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 109:sc= 0.212 USER MOD Set 1.2: A 67 CYS SG : rot 180:sc= 0.838 USER MOD Single : A 3 SER OG : rot -51:sc= 0.582 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=-0.021) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 19 GLN : amide:sc= -0.358 K(o=-0.36,f=-1.3) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0438 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 111:sc= 0.811 USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 5.224 4.422 -2.026 1.00 73.32 N ATOM 26 CA SER A 3 5.579 5.063 -3.287 1.00 1.14 C ATOM 27 C SER A 3 6.532 4.186 -4.093 1.00 30.32 C ATOM 28 O SER A 3 7.411 4.687 -4.794 1.00 73.23 O ATOM 29 CB SER A 3 6.221 6.427 -3.026 1.00 52.20 C ATOM 30 OG SER A 3 6.399 7.146 -4.234 1.00 63.01 O ATOM 0 HA SER A 3 4.666 5.203 -3.865 1.00 1.14 H new ATOM 0 HB2 SER A 3 5.594 7.003 -2.345 1.00 52.20 H new ATOM 0 HB3 SER A 3 7.184 6.291 -2.535 1.00 52.20 H new ATOM 0 HG SER A 3 6.853 6.576 -4.890 1.00 63.01 H new ATOM 36 N TRP A 4 6.351 2.874 -3.987 1.00 11.42 N ATOM 37 CA TRP A 4 7.194 1.926 -4.706 1.00 22.04 C ATOM 38 C TRP A 4 6.898 1.959 -6.201 1.00 32.52 C ATOM 39 O TRP A 4 7.792 1.767 -7.024 1.00 71.23 O ATOM 40 CB TRP A 4 6.984 0.512 -4.162 1.00 64.32 C ATOM 41 CG TRP A 4 7.480 -0.559 -5.086 1.00 60.32 C ATOM 42 CD1 TRP A 4 6.801 -1.120 -6.130 1.00 41.53 C ATOM 43 CD2 TRP A 4 8.760 -1.200 -5.047 1.00 50.44 C ATOM 44 NE1 TRP A 4 7.582 -2.070 -6.743 1.00 50.30 N ATOM 45 CE2 TRP A 4 8.789 -2.137 -6.098 1.00 74.32 C ATOM 46 CE3 TRP A 4 9.885 -1.071 -4.229 1.00 2.20 C ATOM 47 CZ2 TRP A 4 9.898 -2.941 -6.349 1.00 11.44 C ATOM 48 CZ3 TRP A 4 10.985 -1.869 -4.479 1.00 23.04 C ATOM 49 CH2 TRP A 4 10.986 -2.794 -5.532 1.00 13.45 C ATOM 0 H TRP A 4 5.628 2.443 -3.410 1.00 11.42 H new ATOM 0 HA TRP A 4 8.234 2.215 -4.555 1.00 22.04 H new ATOM 0 HB2 TRP A 4 7.494 0.420 -3.203 1.00 64.32 H new ATOM 0 HB3 TRP A 4 5.922 0.357 -3.974 1.00 64.32 H new ATOM 0 HD1 TRP A 4 5.798 -0.856 -6.430 1.00 41.53 H new ATOM 0 HE1 TRP A 4 7.308 -2.634 -7.548 1.00 50.30 H new ATOM 0 HE3 TRP A 4 9.895 -0.360 -3.416 1.00 2.20 H new ATOM 0 HZ2 TRP A 4 9.899 -3.655 -7.159 1.00 11.44 H new ATOM 0 HZ3 TRP A 4 11.860 -1.778 -3.852 1.00 23.04 H new ATOM 0 HH2 TRP A 4 11.862 -3.402 -5.702 1.00 13.45 H new ATOM 60 N ALA A 5 5.638 2.203 -6.545 1.00 35.42 N ATOM 61 CA ALA A 5 5.225 2.262 -7.941 1.00 53.44 C ATOM 62 C ALA A 5 6.043 3.292 -8.712 1.00 45.33 C ATOM 63 O ALA A 5 6.599 2.992 -9.768 1.00 63.31 O ATOM 64 CB ALA A 5 3.741 2.584 -8.040 1.00 12.12 C ATOM 0 H ALA A 5 4.885 2.363 -5.875 1.00 35.42 H new ATOM 0 HA ALA A 5 5.404 1.284 -8.388 1.00 53.44 H new ATOM 0 HB1 ALA A 5 3.447 2.625 -9.089 1.00 12.12 H new ATOM 0 HB2 ALA A 5 3.166 1.810 -7.532 1.00 12.12 H new ATOM 0 HB3 ALA A 5 3.546 3.548 -7.571 1.00 12.12 H new ATOM 70 N GLU A 6 6.112 4.507 -8.178 1.00 4.45 N ATOM 71 CA GLU A 6 6.863 5.582 -8.818 1.00 34.44 C ATOM 72 C GLU A 6 8.330 5.197 -8.981 1.00 43.54 C ATOM 73 O GLU A 6 8.894 5.305 -10.071 1.00 31.13 O ATOM 74 CB GLU A 6 6.749 6.870 -8.000 1.00 44.12 C ATOM 75 CG GLU A 6 6.315 8.074 -8.819 1.00 12.11 C ATOM 76 CD GLU A 6 4.847 8.406 -8.634 1.00 72.15 C ATOM 77 OE1 GLU A 6 4.011 7.487 -8.763 1.00 32.12 O ATOM 78 OE2 GLU A 6 4.534 9.584 -8.362 1.00 72.42 O ATOM 0 H GLU A 6 5.657 4.772 -7.304 1.00 4.45 H new ATOM 0 HA GLU A 6 6.438 5.750 -9.807 1.00 34.44 H new ATOM 0 HB2 GLU A 6 6.035 6.715 -7.191 1.00 44.12 H new ATOM 0 HB3 GLU A 6 7.713 7.084 -7.538 1.00 44.12 H new ATOM 0 HG2 GLU A 6 6.917 8.937 -8.536 1.00 12.11 H new ATOM 0 HG3 GLU A 6 6.510 7.881 -9.874 1.00 12.11 H new ATOM 85 N PHE A 7 8.944 4.750 -7.891 1.00 31.21 N ATOM 86 CA PHE A 7 10.346 4.351 -7.912 1.00 44.00 C ATOM 87 C PHE A 7 10.572 3.207 -8.896 1.00 73.11 C ATOM 88 O PHE A 7 11.619 3.121 -9.537 1.00 62.04 O ATOM 89 CB PHE A 7 10.801 3.932 -6.512 1.00 75.34 C ATOM 90 CG PHE A 7 11.387 5.058 -5.710 1.00 31.10 C ATOM 91 CD1 PHE A 7 10.622 6.166 -5.385 1.00 12.23 C ATOM 92 CD2 PHE A 7 12.704 5.008 -5.281 1.00 53.45 C ATOM 93 CE1 PHE A 7 11.158 7.204 -4.646 1.00 42.22 C ATOM 94 CE2 PHE A 7 13.245 6.043 -4.542 1.00 64.04 C ATOM 95 CZ PHE A 7 12.472 7.143 -4.225 1.00 62.34 C ATOM 0 H PHE A 7 8.492 4.655 -6.981 1.00 31.21 H new ATOM 0 HA PHE A 7 10.936 5.208 -8.237 1.00 44.00 H new ATOM 0 HB2 PHE A 7 9.951 3.516 -5.972 1.00 75.34 H new ATOM 0 HB3 PHE A 7 11.541 3.137 -6.602 1.00 75.34 H new ATOM 0 HD1 PHE A 7 9.594 6.220 -5.713 1.00 12.23 H new ATOM 0 HD2 PHE A 7 13.314 4.151 -5.527 1.00 53.45 H new ATOM 0 HE1 PHE A 7 10.550 8.062 -4.398 1.00 42.22 H new ATOM 0 HE2 PHE A 7 14.272 5.992 -4.212 1.00 64.04 H new ATOM 0 HZ PHE A 7 12.894 7.953 -3.649 1.00 62.34 H new ATOM 105 N LYS A 8 9.581 2.329 -9.010 1.00 20.31 N ATOM 106 CA LYS A 8 9.668 1.189 -9.915 1.00 43.24 C ATOM 107 C LYS A 8 9.674 1.649 -11.370 1.00 12.03 C ATOM 108 O LYS A 8 10.460 1.161 -12.181 1.00 21.32 O ATOM 109 CB LYS A 8 8.499 0.231 -9.677 1.00 11.33 C ATOM 110 CG LYS A 8 8.543 -1.012 -10.549 1.00 2.34 C ATOM 111 CD LYS A 8 8.737 -2.269 -9.718 1.00 33.14 C ATOM 112 CE LYS A 8 9.735 -3.216 -10.364 1.00 64.45 C ATOM 113 NZ LYS A 8 9.362 -4.643 -10.157 1.00 15.12 N ATOM 0 H LYS A 8 8.708 2.385 -8.486 1.00 20.31 H new ATOM 0 HA LYS A 8 10.603 0.667 -9.713 1.00 43.24 H new ATOM 0 HB2 LYS A 8 8.495 -0.070 -8.630 1.00 11.33 H new ATOM 0 HB3 LYS A 8 7.564 0.760 -9.860 1.00 11.33 H new ATOM 0 HG2 LYS A 8 7.617 -1.091 -11.119 1.00 2.34 H new ATOM 0 HG3 LYS A 8 9.355 -0.923 -11.271 1.00 2.34 H new ATOM 0 HD2 LYS A 8 9.085 -1.997 -8.721 1.00 33.14 H new ATOM 0 HD3 LYS A 8 7.780 -2.776 -9.595 1.00 33.14 H new ATOM 0 HE2 LYS A 8 9.794 -3.008 -11.432 1.00 64.45 H new ATOM 0 HE3 LYS A 8 10.727 -3.036 -9.949 1.00 64.45 H new ATOM 0 HZ1 LYS A 8 10.068 -5.256 -10.613 1.00 15.12 H new ATOM 0 HZ2 LYS A 8 9.331 -4.849 -9.138 1.00 15.12 H new ATOM 0 HZ3 LYS A 8 8.427 -4.822 -10.575 1.00 15.12 H new ATOM 127 N GLN A 9 8.793 2.591 -11.691 1.00 43.31 N ATOM 128 CA GLN A 9 8.698 3.117 -13.048 1.00 25.31 C ATOM 129 C GLN A 9 9.984 3.835 -13.445 1.00 21.24 C ATOM 130 O GLN A 9 10.617 3.489 -14.443 1.00 11.44 O ATOM 131 CB GLN A 9 7.510 4.072 -13.166 1.00 14.04 C ATOM 132 CG GLN A 9 6.786 3.982 -14.500 1.00 25.03 C ATOM 133 CD GLN A 9 7.024 5.197 -15.375 1.00 74.42 C ATOM 134 OE1 GLN A 9 6.648 6.315 -15.021 1.00 21.52 O ATOM 135 NE2 GLN A 9 7.650 4.984 -16.527 1.00 20.35 N ATOM 0 H GLN A 9 8.135 3.005 -11.031 1.00 43.31 H new ATOM 0 HA GLN A 9 8.548 2.277 -13.726 1.00 25.31 H new ATOM 0 HB2 GLN A 9 6.803 3.860 -12.364 1.00 14.04 H new ATOM 0 HB3 GLN A 9 7.860 5.094 -13.021 1.00 14.04 H new ATOM 0 HG2 GLN A 9 7.116 3.088 -15.029 1.00 25.03 H new ATOM 0 HG3 GLN A 9 5.716 3.871 -14.322 1.00 25.03 H new ATOM 0 HE21 GLN A 9 7.944 4.041 -16.781 1.00 20.35 H new ATOM 0 HE22 GLN A 9 7.836 5.764 -17.158 1.00 20.35 H new ATOM 144 N ARG A 10 10.364 4.836 -12.657 1.00 63.41 N ATOM 145 CA ARG A 10 11.574 5.603 -12.927 1.00 52.43 C ATOM 146 C ARG A 10 12.791 4.688 -13.013 1.00 63.32 C ATOM 147 O ARG A 10 13.629 4.833 -13.904 1.00 61.35 O ATOM 148 CB ARG A 10 11.790 6.656 -11.838 1.00 75.40 C ATOM 149 CG ARG A 10 10.688 7.701 -11.774 1.00 72.21 C ATOM 150 CD ARG A 10 10.174 7.882 -10.355 1.00 12.45 C ATOM 151 NE ARG A 10 10.643 9.130 -9.758 1.00 23.12 N ATOM 152 CZ ARG A 10 10.251 10.332 -10.164 1.00 43.24 C ATOM 153 NH1 ARG A 10 9.387 10.449 -11.163 1.00 64.25 N ATOM 154 NH2 ARG A 10 10.723 11.421 -9.571 1.00 43.21 N ATOM 0 H ARG A 10 9.852 5.134 -11.827 1.00 63.41 H new ATOM 0 HA ARG A 10 11.449 6.103 -13.887 1.00 52.43 H new ATOM 0 HB2 ARG A 10 11.863 6.157 -10.872 1.00 75.40 H new ATOM 0 HB3 ARG A 10 12.743 7.156 -12.011 1.00 75.40 H new ATOM 0 HG2 ARG A 10 11.065 8.652 -12.150 1.00 72.21 H new ATOM 0 HG3 ARG A 10 9.866 7.404 -12.425 1.00 72.21 H new ATOM 0 HD2 ARG A 10 9.084 7.870 -10.360 1.00 12.45 H new ATOM 0 HD3 ARG A 10 10.500 7.042 -9.742 1.00 12.45 H new ATOM 0 HE ARG A 10 11.308 9.075 -8.987 1.00 23.12 H new ATOM 0 HH11 ARG A 10 9.022 9.614 -11.622 1.00 64.25 H new ATOM 0 HH12 ARG A 10 9.088 11.374 -11.473 1.00 64.25 H new ATOM 0 HH21 ARG A 10 11.388 11.336 -8.802 1.00 43.21 H new ATOM 0 HH22 ARG A 10 10.421 12.344 -9.884 1.00 43.21 H new ATOM 168 N LEU A 11 12.883 3.745 -12.081 1.00 41.44 N ATOM 169 CA LEU A 11 13.998 2.806 -12.051 1.00 24.41 C ATOM 170 C LEU A 11 14.018 1.943 -13.308 1.00 71.44 C ATOM 171 O LEU A 11 15.080 1.653 -13.858 1.00 41.11 O ATOM 172 CB LEU A 11 13.908 1.916 -10.810 1.00 12.24 C ATOM 173 CG LEU A 11 14.932 0.784 -10.719 1.00 11.44 C ATOM 174 CD1 LEU A 11 15.463 0.658 -9.299 1.00 74.51 C ATOM 175 CD2 LEU A 11 14.317 -0.529 -11.180 1.00 24.23 C ATOM 0 H LEU A 11 12.199 3.611 -11.337 1.00 41.44 H new ATOM 0 HA LEU A 11 14.923 3.381 -12.013 1.00 24.41 H new ATOM 0 HB2 LEU A 11 14.014 2.546 -9.927 1.00 12.24 H new ATOM 0 HB3 LEU A 11 12.910 1.480 -10.772 1.00 12.24 H new ATOM 0 HG LEU A 11 15.768 1.021 -11.377 1.00 11.44 H new ATOM 0 HD11 LEU A 11 16.190 -0.152 -9.253 1.00 74.51 H new ATOM 0 HD12 LEU A 11 15.942 1.592 -9.005 1.00 74.51 H new ATOM 0 HD13 LEU A 11 14.638 0.444 -8.620 1.00 74.51 H new ATOM 0 HD21 LEU A 11 15.060 -1.324 -11.109 1.00 24.23 H new ATOM 0 HD22 LEU A 11 13.463 -0.773 -10.548 1.00 24.23 H new ATOM 0 HD23 LEU A 11 13.987 -0.433 -12.214 1.00 24.23 H new ATOM 187 N ALA A 12 12.836 1.537 -13.760 1.00 35.44 N ATOM 188 CA ALA A 12 12.716 0.711 -14.955 1.00 25.44 C ATOM 189 C ALA A 12 13.198 1.462 -16.191 1.00 75.14 C ATOM 190 O ALA A 12 13.920 0.911 -17.022 1.00 1.44 O ATOM 191 CB ALA A 12 11.277 0.254 -15.139 1.00 60.50 C ATOM 0 H ALA A 12 11.947 1.767 -13.316 1.00 35.44 H new ATOM 0 HA ALA A 12 13.349 -0.167 -14.826 1.00 25.44 H new ATOM 0 HB1 ALA A 12 11.203 -0.362 -16.035 1.00 60.50 H new ATOM 0 HB2 ALA A 12 10.967 -0.329 -14.272 1.00 60.50 H new ATOM 0 HB3 ALA A 12 10.629 1.124 -15.242 1.00 60.50 H new ATOM 197 N ALA A 13 12.791 2.722 -16.308 1.00 23.12 N ATOM 198 CA ALA A 13 13.182 3.549 -17.443 1.00 23.32 C ATOM 199 C ALA A 13 14.687 3.798 -17.448 1.00 73.33 C ATOM 200 O ALA A 13 15.324 3.783 -18.502 1.00 32.11 O ATOM 201 CB ALA A 13 12.427 4.869 -17.419 1.00 11.32 C ATOM 0 H ALA A 13 12.191 3.192 -15.631 1.00 23.12 H new ATOM 0 HA ALA A 13 12.926 3.013 -18.357 1.00 23.32 H new ATOM 0 HB1 ALA A 13 12.729 5.476 -18.272 1.00 11.32 H new ATOM 0 HB2 ALA A 13 11.355 4.676 -17.472 1.00 11.32 H new ATOM 0 HB3 ALA A 13 12.655 5.402 -16.496 1.00 11.32 H new ATOM 207 N ILE A 14 15.248 4.027 -16.266 1.00 20.20 N ATOM 208 CA ILE A 14 16.678 4.279 -16.136 1.00 32.44 C ATOM 209 C ILE A 14 17.490 3.043 -16.508 1.00 32.32 C ATOM 210 O ILE A 14 18.504 3.137 -17.200 1.00 12.22 O ATOM 211 CB ILE A 14 17.045 4.708 -14.703 1.00 45.42 C ATOM 212 CG1 ILE A 14 16.388 6.048 -14.365 1.00 32.24 C ATOM 213 CG2 ILE A 14 18.556 4.800 -14.549 1.00 23.00 C ATOM 214 CD1 ILE A 14 16.294 6.317 -12.879 1.00 23.41 C ATOM 0 H ILE A 14 14.735 4.043 -15.385 1.00 20.20 H new ATOM 0 HA ILE A 14 16.920 5.090 -16.823 1.00 32.44 H new ATOM 0 HB ILE A 14 16.673 3.956 -14.007 1.00 45.42 H new ATOM 0 HG12 ILE A 14 16.955 6.851 -14.836 1.00 32.24 H new ATOM 0 HG13 ILE A 14 15.386 6.071 -14.794 1.00 32.24 H new ATOM 0 HG21 ILE A 14 18.800 5.104 -13.531 1.00 23.00 H new ATOM 0 HG22 ILE A 14 19.003 3.827 -14.754 1.00 23.00 H new ATOM 0 HG23 ILE A 14 18.949 5.535 -15.251 1.00 23.00 H new ATOM 0 HD11 ILE A 14 15.818 7.284 -12.714 1.00 23.41 H new ATOM 0 HD12 ILE A 14 15.702 5.535 -12.404 1.00 23.41 H new ATOM 0 HD13 ILE A 14 17.295 6.327 -12.447 1.00 23.41 H new ATOM 226 N LYS A 15 17.037 1.882 -16.045 1.00 55.54 N ATOM 227 CA LYS A 15 17.718 0.626 -16.331 1.00 71.53 C ATOM 228 C LYS A 15 17.611 0.273 -17.812 1.00 3.34 C ATOM 229 O LYS A 15 18.575 -0.190 -18.422 1.00 25.24 O ATOM 230 CB LYS A 15 17.127 -0.503 -15.484 1.00 34.23 C ATOM 231 CG LYS A 15 18.135 -1.575 -15.110 1.00 23.52 C ATOM 232 CD LYS A 15 17.705 -2.944 -15.609 1.00 71.45 C ATOM 233 CE LYS A 15 16.783 -3.636 -14.616 1.00 44.24 C ATOM 234 NZ LYS A 15 16.685 -5.099 -14.876 1.00 43.24 N ATOM 0 H LYS A 15 16.200 1.786 -15.470 1.00 55.54 H new ATOM 0 HA LYS A 15 18.772 0.748 -16.079 1.00 71.53 H new ATOM 0 HB2 LYS A 15 16.705 -0.079 -14.573 1.00 34.23 H new ATOM 0 HB3 LYS A 15 16.305 -0.964 -16.031 1.00 34.23 H new ATOM 0 HG2 LYS A 15 19.108 -1.323 -15.531 1.00 23.52 H new ATOM 0 HG3 LYS A 15 18.253 -1.602 -14.027 1.00 23.52 H new ATOM 0 HD2 LYS A 15 17.196 -2.840 -16.567 1.00 71.45 H new ATOM 0 HD3 LYS A 15 18.586 -3.563 -15.781 1.00 71.45 H new ATOM 0 HE2 LYS A 15 17.151 -3.471 -13.603 1.00 44.24 H new ATOM 0 HE3 LYS A 15 15.790 -3.190 -14.671 1.00 44.24 H new ATOM 0 HZ1 LYS A 15 16.048 -5.534 -14.178 1.00 43.24 H new ATOM 0 HZ2 LYS A 15 16.310 -5.257 -15.833 1.00 43.24 H new ATOM 0 HZ3 LYS A 15 17.629 -5.529 -14.798 1.00 43.24 H new ATOM 248 N THR A 16 16.433 0.497 -18.385 1.00 40.23 N ATOM 249 CA THR A 16 16.201 0.204 -19.794 1.00 33.12 C ATOM 250 C THR A 16 17.099 1.051 -20.687 1.00 41.54 C ATOM 251 O THR A 16 17.797 0.529 -21.556 1.00 62.23 O ATOM 252 CB THR A 16 14.731 0.448 -20.184 1.00 13.35 C ATOM 253 OG1 THR A 16 13.871 -0.384 -19.397 1.00 14.41 O ATOM 254 CG2 THR A 16 14.508 0.163 -21.661 1.00 71.01 C ATOM 0 H THR A 16 15.625 0.880 -17.895 1.00 40.23 H new ATOM 0 HA THR A 16 16.438 -0.850 -19.941 1.00 33.12 H new ATOM 0 HB THR A 16 14.497 1.495 -19.993 1.00 13.35 H new ATOM 0 HG1 THR A 16 13.815 -0.027 -18.486 1.00 14.41 H new ATOM 0 HG21 THR A 16 13.463 0.342 -21.912 1.00 71.01 H new ATOM 0 HG22 THR A 16 15.142 0.818 -22.258 1.00 71.01 H new ATOM 0 HG23 THR A 16 14.759 -0.876 -21.873 1.00 71.01 H new ATOM 262 N ARG A 17 17.077 2.362 -20.468 1.00 1.11 N ATOM 263 CA ARG A 17 17.890 3.282 -21.254 1.00 51.13 C ATOM 264 C ARG A 17 19.376 3.047 -21.001 1.00 41.02 C ATOM 265 O ARG A 17 20.205 3.238 -21.892 1.00 24.43 O ATOM 266 CB ARG A 17 17.527 4.730 -20.920 1.00 4.24 C ATOM 267 CG ARG A 17 16.363 5.270 -21.734 1.00 11.25 C ATOM 268 CD ARG A 17 15.033 4.737 -21.224 1.00 52.24 C ATOM 269 NE ARG A 17 13.934 5.047 -22.135 1.00 41.14 N ATOM 270 CZ ARG A 17 13.417 6.262 -22.276 1.00 52.43 C ATOM 271 NH1 ARG A 17 13.896 7.277 -21.570 1.00 24.44 N ATOM 272 NH2 ARG A 17 12.418 6.465 -23.126 1.00 10.31 N ATOM 0 H ARG A 17 16.505 2.811 -19.753 1.00 1.11 H new ATOM 0 HA ARG A 17 17.685 3.098 -22.309 1.00 51.13 H new ATOM 0 HB2 ARG A 17 17.281 4.799 -19.860 1.00 4.24 H new ATOM 0 HB3 ARG A 17 18.399 5.362 -21.086 1.00 4.24 H new ATOM 0 HG2 ARG A 17 16.361 6.359 -21.690 1.00 11.25 H new ATOM 0 HG3 ARG A 17 16.490 4.993 -22.781 1.00 11.25 H new ATOM 0 HD2 ARG A 17 15.101 3.657 -21.093 1.00 52.24 H new ATOM 0 HD3 ARG A 17 14.823 5.165 -20.244 1.00 52.24 H new ATOM 0 HE ARG A 17 13.542 4.289 -22.693 1.00 41.14 H new ATOM 0 HH11 ARG A 17 14.664 7.126 -20.916 1.00 24.44 H new ATOM 0 HH12 ARG A 17 13.496 8.209 -21.681 1.00 24.44 H new ATOM 0 HH21 ARG A 17 12.047 5.687 -23.672 1.00 10.31 H new ATOM 0 HH22 ARG A 17 12.022 7.399 -23.234 1.00 10.31 H new ATOM 286 N CYS A 18 19.705 2.633 -19.783 1.00 0.03 N ATOM 287 CA CYS A 18 21.092 2.373 -19.412 1.00 14.13 C ATOM 288 C CYS A 18 21.593 1.084 -20.053 1.00 65.42 C ATOM 289 O CYS A 18 22.732 1.012 -20.515 1.00 72.11 O ATOM 290 CB CYS A 18 21.227 2.287 -17.891 1.00 32.32 C ATOM 291 SG CYS A 18 22.816 1.635 -17.327 1.00 21.32 S ATOM 0 H CYS A 18 19.031 2.470 -19.035 1.00 0.03 H new ATOM 0 HA CYS A 18 21.702 3.200 -19.777 1.00 14.13 H new ATOM 0 HB2 CYS A 18 21.083 3.281 -17.467 1.00 32.32 H new ATOM 0 HB3 CYS A 18 20.428 1.656 -17.501 1.00 32.32 H new ATOM 0 HG CYS A 18 23.511 2.592 -16.789 1.00 21.32 H new ATOM 297 N GLN A 19 20.737 0.068 -20.076 1.00 32.31 N ATOM 298 CA GLN A 19 21.095 -1.220 -20.659 1.00 31.04 C ATOM 299 C GLN A 19 21.159 -1.130 -22.180 1.00 30.33 C ATOM 300 O GLN A 19 21.974 -1.797 -22.817 1.00 3.43 O ATOM 301 CB GLN A 19 20.086 -2.291 -20.241 1.00 54.11 C ATOM 302 CG GLN A 19 20.090 -2.583 -18.749 1.00 43.42 C ATOM 303 CD GLN A 19 20.641 -3.957 -18.425 1.00 71.40 C ATOM 304 OE1 GLN A 19 20.053 -4.706 -17.643 1.00 44.41 O ATOM 305 NE2 GLN A 19 21.775 -4.298 -19.026 1.00 31.00 N ATOM 0 H GLN A 19 19.791 0.111 -19.698 1.00 32.31 H new ATOM 0 HA GLN A 19 22.082 -1.497 -20.288 1.00 31.04 H new ATOM 0 HB2 GLN A 19 19.087 -1.972 -20.537 1.00 54.11 H new ATOM 0 HB3 GLN A 19 20.301 -3.212 -20.783 1.00 54.11 H new ATOM 0 HG2 GLN A 19 20.685 -1.827 -18.236 1.00 43.42 H new ATOM 0 HG3 GLN A 19 19.073 -2.503 -18.364 1.00 43.42 H new ATOM 0 HE21 GLN A 19 22.229 -3.647 -19.667 1.00 31.00 H new ATOM 0 HE22 GLN A 19 22.192 -5.211 -18.847 1.00 31.00 H new ATOM 314 N ALA A 20 20.293 -0.303 -22.756 1.00 3.53 N ATOM 315 CA ALA A 20 20.253 -0.125 -24.202 1.00 11.42 C ATOM 316 C ALA A 20 21.288 0.898 -24.658 1.00 61.23 C ATOM 317 O ALA A 20 21.813 0.811 -25.769 1.00 44.22 O ATOM 318 CB ALA A 20 18.860 0.299 -24.643 1.00 13.23 C ATOM 0 H ALA A 20 19.610 0.254 -22.243 1.00 3.53 H new ATOM 0 HA ALA A 20 20.495 -1.080 -24.668 1.00 11.42 H new ATOM 0 HB1 ALA A 20 18.845 0.428 -25.725 1.00 13.23 H new ATOM 0 HB2 ALA A 20 18.139 -0.468 -24.359 1.00 13.23 H new ATOM 0 HB3 ALA A 20 18.597 1.241 -24.161 1.00 13.23 H new ATOM 324 N LEU A 21 21.577 1.866 -23.796 1.00 31.23 N ATOM 325 CA LEU A 21 22.550 2.906 -24.111 1.00 12.22 C ATOM 326 C LEU A 21 22.200 3.600 -25.423 1.00 75.24 C ATOM 327 O LEU A 21 22.882 3.424 -26.432 1.00 3.25 O ATOM 328 CB LEU A 21 23.955 2.309 -24.196 1.00 24.23 C ATOM 329 CG LEU A 21 24.590 1.896 -22.867 1.00 65.45 C ATOM 330 CD1 LEU A 21 25.982 1.326 -23.095 1.00 41.35 C ATOM 331 CD2 LEU A 21 24.646 3.079 -21.912 1.00 61.30 C ATOM 0 H LEU A 21 21.151 1.953 -22.873 1.00 31.23 H new ATOM 0 HA LEU A 21 22.524 3.646 -23.312 1.00 12.22 H new ATOM 0 HB2 LEU A 21 23.918 1.434 -24.845 1.00 24.23 H new ATOM 0 HB3 LEU A 21 24.609 3.036 -24.678 1.00 24.23 H new ATOM 0 HG LEU A 21 23.971 1.120 -22.416 1.00 65.45 H new ATOM 0 HD11 LEU A 21 26.418 1.038 -22.139 1.00 41.35 H new ATOM 0 HD12 LEU A 21 25.916 0.451 -23.742 1.00 41.35 H new ATOM 0 HD13 LEU A 21 26.611 2.080 -23.568 1.00 41.35 H new ATOM 0 HD21 LEU A 21 25.101 2.767 -20.972 1.00 61.30 H new ATOM 0 HD22 LEU A 21 25.242 3.877 -22.356 1.00 61.30 H new ATOM 0 HD23 LEU A 21 23.636 3.442 -21.723 1.00 61.30 H new ATOM 343 N GLY A 22 21.131 4.391 -25.402 1.00 72.32 N ATOM 344 CA GLY A 22 20.710 5.101 -26.596 1.00 32.32 C ATOM 345 C GLY A 22 21.856 5.822 -27.277 1.00 24.55 C ATOM 346 O GLY A 22 21.858 5.987 -28.496 1.00 4.45 O ATOM 0 H GLY A 22 20.549 4.553 -24.580 1.00 72.32 H new ATOM 0 HA2 GLY A 22 20.262 4.395 -27.296 1.00 32.32 H new ATOM 0 HA3 GLY A 22 19.937 5.822 -26.332 1.00 32.32 H new ATOM 393 N GLU A 27 22.998 11.105 -20.724 1.00 33.02 N ATOM 394 CA GLU A 27 22.033 10.122 -20.245 1.00 21.13 C ATOM 395 C GLU A 27 22.648 9.239 -19.163 1.00 21.41 C ATOM 396 O GLU A 27 22.080 9.076 -18.082 1.00 41.12 O ATOM 397 CB GLU A 27 21.536 9.256 -21.404 1.00 33.11 C ATOM 398 CG GLU A 27 20.455 9.920 -22.240 1.00 14.32 C ATOM 399 CD GLU A 27 20.013 9.063 -23.410 1.00 41.33 C ATOM 400 OE1 GLU A 27 19.940 7.827 -23.246 1.00 12.54 O ATOM 401 OE2 GLU A 27 19.741 9.628 -24.490 1.00 62.24 O ATOM 0 HA GLU A 27 21.188 10.660 -19.814 1.00 21.13 H new ATOM 0 HB2 GLU A 27 22.379 9.007 -22.048 1.00 33.11 H new ATOM 0 HB3 GLU A 27 21.150 8.317 -21.006 1.00 33.11 H new ATOM 0 HG2 GLU A 27 19.594 10.137 -21.608 1.00 14.32 H new ATOM 0 HG3 GLU A 27 20.825 10.875 -22.613 1.00 14.32 H new ATOM 408 N CYS A 28 23.811 8.670 -19.462 1.00 11.40 N ATOM 409 CA CYS A 28 24.503 7.802 -18.516 1.00 42.12 C ATOM 410 C CYS A 28 24.728 8.516 -17.187 1.00 34.50 C ATOM 411 O CYS A 28 24.492 7.949 -16.120 1.00 3.41 O ATOM 412 CB CYS A 28 25.843 7.346 -19.097 1.00 13.32 C ATOM 413 SG CYS A 28 25.720 6.603 -20.740 1.00 42.05 S ATOM 0 H CYS A 28 24.294 8.794 -20.352 1.00 11.40 H new ATOM 0 HA CYS A 28 23.876 6.928 -18.337 1.00 42.12 H new ATOM 0 HB2 CYS A 28 26.516 8.202 -19.147 1.00 13.32 H new ATOM 0 HB3 CYS A 28 26.295 6.624 -18.417 1.00 13.32 H new ATOM 0 HG CYS A 28 26.904 6.252 -21.147 1.00 42.05 H new ATOM 419 N ALA A 29 25.186 9.761 -17.260 1.00 34.03 N ATOM 420 CA ALA A 29 25.442 10.552 -16.062 1.00 73.14 C ATOM 421 C ALA A 29 24.163 10.759 -15.258 1.00 1.34 C ATOM 422 O ALA A 29 24.150 10.584 -14.040 1.00 31.13 O ATOM 423 CB ALA A 29 26.055 11.893 -16.437 1.00 23.11 C ATOM 0 H ALA A 29 25.387 10.244 -18.136 1.00 34.03 H new ATOM 0 HA ALA A 29 26.148 10.004 -15.438 1.00 73.14 H new ATOM 0 HB1 ALA A 29 26.241 12.473 -15.533 1.00 23.11 H new ATOM 0 HB2 ALA A 29 26.996 11.729 -16.963 1.00 23.11 H new ATOM 0 HB3 ALA A 29 25.368 12.439 -17.084 1.00 23.11 H new ATOM 429 N ALA A 30 23.090 11.134 -15.946 1.00 42.34 N ATOM 430 CA ALA A 30 21.806 11.364 -15.295 1.00 45.34 C ATOM 431 C ALA A 30 21.337 10.118 -14.552 1.00 52.43 C ATOM 432 O ALA A 30 20.753 10.211 -13.472 1.00 72.43 O ATOM 433 CB ALA A 30 20.766 11.795 -16.318 1.00 73.13 C ATOM 0 H ALA A 30 23.084 11.285 -16.955 1.00 42.34 H new ATOM 0 HA ALA A 30 21.934 12.163 -14.565 1.00 45.34 H new ATOM 0 HB1 ALA A 30 19.812 11.963 -15.818 1.00 73.13 H new ATOM 0 HB2 ALA A 30 21.091 12.717 -16.801 1.00 73.13 H new ATOM 0 HB3 ALA A 30 20.649 11.014 -17.069 1.00 73.13 H new ATOM 439 N PHE A 31 21.595 8.954 -15.138 1.00 34.54 N ATOM 440 CA PHE A 31 21.196 7.688 -14.531 1.00 44.53 C ATOM 441 C PHE A 31 21.995 7.420 -13.259 1.00 12.11 C ATOM 442 O PHE A 31 21.428 7.104 -12.214 1.00 34.23 O ATOM 443 CB PHE A 31 21.393 6.539 -15.522 1.00 42.42 C ATOM 444 CG PHE A 31 20.540 6.656 -16.753 1.00 13.14 C ATOM 445 CD1 PHE A 31 19.222 7.076 -16.661 1.00 24.41 C ATOM 446 CD2 PHE A 31 21.055 6.346 -18.001 1.00 33.30 C ATOM 447 CE1 PHE A 31 18.434 7.184 -17.791 1.00 44.43 C ATOM 448 CE2 PHE A 31 20.272 6.453 -19.135 1.00 13.03 C ATOM 449 CZ PHE A 31 18.960 6.872 -19.030 1.00 34.33 C ATOM 0 H PHE A 31 22.078 8.860 -16.031 1.00 34.54 H new ATOM 0 HA PHE A 31 20.140 7.756 -14.269 1.00 44.53 H new ATOM 0 HB2 PHE A 31 22.441 6.501 -15.818 1.00 42.42 H new ATOM 0 HB3 PHE A 31 21.169 5.597 -15.022 1.00 42.42 H new ATOM 0 HD1 PHE A 31 18.806 7.322 -15.695 1.00 24.41 H new ATOM 0 HD2 PHE A 31 22.080 6.017 -18.089 1.00 33.30 H new ATOM 0 HE1 PHE A 31 17.408 7.512 -17.706 1.00 44.43 H new ATOM 0 HE2 PHE A 31 20.686 6.209 -20.102 1.00 13.03 H new ATOM 0 HZ PHE A 31 18.346 6.956 -19.915 1.00 34.33 H new ATOM 459 N GLU A 32 23.314 7.548 -13.357 1.00 43.51 N ATOM 460 CA GLU A 32 24.191 7.318 -12.215 1.00 14.44 C ATOM 461 C GLU A 32 23.779 8.187 -11.030 1.00 3.54 C ATOM 462 O GLU A 32 23.669 7.707 -9.901 1.00 52.43 O ATOM 463 CB GLU A 32 25.645 7.607 -12.593 1.00 11.54 C ATOM 464 CG GLU A 32 26.642 6.663 -11.942 1.00 40.42 C ATOM 465 CD GLU A 32 28.081 7.038 -12.242 1.00 34.43 C ATOM 466 OE1 GLU A 32 28.321 7.689 -13.279 1.00 41.23 O ATOM 467 OE2 GLU A 32 28.966 6.679 -11.437 1.00 61.33 O ATOM 0 H GLU A 32 23.799 7.810 -14.215 1.00 43.51 H new ATOM 0 HA GLU A 32 24.101 6.271 -11.925 1.00 14.44 H new ATOM 0 HB2 GLU A 32 25.750 7.542 -13.676 1.00 11.54 H new ATOM 0 HB3 GLU A 32 25.889 8.631 -12.310 1.00 11.54 H new ATOM 0 HG2 GLU A 32 26.487 6.665 -10.863 1.00 40.42 H new ATOM 0 HG3 GLU A 32 26.455 5.647 -12.289 1.00 40.42 H new ATOM 474 N LYS A 33 23.554 9.470 -11.294 1.00 62.02 N ATOM 475 CA LYS A 33 23.154 10.408 -10.252 1.00 24.01 C ATOM 476 C LYS A 33 21.765 10.071 -9.721 1.00 14.40 C ATOM 477 O LYS A 33 21.585 9.849 -8.524 1.00 63.02 O ATOM 478 CB LYS A 33 23.173 11.840 -10.791 1.00 71.05 C ATOM 479 CG LYS A 33 24.347 12.663 -10.292 1.00 3.25 C ATOM 480 CD LYS A 33 25.468 12.716 -11.316 1.00 72.15 C ATOM 481 CE LYS A 33 26.091 14.101 -11.390 1.00 42.41 C ATOM 482 NZ LYS A 33 27.422 14.076 -12.058 1.00 11.10 N ATOM 0 H LYS A 33 23.642 9.884 -12.222 1.00 62.02 H new ATOM 0 HA LYS A 33 23.867 10.326 -9.431 1.00 24.01 H new ATOM 0 HB2 LYS A 33 23.199 11.809 -11.880 1.00 71.05 H new ATOM 0 HB3 LYS A 33 22.245 12.338 -10.509 1.00 71.05 H new ATOM 0 HG2 LYS A 33 24.012 13.675 -10.065 1.00 3.25 H new ATOM 0 HG3 LYS A 33 24.723 12.236 -9.362 1.00 3.25 H new ATOM 0 HD2 LYS A 33 26.234 11.985 -11.057 1.00 72.15 H new ATOM 0 HD3 LYS A 33 25.080 12.438 -12.296 1.00 72.15 H new ATOM 0 HE2 LYS A 33 25.424 14.770 -11.934 1.00 42.41 H new ATOM 0 HE3 LYS A 33 26.197 14.506 -10.383 1.00 42.41 H new ATOM 0 HZ1 LYS A 33 27.813 15.039 -12.089 1.00 11.10 H new ATOM 0 HZ2 LYS A 33 28.066 13.457 -11.525 1.00 11.10 H new ATOM 0 HZ3 LYS A 33 27.317 13.714 -13.027 1.00 11.10 H new ATOM 496 N GLU A 34 20.786 10.035 -10.620 1.00 35.25 N ATOM 497 CA GLU A 34 19.412 9.724 -10.240 1.00 3.43 C ATOM 498 C GLU A 34 19.354 8.447 -9.406 1.00 52.52 C ATOM 499 O GLU A 34 18.722 8.412 -8.350 1.00 21.12 O ATOM 500 CB GLU A 34 18.537 9.574 -11.485 1.00 73.15 C ATOM 501 CG GLU A 34 18.244 10.890 -12.187 1.00 24.14 C ATOM 502 CD GLU A 34 17.594 10.697 -13.543 1.00 23.52 C ATOM 503 OE1 GLU A 34 17.206 9.552 -13.858 1.00 3.33 O ATOM 504 OE2 GLU A 34 17.474 11.691 -14.289 1.00 74.42 O ATOM 0 H GLU A 34 20.918 10.217 -11.615 1.00 35.25 H new ATOM 0 HA GLU A 34 19.033 10.549 -9.636 1.00 3.43 H new ATOM 0 HB2 GLU A 34 19.030 8.900 -12.186 1.00 73.15 H new ATOM 0 HB3 GLU A 34 17.594 9.106 -11.202 1.00 73.15 H new ATOM 0 HG2 GLU A 34 17.591 11.495 -11.558 1.00 24.14 H new ATOM 0 HG3 GLU A 34 19.173 11.446 -12.310 1.00 24.14 H new ATOM 511 N ILE A 35 20.016 7.402 -9.889 1.00 71.24 N ATOM 512 CA ILE A 35 20.040 6.123 -9.189 1.00 52.55 C ATOM 513 C ILE A 35 20.677 6.263 -7.811 1.00 45.24 C ATOM 514 O ILE A 35 20.177 5.720 -6.827 1.00 24.11 O ATOM 515 CB ILE A 35 20.807 5.056 -9.992 1.00 44.41 C ATOM 516 CG1 ILE A 35 20.035 4.687 -11.260 1.00 73.10 C ATOM 517 CG2 ILE A 35 21.051 3.823 -9.135 1.00 61.05 C ATOM 518 CD1 ILE A 35 18.739 3.956 -10.987 1.00 12.24 C ATOM 0 H ILE A 35 20.543 7.415 -10.762 1.00 71.24 H new ATOM 0 HA ILE A 35 19.004 5.805 -9.077 1.00 52.55 H new ATOM 0 HB ILE A 35 21.773 5.467 -10.285 1.00 44.41 H new ATOM 0 HG12 ILE A 35 19.819 5.596 -11.821 1.00 73.10 H new ATOM 0 HG13 ILE A 35 20.668 4.064 -11.893 1.00 73.10 H new ATOM 0 HG21 ILE A 35 21.594 3.078 -9.716 1.00 61.05 H new ATOM 0 HG22 ILE A 35 21.638 4.099 -8.259 1.00 61.05 H new ATOM 0 HG23 ILE A 35 20.096 3.408 -8.815 1.00 61.05 H new ATOM 0 HD11 ILE A 35 18.245 3.726 -11.931 1.00 12.24 H new ATOM 0 HD12 ILE A 35 18.949 3.030 -10.453 1.00 12.24 H new ATOM 0 HD13 ILE A 35 18.087 4.585 -10.380 1.00 12.24 H new ATOM 530 N ALA A 36 21.784 6.997 -7.749 1.00 71.20 N ATOM 531 CA ALA A 36 22.488 7.212 -6.491 1.00 61.40 C ATOM 532 C ALA A 36 21.562 7.811 -5.439 1.00 35.14 C ATOM 533 O ALA A 36 21.503 7.334 -4.306 1.00 1.04 O ATOM 534 CB ALA A 36 23.695 8.112 -6.709 1.00 11.31 C ATOM 0 H ALA A 36 22.212 7.452 -8.555 1.00 71.20 H new ATOM 0 HA ALA A 36 22.832 6.244 -6.125 1.00 61.40 H new ATOM 0 HB1 ALA A 36 24.211 8.264 -5.761 1.00 11.31 H new ATOM 0 HB2 ALA A 36 24.374 7.644 -7.421 1.00 11.31 H new ATOM 0 HB3 ALA A 36 23.365 9.074 -7.101 1.00 11.31 H new ATOM 540 N ALA A 37 20.839 8.859 -5.821 1.00 5.25 N ATOM 541 CA ALA A 37 19.915 9.523 -4.910 1.00 32.42 C ATOM 542 C ALA A 37 18.744 8.611 -4.556 1.00 42.50 C ATOM 543 O ALA A 37 18.210 8.672 -3.448 1.00 50.14 O ATOM 544 CB ALA A 37 19.410 10.820 -5.523 1.00 55.11 C ATOM 0 H ALA A 37 20.876 9.266 -6.755 1.00 5.25 H new ATOM 0 HA ALA A 37 20.453 9.754 -3.991 1.00 32.42 H new ATOM 0 HB1 ALA A 37 18.721 11.305 -4.832 1.00 55.11 H new ATOM 0 HB2 ALA A 37 20.253 11.482 -5.719 1.00 55.11 H new ATOM 0 HB3 ALA A 37 18.893 10.604 -6.458 1.00 55.11 H new ATOM 550 N PHE A 38 18.350 7.768 -5.504 1.00 34.21 N ATOM 551 CA PHE A 38 17.241 6.845 -5.293 1.00 35.15 C ATOM 552 C PHE A 38 17.553 5.870 -4.161 1.00 73.43 C ATOM 553 O PHE A 38 16.783 5.740 -3.210 1.00 73.24 O ATOM 554 CB PHE A 38 16.940 6.072 -6.579 1.00 11.43 C ATOM 555 CG PHE A 38 15.627 6.443 -7.208 1.00 3.23 C ATOM 556 CD1 PHE A 38 15.253 7.772 -7.328 1.00 75.30 C ATOM 557 CD2 PHE A 38 14.769 5.463 -7.679 1.00 54.41 C ATOM 558 CE1 PHE A 38 14.045 8.115 -7.906 1.00 11.43 C ATOM 559 CE2 PHE A 38 13.560 5.801 -8.258 1.00 52.11 C ATOM 560 CZ PHE A 38 13.198 7.129 -8.372 1.00 41.14 C ATOM 0 H PHE A 38 18.782 7.705 -6.426 1.00 34.21 H new ATOM 0 HA PHE A 38 16.363 7.429 -5.015 1.00 35.15 H new ATOM 0 HB2 PHE A 38 17.741 6.250 -7.297 1.00 11.43 H new ATOM 0 HB3 PHE A 38 16.940 5.004 -6.360 1.00 11.43 H new ATOM 0 HD1 PHE A 38 15.912 8.548 -6.966 1.00 75.30 H new ATOM 0 HD2 PHE A 38 15.048 4.423 -7.593 1.00 54.41 H new ATOM 0 HE1 PHE A 38 13.764 9.154 -7.993 1.00 11.43 H new ATOM 0 HE2 PHE A 38 12.899 5.028 -8.621 1.00 52.11 H new ATOM 0 HZ PHE A 38 12.254 7.396 -8.825 1.00 41.14 H new ATOM 570 N GLU A 39 18.687 5.186 -4.273 1.00 44.14 N ATOM 571 CA GLU A 39 19.101 4.222 -3.261 1.00 34.51 C ATOM 572 C GLU A 39 19.375 4.914 -1.929 1.00 41.43 C ATOM 573 O GLU A 39 19.036 4.396 -0.866 1.00 32.42 O ATOM 574 CB GLU A 39 20.349 3.467 -3.723 1.00 1.13 C ATOM 575 CG GLU A 39 21.522 4.375 -4.051 1.00 42.22 C ATOM 576 CD GLU A 39 22.720 3.612 -4.582 1.00 61.10 C ATOM 577 OE1 GLU A 39 23.541 3.152 -3.761 1.00 3.41 O ATOM 578 OE2 GLU A 39 22.837 3.474 -5.818 1.00 14.14 O ATOM 0 H GLU A 39 19.335 5.282 -5.055 1.00 44.14 H new ATOM 0 HA GLU A 39 18.287 3.511 -3.120 1.00 34.51 H new ATOM 0 HB2 GLU A 39 20.649 2.767 -2.944 1.00 1.13 H new ATOM 0 HB3 GLU A 39 20.100 2.876 -4.604 1.00 1.13 H new ATOM 0 HG2 GLU A 39 21.210 5.113 -4.790 1.00 42.22 H new ATOM 0 HG3 GLU A 39 21.813 4.924 -3.155 1.00 42.22 H new ATOM 585 N SER A 40 19.992 6.090 -1.997 1.00 24.34 N ATOM 586 CA SER A 40 20.317 6.852 -0.797 1.00 1.40 C ATOM 587 C SER A 40 19.051 7.377 -0.128 1.00 15.43 C ATOM 588 O SER A 40 19.003 7.543 1.091 1.00 62.23 O ATOM 589 CB SER A 40 21.245 8.018 -1.144 1.00 11.41 C ATOM 590 OG SER A 40 21.761 8.626 0.028 1.00 72.31 O ATOM 0 H SER A 40 20.276 6.535 -2.870 1.00 24.34 H new ATOM 0 HA SER A 40 20.826 6.186 -0.100 1.00 1.40 H new ATOM 0 HB2 SER A 40 22.067 7.660 -1.764 1.00 11.41 H new ATOM 0 HB3 SER A 40 20.701 8.757 -1.732 1.00 11.41 H new ATOM 0 HG SER A 40 22.352 9.367 -0.221 1.00 72.31 H new ATOM 596 N GLU A 41 18.026 7.637 -0.935 1.00 5.24 N ATOM 597 CA GLU A 41 16.760 8.144 -0.421 1.00 15.32 C ATOM 598 C GLU A 41 15.922 7.015 0.173 1.00 41.12 C ATOM 599 O GLU A 41 15.187 7.215 1.141 1.00 23.41 O ATOM 600 CB GLU A 41 15.976 8.844 -1.533 1.00 42.51 C ATOM 601 CG GLU A 41 16.383 10.293 -1.745 1.00 14.12 C ATOM 602 CD GLU A 41 15.313 11.270 -1.299 1.00 15.54 C ATOM 603 OE1 GLU A 41 14.297 11.404 -2.013 1.00 32.20 O ATOM 604 OE2 GLU A 41 15.491 11.902 -0.236 1.00 74.22 O ATOM 0 H GLU A 41 18.048 7.505 -1.946 1.00 5.24 H new ATOM 0 HA GLU A 41 16.980 8.864 0.367 1.00 15.32 H new ATOM 0 HB2 GLU A 41 16.116 8.296 -2.465 1.00 42.51 H new ATOM 0 HB3 GLU A 41 14.913 8.805 -1.296 1.00 42.51 H new ATOM 0 HG2 GLU A 41 17.303 10.492 -1.196 1.00 14.12 H new ATOM 0 HG3 GLU A 41 16.600 10.455 -2.801 1.00 14.12 H new ATOM 611 N LEU A 42 16.038 5.829 -0.415 1.00 12.35 N ATOM 612 CA LEU A 42 15.292 4.667 0.055 1.00 74.11 C ATOM 613 C LEU A 42 15.908 4.103 1.331 1.00 11.22 C ATOM 614 O LEU A 42 15.199 3.610 2.208 1.00 60.11 O ATOM 615 CB LEU A 42 15.257 3.587 -1.028 1.00 53.22 C ATOM 616 CG LEU A 42 14.549 3.965 -2.330 1.00 42.10 C ATOM 617 CD1 LEU A 42 15.131 3.186 -3.499 1.00 41.13 C ATOM 618 CD2 LEU A 42 13.052 3.718 -2.215 1.00 1.15 C ATOM 0 H LEU A 42 16.641 5.647 -1.217 1.00 12.35 H new ATOM 0 HA LEU A 42 14.273 4.986 0.276 1.00 74.11 H new ATOM 0 HB2 LEU A 42 16.283 3.304 -1.264 1.00 53.22 H new ATOM 0 HB3 LEU A 42 14.770 2.703 -0.616 1.00 53.22 H new ATOM 0 HG LEU A 42 14.708 5.028 -2.512 1.00 42.10 H new ATOM 0 HD11 LEU A 42 14.615 3.468 -4.417 1.00 41.13 H new ATOM 0 HD12 LEU A 42 16.193 3.413 -3.595 1.00 41.13 H new ATOM 0 HD13 LEU A 42 15.003 2.118 -3.324 1.00 41.13 H new ATOM 0 HD21 LEU A 42 12.565 3.993 -3.151 1.00 1.15 H new ATOM 0 HD22 LEU A 42 12.872 2.663 -2.008 1.00 1.15 H new ATOM 0 HD23 LEU A 42 12.645 4.321 -1.403 1.00 1.15 H new ATOM 630 N GLN A 43 17.231 4.182 1.428 1.00 1.33 N ATOM 631 CA GLN A 43 17.942 3.681 2.599 1.00 50.15 C ATOM 632 C GLN A 43 17.807 4.646 3.772 1.00 35.42 C ATOM 633 O GLN A 43 18.072 4.285 4.918 1.00 32.14 O ATOM 634 CB GLN A 43 19.420 3.464 2.269 1.00 10.14 C ATOM 635 CG GLN A 43 20.220 4.754 2.186 1.00 64.31 C ATOM 636 CD GLN A 43 21.173 4.926 3.352 1.00 24.43 C ATOM 637 OE1 GLN A 43 22.132 4.167 3.503 1.00 53.11 O ATOM 638 NE2 GLN A 43 20.915 5.927 4.186 1.00 62.34 N ATOM 0 H GLN A 43 17.832 4.588 0.711 1.00 1.33 H new ATOM 0 HA GLN A 43 17.496 2.728 2.884 1.00 50.15 H new ATOM 0 HB2 GLN A 43 19.863 2.820 3.029 1.00 10.14 H new ATOM 0 HB3 GLN A 43 19.498 2.936 1.319 1.00 10.14 H new ATOM 0 HG2 GLN A 43 20.786 4.767 1.254 1.00 64.31 H new ATOM 0 HG3 GLN A 43 19.534 5.601 2.154 1.00 64.31 H new ATOM 0 HE21 GLN A 43 20.110 6.532 4.023 1.00 62.34 H new ATOM 0 HE22 GLN A 43 21.522 6.091 4.989 1.00 62.34 H new ATOM 647 N ALA A 44 17.392 5.874 3.478 1.00 63.43 N ATOM 648 CA ALA A 44 17.220 6.890 4.509 1.00 62.53 C ATOM 649 C ALA A 44 15.825 6.820 5.120 1.00 11.21 C ATOM 650 O ALA A 44 15.571 7.397 6.178 1.00 72.11 O ATOM 651 CB ALA A 44 17.478 8.274 3.933 1.00 2.35 C ATOM 0 H ALA A 44 17.169 6.189 2.534 1.00 63.43 H new ATOM 0 HA ALA A 44 17.945 6.697 5.300 1.00 62.53 H new ATOM 0 HB1 ALA A 44 17.346 9.023 4.714 1.00 2.35 H new ATOM 0 HB2 ALA A 44 18.497 8.324 3.550 1.00 2.35 H new ATOM 0 HB3 ALA A 44 16.776 8.467 3.122 1.00 2.35 H new ATOM 764 N GLU A 52 11.997 -3.831 0.960 1.00 54.44 N ATOM 765 CA GLU A 52 11.656 -2.962 -0.161 1.00 15.44 C ATOM 766 C GLU A 52 12.905 -2.303 -0.739 1.00 20.34 C ATOM 767 O GLU A 52 13.064 -2.208 -1.956 1.00 33.23 O ATOM 768 CB GLU A 52 10.659 -1.888 0.283 1.00 61.32 C ATOM 769 CG GLU A 52 11.165 -1.023 1.425 1.00 74.01 C ATOM 770 CD GLU A 52 10.111 -0.062 1.939 1.00 13.41 C ATOM 771 OE1 GLU A 52 9.804 0.917 1.227 1.00 52.40 O ATOM 772 OE2 GLU A 52 9.593 -0.288 3.053 1.00 44.32 O ATOM 0 HA GLU A 52 11.198 -3.576 -0.937 1.00 15.44 H new ATOM 0 HB2 GLU A 52 10.423 -1.249 -0.568 1.00 61.32 H new ATOM 0 HB3 GLU A 52 9.730 -2.370 0.587 1.00 61.32 H new ATOM 0 HG2 GLU A 52 11.497 -1.664 2.242 1.00 74.01 H new ATOM 0 HG3 GLU A 52 12.035 -0.458 1.090 1.00 74.01 H new ATOM 779 N VAL A 53 13.790 -1.850 0.144 1.00 52.44 N ATOM 780 CA VAL A 53 15.026 -1.201 -0.278 1.00 14.45 C ATOM 781 C VAL A 53 16.002 -2.210 -0.870 1.00 24.34 C ATOM 782 O VAL A 53 16.918 -1.844 -1.605 1.00 63.12 O ATOM 783 CB VAL A 53 15.706 -0.473 0.897 1.00 12.31 C ATOM 784 CG1 VAL A 53 16.881 0.357 0.403 1.00 70.02 C ATOM 785 CG2 VAL A 53 14.702 0.398 1.637 1.00 14.01 C ATOM 0 H VAL A 53 13.674 -1.920 1.155 1.00 52.44 H new ATOM 0 HA VAL A 53 14.756 -0.471 -1.041 1.00 14.45 H new ATOM 0 HB VAL A 53 16.087 -1.221 1.593 1.00 12.31 H new ATOM 0 HG11 VAL A 53 17.349 0.864 1.247 1.00 70.02 H new ATOM 0 HG12 VAL A 53 17.610 -0.295 -0.078 1.00 70.02 H new ATOM 0 HG13 VAL A 53 16.527 1.098 -0.314 1.00 70.02 H new ATOM 0 HG21 VAL A 53 15.200 0.905 2.464 1.00 14.01 H new ATOM 0 HG22 VAL A 53 14.289 1.139 0.953 1.00 14.01 H new ATOM 0 HG23 VAL A 53 13.896 -0.225 2.025 1.00 14.01 H new ATOM 795 N GLU A 54 15.800 -3.483 -0.543 1.00 73.15 N ATOM 796 CA GLU A 54 16.664 -4.546 -1.043 1.00 53.04 C ATOM 797 C GLU A 54 16.658 -4.579 -2.569 1.00 61.31 C ATOM 798 O GLU A 54 17.710 -4.524 -3.206 1.00 12.35 O ATOM 799 CB GLU A 54 16.215 -5.901 -0.491 1.00 40.51 C ATOM 800 CG GLU A 54 16.594 -6.121 0.964 1.00 42.53 C ATOM 801 CD GLU A 54 17.388 -7.396 1.173 1.00 14.44 C ATOM 802 OE1 GLU A 54 18.223 -7.725 0.306 1.00 52.14 O ATOM 803 OE2 GLU A 54 17.173 -8.064 2.206 1.00 32.13 O ATOM 0 H GLU A 54 15.046 -3.803 0.065 1.00 73.15 H new ATOM 0 HA GLU A 54 17.680 -4.343 -0.705 1.00 53.04 H new ATOM 0 HB2 GLU A 54 15.133 -5.985 -0.593 1.00 40.51 H new ATOM 0 HB3 GLU A 54 16.654 -6.694 -1.096 1.00 40.51 H new ATOM 0 HG2 GLU A 54 17.179 -5.271 1.316 1.00 42.53 H new ATOM 0 HG3 GLU A 54 15.689 -6.158 1.570 1.00 42.53 H new ATOM 810 N ALA A 55 15.466 -4.671 -3.149 1.00 34.24 N ATOM 811 CA ALA A 55 15.322 -4.711 -4.599 1.00 10.44 C ATOM 812 C ALA A 55 15.884 -3.447 -5.241 1.00 3.25 C ATOM 813 O ALA A 55 16.707 -3.516 -6.154 1.00 43.34 O ATOM 814 CB ALA A 55 13.860 -4.893 -4.979 1.00 42.23 C ATOM 0 H ALA A 55 14.585 -4.719 -2.637 1.00 34.24 H new ATOM 0 HA ALA A 55 15.892 -5.562 -4.973 1.00 10.44 H new ATOM 0 HB1 ALA A 55 13.767 -4.921 -6.065 1.00 42.23 H new ATOM 0 HB2 ALA A 55 13.488 -5.828 -4.559 1.00 42.23 H new ATOM 0 HB3 ALA A 55 13.276 -4.061 -4.586 1.00 42.23 H new ATOM 820 N LEU A 56 15.435 -2.294 -4.758 1.00 1.32 N ATOM 821 CA LEU A 56 15.893 -1.013 -5.285 1.00 62.03 C ATOM 822 C LEU A 56 17.412 -0.899 -5.195 1.00 54.05 C ATOM 823 O LEU A 56 18.061 -0.389 -6.109 1.00 12.55 O ATOM 824 CB LEU A 56 15.238 0.139 -4.522 1.00 53.21 C ATOM 825 CG LEU A 56 13.712 0.212 -4.597 1.00 22.13 C ATOM 826 CD1 LEU A 56 13.136 0.697 -3.276 1.00 13.42 C ATOM 827 CD2 LEU A 56 13.277 1.121 -5.737 1.00 33.40 C ATOM 0 H LEU A 56 14.754 -2.220 -4.002 1.00 1.32 H new ATOM 0 HA LEU A 56 15.604 -0.956 -6.334 1.00 62.03 H new ATOM 0 HB2 LEU A 56 15.527 0.065 -3.474 1.00 53.21 H new ATOM 0 HB3 LEU A 56 15.646 1.077 -4.900 1.00 53.21 H new ATOM 0 HG LEU A 56 13.328 -0.789 -4.791 1.00 22.13 H new ATOM 0 HD11 LEU A 56 12.049 0.743 -3.348 1.00 13.42 H new ATOM 0 HD12 LEU A 56 13.418 0.007 -2.481 1.00 13.42 H new ATOM 0 HD13 LEU A 56 13.527 1.689 -3.051 1.00 13.42 H new ATOM 0 HD21 LEU A 56 12.188 1.161 -5.775 1.00 33.40 H new ATOM 0 HD22 LEU A 56 13.671 2.124 -5.573 1.00 33.40 H new ATOM 0 HD23 LEU A 56 13.659 0.730 -6.680 1.00 33.40 H new ATOM 839 N ARG A 57 17.972 -1.379 -4.090 1.00 74.51 N ATOM 840 CA ARG A 57 19.414 -1.332 -3.882 1.00 33.35 C ATOM 841 C ARG A 57 20.141 -2.183 -4.918 1.00 61.24 C ATOM 842 O ARG A 57 21.147 -1.761 -5.489 1.00 22.21 O ATOM 843 CB ARG A 57 19.763 -1.817 -2.473 1.00 51.50 C ATOM 844 CG ARG A 57 19.785 -0.706 -1.435 1.00 73.23 C ATOM 845 CD ARG A 57 20.139 -1.240 -0.056 1.00 14.21 C ATOM 846 NE ARG A 57 21.335 -2.077 -0.083 1.00 72.23 N ATOM 847 CZ ARG A 57 22.570 -1.592 -0.143 1.00 61.41 C ATOM 848 NH1 ARG A 57 22.770 -0.282 -0.181 1.00 65.30 N ATOM 849 NH2 ARG A 57 23.608 -2.419 -0.164 1.00 41.34 N ATOM 0 H ARG A 57 17.449 -1.805 -3.325 1.00 74.51 H new ATOM 0 HA ARG A 57 19.738 -0.298 -3.995 1.00 33.35 H new ATOM 0 HB2 ARG A 57 19.039 -2.573 -2.168 1.00 51.50 H new ATOM 0 HB3 ARG A 57 20.739 -2.301 -2.496 1.00 51.50 H new ATOM 0 HG2 ARG A 57 20.509 0.054 -1.729 1.00 73.23 H new ATOM 0 HG3 ARG A 57 18.810 -0.220 -1.399 1.00 73.23 H new ATOM 0 HD2 ARG A 57 20.297 -0.405 0.626 1.00 14.21 H new ATOM 0 HD3 ARG A 57 19.301 -1.818 0.335 1.00 14.21 H new ATOM 0 HE ARG A 57 21.216 -3.090 -0.054 1.00 72.23 H new ATOM 0 HH11 ARG A 57 21.974 0.356 -0.164 1.00 65.30 H new ATOM 0 HH12 ARG A 57 23.719 0.088 -0.227 1.00 65.30 H new ATOM 0 HH21 ARG A 57 23.457 -3.427 -0.134 1.00 41.34 H new ATOM 0 HH22 ARG A 57 24.556 -2.046 -0.210 1.00 41.34 H new ATOM 863 N LYS A 58 19.626 -3.384 -5.157 1.00 74.43 N ATOM 864 CA LYS A 58 20.224 -4.296 -6.126 1.00 2.45 C ATOM 865 C LYS A 58 20.209 -3.689 -7.525 1.00 24.00 C ATOM 866 O LYS A 58 21.257 -3.512 -8.145 1.00 63.31 O ATOM 867 CB LYS A 58 19.477 -5.631 -6.129 1.00 62.31 C ATOM 868 CG LYS A 58 20.110 -6.680 -7.028 1.00 12.50 C ATOM 869 CD LYS A 58 21.366 -7.265 -6.404 1.00 53.41 C ATOM 870 CE LYS A 58 21.042 -8.085 -5.165 1.00 3.12 C ATOM 871 NZ LYS A 58 22.224 -8.852 -4.683 1.00 45.31 N ATOM 0 H LYS A 58 18.795 -3.749 -4.692 1.00 74.43 H new ATOM 0 HA LYS A 58 21.260 -4.468 -5.835 1.00 2.45 H new ATOM 0 HB2 LYS A 58 19.434 -6.016 -5.110 1.00 62.31 H new ATOM 0 HB3 LYS A 58 18.449 -5.462 -6.450 1.00 62.31 H new ATOM 0 HG2 LYS A 58 19.392 -7.478 -7.219 1.00 12.50 H new ATOM 0 HG3 LYS A 58 20.355 -6.234 -7.992 1.00 12.50 H new ATOM 0 HD2 LYS A 58 21.878 -7.893 -7.134 1.00 53.41 H new ATOM 0 HD3 LYS A 58 22.051 -6.460 -6.140 1.00 53.41 H new ATOM 0 HE2 LYS A 58 20.691 -7.423 -4.373 1.00 3.12 H new ATOM 0 HE3 LYS A 58 20.228 -8.775 -5.388 1.00 3.12 H new ATOM 0 HZ1 LYS A 58 21.962 -9.398 -3.837 1.00 45.31 H new ATOM 0 HZ2 LYS A 58 22.544 -9.502 -5.429 1.00 45.31 H new ATOM 0 HZ3 LYS A 58 22.992 -8.193 -4.445 1.00 45.31 H new ATOM 885 N GLU A 59 19.015 -3.371 -8.015 1.00 20.31 N ATOM 886 CA GLU A 59 18.866 -2.784 -9.341 1.00 52.20 C ATOM 887 C GLU A 59 19.737 -1.540 -9.486 1.00 44.42 C ATOM 888 O GLU A 59 20.494 -1.408 -10.448 1.00 11.43 O ATOM 889 CB GLU A 59 17.401 -2.427 -9.603 1.00 61.23 C ATOM 890 CG GLU A 59 16.573 -3.593 -10.116 1.00 62.45 C ATOM 891 CD GLU A 59 16.835 -4.876 -9.352 1.00 24.24 C ATOM 892 OE1 GLU A 59 16.272 -5.036 -8.249 1.00 4.45 O ATOM 893 OE2 GLU A 59 17.604 -5.721 -9.857 1.00 70.00 O ATOM 0 H GLU A 59 18.138 -3.510 -7.514 1.00 20.31 H new ATOM 0 HA GLU A 59 19.190 -3.521 -10.075 1.00 52.20 H new ATOM 0 HB2 GLU A 59 16.956 -2.054 -8.680 1.00 61.23 H new ATOM 0 HB3 GLU A 59 17.358 -1.615 -10.328 1.00 61.23 H new ATOM 0 HG2 GLU A 59 15.515 -3.342 -10.044 1.00 62.45 H new ATOM 0 HG3 GLU A 59 16.792 -3.752 -11.172 1.00 62.45 H new ATOM 900 N ALA A 60 19.624 -0.630 -8.524 1.00 43.31 N ATOM 901 CA ALA A 60 20.402 0.603 -8.543 1.00 62.22 C ATOM 902 C ALA A 60 21.886 0.312 -8.738 1.00 4.30 C ATOM 903 O ALA A 60 22.520 0.851 -9.645 1.00 61.11 O ATOM 904 CB ALA A 60 20.180 1.387 -7.258 1.00 40.14 C ATOM 0 H ALA A 60 19.001 -0.723 -7.722 1.00 43.31 H new ATOM 0 HA ALA A 60 20.063 1.205 -9.386 1.00 62.22 H new ATOM 0 HB1 ALA A 60 20.767 2.305 -7.286 1.00 40.14 H new ATOM 0 HB2 ALA A 60 19.123 1.635 -7.161 1.00 40.14 H new ATOM 0 HB3 ALA A 60 20.491 0.783 -6.405 1.00 40.14 H new ATOM 910 N ALA A 61 22.435 -0.542 -7.880 1.00 40.32 N ATOM 911 CA ALA A 61 23.845 -0.904 -7.959 1.00 74.42 C ATOM 912 C ALA A 61 24.204 -1.412 -9.352 1.00 35.34 C ATOM 913 O ALA A 61 25.234 -1.040 -9.912 1.00 22.44 O ATOM 914 CB ALA A 61 24.179 -1.954 -6.910 1.00 21.21 C ATOM 0 H ALA A 61 21.925 -0.996 -7.122 1.00 40.32 H new ATOM 0 HA ALA A 61 24.436 -0.010 -7.763 1.00 74.42 H new ATOM 0 HB1 ALA A 61 25.235 -2.215 -6.980 1.00 21.21 H new ATOM 0 HB2 ALA A 61 23.969 -1.556 -5.917 1.00 21.21 H new ATOM 0 HB3 ALA A 61 23.573 -2.844 -7.080 1.00 21.21 H new ATOM 920 N ALA A 62 23.347 -2.265 -9.905 1.00 13.45 N ATOM 921 CA ALA A 62 23.573 -2.822 -11.232 1.00 64.30 C ATOM 922 C ALA A 62 23.675 -1.720 -12.281 1.00 2.14 C ATOM 923 O ALA A 62 24.579 -1.727 -13.117 1.00 22.52 O ATOM 924 CB ALA A 62 22.461 -3.795 -11.593 1.00 34.33 C ATOM 0 H ALA A 62 22.490 -2.585 -9.454 1.00 13.45 H new ATOM 0 HA ALA A 62 24.521 -3.360 -11.215 1.00 64.30 H new ATOM 0 HB1 ALA A 62 22.643 -4.203 -12.587 1.00 34.33 H new ATOM 0 HB2 ALA A 62 22.438 -4.607 -10.866 1.00 34.33 H new ATOM 0 HB3 ALA A 62 21.504 -3.273 -11.585 1.00 34.33 H new ATOM 930 N ILE A 63 22.743 -0.774 -12.231 1.00 21.34 N ATOM 931 CA ILE A 63 22.729 0.335 -13.176 1.00 61.34 C ATOM 932 C ILE A 63 24.014 1.150 -13.086 1.00 44.32 C ATOM 933 O ILE A 63 24.605 1.512 -14.104 1.00 54.32 O ATOM 934 CB ILE A 63 21.526 1.265 -12.935 1.00 51.22 C ATOM 935 CG1 ILE A 63 20.215 0.492 -13.093 1.00 63.40 C ATOM 936 CG2 ILE A 63 21.569 2.446 -13.894 1.00 0.05 C ATOM 937 CD1 ILE A 63 19.082 1.045 -12.258 1.00 3.43 C ATOM 0 H ILE A 63 21.988 -0.754 -11.546 1.00 21.34 H new ATOM 0 HA ILE A 63 22.647 -0.100 -14.172 1.00 61.34 H new ATOM 0 HB ILE A 63 21.580 1.647 -11.915 1.00 51.22 H new ATOM 0 HG12 ILE A 63 19.921 0.503 -14.142 1.00 63.40 H new ATOM 0 HG13 ILE A 63 20.382 -0.550 -12.820 1.00 63.40 H new ATOM 0 HG21 ILE A 63 20.712 3.094 -13.711 1.00 0.05 H new ATOM 0 HG22 ILE A 63 22.489 3.008 -13.738 1.00 0.05 H new ATOM 0 HG23 ILE A 63 21.536 2.082 -14.921 1.00 0.05 H new ATOM 0 HD11 ILE A 63 18.185 0.448 -12.421 1.00 3.43 H new ATOM 0 HD12 ILE A 63 19.356 1.009 -11.204 1.00 3.43 H new ATOM 0 HD13 ILE A 63 18.887 2.078 -12.547 1.00 3.43 H new ATOM 949 N ARG A 64 24.444 1.435 -11.861 1.00 35.40 N ATOM 950 CA ARG A 64 25.660 2.207 -11.637 1.00 73.14 C ATOM 951 C ARG A 64 26.868 1.511 -12.258 1.00 35.11 C ATOM 952 O ARG A 64 27.671 2.138 -12.948 1.00 42.21 O ATOM 953 CB ARG A 64 25.890 2.413 -10.139 1.00 63.12 C ATOM 954 CG ARG A 64 27.121 3.246 -9.821 1.00 62.03 C ATOM 955 CD ARG A 64 27.693 2.897 -8.456 1.00 70.32 C ATOM 956 NE ARG A 64 28.116 1.501 -8.381 1.00 33.23 N ATOM 957 CZ ARG A 64 28.347 0.864 -7.238 1.00 75.42 C ATOM 958 NH1 ARG A 64 28.196 1.494 -6.082 1.00 32.04 N ATOM 959 NH2 ARG A 64 28.728 -0.407 -7.251 1.00 65.13 N ATOM 0 H ARG A 64 23.968 1.142 -11.008 1.00 35.40 H new ATOM 0 HA ARG A 64 25.537 3.179 -12.115 1.00 73.14 H new ATOM 0 HB2 ARG A 64 25.013 2.897 -9.708 1.00 63.12 H new ATOM 0 HB3 ARG A 64 25.986 1.440 -9.657 1.00 63.12 H new ATOM 0 HG2 ARG A 64 27.879 3.083 -10.587 1.00 62.03 H new ATOM 0 HG3 ARG A 64 26.862 4.305 -9.848 1.00 62.03 H new ATOM 0 HD2 ARG A 64 28.543 3.545 -8.242 1.00 70.32 H new ATOM 0 HD3 ARG A 64 26.944 3.091 -7.689 1.00 70.32 H new ATOM 0 HE ARG A 64 28.241 0.987 -9.253 1.00 33.23 H new ATOM 0 HH11 ARG A 64 27.902 2.471 -6.068 1.00 32.04 H new ATOM 0 HH12 ARG A 64 28.374 1.002 -5.206 1.00 32.04 H new ATOM 0 HH21 ARG A 64 28.844 -0.896 -8.139 1.00 65.13 H new ATOM 0 HH22 ARG A 64 28.905 -0.895 -6.373 1.00 65.13 H new ATOM 973 N ASP A 65 26.989 0.212 -12.007 1.00 13.10 N ATOM 974 CA ASP A 65 28.098 -0.570 -12.541 1.00 52.31 C ATOM 975 C ASP A 65 28.117 -0.514 -14.065 1.00 63.25 C ATOM 976 O ASP A 65 29.172 -0.347 -14.676 1.00 5.30 O ATOM 977 CB ASP A 65 27.998 -2.022 -12.073 1.00 22.25 C ATOM 978 CG ASP A 65 28.215 -2.165 -10.579 1.00 10.22 C ATOM 979 OD1 ASP A 65 29.155 -1.533 -10.053 1.00 70.02 O ATOM 980 OD2 ASP A 65 27.445 -2.909 -9.936 1.00 1.14 O ATOM 0 H ASP A 65 26.333 -0.322 -11.437 1.00 13.10 H new ATOM 0 HA ASP A 65 29.027 -0.140 -12.168 1.00 52.31 H new ATOM 0 HB2 ASP A 65 27.017 -2.418 -12.334 1.00 22.25 H new ATOM 0 HB3 ASP A 65 28.736 -2.623 -12.604 1.00 22.25 H new ATOM 985 N GLU A 66 26.943 -0.657 -14.673 1.00 25.00 N ATOM 986 CA GLU A 66 26.827 -0.625 -16.126 1.00 43.01 C ATOM 987 C GLU A 66 27.315 0.710 -16.682 1.00 13.24 C ATOM 988 O GLU A 66 28.104 0.751 -17.626 1.00 60.42 O ATOM 989 CB GLU A 66 25.377 -0.867 -16.549 1.00 51.05 C ATOM 990 CG GLU A 66 24.778 -2.138 -15.972 1.00 23.34 C ATOM 991 CD GLU A 66 24.605 -3.227 -17.013 1.00 34.03 C ATOM 992 OE1 GLU A 66 24.018 -2.941 -18.078 1.00 2.55 O ATOM 993 OE2 GLU A 66 25.054 -4.365 -16.763 1.00 4.30 O ATOM 0 H GLU A 66 26.060 -0.796 -14.182 1.00 25.00 H new ATOM 0 HA GLU A 66 27.454 -1.419 -16.533 1.00 43.01 H new ATOM 0 HB2 GLU A 66 24.770 -0.016 -16.239 1.00 51.05 H new ATOM 0 HB3 GLU A 66 25.328 -0.914 -17.637 1.00 51.05 H new ATOM 0 HG2 GLU A 66 25.419 -2.506 -15.170 1.00 23.34 H new ATOM 0 HG3 GLU A 66 23.810 -1.909 -15.527 1.00 23.34 H new ATOM 1000 N CYS A 67 26.839 1.800 -16.089 1.00 73.42 N ATOM 1001 CA CYS A 67 27.224 3.137 -16.525 1.00 2.21 C ATOM 1002 C CYS A 67 28.738 3.315 -16.459 1.00 14.41 C ATOM 1003 O CYS A 67 29.344 3.886 -17.365 1.00 24.02 O ATOM 1004 CB CYS A 67 26.536 4.196 -15.662 1.00 32.52 C ATOM 1005 SG CYS A 67 24.745 4.287 -15.894 1.00 31.51 S ATOM 0 H CYS A 67 26.186 1.784 -15.305 1.00 73.42 H new ATOM 0 HA CYS A 67 26.906 3.260 -17.560 1.00 2.21 H new ATOM 0 HB2 CYS A 67 26.746 3.987 -14.613 1.00 32.52 H new ATOM 0 HB3 CYS A 67 26.971 5.170 -15.886 1.00 32.52 H new ATOM 0 HG CYS A 67 24.254 5.209 -15.121 1.00 31.51 H new ATOM 1011 N GLN A 68 29.339 2.825 -15.380 1.00 64.22 N ATOM 1012 CA GLN A 68 30.782 2.932 -15.195 1.00 52.54 C ATOM 1013 C GLN A 68 31.525 2.042 -16.185 1.00 44.05 C ATOM 1014 O GLN A 68 32.654 2.339 -16.576 1.00 22.25 O ATOM 1015 CB GLN A 68 31.163 2.553 -13.764 1.00 25.04 C ATOM 1016 CG GLN A 68 30.636 3.520 -12.717 1.00 13.55 C ATOM 1017 CD GLN A 68 31.286 3.325 -11.361 1.00 34.21 C ATOM 1018 OE1 GLN A 68 32.065 4.163 -10.907 1.00 24.42 O ATOM 1019 NE2 GLN A 68 30.967 2.214 -10.706 1.00 40.42 N ATOM 0 H GLN A 68 28.850 2.350 -14.621 1.00 64.22 H new ATOM 0 HA GLN A 68 31.071 3.967 -15.378 1.00 52.54 H new ATOM 0 HB2 GLN A 68 30.783 1.555 -13.548 1.00 25.04 H new ATOM 0 HB3 GLN A 68 32.249 2.504 -13.687 1.00 25.04 H new ATOM 0 HG2 GLN A 68 30.807 4.542 -13.054 1.00 13.55 H new ATOM 0 HG3 GLN A 68 29.558 3.392 -12.620 1.00 13.55 H new ATOM 0 HE21 GLN A 68 30.317 1.547 -11.120 1.00 40.42 H new ATOM 0 HE22 GLN A 68 31.373 2.029 -9.789 1.00 40.42 H new ATOM 1028 N ALA A 69 30.885 0.949 -16.588 1.00 11.23 N ATOM 1029 CA ALA A 69 31.485 0.017 -17.533 1.00 60.54 C ATOM 1030 C ALA A 69 31.308 0.500 -18.969 1.00 31.03 C ATOM 1031 O ALA A 69 31.846 -0.092 -19.904 1.00 63.14 O ATOM 1032 CB ALA A 69 30.881 -1.370 -17.363 1.00 1.40 C ATOM 0 H ALA A 69 29.950 0.688 -16.274 1.00 11.23 H new ATOM 0 HA ALA A 69 32.553 -0.035 -17.324 1.00 60.54 H new ATOM 0 HB1 ALA A 69 31.339 -2.056 -18.076 1.00 1.40 H new ATOM 0 HB2 ALA A 69 31.064 -1.725 -16.349 1.00 1.40 H new ATOM 0 HB3 ALA A 69 29.807 -1.324 -17.543 1.00 1.40 H new ATOM 1038 N TYR A 70 30.550 1.578 -19.136 1.00 30.05 N ATOM 1039 CA TYR A 70 30.299 2.139 -20.458 1.00 4.02 C ATOM 1040 C TYR A 70 31.171 3.367 -20.703 1.00 21.12 C ATOM 1041 O TYR A 70 31.652 3.589 -21.814 1.00 70.22 O ATOM 1042 CB TYR A 70 28.823 2.510 -20.606 1.00 11.21 C ATOM 1043 CG TYR A 70 27.886 1.331 -20.473 1.00 51.02 C ATOM 1044 CD1 TYR A 70 28.272 0.062 -20.886 1.00 62.25 C ATOM 1045 CD2 TYR A 70 26.614 1.486 -19.936 1.00 21.13 C ATOM 1046 CE1 TYR A 70 27.419 -1.018 -20.768 1.00 23.51 C ATOM 1047 CE2 TYR A 70 25.755 0.411 -19.812 1.00 2.10 C ATOM 1048 CZ TYR A 70 26.162 -0.839 -20.230 1.00 2.24 C ATOM 1049 OH TYR A 70 25.309 -1.912 -20.109 1.00 51.33 O ATOM 0 H TYR A 70 30.099 2.081 -18.372 1.00 30.05 H new ATOM 0 HA TYR A 70 30.552 1.382 -21.200 1.00 4.02 H new ATOM 0 HB2 TYR A 70 28.567 3.254 -19.852 1.00 11.21 H new ATOM 0 HB3 TYR A 70 28.670 2.977 -21.579 1.00 11.21 H new ATOM 0 HD1 TYR A 70 29.256 -0.083 -21.307 1.00 62.25 H new ATOM 0 HD2 TYR A 70 26.291 2.464 -19.610 1.00 21.13 H new ATOM 0 HE1 TYR A 70 27.735 -1.998 -21.095 1.00 23.51 H new ATOM 0 HE2 TYR A 70 24.770 0.549 -19.390 1.00 2.10 H new ATOM 0 HH TYR A 70 25.194 -2.133 -19.161 1.00 51.33 H new ATOM 1059 N ARG A 71 31.371 4.161 -19.656 1.00 54.11 N ATOM 1060 CA ARG A 71 32.184 5.367 -19.756 1.00 54.11 C ATOM 1061 C ARG A 71 33.136 5.481 -18.569 1.00 60.33 C ATOM 1062 O ARG A 71 33.307 6.558 -17.998 1.00 44.33 O ATOM 1063 CB ARG A 71 31.289 6.606 -19.826 1.00 44.35 C ATOM 1064 CG ARG A 71 31.941 7.789 -20.524 1.00 4.14 C ATOM 1065 CD ARG A 71 31.027 8.384 -21.583 1.00 44.23 C ATOM 1066 NE ARG A 71 31.777 8.899 -22.726 1.00 11.40 N ATOM 1067 CZ ARG A 71 32.341 8.124 -23.645 1.00 21.41 C ATOM 1068 NH1 ARG A 71 32.241 6.805 -23.556 1.00 72.51 N ATOM 1069 NH2 ARG A 71 33.007 8.667 -24.656 1.00 10.22 N ATOM 0 H ARG A 71 30.981 3.991 -18.729 1.00 54.11 H new ATOM 0 HA ARG A 71 32.776 5.302 -20.669 1.00 54.11 H new ATOM 0 HB2 ARG A 71 30.368 6.349 -20.349 1.00 44.35 H new ATOM 0 HB3 ARG A 71 31.010 6.900 -18.814 1.00 44.35 H new ATOM 0 HG2 ARG A 71 32.193 8.553 -19.789 1.00 4.14 H new ATOM 0 HG3 ARG A 71 32.876 7.470 -20.986 1.00 4.14 H new ATOM 0 HD2 ARG A 71 30.324 7.624 -21.923 1.00 44.23 H new ATOM 0 HD3 ARG A 71 30.438 9.189 -21.143 1.00 44.23 H new ATOM 0 HE ARG A 71 31.873 9.910 -22.824 1.00 11.40 H new ATOM 0 HH11 ARG A 71 31.730 6.383 -22.780 1.00 72.51 H new ATOM 0 HH12 ARG A 71 32.675 6.212 -24.263 1.00 72.51 H new ATOM 0 HH21 ARG A 71 33.086 9.681 -24.728 1.00 10.22 H new ATOM 0 HH22 ARG A 71 33.440 8.070 -25.361 1.00 10.22 H new