.00 62.54 C ATOM 62 C ALA A 5 6.381 3.208 -8.656 1.00 3.11 C ATOM 63 O ALA A 5 6.908 2.943 -9.736 1.00 11.11 O ATOM 64 CB ALA A 5 4.094 2.418 -8.022 1.00 65.53 C ATOM 0 H ALA A 5 5.197 2.169 -5.835 1.00 42.52 H new ATOM 0 HA ALA A 5 5.811 1.180 -8.335 1.00 62.54 H new ATOM 0 HB1 ALA A 5 3.818 2.445 -9.076 1.00 65.53 H new ATOM 0 HB2 ALA A 5 3.539 1.624 -7.522 1.00 65.53 H new ATOM 0 HB3 ALA A 5 3.854 3.375 -7.559 1.00 65.53 H new ATOM 70 N GLU A 6 6.462 4.406 -8.085 1.00 21.11 N ATOM 71 CA GLU A 6 7.191 5.502 -8.711 1.00 42.43 C ATOM 72 C GLU A 6 8.665 5.146 -8.887 1.00 35.01 C ATOM 73 O GLU A 6 9.229 5.307 -9.969 1.00 60.12 O ATOM 74 CB GLU A 6 7.060 6.776 -7.874 1.00 14.13 C ATOM 75 CG GLU A 6 5.620 7.188 -7.614 1.00 22.43 C ATOM 76 CD GLU A 6 5.285 8.544 -8.204 1.00 64.53 C ATOM 77 OE1 GLU A 6 5.297 8.668 -9.447 1.00 24.10 O ATOM 78 OE2 GLU A 6 5.012 9.480 -7.425 1.00 32.33 O ATOM 0 H GLU A 6 6.032 4.642 -7.191 1.00 21.11 H new ATOM 0 HA GLU A 6 6.757 5.676 -9.696 1.00 42.43 H new ATOM 0 HB2 GLU A 6 7.564 6.627 -6.919 1.00 14.13 H new ATOM 0 HB3 GLU A 6 7.576 7.590 -8.383 1.00 14.13 H new ATOM 0 HG2 GLU A 6 4.950 6.438 -8.034 1.00 22.43 H new ATOM 0 HG3 GLU A 6 5.441 7.209 -6.539 1.00 22.43 H new ATOM 85 N PHE A 7 9.282 4.661 -7.814 1.00 52.54 N ATOM 86 CA PHE A 7 10.690 4.283 -7.848 1.00 52.43 C ATOM 87 C PHE A 7 10.929 3.165 -8.859 1.00 15.23 C ATOM 88 O PHE A 7 11.947 3.144 -9.550 1.00 50.12 O ATOM 89 CB PHE A 7 11.154 3.839 -6.460 1.00 0.13 C ATOM 90 CG PHE A 7 11.936 4.890 -5.724 1.00 71.24 C ATOM 91 CD1 PHE A 7 11.379 6.132 -5.465 1.00 30.43 C ATOM 92 CD2 PHE A 7 13.228 4.635 -5.292 1.00 54.44 C ATOM 93 CE1 PHE A 7 12.097 7.100 -4.789 1.00 13.30 C ATOM 94 CE2 PHE A 7 13.950 5.600 -4.616 1.00 1.22 C ATOM 95 CZ PHE A 7 13.383 6.834 -4.363 1.00 23.01 C ATOM 0 H PHE A 7 8.829 4.521 -6.911 1.00 52.54 H new ATOM 0 HA PHE A 7 11.267 5.155 -8.155 1.00 52.43 H new ATOM 0 HB2 PHE A 7 10.283 3.563 -5.866 1.00 0.13 H new ATOM 0 HB3 PHE A 7 11.768 2.944 -6.560 1.00 0.13 H new ATOM 0 HD1 PHE A 7 10.373 6.346 -5.795 1.00 30.43 H new ATOM 0 HD2 PHE A 7 13.675 3.671 -5.486 1.00 54.44 H new ATOM 0 HE1 PHE A 7 11.652 8.065 -4.594 1.00 13.30 H new ATOM 0 HE2 PHE A 7 14.957 5.390 -4.286 1.00 1.22 H new ATOM 0 HZ PHE A 7 13.945 7.589 -3.833 1.00 23.01 H new ATOM 105 N LYS A 8 9.982 2.236 -8.938 1.00 62.11 N ATOM 106 CA LYS A 8 10.087 1.114 -9.863 1.00 72.23 C ATOM 107 C LYS A 8 10.002 1.591 -11.310 1.00 5.45 C ATOM 108 O LYS A 8 10.725 1.102 -12.177 1.00 23.32 O ATOM 109 CB LYS A 8 8.980 0.093 -9.587 1.00 4.32 C ATOM 110 CG LYS A 8 9.452 -1.117 -8.800 1.00 2.15 C ATOM 111 CD LYS A 8 8.780 -2.392 -9.281 1.00 11.23 C ATOM 112 CE LYS A 8 9.288 -2.806 -10.653 1.00 24.41 C ATOM 113 NZ LYS A 8 8.683 -4.090 -11.104 1.00 62.02 N ATOM 0 H LYS A 8 9.133 2.238 -8.372 1.00 62.11 H new ATOM 0 HA LYS A 8 11.057 0.641 -9.711 1.00 72.23 H new ATOM 0 HB2 LYS A 8 8.175 0.582 -9.038 1.00 4.32 H new ATOM 0 HB3 LYS A 8 8.561 -0.242 -10.536 1.00 4.32 H new ATOM 0 HG2 LYS A 8 10.533 -1.216 -8.897 1.00 2.15 H new ATOM 0 HG3 LYS A 8 9.239 -0.969 -7.741 1.00 2.15 H new ATOM 0 HD2 LYS A 8 8.965 -3.194 -8.566 1.00 11.23 H new ATOM 0 HD3 LYS A 8 7.701 -2.243 -9.321 1.00 11.23 H new ATOM 0 HE2 LYS A 8 9.060 -2.023 -11.376 1.00 24.41 H new ATOM 0 HE3 LYS A 8 10.373 -2.906 -10.624 1.00 24.41 H new ATOM 0 HZ1 LYS A 8 9.055 -4.338 -12.043 1.00 62.02 H new ATOM 0 HZ2 LYS A 8 8.922 -4.843 -10.427 1.00 62.02 H new ATOM 0 HZ3 LYS A 8 7.649 -3.987 -11.157 1.00 62.02 H new ATOM 127 N GLN A 9 9.117 2.550 -11.561 1.00 10.23 N ATOM 128 CA GLN A 9 8.940 3.094 -12.902 1.00 60.31 C ATOM 129 C GLN A 9 10.202 3.812 -13.369 1.00 73.02 C ATOM 130 O GLN A 9 10.786 3.458 -14.393 1.00 50.14 O ATOM 131 CB GLN A 9 7.751 4.055 -12.933 1.00 75.10 C ATOM 132 CG GLN A 9 6.679 3.665 -13.939 1.00 4.21 C ATOM 133 CD GLN A 9 5.413 4.485 -13.790 1.00 42.42 C ATOM 134 OE1 GLN A 9 5.421 5.702 -13.983 1.00 23.43 O ATOM 135 NE2 GLN A 9 4.315 3.823 -13.446 1.00 62.41 N ATOM 0 H GLN A 9 8.512 2.966 -10.854 1.00 10.23 H new ATOM 0 HA GLN A 9 8.744 2.264 -13.580 1.00 60.31 H new ATOM 0 HB2 GLN A 9 7.305 4.101 -11.939 1.00 75.10 H new ATOM 0 HB3 GLN A 9 8.110 5.057 -13.168 1.00 75.10 H new ATOM 0 HG2 GLN A 9 7.071 3.789 -14.948 1.00 4.21 H new ATOM 0 HG3 GLN A 9 6.439 2.609 -13.818 1.00 4.21 H new ATOM 0 HE21 GLN A 9 4.353 2.815 -13.296 1.00 62.41 H new ATOM 0 HE22 GLN A 9 3.433 4.323 -13.332 1.00 62.41 H new ATOM 144 N ARG A 10 10.616 4.822 -12.612 1.00 1.51 N ATOM 145 CA ARG A 10 11.808 5.592 -12.950 1.00 33.45 C ATOM 146 C ARG A 10 13.024 4.680 -13.081 1.00 22.15 C ATOM 147 O ARG A 10 13.818 4.815 -14.013 1.00 14.50 O ATOM 148 CB ARG A 10 12.070 6.660 -11.886 1.00 35.40 C ATOM 149 CG ARG A 10 10.926 7.647 -11.720 1.00 43.55 C ATOM 150 CD ARG A 10 10.574 7.851 -10.255 1.00 74.13 C ATOM 151 NE ARG A 10 11.110 9.105 -9.732 1.00 73.42 N ATOM 152 CZ ARG A 10 10.678 10.303 -10.110 1.00 31.23 C ATOM 153 NH1 ARG A 10 9.708 10.409 -11.008 1.00 4.12 N ATOM 154 NH2 ARG A 10 11.216 11.398 -9.588 1.00 32.11 N ATOM 0 H ARG A 10 10.144 5.127 -11.761 1.00 1.51 H new ATOM 0 HA ARG A 10 11.636 6.080 -13.909 1.00 33.45 H new ATOM 0 HB2 ARG A 10 12.258 6.170 -10.930 1.00 35.40 H new ATOM 0 HB3 ARG A 10 12.976 7.207 -12.148 1.00 35.40 H new ATOM 0 HG2 ARG A 10 11.201 8.603 -12.166 1.00 43.55 H new ATOM 0 HG3 ARG A 10 10.050 7.285 -12.259 1.00 43.55 H new ATOM 0 HD2 ARG A 10 9.490 7.844 -10.138 1.00 74.13 H new ATOM 0 HD3 ARG A 10 10.963 7.018 -9.669 1.00 74.13 H new ATOM 0 HE ARG A 10 11.857 9.058 -9.039 1.00 73.42 H new ATOM 0 HH11 ARG A 10 9.292 9.569 -11.410 1.00 4.12 H new ATOM 0 HH12 ARG A 10 9.378 11.330 -11.296 1.00 4.12 H new ATOM 0 HH21 ARG A 10 11.962 11.320 -8.896 1.00 32.11 H new ATOM 0 HH22 ARG A 10 10.884 12.318 -9.879 1.00 32.11 H new ATOM 168 N LEU A 11 13.165 3.752 -12.141 1.00 23.24 N ATOM 169 CA LEU A 11 14.286 2.817 -12.150 1.00 55.41 C ATOM 170 C LEU A 11 14.231 1.914 -13.378 1.00 40.53 C ATOM 171 O LEU A 11 15.263 1.569 -13.953 1.00 52.44 O ATOM 172 CB LEU A 11 14.278 1.968 -10.878 1.00 15.11 C ATOM 173 CG LEU A 11 14.799 2.650 -9.612 1.00 54.03 C ATOM 174 CD1 LEU A 11 14.423 1.844 -8.378 1.00 52.35 C ATOM 175 CD2 LEU A 11 16.307 2.838 -9.690 1.00 73.20 C ATOM 0 H LEU A 11 12.518 3.626 -11.363 1.00 23.24 H new ATOM 0 HA LEU A 11 15.209 3.395 -12.187 1.00 55.41 H new ATOM 0 HB2 LEU A 11 13.256 1.636 -10.693 1.00 15.11 H new ATOM 0 HB3 LEU A 11 14.876 1.075 -11.058 1.00 15.11 H new ATOM 0 HG LEU A 11 14.334 3.633 -9.534 1.00 54.03 H new ATOM 0 HD11 LEU A 11 14.802 2.345 -7.487 1.00 52.35 H new ATOM 0 HD12 LEU A 11 13.338 1.762 -8.314 1.00 52.35 H new ATOM 0 HD13 LEU A 11 14.859 0.847 -8.448 1.00 52.35 H new ATOM 0 HD21 LEU A 11 16.660 3.325 -8.781 1.00 73.20 H new ATOM 0 HD22 LEU A 11 16.790 1.866 -9.793 1.00 73.20 H new ATOM 0 HD23 LEU A 11 16.552 3.458 -10.552 1.00 73.20 H new ATOM 187 N ALA A 12 13.020 1.537 -13.776 1.00 3.23 N ATOM 188 CA ALA A 12 12.831 0.678 -14.938 1.00 51.20 C ATOM 189 C ALA A 12 13.274 1.380 -16.217 1.00 41.02 C ATOM 190 O ALA A 12 13.961 0.793 -17.053 1.00 32.34 O ATOM 191 CB ALA A 12 11.375 0.250 -15.046 1.00 60.30 C ATOM 0 H ALA A 12 12.155 1.813 -13.311 1.00 3.23 H new ATOM 0 HA ALA A 12 13.451 -0.209 -14.808 1.00 51.20 H new ATOM 0 HB1 ALA A 12 11.248 -0.391 -15.918 1.00 60.30 H new ATOM 0 HB2 ALA A 12 11.089 -0.298 -14.148 1.00 60.30 H new ATOM 0 HB3 ALA A 12 10.743 1.132 -15.149 1.00 60.30 H new ATOM 197 N ALA A 13 12.876 2.639 -16.364 1.00 41.50 N ATOM 198 CA ALA A 13 13.234 3.421 -17.541 1.00 53.31 C ATOM 199 C ALA A 13 14.738 3.663 -17.604 1.00 21.43 C ATOM 200 O ALA A 13 15.346 3.574 -18.671 1.00 24.13 O ATOM 201 CB ALA A 13 12.484 4.746 -17.543 1.00 24.43 C ATOM 0 H ALA A 13 12.305 3.140 -15.683 1.00 41.50 H new ATOM 0 HA ALA A 13 12.947 2.852 -18.425 1.00 53.31 H new ATOM 0 HB1 ALA A 13 12.761 5.320 -18.428 1.00 24.43 H new ATOM 0 HB2 ALA A 13 11.411 4.557 -17.555 1.00 24.43 H new ATOM 0 HB3 ALA A 13 12.743 5.312 -16.648 1.00 24.43 H new ATOM 207 N ILE A 14 15.332 3.968 -16.455 1.00 51.20 N ATOM 208 CA ILE A 14 16.765 4.222 -16.380 1.00 63.34 C ATOM 209 C ILE A 14 17.564 2.961 -16.695 1.00 54.21 C ATOM 210 O ILE A 14 18.586 3.015 -17.379 1.00 22.22 O ATOM 211 CB ILE A 14 17.174 4.740 -14.989 1.00 14.31 C ATOM 212 CG1 ILE A 14 16.475 6.069 -14.690 1.00 60.54 C ATOM 213 CG2 ILE A 14 18.684 4.900 -14.905 1.00 63.33 C ATOM 214 CD1 ILE A 14 16.287 6.334 -13.213 1.00 72.41 C ATOM 0 H ILE A 14 14.843 4.045 -15.563 1.00 51.20 H new ATOM 0 HA ILE A 14 16.988 4.987 -17.123 1.00 63.34 H new ATOM 0 HB ILE A 14 16.864 4.010 -14.241 1.00 14.31 H new ATOM 0 HG12 ILE A 14 17.056 6.882 -15.126 1.00 60.54 H new ATOM 0 HG13 ILE A 14 15.501 6.076 -15.179 1.00 60.54 H new ATOM 0 HG21 ILE A 14 18.957 5.267 -13.915 1.00 63.33 H new ATOM 0 HG22 ILE A 14 19.162 3.936 -15.079 1.00 63.33 H new ATOM 0 HG23 ILE A 14 19.017 5.612 -15.660 1.00 63.33 H new ATOM 0 HD11 ILE A 14 15.786 7.292 -13.076 1.00 72.41 H new ATOM 0 HD12 ILE A 14 15.680 5.541 -12.775 1.00 72.41 H new ATOM 0 HD13 ILE A 14 17.259 6.360 -12.721 1.00 72.41 H new ATOM 226 N LYS A 15 17.089 1.826 -16.193 1.00 51.22 N ATOM 227 CA LYS A 15 17.755 0.550 -16.423 1.00 24.25 C ATOM 228 C LYS A 15 17.660 0.142 -17.889 1.00 44.23 C ATOM 229 O LYS A 15 18.631 -0.340 -18.475 1.00 53.31 O ATOM 230 CB LYS A 15 17.138 -0.537 -15.539 1.00 45.02 C ATOM 231 CG LYS A 15 18.104 -1.655 -15.187 1.00 70.41 C ATOM 232 CD LYS A 15 17.925 -2.115 -13.750 1.00 74.31 C ATOM 233 CE LYS A 15 17.578 -3.594 -13.677 1.00 72.54 C ATOM 234 NZ LYS A 15 16.135 -3.840 -13.954 1.00 64.32 N ATOM 0 H LYS A 15 16.245 1.764 -15.624 1.00 51.22 H new ATOM 0 HA LYS A 15 18.808 0.667 -16.165 1.00 24.25 H new ATOM 0 HB2 LYS A 15 16.772 -0.081 -14.619 1.00 45.02 H new ATOM 0 HB3 LYS A 15 16.274 -0.962 -16.050 1.00 45.02 H new ATOM 0 HG2 LYS A 15 17.949 -2.497 -15.862 1.00 70.41 H new ATOM 0 HG3 LYS A 15 19.128 -1.312 -15.335 1.00 70.41 H new ATOM 0 HD2 LYS A 15 18.841 -1.927 -13.190 1.00 74.31 H new ATOM 0 HD3 LYS A 15 17.136 -1.531 -13.276 1.00 74.31 H new ATOM 0 HE2 LYS A 15 18.185 -4.145 -14.395 1.00 72.54 H new ATOM 0 HE3 LYS A 15 17.828 -3.977 -12.688 1.00 72.54 H new ATOM 0 HZ1 LYS A 15 15.939 -4.860 -13.895 1.00 64.32 H new ATOM 0 HZ2 LYS A 15 15.556 -3.335 -13.253 1.00 64.32 H new ATOM 0 HZ3 LYS A 15 15.901 -3.498 -14.908 1.00 64.32 H new ATOM 248 N THR A 16 16.485 0.340 -18.479 1.00 64.30 N ATOM 249 CA THR A 16 16.264 -0.007 -19.877 1.00 40.12 C ATOM 250 C THR A 16 17.171 0.805 -20.795 1.00 54.01 C ATOM 251 O THR A 16 17.882 0.248 -21.631 1.00 44.21 O ATOM 252 CB THR A 16 14.797 0.224 -20.288 1.00 25.32 C ATOM 253 OG1 THR A 16 13.929 -0.568 -19.469 1.00 2.51 O ATOM 254 CG2 THR A 16 14.583 -0.130 -21.752 1.00 4.42 C ATOM 0 H THR A 16 15.672 0.739 -18.010 1.00 64.30 H new ATOM 0 HA THR A 16 16.500 -1.066 -19.981 1.00 40.12 H new ATOM 0 HB THR A 16 14.565 1.280 -20.148 1.00 25.32 H new ATOM 0 HG1 THR A 16 13.869 -0.170 -18.575 1.00 2.51 H new ATOM 0 HG21 THR A 16 13.540 0.041 -22.019 1.00 4.42 H new ATOM 0 HG22 THR A 16 15.224 0.494 -22.375 1.00 4.42 H new ATOM 0 HG23 THR A 16 14.831 -1.179 -21.913 1.00 4.42 H new ATOM 262 N ARG A 17 17.140 2.124 -20.633 1.00 63.24 N ATOM 263 CA ARG A 17 17.960 3.013 -21.449 1.00 35.54 C ATOM 264 C ARG A 17 19.444 2.783 -21.179 1.00 52.22 C ATOM 265 O ARG A 17 20.278 2.935 -22.073 1.00 12.33 O ATOM 266 CB ARG A 17 17.599 4.473 -21.169 1.00 61.30 C ATOM 267 CG ARG A 17 16.202 4.854 -21.630 1.00 12.14 C ATOM 268 CD ARG A 17 15.701 6.100 -20.916 1.00 51.35 C ATOM 269 NE ARG A 17 15.853 7.299 -21.737 1.00 72.21 N ATOM 270 CZ ARG A 17 15.023 7.626 -22.721 1.00 74.43 C ATOM 271 NH1 ARG A 17 13.987 6.848 -23.005 1.00 62.24 N ATOM 272 NH2 ARG A 17 15.227 8.733 -23.423 1.00 62.13 N ATOM 0 H ARG A 17 16.557 2.601 -19.945 1.00 63.24 H new ATOM 0 HA ARG A 17 17.761 2.791 -22.497 1.00 35.54 H new ATOM 0 HB2 ARG A 17 17.683 4.660 -20.098 1.00 61.30 H new ATOM 0 HB3 ARG A 17 18.324 5.119 -21.663 1.00 61.30 H new ATOM 0 HG2 ARG A 17 16.207 5.027 -22.706 1.00 12.14 H new ATOM 0 HG3 ARG A 17 15.518 4.026 -21.444 1.00 12.14 H new ATOM 0 HD2 ARG A 17 14.651 5.970 -20.654 1.00 51.35 H new ATOM 0 HD3 ARG A 17 16.249 6.228 -19.982 1.00 51.35 H new ATOM 0 HE ARG A 17 16.640 7.919 -21.544 1.00 72.21 H new ATOM 0 HH11 ARG A 17 13.826 5.996 -22.467 1.00 62.24 H new ATOM 0 HH12 ARG A 17 13.351 7.101 -23.761 1.00 62.24 H new ATOM 0 HH21 ARG A 17 16.022 9.334 -23.207 1.00 62.13 H new ATOM 0 HH22 ARG A 17 14.589 8.983 -24.178 1.00 62.13 H new ATOM 286 N CYS A 18 19.766 2.418 -19.943 1.00 73.55 N ATOM 287 CA CYS A 18 21.150 2.168 -19.556 1.00 13.52 C ATOM 288 C CYS A 18 21.653 0.857 -20.149 1.00 32.51 C ATOM 289 O CYS A 18 22.791 0.769 -20.609 1.00 52.12 O ATOM 290 CB CYS A 18 21.276 2.135 -18.032 1.00 42.11 C ATOM 291 SG CYS A 18 22.789 1.345 -17.434 1.00 51.51 S ATOM 0 H CYS A 18 19.088 2.289 -19.192 1.00 73.55 H new ATOM 0 HA CYS A 18 21.763 2.980 -19.947 1.00 13.52 H new ATOM 0 HB2 CYS A 18 21.238 3.156 -17.653 1.00 42.11 H new ATOM 0 HB3 CYS A 18 20.416 1.609 -17.618 1.00 42.11 H new ATOM 0 HG CYS A 18 22.498 0.191 -16.911 1.00 51.51 H new ATOM 297 N GLN A 19 20.798 -0.161 -20.133 1.00 15.34 N ATOM 298 CA GLN A 19 21.157 -1.469 -20.667 1.00 10.01 C ATOM 299 C GLN A 19 21.235 -1.432 -22.190 1.00 20.45 C ATOM 300 O GLN A 19 22.037 -2.141 -22.797 1.00 20.22 O ATOM 301 CB GLN A 19 20.141 -2.522 -20.222 1.00 14.14 C ATOM 302 CG GLN A 19 20.128 -2.758 -18.720 1.00 34.20 C ATOM 303 CD GLN A 19 20.708 -4.105 -18.336 1.00 74.21 C ATOM 304 OE1 GLN A 19 19.980 -5.088 -18.187 1.00 43.44 O ATOM 305 NE2 GLN A 19 22.024 -4.158 -18.174 1.00 24.45 N ATOM 0 H GLN A 19 19.852 -0.105 -19.756 1.00 15.34 H new ATOM 0 HA GLN A 19 22.139 -1.735 -20.277 1.00 10.01 H new ATOM 0 HB2 GLN A 19 19.146 -2.213 -20.541 1.00 14.14 H new ATOM 0 HB3 GLN A 19 20.360 -3.463 -20.727 1.00 14.14 H new ATOM 0 HG2 GLN A 19 20.695 -1.969 -18.227 1.00 34.20 H new ATOM 0 HG3 GLN A 19 19.103 -2.690 -18.354 1.00 34.20 H new ATOM 0 HE21 GLN A 19 22.588 -3.319 -18.308 1.00 24.45 H new ATOM 0 HE22 GLN A 19 22.471 -5.038 -17.916 1.00 24.45 H new ATOM 314 N ALA A 20 20.396 -0.602 -22.800 1.00 44.23 N ATOM 315 CA ALA A 20 20.372 -0.472 -24.252 1.00 12.21 C ATOM 316 C ALA A 20 21.428 0.517 -24.732 1.00 40.54 C ATOM 317 O ALA A 20 21.960 0.386 -25.836 1.00 1.44 O ATOM 318 CB ALA A 20 18.990 -0.040 -24.720 1.00 32.12 C ATOM 0 H ALA A 20 19.724 -0.010 -22.312 1.00 44.23 H new ATOM 0 HA ALA A 20 20.602 -1.446 -24.683 1.00 12.21 H new ATOM 0 HB1 ALA A 20 18.986 0.053 -25.806 1.00 32.12 H new ATOM 0 HB2 ALA A 20 18.254 -0.785 -24.417 1.00 32.12 H new ATOM 0 HB3 ALA A 20 18.738 0.922 -24.272 1.00 32.12 H new ATOM 324 N LEU A 21 21.727 1.508 -23.899 1.00 21.31 N ATOM 325 CA LEU A 21 22.720 2.521 -24.239 1.00 62.31 C ATOM 326 C LEU A 21 22.402 3.165 -25.585 1.00 22.42 C ATOM 327 O LEU A 21 23.106 2.948 -26.570 1.00 70.42 O ATOM 328 CB LEU A 21 24.118 1.901 -24.275 1.00 61.32 C ATOM 329 CG LEU A 21 24.725 1.533 -22.920 1.00 55.25 C ATOM 330 CD1 LEU A 21 26.120 0.957 -23.099 1.00 64.42 C ATOM 331 CD2 LEU A 21 24.761 2.748 -22.005 1.00 54.20 C ATOM 0 H LEU A 21 21.296 1.632 -22.983 1.00 21.31 H new ATOM 0 HA LEU A 21 22.692 3.294 -23.471 1.00 62.31 H new ATOM 0 HB2 LEU A 21 24.079 1.001 -24.889 1.00 61.32 H new ATOM 0 HB3 LEU A 21 24.790 2.599 -24.774 1.00 61.32 H new ATOM 0 HG LEU A 21 24.097 0.772 -22.456 1.00 55.25 H new ATOM 0 HD11 LEU A 21 26.536 0.701 -22.124 1.00 64.42 H new ATOM 0 HD12 LEU A 21 26.067 0.061 -23.718 1.00 64.42 H new ATOM 0 HD13 LEU A 21 26.759 1.695 -23.584 1.00 64.42 H new ATOM 0 HD21 LEU A 21 25.196 2.468 -21.045 1.00 54.20 H new ATOM 0 HD22 LEU A 21 25.366 3.531 -22.463 1.00 54.20 H new ATOM 0 HD23 LEU A 21 23.747 3.117 -21.850 1.00 54.20 H new ATOM 343 N GLY A 22 21.337 3.960 -25.618 1.00 2.24 N ATOM 344 CA GLY A 22 20.946 4.625 -26.847 1.00 11.54 C ATOM 345 C GLY A 22 22.112 5.307 -27.533 1.00 44.55 C ATOM 346 O GLY A 22 22.140 5.422 -28.758 1.00 41.00 O ATOM 0 H GLY A 22 20.738 4.155 -24.816 1.00 2.24 H new ATOM 0 HA2 GLY A 22 20.505 3.896 -27.526 1.00 11.54 H new ATOM 0 HA3 GLY A 22 20.175 5.364 -26.627 1.00 11.54 H new ATOM 393 N GLU A 27 22.189 10.901 -21.423 1.00 72.20 N ATOM 394 CA GLU A 27 21.371 9.842 -20.843 1.00 51.00 C ATOM 395 C GLU A 27 22.133 9.106 -19.745 1.00 32.13 C ATOM 396 O GLU A 27 21.639 8.954 -18.627 1.00 10.34 O ATOM 397 CB GLU A 27 20.934 8.854 -21.926 1.00 73.51 C ATOM 398 CG GLU A 27 19.763 9.344 -22.761 1.00 51.11 C ATOM 399 CD GLU A 27 19.246 8.288 -23.719 1.00 23.03 C ATOM 400 OE1 GLU A 27 19.828 7.184 -23.755 1.00 71.30 O ATOM 401 OE2 GLU A 27 18.259 8.566 -24.432 1.00 5.52 O ATOM 0 HA GLU A 27 20.486 10.301 -20.402 1.00 51.00 H new ATOM 0 HB2 GLU A 27 21.779 8.652 -22.584 1.00 73.51 H new ATOM 0 HB3 GLU A 27 20.663 7.909 -21.456 1.00 73.51 H new ATOM 0 HG2 GLU A 27 18.955 9.655 -22.099 1.00 51.11 H new ATOM 0 HG3 GLU A 27 20.068 10.224 -23.327 1.00 51.11 H new ATOM 408 N CYS A 28 23.337 8.650 -20.072 1.00 10.52 N ATOM 409 CA CYS A 28 24.167 7.929 -19.114 1.00 65.42 C ATOM 410 C CYS A 28 24.389 8.757 -17.853 1.00 52.52 C ATOM 411 O CYS A 28 24.283 8.249 -16.738 1.00 30.24 O ATOM 412 CB CYS A 28 25.513 7.568 -19.745 1.00 3.11 C ATOM 413 SG CYS A 28 25.379 6.715 -21.333 1.00 62.33 S ATOM 0 H CYS A 28 23.760 8.767 -20.993 1.00 10.52 H new ATOM 0 HA CYS A 28 23.645 7.013 -18.837 1.00 65.42 H new ATOM 0 HB2 CYS A 28 26.094 8.480 -19.883 1.00 3.11 H new ATOM 0 HB3 CYS A 28 26.070 6.937 -19.052 1.00 3.11 H new ATOM 0 HG CYS A 28 26.569 6.454 -21.787 1.00 62.33 H new ATOM 419 N ALA A 29 24.698 10.037 -18.039 1.00 22.53 N ATOM 420 CA ALA A 29 24.934 10.936 -16.916 1.00 43.03 C ATOM 421 C ALA A 29 23.695 11.051 -16.035 1.00 41.31 C ATOM 422 O ALA A 29 23.786 10.991 -14.809 1.00 51.53 O ATOM 423 CB ALA A 29 25.356 12.309 -17.420 1.00 31.44 C ATOM 0 H ALA A 29 24.791 10.474 -18.956 1.00 22.53 H new ATOM 0 HA ALA A 29 25.739 10.519 -16.311 1.00 43.03 H new ATOM 0 HB1 ALA A 29 25.529 12.971 -16.571 1.00 31.44 H new ATOM 0 HB2 ALA A 29 26.273 12.217 -18.001 1.00 31.44 H new ATOM 0 HB3 ALA A 29 24.568 12.724 -18.049 1.00 31.44 H new ATOM 429 N ALA A 30 22.538 11.218 -16.668 1.00 22.53 N ATOM 430 CA ALA A 30 21.281 11.340 -15.941 1.00 33.12 C ATOM 431 C ALA A 30 21.019 10.105 -15.085 1.00 51.12 C ATOM 432 O ALA A 30 20.525 10.209 -13.962 1.00 5.00 O ATOM 433 CB ALA A 30 20.130 11.566 -16.911 1.00 4.14 C ATOM 0 H ALA A 30 22.446 11.272 -17.682 1.00 22.53 H new ATOM 0 HA ALA A 30 21.357 12.201 -15.277 1.00 33.12 H new ATOM 0 HB1 ALA A 30 19.197 11.655 -16.354 1.00 4.14 H new ATOM 0 HB2 ALA A 30 20.305 12.482 -17.476 1.00 4.14 H new ATOM 0 HB3 ALA A 30 20.063 10.723 -17.599 1.00 4.14 H new ATOM 439 N PHE A 31 21.352 8.937 -15.624 1.00 35.55 N ATOM 440 CA PHE A 31 21.151 7.681 -14.910 1.00 35.05 C ATOM 441 C PHE A 31 22.056 7.602 -13.684 1.00 34.54 C ATOM 442 O PHE A 31 21.606 7.264 -12.589 1.00 63.21 O ATOM 443 CB PHE A 31 21.422 6.494 -15.836 1.00 21.21 C ATOM 444 CG PHE A 31 20.654 6.551 -17.125 1.00 54.31 C ATOM 445 CD1 PHE A 31 19.360 7.046 -17.154 1.00 52.22 C ATOM 446 CD2 PHE A 31 21.225 6.110 -18.308 1.00 31.13 C ATOM 447 CE1 PHE A 31 18.650 7.101 -18.339 1.00 31.20 C ATOM 448 CE2 PHE A 31 20.520 6.163 -19.495 1.00 61.54 C ATOM 449 CZ PHE A 31 19.231 6.657 -19.511 1.00 14.41 C ATOM 0 H PHE A 31 21.762 8.834 -16.552 1.00 35.55 H new ATOM 0 HA PHE A 31 20.114 7.643 -14.577 1.00 35.05 H new ATOM 0 HB2 PHE A 31 22.488 6.454 -16.059 1.00 21.21 H new ATOM 0 HB3 PHE A 31 21.171 5.571 -15.313 1.00 21.21 H new ATOM 0 HD1 PHE A 31 18.901 7.393 -16.240 1.00 52.22 H new ATOM 0 HD2 PHE A 31 22.232 5.721 -18.302 1.00 31.13 H new ATOM 0 HE1 PHE A 31 17.643 7.490 -18.348 1.00 31.20 H new ATOM 0 HE2 PHE A 31 20.977 5.818 -20.410 1.00 61.54 H new ATOM 0 HZ PHE A 31 18.678 6.696 -20.438 1.00 14.41 H new ATOM 459 N GLU A 32 23.333 7.915 -13.877 1.00 60.32 N ATOM 460 CA GLU A 32 24.302 7.877 -12.788 1.00 14.32 C ATOM 461 C GLU A 32 23.865 8.784 -11.640 1.00 61.34 C ATOM 462 O GLU A 32 23.908 8.393 -10.474 1.00 22.53 O ATOM 463 CB GLU A 32 25.684 8.301 -13.290 1.00 15.14 C ATOM 464 CG GLU A 32 26.831 7.651 -12.535 1.00 11.35 C ATOM 465 CD GLU A 32 28.133 7.684 -13.311 1.00 72.42 C ATOM 466 OE1 GLU A 32 28.104 7.406 -14.528 1.00 72.44 O ATOM 467 OE2 GLU A 32 29.180 7.986 -12.702 1.00 41.34 O ATOM 0 H GLU A 32 23.721 8.198 -14.777 1.00 60.32 H new ATOM 0 HA GLU A 32 24.356 6.853 -12.419 1.00 14.32 H new ATOM 0 HB2 GLU A 32 25.769 8.052 -14.348 1.00 15.14 H new ATOM 0 HB3 GLU A 32 25.774 9.384 -13.209 1.00 15.14 H new ATOM 0 HG2 GLU A 32 26.968 8.160 -11.581 1.00 11.35 H new ATOM 0 HG3 GLU A 32 26.573 6.616 -12.310 1.00 11.35 H new ATOM 474 N LYS A 33 23.445 9.998 -11.980 1.00 61.41 N ATOM 475 CA LYS A 33 23.000 10.961 -10.981 1.00 14.24 C ATOM 476 C LYS A 33 21.685 10.519 -10.346 1.00 71.33 C ATOM 477 O LYS A 33 21.600 10.345 -9.131 1.00 53.21 O ATOM 478 CB LYS A 33 22.832 12.344 -11.614 1.00 44.04 C ATOM 479 CG LYS A 33 23.733 13.405 -11.006 1.00 21.00 C ATOM 480 CD LYS A 33 24.712 13.959 -12.028 1.00 32.50 C ATOM 481 CE LYS A 33 25.949 13.082 -12.146 1.00 43.22 C ATOM 482 NZ LYS A 33 26.469 13.042 -13.541 1.00 60.51 N ATOM 0 H LYS A 33 23.404 10.338 -12.941 1.00 61.41 H new ATOM 0 HA LYS A 33 23.760 11.014 -10.202 1.00 14.24 H new ATOM 0 HB2 LYS A 33 23.038 12.273 -12.682 1.00 44.04 H new ATOM 0 HB3 LYS A 33 21.793 12.658 -11.510 1.00 44.04 H new ATOM 0 HG2 LYS A 33 23.124 14.216 -10.608 1.00 21.00 H new ATOM 0 HG3 LYS A 33 24.284 12.979 -10.167 1.00 21.00 H new ATOM 0 HD2 LYS A 33 24.223 14.033 -12.999 1.00 32.50 H new ATOM 0 HD3 LYS A 33 25.006 14.969 -11.742 1.00 32.50 H new ATOM 0 HE2 LYS A 33 26.725 13.458 -11.480 1.00 43.22 H new ATOM 0 HE3 LYS A 33 25.710 12.070 -11.818 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 27.312 12.434 -13.580 1.00 60.51 H new ATOM 0 HZ2 LYS A 33 25.737 12.660 -14.173 1.00 60.51 H new ATOM 0 HZ3 LYS A 33 26.721 14.004 -13.845 1.00 60.51 H new ATOM 496 N GLU A 34 20.663 10.337 -11.178 1.00 25.14 N ATOM 497 CA GLU A 34 19.354 9.914 -10.696 1.00 73.13 C ATOM 498 C GLU A 34 19.473 8.676 -9.812 1.00 12.24 C ATOM 499 O GLU A 34 18.906 8.624 -8.720 1.00 11.13 O ATOM 500 CB GLU A 34 18.422 9.624 -11.875 1.00 12.02 C ATOM 501 CG GLU A 34 18.023 10.865 -12.655 1.00 11.30 C ATOM 502 CD GLU A 34 16.676 11.416 -12.227 1.00 25.12 C ATOM 503 OE1 GLU A 34 16.439 11.517 -11.005 1.00 1.32 O ATOM 504 OE2 GLU A 34 15.860 11.745 -13.113 1.00 24.22 O ATOM 0 H GLU A 34 20.717 10.476 -12.187 1.00 25.14 H new ATOM 0 HA GLU A 34 18.935 10.725 -10.101 1.00 73.13 H new ATOM 0 HB2 GLU A 34 18.912 8.923 -12.550 1.00 12.02 H new ATOM 0 HB3 GLU A 34 17.522 9.134 -11.504 1.00 12.02 H new ATOM 0 HG2 GLU A 34 18.784 11.633 -12.522 1.00 11.30 H new ATOM 0 HG3 GLU A 34 17.993 10.627 -13.718 1.00 11.30 H new ATOM 511 N ILE A 35 20.213 7.683 -10.291 1.00 61.52 N ATOM 512 CA ILE A 35 20.407 6.446 -9.544 1.00 61.14 C ATOM 513 C ILE A 35 21.154 6.703 -8.240 1.00 62.21 C ATOM 514 O ILE A 35 20.810 6.149 -7.196 1.00 62.15 O ATOM 515 CB ILE A 35 21.184 5.405 -10.372 1.00 23.24 C ATOM 516 CG1 ILE A 35 20.328 4.906 -11.537 1.00 63.45 C ATOM 517 CG2 ILE A 35 21.617 4.243 -9.489 1.00 54.14 C ATOM 518 CD1 ILE A 35 19.119 4.108 -11.101 1.00 41.34 C ATOM 0 H ILE A 35 20.688 7.710 -11.193 1.00 61.52 H new ATOM 0 HA ILE A 35 19.415 6.053 -9.320 1.00 61.14 H new ATOM 0 HB ILE A 35 22.077 5.879 -10.779 1.00 23.24 H new ATOM 0 HG12 ILE A 35 19.996 5.761 -12.125 1.00 63.45 H new ATOM 0 HG13 ILE A 35 20.944 4.289 -12.191 1.00 63.45 H new ATOM 0 HG21 ILE A 35 22.165 3.515 -10.088 1.00 54.14 H new ATOM 0 HG22 ILE A 35 22.260 4.613 -8.690 1.00 54.14 H new ATOM 0 HG23 ILE A 35 20.737 3.767 -9.056 1.00 54.14 H new ATOM 0 HD11 ILE A 35 18.559 3.787 -11.979 1.00 41.34 H new ATOM 0 HD12 ILE A 35 19.444 3.233 -10.538 1.00 41.34 H new ATOM 0 HD13 ILE A 35 18.481 4.728 -10.471 1.00 41.34 H new ATOM 530 N ALA A 36 22.178 7.548 -8.307 1.00 54.04 N ATOM 531 CA ALA A 36 22.971 7.882 -7.131 1.00 62.22 C ATOM 532 C ALA A 36 22.089 8.415 -6.007 1.00 44.43 C ATOM 533 O ALA A 36 22.189 7.971 -4.864 1.00 14.41 O ATOM 534 CB ALA A 36 24.045 8.898 -7.490 1.00 51.42 C ATOM 0 H ALA A 36 22.477 8.014 -9.164 1.00 54.04 H new ATOM 0 HA ALA A 36 23.453 6.971 -6.777 1.00 62.22 H new ATOM 0 HB1 ALA A 36 24.630 9.138 -6.602 1.00 51.42 H new ATOM 0 HB2 ALA A 36 24.700 8.480 -8.254 1.00 51.42 H new ATOM 0 HB3 ALA A 36 23.575 9.805 -7.871 1.00 51.42 H new ATOM 540 N ALA A 37 21.228 9.371 -6.340 1.00 74.34 N ATOM 541 CA ALA A 37 20.328 9.964 -5.359 1.00 74.41 C ATOM 542 C ALA A 37 19.310 8.943 -4.861 1.00 12.24 C ATOM 543 O ALA A 37 18.956 8.930 -3.681 1.00 73.35 O ATOM 544 CB ALA A 37 19.619 11.171 -5.955 1.00 11.13 C ATOM 0 H ALA A 37 21.135 9.751 -7.282 1.00 74.34 H new ATOM 0 HA ALA A 37 20.924 10.291 -4.507 1.00 74.41 H new ATOM 0 HB1 ALA A 37 18.950 11.604 -5.211 1.00 11.13 H new ATOM 0 HB2 ALA A 37 20.357 11.915 -6.256 1.00 11.13 H new ATOM 0 HB3 ALA A 37 19.041 10.860 -6.826 1.00 11.13 H new ATOM 550 N PHE A 38 18.842 8.090 -5.766 1.00 1.21 N ATOM 551 CA PHE A 38 17.863 7.067 -5.418 1.00 21.10 C ATOM 552 C PHE A 38 18.388 6.169 -4.301 1.00 50.32 C ATOM 553 O PHE A 38 17.749 6.018 -3.261 1.00 14.11 O ATOM 554 CB PHE A 38 17.518 6.223 -6.646 1.00 71.45 C ATOM 555 CG PHE A 38 16.171 6.538 -7.231 1.00 51.14 C ATOM 556 CD1 PHE A 38 15.768 7.852 -7.409 1.00 23.14 C ATOM 557 CD2 PHE A 38 15.307 5.521 -7.604 1.00 21.45 C ATOM 558 CE1 PHE A 38 14.530 8.146 -7.947 1.00 34.30 C ATOM 559 CE2 PHE A 38 14.067 5.808 -8.143 1.00 5.23 C ATOM 560 CZ PHE A 38 13.678 7.122 -8.313 1.00 53.35 C ATOM 0 H PHE A 38 19.125 8.087 -6.746 1.00 1.21 H new ATOM 0 HA PHE A 38 16.962 7.568 -5.064 1.00 21.10 H new ATOM 0 HB2 PHE A 38 18.281 6.377 -7.409 1.00 71.45 H new ATOM 0 HB3 PHE A 38 17.549 5.168 -6.372 1.00 71.45 H new ATOM 0 HD1 PHE A 38 16.430 8.656 -7.124 1.00 23.14 H new ATOM 0 HD2 PHE A 38 15.606 4.492 -7.472 1.00 21.45 H new ATOM 0 HE1 PHE A 38 14.229 9.174 -8.081 1.00 34.30 H new ATOM 0 HE2 PHE A 38 13.403 5.006 -8.431 1.00 5.23 H new ATOM 0 HZ PHE A 38 12.709 7.349 -8.732 1.00 53.35 H new ATOM 570 N GLU A 39 19.556 5.576 -4.526 1.00 42.25 N ATOM 571 CA GLU A 39 20.166 4.692 -3.540 1.00 2.50 C ATOM 572 C GLU A 39 20.498 5.453 -2.259 1.00 53.23 C ATOM 573 O GLU A 39 20.319 4.939 -1.155 1.00 63.23 O ATOM 574 CB GLU A 39 21.435 4.054 -4.110 1.00 33.02 C ATOM 575 CG GLU A 39 22.475 5.065 -4.561 1.00 4.14 C ATOM 576 CD GLU A 39 23.697 4.410 -5.175 1.00 3.31 C ATOM 577 OE1 GLU A 39 23.609 3.220 -5.544 1.00 44.41 O ATOM 578 OE2 GLU A 39 24.741 5.087 -5.286 1.00 71.31 O ATOM 0 H GLU A 39 20.099 5.692 -5.382 1.00 42.25 H new ATOM 0 HA GLU A 39 19.449 3.907 -3.301 1.00 2.50 H new ATOM 0 HB2 GLU A 39 21.876 3.405 -3.354 1.00 33.02 H new ATOM 0 HB3 GLU A 39 21.165 3.421 -4.956 1.00 33.02 H new ATOM 0 HG2 GLU A 39 22.027 5.742 -5.288 1.00 4.14 H new ATOM 0 HG3 GLU A 39 22.782 5.670 -3.708 1.00 4.14 H new ATOM 585 N SER A 40 20.982 6.681 -2.416 1.00 11.11 N ATOM 586 CA SER A 40 21.343 7.512 -1.273 1.00 71.12 C ATOM 587 C SER A 40 20.108 7.877 -0.455 1.00 52.24 C ATOM 588 O SER A 40 20.192 8.087 0.754 1.00 13.51 O ATOM 589 CB SER A 40 22.051 8.784 -1.744 1.00 23.42 C ATOM 590 OG SER A 40 22.140 9.735 -0.697 1.00 51.14 O ATOM 0 H SER A 40 21.133 7.122 -3.323 1.00 11.11 H new ATOM 0 HA SER A 40 22.021 6.940 -0.639 1.00 71.12 H new ATOM 0 HB2 SER A 40 23.051 8.537 -2.101 1.00 23.42 H new ATOM 0 HB3 SER A 40 21.509 9.215 -2.586 1.00 23.42 H new ATOM 0 HG SER A 40 22.598 10.538 -1.023 1.00 51.14 H new ATOM 596 N GLU A 41 18.962 7.951 -1.126 1.00 22.41 N ATOM 597 CA GLU A 41 17.710 8.291 -0.462 1.00 14.44 C ATOM 598 C GLU A 41 17.067 7.053 0.157 1.00 61.05 C ATOM 599 O GLU A 41 16.362 7.142 1.163 1.00 64.21 O ATOM 600 CB GLU A 41 16.741 8.941 -1.453 1.00 24.05 C ATOM 601 CG GLU A 41 16.876 10.452 -1.533 1.00 12.30 C ATOM 602 CD GLU A 41 16.292 11.023 -2.811 1.00 34.23 C ATOM 603 OE1 GLU A 41 16.599 10.487 -3.896 1.00 21.54 O ATOM 604 OE2 GLU A 41 15.526 12.006 -2.725 1.00 61.00 O ATOM 0 H GLU A 41 18.876 7.780 -2.128 1.00 22.41 H new ATOM 0 HA GLU A 41 17.933 9.000 0.335 1.00 14.44 H new ATOM 0 HB2 GLU A 41 16.908 8.517 -2.443 1.00 24.05 H new ATOM 0 HB3 GLU A 41 15.719 8.690 -1.167 1.00 24.05 H new ATOM 0 HG2 GLU A 41 16.376 10.904 -0.676 1.00 12.30 H new ATOM 0 HG3 GLU A 41 17.930 10.723 -1.467 1.00 12.30 H new ATOM 611 N LEU A 42 17.315 5.899 -0.453 1.00 33.21 N ATOM 612 CA LEU A 42 16.761 4.641 0.036 1.00 15.12 C ATOM 613 C LEU A 42 17.584 4.099 1.200 1.00 44.11 C ATOM 614 O LEU A 42 17.074 3.364 2.044 1.00 35.12 O ATOM 615 CB LEU A 42 16.711 3.610 -1.092 1.00 71.25 C ATOM 616 CG LEU A 42 15.844 3.975 -2.298 1.00 0.21 C ATOM 617 CD1 LEU A 42 16.405 3.353 -3.567 1.00 72.40 C ATOM 618 CD2 LEU A 42 14.406 3.531 -2.075 1.00 14.55 C ATOM 0 H LEU A 42 17.896 5.808 -1.287 1.00 33.21 H new ATOM 0 HA LEU A 42 15.748 4.832 0.390 1.00 15.12 H new ATOM 0 HB2 LEU A 42 17.728 3.434 -1.441 1.00 71.25 H new ATOM 0 HB3 LEU A 42 16.348 2.668 -0.680 1.00 71.25 H new ATOM 0 HG LEU A 42 15.855 5.059 -2.414 1.00 0.21 H new ATOM 0 HD11 LEU A 42 15.775 3.624 -4.414 1.00 72.40 H new ATOM 0 HD12 LEU A 42 17.417 3.720 -3.736 1.00 72.40 H new ATOM 0 HD13 LEU A 42 16.426 2.268 -3.462 1.00 72.40 H new ATOM 0 HD21 LEU A 42 13.804 3.799 -2.943 1.00 14.55 H new ATOM 0 HD22 LEU A 42 14.377 2.451 -1.932 1.00 14.55 H new ATOM 0 HD23 LEU A 42 14.006 4.025 -1.189 1.00 14.55 H new ATOM 630 N GLN A 43 18.860 4.469 1.238 1.00 44.12 N ATOM 631 CA GLN A 43 19.754 4.021 2.299 1.00 30.22 C ATOM 632 C GLN A 43 19.507 4.803 3.585 1.00 21.32 C ATOM 633 O GLN A 43 19.832 4.338 4.677 1.00 12.15 O ATOM 634 CB GLN A 43 21.213 4.176 1.866 1.00 12.00 C ATOM 635 CG GLN A 43 21.710 5.612 1.905 1.00 14.22 C ATOM 636 CD GLN A 43 22.631 5.879 3.079 1.00 1.10 C ATOM 637 OE1 GLN A 43 23.607 5.160 3.293 1.00 62.30 O ATOM 638 NE2 GLN A 43 22.326 6.918 3.848 1.00 54.15 N ATOM 0 H GLN A 43 19.298 5.078 0.546 1.00 44.12 H new ATOM 0 HA GLN A 43 19.550 2.968 2.491 1.00 30.22 H new ATOM 0 HB2 GLN A 43 21.842 3.565 2.513 1.00 12.00 H new ATOM 0 HB3 GLN A 43 21.326 3.789 0.853 1.00 12.00 H new ATOM 0 HG2 GLN A 43 22.236 5.836 0.977 1.00 14.22 H new ATOM 0 HG3 GLN A 43 20.856 6.287 1.958 1.00 14.22 H new ATOM 0 HE21 GLN A 43 21.507 7.488 3.634 1.00 54.15 H new ATOM 0 HE22 GLN A 43 22.910 7.146 4.652 1.00 54.15 H new ATOM 647 N ALA A 44 18.931 5.992 3.447 1.00 10.32 N ATOM 648 CA ALA A 44 18.639 6.838 4.598 1.00 22.11 C ATOM 649 C ALA A 44 17.383 6.365 5.322 1.00 3.03 C ATOM 650 O ALA A 44 17.176 6.678 6.495 1.00 24.31 O ATOM 651 CB ALA A 44 18.485 8.288 4.162 1.00 23.54 C ATOM 0 H ALA A 44 18.657 6.392 2.549 1.00 10.32 H new ATOM 0 HA ALA A 44 19.476 6.766 5.292 1.00 22.11 H new ATOM 0 HB1 ALA A 44 18.267 8.908 5.031 1.00 23.54 H new ATOM 0 HB2 ALA A 44 19.410 8.628 3.696 1.00 23.54 H new ATOM 0 HB3 ALA A 44 17.667 8.368 3.446 1.00 23.54 H new ATOM 764 N GLU A 52 12.063 -4.348 0.758 1.00 3.03 N ATOM 765 CA GLU A 52 11.736 -3.343 -0.247 1.00 32.44 C ATOM 766 C GLU A 52 12.975 -2.545 -0.641 1.00 53.42 C ATOM 767 O GLU A 52 13.239 -2.331 -1.825 1.00 32.44 O ATOM 768 CB GLU A 52 10.652 -2.399 0.278 1.00 24.03 C ATOM 769 CG GLU A 52 11.003 -1.748 1.605 1.00 5.25 C ATOM 770 CD GLU A 52 9.792 -1.548 2.496 1.00 43.03 C ATOM 771 OE1 GLU A 52 9.329 -2.538 3.099 1.00 74.23 O ATOM 772 OE2 GLU A 52 9.309 -0.400 2.589 1.00 34.34 O ATOM 0 HA GLU A 52 11.361 -3.858 -1.131 1.00 32.44 H new ATOM 0 HB2 GLU A 52 10.471 -1.620 -0.463 1.00 24.03 H new ATOM 0 HB3 GLU A 52 9.721 -2.955 0.390 1.00 24.03 H new ATOM 0 HG2 GLU A 52 11.735 -2.366 2.126 1.00 5.25 H new ATOM 0 HG3 GLU A 52 11.475 -0.783 1.418 1.00 5.25 H new ATOM 779 N VAL A 53 13.731 -2.104 0.359 1.00 23.42 N ATOM 780 CA VAL A 53 14.943 -1.330 0.118 1.00 15.41 C ATOM 781 C VAL A 53 16.029 -2.191 -0.514 1.00 64.45 C ATOM 782 O VAL A 53 16.964 -1.677 -1.128 1.00 20.03 O ATOM 783 CB VAL A 53 15.484 -0.715 1.422 1.00 4.42 C ATOM 784 CG1 VAL A 53 16.631 0.240 1.126 1.00 0.04 C ATOM 785 CG2 VAL A 53 14.371 -0.006 2.179 1.00 4.11 C ATOM 0 H VAL A 53 13.526 -2.270 1.344 1.00 23.42 H new ATOM 0 HA VAL A 53 14.675 -0.528 -0.570 1.00 15.41 H new ATOM 0 HB VAL A 53 15.865 -1.519 2.052 1.00 4.42 H new ATOM 0 HG11 VAL A 53 17.001 0.665 2.059 1.00 0.04 H new ATOM 0 HG12 VAL A 53 17.436 -0.301 0.630 1.00 0.04 H new ATOM 0 HG13 VAL A 53 16.279 1.042 0.477 1.00 0.04 H new ATOM 0 HG21 VAL A 53 14.772 0.423 3.098 1.00 4.11 H new ATOM 0 HG22 VAL A 53 13.958 0.789 1.558 1.00 4.11 H new ATOM 0 HG23 VAL A 53 13.585 -0.721 2.424 1.00 4.11 H new ATOM 795 N GLU A 54 15.899 -3.505 -0.361 1.00 62.51 N ATOM 796 CA GLU A 54 16.871 -4.439 -0.918 1.00 5.13 C ATOM 797 C GLU A 54 16.815 -4.439 -2.443 1.00 14.24 C ATOM 798 O GLU A 54 17.841 -4.331 -3.113 1.00 23.35 O ATOM 799 CB GLU A 54 16.617 -5.851 -0.387 1.00 24.30 C ATOM 800 CG GLU A 54 16.757 -5.969 1.121 1.00 22.14 C ATOM 801 CD GLU A 54 18.202 -5.927 1.578 1.00 4.14 C ATOM 802 OE1 GLU A 54 18.840 -7.000 1.626 1.00 3.43 O ATOM 803 OE2 GLU A 54 18.695 -4.822 1.888 1.00 23.43 O ATOM 0 H GLU A 54 15.131 -3.947 0.144 1.00 62.51 H new ATOM 0 HA GLU A 54 17.865 -4.116 -0.609 1.00 5.13 H new ATOM 0 HB2 GLU A 54 15.613 -6.163 -0.676 1.00 24.30 H new ATOM 0 HB3 GLU A 54 17.315 -6.540 -0.863 1.00 24.30 H new ATOM 0 HG2 GLU A 54 16.205 -5.159 1.598 1.00 22.14 H new ATOM 0 HG3 GLU A 54 16.302 -6.902 1.452 1.00 22.14 H new ATOM 810 N ALA A 55 15.607 -4.561 -2.984 1.00 11.32 N ATOM 811 CA ALA A 55 15.415 -4.573 -4.429 1.00 20.34 C ATOM 812 C ALA A 55 15.772 -3.223 -5.042 1.00 30.43 C ATOM 813 O ALA A 55 16.367 -3.157 -6.118 1.00 53.33 O ATOM 814 CB ALA A 55 13.979 -4.946 -4.767 1.00 41.31 C ATOM 0 H ALA A 55 14.747 -4.653 -2.443 1.00 11.32 H new ATOM 0 HA ALA A 55 16.083 -5.322 -4.853 1.00 20.34 H new ATOM 0 HB1 ALA A 55 13.850 -4.951 -5.849 1.00 41.31 H new ATOM 0 HB2 ALA A 55 13.757 -5.937 -4.370 1.00 41.31 H new ATOM 0 HB3 ALA A 55 13.300 -4.218 -4.324 1.00 41.31 H new ATOM 820 N LEU A 56 15.405 -2.150 -4.351 1.00 1.22 N ATOM 821 CA LEU A 56 15.686 -0.800 -4.828 1.00 23.11 C ATOM 822 C LEU A 56 17.189 -0.548 -4.893 1.00 41.34 C ATOM 823 O LEU A 56 17.714 -0.132 -5.926 1.00 43.13 O ATOM 824 CB LEU A 56 15.023 0.233 -3.915 1.00 44.12 C ATOM 825 CG LEU A 56 13.522 0.060 -3.685 1.00 33.44 C ATOM 826 CD1 LEU A 56 13.122 0.619 -2.328 1.00 51.32 C ATOM 827 CD2 LEU A 56 12.730 0.733 -4.796 1.00 41.20 C ATOM 0 H LEU A 56 14.912 -2.188 -3.459 1.00 1.22 H new ATOM 0 HA LEU A 56 15.276 -0.703 -5.833 1.00 23.11 H new ATOM 0 HB2 LEU A 56 15.524 0.208 -2.947 1.00 44.12 H new ATOM 0 HB3 LEU A 56 15.194 1.224 -4.336 1.00 44.12 H new ATOM 0 HG LEU A 56 13.293 -1.006 -3.698 1.00 33.44 H new ATOM 0 HD11 LEU A 56 12.050 0.487 -2.182 1.00 51.32 H new ATOM 0 HD12 LEU A 56 13.663 0.091 -1.543 1.00 51.32 H new ATOM 0 HD13 LEU A 56 13.366 1.680 -2.285 1.00 51.32 H new ATOM 0 HD21 LEU A 56 11.663 0.599 -4.615 1.00 41.20 H new ATOM 0 HD22 LEU A 56 12.964 1.797 -4.816 1.00 41.20 H new ATOM 0 HD23 LEU A 56 12.994 0.285 -5.754 1.00 41.20 H new ATOM 839 N ARG A 57 17.876 -0.804 -3.785 1.00 12.03 N ATOM 840 CA ARG A 57 19.319 -0.606 -3.717 1.00 15.54 C ATOM 841 C ARG A 57 20.042 -1.543 -4.678 1.00 63.43 C ATOM 842 O ARG A 57 21.073 -1.189 -5.251 1.00 54.45 O ATOM 843 CB ARG A 57 19.820 -0.835 -2.290 1.00 35.15 C ATOM 844 CG ARG A 57 19.866 -2.301 -1.889 1.00 3.52 C ATOM 845 CD ARG A 57 20.457 -2.479 -0.499 1.00 61.51 C ATOM 846 NE ARG A 57 21.851 -2.912 -0.549 1.00 21.35 N ATOM 847 CZ ARG A 57 22.226 -4.147 -0.862 1.00 64.30 C ATOM 848 NH1 ARG A 57 21.316 -5.067 -1.153 1.00 4.32 N ATOM 849 NH2 ARG A 57 23.515 -4.465 -0.886 1.00 14.34 N ATOM 0 H ARG A 57 17.457 -1.149 -2.922 1.00 12.03 H new ATOM 0 HA ARG A 57 19.534 0.422 -4.009 1.00 15.54 H new ATOM 0 HB2 ARG A 57 20.818 -0.409 -2.191 1.00 35.15 H new ATOM 0 HB3 ARG A 57 19.174 -0.297 -1.596 1.00 35.15 H new ATOM 0 HG2 ARG A 57 18.859 -2.718 -1.914 1.00 3.52 H new ATOM 0 HG3 ARG A 57 20.460 -2.859 -2.613 1.00 3.52 H new ATOM 0 HD2 ARG A 57 20.389 -1.538 0.047 1.00 61.51 H new ATOM 0 HD3 ARG A 57 19.869 -3.212 0.054 1.00 61.51 H new ATOM 0 HE ARG A 57 22.576 -2.228 -0.332 1.00 21.35 H new ATOM 0 HH11 ARG A 57 20.325 -4.827 -1.137 1.00 4.32 H new ATOM 0 HH12 ARG A 57 21.607 -6.015 -1.393 1.00 4.32 H new ATOM 0 HH21 ARG A 57 24.218 -3.760 -0.664 1.00 14.34 H new ATOM 0 HH22 ARG A 57 23.802 -5.414 -1.127 1.00 14.34 H new ATOM 863 N LYS A 58 19.497 -2.743 -4.850 1.00 55.40 N ATOM 864 CA LYS A 58 20.088 -3.732 -5.742 1.00 63.52 C ATOM 865 C LYS A 58 20.056 -3.250 -7.189 1.00 12.43 C ATOM 866 O LYS A 58 21.087 -3.196 -7.857 1.00 43.14 O ATOM 867 CB LYS A 58 19.347 -5.066 -5.622 1.00 11.24 C ATOM 868 CG LYS A 58 19.884 -6.146 -6.545 1.00 10.04 C ATOM 869 CD LYS A 58 19.903 -7.504 -5.863 1.00 13.45 C ATOM 870 CE LYS A 58 21.322 -7.948 -5.545 1.00 22.22 C ATOM 871 NZ LYS A 58 21.920 -8.733 -6.660 1.00 44.32 N ATOM 0 H LYS A 58 18.646 -3.054 -4.382 1.00 55.40 H new ATOM 0 HA LYS A 58 21.128 -3.873 -5.447 1.00 63.52 H new ATOM 0 HB2 LYS A 58 19.411 -5.416 -4.592 1.00 11.24 H new ATOM 0 HB3 LYS A 58 18.291 -4.906 -5.840 1.00 11.24 H new ATOM 0 HG2 LYS A 58 19.268 -6.197 -7.443 1.00 10.04 H new ATOM 0 HG3 LYS A 58 20.893 -5.884 -6.865 1.00 10.04 H new ATOM 0 HD2 LYS A 58 19.320 -7.458 -4.943 1.00 13.45 H new ATOM 0 HD3 LYS A 58 19.425 -8.242 -6.507 1.00 13.45 H new ATOM 0 HE2 LYS A 58 21.940 -7.073 -5.345 1.00 22.22 H new ATOM 0 HE3 LYS A 58 21.319 -8.551 -4.637 1.00 22.22 H new ATOM 0 HZ1 LYS A 58 22.887 -9.017 -6.405 1.00 44.32 H new ATOM 0 HZ2 LYS A 58 21.345 -9.581 -6.835 1.00 44.32 H new ATOM 0 HZ3 LYS A 58 21.946 -8.149 -7.520 1.00 44.32 H new ATOM 885 N GLU A 59 18.865 -2.898 -7.664 1.00 70.30 N ATOM 886 CA GLU A 59 18.700 -2.419 -9.031 1.00 60.24 C ATOM 887 C GLU A 59 19.554 -1.179 -9.280 1.00 73.00 C ATOM 888 O GLU A 59 20.302 -1.113 -10.255 1.00 11.22 O ATOM 889 CB GLU A 59 17.229 -2.104 -9.311 1.00 1.21 C ATOM 890 CG GLU A 59 16.436 -3.297 -9.816 1.00 61.41 C ATOM 891 CD GLU A 59 16.637 -4.535 -8.963 1.00 11.32 C ATOM 892 OE1 GLU A 59 17.708 -5.167 -9.076 1.00 53.20 O ATOM 893 OE2 GLU A 59 15.722 -4.870 -8.181 1.00 63.43 O ATOM 0 H GLU A 59 18.001 -2.936 -7.123 1.00 70.30 H new ATOM 0 HA GLU A 59 19.030 -3.208 -9.707 1.00 60.24 H new ATOM 0 HB2 GLU A 59 16.766 -1.731 -8.397 1.00 1.21 H new ATOM 0 HB3 GLU A 59 17.172 -1.302 -10.047 1.00 1.21 H new ATOM 0 HG2 GLU A 59 15.376 -3.042 -9.836 1.00 61.41 H new ATOM 0 HG3 GLU A 59 16.730 -3.516 -10.842 1.00 61.41 H new ATOM 900 N ALA A 60 19.435 -0.198 -8.391 1.00 73.12 N ATOM 901 CA ALA A 60 20.196 1.039 -8.513 1.00 14.24 C ATOM 902 C ALA A 60 21.687 0.755 -8.659 1.00 34.33 C ATOM 903 O ALA A 60 22.333 1.242 -9.586 1.00 21.24 O ATOM 904 CB ALA A 60 19.943 1.935 -7.309 1.00 34.42 C ATOM 0 H ALA A 60 18.819 -0.236 -7.579 1.00 73.12 H new ATOM 0 HA ALA A 60 19.862 1.555 -9.413 1.00 14.24 H new ATOM 0 HB1 ALA A 60 20.518 2.855 -7.413 1.00 34.42 H new ATOM 0 HB2 ALA A 60 18.881 2.175 -7.251 1.00 34.42 H new ATOM 0 HB3 ALA A 60 20.249 1.417 -6.400 1.00 34.42 H new ATOM 910 N ALA A 61 22.226 -0.036 -7.737 1.00 64.31 N ATOM 911 CA ALA A 61 23.641 -0.386 -7.765 1.00 21.34 C ATOM 912 C ALA A 61 24.028 -1.002 -9.105 1.00 23.22 C ATOM 913 O ALA A 61 25.059 -0.657 -9.683 1.00 34.25 O ATOM 914 CB ALA A 61 23.970 -1.342 -6.628 1.00 24.25 C ATOM 0 H ALA A 61 21.705 -0.446 -6.962 1.00 64.31 H new ATOM 0 HA ALA A 61 24.219 0.529 -7.635 1.00 21.34 H new ATOM 0 HB1 ALA A 61 25.030 -1.595 -6.661 1.00 24.25 H new ATOM 0 HB2 ALA A 61 23.740 -0.866 -5.675 1.00 24.25 H new ATOM 0 HB3 ALA A 61 23.377 -2.250 -6.733 1.00 24.25 H new ATOM 920 N ALA A 62 23.196 -1.916 -9.593 1.00 41.14 N ATOM 921 CA ALA A 62 23.451 -2.579 -10.866 1.00 42.33 C ATOM 922 C ALA A 62 23.554 -1.566 -12.002 1.00 10.03 C ATOM 923 O ALA A 62 24.473 -1.628 -12.820 1.00 15.35 O ATOM 924 CB ALA A 62 22.358 -3.595 -11.161 1.00 30.25 C ATOM 0 H ALA A 62 22.340 -2.214 -9.126 1.00 41.14 H new ATOM 0 HA ALA A 62 24.405 -3.100 -10.790 1.00 42.33 H new ATOM 0 HB1 ALA A 62 22.562 -4.082 -12.115 1.00 30.25 H new ATOM 0 HB2 ALA A 62 22.334 -4.344 -10.369 1.00 30.25 H new ATOM 0 HB3 ALA A 62 21.394 -3.088 -11.211 1.00 30.25 H new ATOM 930 N ILE A 63 22.606 -0.636 -12.046 1.00 42.22 N ATOM 931 CA ILE A 63 22.591 0.390 -13.082 1.00 23.04 C ATOM 932 C ILE A 63 23.865 1.228 -13.043 1.00 53.05 C ATOM 933 O ILE A 63 24.463 1.514 -14.081 1.00 11.22 O ATOM 934 CB ILE A 63 21.373 1.321 -12.934 1.00 61.35 C ATOM 935 CG1 ILE A 63 20.075 0.517 -13.031 1.00 31.42 C ATOM 936 CG2 ILE A 63 21.408 2.410 -13.996 1.00 13.22 C ATOM 937 CD1 ILE A 63 18.859 1.272 -12.542 1.00 73.24 C ATOM 0 H ILE A 63 21.839 -0.572 -11.377 1.00 42.22 H new ATOM 0 HA ILE A 63 22.528 -0.128 -14.039 1.00 23.04 H new ATOM 0 HB ILE A 63 21.413 1.795 -11.953 1.00 61.35 H new ATOM 0 HG12 ILE A 63 19.917 0.222 -14.068 1.00 31.42 H new ATOM 0 HG13 ILE A 63 20.181 -0.400 -12.451 1.00 31.42 H new ATOM 0 HG21 ILE A 63 20.541 3.060 -13.879 1.00 13.22 H new ATOM 0 HG22 ILE A 63 22.320 2.997 -13.885 1.00 13.22 H new ATOM 0 HG23 ILE A 63 21.388 1.954 -14.986 1.00 13.22 H new ATOM 0 HD11 ILE A 63 17.975 0.641 -12.640 1.00 73.24 H new ATOM 0 HD12 ILE A 63 18.996 1.544 -11.495 1.00 73.24 H new ATOM 0 HD13 ILE A 63 18.728 2.175 -13.138 1.00 73.24 H new ATOM 949 N ARG A 64 24.275 1.617 -11.841 1.00 13.13 N ATOM 950 CA ARG A 64 25.478 2.422 -11.667 1.00 31.11 C ATOM 951 C ARG A 64 26.701 1.697 -12.220 1.00 44.24 C ATOM 952 O ARG A 64 27.506 2.282 -12.945 1.00 64.03 O ATOM 953 CB ARG A 64 25.690 2.747 -10.187 1.00 45.03 C ATOM 954 CG ARG A 64 26.755 3.804 -9.943 1.00 11.12 C ATOM 955 CD ARG A 64 27.173 3.846 -8.481 1.00 54.42 C ATOM 956 NE ARG A 64 27.236 5.213 -7.969 1.00 73.33 N ATOM 957 CZ ARG A 64 27.666 5.522 -6.751 1.00 55.01 C ATOM 958 NH1 ARG A 64 28.069 4.567 -5.924 1.00 74.04 N ATOM 959 NH2 ARG A 64 27.693 6.789 -6.358 1.00 24.02 N ATOM 0 H ARG A 64 23.792 1.388 -10.972 1.00 13.13 H new ATOM 0 HA ARG A 64 25.347 3.352 -12.221 1.00 31.11 H new ATOM 0 HB2 ARG A 64 24.747 3.088 -9.760 1.00 45.03 H new ATOM 0 HB3 ARG A 64 25.968 1.835 -9.659 1.00 45.03 H new ATOM 0 HG2 ARG A 64 27.625 3.596 -10.566 1.00 11.12 H new ATOM 0 HG3 ARG A 64 26.375 4.781 -10.242 1.00 11.12 H new ATOM 0 HD2 ARG A 64 26.467 3.268 -7.885 1.00 54.42 H new ATOM 0 HD3 ARG A 64 28.148 3.372 -8.369 1.00 54.42 H new ATOM 0 HE ARG A 64 26.933 5.971 -8.580 1.00 73.33 H new ATOM 0 HH11 ARG A 64 28.049 3.592 -6.223 1.00 74.04 H new ATOM 0 HH12 ARG A 64 28.399 4.808 -4.989 1.00 74.04 H new ATOM 0 HH21 ARG A 64 27.383 7.526 -6.991 1.00 24.02 H new ATOM 0 HH22 ARG A 64 28.023 7.026 -5.422 1.00 24.02 H new ATOM 973 N ASP A 65 26.834 0.422 -11.873 1.00 62.12 N ATOM 974 CA ASP A 65 27.959 -0.383 -12.335 1.00 71.23 C ATOM 975 C ASP A 65 27.993 -0.444 -13.859 1.00 65.52 C ATOM 976 O ASP A 65 29.051 -0.300 -14.471 1.00 50.43 O ATOM 977 CB ASP A 65 27.873 -1.797 -11.758 1.00 3.25 C ATOM 978 CG ASP A 65 28.116 -1.826 -10.261 1.00 62.34 C ATOM 979 OD1 ASP A 65 29.222 -1.436 -9.832 1.00 51.14 O ATOM 980 OD2 ASP A 65 27.201 -2.241 -9.519 1.00 52.34 O ATOM 0 H ASP A 65 26.177 -0.077 -11.273 1.00 62.12 H new ATOM 0 HA ASP A 65 28.878 0.088 -11.987 1.00 71.23 H new ATOM 0 HB2 ASP A 65 26.889 -2.215 -11.972 1.00 3.25 H new ATOM 0 HB3 ASP A 65 28.605 -2.434 -12.255 1.00 3.25 H new ATOM 985 N GLU A 66 26.830 -0.661 -14.464 1.00 72.04 N ATOM 986 CA GLU A 66 26.728 -0.743 -15.917 1.00 24.43 C ATOM 987 C GLU A 66 27.205 0.551 -16.570 1.00 13.15 C ATOM 988 O GLU A 66 28.002 0.529 -17.508 1.00 72.41 O ATOM 989 CB GLU A 66 25.286 -1.037 -16.334 1.00 12.04 C ATOM 990 CG GLU A 66 24.714 -2.295 -15.703 1.00 30.43 C ATOM 991 CD GLU A 66 23.237 -2.169 -15.385 1.00 33.13 C ATOM 992 OE1 GLU A 66 22.533 -1.440 -16.114 1.00 15.24 O ATOM 993 OE2 GLU A 66 22.785 -2.801 -14.406 1.00 41.53 O ATOM 0 H GLU A 66 25.945 -0.783 -13.971 1.00 72.04 H new ATOM 0 HA GLU A 66 27.369 -1.557 -16.255 1.00 24.43 H new ATOM 0 HB2 GLU A 66 24.658 -0.188 -16.064 1.00 12.04 H new ATOM 0 HB3 GLU A 66 25.243 -1.133 -17.419 1.00 12.04 H new ATOM 0 HG2 GLU A 66 24.866 -3.137 -16.378 1.00 30.43 H new ATOM 0 HG3 GLU A 66 25.261 -2.519 -14.787 1.00 30.43 H new ATOM 1000 N CYS A 67 26.710 1.677 -16.067 1.00 24.23 N ATOM 1001 CA CYS A 67 27.084 2.982 -16.601 1.00 73.42 C ATOM 1002 C CYS A 67 28.592 3.193 -16.516 1.00 13.03 C ATOM 1003 O CYS A 67 29.207 3.723 -17.441 1.00 33.23 O ATOM 1004 CB CYS A 67 26.357 4.093 -15.843 1.00 52.41 C ATOM 1005 SG CYS A 67 24.572 4.135 -16.126 1.00 75.33 S ATOM 0 H CYS A 67 26.049 1.712 -15.291 1.00 24.23 H new ATOM 0 HA CYS A 67 26.790 3.016 -17.650 1.00 73.42 H new ATOM 0 HB2 CYS A 67 26.542 3.971 -14.776 1.00 52.41 H new ATOM 0 HB3 CYS A 67 26.782 5.054 -16.132 1.00 52.41 H new ATOM 0 HG CYS A 67 24.182 2.992 -16.607 1.00 75.33 H new ATOM 1011 N GLN A 68 29.180 2.777 -15.399 1.00 30.41 N ATOM 1012 CA GLN A 68 30.616 2.923 -15.192 1.00 71.02 C ATOM 1013 C GLN A 68 31.393 1.928 -16.048 1.00 22.14 C ATOM 1014 O GLN A 68 32.569 2.135 -16.344 1.00 5.42 O ATOM 1015 CB GLN A 68 30.963 2.724 -13.716 1.00 12.43 C ATOM 1016 CG GLN A 68 30.385 3.796 -12.806 1.00 3.34 C ATOM 1017 CD GLN A 68 30.041 3.268 -11.427 1.00 3.01 C ATOM 1018 OE1 GLN A 68 29.730 2.088 -11.261 1.00 54.34 O ATOM 1019 NE2 GLN A 68 30.096 4.141 -10.428 1.00 22.35 N ATOM 0 H GLN A 68 28.685 2.336 -14.624 1.00 30.41 H new ATOM 0 HA GLN A 68 30.900 3.932 -15.491 1.00 71.02 H new ATOM 0 HB2 GLN A 68 30.597 1.749 -13.393 1.00 12.43 H new ATOM 0 HB3 GLN A 68 32.047 2.710 -13.605 1.00 12.43 H new ATOM 0 HG2 GLN A 68 31.102 4.611 -12.710 1.00 3.34 H new ATOM 0 HG3 GLN A 68 29.489 4.212 -13.265 1.00 3.34 H new ATOM 0 HE21 GLN A 68 30.359 5.109 -10.611 1.00 22.35 H new ATOM 0 HE22 GLN A 68 29.876 3.843 -9.478 1.00 22.35 H new ATOM 1028 N ALA A 69 30.728 0.847 -16.441 1.00 72.11 N ATOM 1029 CA ALA A 69 31.356 -0.179 -17.264 1.00 32.42 C ATOM 1030 C ALA A 69 31.193 0.131 -18.748 1.00 5.31 C ATOM 1031 O ALA A 69 31.722 -0.581 -19.602 1.00 55.45 O ATOM 1032 CB ALA A 69 30.770 -1.546 -16.941 1.00 53.05 C ATOM 0 H ALA A 69 29.754 0.659 -16.203 1.00 72.11 H new ATOM 0 HA ALA A 69 32.422 -0.189 -17.037 1.00 32.42 H new ATOM 0 HB1 ALA A 69 31.248 -2.303 -17.563 1.00 53.05 H new ATOM 0 HB2 ALA A 69 30.944 -1.777 -15.890 1.00 53.05 H new ATOM 0 HB3 ALA A 69 29.698 -1.538 -17.138 1.00 53.05 H new ATOM 1038 N TYR A 70 30.460 1.197 -19.047 1.00 52.35 N ATOM 1039 CA TYR A 70 30.225 1.600 -20.429 1.00 43.11 C ATOM 1040 C TYR A 70 31.138 2.758 -20.821 1.00 53.31 C ATOM 1041 O TYR A 70 31.645 2.812 -21.942 1.00 34.13 O ATOM 1042 CB TYR A 70 28.762 2.000 -20.624 1.00 50.24 C ATOM 1043 CG TYR A 70 27.787 0.872 -20.372 1.00 40.42 C ATOM 1044 CD1 TYR A 70 28.138 -0.447 -20.629 1.00 44.15 C ATOM 1045 CD2 TYR A 70 26.514 1.126 -19.875 1.00 43.45 C ATOM 1046 CE1 TYR A 70 27.250 -1.480 -20.401 1.00 65.12 C ATOM 1047 CE2 TYR A 70 25.620 0.099 -19.643 1.00 3.22 C ATOM 1048 CZ TYR A 70 25.993 -1.202 -19.908 1.00 32.23 C ATOM 1049 OH TYR A 70 25.106 -2.229 -19.678 1.00 11.24 O ATOM 0 H TYR A 70 30.018 1.798 -18.351 1.00 52.35 H new ATOM 0 HA TYR A 70 30.450 0.750 -21.072 1.00 43.11 H new ATOM 0 HB2 TYR A 70 28.528 2.828 -19.954 1.00 50.24 H new ATOM 0 HB3 TYR A 70 28.627 2.365 -21.642 1.00 50.24 H new ATOM 0 HD1 TYR A 70 29.122 -0.669 -21.014 1.00 44.15 H new ATOM 0 HD2 TYR A 70 26.219 2.144 -19.667 1.00 43.45 H new ATOM 0 HE1 TYR A 70 27.539 -2.500 -20.608 1.00 65.12 H new ATOM 0 HE2 TYR A 70 24.635 0.314 -19.256 1.00 3.22 H new ATOM 0 HH TYR A 70 24.266 -1.864 -19.330 1.00 11.24 H new ATOM 1059 N ARG A 71 31.342 3.683 -19.889 1.00 42.41 N ATOM 1060 CA ARG A 71 32.193 4.842 -20.136 1.00 33.41 C ATOM 1061 C ARG A 71 33.441 4.796 -19.260 1.00 22.12 C ATOM 1062 O ARG A 71 34.520 5.220 -19.676 1.00 20.05 O ATOM 1063 CB ARG A 71 31.419 6.135 -19.873 1.00 32.45 C ATOM 1064 CG ARG A 71 32.250 7.392 -20.067 1.00 1.23 C ATOM 1065 CD ARG A 71 31.429 8.513 -20.684 1.00 14.22 C ATOM 1066 NE ARG A 71 31.932 8.901 -21.999 1.00 5.14 N ATOM 1067 CZ ARG A 71 33.053 9.590 -22.182 1.00 64.21 C ATOM 1068 NH1 ARG A 71 33.784 9.964 -21.141 1.00 14.04 N ATOM 1069 NH2 ARG A 71 33.446 9.905 -23.410 1.00 4.03 N ATOM 0 H ARG A 71 30.930 3.653 -18.956 1.00 42.41 H new ATOM 0 HA ARG A 71 32.502 4.818 -21.181 1.00 33.41 H new ATOM 0 HB2 ARG A 71 30.556 6.174 -20.538 1.00 32.45 H new ATOM 0 HB3 ARG A 71 31.035 6.117 -18.853 1.00 32.45 H new ATOM 0 HG2 ARG A 71 32.649 7.718 -19.106 1.00 1.23 H new ATOM 0 HG3 ARG A 71 33.104 7.170 -20.707 1.00 1.23 H new ATOM 0 HD2 ARG A 71 30.390 8.195 -20.773 1.00 14.22 H new ATOM 0 HD3 ARG A 71 31.442 9.378 -20.021 1.00 14.22 H new ATOM 0 HE ARG A 71 31.394 8.628 -22.821 1.00 5.14 H new ATOM 0 HH11 ARG A 71 33.486 9.723 -20.196 1.00 14.04 H new ATOM 0 HH12 ARG A 71 34.644 10.493 -21.285 1.00 14.04 H new ATOM 0 HH21 ARG A 71 32.887 9.618 -24.214 1.00 4.03 H new ATOM 0 HH22 ARG A 71 34.307 10.434 -23.550 1.00 4.03 H new