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 -158:sc= 0.609 USER MOD Set 1.2: A 67 CYS SG : rot 69:sc= 1.95 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.53) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 74:sc= 0.619 USER MOD Single : A 19 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.55) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 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=-0.47) 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=-0.0049) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.693 USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 5.715 4.197 -2.148 1.00 11.42 N ATOM 26 CA SER A 3 6.979 4.898 -2.345 1.00 32.54 C ATOM 27 C SER A 3 7.931 4.069 -3.202 1.00 51.32 C ATOM 28 O SER A 3 8.677 4.609 -4.019 1.00 1.53 O ATOM 29 CB SER A 3 7.629 5.208 -0.995 1.00 44.42 C ATOM 30 OG SER A 3 8.967 5.644 -1.162 1.00 44.15 O ATOM 0 HA SER A 3 6.771 5.834 -2.864 1.00 32.54 H new ATOM 0 HB2 SER A 3 7.054 5.977 -0.479 1.00 44.42 H new ATOM 0 HB3 SER A 3 7.609 4.319 -0.365 1.00 44.42 H new ATOM 0 HG SER A 3 9.360 5.837 -0.285 1.00 44.15 H new ATOM 36 N TRP A 4 7.899 2.756 -3.010 1.00 75.31 N ATOM 37 CA TRP A 4 8.758 1.852 -3.766 1.00 23.44 C ATOM 38 C TRP A 4 8.289 1.735 -5.212 1.00 1.44 C ATOM 39 O TRP A 4 9.093 1.798 -6.141 1.00 72.03 O ATOM 40 CB TRP A 4 8.780 0.469 -3.111 1.00 1.42 C ATOM 41 CG TRP A 4 9.587 -0.537 -3.875 1.00 14.15 C ATOM 42 CD1 TRP A 4 10.543 -0.278 -4.815 1.00 12.15 C ATOM 43 CD2 TRP A 4 9.505 -1.962 -3.764 1.00 63.11 C ATOM 44 NE1 TRP A 4 11.061 -1.456 -5.295 1.00 71.32 N ATOM 45 CE2 TRP A 4 10.442 -2.504 -4.666 1.00 52.12 C ATOM 46 CE3 TRP A 4 8.734 -2.833 -2.990 1.00 24.13 C ATOM 47 CZ2 TRP A 4 10.625 -3.876 -4.814 1.00 31.22 C ATOM 48 CZ3 TRP A 4 8.917 -4.195 -3.138 1.00 1.14 C ATOM 49 CH2 TRP A 4 9.857 -4.706 -4.043 1.00 55.21 C ATOM 0 H TRP A 4 7.288 2.293 -2.337 1.00 75.31 H new ATOM 0 HA TRP A 4 9.767 2.264 -3.764 1.00 23.44 H new ATOM 0 HB2 TRP A 4 9.185 0.559 -2.103 1.00 1.42 H new ATOM 0 HB3 TRP A 4 7.757 0.105 -3.013 1.00 1.42 H new ATOM 0 HD1 TRP A 4 10.847 0.708 -5.134 1.00 12.15 H new ATOM 0 HE1 TRP A 4 11.789 -1.537 -6.005 1.00 71.32 H new ATOM 0 HE3 TRP A 4 8.008 -2.449 -2.289 1.00 24.13 H new ATOM 0 HZ2 TRP A 4 11.347 -4.272 -5.513 1.00 31.22 H new ATOM 0 HZ3 TRP A 4 8.325 -4.877 -2.546 1.00 1.14 H new ATOM 0 HH2 TRP A 4 9.978 -5.775 -4.134 1.00 55.21 H new ATOM 60 N ALA A 5 6.984 1.566 -5.394 1.00 15.22 N ATOM 61 CA ALA A 5 6.408 1.444 -6.727 1.00 71.33 C ATOM 62 C ALA A 5 6.918 2.546 -7.649 1.00 45.00 C ATOM 63 O ALA A 5 7.405 2.274 -8.746 1.00 74.21 O ATOM 64 CB ALA A 5 4.889 1.478 -6.651 1.00 73.05 C ATOM 0 H ALA A 5 6.305 1.510 -4.635 1.00 15.22 H new ATOM 0 HA ALA A 5 6.719 0.486 -7.143 1.00 71.33 H new ATOM 0 HB1 ALA A 5 4.472 1.386 -7.654 1.00 73.05 H new ATOM 0 HB2 ALA A 5 4.537 0.651 -6.034 1.00 73.05 H new ATOM 0 HB3 ALA A 5 4.568 2.422 -6.210 1.00 73.05 H new ATOM 70 N GLU A 6 6.804 3.791 -7.196 1.00 32.52 N ATOM 71 CA GLU A 6 7.253 4.933 -7.982 1.00 40.51 C ATOM 72 C GLU A 6 8.735 4.809 -8.325 1.00 52.22 C ATOM 73 O GLU A 6 9.126 4.919 -9.487 1.00 53.25 O ATOM 74 CB GLU A 6 7.002 6.236 -7.219 1.00 25.21 C ATOM 75 CG GLU A 6 5.667 6.884 -7.543 1.00 60.02 C ATOM 76 CD GLU A 6 5.409 8.132 -6.721 1.00 21.42 C ATOM 77 OE1 GLU A 6 4.847 8.005 -5.613 1.00 1.23 O ATOM 78 OE2 GLU A 6 5.769 9.234 -7.185 1.00 34.41 O ATOM 0 H GLU A 6 6.405 4.033 -6.289 1.00 32.52 H new ATOM 0 HA GLU A 6 6.683 4.949 -8.911 1.00 40.51 H new ATOM 0 HB2 GLU A 6 7.048 6.035 -6.149 1.00 25.21 H new ATOM 0 HB3 GLU A 6 7.803 6.940 -7.446 1.00 25.21 H new ATOM 0 HG2 GLU A 6 5.639 7.139 -8.602 1.00 60.02 H new ATOM 0 HG3 GLU A 6 4.866 6.166 -7.367 1.00 60.02 H new ATOM 85 N PHE A 7 9.555 4.580 -7.305 1.00 60.11 N ATOM 86 CA PHE A 7 10.994 4.442 -7.497 1.00 50.11 C ATOM 87 C PHE A 7 11.306 3.314 -8.476 1.00 45.33 C ATOM 88 O PHE A 7 12.259 3.396 -9.253 1.00 15.23 O ATOM 89 CB PHE A 7 11.686 4.177 -6.158 1.00 75.43 C ATOM 90 CG PHE A 7 12.454 5.357 -5.636 1.00 35.01 C ATOM 91 CD1 PHE A 7 11.793 6.506 -5.232 1.00 1.04 C ATOM 92 CD2 PHE A 7 13.836 5.317 -5.548 1.00 53.35 C ATOM 93 CE1 PHE A 7 12.498 7.594 -4.751 1.00 75.32 C ATOM 94 CE2 PHE A 7 14.546 6.402 -5.068 1.00 74.15 C ATOM 95 CZ PHE A 7 13.875 7.541 -4.668 1.00 43.24 C ATOM 0 H PHE A 7 9.248 4.486 -6.337 1.00 60.11 H new ATOM 0 HA PHE A 7 11.371 5.376 -7.914 1.00 50.11 H new ATOM 0 HB2 PHE A 7 10.936 3.887 -5.422 1.00 75.43 H new ATOM 0 HB3 PHE A 7 12.366 3.332 -6.270 1.00 75.43 H new ATOM 0 HD1 PHE A 7 10.716 6.552 -5.293 1.00 1.04 H new ATOM 0 HD2 PHE A 7 14.365 4.428 -5.858 1.00 53.35 H new ATOM 0 HE1 PHE A 7 11.972 8.485 -4.440 1.00 75.32 H new ATOM 0 HE2 PHE A 7 15.623 6.359 -5.006 1.00 74.15 H new ATOM 0 HZ PHE A 7 14.427 8.389 -4.291 1.00 43.24 H new ATOM 105 N LYS A 8 10.498 2.261 -8.433 1.00 61.33 N ATOM 106 CA LYS A 8 10.686 1.115 -9.316 1.00 14.32 C ATOM 107 C LYS A 8 10.433 1.501 -10.770 1.00 0.53 C ATOM 108 O LYS A 8 11.198 1.133 -11.660 1.00 42.23 O ATOM 109 CB LYS A 8 9.750 -0.026 -8.910 1.00 40.21 C ATOM 110 CG LYS A 8 10.406 -1.395 -8.953 1.00 42.12 C ATOM 111 CD LYS A 8 9.559 -2.442 -8.249 1.00 42.41 C ATOM 112 CE LYS A 8 8.677 -3.198 -9.231 1.00 45.21 C ATOM 113 NZ LYS A 8 8.229 -4.507 -8.680 1.00 44.40 N ATOM 0 H LYS A 8 9.706 2.177 -7.796 1.00 61.33 H new ATOM 0 HA LYS A 8 11.719 0.781 -9.222 1.00 14.32 H new ATOM 0 HB2 LYS A 8 9.381 0.159 -7.901 1.00 40.21 H new ATOM 0 HB3 LYS A 8 8.883 -0.027 -9.571 1.00 40.21 H new ATOM 0 HG2 LYS A 8 10.564 -1.691 -9.990 1.00 42.12 H new ATOM 0 HG3 LYS A 8 11.388 -1.344 -8.483 1.00 42.12 H new ATOM 0 HD2 LYS A 8 10.208 -3.144 -7.726 1.00 42.41 H new ATOM 0 HD3 LYS A 8 8.936 -1.961 -7.495 1.00 42.41 H new ATOM 0 HE2 LYS A 8 7.806 -2.591 -9.479 1.00 45.21 H new ATOM 0 HE3 LYS A 8 9.225 -3.363 -10.159 1.00 45.21 H new ATOM 0 HZ1 LYS A 8 7.630 -4.991 -9.379 1.00 44.40 H new ATOM 0 HZ2 LYS A 8 9.059 -5.096 -8.467 1.00 44.40 H new ATOM 0 HZ3 LYS A 8 7.684 -4.349 -7.808 1.00 44.40 H new ATOM 127 N GLN A 9 9.357 2.246 -11.001 1.00 74.10 N ATOM 128 CA GLN A 9 9.005 2.682 -12.347 1.00 51.02 C ATOM 129 C GLN A 9 10.090 3.582 -12.929 1.00 10.44 C ATOM 130 O GLN A 9 10.653 3.290 -13.983 1.00 44.14 O ATOM 131 CB GLN A 9 7.666 3.421 -12.333 1.00 53.02 C ATOM 132 CG GLN A 9 6.648 2.855 -13.310 1.00 60.31 C ATOM 133 CD GLN A 9 7.243 2.574 -14.676 1.00 25.44 C ATOM 134 OE1 GLN A 9 7.984 3.391 -15.223 1.00 53.31 O ATOM 135 NE2 GLN A 9 6.923 1.412 -15.234 1.00 10.21 N ATOM 0 H GLN A 9 8.714 2.560 -10.274 1.00 74.10 H new ATOM 0 HA GLN A 9 8.917 1.797 -12.977 1.00 51.02 H new ATOM 0 HB2 GLN A 9 7.250 3.384 -11.326 1.00 53.02 H new ATOM 0 HB3 GLN A 9 7.838 4.471 -12.568 1.00 53.02 H new ATOM 0 HG2 GLN A 9 6.232 1.933 -12.902 1.00 60.31 H new ATOM 0 HG3 GLN A 9 5.822 3.558 -13.416 1.00 60.31 H new ATOM 0 HE21 GLN A 9 6.305 0.764 -14.745 1.00 10.21 H new ATOM 0 HE22 GLN A 9 7.295 1.167 -16.152 1.00 10.21 H new ATOM 144 N ARG A 10 10.377 4.678 -12.234 1.00 5.31 N ATOM 145 CA ARG A 10 11.394 5.622 -12.682 1.00 40.33 C ATOM 146 C ARG A 10 12.734 4.921 -12.889 1.00 55.40 C ATOM 147 O ARG A 10 13.421 5.154 -13.884 1.00 42.02 O ATOM 148 CB ARG A 10 11.551 6.756 -11.667 1.00 52.02 C ATOM 149 CG ARG A 10 10.456 7.807 -11.754 1.00 32.45 C ATOM 150 CD ARG A 10 9.198 7.362 -11.024 1.00 21.33 C ATOM 151 NE ARG A 10 8.164 8.393 -11.037 1.00 73.43 N ATOM 152 CZ ARG A 10 8.164 9.444 -10.226 1.00 14.22 C ATOM 153 NH1 ARG A 10 9.138 9.603 -9.341 1.00 42.31 N ATOM 154 NH2 ARG A 10 7.187 10.340 -10.299 1.00 22.24 N ATOM 0 H ARG A 10 9.920 4.934 -11.359 1.00 5.31 H new ATOM 0 HA ARG A 10 11.071 6.039 -13.636 1.00 40.33 H new ATOM 0 HB2 ARG A 10 11.559 6.334 -10.662 1.00 52.02 H new ATOM 0 HB3 ARG A 10 12.517 7.237 -11.819 1.00 52.02 H new ATOM 0 HG2 ARG A 10 10.814 8.744 -11.326 1.00 32.45 H new ATOM 0 HG3 ARG A 10 10.221 8.003 -12.800 1.00 32.45 H new ATOM 0 HD2 ARG A 10 8.811 6.455 -11.488 1.00 21.33 H new ATOM 0 HD3 ARG A 10 9.447 7.111 -9.993 1.00 21.33 H new ATOM 0 HE ARG A 10 7.400 8.301 -11.706 1.00 73.43 H new ATOM 0 HH11 ARG A 10 9.890 8.917 -9.282 1.00 42.31 H new ATOM 0 HH12 ARG A 10 9.135 10.412 -8.719 1.00 42.31 H new ATOM 0 HH21 ARG A 10 6.436 10.221 -10.979 1.00 22.24 H new ATOM 0 HH22 ARG A 10 7.188 11.147 -9.676 1.00 22.24 H new ATOM 168 N LEU A 11 13.098 4.063 -11.943 1.00 4.31 N ATOM 169 CA LEU A 11 14.356 3.328 -12.020 1.00 40.14 C ATOM 170 C LEU A 11 14.380 2.418 -13.244 1.00 21.30 C ATOM 171 O LEU A 11 15.404 2.290 -13.915 1.00 30.13 O ATOM 172 CB LEU A 11 14.565 2.501 -10.751 1.00 20.22 C ATOM 173 CG LEU A 11 15.751 1.535 -10.766 1.00 54.34 C ATOM 174 CD1 LEU A 11 16.473 1.556 -9.428 1.00 63.35 C ATOM 175 CD2 LEU A 11 15.286 0.126 -11.102 1.00 61.34 C ATOM 0 H LEU A 11 12.540 3.859 -11.114 1.00 4.31 H new ATOM 0 HA LEU A 11 15.166 4.051 -12.112 1.00 40.14 H new ATOM 0 HB2 LEU A 11 14.690 3.185 -9.912 1.00 20.22 H new ATOM 0 HB3 LEU A 11 13.658 1.928 -10.562 1.00 20.22 H new ATOM 0 HG LEU A 11 16.450 1.859 -11.537 1.00 54.34 H new ATOM 0 HD11 LEU A 11 17.314 0.863 -9.457 1.00 63.35 H new ATOM 0 HD12 LEU A 11 16.840 2.563 -9.228 1.00 63.35 H new ATOM 0 HD13 LEU A 11 15.784 1.257 -8.638 1.00 63.35 H new ATOM 0 HD21 LEU A 11 16.143 -0.548 -11.108 1.00 61.34 H new ATOM 0 HD22 LEU A 11 14.567 -0.208 -10.354 1.00 61.34 H new ATOM 0 HD23 LEU A 11 14.815 0.123 -12.085 1.00 61.34 H new ATOM 187 N ALA A 12 13.245 1.789 -13.530 1.00 33.13 N ATOM 188 CA ALA A 12 13.134 0.894 -14.675 1.00 24.01 C ATOM 189 C ALA A 12 13.361 1.645 -15.982 1.00 41.25 C ATOM 190 O ALA A 12 14.093 1.182 -16.857 1.00 32.24 O ATOM 191 CB ALA A 12 11.773 0.214 -14.684 1.00 25.31 C ATOM 0 H ALA A 12 12.389 1.883 -12.984 1.00 33.13 H new ATOM 0 HA ALA A 12 13.908 0.132 -14.585 1.00 24.01 H new ATOM 0 HB1 ALA A 12 11.704 -0.451 -15.545 1.00 25.31 H new ATOM 0 HB2 ALA A 12 11.649 -0.364 -13.768 1.00 25.31 H new ATOM 0 HB3 ALA A 12 10.989 0.969 -14.746 1.00 25.31 H new ATOM 197 N ALA A 13 12.728 2.807 -16.110 1.00 30.24 N ATOM 198 CA ALA A 13 12.862 3.622 -17.310 1.00 40.51 C ATOM 199 C ALA A 13 14.297 4.106 -17.488 1.00 3.01 C ATOM 200 O ALA A 13 14.834 4.093 -18.596 1.00 73.32 O ATOM 201 CB ALA A 13 11.908 4.806 -17.253 1.00 55.04 C ATOM 0 H ALA A 13 12.117 3.205 -15.396 1.00 30.24 H new ATOM 0 HA ALA A 13 12.606 3.003 -18.170 1.00 40.51 H new ATOM 0 HB1 ALA A 13 12.019 5.406 -18.156 1.00 55.04 H new ATOM 0 HB2 ALA A 13 10.882 4.444 -17.182 1.00 55.04 H new ATOM 0 HB3 ALA A 13 12.138 5.417 -16.380 1.00 55.04 H new ATOM 207 N ILE A 14 14.913 4.533 -16.391 1.00 20.24 N ATOM 208 CA ILE A 14 16.286 5.020 -16.426 1.00 43.24 C ATOM 209 C ILE A 14 17.251 3.915 -16.843 1.00 1.10 C ATOM 210 O ILE A 14 18.183 4.147 -17.614 1.00 32.23 O ATOM 211 CB ILE A 14 16.722 5.578 -15.058 1.00 73.53 C ATOM 212 CG1 ILE A 14 15.800 6.722 -14.633 1.00 1.42 C ATOM 213 CG2 ILE A 14 18.168 6.047 -15.114 1.00 12.04 C ATOM 214 CD1 ILE A 14 15.656 6.857 -13.133 1.00 65.10 C ATOM 0 H ILE A 14 14.483 4.551 -15.466 1.00 20.24 H new ATOM 0 HA ILE A 14 16.316 5.823 -17.162 1.00 43.24 H new ATOM 0 HB ILE A 14 16.648 4.783 -14.316 1.00 73.53 H new ATOM 0 HG12 ILE A 14 16.185 7.658 -15.039 1.00 1.42 H new ATOM 0 HG13 ILE A 14 14.815 6.566 -15.072 1.00 1.42 H new ATOM 0 HG21 ILE A 14 18.461 6.439 -14.140 1.00 12.04 H new ATOM 0 HG22 ILE A 14 18.813 5.208 -15.377 1.00 12.04 H new ATOM 0 HG23 ILE A 14 18.268 6.831 -15.865 1.00 12.04 H new ATOM 0 HD11 ILE A 14 14.988 7.688 -12.905 1.00 65.10 H new ATOM 0 HD12 ILE A 14 15.242 5.936 -12.723 1.00 65.10 H new ATOM 0 HD13 ILE A 14 16.634 7.045 -12.689 1.00 65.10 H new ATOM 226 N LYS A 15 17.021 2.712 -16.329 1.00 73.44 N ATOM 227 CA LYS A 15 17.867 1.568 -16.649 1.00 74.14 C ATOM 228 C LYS A 15 17.736 1.190 -18.121 1.00 61.34 C ATOM 229 O LYS A 15 18.732 0.932 -18.798 1.00 43.11 O ATOM 230 CB LYS A 15 17.496 0.372 -15.770 1.00 24.42 C ATOM 231 CG LYS A 15 18.556 -0.717 -15.746 1.00 14.20 C ATOM 232 CD LYS A 15 18.208 -1.811 -14.751 1.00 22.31 C ATOM 233 CE LYS A 15 17.121 -2.729 -15.289 1.00 11.14 C ATOM 234 NZ LYS A 15 16.318 -3.340 -14.193 1.00 5.41 N ATOM 0 H LYS A 15 16.255 2.503 -15.688 1.00 73.44 H new ATOM 0 HA LYS A 15 18.902 1.847 -16.454 1.00 74.14 H new ATOM 0 HB2 LYS A 15 17.321 0.720 -14.752 1.00 24.42 H new ATOM 0 HB3 LYS A 15 16.558 -0.053 -16.127 1.00 24.42 H new ATOM 0 HG2 LYS A 15 18.658 -1.149 -16.742 1.00 14.20 H new ATOM 0 HG3 LYS A 15 19.521 -0.281 -15.487 1.00 14.20 H new ATOM 0 HD2 LYS A 15 19.100 -2.395 -14.524 1.00 22.31 H new ATOM 0 HD3 LYS A 15 17.876 -1.361 -13.816 1.00 22.31 H new ATOM 0 HE2 LYS A 15 16.463 -2.164 -15.950 1.00 11.14 H new ATOM 0 HE3 LYS A 15 17.576 -3.517 -15.889 1.00 11.14 H new ATOM 0 HZ1 LYS A 15 15.588 -3.959 -14.601 1.00 5.41 H new ATOM 0 HZ2 LYS A 15 16.941 -3.900 -13.577 1.00 5.41 H new ATOM 0 HZ3 LYS A 15 15.863 -2.589 -13.636 1.00 5.41 H new ATOM 248 N THR A 16 16.501 1.159 -18.613 1.00 2.31 N ATOM 249 CA THR A 16 16.241 0.813 -20.004 1.00 53.14 C ATOM 250 C THR A 16 16.950 1.773 -20.952 1.00 4.40 C ATOM 251 O THR A 16 17.648 1.349 -21.873 1.00 70.03 O ATOM 252 CB THR A 16 14.732 0.826 -20.314 1.00 12.24 C ATOM 253 OG1 THR A 16 14.053 -0.124 -19.484 1.00 45.31 O ATOM 254 CG2 THR A 16 14.477 0.502 -21.778 1.00 35.02 C ATOM 0 H THR A 16 15.665 1.370 -18.068 1.00 2.31 H new ATOM 0 HA THR A 16 16.627 -0.195 -20.155 1.00 53.14 H new ATOM 0 HB THR A 16 14.350 1.826 -20.108 1.00 12.24 H new ATOM 0 HG1 THR A 16 13.996 0.223 -18.569 1.00 45.31 H new ATOM 0 HG21 THR A 16 13.405 0.517 -21.973 1.00 35.02 H new ATOM 0 HG22 THR A 16 14.970 1.244 -22.406 1.00 35.02 H new ATOM 0 HG23 THR A 16 14.873 -0.488 -22.006 1.00 35.02 H new ATOM 262 N ARG A 17 16.769 3.069 -20.719 1.00 55.24 N ATOM 263 CA ARG A 17 17.392 4.090 -21.553 1.00 74.14 C ATOM 264 C ARG A 17 18.912 3.962 -21.524 1.00 11.40 C ATOM 265 O ARG A 17 19.572 4.045 -22.561 1.00 32.14 O ATOM 266 CB ARG A 17 16.977 5.486 -21.084 1.00 31.52 C ATOM 267 CG ARG A 17 15.966 6.160 -21.997 1.00 31.14 C ATOM 268 CD ARG A 17 14.593 5.517 -21.879 1.00 61.50 C ATOM 269 NE ARG A 17 13.927 5.408 -23.174 1.00 14.10 N ATOM 270 CZ ARG A 17 12.724 4.869 -23.339 1.00 12.04 C ATOM 271 NH1 ARG A 17 12.059 4.392 -22.295 1.00 50.23 N ATOM 272 NH2 ARG A 17 12.183 4.807 -24.549 1.00 24.41 N ATOM 0 H ARG A 17 16.196 3.437 -19.960 1.00 55.24 H new ATOM 0 HA ARG A 17 17.052 3.943 -22.578 1.00 74.14 H new ATOM 0 HB2 ARG A 17 16.556 5.413 -20.081 1.00 31.52 H new ATOM 0 HB3 ARG A 17 17.865 6.115 -21.012 1.00 31.52 H new ATOM 0 HG2 ARG A 17 15.896 7.218 -21.746 1.00 31.14 H new ATOM 0 HG3 ARG A 17 16.310 6.100 -23.030 1.00 31.14 H new ATOM 0 HD2 ARG A 17 14.694 4.525 -21.439 1.00 61.50 H new ATOM 0 HD3 ARG A 17 13.974 6.105 -21.201 1.00 61.50 H new ATOM 0 HE ARG A 17 14.412 5.765 -23.997 1.00 14.10 H new ATOM 0 HH11 ARG A 17 12.471 4.439 -21.363 1.00 50.23 H new ATOM 0 HH12 ARG A 17 11.135 3.979 -22.424 1.00 50.23 H new ATOM 0 HH21 ARG A 17 12.691 5.173 -25.354 1.00 24.41 H new ATOM 0 HH22 ARG A 17 11.259 4.393 -24.674 1.00 24.41 H new ATOM 286 N CYS A 18 19.460 3.762 -20.331 1.00 24.30 N ATOM 287 CA CYS A 18 20.903 3.624 -20.166 1.00 41.31 C ATOM 288 C CYS A 18 21.410 2.356 -20.846 1.00 13.32 C ATOM 289 O CYS A 18 22.459 2.363 -21.489 1.00 74.13 O ATOM 290 CB CYS A 18 21.268 3.602 -18.681 1.00 71.11 C ATOM 291 SG CYS A 18 22.559 4.781 -18.220 1.00 54.31 S ATOM 0 H CYS A 18 18.928 3.692 -19.464 1.00 24.30 H new ATOM 0 HA CYS A 18 21.381 4.483 -20.637 1.00 41.31 H new ATOM 0 HB2 CYS A 18 20.373 3.812 -18.095 1.00 71.11 H new ATOM 0 HB3 CYS A 18 21.596 2.598 -18.413 1.00 71.11 H new ATOM 0 HG CYS A 18 23.125 4.395 -17.115 1.00 54.31 H new ATOM 297 N GLN A 19 20.658 1.270 -20.696 1.00 50.44 N ATOM 298 CA GLN A 19 21.033 -0.006 -21.294 1.00 52.31 C ATOM 299 C GLN A 19 21.045 0.089 -22.816 1.00 44.02 C ATOM 300 O GLN A 19 21.875 -0.533 -23.480 1.00 13.24 O ATOM 301 CB GLN A 19 20.067 -1.105 -20.848 1.00 25.13 C ATOM 302 CG GLN A 19 20.155 -1.426 -19.364 1.00 53.23 C ATOM 303 CD GLN A 19 20.970 -2.673 -19.084 1.00 11.22 C ATOM 304 OE1 GLN A 19 21.984 -2.622 -18.387 1.00 14.14 O ATOM 305 NE2 GLN A 19 20.530 -3.802 -19.627 1.00 25.24 N ATOM 0 H GLN A 19 19.787 1.248 -20.166 1.00 50.44 H new ATOM 0 HA GLN A 19 22.039 -0.256 -20.956 1.00 52.31 H new ATOM 0 HB2 GLN A 19 19.048 -0.800 -21.086 1.00 25.13 H new ATOM 0 HB3 GLN A 19 20.270 -2.010 -21.420 1.00 25.13 H new ATOM 0 HG2 GLN A 19 20.600 -0.581 -18.839 1.00 53.23 H new ATOM 0 HG3 GLN A 19 19.149 -1.556 -18.964 1.00 53.23 H new ATOM 0 HE21 GLN A 19 19.685 -3.798 -20.198 1.00 25.24 H new ATOM 0 HE22 GLN A 19 21.037 -4.673 -19.473 1.00 25.24 H new ATOM 314 N ALA A 20 20.120 0.871 -23.363 1.00 64.12 N ATOM 315 CA ALA A 20 20.026 1.048 -24.807 1.00 4.10 C ATOM 316 C ALA A 20 21.103 2.002 -25.314 1.00 73.22 C ATOM 317 O ALA A 20 21.521 1.924 -26.470 1.00 51.12 O ATOM 318 CB ALA A 20 18.644 1.559 -25.187 1.00 64.52 C ATOM 0 H ALA A 20 19.425 1.392 -22.828 1.00 64.12 H new ATOM 0 HA ALA A 20 20.185 0.078 -25.279 1.00 4.10 H new ATOM 0 HB1 ALA A 20 18.588 1.687 -26.268 1.00 64.52 H new ATOM 0 HB2 ALA A 20 17.890 0.840 -24.867 1.00 64.52 H new ATOM 0 HB3 ALA A 20 18.463 2.517 -24.699 1.00 64.52 H new ATOM 324 N LEU A 21 21.547 2.902 -24.444 1.00 21.42 N ATOM 325 CA LEU A 21 22.575 3.872 -24.804 1.00 22.21 C ATOM 326 C LEU A 21 22.215 4.591 -26.100 1.00 0.11 C ATOM 327 O LEU A 21 23.092 5.014 -26.852 1.00 23.51 O ATOM 328 CB LEU A 21 23.930 3.177 -24.952 1.00 41.43 C ATOM 329 CG LEU A 21 24.278 2.148 -23.877 1.00 20.15 C ATOM 330 CD1 LEU A 21 25.096 1.012 -24.470 1.00 23.31 C ATOM 331 CD2 LEU A 21 25.031 2.808 -22.730 1.00 73.24 C ATOM 0 H LEU A 21 21.211 2.980 -23.484 1.00 21.42 H new ATOM 0 HA LEU A 21 22.638 4.611 -24.006 1.00 22.21 H new ATOM 0 HB2 LEU A 21 23.958 2.682 -25.923 1.00 41.43 H new ATOM 0 HB3 LEU A 21 24.708 3.940 -24.961 1.00 41.43 H new ATOM 0 HG LEU A 21 23.350 1.733 -23.485 1.00 20.15 H new ATOM 0 HD11 LEU A 21 25.334 0.289 -23.690 1.00 23.31 H new ATOM 0 HD12 LEU A 21 24.521 0.521 -25.256 1.00 23.31 H new ATOM 0 HD13 LEU A 21 26.020 1.410 -24.890 1.00 23.31 H new ATOM 0 HD21 LEU A 21 25.270 2.060 -21.974 1.00 73.24 H new ATOM 0 HD22 LEU A 21 25.953 3.251 -23.107 1.00 73.24 H new ATOM 0 HD23 LEU A 21 24.409 3.586 -22.287 1.00 73.24 H new ATOM 343 N GLY A 22 20.917 4.729 -26.354 1.00 20.34 N ATOM 344 CA GLY A 22 20.464 5.399 -27.558 1.00 54.30 C ATOM 345 C GLY A 22 19.857 6.759 -27.271 1.00 61.44 C ATOM 346 O GLY A 22 18.887 7.161 -27.912 1.00 43.14 O ATOM 0 H GLY A 22 20.171 4.388 -25.747 1.00 20.34 H new ATOM 0 HA2 GLY A 22 21.304 5.517 -28.243 1.00 54.30 H new ATOM 0 HA3 GLY A 22 19.727 4.774 -28.062 1.00 54.30 H new ATOM 393 N GLU A 27 24.079 12.302 -21.827 1.00 21.15 N ATOM 394 CA GLU A 27 22.959 11.882 -20.993 1.00 13.31 C ATOM 395 C GLU A 27 23.385 10.786 -20.021 1.00 35.12 C ATOM 396 O GLU A 27 22.901 10.723 -18.890 1.00 24.44 O ATOM 397 CB GLU A 27 21.803 11.386 -21.865 1.00 25.32 C ATOM 398 CG GLU A 27 21.505 9.906 -21.694 1.00 72.31 C ATOM 399 CD GLU A 27 20.382 9.429 -22.596 1.00 4.34 C ATOM 400 OE1 GLU A 27 19.663 10.285 -23.151 1.00 51.31 O ATOM 401 OE2 GLU A 27 20.224 8.200 -22.746 1.00 22.55 O ATOM 0 HA GLU A 27 22.625 12.745 -20.416 1.00 13.31 H new ATOM 0 HB2 GLU A 27 20.907 11.959 -21.626 1.00 25.32 H new ATOM 0 HB3 GLU A 27 22.037 11.583 -22.911 1.00 25.32 H new ATOM 0 HG2 GLU A 27 22.406 9.331 -21.907 1.00 72.31 H new ATOM 0 HG3 GLU A 27 21.240 9.710 -20.655 1.00 72.31 H new ATOM 408 N CYS A 28 24.291 9.925 -20.470 1.00 32.22 N ATOM 409 CA CYS A 28 24.781 8.829 -19.641 1.00 4.41 C ATOM 410 C CYS A 28 25.206 9.336 -18.266 1.00 72.32 C ATOM 411 O CYS A 28 24.885 8.730 -17.244 1.00 73.24 O ATOM 412 CB CYS A 28 25.957 8.131 -20.326 1.00 30.01 C ATOM 413 SG CYS A 28 25.504 7.215 -21.818 1.00 1.33 S ATOM 0 H CYS A 28 24.701 9.964 -21.403 1.00 32.22 H new ATOM 0 HA CYS A 28 23.969 8.114 -19.510 1.00 4.41 H new ATOM 0 HB2 CYS A 28 26.708 8.877 -20.585 1.00 30.01 H new ATOM 0 HB3 CYS A 28 26.421 7.444 -19.618 1.00 30.01 H new ATOM 0 HG CYS A 28 26.565 6.662 -22.327 1.00 1.33 H new ATOM 419 N ALA A 29 25.931 10.449 -18.249 1.00 53.55 N ATOM 420 CA ALA A 29 26.399 11.037 -17.001 1.00 11.54 C ATOM 421 C ALA A 29 25.235 11.326 -16.059 1.00 34.30 C ATOM 422 O ALA A 29 25.239 10.902 -14.904 1.00 32.32 O ATOM 423 CB ALA A 29 27.183 12.311 -17.278 1.00 43.35 C ATOM 0 H ALA A 29 26.207 10.962 -19.086 1.00 53.55 H new ATOM 0 HA ALA A 29 27.057 10.317 -16.514 1.00 11.54 H new ATOM 0 HB1 ALA A 29 27.526 12.739 -16.336 1.00 43.35 H new ATOM 0 HB2 ALA A 29 28.043 12.080 -17.906 1.00 43.35 H new ATOM 0 HB3 ALA A 29 26.542 13.028 -17.790 1.00 43.35 H new ATOM 429 N ALA A 30 24.239 12.050 -16.560 1.00 64.34 N ATOM 430 CA ALA A 30 23.068 12.393 -15.764 1.00 10.30 C ATOM 431 C ALA A 30 22.404 11.143 -15.196 1.00 42.34 C ATOM 432 O ALA A 30 21.889 11.155 -14.078 1.00 64.10 O ATOM 433 CB ALA A 30 22.075 13.187 -16.600 1.00 62.25 C ATOM 0 H ALA A 30 24.220 12.410 -17.514 1.00 64.34 H new ATOM 0 HA ALA A 30 23.397 13.010 -14.927 1.00 10.30 H new ATOM 0 HB1 ALA A 30 21.205 13.436 -15.992 1.00 62.25 H new ATOM 0 HB2 ALA A 30 22.547 14.104 -16.952 1.00 62.25 H new ATOM 0 HB3 ALA A 30 21.761 12.590 -17.456 1.00 62.25 H new ATOM 439 N PHE A 31 22.419 10.066 -15.974 1.00 51.04 N ATOM 440 CA PHE A 31 21.817 8.808 -15.549 1.00 75.24 C ATOM 441 C PHE A 31 22.546 8.238 -14.336 1.00 14.20 C ATOM 442 O PHE A 31 21.924 7.891 -13.333 1.00 33.13 O ATOM 443 CB PHE A 31 21.840 7.794 -16.695 1.00 64.11 C ATOM 444 CG PHE A 31 20.646 7.884 -17.601 1.00 15.53 C ATOM 445 CD1 PHE A 31 20.311 9.083 -18.210 1.00 14.23 C ATOM 446 CD2 PHE A 31 19.858 6.771 -17.844 1.00 34.15 C ATOM 447 CE1 PHE A 31 19.211 9.169 -19.043 1.00 1.33 C ATOM 448 CE2 PHE A 31 18.757 6.851 -18.676 1.00 62.10 C ATOM 449 CZ PHE A 31 18.434 8.052 -19.277 1.00 62.42 C ATOM 0 H PHE A 31 22.841 10.039 -16.902 1.00 51.04 H new ATOM 0 HA PHE A 31 20.782 9.006 -15.269 1.00 75.24 H new ATOM 0 HB2 PHE A 31 22.745 7.944 -17.284 1.00 64.11 H new ATOM 0 HB3 PHE A 31 21.894 6.788 -16.278 1.00 64.11 H new ATOM 0 HD1 PHE A 31 20.916 9.960 -18.032 1.00 14.23 H new ATOM 0 HD2 PHE A 31 20.107 5.829 -17.378 1.00 34.15 H new ATOM 0 HE1 PHE A 31 18.960 10.110 -19.510 1.00 1.33 H new ATOM 0 HE2 PHE A 31 18.150 5.976 -18.856 1.00 62.10 H new ATOM 0 HZ PHE A 31 17.575 8.117 -19.929 1.00 62.42 H new ATOM 459 N GLU A 32 23.868 8.145 -14.437 1.00 51.52 N ATOM 460 CA GLU A 32 24.681 7.617 -13.349 1.00 24.23 C ATOM 461 C GLU A 32 24.437 8.395 -12.059 1.00 51.01 C ATOM 462 O GLU A 32 24.254 7.809 -10.992 1.00 0.23 O ATOM 463 CB GLU A 32 26.165 7.673 -13.718 1.00 23.13 C ATOM 464 CG GLU A 32 27.094 7.361 -12.556 1.00 34.31 C ATOM 465 CD GLU A 32 26.732 6.067 -11.852 1.00 3.21 C ATOM 466 OE1 GLU A 32 26.959 4.988 -12.439 1.00 15.54 O ATOM 467 OE2 GLU A 32 26.223 6.134 -10.713 1.00 44.43 O ATOM 0 H GLU A 32 24.398 8.428 -15.261 1.00 51.52 H new ATOM 0 HA GLU A 32 24.393 6.578 -13.186 1.00 24.23 H new ATOM 0 HB2 GLU A 32 26.357 6.966 -14.525 1.00 23.13 H new ATOM 0 HB3 GLU A 32 26.398 8.666 -14.102 1.00 23.13 H new ATOM 0 HG2 GLU A 32 28.119 7.297 -12.922 1.00 34.31 H new ATOM 0 HG3 GLU A 32 27.062 8.182 -11.839 1.00 34.31 H new ATOM 474 N LYS A 33 24.436 9.719 -12.166 1.00 14.54 N ATOM 475 CA LYS A 33 24.213 10.580 -11.010 1.00 2.21 C ATOM 476 C LYS A 33 22.846 10.313 -10.388 1.00 3.52 C ATOM 477 O LYS A 33 22.738 10.073 -9.186 1.00 23.11 O ATOM 478 CB LYS A 33 24.322 12.052 -11.416 1.00 23.23 C ATOM 479 CG LYS A 33 25.376 12.821 -10.638 1.00 31.25 C ATOM 480 CD LYS A 33 26.446 13.386 -11.556 1.00 52.25 C ATOM 481 CE LYS A 33 27.616 13.953 -10.767 1.00 52.21 C ATOM 482 NZ LYS A 33 28.740 12.982 -10.667 1.00 30.32 N ATOM 0 H LYS A 33 24.587 10.220 -13.042 1.00 14.54 H new ATOM 0 HA LYS A 33 24.980 10.356 -10.268 1.00 2.21 H new ATOM 0 HB2 LYS A 33 24.553 12.111 -12.480 1.00 23.23 H new ATOM 0 HB3 LYS A 33 23.354 12.532 -11.273 1.00 23.23 H new ATOM 0 HG2 LYS A 33 24.902 13.633 -10.087 1.00 31.25 H new ATOM 0 HG3 LYS A 33 25.838 12.163 -9.901 1.00 31.25 H new ATOM 0 HD2 LYS A 33 26.803 12.603 -12.225 1.00 52.25 H new ATOM 0 HD3 LYS A 33 26.015 14.168 -12.181 1.00 52.25 H new ATOM 0 HE2 LYS A 33 27.967 14.867 -11.245 1.00 52.21 H new ATOM 0 HE3 LYS A 33 27.281 14.225 -9.766 1.00 52.21 H new ATOM 0 HZ1 LYS A 33 29.518 13.406 -10.122 1.00 30.32 H new ATOM 0 HZ2 LYS A 33 28.412 12.119 -10.188 1.00 30.32 H new ATOM 0 HZ3 LYS A 33 29.077 12.741 -11.621 1.00 30.32 H new ATOM 496 N GLU A 34 21.806 10.357 -11.215 1.00 21.35 N ATOM 497 CA GLU A 34 20.447 10.119 -10.744 1.00 33.32 C ATOM 498 C GLU A 34 20.364 8.814 -9.956 1.00 41.24 C ATOM 499 O GLU A 34 19.809 8.774 -8.858 1.00 4.22 O ATOM 500 CB GLU A 34 19.474 10.077 -11.924 1.00 44.15 C ATOM 501 CG GLU A 34 18.305 11.038 -11.785 1.00 24.34 C ATOM 502 CD GLU A 34 17.481 10.776 -10.539 1.00 3.11 C ATOM 503 OE1 GLU A 34 17.129 9.603 -10.296 1.00 14.35 O ATOM 504 OE2 GLU A 34 17.189 11.745 -9.807 1.00 44.21 O ATOM 0 H GLU A 34 21.879 10.555 -12.213 1.00 21.35 H new ATOM 0 HA GLU A 34 20.171 10.941 -10.083 1.00 33.32 H new ATOM 0 HB2 GLU A 34 20.017 10.309 -12.840 1.00 44.15 H new ATOM 0 HB3 GLU A 34 19.089 9.063 -12.030 1.00 44.15 H new ATOM 0 HG2 GLU A 34 18.681 12.061 -11.759 1.00 24.34 H new ATOM 0 HG3 GLU A 34 17.665 10.956 -12.664 1.00 24.34 H new ATOM 511 N ILE A 35 20.919 7.750 -10.526 1.00 70.15 N ATOM 512 CA ILE A 35 20.909 6.444 -9.878 1.00 53.34 C ATOM 513 C ILE A 35 21.611 6.496 -8.526 1.00 44.41 C ATOM 514 O ILE A 35 21.116 5.957 -7.537 1.00 24.11 O ATOM 515 CB ILE A 35 21.586 5.375 -10.756 1.00 3.14 C ATOM 516 CG1 ILE A 35 20.811 5.190 -12.062 1.00 24.42 C ATOM 517 CG2 ILE A 35 21.687 4.058 -10.002 1.00 22.44 C ATOM 518 CD1 ILE A 35 19.429 4.606 -11.867 1.00 5.01 C ATOM 0 H ILE A 35 21.381 7.766 -11.435 1.00 70.15 H new ATOM 0 HA ILE A 35 19.864 6.172 -9.731 1.00 53.34 H new ATOM 0 HB ILE A 35 22.594 5.710 -10.999 1.00 3.14 H new ATOM 0 HG12 ILE A 35 20.722 6.155 -12.562 1.00 24.42 H new ATOM 0 HG13 ILE A 35 21.382 4.539 -12.725 1.00 24.42 H new ATOM 0 HG21 ILE A 35 22.168 3.312 -10.635 1.00 22.44 H new ATOM 0 HG22 ILE A 35 22.278 4.201 -9.097 1.00 22.44 H new ATOM 0 HG23 ILE A 35 20.688 3.716 -9.732 1.00 22.44 H new ATOM 0 HD11 ILE A 35 18.938 4.503 -12.835 1.00 5.01 H new ATOM 0 HD12 ILE A 35 19.511 3.627 -11.395 1.00 5.01 H new ATOM 0 HD13 ILE A 35 18.841 5.267 -11.230 1.00 5.01 H new ATOM 530 N ALA A 36 22.767 7.151 -8.491 1.00 4.01 N ATOM 531 CA ALA A 36 23.537 7.277 -7.259 1.00 55.32 C ATOM 532 C ALA A 36 22.689 7.876 -6.142 1.00 20.34 C ATOM 533 O ALA A 36 22.648 7.348 -5.030 1.00 45.54 O ATOM 534 CB ALA A 36 24.777 8.126 -7.496 1.00 53.31 C ATOM 0 H ALA A 36 23.191 7.603 -9.301 1.00 4.01 H new ATOM 0 HA ALA A 36 23.848 6.279 -6.949 1.00 55.32 H new ATOM 0 HB1 ALA A 36 25.342 8.212 -6.568 1.00 53.31 H new ATOM 0 HB2 ALA A 36 25.399 7.656 -8.258 1.00 53.31 H new ATOM 0 HB3 ALA A 36 24.479 9.119 -7.832 1.00 53.31 H new ATOM 540 N ALA A 37 22.014 8.980 -6.444 1.00 1.04 N ATOM 541 CA ALA A 37 21.167 9.649 -5.465 1.00 15.14 C ATOM 542 C ALA A 37 19.974 8.778 -5.085 1.00 12.23 C ATOM 543 O ALA A 37 19.510 8.806 -3.945 1.00 10.35 O ATOM 544 CB ALA A 37 20.693 10.990 -6.005 1.00 75.15 C ATOM 0 H ALA A 37 22.037 9.430 -7.359 1.00 1.04 H new ATOM 0 HA ALA A 37 21.759 9.821 -4.566 1.00 15.14 H new ATOM 0 HB1 ALA A 37 20.061 11.478 -5.263 1.00 75.15 H new ATOM 0 HB2 ALA A 37 21.555 11.621 -6.219 1.00 75.15 H new ATOM 0 HB3 ALA A 37 20.122 10.833 -6.920 1.00 75.15 H new ATOM 550 N PHE A 38 19.481 8.006 -6.047 1.00 72.31 N ATOM 551 CA PHE A 38 18.340 7.128 -5.814 1.00 23.55 C ATOM 552 C PHE A 38 18.654 6.106 -4.725 1.00 25.15 C ATOM 553 O PHE A 38 17.915 5.976 -3.750 1.00 1.14 O ATOM 554 CB PHE A 38 17.950 6.408 -7.106 1.00 44.14 C ATOM 555 CG PHE A 38 16.599 6.804 -7.629 1.00 1.31 C ATOM 556 CD1 PHE A 38 16.223 8.137 -7.674 1.00 34.10 C ATOM 557 CD2 PHE A 38 15.705 5.844 -8.074 1.00 62.04 C ATOM 558 CE1 PHE A 38 14.980 8.505 -8.155 1.00 10.14 C ATOM 559 CE2 PHE A 38 14.462 6.206 -8.556 1.00 55.14 C ATOM 560 CZ PHE A 38 14.098 7.538 -8.595 1.00 50.14 C ATOM 0 H PHE A 38 19.854 7.970 -6.996 1.00 72.31 H new ATOM 0 HA PHE A 38 17.503 7.743 -5.482 1.00 23.55 H new ATOM 0 HB2 PHE A 38 18.701 6.615 -7.869 1.00 44.14 H new ATOM 0 HB3 PHE A 38 17.962 5.332 -6.931 1.00 44.14 H new ATOM 0 HD1 PHE A 38 16.909 8.897 -7.329 1.00 34.10 H new ATOM 0 HD2 PHE A 38 15.983 4.801 -8.044 1.00 62.04 H new ATOM 0 HE1 PHE A 38 14.699 9.547 -8.187 1.00 10.14 H new ATOM 0 HE2 PHE A 38 13.775 5.448 -8.902 1.00 55.14 H new ATOM 0 HZ PHE A 38 13.126 7.822 -8.969 1.00 50.14 H new ATOM 570 N GLU A 39 19.756 5.383 -4.900 1.00 4.24 N ATOM 571 CA GLU A 39 20.168 4.372 -3.933 1.00 14.13 C ATOM 572 C GLU A 39 20.520 5.012 -2.593 1.00 1.01 C ATOM 573 O GLU A 39 20.198 4.476 -1.533 1.00 21.41 O ATOM 574 CB GLU A 39 21.366 3.583 -4.465 1.00 1.44 C ATOM 575 CG GLU A 39 22.545 4.458 -4.857 1.00 54.34 C ATOM 576 CD GLU A 39 23.708 3.657 -5.408 1.00 62.11 C ATOM 577 OE1 GLU A 39 24.279 2.843 -4.653 1.00 4.44 O ATOM 578 OE2 GLU A 39 24.047 3.844 -6.596 1.00 20.33 O ATOM 0 H GLU A 39 20.379 5.479 -5.702 1.00 4.24 H new ATOM 0 HA GLU A 39 19.332 3.689 -3.781 1.00 14.13 H new ATOM 0 HB2 GLU A 39 21.689 2.872 -3.704 1.00 1.44 H new ATOM 0 HB3 GLU A 39 21.052 3.002 -5.332 1.00 1.44 H new ATOM 0 HG2 GLU A 39 22.222 5.183 -5.604 1.00 54.34 H new ATOM 0 HG3 GLU A 39 22.878 5.024 -3.987 1.00 54.34 H new ATOM 585 N SER A 40 21.184 6.162 -2.650 1.00 1.14 N ATOM 586 CA SER A 40 21.585 6.874 -1.442 1.00 33.25 C ATOM 587 C SER A 40 20.364 7.389 -0.685 1.00 3.32 C ATOM 588 O SER A 40 20.376 7.482 0.542 1.00 12.11 O ATOM 589 CB SER A 40 22.510 8.040 -1.794 1.00 62.23 C ATOM 590 OG SER A 40 23.288 8.430 -0.676 1.00 64.40 O ATOM 0 H SER A 40 21.456 6.621 -3.520 1.00 1.14 H new ATOM 0 HA SER A 40 22.122 6.176 -0.800 1.00 33.25 H new ATOM 0 HB2 SER A 40 23.167 7.752 -2.615 1.00 62.23 H new ATOM 0 HB3 SER A 40 21.917 8.886 -2.141 1.00 62.23 H new ATOM 0 HG SER A 40 23.872 9.176 -0.928 1.00 64.40 H new ATOM 596 N GLU A 41 19.313 7.723 -1.427 1.00 1.20 N ATOM 597 CA GLU A 41 18.085 8.230 -0.826 1.00 50.43 C ATOM 598 C GLU A 41 17.221 7.085 -0.306 1.00 54.42 C ATOM 599 O GLU A 41 16.480 7.243 0.665 1.00 13.21 O ATOM 600 CB GLU A 41 17.297 9.057 -1.844 1.00 53.23 C ATOM 601 CG GLU A 41 17.826 10.471 -2.021 1.00 33.33 C ATOM 602 CD GLU A 41 16.801 11.527 -1.655 1.00 72.14 C ATOM 603 OE1 GLU A 41 15.819 11.687 -2.410 1.00 12.53 O ATOM 604 OE2 GLU A 41 16.981 12.193 -0.614 1.00 64.14 O ATOM 0 H GLU A 41 19.287 7.652 -2.444 1.00 1.20 H new ATOM 0 HA GLU A 41 18.358 8.867 0.015 1.00 50.43 H new ATOM 0 HB2 GLU A 41 17.318 8.547 -2.807 1.00 53.23 H new ATOM 0 HB3 GLU A 41 16.254 9.105 -1.531 1.00 53.23 H new ATOM 0 HG2 GLU A 41 18.714 10.603 -1.403 1.00 33.33 H new ATOM 0 HG3 GLU A 41 18.134 10.613 -3.057 1.00 33.33 H new ATOM 611 N LEU A 42 17.320 5.933 -0.959 1.00 42.05 N ATOM 612 CA LEU A 42 16.548 4.760 -0.564 1.00 53.34 C ATOM 613 C LEU A 42 17.164 4.089 0.659 1.00 14.42 C ATOM 614 O LEU A 42 16.459 3.488 1.469 1.00 14.22 O ATOM 615 CB LEU A 42 16.469 3.763 -1.722 1.00 5.13 C ATOM 616 CG LEU A 42 15.638 4.199 -2.929 1.00 1.34 C ATOM 617 CD1 LEU A 42 16.114 3.492 -4.188 1.00 53.22 C ATOM 618 CD2 LEU A 42 14.161 3.925 -2.686 1.00 61.11 C ATOM 0 H LEU A 42 17.928 5.786 -1.765 1.00 42.05 H new ATOM 0 HA LEU A 42 15.541 5.088 -0.306 1.00 53.34 H new ATOM 0 HB2 LEU A 42 17.483 3.551 -2.062 1.00 5.13 H new ATOM 0 HB3 LEU A 42 16.058 2.828 -1.342 1.00 5.13 H new ATOM 0 HG LEU A 42 15.769 5.272 -3.069 1.00 1.34 H new ATOM 0 HD11 LEU A 42 15.511 3.815 -5.037 1.00 53.22 H new ATOM 0 HD12 LEU A 42 17.160 3.739 -4.371 1.00 53.22 H new ATOM 0 HD13 LEU A 42 16.013 2.414 -4.060 1.00 53.22 H new ATOM 0 HD21 LEU A 42 13.584 4.241 -3.555 1.00 61.11 H new ATOM 0 HD22 LEU A 42 14.011 2.858 -2.520 1.00 61.11 H new ATOM 0 HD23 LEU A 42 13.828 4.479 -1.808 1.00 61.11 H new ATOM 630 N GLN A 43 18.482 4.199 0.787 1.00 70.21 N ATOM 631 CA GLN A 43 19.192 3.604 1.913 1.00 71.21 C ATOM 632 C GLN A 43 19.001 4.435 3.177 1.00 34.45 C ATOM 633 O GLN A 43 19.261 3.966 4.285 1.00 35.41 O ATOM 634 CB GLN A 43 20.682 3.476 1.593 1.00 23.42 C ATOM 635 CG GLN A 43 21.436 4.793 1.670 1.00 5.31 C ATOM 636 CD GLN A 43 22.422 4.835 2.821 1.00 0.33 C ATOM 637 OE1 GLN A 43 22.053 5.128 3.959 1.00 42.20 O ATOM 638 NE2 GLN A 43 23.684 4.542 2.531 1.00 22.34 N ATOM 0 H GLN A 43 19.080 4.694 0.125 1.00 70.21 H new ATOM 0 HA GLN A 43 18.778 2.611 2.087 1.00 71.21 H new ATOM 0 HB2 GLN A 43 21.134 2.767 2.286 1.00 23.42 H new ATOM 0 HB3 GLN A 43 20.796 3.060 0.592 1.00 23.42 H new ATOM 0 HG2 GLN A 43 21.969 4.957 0.734 1.00 5.31 H new ATOM 0 HG3 GLN A 43 20.722 5.610 1.778 1.00 5.31 H new ATOM 0 HE21 GLN A 43 23.946 4.305 1.574 1.00 22.34 H new ATOM 0 HE22 GLN A 43 24.392 4.554 3.265 1.00 22.34 H new ATOM 647 N ALA A 44 18.545 5.671 3.004 1.00 61.10 N ATOM 648 CA ALA A 44 18.318 6.566 4.131 1.00 15.43 C ATOM 649 C ALA A 44 16.927 6.362 4.723 1.00 21.32 C ATOM 650 O ALA A 44 16.643 6.808 5.835 1.00 23.31 O ATOM 651 CB ALA A 44 18.502 8.014 3.701 1.00 1.10 C ATOM 0 H ALA A 44 18.326 6.075 2.094 1.00 61.10 H new ATOM 0 HA ALA A 44 19.051 6.331 4.902 1.00 15.43 H new ATOM 0 HB1 ALA A 44 18.329 8.671 4.553 1.00 1.10 H new ATOM 0 HB2 ALA A 44 19.517 8.158 3.332 1.00 1.10 H new ATOM 0 HB3 ALA A 44 17.791 8.252 2.910 1.00 1.10 H new ATOM 764 N GLU A 52 11.336 -3.599 1.744 1.00 72.14 N ATOM 765 CA GLU A 52 11.023 -3.242 0.365 1.00 62.02 C ATOM 766 C GLU A 52 12.222 -2.583 -0.312 1.00 11.14 C ATOM 767 O GLU A 52 12.441 -2.750 -1.511 1.00 65.13 O ATOM 768 CB GLU A 52 9.817 -2.302 0.319 1.00 41.40 C ATOM 769 CG GLU A 52 9.991 -1.047 1.159 1.00 71.41 C ATOM 770 CD GLU A 52 8.668 -0.452 1.598 1.00 15.35 C ATOM 771 OE1 GLU A 52 7.894 -0.012 0.722 1.00 32.34 O ATOM 772 OE2 GLU A 52 8.406 -0.425 2.819 1.00 31.34 O ATOM 0 HA GLU A 52 10.781 -4.158 -0.174 1.00 62.02 H new ATOM 0 HB2 GLU A 52 9.631 -2.014 -0.716 1.00 41.40 H new ATOM 0 HB3 GLU A 52 8.934 -2.840 0.664 1.00 41.40 H new ATOM 0 HG2 GLU A 52 10.589 -1.283 2.039 1.00 71.41 H new ATOM 0 HG3 GLU A 52 10.547 -0.305 0.586 1.00 71.41 H new ATOM 779 N VAL A 53 12.994 -1.832 0.467 1.00 24.02 N ATOM 780 CA VAL A 53 14.171 -1.148 -0.055 1.00 40.51 C ATOM 781 C VAL A 53 15.213 -2.145 -0.550 1.00 15.11 C ATOM 782 O VAL A 53 16.090 -1.799 -1.340 1.00 71.44 O ATOM 783 CB VAL A 53 14.812 -0.240 1.011 1.00 13.45 C ATOM 784 CG1 VAL A 53 15.992 0.521 0.427 1.00 62.44 C ATOM 785 CG2 VAL A 53 13.779 0.720 1.583 1.00 3.33 C ATOM 0 H VAL A 53 12.825 -1.682 1.462 1.00 24.02 H new ATOM 0 HA VAL A 53 13.834 -0.534 -0.890 1.00 40.51 H new ATOM 0 HB VAL A 53 15.182 -0.867 1.822 1.00 13.45 H new ATOM 0 HG11 VAL A 53 16.431 1.157 1.196 1.00 62.44 H new ATOM 0 HG12 VAL A 53 16.740 -0.186 0.070 1.00 62.44 H new ATOM 0 HG13 VAL A 53 15.651 1.139 -0.404 1.00 62.44 H new ATOM 0 HG21 VAL A 53 14.249 1.354 2.335 1.00 3.33 H new ATOM 0 HG22 VAL A 53 13.378 1.342 0.783 1.00 3.33 H new ATOM 0 HG23 VAL A 53 12.969 0.152 2.042 1.00 3.33 H new ATOM 795 N GLU A 54 15.108 -3.384 -0.079 1.00 43.31 N ATOM 796 CA GLU A 54 16.042 -4.431 -0.474 1.00 63.51 C ATOM 797 C GLU A 54 16.171 -4.501 -1.993 1.00 73.41 C ATOM 798 O GLU A 54 17.260 -4.343 -2.542 1.00 65.24 O ATOM 799 CB GLU A 54 15.586 -5.785 0.073 1.00 74.51 C ATOM 800 CG GLU A 54 15.692 -5.899 1.584 1.00 4.44 C ATOM 801 CD GLU A 54 17.050 -6.401 2.037 1.00 13.44 C ATOM 802 OE1 GLU A 54 18.047 -6.132 1.336 1.00 52.25 O ATOM 803 OE2 GLU A 54 17.114 -7.062 3.095 1.00 61.33 O ATOM 0 H GLU A 54 14.386 -3.686 0.576 1.00 43.31 H new ATOM 0 HA GLU A 54 17.018 -4.188 -0.055 1.00 63.51 H new ATOM 0 HB2 GLU A 54 14.552 -5.957 -0.224 1.00 74.51 H new ATOM 0 HB3 GLU A 54 16.185 -6.572 -0.385 1.00 74.51 H new ATOM 0 HG2 GLU A 54 15.501 -4.924 2.033 1.00 4.44 H new ATOM 0 HG3 GLU A 54 14.919 -6.575 1.949 1.00 4.44 H new ATOM 810 N ALA A 55 15.049 -4.740 -2.665 1.00 64.24 N ATOM 811 CA ALA A 55 15.035 -4.830 -4.120 1.00 44.12 C ATOM 812 C ALA A 55 15.578 -3.554 -4.754 1.00 43.32 C ATOM 813 O ALA A 55 16.240 -3.597 -5.792 1.00 42.21 O ATOM 814 CB ALA A 55 13.625 -5.110 -4.618 1.00 62.21 C ATOM 0 H ALA A 55 14.139 -4.875 -2.225 1.00 64.24 H new ATOM 0 HA ALA A 55 15.683 -5.655 -4.414 1.00 44.12 H new ATOM 0 HB1 ALA A 55 13.630 -5.175 -5.706 1.00 62.21 H new ATOM 0 HB2 ALA A 55 13.272 -6.053 -4.200 1.00 62.21 H new ATOM 0 HB3 ALA A 55 12.962 -4.304 -4.305 1.00 62.21 H new ATOM 820 N LEU A 56 15.294 -2.419 -4.125 1.00 1.12 N ATOM 821 CA LEU A 56 15.754 -1.129 -4.628 1.00 73.00 C ATOM 822 C LEU A 56 17.274 -1.030 -4.563 1.00 44.23 C ATOM 823 O LEU A 56 17.915 -0.542 -5.495 1.00 74.41 O ATOM 824 CB LEU A 56 15.122 0.009 -3.824 1.00 22.32 C ATOM 825 CG LEU A 56 13.655 0.313 -4.129 1.00 61.31 C ATOM 826 CD1 LEU A 56 12.984 0.965 -2.930 1.00 63.40 C ATOM 827 CD2 LEU A 56 13.539 1.204 -5.357 1.00 65.01 C ATOM 0 H LEU A 56 14.747 -2.366 -3.266 1.00 1.12 H new ATOM 0 HA LEU A 56 15.447 -1.043 -5.670 1.00 73.00 H new ATOM 0 HB2 LEU A 56 15.210 -0.230 -2.764 1.00 22.32 H new ATOM 0 HB3 LEU A 56 15.703 0.915 -3.996 1.00 22.32 H new ATOM 0 HG LEU A 56 13.145 -0.628 -4.338 1.00 61.31 H new ATOM 0 HD11 LEU A 56 11.941 1.174 -3.166 1.00 63.40 H new ATOM 0 HD12 LEU A 56 13.035 0.292 -2.074 1.00 63.40 H new ATOM 0 HD13 LEU A 56 13.495 1.897 -2.689 1.00 63.40 H new ATOM 0 HD21 LEU A 56 12.488 1.410 -5.559 1.00 65.01 H new ATOM 0 HD22 LEU A 56 14.064 2.142 -5.177 1.00 65.01 H new ATOM 0 HD23 LEU A 56 13.981 0.699 -6.216 1.00 65.01 H new ATOM 839 N ARG A 57 17.846 -1.497 -3.458 1.00 42.13 N ATOM 840 CA ARG A 57 19.292 -1.462 -3.273 1.00 12.43 C ATOM 841 C ARG A 57 19.993 -2.354 -4.293 1.00 11.31 C ATOM 842 O ARG A 57 21.004 -1.968 -4.880 1.00 23.51 O ATOM 843 CB ARG A 57 19.656 -1.906 -1.855 1.00 23.01 C ATOM 844 CG ARG A 57 21.150 -2.080 -1.636 1.00 44.14 C ATOM 845 CD ARG A 57 21.585 -3.517 -1.878 1.00 42.12 C ATOM 846 NE ARG A 57 22.210 -4.106 -0.697 1.00 2.21 N ATOM 847 CZ ARG A 57 22.809 -5.292 -0.696 1.00 54.32 C ATOM 848 NH1 ARG A 57 22.863 -6.011 -1.809 1.00 22.14 N ATOM 849 NH2 ARG A 57 23.355 -5.760 0.419 1.00 75.11 N ATOM 0 H ARG A 57 17.331 -1.904 -2.678 1.00 42.13 H new ATOM 0 HA ARG A 57 19.628 -0.436 -3.423 1.00 12.43 H new ATOM 0 HB2 ARG A 57 19.276 -1.172 -1.145 1.00 23.01 H new ATOM 0 HB3 ARG A 57 19.153 -2.849 -1.638 1.00 23.01 H new ATOM 0 HG2 ARG A 57 21.697 -1.416 -2.305 1.00 44.14 H new ATOM 0 HG3 ARG A 57 21.406 -1.788 -0.618 1.00 44.14 H new ATOM 0 HD2 ARG A 57 20.720 -4.114 -2.166 1.00 42.12 H new ATOM 0 HD3 ARG A 57 22.286 -3.548 -2.712 1.00 42.12 H new ATOM 0 HE ARG A 57 22.185 -3.578 0.175 1.00 2.21 H new ATOM 0 HH11 ARG A 57 22.444 -5.654 -2.668 1.00 22.14 H new ATOM 0 HH12 ARG A 57 23.323 -6.921 -1.806 1.00 22.14 H new ATOM 0 HH21 ARG A 57 23.315 -5.209 1.277 1.00 75.11 H new ATOM 0 HH22 ARG A 57 23.815 -6.671 0.419 1.00 75.11 H new ATOM 863 N LYS A 58 19.449 -3.548 -4.499 1.00 61.41 N ATOM 864 CA LYS A 58 20.021 -4.496 -5.448 1.00 75.24 C ATOM 865 C LYS A 58 19.967 -3.943 -6.869 1.00 12.02 C ATOM 866 O LYS A 58 20.998 -3.782 -7.521 1.00 31.13 O ATOM 867 CB LYS A 58 19.274 -5.830 -5.381 1.00 32.33 C ATOM 868 CG LYS A 58 19.912 -6.928 -6.214 1.00 44.22 C ATOM 869 CD LYS A 58 21.014 -7.640 -5.448 1.00 22.31 C ATOM 870 CE LYS A 58 22.006 -8.307 -6.389 1.00 2.33 C ATOM 871 NZ LYS A 58 23.126 -8.951 -5.648 1.00 43.32 N ATOM 0 H LYS A 58 18.612 -3.883 -4.021 1.00 61.41 H new ATOM 0 HA LYS A 58 21.065 -4.657 -5.178 1.00 75.24 H new ATOM 0 HB2 LYS A 58 19.224 -6.157 -4.342 1.00 32.33 H new ATOM 0 HB3 LYS A 58 18.248 -5.680 -5.718 1.00 32.33 H new ATOM 0 HG2 LYS A 58 19.151 -7.649 -6.512 1.00 44.22 H new ATOM 0 HG3 LYS A 58 20.322 -6.500 -7.129 1.00 44.22 H new ATOM 0 HD2 LYS A 58 21.537 -6.925 -4.813 1.00 22.31 H new ATOM 0 HD3 LYS A 58 20.575 -8.390 -4.790 1.00 22.31 H new ATOM 0 HE2 LYS A 58 21.490 -9.056 -6.990 1.00 2.33 H new ATOM 0 HE3 LYS A 58 22.407 -7.565 -7.080 1.00 2.33 H new ATOM 0 HZ1 LYS A 58 23.780 -9.394 -6.324 1.00 43.32 H new ATOM 0 HZ2 LYS A 58 23.635 -8.232 -5.094 1.00 43.32 H new ATOM 0 HZ3 LYS A 58 22.746 -9.677 -5.007 1.00 43.32 H new ATOM 885 N GLU A 59 18.758 -3.653 -7.341 1.00 4.42 N ATOM 886 CA GLU A 59 18.572 -3.117 -8.684 1.00 41.40 C ATOM 887 C GLU A 59 19.426 -1.869 -8.895 1.00 73.43 C ATOM 888 O GLU A 59 20.169 -1.771 -9.871 1.00 22.21 O ATOM 889 CB GLU A 59 17.098 -2.786 -8.925 1.00 52.13 C ATOM 890 CG GLU A 59 16.209 -4.013 -9.039 1.00 24.34 C ATOM 891 CD GLU A 59 15.513 -4.108 -10.382 1.00 42.45 C ATOM 892 OE1 GLU A 59 15.142 -3.051 -10.934 1.00 54.02 O ATOM 893 OE2 GLU A 59 15.341 -5.239 -10.882 1.00 74.13 O ATOM 0 H GLU A 59 17.894 -3.780 -6.814 1.00 4.42 H new ATOM 0 HA GLU A 59 18.888 -3.878 -9.398 1.00 41.40 H new ATOM 0 HB2 GLU A 59 16.737 -2.161 -8.109 1.00 52.13 H new ATOM 0 HB3 GLU A 59 17.011 -2.199 -9.839 1.00 52.13 H new ATOM 0 HG2 GLU A 59 16.811 -4.908 -8.882 1.00 24.34 H new ATOM 0 HG3 GLU A 59 15.460 -3.989 -8.247 1.00 24.34 H new ATOM 900 N ALA A 60 19.312 -0.919 -7.974 1.00 11.34 N ATOM 901 CA ALA A 60 20.073 0.321 -8.057 1.00 43.43 C ATOM 902 C ALA A 60 21.558 0.041 -8.263 1.00 40.21 C ATOM 903 O ALA A 60 22.178 0.573 -9.184 1.00 32.22 O ATOM 904 CB ALA A 60 19.861 1.157 -6.804 1.00 33.14 C ATOM 0 H ALA A 60 18.700 -0.984 -7.161 1.00 11.34 H new ATOM 0 HA ALA A 60 19.712 0.882 -8.919 1.00 43.43 H new ATOM 0 HB1 ALA A 60 20.436 2.080 -6.881 1.00 33.14 H new ATOM 0 HB2 ALA A 60 18.803 1.396 -6.701 1.00 33.14 H new ATOM 0 HB3 ALA A 60 20.193 0.595 -5.931 1.00 33.14 H new ATOM 910 N ALA A 61 22.123 -0.796 -7.399 1.00 73.34 N ATOM 911 CA ALA A 61 23.535 -1.148 -7.488 1.00 15.22 C ATOM 912 C ALA A 61 23.884 -1.671 -8.877 1.00 2.31 C ATOM 913 O ALA A 61 24.889 -1.273 -9.465 1.00 51.45 O ATOM 914 CB ALA A 61 23.889 -2.181 -6.428 1.00 55.13 C ATOM 0 H ALA A 61 21.625 -1.243 -6.629 1.00 73.34 H new ATOM 0 HA ALA A 61 24.121 -0.246 -7.311 1.00 15.22 H new ATOM 0 HB1 ALA A 61 24.946 -2.435 -6.506 1.00 55.13 H new ATOM 0 HB2 ALA A 61 23.686 -1.771 -5.439 1.00 55.13 H new ATOM 0 HB3 ALA A 61 23.289 -3.078 -6.579 1.00 55.13 H new ATOM 920 N ALA A 62 23.049 -2.565 -9.395 1.00 31.20 N ATOM 921 CA ALA A 62 23.270 -3.141 -10.716 1.00 35.44 C ATOM 922 C ALA A 62 23.328 -2.056 -11.785 1.00 62.12 C ATOM 923 O ALA A 62 24.207 -2.069 -12.648 1.00 75.22 O ATOM 924 CB ALA A 62 22.176 -4.148 -11.042 1.00 1.14 C ATOM 0 H ALA A 62 22.213 -2.906 -8.920 1.00 31.20 H new ATOM 0 HA ALA A 62 24.231 -3.655 -10.705 1.00 35.44 H new ATOM 0 HB1 ALA A 62 22.353 -4.570 -12.031 1.00 1.14 H new ATOM 0 HB2 ALA A 62 22.183 -4.946 -10.300 1.00 1.14 H new ATOM 0 HB3 ALA A 62 21.207 -3.649 -11.029 1.00 1.14 H new ATOM 930 N ILE A 63 22.388 -1.119 -11.723 1.00 22.11 N ATOM 931 CA ILE A 63 22.334 -0.027 -12.686 1.00 43.34 C ATOM 932 C ILE A 63 23.614 0.802 -12.650 1.00 52.11 C ATOM 933 O ILE A 63 24.185 1.127 -13.691 1.00 71.33 O ATOM 934 CB ILE A 63 21.130 0.897 -12.424 1.00 21.25 C ATOM 935 CG1 ILE A 63 19.825 0.101 -12.490 1.00 21.14 C ATOM 936 CG2 ILE A 63 21.111 2.040 -13.427 1.00 12.43 C ATOM 937 CD1 ILE A 63 18.787 0.559 -11.489 1.00 72.44 C ATOM 0 H ILE A 63 21.653 -1.094 -11.016 1.00 22.11 H new ATOM 0 HA ILE A 63 22.225 -0.481 -13.671 1.00 43.34 H new ATOM 0 HB ILE A 63 21.226 1.319 -11.424 1.00 21.25 H new ATOM 0 HG12 ILE A 63 19.410 0.182 -13.495 1.00 21.14 H new ATOM 0 HG13 ILE A 63 20.043 -0.953 -12.319 1.00 21.14 H new ATOM 0 HG21 ILE A 63 20.254 2.684 -13.229 1.00 12.43 H new ATOM 0 HG22 ILE A 63 22.030 2.620 -13.336 1.00 12.43 H new ATOM 0 HG23 ILE A 63 21.036 1.637 -14.437 1.00 12.43 H new ATOM 0 HD11 ILE A 63 17.888 -0.049 -11.593 1.00 72.44 H new ATOM 0 HD12 ILE A 63 19.183 0.452 -10.479 1.00 72.44 H new ATOM 0 HD13 ILE A 63 18.540 1.605 -11.673 1.00 72.44 H new ATOM 949 N ARG A 64 24.060 1.140 -11.444 1.00 75.35 N ATOM 950 CA ARG A 64 25.272 1.930 -11.272 1.00 44.21 C ATOM 951 C ARG A 64 26.468 1.240 -11.921 1.00 62.43 C ATOM 952 O ARG A 64 27.241 1.866 -12.646 1.00 41.24 O ATOM 953 CB ARG A 64 25.549 2.162 -9.785 1.00 72.44 C ATOM 954 CG ARG A 64 26.866 2.869 -9.514 1.00 2.42 C ATOM 955 CD ARG A 64 27.954 1.886 -9.110 1.00 13.34 C ATOM 956 NE ARG A 64 28.807 2.419 -8.050 1.00 73.25 N ATOM 957 CZ ARG A 64 28.477 2.403 -6.764 1.00 10.22 C ATOM 958 NH1 ARG A 64 27.319 1.884 -6.379 1.00 1.41 N ATOM 959 NH2 ARG A 64 29.307 2.907 -5.859 1.00 34.11 N ATOM 0 H ARG A 64 23.600 0.879 -10.572 1.00 75.35 H new ATOM 0 HA ARG A 64 25.120 2.892 -11.761 1.00 44.21 H new ATOM 0 HB2 ARG A 64 24.736 2.751 -9.360 1.00 72.44 H new ATOM 0 HB3 ARG A 64 25.549 1.201 -9.270 1.00 72.44 H new ATOM 0 HG2 ARG A 64 27.178 3.413 -10.406 1.00 2.42 H new ATOM 0 HG3 ARG A 64 26.728 3.606 -8.723 1.00 2.42 H new ATOM 0 HD2 ARG A 64 27.496 0.956 -8.773 1.00 13.34 H new ATOM 0 HD3 ARG A 64 28.565 1.644 -9.980 1.00 13.34 H new ATOM 0 HE ARG A 64 29.705 2.826 -8.312 1.00 73.25 H new ATOM 0 HH11 ARG A 64 26.679 1.496 -7.072 1.00 1.41 H new ATOM 0 HH12 ARG A 64 27.069 1.873 -5.390 1.00 1.41 H new ATOM 0 HH21 ARG A 64 30.199 3.307 -6.151 1.00 34.11 H new ATOM 0 HH22 ARG A 64 29.053 2.895 -4.871 1.00 34.11 H new ATOM 973 N ASP A 65 26.614 -0.054 -11.655 1.00 51.33 N ATOM 974 CA ASP A 65 27.715 -0.830 -12.214 1.00 10.22 C ATOM 975 C ASP A 65 27.679 -0.804 -13.739 1.00 23.34 C ATOM 976 O ASP A 65 28.713 -0.656 -14.390 1.00 74.32 O ATOM 977 CB ASP A 65 27.654 -2.274 -11.714 1.00 21.01 C ATOM 978 CG ASP A 65 28.067 -2.402 -10.261 1.00 15.44 C ATOM 979 OD1 ASP A 65 29.226 -2.065 -9.942 1.00 13.14 O ATOM 980 OD2 ASP A 65 27.230 -2.839 -9.442 1.00 42.14 O ATOM 0 H ASP A 65 25.984 -0.587 -11.056 1.00 51.33 H new ATOM 0 HA ASP A 65 28.650 -0.378 -11.883 1.00 10.22 H new ATOM 0 HB2 ASP A 65 26.640 -2.655 -11.835 1.00 21.01 H new ATOM 0 HB3 ASP A 65 28.304 -2.896 -12.329 1.00 21.01 H new ATOM 985 N GLU A 66 26.483 -0.951 -14.300 1.00 43.32 N ATOM 986 CA GLU A 66 26.314 -0.946 -15.749 1.00 25.34 C ATOM 987 C GLU A 66 26.723 0.400 -16.340 1.00 22.22 C ATOM 988 O GLU A 66 27.422 0.459 -17.352 1.00 70.54 O ATOM 989 CB GLU A 66 24.862 -1.257 -16.116 1.00 30.21 C ATOM 990 CG GLU A 66 24.342 -2.546 -15.503 1.00 34.42 C ATOM 991 CD GLU A 66 24.184 -3.656 -16.524 1.00 52.02 C ATOM 992 OE1 GLU A 66 25.131 -3.881 -17.306 1.00 43.43 O ATOM 993 OE2 GLU A 66 23.114 -4.299 -16.542 1.00 33.12 O ATOM 0 H GLU A 66 25.618 -1.075 -13.774 1.00 43.32 H new ATOM 0 HA GLU A 66 26.960 -1.718 -16.167 1.00 25.34 H new ATOM 0 HB2 GLU A 66 24.229 -0.430 -15.793 1.00 30.21 H new ATOM 0 HB3 GLU A 66 24.776 -1.320 -17.201 1.00 30.21 H new ATOM 0 HG2 GLU A 66 25.026 -2.873 -14.720 1.00 34.42 H new ATOM 0 HG3 GLU A 66 23.380 -2.355 -15.027 1.00 34.42 H new ATOM 1000 N CYS A 67 26.282 1.478 -15.701 1.00 64.13 N ATOM 1001 CA CYS A 67 26.601 2.824 -16.164 1.00 14.10 C ATOM 1002 C CYS A 67 28.109 3.046 -16.196 1.00 23.34 C ATOM 1003 O CYS A 67 28.642 3.618 -17.146 1.00 72.01 O ATOM 1004 CB CYS A 67 25.939 3.866 -15.261 1.00 33.00 C ATOM 1005 SG CYS A 67 24.134 3.762 -15.213 1.00 62.41 S ATOM 0 H CYS A 67 25.703 1.446 -14.862 1.00 64.13 H new ATOM 0 HA CYS A 67 26.215 2.934 -17.178 1.00 14.10 H new ATOM 0 HB2 CYS A 67 26.326 3.752 -14.248 1.00 33.00 H new ATOM 0 HB3 CYS A 67 26.226 4.861 -15.601 1.00 33.00 H new ATOM 0 HG CYS A 67 23.778 2.677 -14.591 1.00 62.41 H new ATOM 1011 N GLN A 68 28.791 2.590 -15.150 1.00 1.14 N ATOM 1012 CA GLN A 68 30.238 2.741 -15.057 1.00 45.22 C ATOM 1013 C GLN A 68 30.947 1.796 -16.022 1.00 21.24 C ATOM 1014 O GLN A 68 32.043 2.088 -16.499 1.00 71.15 O ATOM 1015 CB GLN A 68 30.710 2.476 -13.626 1.00 53.52 C ATOM 1016 CG GLN A 68 30.118 3.433 -12.604 1.00 12.30 C ATOM 1017 CD GLN A 68 31.176 4.099 -11.746 1.00 70.32 C ATOM 1018 OE1 GLN A 68 31.991 3.427 -11.113 1.00 41.02 O ATOM 1019 NE2 GLN A 68 31.169 5.426 -11.721 1.00 1.30 N ATOM 0 H GLN A 68 28.365 2.113 -14.355 1.00 1.14 H new ATOM 0 HA GLN A 68 30.489 3.766 -15.330 1.00 45.22 H new ATOM 0 HB2 GLN A 68 30.449 1.455 -13.349 1.00 53.52 H new ATOM 0 HB3 GLN A 68 31.797 2.547 -13.592 1.00 53.52 H new ATOM 0 HG2 GLN A 68 29.540 4.199 -13.121 1.00 12.30 H new ATOM 0 HG3 GLN A 68 29.424 2.890 -11.962 1.00 12.30 H new ATOM 0 HE21 GLN A 68 30.475 5.943 -12.261 1.00 1.30 H new ATOM 0 HE22 GLN A 68 31.858 5.929 -11.162 1.00 1.30 H new ATOM 1028 N ALA A 69 30.314 0.662 -16.303 1.00 21.41 N ATOM 1029 CA ALA A 69 30.883 -0.326 -17.212 1.00 4.25 C ATOM 1030 C ALA A 69 30.854 0.173 -18.652 1.00 62.23 C ATOM 1031 O ALA A 69 31.604 -0.310 -19.502 1.00 12.33 O ATOM 1032 CB ALA A 69 30.136 -1.646 -17.092 1.00 54.54 C ATOM 0 H ALA A 69 29.407 0.404 -15.914 1.00 21.41 H new ATOM 0 HA ALA A 69 31.924 -0.485 -16.932 1.00 4.25 H new ATOM 0 HB1 ALA A 69 30.572 -2.374 -17.776 1.00 54.54 H new ATOM 0 HB2 ALA A 69 30.214 -2.017 -16.070 1.00 54.54 H new ATOM 0 HB3 ALA A 69 29.086 -1.494 -17.344 1.00 54.54 H new ATOM 1038 N TYR A 70 29.984 1.140 -18.921 1.00 64.01 N ATOM 1039 CA TYR A 70 29.856 1.702 -20.260 1.00 74.45 C ATOM 1040 C TYR A 70 31.130 2.435 -20.669 1.00 32.24 C ATOM 1041 O TYR A 70 31.583 2.328 -21.808 1.00 73.14 O ATOM 1042 CB TYR A 70 28.662 2.656 -20.323 1.00 42.34 C ATOM 1043 CG TYR A 70 27.332 1.980 -20.076 1.00 44.43 C ATOM 1044 CD1 TYR A 70 27.193 0.605 -20.219 1.00 11.20 C ATOM 1045 CD2 TYR A 70 26.215 2.717 -19.701 1.00 65.52 C ATOM 1046 CE1 TYR A 70 25.980 -0.017 -19.995 1.00 12.20 C ATOM 1047 CE2 TYR A 70 24.999 2.103 -19.474 1.00 31.13 C ATOM 1048 CZ TYR A 70 24.886 0.736 -19.622 1.00 41.20 C ATOM 1049 OH TYR A 70 23.676 0.121 -19.398 1.00 14.43 O ATOM 0 H TYR A 70 29.357 1.551 -18.229 1.00 64.01 H new ATOM 0 HA TYR A 70 29.693 0.880 -20.957 1.00 74.45 H new ATOM 0 HB2 TYR A 70 28.800 3.447 -19.586 1.00 42.34 H new ATOM 0 HB3 TYR A 70 28.641 3.134 -21.303 1.00 42.34 H new ATOM 0 HD1 TYR A 70 28.048 0.012 -20.510 1.00 11.20 H new ATOM 0 HD2 TYR A 70 26.299 3.787 -19.585 1.00 65.52 H new ATOM 0 HE1 TYR A 70 25.889 -1.087 -20.111 1.00 12.20 H new ATOM 0 HE2 TYR A 70 24.141 2.690 -19.182 1.00 31.13 H new ATOM 0 HH TYR A 70 23.010 0.793 -19.142 1.00 14.43 H new ATOM 1059 N ARG A 71 31.703 3.179 -19.729 1.00 1.23 N ATOM 1060 CA ARG A 71 32.925 3.931 -19.989 1.00 53.11 C ATOM 1061 C ARG A 71 33.351 4.721 -18.755 1.00 33.42 C ATOM 1062 O ARG A 71 33.541 5.936 -18.817 1.00 70.32 O ATOM 1063 CB ARG A 71 32.722 4.881 -21.171 1.00 12.54 C ATOM 1064 CG ARG A 71 31.452 5.711 -21.074 1.00 1.43 C ATOM 1065 CD ARG A 71 30.376 5.195 -22.016 1.00 41.42 C ATOM 1066 NE ARG A 71 29.967 6.208 -22.986 1.00 72.41 N ATOM 1067 CZ ARG A 71 30.642 6.476 -24.098 1.00 63.40 C ATOM 1068 NH1 ARG A 71 31.754 5.810 -24.379 1.00 73.43 N ATOM 1069 NH2 ARG A 71 30.206 7.411 -24.932 1.00 0.34 N ATOM 0 H ARG A 71 31.341 3.277 -18.781 1.00 1.23 H new ATOM 0 HA ARG A 71 33.714 3.220 -20.234 1.00 53.11 H new ATOM 0 HB2 ARG A 71 33.579 5.551 -21.239 1.00 12.54 H new ATOM 0 HB3 ARG A 71 32.697 4.300 -22.093 1.00 12.54 H new ATOM 0 HG2 ARG A 71 31.080 5.691 -20.050 1.00 1.43 H new ATOM 0 HG3 ARG A 71 31.677 6.751 -21.311 1.00 1.43 H new ATOM 0 HD2 ARG A 71 30.747 4.316 -22.544 1.00 41.42 H new ATOM 0 HD3 ARG A 71 29.509 4.877 -21.437 1.00 41.42 H new ATOM 0 HE ARG A 71 29.116 6.739 -22.799 1.00 72.41 H new ATOM 0 HH11 ARG A 71 32.093 5.090 -23.741 1.00 73.43 H new ATOM 0 HH12 ARG A 71 32.271 6.018 -25.234 1.00 73.43 H new ATOM 0 HH21 ARG A 71 29.351 7.925 -24.720 1.00 0.34 H new ATOM 0 HH22 ARG A 71 30.726 7.616 -25.786 1.00 0.34 H new