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 105:sc= 0.682 USER MOD Set 1.2: A 67 CYS SG : rot 75:sc= 1.05 USER MOD Single : A 3 SER OG : rot 5:sc= 0.779 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0538 X(o=-0.054,f=-0.003) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 72:sc= 0.978 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0409 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= -1.02 K(o=-1,f=-4.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.3) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 4.261 4.414 -2.654 1.00 64.22 N ATOM 26 CA SER A 3 5.509 5.120 -2.920 1.00 63.12 C ATOM 27 C SER A 3 6.452 4.260 -3.756 1.00 44.12 C ATOM 28 O SER A 3 7.182 4.768 -4.608 1.00 2.04 O ATOM 29 CB SER A 3 6.188 5.512 -1.606 1.00 60.04 C ATOM 30 OG SER A 3 5.535 4.918 -0.498 1.00 11.11 O ATOM 0 HA SER A 3 5.274 6.023 -3.483 1.00 63.12 H new ATOM 0 HB2 SER A 3 7.233 5.201 -1.626 1.00 60.04 H new ATOM 0 HB3 SER A 3 6.180 6.597 -1.498 1.00 60.04 H new ATOM 0 HG SER A 3 4.831 4.316 -0.818 1.00 11.11 H new ATOM 36 N TRP A 4 6.431 2.956 -3.507 1.00 21.15 N ATOM 37 CA TRP A 4 7.284 2.024 -4.236 1.00 2.33 C ATOM 38 C TRP A 4 7.000 2.083 -5.732 1.00 40.45 C ATOM 39 O TRP A 4 7.917 2.016 -6.551 1.00 32.44 O ATOM 40 CB TRP A 4 7.076 0.599 -3.720 1.00 55.43 C ATOM 41 CG TRP A 4 7.616 -0.451 -4.643 1.00 31.02 C ATOM 42 CD1 TRP A 4 6.987 -0.991 -5.728 1.00 40.44 C ATOM 43 CD2 TRP A 4 8.895 -1.090 -4.559 1.00 14.41 C ATOM 44 NE1 TRP A 4 7.798 -1.926 -6.324 1.00 72.24 N ATOM 45 CE2 TRP A 4 8.974 -2.005 -5.627 1.00 10.03 C ATOM 46 CE3 TRP A 4 9.981 -0.976 -3.687 1.00 50.24 C ATOM 47 CZ2 TRP A 4 10.096 -2.801 -5.843 1.00 11.42 C ATOM 48 CZ3 TRP A 4 11.094 -1.766 -3.903 1.00 74.40 C ATOM 49 CH2 TRP A 4 11.145 -2.669 -4.974 1.00 12.31 C ATOM 0 H TRP A 4 5.833 2.520 -2.806 1.00 21.15 H new ATOM 0 HA TRP A 4 8.322 2.314 -4.071 1.00 2.33 H new ATOM 0 HB2 TRP A 4 7.556 0.499 -2.747 1.00 55.43 H new ATOM 0 HB3 TRP A 4 6.010 0.427 -3.569 1.00 55.43 H new ATOM 0 HD1 TRP A 4 5.998 -0.723 -6.068 1.00 40.44 H new ATOM 0 HE1 TRP A 4 7.562 -2.473 -7.152 1.00 72.24 H new ATOM 0 HE3 TRP A 4 9.951 -0.283 -2.859 1.00 50.24 H new ATOM 0 HZ2 TRP A 4 10.137 -3.498 -6.667 1.00 11.42 H new ATOM 0 HZ3 TRP A 4 11.939 -1.686 -3.235 1.00 74.40 H new ATOM 0 HH2 TRP A 4 12.029 -3.272 -5.116 1.00 12.31 H new ATOM 60 N ALA A 5 5.725 2.210 -6.084 1.00 14.42 N ATOM 61 CA ALA A 5 5.321 2.281 -7.483 1.00 31.14 C ATOM 62 C ALA A 5 6.121 3.341 -8.232 1.00 61.22 C ATOM 63 O ALA A 5 6.696 3.067 -9.285 1.00 52.43 O ATOM 64 CB ALA A 5 3.831 2.569 -7.588 1.00 13.30 C ATOM 0 H ALA A 5 4.953 2.266 -5.419 1.00 14.42 H new ATOM 0 HA ALA A 5 5.526 1.315 -7.944 1.00 31.14 H new ATOM 0 HB1 ALA A 5 3.543 2.619 -8.638 1.00 13.30 H new ATOM 0 HB2 ALA A 5 3.271 1.774 -7.096 1.00 13.30 H new ATOM 0 HB3 ALA A 5 3.609 3.521 -7.105 1.00 13.30 H new ATOM 70 N GLU A 6 6.153 4.551 -7.682 1.00 71.32 N ATOM 71 CA GLU A 6 6.882 5.651 -8.301 1.00 51.42 C ATOM 72 C GLU A 6 8.350 5.287 -8.501 1.00 42.24 C ATOM 73 O GLU A 6 8.888 5.413 -9.602 1.00 21.23 O ATOM 74 CB GLU A 6 6.771 6.913 -7.442 1.00 74.04 C ATOM 75 CG GLU A 6 5.607 7.811 -7.828 1.00 44.23 C ATOM 76 CD GLU A 6 5.692 9.183 -7.187 1.00 72.21 C ATOM 77 OE1 GLU A 6 5.370 9.298 -5.986 1.00 63.31 O ATOM 78 OE2 GLU A 6 6.080 10.141 -7.887 1.00 40.43 O ATOM 0 H GLU A 6 5.683 4.794 -6.810 1.00 71.32 H new ATOM 0 HA GLU A 6 6.437 5.844 -9.277 1.00 51.42 H new ATOM 0 HB2 GLU A 6 6.664 6.623 -6.397 1.00 74.04 H new ATOM 0 HB3 GLU A 6 7.699 7.480 -7.522 1.00 74.04 H new ATOM 0 HG2 GLU A 6 5.582 7.921 -8.912 1.00 44.23 H new ATOM 0 HG3 GLU A 6 4.672 7.334 -7.534 1.00 44.23 H new ATOM 85 N PHE A 7 8.993 4.836 -7.430 1.00 21.25 N ATOM 86 CA PHE A 7 10.400 4.455 -7.486 1.00 35.52 C ATOM 87 C PHE A 7 10.626 3.364 -8.529 1.00 30.34 C ATOM 88 O PHE A 7 11.621 3.378 -9.253 1.00 41.24 O ATOM 89 CB PHE A 7 10.874 3.971 -6.114 1.00 21.20 C ATOM 90 CG PHE A 7 11.303 5.084 -5.201 1.00 62.24 C ATOM 91 CD1 PHE A 7 12.603 5.564 -5.236 1.00 34.44 C ATOM 92 CD2 PHE A 7 10.407 5.650 -4.309 1.00 23.02 C ATOM 93 CE1 PHE A 7 13.001 6.588 -4.397 1.00 53.04 C ATOM 94 CE2 PHE A 7 10.800 6.675 -3.469 1.00 34.24 C ATOM 95 CZ PHE A 7 12.098 7.144 -3.512 1.00 61.40 C ATOM 0 H PHE A 7 8.563 4.725 -6.512 1.00 21.25 H new ATOM 0 HA PHE A 7 10.978 5.333 -7.773 1.00 35.52 H new ATOM 0 HB2 PHE A 7 10.070 3.411 -5.638 1.00 21.20 H new ATOM 0 HB3 PHE A 7 11.707 3.281 -6.249 1.00 21.20 H new ATOM 0 HD1 PHE A 7 13.313 5.133 -5.927 1.00 34.44 H new ATOM 0 HD2 PHE A 7 9.391 5.287 -4.269 1.00 23.02 H new ATOM 0 HE1 PHE A 7 14.017 6.953 -4.433 1.00 53.04 H new ATOM 0 HE2 PHE A 7 10.092 7.109 -2.779 1.00 34.24 H new ATOM 0 HZ PHE A 7 12.406 7.944 -2.855 1.00 61.40 H new ATOM 105 N LYS A 8 9.696 2.418 -8.598 1.00 35.30 N ATOM 106 CA LYS A 8 9.791 1.319 -9.551 1.00 72.43 C ATOM 107 C LYS A 8 9.714 1.834 -10.985 1.00 24.30 C ATOM 108 O LYS A 8 10.461 1.386 -11.855 1.00 32.31 O ATOM 109 CB LYS A 8 8.674 0.303 -9.303 1.00 33.41 C ATOM 110 CG LYS A 8 8.744 -0.913 -10.211 1.00 52.33 C ATOM 111 CD LYS A 8 8.997 -2.186 -9.421 1.00 43.42 C ATOM 112 CE LYS A 8 9.995 -3.091 -10.127 1.00 42.54 C ATOM 113 NZ LYS A 8 9.464 -4.470 -10.305 1.00 73.21 N ATOM 0 H LYS A 8 8.867 2.390 -8.005 1.00 35.30 H new ATOM 0 HA LYS A 8 10.756 0.831 -9.409 1.00 72.43 H new ATOM 0 HB2 LYS A 8 8.718 -0.026 -8.265 1.00 33.41 H new ATOM 0 HB3 LYS A 8 7.711 0.794 -9.441 1.00 33.41 H new ATOM 0 HG2 LYS A 8 7.811 -1.008 -10.766 1.00 52.33 H new ATOM 0 HG3 LYS A 8 9.538 -0.775 -10.944 1.00 52.33 H new ATOM 0 HD2 LYS A 8 9.373 -1.932 -8.430 1.00 43.42 H new ATOM 0 HD3 LYS A 8 8.057 -2.720 -9.279 1.00 43.42 H new ATOM 0 HE2 LYS A 8 10.242 -2.669 -11.101 1.00 42.54 H new ATOM 0 HE3 LYS A 8 10.920 -3.130 -9.552 1.00 42.54 H new ATOM 0 HZ1 LYS A 8 10.174 -5.055 -10.790 1.00 73.21 H new ATOM 0 HZ2 LYS A 8 9.252 -4.883 -9.374 1.00 73.21 H new ATOM 0 HZ3 LYS A 8 8.595 -4.436 -10.875 1.00 73.21 H new ATOM 127 N GLN A 9 8.809 2.777 -11.222 1.00 42.45 N ATOM 128 CA GLN A 9 8.637 3.353 -12.551 1.00 42.20 C ATOM 129 C GLN A 9 9.914 4.048 -13.013 1.00 21.42 C ATOM 130 O GLN A 9 10.477 3.706 -14.053 1.00 75.13 O ATOM 131 CB GLN A 9 7.473 4.346 -12.553 1.00 24.11 C ATOM 132 CG GLN A 9 6.422 4.049 -13.610 1.00 62.02 C ATOM 133 CD GLN A 9 5.065 3.734 -13.012 1.00 3.31 C ATOM 134 OE1 GLN A 9 4.051 4.308 -13.409 1.00 73.35 O ATOM 135 NE2 GLN A 9 5.040 2.819 -12.050 1.00 71.24 N ATOM 0 H GLN A 9 8.184 3.159 -10.512 1.00 42.45 H new ATOM 0 HA GLN A 9 8.415 2.542 -13.245 1.00 42.20 H new ATOM 0 HB2 GLN A 9 7.000 4.341 -11.571 1.00 24.11 H new ATOM 0 HB3 GLN A 9 7.864 5.351 -12.713 1.00 24.11 H new ATOM 0 HG2 GLN A 9 6.331 4.906 -14.277 1.00 62.02 H new ATOM 0 HG3 GLN A 9 6.751 3.206 -14.218 1.00 62.02 H new ATOM 0 HE21 GLN A 9 5.905 2.368 -11.752 1.00 71.24 H new ATOM 0 HE22 GLN A 9 4.156 2.567 -11.609 1.00 71.24 H new ATOM 144 N ARG A 10 10.366 5.024 -12.233 1.00 1.13 N ATOM 145 CA ARG A 10 11.576 5.768 -12.563 1.00 31.32 C ATOM 146 C ARG A 10 12.752 4.821 -12.784 1.00 3.41 C ATOM 147 O ARG A 10 13.499 4.958 -13.754 1.00 1.11 O ATOM 148 CB ARG A 10 11.909 6.761 -11.449 1.00 3.45 C ATOM 149 CG ARG A 10 11.092 8.042 -11.510 1.00 22.44 C ATOM 150 CD ARG A 10 9.693 7.836 -10.951 1.00 54.45 C ATOM 151 NE ARG A 10 8.899 9.061 -11.000 1.00 52.34 N ATOM 152 CZ ARG A 10 9.086 10.092 -10.183 1.00 65.33 C ATOM 153 NH1 ARG A 10 10.036 10.045 -9.259 1.00 44.15 N ATOM 154 NH2 ARG A 10 8.323 11.172 -10.290 1.00 23.02 N ATOM 0 H ARG A 10 9.913 5.318 -11.368 1.00 1.13 H new ATOM 0 HA ARG A 10 11.395 6.317 -13.487 1.00 31.32 H new ATOM 0 HB2 ARG A 10 11.744 6.281 -10.485 1.00 3.45 H new ATOM 0 HB3 ARG A 10 12.968 7.013 -11.503 1.00 3.45 H new ATOM 0 HG2 ARG A 10 11.599 8.825 -10.946 1.00 22.44 H new ATOM 0 HG3 ARG A 10 11.026 8.384 -12.543 1.00 22.44 H new ATOM 0 HD2 ARG A 10 9.188 7.054 -11.517 1.00 54.45 H new ATOM 0 HD3 ARG A 10 9.762 7.489 -9.920 1.00 54.45 H new ATOM 0 HE ARG A 10 8.160 9.129 -11.700 1.00 52.34 H new ATOM 0 HH11 ARG A 10 10.625 9.216 -9.175 1.00 44.15 H new ATOM 0 HH12 ARG A 10 10.178 10.838 -8.633 1.00 44.15 H new ATOM 0 HH21 ARG A 10 7.592 11.212 -11.000 1.00 23.02 H new ATOM 0 HH22 ARG A 10 8.468 11.963 -9.662 1.00 23.02 H new ATOM 168 N LEU A 11 12.912 3.863 -11.878 1.00 72.34 N ATOM 169 CA LEU A 11 13.998 2.893 -11.974 1.00 12.34 C ATOM 170 C LEU A 11 13.884 2.072 -13.254 1.00 43.41 C ATOM 171 O LEU A 11 14.888 1.758 -13.893 1.00 1.32 O ATOM 172 CB LEU A 11 13.988 1.966 -10.757 1.00 61.12 C ATOM 173 CG LEU A 11 14.920 2.355 -9.609 1.00 63.21 C ATOM 174 CD1 LEU A 11 14.703 3.807 -9.214 1.00 44.31 C ATOM 175 CD2 LEU A 11 14.706 1.437 -8.414 1.00 41.41 C ATOM 0 H LEU A 11 12.304 3.737 -11.069 1.00 72.34 H new ATOM 0 HA LEU A 11 14.940 3.440 -11.999 1.00 12.34 H new ATOM 0 HB2 LEU A 11 12.970 1.917 -10.371 1.00 61.12 H new ATOM 0 HB3 LEU A 11 14.252 0.962 -11.088 1.00 61.12 H new ATOM 0 HG LEU A 11 15.950 2.243 -9.948 1.00 63.21 H new ATOM 0 HD11 LEU A 11 15.375 4.066 -8.396 1.00 44.31 H new ATOM 0 HD12 LEU A 11 14.908 4.451 -10.069 1.00 44.31 H new ATOM 0 HD13 LEU A 11 13.671 3.947 -8.894 1.00 44.31 H new ATOM 0 HD21 LEU A 11 15.378 1.728 -7.606 1.00 41.41 H new ATOM 0 HD22 LEU A 11 13.673 1.517 -8.074 1.00 41.41 H new ATOM 0 HD23 LEU A 11 14.913 0.407 -8.705 1.00 41.41 H new ATOM 187 N ALA A 12 12.655 1.730 -13.624 1.00 54.03 N ATOM 188 CA ALA A 12 12.409 0.950 -14.831 1.00 25.43 C ATOM 189 C ALA A 12 12.867 1.704 -16.075 1.00 34.23 C ATOM 190 O ALA A 12 13.533 1.141 -16.943 1.00 51.41 O ATOM 191 CB ALA A 12 10.934 0.595 -14.939 1.00 31.41 C ATOM 0 H ALA A 12 11.813 1.981 -13.105 1.00 54.03 H new ATOM 0 HA ALA A 12 12.988 0.029 -14.763 1.00 25.43 H new ATOM 0 HB1 ALA A 12 10.765 0.013 -15.845 1.00 31.41 H new ATOM 0 HB2 ALA A 12 10.636 0.008 -14.070 1.00 31.41 H new ATOM 0 HB3 ALA A 12 10.342 1.509 -14.980 1.00 31.41 H new ATOM 197 N ALA A 13 12.504 2.980 -16.154 1.00 75.23 N ATOM 198 CA ALA A 13 12.878 3.811 -17.292 1.00 12.03 C ATOM 199 C ALA A 13 14.391 3.978 -17.375 1.00 2.41 C ATOM 200 O ALA A 13 14.973 3.915 -18.458 1.00 63.21 O ATOM 201 CB ALA A 13 12.199 5.169 -17.199 1.00 11.54 C ATOM 0 H ALA A 13 11.952 3.461 -15.444 1.00 75.23 H new ATOM 0 HA ALA A 13 12.544 3.312 -18.201 1.00 12.03 H new ATOM 0 HB1 ALA A 13 12.487 5.779 -18.055 1.00 11.54 H new ATOM 0 HB2 ALA A 13 11.117 5.035 -17.196 1.00 11.54 H new ATOM 0 HB3 ALA A 13 12.505 5.667 -16.279 1.00 11.54 H new ATOM 207 N ILE A 14 15.022 4.193 -16.225 1.00 41.24 N ATOM 208 CA ILE A 14 16.468 4.369 -16.169 1.00 51.34 C ATOM 209 C ILE A 14 17.194 3.096 -16.590 1.00 35.43 C ATOM 210 O ILE A 14 18.221 3.147 -17.267 1.00 14.33 O ATOM 211 CB ILE A 14 16.932 4.769 -14.756 1.00 61.42 C ATOM 212 CG1 ILE A 14 16.331 6.119 -14.361 1.00 43.10 C ATOM 213 CG2 ILE A 14 18.451 4.820 -14.692 1.00 63.54 C ATOM 214 CD1 ILE A 14 16.156 6.289 -12.868 1.00 72.32 C ATOM 0 H ILE A 14 14.555 4.249 -15.320 1.00 41.24 H new ATOM 0 HA ILE A 14 16.715 5.171 -16.864 1.00 51.34 H new ATOM 0 HB ILE A 14 16.583 4.017 -14.049 1.00 61.42 H new ATOM 0 HG12 ILE A 14 16.972 6.917 -14.737 1.00 43.10 H new ATOM 0 HG13 ILE A 14 15.362 6.233 -14.847 1.00 43.10 H new ATOM 0 HG21 ILE A 14 18.763 5.104 -13.687 1.00 63.54 H new ATOM 0 HG22 ILE A 14 18.859 3.839 -14.935 1.00 63.54 H new ATOM 0 HG23 ILE A 14 18.821 5.554 -15.408 1.00 63.54 H new ATOM 0 HD11 ILE A 14 15.725 7.269 -12.661 1.00 72.32 H new ATOM 0 HD12 ILE A 14 15.491 5.513 -12.489 1.00 72.32 H new ATOM 0 HD13 ILE A 14 17.125 6.208 -12.376 1.00 72.32 H new ATOM 226 N LYS A 15 16.652 1.952 -16.185 1.00 73.24 N ATOM 227 CA LYS A 15 17.244 0.663 -16.522 1.00 24.22 C ATOM 228 C LYS A 15 17.136 0.388 -18.018 1.00 45.34 C ATOM 229 O LYS A 15 18.086 -0.084 -18.644 1.00 62.11 O ATOM 230 CB LYS A 15 16.559 -0.458 -15.736 1.00 51.53 C ATOM 231 CG LYS A 15 17.514 -1.276 -14.885 1.00 1.22 C ATOM 232 CD LYS A 15 17.024 -2.704 -14.713 1.00 1.23 C ATOM 233 CE LYS A 15 18.183 -3.674 -14.540 1.00 51.30 C ATOM 234 NZ LYS A 15 18.364 -4.074 -13.117 1.00 42.41 N ATOM 0 H LYS A 15 15.803 1.892 -15.623 1.00 73.24 H new ATOM 0 HA LYS A 15 18.300 0.695 -16.252 1.00 24.22 H new ATOM 0 HB2 LYS A 15 15.794 -0.024 -15.093 1.00 51.53 H new ATOM 0 HB3 LYS A 15 16.049 -1.121 -16.435 1.00 51.53 H new ATOM 0 HG2 LYS A 15 18.501 -1.282 -15.348 1.00 1.22 H new ATOM 0 HG3 LYS A 15 17.624 -0.808 -13.907 1.00 1.22 H new ATOM 0 HD2 LYS A 15 16.367 -2.762 -13.845 1.00 1.23 H new ATOM 0 HD3 LYS A 15 16.432 -2.994 -15.581 1.00 1.23 H new ATOM 0 HE2 LYS A 15 18.007 -4.562 -15.147 1.00 51.30 H new ATOM 0 HE3 LYS A 15 19.100 -3.213 -14.907 1.00 51.30 H new ATOM 0 HZ1 LYS A 15 19.163 -4.735 -13.041 1.00 42.41 H new ATOM 0 HZ2 LYS A 15 18.557 -3.230 -12.541 1.00 42.41 H new ATOM 0 HZ3 LYS A 15 17.498 -4.537 -12.774 1.00 42.41 H new ATOM 248 N THR A 16 15.973 0.689 -18.588 1.00 65.33 N ATOM 249 CA THR A 16 15.742 0.475 -20.011 1.00 72.32 C ATOM 250 C THR A 16 16.688 1.320 -20.856 1.00 25.14 C ATOM 251 O THR A 16 17.387 0.803 -21.728 1.00 35.10 O ATOM 252 CB THR A 16 14.289 0.808 -20.400 1.00 60.21 C ATOM 253 OG1 THR A 16 13.380 0.085 -19.563 1.00 13.25 O ATOM 254 CG2 THR A 16 14.027 0.463 -21.858 1.00 74.23 C ATOM 0 H THR A 16 15.177 1.082 -18.086 1.00 65.33 H new ATOM 0 HA THR A 16 15.931 -0.581 -20.206 1.00 72.32 H new ATOM 0 HB THR A 16 14.135 1.878 -20.263 1.00 60.21 H new ATOM 0 HG1 THR A 16 13.388 0.470 -18.662 1.00 13.25 H new ATOM 0 HG21 THR A 16 12.995 0.707 -22.110 1.00 74.23 H new ATOM 0 HG22 THR A 16 14.701 1.037 -22.494 1.00 74.23 H new ATOM 0 HG23 THR A 16 14.197 -0.602 -22.016 1.00 74.23 H new ATOM 262 N ARG A 17 16.708 2.622 -20.590 1.00 53.15 N ATOM 263 CA ARG A 17 17.569 3.539 -21.327 1.00 41.11 C ATOM 264 C ARG A 17 19.041 3.219 -21.081 1.00 34.11 C ATOM 265 O ARG A 17 19.882 3.405 -21.961 1.00 3.44 O ATOM 266 CB ARG A 17 17.276 4.985 -20.922 1.00 30.34 C ATOM 267 CG ARG A 17 16.336 5.706 -21.874 1.00 62.21 C ATOM 268 CD ARG A 17 14.929 5.134 -21.807 1.00 73.12 C ATOM 269 NE ARG A 17 13.927 6.090 -22.271 1.00 71.13 N ATOM 270 CZ ARG A 17 12.625 5.960 -22.041 1.00 60.15 C ATOM 271 NH1 ARG A 17 12.170 4.920 -21.357 1.00 30.32 N ATOM 272 NH2 ARG A 17 11.775 6.872 -22.497 1.00 24.14 N ATOM 0 H ARG A 17 16.138 3.065 -19.870 1.00 53.15 H new ATOM 0 HA ARG A 17 17.361 3.417 -22.390 1.00 41.11 H new ATOM 0 HB2 ARG A 17 16.843 4.992 -19.922 1.00 30.34 H new ATOM 0 HB3 ARG A 17 18.215 5.535 -20.866 1.00 30.34 H new ATOM 0 HG2 ARG A 17 16.311 6.767 -21.628 1.00 62.21 H new ATOM 0 HG3 ARG A 17 16.715 5.624 -22.893 1.00 62.21 H new ATOM 0 HD2 ARG A 17 14.876 4.230 -22.414 1.00 73.12 H new ATOM 0 HD3 ARG A 17 14.704 4.843 -20.781 1.00 73.12 H new ATOM 0 HE ARG A 17 14.244 6.902 -22.801 1.00 71.13 H new ATOM 0 HH11 ARG A 17 12.820 4.217 -21.006 1.00 30.32 H new ATOM 0 HH12 ARG A 17 11.170 4.823 -21.182 1.00 30.32 H new ATOM 0 HH21 ARG A 17 12.121 7.673 -23.024 1.00 24.14 H new ATOM 0 HH22 ARG A 17 10.776 6.771 -22.320 1.00 24.14 H new ATOM 286 N CYS A 18 19.343 2.737 -19.881 1.00 11.25 N ATOM 287 CA CYS A 18 20.713 2.392 -19.518 1.00 1.30 C ATOM 288 C CYS A 18 21.176 1.146 -20.265 1.00 33.42 C ATOM 289 O CYS A 18 22.341 1.036 -20.646 1.00 54.24 O ATOM 290 CB CYS A 18 20.822 2.168 -18.009 1.00 62.41 C ATOM 291 SG CYS A 18 22.339 1.329 -17.496 1.00 24.15 S ATOM 0 H CYS A 18 18.658 2.576 -19.143 1.00 11.25 H new ATOM 0 HA CYS A 18 21.358 3.223 -19.801 1.00 1.30 H new ATOM 0 HB2 CYS A 18 20.764 3.132 -17.504 1.00 62.41 H new ATOM 0 HB3 CYS A 18 19.965 1.582 -17.676 1.00 62.41 H new ATOM 0 HG CYS A 18 23.154 2.192 -16.965 1.00 24.15 H new ATOM 297 N GLN A 19 20.256 0.208 -20.468 1.00 14.30 N ATOM 298 CA GLN A 19 20.571 -1.032 -21.167 1.00 54.11 C ATOM 299 C GLN A 19 20.744 -0.785 -22.662 1.00 72.21 C ATOM 300 O GLN A 19 21.655 -1.325 -23.289 1.00 31.23 O ATOM 301 CB GLN A 19 19.470 -2.068 -20.933 1.00 55.32 C ATOM 302 CG GLN A 19 19.348 -2.510 -19.484 1.00 0.11 C ATOM 303 CD GLN A 19 19.978 -3.866 -19.233 1.00 13.23 C ATOM 304 OE1 GLN A 19 21.174 -4.058 -19.454 1.00 33.34 O ATOM 305 NE2 GLN A 19 19.174 -4.815 -18.768 1.00 71.20 N ATOM 0 H GLN A 19 19.287 0.283 -20.158 1.00 14.30 H new ATOM 0 HA GLN A 19 21.511 -1.415 -20.769 1.00 54.11 H new ATOM 0 HB2 GLN A 19 18.516 -1.652 -21.259 1.00 55.32 H new ATOM 0 HB3 GLN A 19 19.666 -2.941 -21.555 1.00 55.32 H new ATOM 0 HG2 GLN A 19 19.822 -1.769 -18.841 1.00 0.11 H new ATOM 0 HG3 GLN A 19 18.295 -2.546 -19.206 1.00 0.11 H new ATOM 0 HE21 GLN A 19 18.189 -4.611 -18.599 1.00 71.20 H new ATOM 0 HE22 GLN A 19 19.542 -5.748 -18.579 1.00 71.20 H new ATOM 314 N ALA A 20 19.863 0.034 -23.228 1.00 31.34 N ATOM 315 CA ALA A 20 19.920 0.353 -24.649 1.00 13.13 C ATOM 316 C ALA A 20 21.025 1.363 -24.941 1.00 33.52 C ATOM 317 O ALA A 20 21.609 1.362 -26.025 1.00 50.52 O ATOM 318 CB ALA A 20 18.576 0.886 -25.124 1.00 1.12 C ATOM 0 H ALA A 20 19.102 0.488 -22.724 1.00 31.34 H new ATOM 0 HA ALA A 20 20.148 -0.563 -25.193 1.00 13.13 H new ATOM 0 HB1 ALA A 20 18.633 1.120 -26.187 1.00 1.12 H new ATOM 0 HB2 ALA A 20 17.807 0.132 -24.959 1.00 1.12 H new ATOM 0 HB3 ALA A 20 18.325 1.788 -24.566 1.00 1.12 H new ATOM 324 N LEU A 21 21.306 2.222 -23.968 1.00 44.10 N ATOM 325 CA LEU A 21 22.342 3.238 -24.121 1.00 52.31 C ATOM 326 C LEU A 21 22.137 4.035 -25.406 1.00 2.04 C ATOM 327 O LEU A 21 23.092 4.541 -25.993 1.00 64.44 O ATOM 328 CB LEU A 21 23.726 2.587 -24.126 1.00 41.41 C ATOM 329 CG LEU A 21 24.228 2.067 -22.779 1.00 31.31 C ATOM 330 CD1 LEU A 21 24.243 0.546 -22.766 1.00 51.13 C ATOM 331 CD2 LEU A 21 25.614 2.618 -22.477 1.00 14.14 C ATOM 0 H LEU A 21 20.832 2.236 -23.065 1.00 44.10 H new ATOM 0 HA LEU A 21 22.273 3.923 -23.276 1.00 52.31 H new ATOM 0 HB2 LEU A 21 23.712 1.756 -24.831 1.00 41.41 H new ATOM 0 HB3 LEU A 21 24.446 3.313 -24.504 1.00 41.41 H new ATOM 0 HG LEU A 21 23.545 2.410 -22.002 1.00 31.31 H new ATOM 0 HD11 LEU A 21 24.603 0.194 -21.799 1.00 51.13 H new ATOM 0 HD12 LEU A 21 23.234 0.171 -22.936 1.00 51.13 H new ATOM 0 HD13 LEU A 21 24.903 0.182 -23.554 1.00 51.13 H new ATOM 0 HD21 LEU A 21 25.955 2.237 -21.514 1.00 14.14 H new ATOM 0 HD22 LEU A 21 26.308 2.305 -23.257 1.00 14.14 H new ATOM 0 HD23 LEU A 21 25.573 3.707 -22.443 1.00 14.14 H new ATOM 343 N GLY A 22 20.884 4.144 -25.835 1.00 15.50 N ATOM 344 CA GLY A 22 20.576 4.883 -27.046 1.00 31.22 C ATOM 345 C GLY A 22 20.074 6.284 -26.759 1.00 34.12 C ATOM 346 O GLY A 22 19.484 6.929 -27.624 1.00 74.14 O ATOM 0 H GLY A 22 20.076 3.734 -25.366 1.00 15.50 H new ATOM 0 HA2 GLY A 22 21.468 4.941 -27.669 1.00 31.22 H new ATOM 0 HA3 GLY A 22 19.823 4.340 -27.617 1.00 31.22 H new ATOM 393 N GLU A 27 24.150 11.644 -21.565 1.00 15.21 N ATOM 394 CA GLU A 27 22.994 11.280 -20.753 1.00 40.14 C ATOM 395 C GLU A 27 23.362 10.205 -19.735 1.00 13.14 C ATOM 396 O GLU A 27 22.820 10.171 -18.629 1.00 10.50 O ATOM 397 CB GLU A 27 21.853 10.785 -21.644 1.00 72.13 C ATOM 398 CG GLU A 27 20.820 11.853 -21.960 1.00 52.53 C ATOM 399 CD GLU A 27 19.974 12.221 -20.757 1.00 35.32 C ATOM 400 OE1 GLU A 27 19.334 11.314 -20.183 1.00 51.23 O ATOM 401 OE2 GLU A 27 19.950 13.414 -20.389 1.00 24.32 O ATOM 0 HA GLU A 27 22.665 12.169 -20.215 1.00 40.14 H new ATOM 0 HB2 GLU A 27 22.270 10.407 -22.578 1.00 72.13 H new ATOM 0 HB3 GLU A 27 21.358 9.947 -21.154 1.00 72.13 H new ATOM 0 HG2 GLU A 27 21.326 12.745 -22.330 1.00 52.53 H new ATOM 0 HG3 GLU A 27 20.171 11.500 -22.761 1.00 52.53 H new ATOM 408 N CYS A 28 24.284 9.329 -20.115 1.00 64.33 N ATOM 409 CA CYS A 28 24.724 8.251 -19.236 1.00 62.02 C ATOM 410 C CYS A 28 25.128 8.795 -17.870 1.00 21.44 C ATOM 411 O CYS A 28 24.762 8.236 -16.836 1.00 4.53 O ATOM 412 CB CYS A 28 25.897 7.498 -19.866 1.00 33.42 C ATOM 413 SG CYS A 28 25.588 6.931 -21.555 1.00 24.21 S ATOM 0 H CYS A 28 24.742 9.343 -21.026 1.00 64.33 H new ATOM 0 HA CYS A 28 23.890 7.562 -19.101 1.00 62.02 H new ATOM 0 HB2 CYS A 28 26.773 8.147 -19.866 1.00 33.42 H new ATOM 0 HB3 CYS A 28 26.138 6.637 -19.243 1.00 33.42 H new ATOM 0 HG CYS A 28 26.638 6.308 -22.002 1.00 24.21 H new ATOM 419 N ALA A 29 25.886 9.886 -17.873 1.00 41.34 N ATOM 420 CA ALA A 29 26.340 10.506 -16.634 1.00 73.43 C ATOM 421 C ALA A 29 25.164 10.822 -15.716 1.00 50.23 C ATOM 422 O ALA A 29 25.137 10.403 -14.559 1.00 43.55 O ATOM 423 CB ALA A 29 27.132 11.769 -16.935 1.00 42.11 C ATOM 0 H ALA A 29 26.199 10.359 -18.720 1.00 41.34 H new ATOM 0 HA ALA A 29 26.989 9.798 -16.119 1.00 73.43 H new ATOM 0 HB1 ALA A 29 27.465 12.221 -16.001 1.00 42.11 H new ATOM 0 HB2 ALA A 29 27.999 11.518 -17.545 1.00 42.11 H new ATOM 0 HB3 ALA A 29 26.500 12.474 -17.475 1.00 42.11 H new ATOM 429 N ALA A 30 24.194 11.565 -16.240 1.00 32.43 N ATOM 430 CA ALA A 30 23.015 11.936 -15.467 1.00 51.02 C ATOM 431 C ALA A 30 22.314 10.703 -14.907 1.00 63.34 C ATOM 432 O ALA A 30 21.773 10.732 -13.802 1.00 51.00 O ATOM 433 CB ALA A 30 22.055 12.746 -16.326 1.00 1.42 C ATOM 0 H ALA A 30 24.202 11.921 -17.196 1.00 32.43 H new ATOM 0 HA ALA A 30 23.341 12.549 -14.627 1.00 51.02 H new ATOM 0 HB1 ALA A 30 21.179 13.016 -15.736 1.00 1.42 H new ATOM 0 HB2 ALA A 30 22.553 13.652 -16.673 1.00 1.42 H new ATOM 0 HB3 ALA A 30 21.745 12.151 -17.185 1.00 1.42 H new ATOM 439 N PHE A 31 22.328 9.620 -15.677 1.00 73.34 N ATOM 440 CA PHE A 31 21.692 8.376 -15.259 1.00 31.03 C ATOM 441 C PHE A 31 22.368 7.812 -14.013 1.00 3.04 C ATOM 442 O PHE A 31 21.704 7.467 -13.036 1.00 50.10 O ATOM 443 CB PHE A 31 21.742 7.347 -16.390 1.00 32.21 C ATOM 444 CG PHE A 31 20.450 7.224 -17.146 1.00 32.22 C ATOM 445 CD1 PHE A 31 19.670 8.341 -17.398 1.00 45.33 C ATOM 446 CD2 PHE A 31 20.015 5.991 -17.604 1.00 72.14 C ATOM 447 CE1 PHE A 31 18.481 8.231 -18.093 1.00 32.41 C ATOM 448 CE2 PHE A 31 18.826 5.874 -18.300 1.00 41.01 C ATOM 449 CZ PHE A 31 18.059 6.996 -18.545 1.00 73.35 C ATOM 0 H PHE A 31 22.773 9.579 -16.594 1.00 73.34 H new ATOM 0 HA PHE A 31 20.651 8.592 -15.020 1.00 31.03 H new ATOM 0 HB2 PHE A 31 22.536 7.621 -17.085 1.00 32.21 H new ATOM 0 HB3 PHE A 31 22.004 6.374 -15.974 1.00 32.21 H new ATOM 0 HD1 PHE A 31 19.995 9.309 -17.047 1.00 45.33 H new ATOM 0 HD2 PHE A 31 20.612 5.111 -17.415 1.00 72.14 H new ATOM 0 HE1 PHE A 31 17.882 9.110 -18.283 1.00 32.41 H new ATOM 0 HE2 PHE A 31 18.498 4.907 -18.651 1.00 41.01 H new ATOM 0 HZ PHE A 31 17.130 6.908 -19.089 1.00 73.35 H new ATOM 459 N GLU A 32 23.694 7.721 -14.056 1.00 11.21 N ATOM 460 CA GLU A 32 24.460 7.198 -12.931 1.00 62.21 C ATOM 461 C GLU A 32 24.175 7.994 -11.661 1.00 44.50 C ATOM 462 O GLU A 32 23.902 7.424 -10.605 1.00 11.34 O ATOM 463 CB GLU A 32 25.957 7.234 -13.244 1.00 45.42 C ATOM 464 CG GLU A 32 26.333 6.483 -14.510 1.00 40.04 C ATOM 465 CD GLU A 32 27.210 7.303 -15.437 1.00 31.11 C ATOM 466 OE1 GLU A 32 28.001 8.125 -14.930 1.00 3.31 O ATOM 467 OE2 GLU A 32 27.105 7.123 -16.668 1.00 33.41 O ATOM 0 H GLU A 32 24.259 8.002 -14.857 1.00 11.21 H new ATOM 0 HA GLU A 32 24.155 6.164 -12.767 1.00 62.21 H new ATOM 0 HB2 GLU A 32 26.275 8.272 -13.340 1.00 45.42 H new ATOM 0 HB3 GLU A 32 26.506 6.809 -12.403 1.00 45.42 H new ATOM 0 HG2 GLU A 32 26.854 5.564 -14.241 1.00 40.04 H new ATOM 0 HG3 GLU A 32 25.425 6.192 -15.038 1.00 40.04 H new ATOM 474 N LYS A 33 24.242 9.317 -11.772 1.00 23.22 N ATOM 475 CA LYS A 33 23.992 10.194 -10.634 1.00 55.15 C ATOM 476 C LYS A 33 22.596 9.960 -10.064 1.00 24.10 C ATOM 477 O LYS A 33 22.429 9.805 -8.855 1.00 20.12 O ATOM 478 CB LYS A 33 24.145 11.659 -11.050 1.00 72.23 C ATOM 479 CG LYS A 33 25.349 12.345 -10.429 1.00 65.54 C ATOM 480 CD LYS A 33 26.220 13.005 -11.485 1.00 3.43 C ATOM 481 CE LYS A 33 25.860 14.472 -11.667 1.00 34.24 C ATOM 482 NZ LYS A 33 26.312 14.995 -12.985 1.00 63.24 N ATOM 0 H LYS A 33 24.467 9.805 -12.639 1.00 23.22 H new ATOM 0 HA LYS A 33 24.725 9.963 -9.861 1.00 55.15 H new ATOM 0 HB2 LYS A 33 24.226 11.713 -12.136 1.00 72.23 H new ATOM 0 HB3 LYS A 33 23.243 12.203 -10.771 1.00 72.23 H new ATOM 0 HG2 LYS A 33 25.013 13.095 -9.713 1.00 65.54 H new ATOM 0 HG3 LYS A 33 25.938 11.615 -9.874 1.00 65.54 H new ATOM 0 HD2 LYS A 33 27.268 12.919 -11.199 1.00 3.43 H new ATOM 0 HD3 LYS A 33 26.104 12.480 -12.433 1.00 3.43 H new ATOM 0 HE2 LYS A 33 24.781 14.595 -11.579 1.00 34.24 H new ATOM 0 HE3 LYS A 33 26.314 15.059 -10.868 1.00 34.24 H new ATOM 0 HZ1 LYS A 33 26.048 15.997 -13.070 1.00 63.24 H new ATOM 0 HZ2 LYS A 33 27.345 14.902 -13.060 1.00 63.24 H new ATOM 0 HZ3 LYS A 33 25.859 14.452 -13.748 1.00 63.24 H new ATOM 496 N GLU A 34 21.599 9.934 -10.943 1.00 2.23 N ATOM 497 CA GLU A 34 20.219 9.718 -10.525 1.00 10.03 C ATOM 498 C GLU A 34 20.091 8.430 -9.716 1.00 11.42 C ATOM 499 O GLU A 34 19.468 8.412 -8.654 1.00 30.23 O ATOM 500 CB GLU A 34 19.296 9.661 -11.744 1.00 44.11 C ATOM 501 CG GLU A 34 18.139 10.643 -11.678 1.00 11.31 C ATOM 502 CD GLU A 34 16.817 10.014 -12.072 1.00 52.35 C ATOM 503 OE1 GLU A 34 16.769 9.347 -13.127 1.00 25.41 O ATOM 504 OE2 GLU A 34 15.830 10.190 -11.328 1.00 20.43 O ATOM 0 H GLU A 34 21.721 10.060 -11.948 1.00 2.23 H new ATOM 0 HA GLU A 34 19.923 10.555 -9.893 1.00 10.03 H new ATOM 0 HB2 GLU A 34 19.881 9.862 -12.642 1.00 44.11 H new ATOM 0 HB3 GLU A 34 18.899 8.651 -11.841 1.00 44.11 H new ATOM 0 HG2 GLU A 34 18.061 11.039 -10.666 1.00 11.31 H new ATOM 0 HG3 GLU A 34 18.346 11.487 -12.336 1.00 11.31 H new ATOM 511 N ILE A 35 20.684 7.357 -10.226 1.00 70.42 N ATOM 512 CA ILE A 35 20.637 6.065 -9.552 1.00 12.33 C ATOM 513 C ILE A 35 21.246 6.151 -8.156 1.00 40.44 C ATOM 514 O ILE A 35 20.682 5.641 -7.189 1.00 71.02 O ATOM 515 CB ILE A 35 21.378 4.982 -10.357 1.00 71.13 C ATOM 516 CG1 ILE A 35 20.671 4.734 -11.691 1.00 53.12 C ATOM 517 CG2 ILE A 35 21.470 3.694 -9.553 1.00 31.21 C ATOM 518 CD1 ILE A 35 19.291 4.132 -11.541 1.00 22.20 C ATOM 0 H ILE A 35 21.203 7.356 -11.104 1.00 70.42 H new ATOM 0 HA ILE A 35 19.585 5.790 -9.471 1.00 12.33 H new ATOM 0 HB ILE A 35 22.390 5.332 -10.563 1.00 71.13 H new ATOM 0 HG12 ILE A 35 20.590 5.677 -12.231 1.00 53.12 H new ATOM 0 HG13 ILE A 35 21.284 4.070 -12.300 1.00 53.12 H new ATOM 0 HG21 ILE A 35 21.997 2.938 -10.136 1.00 31.21 H new ATOM 0 HG22 ILE A 35 22.013 3.881 -8.627 1.00 31.21 H new ATOM 0 HG23 ILE A 35 20.466 3.338 -9.320 1.00 31.21 H new ATOM 0 HD11 ILE A 35 18.850 3.984 -12.527 1.00 22.20 H new ATOM 0 HD12 ILE A 35 19.366 3.173 -11.029 1.00 22.20 H new ATOM 0 HD13 ILE A 35 18.662 4.805 -10.959 1.00 22.20 H new ATOM 530 N ALA A 36 22.401 6.802 -8.060 1.00 53.40 N ATOM 531 CA ALA A 36 23.085 6.959 -6.783 1.00 11.24 C ATOM 532 C ALA A 36 22.180 7.627 -5.753 1.00 54.43 C ATOM 533 O ALA A 36 22.064 7.162 -4.620 1.00 13.31 O ATOM 534 CB ALA A 36 24.364 7.763 -6.964 1.00 70.11 C ATOM 0 H ALA A 36 22.882 7.229 -8.852 1.00 53.40 H new ATOM 0 HA ALA A 36 23.342 5.966 -6.413 1.00 11.24 H new ATOM 0 HB1 ALA A 36 24.864 7.872 -6.002 1.00 70.11 H new ATOM 0 HB2 ALA A 36 25.024 7.245 -7.659 1.00 70.11 H new ATOM 0 HB3 ALA A 36 24.121 8.749 -7.361 1.00 70.11 H new ATOM 540 N ALA A 37 21.540 8.721 -6.156 1.00 25.05 N ATOM 541 CA ALA A 37 20.645 9.452 -5.268 1.00 54.12 C ATOM 542 C ALA A 37 19.404 8.628 -4.940 1.00 2.12 C ATOM 543 O ALA A 37 18.845 8.738 -3.848 1.00 70.54 O ATOM 544 CB ALA A 37 20.248 10.780 -5.896 1.00 74.11 C ATOM 0 H ALA A 37 21.625 9.120 -7.091 1.00 25.05 H new ATOM 0 HA ALA A 37 21.176 9.647 -4.337 1.00 54.12 H new ATOM 0 HB1 ALA A 37 19.579 11.316 -5.222 1.00 74.11 H new ATOM 0 HB2 ALA A 37 21.141 11.380 -6.074 1.00 74.11 H new ATOM 0 HB3 ALA A 37 19.739 10.597 -6.842 1.00 74.11 H new ATOM 550 N PHE A 38 18.978 7.804 -5.891 1.00 62.21 N ATOM 551 CA PHE A 38 17.802 6.962 -5.703 1.00 42.23 C ATOM 552 C PHE A 38 18.013 5.982 -4.553 1.00 11.22 C ATOM 553 O PHE A 38 17.205 5.914 -3.627 1.00 63.31 O ATOM 554 CB PHE A 38 17.486 6.196 -6.989 1.00 45.05 C ATOM 555 CG PHE A 38 16.269 6.705 -7.707 1.00 34.44 C ATOM 556 CD1 PHE A 38 15.029 6.693 -7.088 1.00 72.53 C ATOM 557 CD2 PHE A 38 16.364 7.194 -8.999 1.00 53.33 C ATOM 558 CE1 PHE A 38 13.906 7.160 -7.745 1.00 41.22 C ATOM 559 CE2 PHE A 38 15.245 7.664 -9.661 1.00 33.51 C ATOM 560 CZ PHE A 38 14.014 7.645 -9.034 1.00 3.33 C ATOM 0 H PHE A 38 19.429 7.701 -6.800 1.00 62.21 H new ATOM 0 HA PHE A 38 16.959 7.608 -5.457 1.00 42.23 H new ATOM 0 HB2 PHE A 38 18.344 6.256 -7.658 1.00 45.05 H new ATOM 0 HB3 PHE A 38 17.342 5.143 -6.749 1.00 45.05 H new ATOM 0 HD1 PHE A 38 14.939 6.314 -6.081 1.00 72.53 H new ATOM 0 HD2 PHE A 38 17.323 7.208 -9.495 1.00 53.33 H new ATOM 0 HE1 PHE A 38 12.946 7.146 -7.251 1.00 41.22 H new ATOM 0 HE2 PHE A 38 15.333 8.046 -10.667 1.00 33.51 H new ATOM 0 HZ PHE A 38 13.138 8.009 -9.551 1.00 3.33 H new ATOM 570 N GLU A 39 19.104 5.226 -4.620 1.00 71.41 N ATOM 571 CA GLU A 39 19.420 4.248 -3.585 1.00 40.40 C ATOM 572 C GLU A 39 19.727 4.940 -2.260 1.00 25.32 C ATOM 573 O GLU A 39 19.351 4.455 -1.193 1.00 14.43 O ATOM 574 CB GLU A 39 20.611 3.387 -4.012 1.00 14.21 C ATOM 575 CG GLU A 39 21.841 4.194 -4.390 1.00 1.51 C ATOM 576 CD GLU A 39 23.009 3.319 -4.801 1.00 42.41 C ATOM 577 OE1 GLU A 39 22.777 2.301 -5.486 1.00 14.43 O ATOM 578 OE2 GLU A 39 24.157 3.653 -4.438 1.00 14.41 O ATOM 0 H GLU A 39 19.784 5.272 -5.379 1.00 71.41 H new ATOM 0 HA GLU A 39 18.549 3.607 -3.448 1.00 40.40 H new ATOM 0 HB2 GLU A 39 20.868 2.708 -3.199 1.00 14.21 H new ATOM 0 HB3 GLU A 39 20.317 2.770 -4.861 1.00 14.21 H new ATOM 0 HG2 GLU A 39 21.591 4.868 -5.209 1.00 1.51 H new ATOM 0 HG3 GLU A 39 22.137 4.815 -3.545 1.00 1.51 H new ATOM 585 N SER A 40 20.415 6.074 -2.337 1.00 3.53 N ATOM 586 CA SER A 40 20.778 6.831 -1.144 1.00 31.11 C ATOM 587 C SER A 40 19.545 7.463 -0.506 1.00 33.13 C ATOM 588 O SER A 40 19.515 7.711 0.699 1.00 32.52 O ATOM 589 CB SER A 40 21.798 7.916 -1.493 1.00 23.00 C ATOM 590 OG SER A 40 22.358 8.485 -0.322 1.00 64.02 O ATOM 0 H SER A 40 20.733 6.489 -3.213 1.00 3.53 H new ATOM 0 HA SER A 40 21.223 6.141 -0.428 1.00 31.11 H new ATOM 0 HB2 SER A 40 22.590 7.490 -2.109 1.00 23.00 H new ATOM 0 HB3 SER A 40 21.317 8.695 -2.085 1.00 23.00 H new ATOM 0 HG SER A 40 23.008 9.175 -0.572 1.00 64.02 H new ATOM 596 N GLU A 41 18.529 7.721 -1.324 1.00 2.11 N ATOM 597 CA GLU A 41 17.293 8.325 -0.840 1.00 5.14 C ATOM 598 C GLU A 41 16.389 7.276 -0.199 1.00 65.31 C ATOM 599 O GLU A 41 15.751 7.530 0.823 1.00 55.43 O ATOM 600 CB GLU A 41 16.555 9.019 -1.986 1.00 61.44 C ATOM 601 CG GLU A 41 16.957 10.471 -2.179 1.00 11.33 C ATOM 602 CD GLU A 41 15.766 11.379 -2.417 1.00 41.31 C ATOM 603 OE1 GLU A 41 14.989 11.602 -1.465 1.00 42.34 O ATOM 604 OE2 GLU A 41 15.612 11.867 -3.556 1.00 54.15 O ATOM 0 H GLU A 41 18.538 7.521 -2.324 1.00 2.11 H new ATOM 0 HA GLU A 41 17.553 9.066 -0.084 1.00 5.14 H new ATOM 0 HB2 GLU A 41 16.742 8.473 -2.911 1.00 61.44 H new ATOM 0 HB3 GLU A 41 15.482 8.970 -1.799 1.00 61.44 H new ATOM 0 HG2 GLU A 41 17.500 10.814 -1.298 1.00 11.33 H new ATOM 0 HG3 GLU A 41 17.641 10.546 -3.025 1.00 11.33 H new ATOM 611 N LEU A 42 16.340 6.096 -0.807 1.00 24.52 N ATOM 612 CA LEU A 42 15.515 5.006 -0.297 1.00 54.33 C ATOM 613 C LEU A 42 16.143 4.381 0.944 1.00 11.53 C ATOM 614 O LEU A 42 15.439 3.904 1.834 1.00 71.25 O ATOM 615 CB LEU A 42 15.320 3.940 -1.376 1.00 62.52 C ATOM 616 CG LEU A 42 14.547 4.377 -2.621 1.00 63.10 C ATOM 617 CD1 LEU A 42 15.138 3.738 -3.868 1.00 44.22 C ATOM 618 CD2 LEU A 42 13.074 4.023 -2.486 1.00 34.25 C ATOM 0 H LEU A 42 16.862 5.869 -1.654 1.00 24.52 H new ATOM 0 HA LEU A 42 14.544 5.417 -0.021 1.00 54.33 H new ATOM 0 HB2 LEU A 42 16.302 3.585 -1.689 1.00 62.52 H new ATOM 0 HB3 LEU A 42 14.801 3.091 -0.930 1.00 62.52 H new ATOM 0 HG LEU A 42 14.633 5.459 -2.717 1.00 63.10 H new ATOM 0 HD11 LEU A 42 14.575 4.061 -4.744 1.00 44.22 H new ATOM 0 HD12 LEU A 42 16.179 4.042 -3.974 1.00 44.22 H new ATOM 0 HD13 LEU A 42 15.084 2.653 -3.781 1.00 44.22 H new ATOM 0 HD21 LEU A 42 12.540 4.341 -3.381 1.00 34.25 H new ATOM 0 HD22 LEU A 42 12.969 2.945 -2.365 1.00 34.25 H new ATOM 0 HD23 LEU A 42 12.657 4.529 -1.615 1.00 34.25 H new ATOM 630 N GLN A 43 17.471 4.391 0.998 1.00 71.03 N ATOM 631 CA GLN A 43 18.193 3.826 2.131 1.00 3.34 C ATOM 632 C GLN A 43 18.135 4.762 3.335 1.00 62.25 C ATOM 633 O GLN A 43 18.388 4.350 4.466 1.00 24.21 O ATOM 634 CB GLN A 43 19.650 3.555 1.751 1.00 11.21 C ATOM 635 CG GLN A 43 20.527 4.796 1.780 1.00 43.22 C ATOM 636 CD GLN A 43 21.287 4.944 3.083 1.00 24.42 C ATOM 637 OE1 GLN A 43 20.783 5.520 4.048 1.00 63.15 O ATOM 638 NE2 GLN A 43 22.508 4.422 3.119 1.00 20.22 N ATOM 0 H GLN A 43 18.068 4.784 0.271 1.00 71.03 H new ATOM 0 HA GLN A 43 17.714 2.885 2.402 1.00 3.34 H new ATOM 0 HB2 GLN A 43 20.063 2.812 2.434 1.00 11.21 H new ATOM 0 HB3 GLN A 43 19.681 3.121 0.752 1.00 11.21 H new ATOM 0 HG2 GLN A 43 21.236 4.754 0.953 1.00 43.22 H new ATOM 0 HG3 GLN A 43 19.906 5.678 1.624 1.00 43.22 H new ATOM 0 HE21 GLN A 43 22.887 3.953 2.296 1.00 20.22 H new ATOM 0 HE22 GLN A 43 23.067 4.490 3.970 1.00 20.22 H new ATOM 647 N ALA A 44 17.801 6.023 3.082 1.00 75.14 N ATOM 648 CA ALA A 44 17.708 7.016 4.144 1.00 13.42 C ATOM 649 C ALA A 44 16.347 6.960 4.831 1.00 25.23 C ATOM 650 O ALA A 44 16.165 7.514 5.915 1.00 4.15 O ATOM 651 CB ALA A 44 17.963 8.409 3.588 1.00 54.41 C ATOM 0 H ALA A 44 17.590 6.381 2.150 1.00 75.14 H new ATOM 0 HA ALA A 44 18.471 6.788 4.888 1.00 13.42 H new ATOM 0 HB1 ALA A 44 17.890 9.141 4.393 1.00 54.41 H new ATOM 0 HB2 ALA A 44 18.960 8.449 3.150 1.00 54.41 H new ATOM 0 HB3 ALA A 44 17.221 8.637 2.822 1.00 54.41 H new ATOM 764 N GLU A 52 12.338 -3.953 1.913 1.00 65.31 N ATOM 765 CA GLU A 52 11.702 -3.322 0.763 1.00 60.44 C ATOM 766 C GLU A 52 12.696 -2.451 0.001 1.00 2.50 C ATOM 767 O GLU A 52 12.724 -2.451 -1.230 1.00 20.22 O ATOM 768 CB GLU A 52 10.507 -2.479 1.212 1.00 50.01 C ATOM 769 CG GLU A 52 10.857 -1.438 2.262 1.00 21.11 C ATOM 770 CD GLU A 52 9.640 -0.935 3.013 1.00 32.25 C ATOM 771 OE1 GLU A 52 8.780 -1.765 3.375 1.00 72.45 O ATOM 772 OE2 GLU A 52 9.548 0.289 3.241 1.00 53.54 O ATOM 0 HA GLU A 52 11.351 -4.110 0.097 1.00 60.44 H new ATOM 0 HB2 GLU A 52 10.080 -1.978 0.343 1.00 50.01 H new ATOM 0 HB3 GLU A 52 9.736 -3.139 1.610 1.00 50.01 H new ATOM 0 HG2 GLU A 52 11.565 -1.866 2.971 1.00 21.11 H new ATOM 0 HG3 GLU A 52 11.356 -0.597 1.782 1.00 21.11 H new ATOM 779 N VAL A 53 13.511 -1.707 0.742 1.00 2.34 N ATOM 780 CA VAL A 53 14.508 -0.830 0.138 1.00 34.24 C ATOM 781 C VAL A 53 15.688 -1.630 -0.401 1.00 50.15 C ATOM 782 O VAL A 53 16.409 -1.169 -1.286 1.00 21.52 O ATOM 783 CB VAL A 53 15.026 0.210 1.149 1.00 52.53 C ATOM 784 CG1 VAL A 53 16.130 1.053 0.529 1.00 62.12 C ATOM 785 CG2 VAL A 53 13.885 1.089 1.640 1.00 45.31 C ATOM 0 H VAL A 53 13.501 -1.694 1.762 1.00 2.34 H new ATOM 0 HA VAL A 53 14.017 -0.312 -0.686 1.00 34.24 H new ATOM 0 HB VAL A 53 15.443 -0.318 2.007 1.00 52.53 H new ATOM 0 HG11 VAL A 53 16.484 1.782 1.258 1.00 62.12 H new ATOM 0 HG12 VAL A 53 16.956 0.408 0.231 1.00 62.12 H new ATOM 0 HG13 VAL A 53 15.742 1.574 -0.346 1.00 62.12 H new ATOM 0 HG21 VAL A 53 14.269 1.818 2.354 1.00 45.31 H new ATOM 0 HG22 VAL A 53 13.437 1.610 0.794 1.00 45.31 H new ATOM 0 HG23 VAL A 53 13.131 0.469 2.125 1.00 45.31 H new ATOM 795 N GLU A 54 15.878 -2.830 0.137 1.00 62.41 N ATOM 796 CA GLU A 54 16.972 -3.694 -0.291 1.00 61.34 C ATOM 797 C GLU A 54 16.913 -3.941 -1.796 1.00 61.41 C ATOM 798 O GLU A 54 17.944 -4.060 -2.457 1.00 43.22 O ATOM 799 CB GLU A 54 16.922 -5.027 0.458 1.00 60.52 C ATOM 800 CG GLU A 54 16.349 -6.168 -0.367 1.00 14.33 C ATOM 801 CD GLU A 54 16.145 -7.431 0.447 1.00 20.00 C ATOM 802 OE1 GLU A 54 16.286 -7.367 1.686 1.00 11.23 O ATOM 803 OE2 GLU A 54 15.845 -8.483 -0.155 1.00 24.22 O ATOM 0 H GLU A 54 15.289 -3.226 0.870 1.00 62.41 H new ATOM 0 HA GLU A 54 17.911 -3.191 -0.059 1.00 61.34 H new ATOM 0 HB2 GLU A 54 17.930 -5.292 0.779 1.00 60.52 H new ATOM 0 HB3 GLU A 54 16.322 -4.905 1.360 1.00 60.52 H new ATOM 0 HG2 GLU A 54 15.396 -5.859 -0.796 1.00 14.33 H new ATOM 0 HG3 GLU A 54 17.019 -6.381 -1.200 1.00 14.33 H new ATOM 810 N ALA A 55 15.698 -4.018 -2.330 1.00 25.51 N ATOM 811 CA ALA A 55 15.504 -4.250 -3.756 1.00 0.12 C ATOM 812 C ALA A 55 15.991 -3.061 -4.577 1.00 5.35 C ATOM 813 O ALA A 55 16.782 -3.218 -5.508 1.00 30.30 O ATOM 814 CB ALA A 55 14.038 -4.531 -4.050 1.00 31.03 C ATOM 0 H ALA A 55 14.834 -3.923 -1.797 1.00 25.51 H new ATOM 0 HA ALA A 55 16.094 -5.121 -4.041 1.00 0.12 H new ATOM 0 HB1 ALA A 55 13.908 -4.702 -5.119 1.00 31.03 H new ATOM 0 HB2 ALA A 55 13.720 -5.416 -3.499 1.00 31.03 H new ATOM 0 HB3 ALA A 55 13.435 -3.676 -3.743 1.00 31.03 H new ATOM 820 N LEU A 56 15.515 -1.871 -4.226 1.00 62.21 N ATOM 821 CA LEU A 56 15.902 -0.654 -4.931 1.00 63.12 C ATOM 822 C LEU A 56 17.409 -0.434 -4.850 1.00 4.30 C ATOM 823 O LEU A 56 18.033 0.022 -5.809 1.00 73.41 O ATOM 824 CB LEU A 56 15.167 0.553 -4.347 1.00 14.10 C ATOM 825 CG LEU A 56 13.648 0.419 -4.224 1.00 24.23 C ATOM 826 CD1 LEU A 56 13.184 0.855 -2.843 1.00 3.22 C ATOM 827 CD2 LEU A 56 12.951 1.232 -5.304 1.00 45.44 C ATOM 0 H LEU A 56 14.861 -1.723 -3.458 1.00 62.21 H new ATOM 0 HA LEU A 56 15.626 -0.767 -5.979 1.00 63.12 H new ATOM 0 HB2 LEU A 56 15.575 0.758 -3.357 1.00 14.10 H new ATOM 0 HB3 LEU A 56 15.386 1.422 -4.968 1.00 14.10 H new ATOM 0 HG LEU A 56 13.383 -0.630 -4.360 1.00 24.23 H new ATOM 0 HD11 LEU A 56 12.101 0.753 -2.774 1.00 3.22 H new ATOM 0 HD12 LEU A 56 13.657 0.229 -2.086 1.00 3.22 H new ATOM 0 HD13 LEU A 56 13.461 1.896 -2.678 1.00 3.22 H new ATOM 0 HD21 LEU A 56 11.871 1.124 -5.201 1.00 45.44 H new ATOM 0 HD22 LEU A 56 13.223 2.283 -5.201 1.00 45.44 H new ATOM 0 HD23 LEU A 56 13.259 0.872 -6.286 1.00 45.44 H new ATOM 839 N ARG A 57 17.989 -0.762 -3.700 1.00 0.51 N ATOM 840 CA ARG A 57 19.423 -0.600 -3.494 1.00 23.31 C ATOM 841 C ARG A 57 20.212 -1.541 -4.400 1.00 72.31 C ATOM 842 O ARG A 57 21.200 -1.144 -5.017 1.00 43.30 O ATOM 843 CB ARG A 57 19.783 -0.864 -2.031 1.00 12.14 C ATOM 844 CG ARG A 57 20.821 0.097 -1.476 1.00 2.42 C ATOM 845 CD ARG A 57 20.674 0.270 0.028 1.00 71.51 C ATOM 846 NE ARG A 57 21.834 -0.240 0.753 1.00 4.15 N ATOM 847 CZ ARG A 57 21.888 -0.339 2.077 1.00 4.41 C ATOM 848 NH1 ARG A 57 20.853 0.035 2.816 1.00 72.12 N ATOM 849 NH2 ARG A 57 22.980 -0.812 2.664 1.00 30.43 N ATOM 0 H ARG A 57 17.488 -1.142 -2.897 1.00 0.51 H new ATOM 0 HA ARG A 57 19.687 0.427 -3.747 1.00 23.31 H new ATOM 0 HB2 ARG A 57 18.879 -0.798 -1.426 1.00 12.14 H new ATOM 0 HB3 ARG A 57 20.157 -1.884 -1.936 1.00 12.14 H new ATOM 0 HG2 ARG A 57 21.820 -0.274 -1.705 1.00 2.42 H new ATOM 0 HG3 ARG A 57 20.720 1.065 -1.966 1.00 2.42 H new ATOM 0 HD2 ARG A 57 20.537 1.326 0.260 1.00 71.51 H new ATOM 0 HD3 ARG A 57 19.778 -0.249 0.367 1.00 71.51 H new ATOM 0 HE ARG A 57 22.647 -0.537 0.214 1.00 4.15 H new ATOM 0 HH11 ARG A 57 20.012 0.400 2.369 1.00 72.12 H new ATOM 0 HH12 ARG A 57 20.897 -0.042 3.832 1.00 72.12 H new ATOM 0 HH21 ARG A 57 23.779 -1.100 2.099 1.00 30.43 H new ATOM 0 HH22 ARG A 57 23.021 -0.888 3.680 1.00 30.43 H new ATOM 863 N LYS A 58 19.768 -2.792 -4.475 1.00 43.41 N ATOM 864 CA LYS A 58 20.431 -3.790 -5.306 1.00 34.33 C ATOM 865 C LYS A 58 20.398 -3.384 -6.776 1.00 33.14 C ATOM 866 O LYS A 58 21.440 -3.269 -7.420 1.00 33.40 O ATOM 867 CB LYS A 58 19.763 -5.156 -5.128 1.00 13.32 C ATOM 868 CG LYS A 58 20.743 -6.316 -5.122 1.00 73.12 C ATOM 869 CD LYS A 58 20.668 -7.115 -6.412 1.00 70.43 C ATOM 870 CE LYS A 58 22.054 -7.462 -6.934 1.00 71.40 C ATOM 871 NZ LYS A 58 22.570 -8.727 -6.340 1.00 11.55 N ATOM 0 H LYS A 58 18.952 -3.138 -3.970 1.00 43.41 H new ATOM 0 HA LYS A 58 21.472 -3.857 -4.989 1.00 34.33 H new ATOM 0 HB2 LYS A 58 19.204 -5.159 -4.192 1.00 13.32 H new ATOM 0 HB3 LYS A 58 19.041 -5.305 -5.931 1.00 13.32 H new ATOM 0 HG2 LYS A 58 21.756 -5.937 -4.986 1.00 73.12 H new ATOM 0 HG3 LYS A 58 20.530 -6.969 -4.275 1.00 73.12 H new ATOM 0 HD2 LYS A 58 20.102 -8.031 -6.241 1.00 70.43 H new ATOM 0 HD3 LYS A 58 20.127 -6.542 -7.165 1.00 70.43 H new ATOM 0 HE2 LYS A 58 22.020 -7.558 -8.019 1.00 71.40 H new ATOM 0 HE3 LYS A 58 22.742 -6.647 -6.707 1.00 71.40 H new ATOM 0 HZ1 LYS A 58 23.516 -8.929 -6.721 1.00 11.55 H new ATOM 0 HZ2 LYS A 58 22.627 -8.627 -5.306 1.00 11.55 H new ATOM 0 HZ3 LYS A 58 21.927 -9.509 -6.577 1.00 11.55 H new ATOM 885 N GLU A 59 19.195 -3.167 -7.298 1.00 52.21 N ATOM 886 CA GLU A 59 19.028 -2.773 -8.692 1.00 42.41 C ATOM 887 C GLU A 59 19.855 -1.529 -9.008 1.00 73.45 C ATOM 888 O GLU A 59 20.612 -1.505 -9.978 1.00 53.23 O ATOM 889 CB GLU A 59 17.552 -2.509 -8.998 1.00 3.54 C ATOM 890 CG GLU A 59 16.930 -3.536 -9.929 1.00 2.34 C ATOM 891 CD GLU A 59 15.636 -4.108 -9.384 1.00 71.23 C ATOM 892 OE1 GLU A 59 14.835 -3.334 -8.820 1.00 72.04 O ATOM 893 OE2 GLU A 59 15.424 -5.331 -9.523 1.00 24.32 O ATOM 0 H GLU A 59 18.323 -3.257 -6.777 1.00 52.21 H new ATOM 0 HA GLU A 59 19.380 -3.592 -9.319 1.00 42.41 H new ATOM 0 HB2 GLU A 59 16.993 -2.494 -8.062 1.00 3.54 H new ATOM 0 HB3 GLU A 59 17.454 -1.520 -9.445 1.00 3.54 H new ATOM 0 HG2 GLU A 59 16.739 -3.074 -10.898 1.00 2.34 H new ATOM 0 HG3 GLU A 59 17.639 -4.346 -10.096 1.00 2.34 H new ATOM 900 N ALA A 60 19.703 -0.499 -8.183 1.00 34.11 N ATOM 901 CA ALA A 60 20.435 0.747 -8.373 1.00 21.31 C ATOM 902 C ALA A 60 21.930 0.487 -8.521 1.00 5.23 C ATOM 903 O ALA A 60 22.555 0.933 -9.483 1.00 21.51 O ATOM 904 CB ALA A 60 20.174 1.695 -7.212 1.00 21.21 C ATOM 0 H ALA A 60 19.079 -0.503 -7.376 1.00 34.11 H new ATOM 0 HA ALA A 60 20.081 1.212 -9.293 1.00 21.31 H new ATOM 0 HB1 ALA A 60 20.727 2.621 -7.367 1.00 21.21 H new ATOM 0 HB2 ALA A 60 19.108 1.914 -7.154 1.00 21.21 H new ATOM 0 HB3 ALA A 60 20.500 1.229 -6.282 1.00 21.21 H new ATOM 910 N ALA A 61 22.499 -0.235 -7.561 1.00 33.23 N ATOM 911 CA ALA A 61 23.921 -0.555 -7.585 1.00 54.32 C ATOM 912 C ALA A 61 24.312 -1.218 -8.902 1.00 13.43 C ATOM 913 O ALA A 61 25.326 -0.869 -9.506 1.00 32.45 O ATOM 914 CB ALA A 61 24.280 -1.454 -6.412 1.00 33.41 C ATOM 0 H ALA A 61 21.996 -0.610 -6.756 1.00 33.23 H new ATOM 0 HA ALA A 61 24.479 0.377 -7.498 1.00 54.32 H new ATOM 0 HB1 ALA A 61 25.345 -1.685 -6.443 1.00 33.41 H new ATOM 0 HB2 ALA A 61 24.046 -0.944 -5.478 1.00 33.41 H new ATOM 0 HB3 ALA A 61 23.707 -2.379 -6.474 1.00 33.41 H new ATOM 920 N ALA A 62 23.501 -2.175 -9.340 1.00 41.05 N ATOM 921 CA ALA A 62 23.762 -2.886 -10.586 1.00 42.51 C ATOM 922 C ALA A 62 23.821 -1.921 -11.766 1.00 63.41 C ATOM 923 O ALA A 62 24.717 -2.009 -12.607 1.00 34.21 O ATOM 924 CB ALA A 62 22.697 -3.946 -10.822 1.00 23.43 C ATOM 0 H ALA A 62 22.658 -2.476 -8.851 1.00 41.05 H new ATOM 0 HA ALA A 62 24.733 -3.375 -10.500 1.00 42.51 H new ATOM 0 HB1 ALA A 62 22.905 -4.469 -11.756 1.00 23.43 H new ATOM 0 HB2 ALA A 62 22.704 -4.659 -9.998 1.00 23.43 H new ATOM 0 HB3 ALA A 62 21.718 -3.471 -10.882 1.00 23.43 H new ATOM 930 N ILE A 63 22.862 -1.003 -11.823 1.00 25.34 N ATOM 931 CA ILE A 63 22.807 -0.023 -12.900 1.00 33.02 C ATOM 932 C ILE A 63 24.067 0.834 -12.929 1.00 4.43 C ATOM 933 O ILE A 63 24.641 1.077 -13.991 1.00 21.04 O ATOM 934 CB ILE A 63 21.578 0.895 -12.762 1.00 50.33 C ATOM 935 CG1 ILE A 63 20.291 0.068 -12.779 1.00 61.32 C ATOM 936 CG2 ILE A 63 21.563 1.931 -13.877 1.00 21.41 C ATOM 937 CD1 ILE A 63 19.258 0.536 -11.778 1.00 24.11 C ATOM 0 H ILE A 63 22.113 -0.918 -11.136 1.00 25.34 H new ATOM 0 HA ILE A 63 22.730 -0.582 -13.832 1.00 33.02 H new ATOM 0 HB ILE A 63 21.639 1.417 -11.807 1.00 50.33 H new ATOM 0 HG12 ILE A 63 19.859 0.104 -13.779 1.00 61.32 H new ATOM 0 HG13 ILE A 63 20.536 -0.974 -12.575 1.00 61.32 H new ATOM 0 HG21 ILE A 63 20.689 2.572 -13.766 1.00 21.41 H new ATOM 0 HG22 ILE A 63 22.467 2.537 -13.822 1.00 21.41 H new ATOM 0 HG23 ILE A 63 21.522 1.426 -14.842 1.00 21.41 H new ATOM 0 HD11 ILE A 63 18.373 -0.096 -11.846 1.00 24.11 H new ATOM 0 HD12 ILE A 63 19.672 0.473 -10.772 1.00 24.11 H new ATOM 0 HD13 ILE A 63 18.984 1.569 -11.994 1.00 24.11 H new ATOM 949 N ARG A 64 24.494 1.289 -11.755 1.00 62.11 N ATOM 950 CA ARG A 64 25.688 2.119 -11.645 1.00 72.15 C ATOM 951 C ARG A 64 26.914 1.380 -12.173 1.00 61.04 C ATOM 952 O ARG A 64 27.706 1.936 -12.935 1.00 72.31 O ATOM 953 CB ARG A 64 25.916 2.532 -10.190 1.00 54.44 C ATOM 954 CG ARG A 64 26.874 3.702 -10.032 1.00 71.53 C ATOM 955 CD ARG A 64 27.985 3.381 -9.045 1.00 44.22 C ATOM 956 NE ARG A 64 28.394 4.556 -8.280 1.00 53.54 N ATOM 957 CZ ARG A 64 29.071 5.573 -8.801 1.00 43.33 C ATOM 958 NH1 ARG A 64 29.414 5.559 -10.082 1.00 24.11 N ATOM 959 NH2 ARG A 64 29.407 6.608 -8.041 1.00 34.31 N ATOM 0 H ARG A 64 24.031 1.097 -10.867 1.00 62.11 H new ATOM 0 HA ARG A 64 25.535 3.013 -12.250 1.00 72.15 H new ATOM 0 HB2 ARG A 64 24.958 2.795 -9.741 1.00 54.44 H new ATOM 0 HB3 ARG A 64 26.304 1.678 -9.635 1.00 54.44 H new ATOM 0 HG2 ARG A 64 27.307 3.953 -11.000 1.00 71.53 H new ATOM 0 HG3 ARG A 64 26.325 4.580 -9.691 1.00 71.53 H new ATOM 0 HD2 ARG A 64 27.648 2.602 -8.361 1.00 44.22 H new ATOM 0 HD3 ARG A 64 28.844 2.982 -9.584 1.00 44.22 H new ATOM 0 HE ARG A 64 28.146 4.598 -7.291 1.00 53.54 H new ATOM 0 HH11 ARG A 64 29.158 4.766 -10.670 1.00 24.11 H new ATOM 0 HH12 ARG A 64 29.934 6.341 -10.479 1.00 24.11 H new ATOM 0 HH21 ARG A 64 29.145 6.623 -7.055 1.00 34.31 H new ATOM 0 HH22 ARG A 64 29.927 7.388 -8.443 1.00 34.31 H new ATOM 973 N ASP A 65 27.064 0.126 -11.763 1.00 64.51 N ATOM 974 CA ASP A 65 28.194 -0.690 -12.195 1.00 33.02 C ATOM 975 C ASP A 65 28.215 -0.828 -13.714 1.00 3.31 C ATOM 976 O ASP A 65 29.266 -0.703 -14.343 1.00 14.55 O ATOM 977 CB ASP A 65 28.129 -2.073 -11.546 1.00 32.43 C ATOM 978 CG ASP A 65 28.295 -2.015 -10.040 1.00 45.10 C ATOM 979 OD1 ASP A 65 28.903 -1.041 -9.547 1.00 54.13 O ATOM 980 OD2 ASP A 65 27.818 -2.943 -9.354 1.00 41.32 O ATOM 0 H ASP A 65 26.418 -0.348 -11.132 1.00 64.51 H new ATOM 0 HA ASP A 65 29.111 -0.192 -11.881 1.00 33.02 H new ATOM 0 HB2 ASP A 65 27.173 -2.539 -11.785 1.00 32.43 H new ATOM 0 HB3 ASP A 65 28.908 -2.707 -11.970 1.00 32.43 H new ATOM 985 N GLU A 66 27.049 -1.087 -14.296 1.00 73.13 N ATOM 986 CA GLU A 66 26.935 -1.244 -15.742 1.00 3.34 C ATOM 987 C GLU A 66 27.370 0.029 -16.462 1.00 41.15 C ATOM 988 O GLU A 66 28.139 -0.021 -17.423 1.00 42.12 O ATOM 989 CB GLU A 66 25.497 -1.596 -16.127 1.00 41.55 C ATOM 990 CG GLU A 66 24.959 -2.824 -15.414 1.00 73.31 C ATOM 991 CD GLU A 66 23.496 -2.687 -15.038 1.00 41.33 C ATOM 992 OE1 GLU A 66 22.786 -1.902 -15.700 1.00 55.54 O ATOM 993 OE2 GLU A 66 23.062 -3.363 -14.083 1.00 22.42 O ATOM 0 H GLU A 66 26.170 -1.193 -13.789 1.00 73.13 H new ATOM 0 HA GLU A 66 27.594 -2.057 -16.048 1.00 3.34 H new ATOM 0 HB2 GLU A 66 24.852 -0.746 -15.905 1.00 41.55 H new ATOM 0 HB3 GLU A 66 25.448 -1.761 -17.203 1.00 41.55 H new ATOM 0 HG2 GLU A 66 25.085 -3.696 -16.055 1.00 73.31 H new ATOM 0 HG3 GLU A 66 25.546 -3.003 -14.513 1.00 73.31 H new ATOM 1000 N CYS A 67 26.872 1.167 -15.993 1.00 2.34 N ATOM 1001 CA CYS A 67 27.207 2.454 -16.593 1.00 24.14 C ATOM 1002 C CYS A 67 28.715 2.686 -16.574 1.00 53.13 C ATOM 1003 O CYS A 67 29.293 3.142 -17.560 1.00 4.41 O ATOM 1004 CB CYS A 67 26.496 3.587 -15.851 1.00 74.35 C ATOM 1005 SG CYS A 67 24.700 3.591 -16.060 1.00 34.03 S ATOM 0 H CYS A 67 26.235 1.225 -15.199 1.00 2.34 H new ATOM 0 HA CYS A 67 26.872 2.442 -17.630 1.00 24.14 H new ATOM 0 HB2 CYS A 67 26.728 3.513 -14.788 1.00 74.35 H new ATOM 0 HB3 CYS A 67 26.894 4.541 -16.198 1.00 74.35 H new ATOM 0 HG CYS A 67 24.177 2.643 -15.340 1.00 34.03 H new ATOM 1011 N GLN A 68 29.343 2.370 -15.447 1.00 2.44 N ATOM 1012 CA GLN A 68 30.783 2.547 -15.300 1.00 1.22 C ATOM 1013 C GLN A 68 31.545 1.571 -16.190 1.00 50.45 C ATOM 1014 O GLN A 68 32.643 1.871 -16.659 1.00 54.12 O ATOM 1015 CB GLN A 68 31.196 2.352 -13.840 1.00 11.42 C ATOM 1016 CG GLN A 68 30.641 3.414 -12.904 1.00 1.11 C ATOM 1017 CD GLN A 68 30.828 4.820 -13.440 1.00 23.14 C ATOM 1018 OE1 GLN A 68 29.941 5.371 -14.092 1.00 44.20 O ATOM 1019 NE2 GLN A 68 31.987 5.408 -13.166 1.00 52.53 N ATOM 0 H GLN A 68 28.878 1.990 -14.622 1.00 2.44 H new ATOM 0 HA GLN A 68 31.032 3.562 -15.608 1.00 1.22 H new ATOM 0 HB2 GLN A 68 30.859 1.371 -13.504 1.00 11.42 H new ATOM 0 HB3 GLN A 68 32.284 2.355 -13.775 1.00 11.42 H new ATOM 0 HG2 GLN A 68 29.579 3.230 -12.741 1.00 1.11 H new ATOM 0 HG3 GLN A 68 31.132 3.331 -11.934 1.00 1.11 H new ATOM 0 HE21 GLN A 68 32.694 4.913 -12.622 1.00 52.53 H new ATOM 0 HE22 GLN A 68 32.170 6.354 -13.500 1.00 52.53 H new ATOM 1028 N ALA A 69 30.955 0.403 -16.419 1.00 62.43 N ATOM 1029 CA ALA A 69 31.578 -0.617 -17.255 1.00 53.50 C ATOM 1030 C ALA A 69 31.403 -0.295 -18.735 1.00 40.53 C ATOM 1031 O ALA A 69 31.991 -0.949 -19.597 1.00 31.35 O ATOM 1032 CB ALA A 69 30.996 -1.986 -16.939 1.00 33.34 C ATOM 0 H ALA A 69 30.047 0.139 -16.038 1.00 62.43 H new ATOM 0 HA ALA A 69 32.646 -0.629 -17.036 1.00 53.50 H new ATOM 0 HB1 ALA A 69 31.470 -2.737 -17.570 1.00 33.34 H new ATOM 0 HB2 ALA A 69 31.177 -2.225 -15.891 1.00 33.34 H new ATOM 0 HB3 ALA A 69 29.923 -1.978 -17.129 1.00 33.34 H new ATOM 1038 N TYR A 70 30.592 0.717 -19.024 1.00 75.41 N ATOM 1039 CA TYR A 70 30.337 1.123 -20.401 1.00 1.20 C ATOM 1040 C TYR A 70 31.211 2.313 -20.788 1.00 74.41 C ATOM 1041 O TYR A 70 31.699 2.397 -21.915 1.00 4.42 O ATOM 1042 CB TYR A 70 28.861 1.479 -20.585 1.00 71.04 C ATOM 1043 CG TYR A 70 27.922 0.325 -20.316 1.00 73.02 C ATOM 1044 CD1 TYR A 70 28.303 -0.984 -20.583 1.00 24.03 C ATOM 1045 CD2 TYR A 70 26.653 0.544 -19.794 1.00 73.13 C ATOM 1046 CE1 TYR A 70 27.448 -2.041 -20.339 1.00 62.10 C ATOM 1047 CE2 TYR A 70 25.791 -0.507 -19.546 1.00 63.20 C ATOM 1048 CZ TYR A 70 26.193 -1.798 -19.821 1.00 5.35 C ATOM 1049 OH TYR A 70 25.339 -2.848 -19.575 1.00 61.20 O ATOM 0 H TYR A 70 30.100 1.271 -18.323 1.00 75.41 H new ATOM 0 HA TYR A 70 30.585 0.285 -21.052 1.00 1.20 H new ATOM 0 HB2 TYR A 70 28.609 2.304 -19.919 1.00 71.04 H new ATOM 0 HB3 TYR A 70 28.706 1.833 -21.604 1.00 71.04 H new ATOM 0 HD1 TYR A 70 29.285 -1.179 -20.988 1.00 24.03 H new ATOM 0 HD2 TYR A 70 26.335 1.553 -19.578 1.00 73.13 H new ATOM 0 HE1 TYR A 70 27.761 -3.052 -20.553 1.00 62.10 H new ATOM 0 HE2 TYR A 70 24.808 -0.319 -19.139 1.00 63.20 H new ATOM 0 HH TYR A 70 24.496 -2.506 -19.210 1.00 61.20 H new ATOM 1059 N ARG A 71 31.403 3.229 -19.845 1.00 32.01 N ATOM 1060 CA ARG A 71 32.217 4.414 -20.086 1.00 14.41 C ATOM 1061 C ARG A 71 33.141 4.689 -18.903 1.00 71.12 C ATOM 1062 O ARG A 71 33.257 5.825 -18.443 1.00 41.33 O ATOM 1063 CB ARG A 71 31.323 5.629 -20.341 1.00 51.42 C ATOM 1064 CG ARG A 71 32.008 6.735 -21.127 1.00 4.43 C ATOM 1065 CD ARG A 71 31.124 7.967 -21.242 1.00 41.20 C ATOM 1066 NE ARG A 71 31.862 9.126 -21.738 1.00 74.01 N ATOM 1067 CZ ARG A 71 32.655 9.872 -20.978 1.00 41.51 C ATOM 1068 NH1 ARG A 71 32.813 9.583 -19.694 1.00 63.40 N ATOM 1069 NH2 ARG A 71 33.293 10.911 -21.503 1.00 11.25 N ATOM 0 H ARG A 71 31.006 3.173 -18.907 1.00 32.01 H new ATOM 0 HA ARG A 71 32.830 4.230 -20.968 1.00 14.41 H new ATOM 0 HB2 ARG A 71 30.433 5.308 -20.882 1.00 51.42 H new ATOM 0 HB3 ARG A 71 30.987 6.029 -19.385 1.00 51.42 H new ATOM 0 HG2 ARG A 71 32.945 7.003 -20.639 1.00 4.43 H new ATOM 0 HG3 ARG A 71 32.260 6.372 -22.124 1.00 4.43 H new ATOM 0 HD2 ARG A 71 30.291 7.754 -21.912 1.00 41.20 H new ATOM 0 HD3 ARG A 71 30.697 8.199 -20.266 1.00 41.20 H new ATOM 0 HE ARG A 71 31.763 9.376 -22.722 1.00 74.01 H new ATOM 0 HH11 ARG A 71 32.325 8.785 -19.287 1.00 63.40 H new ATOM 0 HH12 ARG A 71 33.423 10.158 -19.113 1.00 63.40 H new ATOM 0 HH21 ARG A 71 33.174 11.137 -22.491 1.00 11.25 H new ATOM 0 HH22 ARG A 71 33.902 11.484 -20.919 1.00 11.25 H new