USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=8 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= 0.803 USER MOD Set 1.2: A 67 CYS SG : rot 74:sc= 1.15 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -178:sc= 0.0223 (180deg=0) USER MOD Set 2.2: A 19 GLN : amide:sc= 0.0256 X(o=0.048,f=0) 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 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 68:sc= 0.697 USER MOD Single : A 28 CYS SG : rot 180:sc= -2.71! 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=-0.031) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.69) USER MOD Single : A 70 TYR OH : rot 73:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 5.826 3.480 -1.418 1.00 72.20 N ATOM 26 CA SER A 3 6.374 4.214 -2.552 1.00 64.13 C ATOM 27 C SER A 3 7.267 3.314 -3.401 1.00 42.13 C ATOM 28 O SER A 3 8.222 3.778 -4.024 1.00 3.52 O ATOM 29 CB SER A 3 7.169 5.427 -2.065 1.00 42.14 C ATOM 30 OG SER A 3 7.077 6.500 -2.986 1.00 51.32 O ATOM 0 HA SER A 3 5.542 4.557 -3.168 1.00 64.13 H new ATOM 0 HB2 SER A 3 6.794 5.745 -1.092 1.00 42.14 H new ATOM 0 HB3 SER A 3 8.214 5.150 -1.928 1.00 42.14 H new ATOM 0 HG SER A 3 7.592 7.264 -2.651 1.00 51.32 H new ATOM 36 N TRP A 4 6.949 2.025 -3.421 1.00 31.12 N ATOM 37 CA TRP A 4 7.722 1.059 -4.193 1.00 73.31 C ATOM 38 C TRP A 4 7.340 1.111 -5.668 1.00 44.24 C ATOM 39 O TRP A 4 8.207 1.155 -6.541 1.00 74.25 O ATOM 40 CB TRP A 4 7.503 -0.353 -3.647 1.00 62.31 C ATOM 41 CG TRP A 4 8.567 -1.323 -4.065 1.00 1.13 C ATOM 42 CD1 TRP A 4 9.563 -1.106 -4.974 1.00 13.30 C ATOM 43 CD2 TRP A 4 8.740 -2.663 -3.590 1.00 54.41 C ATOM 44 NE1 TRP A 4 10.344 -2.230 -5.093 1.00 52.12 N ATOM 45 CE2 TRP A 4 9.860 -3.199 -4.254 1.00 44.31 C ATOM 46 CE3 TRP A 4 8.058 -3.461 -2.667 1.00 41.35 C ATOM 47 CZ2 TRP A 4 10.311 -4.496 -4.024 1.00 44.32 C ATOM 48 CZ3 TRP A 4 8.507 -4.748 -2.441 1.00 12.13 C ATOM 49 CH2 TRP A 4 9.625 -5.255 -3.116 1.00 0.11 C ATOM 0 H TRP A 4 6.161 1.624 -2.912 1.00 31.12 H new ATOM 0 HA TRP A 4 8.777 1.318 -4.100 1.00 73.31 H new ATOM 0 HB2 TRP A 4 7.466 -0.312 -2.558 1.00 62.31 H new ATOM 0 HB3 TRP A 4 6.534 -0.720 -3.985 1.00 62.31 H new ATOM 0 HD1 TRP A 4 9.714 -0.186 -5.519 1.00 13.30 H new ATOM 0 HE1 TRP A 4 11.153 -2.327 -5.707 1.00 52.12 H new ATOM 0 HE3 TRP A 4 7.196 -3.079 -2.140 1.00 41.35 H new ATOM 0 HZ2 TRP A 4 11.172 -4.889 -4.544 1.00 44.32 H new ATOM 0 HZ3 TRP A 4 7.987 -5.374 -1.731 1.00 12.13 H new ATOM 0 HH2 TRP A 4 9.952 -6.265 -2.916 1.00 0.11 H new ATOM 60 N ALA A 5 6.039 1.107 -5.939 1.00 64.15 N ATOM 61 CA ALA A 5 5.544 1.156 -7.310 1.00 4.34 C ATOM 62 C ALA A 5 6.203 2.289 -8.091 1.00 34.45 C ATOM 63 O ALA A 5 6.711 2.081 -9.192 1.00 12.03 O ATOM 64 CB ALA A 5 4.031 1.316 -7.319 1.00 3.34 C ATOM 0 H ALA A 5 5.309 1.070 -5.228 1.00 64.15 H new ATOM 0 HA ALA A 5 5.802 0.216 -7.798 1.00 4.34 H new ATOM 0 HB1 ALA A 5 3.675 1.351 -8.349 1.00 3.34 H new ATOM 0 HB2 ALA A 5 3.573 0.471 -6.805 1.00 3.34 H new ATOM 0 HB3 ALA A 5 3.760 2.241 -6.810 1.00 3.34 H new ATOM 70 N GLU A 6 6.189 3.486 -7.513 1.00 74.01 N ATOM 71 CA GLU A 6 6.783 4.651 -8.157 1.00 44.14 C ATOM 72 C GLU A 6 8.265 4.419 -8.440 1.00 0.30 C ATOM 73 O GLU A 6 8.733 4.618 -9.561 1.00 61.23 O ATOM 74 CB GLU A 6 6.608 5.892 -7.279 1.00 65.14 C ATOM 75 CG GLU A 6 5.354 6.689 -7.595 1.00 41.12 C ATOM 76 CD GLU A 6 5.466 8.142 -7.177 1.00 15.25 C ATOM 77 OE1 GLU A 6 6.100 8.413 -6.136 1.00 11.52 O ATOM 78 OE2 GLU A 6 4.918 9.008 -7.891 1.00 11.44 O ATOM 0 H GLU A 6 5.773 3.674 -6.601 1.00 74.01 H new ATOM 0 HA GLU A 6 6.270 4.811 -9.105 1.00 44.14 H new ATOM 0 HB2 GLU A 6 6.580 5.586 -6.233 1.00 65.14 H new ATOM 0 HB3 GLU A 6 7.478 6.537 -7.399 1.00 65.14 H new ATOM 0 HG2 GLU A 6 5.155 6.637 -8.665 1.00 41.12 H new ATOM 0 HG3 GLU A 6 4.502 6.234 -7.090 1.00 41.12 H new ATOM 85 N PHE A 7 8.998 3.998 -7.415 1.00 1.44 N ATOM 86 CA PHE A 7 10.427 3.741 -7.551 1.00 71.20 C ATOM 87 C PHE A 7 10.688 2.671 -8.607 1.00 43.13 C ATOM 88 O PHE A 7 11.676 2.734 -9.340 1.00 75.43 O ATOM 89 CB PHE A 7 11.018 3.304 -6.209 1.00 64.02 C ATOM 90 CG PHE A 7 11.735 4.406 -5.482 1.00 55.24 C ATOM 91 CD1 PHE A 7 11.028 5.460 -4.925 1.00 21.31 C ATOM 92 CD2 PHE A 7 13.114 4.389 -5.357 1.00 44.13 C ATOM 93 CE1 PHE A 7 11.684 6.475 -4.255 1.00 51.42 C ATOM 94 CE2 PHE A 7 13.776 5.402 -4.688 1.00 74.33 C ATOM 95 CZ PHE A 7 13.060 6.447 -4.138 1.00 33.23 C ATOM 0 H PHE A 7 8.626 3.827 -6.481 1.00 1.44 H new ATOM 0 HA PHE A 7 10.909 4.666 -7.868 1.00 71.20 H new ATOM 0 HB2 PHE A 7 10.217 2.923 -5.575 1.00 64.02 H new ATOM 0 HB3 PHE A 7 11.711 2.480 -6.377 1.00 64.02 H new ATOM 0 HD1 PHE A 7 9.952 5.488 -5.016 1.00 21.31 H new ATOM 0 HD2 PHE A 7 13.679 3.575 -5.787 1.00 44.13 H new ATOM 0 HE1 PHE A 7 11.121 7.289 -3.823 1.00 51.42 H new ATOM 0 HE2 PHE A 7 14.852 5.376 -4.596 1.00 74.33 H new ATOM 0 HZ PHE A 7 13.575 7.241 -3.617 1.00 33.23 H new ATOM 105 N LYS A 8 9.797 1.689 -8.679 1.00 35.31 N ATOM 106 CA LYS A 8 9.928 0.604 -9.645 1.00 10.33 C ATOM 107 C LYS A 8 9.788 1.126 -11.071 1.00 42.22 C ATOM 108 O LYS A 8 10.551 0.744 -11.958 1.00 52.22 O ATOM 109 CB LYS A 8 8.874 -0.473 -9.379 1.00 64.31 C ATOM 110 CG LYS A 8 9.152 -1.302 -8.137 1.00 32.21 C ATOM 111 CD LYS A 8 8.925 -2.783 -8.392 1.00 40.23 C ATOM 112 CE LYS A 8 7.486 -3.065 -8.796 1.00 11.33 C ATOM 113 NZ LYS A 8 7.058 -4.436 -8.402 1.00 50.22 N ATOM 0 H LYS A 8 8.975 1.622 -8.079 1.00 35.31 H new ATOM 0 HA LYS A 8 10.921 0.168 -9.532 1.00 10.33 H new ATOM 0 HB2 LYS A 8 7.898 0.002 -9.277 1.00 64.31 H new ATOM 0 HB3 LYS A 8 8.817 -1.135 -10.243 1.00 64.31 H new ATOM 0 HG2 LYS A 8 10.180 -1.141 -7.814 1.00 32.21 H new ATOM 0 HG3 LYS A 8 8.507 -0.969 -7.324 1.00 32.21 H new ATOM 0 HD2 LYS A 8 9.598 -3.125 -9.178 1.00 40.23 H new ATOM 0 HD3 LYS A 8 9.169 -3.350 -7.494 1.00 40.23 H new ATOM 0 HE2 LYS A 8 6.828 -2.331 -8.331 1.00 11.33 H new ATOM 0 HE3 LYS A 8 7.382 -2.948 -9.875 1.00 11.33 H new ATOM 0 HZ1 LYS A 8 6.072 -4.589 -8.695 1.00 50.22 H new ATOM 0 HZ2 LYS A 8 7.670 -5.137 -8.866 1.00 50.22 H new ATOM 0 HZ3 LYS A 8 7.133 -4.540 -7.370 1.00 50.22 H new ATOM 127 N GLN A 9 8.811 2.001 -11.283 1.00 54.41 N ATOM 128 CA GLN A 9 8.573 2.576 -12.602 1.00 73.42 C ATOM 129 C GLN A 9 9.766 3.410 -13.056 1.00 10.12 C ATOM 130 O GLN A 9 10.368 3.137 -14.094 1.00 61.32 O ATOM 131 CB GLN A 9 7.309 3.437 -12.586 1.00 41.41 C ATOM 132 CG GLN A 9 6.282 3.031 -13.630 1.00 60.25 C ATOM 133 CD GLN A 9 6.348 3.889 -14.879 1.00 32.34 C ATOM 134 OE1 GLN A 9 7.257 3.747 -15.696 1.00 63.55 O ATOM 135 NE2 GLN A 9 5.381 4.786 -15.032 1.00 42.20 N ATOM 0 H GLN A 9 8.171 2.328 -10.559 1.00 54.41 H new ATOM 0 HA GLN A 9 8.437 1.757 -13.308 1.00 73.42 H new ATOM 0 HB2 GLN A 9 6.853 3.379 -11.598 1.00 41.41 H new ATOM 0 HB3 GLN A 9 7.587 4.478 -12.748 1.00 41.41 H new ATOM 0 HG2 GLN A 9 6.439 1.987 -13.902 1.00 60.25 H new ATOM 0 HG3 GLN A 9 5.284 3.101 -13.198 1.00 60.25 H new ATOM 0 HE21 GLN A 9 4.647 4.869 -14.329 1.00 42.20 H new ATOM 0 HE22 GLN A 9 5.372 5.392 -15.853 1.00 42.20 H new ATOM 144 N ARG A 10 10.102 4.429 -12.271 1.00 71.30 N ATOM 145 CA ARG A 10 11.222 5.304 -12.593 1.00 43.22 C ATOM 146 C ARG A 10 12.499 4.497 -12.809 1.00 72.51 C ATOM 147 O ARG A 10 13.234 4.722 -13.771 1.00 52.25 O ATOM 148 CB ARG A 10 11.436 6.327 -11.476 1.00 31.34 C ATOM 149 CG ARG A 10 10.239 7.234 -11.244 1.00 1.53 C ATOM 150 CD ARG A 10 9.863 7.295 -9.772 1.00 0.35 C ATOM 151 NE ARG A 10 10.468 8.442 -9.099 1.00 31.10 N ATOM 152 CZ ARG A 10 10.032 9.689 -9.237 1.00 12.01 C ATOM 153 NH1 ARG A 10 8.993 9.949 -10.019 1.00 32.25 N ATOM 154 NH2 ARG A 10 10.635 10.679 -8.592 1.00 10.32 N ATOM 0 H ARG A 10 9.614 4.668 -11.408 1.00 71.30 H new ATOM 0 HA ARG A 10 10.984 5.830 -13.518 1.00 43.22 H new ATOM 0 HB2 ARG A 10 11.666 5.799 -10.551 1.00 31.34 H new ATOM 0 HB3 ARG A 10 12.304 6.940 -11.718 1.00 31.34 H new ATOM 0 HG2 ARG A 10 10.466 8.237 -11.604 1.00 1.53 H new ATOM 0 HG3 ARG A 10 9.389 6.872 -11.823 1.00 1.53 H new ATOM 0 HD2 ARG A 10 8.779 7.350 -9.677 1.00 0.35 H new ATOM 0 HD3 ARG A 10 10.180 6.376 -9.279 1.00 0.35 H new ATOM 0 HE ARG A 10 11.269 8.276 -8.490 1.00 31.10 H new ATOM 0 HH11 ARG A 10 8.527 9.190 -10.516 1.00 32.25 H new ATOM 0 HH12 ARG A 10 8.660 10.908 -10.123 1.00 32.25 H new ATOM 0 HH21 ARG A 10 11.434 10.483 -7.989 1.00 10.32 H new ATOM 0 HH22 ARG A 10 10.299 11.636 -8.699 1.00 10.32 H new ATOM 168 N LEU A 11 12.757 3.555 -11.908 1.00 13.43 N ATOM 169 CA LEU A 11 13.945 2.714 -11.999 1.00 32.22 C ATOM 170 C LEU A 11 13.933 1.892 -13.284 1.00 32.03 C ATOM 171 O LEU A 11 14.968 1.705 -13.922 1.00 50.34 O ATOM 172 CB LEU A 11 14.030 1.785 -10.786 1.00 71.14 C ATOM 173 CG LEU A 11 14.544 2.416 -9.492 1.00 71.00 C ATOM 174 CD1 LEU A 11 14.164 1.560 -8.294 1.00 4.25 C ATOM 175 CD2 LEU A 11 16.052 2.610 -9.555 1.00 70.33 C ATOM 0 H LEU A 11 12.159 3.355 -11.106 1.00 13.43 H new ATOM 0 HA LEU A 11 14.820 3.364 -12.014 1.00 32.22 H new ATOM 0 HB2 LEU A 11 13.038 1.375 -10.597 1.00 71.14 H new ATOM 0 HB3 LEU A 11 14.678 0.947 -11.040 1.00 71.14 H new ATOM 0 HG LEU A 11 14.077 3.394 -9.377 1.00 71.00 H new ATOM 0 HD11 LEU A 11 14.538 2.024 -7.382 1.00 4.25 H new ATOM 0 HD12 LEU A 11 13.079 1.473 -8.238 1.00 4.25 H new ATOM 0 HD13 LEU A 11 14.602 0.568 -8.402 1.00 4.25 H new ATOM 0 HD21 LEU A 11 16.400 3.060 -8.625 1.00 70.33 H new ATOM 0 HD22 LEU A 11 16.538 1.644 -9.695 1.00 70.33 H new ATOM 0 HD23 LEU A 11 16.300 3.265 -10.390 1.00 70.33 H new ATOM 187 N ALA A 12 12.754 1.405 -13.658 1.00 21.05 N ATOM 188 CA ALA A 12 12.607 0.607 -14.868 1.00 54.03 C ATOM 189 C ALA A 12 12.993 1.410 -16.106 1.00 3.14 C ATOM 190 O ALA A 12 13.736 0.930 -16.961 1.00 42.33 O ATOM 191 CB ALA A 12 11.179 0.096 -14.993 1.00 53.52 C ATOM 0 H ALA A 12 11.887 1.550 -13.140 1.00 21.05 H new ATOM 0 HA ALA A 12 13.282 -0.246 -14.795 1.00 54.03 H new ATOM 0 HB1 ALA A 12 11.084 -0.499 -15.902 1.00 53.52 H new ATOM 0 HB2 ALA A 12 10.936 -0.521 -14.128 1.00 53.52 H new ATOM 0 HB3 ALA A 12 10.493 0.942 -15.039 1.00 53.52 H new ATOM 197 N ALA A 13 12.484 2.634 -16.194 1.00 1.53 N ATOM 198 CA ALA A 13 12.778 3.504 -17.326 1.00 14.31 C ATOM 199 C ALA A 13 14.268 3.817 -17.406 1.00 70.00 C ATOM 200 O ALA A 13 14.862 3.783 -18.484 1.00 74.43 O ATOM 201 CB ALA A 13 11.971 4.791 -17.226 1.00 61.42 C ATOM 0 H ALA A 13 11.866 3.046 -15.495 1.00 1.53 H new ATOM 0 HA ALA A 13 12.494 2.980 -18.239 1.00 14.31 H new ATOM 0 HB1 ALA A 13 12.200 5.431 -18.078 1.00 61.42 H new ATOM 0 HB2 ALA A 13 10.907 4.554 -17.226 1.00 61.42 H new ATOM 0 HB3 ALA A 13 12.227 5.310 -16.302 1.00 61.42 H new ATOM 207 N ILE A 14 14.866 4.122 -16.260 1.00 1.34 N ATOM 208 CA ILE A 14 16.287 4.441 -16.201 1.00 63.41 C ATOM 209 C ILE A 14 17.137 3.239 -16.601 1.00 32.24 C ATOM 210 O ILE A 14 18.158 3.382 -17.273 1.00 51.03 O ATOM 211 CB ILE A 14 16.703 4.903 -14.792 1.00 42.43 C ATOM 212 CG1 ILE A 14 15.895 6.134 -14.377 1.00 1.51 C ATOM 213 CG2 ILE A 14 18.194 5.203 -14.752 1.00 1.31 C ATOM 214 CD1 ILE A 14 15.860 6.358 -12.881 1.00 60.22 C ATOM 0 H ILE A 14 14.389 4.155 -15.359 1.00 1.34 H new ATOM 0 HA ILE A 14 16.457 5.255 -16.906 1.00 63.41 H new ATOM 0 HB ILE A 14 16.495 4.100 -14.085 1.00 42.43 H new ATOM 0 HG12 ILE A 14 16.318 7.016 -14.858 1.00 1.51 H new ATOM 0 HG13 ILE A 14 14.874 6.029 -14.745 1.00 1.51 H new ATOM 0 HG21 ILE A 14 18.473 5.528 -13.750 1.00 1.31 H new ATOM 0 HG22 ILE A 14 18.753 4.304 -15.010 1.00 1.31 H new ATOM 0 HG23 ILE A 14 18.426 5.992 -15.467 1.00 1.31 H new ATOM 0 HD11 ILE A 14 15.270 7.247 -12.660 1.00 60.22 H new ATOM 0 HD12 ILE A 14 15.409 5.493 -12.394 1.00 60.22 H new ATOM 0 HD13 ILE A 14 16.876 6.495 -12.510 1.00 60.22 H new ATOM 226 N LYS A 15 16.707 2.053 -16.183 1.00 62.22 N ATOM 227 CA LYS A 15 17.425 0.824 -16.499 1.00 63.22 C ATOM 228 C LYS A 15 17.425 0.565 -18.002 1.00 62.34 C ATOM 229 O LYS A 15 18.457 0.230 -18.586 1.00 33.43 O ATOM 230 CB LYS A 15 16.795 -0.363 -15.766 1.00 53.54 C ATOM 231 CG LYS A 15 17.786 -1.163 -14.939 1.00 73.25 C ATOM 232 CD LYS A 15 17.570 -2.658 -15.104 1.00 35.23 C ATOM 233 CE LYS A 15 18.133 -3.161 -16.424 1.00 24.22 C ATOM 234 NZ LYS A 15 18.129 -4.649 -16.498 1.00 4.52 N ATOM 0 H LYS A 15 15.864 1.917 -15.624 1.00 62.22 H new ATOM 0 HA LYS A 15 18.457 0.941 -16.168 1.00 63.22 H new ATOM 0 HB2 LYS A 15 16.002 0.003 -15.114 1.00 53.54 H new ATOM 0 HB3 LYS A 15 16.327 -1.023 -16.496 1.00 53.54 H new ATOM 0 HG2 LYS A 15 18.802 -0.906 -15.238 1.00 73.25 H new ATOM 0 HG3 LYS A 15 17.685 -0.894 -13.888 1.00 73.25 H new ATOM 0 HD2 LYS A 15 18.045 -3.188 -14.279 1.00 35.23 H new ATOM 0 HD3 LYS A 15 16.504 -2.880 -15.054 1.00 35.23 H new ATOM 0 HE2 LYS A 15 17.546 -2.755 -17.248 1.00 24.22 H new ATOM 0 HE3 LYS A 15 19.152 -2.794 -16.548 1.00 24.22 H new ATOM 0 HZ1 LYS A 15 18.551 -4.953 -17.398 1.00 4.52 H new ATOM 0 HZ2 LYS A 15 18.682 -5.037 -15.708 1.00 4.52 H new ATOM 0 HZ3 LYS A 15 17.151 -4.997 -16.440 1.00 4.52 H new ATOM 248 N THR A 16 16.262 0.723 -18.626 1.00 14.33 N ATOM 249 CA THR A 16 16.128 0.507 -20.061 1.00 35.13 C ATOM 250 C THR A 16 17.012 1.468 -20.847 1.00 23.24 C ATOM 251 O THR A 16 17.825 1.046 -21.670 1.00 31.03 O ATOM 252 CB THR A 16 14.668 0.679 -20.521 1.00 35.53 C ATOM 253 OG1 THR A 16 13.779 0.108 -19.554 1.00 31.41 O ATOM 254 CG2 THR A 16 14.445 0.019 -21.873 1.00 62.42 C ATOM 0 H THR A 16 15.398 1.000 -18.159 1.00 14.33 H new ATOM 0 HA THR A 16 16.445 -0.517 -20.257 1.00 35.13 H new ATOM 0 HB THR A 16 14.464 1.745 -20.617 1.00 35.53 H new ATOM 0 HG1 THR A 16 13.805 0.640 -18.731 1.00 31.41 H new ATOM 0 HG21 THR A 16 13.407 0.154 -22.177 1.00 62.42 H new ATOM 0 HG22 THR A 16 15.102 0.475 -22.613 1.00 62.42 H new ATOM 0 HG23 THR A 16 14.666 -1.046 -21.799 1.00 62.42 H new ATOM 262 N ARG A 17 16.850 2.761 -20.587 1.00 53.12 N ATOM 263 CA ARG A 17 17.634 3.782 -21.271 1.00 61.04 C ATOM 264 C ARG A 17 19.121 3.617 -20.971 1.00 61.15 C ATOM 265 O ARG A 17 19.972 3.958 -21.794 1.00 71.11 O ATOM 266 CB ARG A 17 17.170 5.178 -20.852 1.00 2.11 C ATOM 267 CG ARG A 17 15.672 5.391 -20.995 1.00 60.34 C ATOM 268 CD ARG A 17 15.201 6.593 -20.192 1.00 74.13 C ATOM 269 NE ARG A 17 15.542 7.855 -20.844 1.00 72.50 N ATOM 270 CZ ARG A 17 15.012 9.024 -20.504 1.00 51.21 C ATOM 271 NH1 ARG A 17 14.121 9.093 -19.524 1.00 62.53 N ATOM 272 NH2 ARG A 17 15.373 10.129 -21.144 1.00 62.24 N ATOM 0 H ARG A 17 16.183 3.126 -19.908 1.00 53.12 H new ATOM 0 HA ARG A 17 17.482 3.663 -22.344 1.00 61.04 H new ATOM 0 HB2 ARG A 17 17.455 5.350 -19.814 1.00 2.11 H new ATOM 0 HB3 ARG A 17 17.693 5.921 -21.454 1.00 2.11 H new ATOM 0 HG2 ARG A 17 15.423 5.534 -22.046 1.00 60.34 H new ATOM 0 HG3 ARG A 17 15.143 4.499 -20.660 1.00 60.34 H new ATOM 0 HD2 ARG A 17 14.121 6.536 -20.054 1.00 74.13 H new ATOM 0 HD3 ARG A 17 15.651 6.565 -19.200 1.00 74.13 H new ATOM 0 HE ARG A 17 16.225 7.837 -21.602 1.00 72.50 H new ATOM 0 HH11 ARG A 17 13.841 8.246 -19.029 1.00 62.53 H new ATOM 0 HH12 ARG A 17 13.716 9.993 -19.265 1.00 62.53 H new ATOM 0 HH21 ARG A 17 16.058 10.081 -21.898 1.00 62.24 H new ATOM 0 HH22 ARG A 17 14.965 11.026 -20.882 1.00 62.24 H new ATOM 286 N CYS A 18 19.426 3.093 -19.790 1.00 2.14 N ATOM 287 CA CYS A 18 20.811 2.884 -19.380 1.00 55.03 C ATOM 288 C CYS A 18 21.422 1.697 -20.118 1.00 3.51 C ATOM 289 O CYS A 18 22.570 1.753 -20.557 1.00 44.44 O ATOM 290 CB CYS A 18 20.889 2.657 -17.870 1.00 32.40 C ATOM 291 SG CYS A 18 22.396 1.819 -17.327 1.00 5.33 S ATOM 0 H CYS A 18 18.734 2.805 -19.099 1.00 2.14 H new ATOM 0 HA CYS A 18 21.379 3.779 -19.635 1.00 55.03 H new ATOM 0 HB2 CYS A 18 20.819 3.620 -17.364 1.00 32.40 H new ATOM 0 HB3 CYS A 18 20.026 2.069 -17.557 1.00 32.40 H new ATOM 0 HG CYS A 18 23.160 2.663 -16.700 1.00 5.33 H new ATOM 297 N GLN A 19 20.648 0.625 -20.248 1.00 10.10 N ATOM 298 CA GLN A 19 21.115 -0.576 -20.930 1.00 43.23 C ATOM 299 C GLN A 19 21.410 -0.288 -22.399 1.00 10.23 C ATOM 300 O GLN A 19 22.402 -0.765 -22.948 1.00 24.22 O ATOM 301 CB GLN A 19 20.074 -1.691 -20.816 1.00 3.31 C ATOM 302 CG GLN A 19 19.843 -2.163 -19.390 1.00 12.14 C ATOM 303 CD GLN A 19 20.260 -3.605 -19.177 1.00 41.22 C ATOM 304 OE1 GLN A 19 19.503 -4.531 -19.468 1.00 21.51 O ATOM 305 NE2 GLN A 19 21.470 -3.802 -18.668 1.00 24.31 N ATOM 0 H GLN A 19 19.695 0.563 -19.890 1.00 10.10 H new ATOM 0 HA GLN A 19 22.038 -0.900 -20.449 1.00 43.23 H new ATOM 0 HB2 GLN A 19 19.130 -1.339 -21.231 1.00 3.31 H new ATOM 0 HB3 GLN A 19 20.393 -2.538 -21.423 1.00 3.31 H new ATOM 0 HG2 GLN A 19 20.399 -1.523 -18.705 1.00 12.14 H new ATOM 0 HG3 GLN A 19 18.787 -2.054 -19.142 1.00 12.14 H new ATOM 0 HE21 GLN A 19 22.064 -3.004 -18.442 1.00 24.31 H new ATOM 0 HE22 GLN A 19 21.806 -4.751 -18.503 1.00 24.31 H new ATOM 314 N ALA A 20 20.541 0.496 -23.029 1.00 31.31 N ATOM 315 CA ALA A 20 20.709 0.848 -24.433 1.00 40.51 C ATOM 316 C ALA A 20 21.546 2.114 -24.585 1.00 1.03 C ATOM 317 O ALA A 20 21.997 2.445 -25.682 1.00 55.04 O ATOM 318 CB ALA A 20 19.352 1.028 -25.098 1.00 64.13 C ATOM 0 H ALA A 20 19.714 0.899 -22.589 1.00 31.31 H new ATOM 0 HA ALA A 20 21.238 0.032 -24.926 1.00 40.51 H new ATOM 0 HB1 ALA A 20 19.493 1.291 -26.146 1.00 64.13 H new ATOM 0 HB2 ALA A 20 18.787 0.098 -25.029 1.00 64.13 H new ATOM 0 HB3 ALA A 20 18.803 1.824 -24.595 1.00 64.13 H new ATOM 324 N LEU A 21 21.751 2.819 -23.477 1.00 74.43 N ATOM 325 CA LEU A 21 22.534 4.049 -23.487 1.00 52.31 C ATOM 326 C LEU A 21 21.857 5.118 -24.339 1.00 2.50 C ATOM 327 O LEU A 21 22.458 6.142 -24.661 1.00 44.24 O ATOM 328 CB LEU A 21 23.943 3.776 -24.016 1.00 10.12 C ATOM 329 CG LEU A 21 24.690 2.611 -23.365 1.00 52.12 C ATOM 330 CD1 LEU A 21 25.865 2.181 -24.229 1.00 51.25 C ATOM 331 CD2 LEU A 21 25.163 2.993 -21.970 1.00 51.33 C ATOM 0 H LEU A 21 21.386 2.559 -22.561 1.00 74.43 H new ATOM 0 HA LEU A 21 22.602 4.416 -22.463 1.00 52.31 H new ATOM 0 HB2 LEU A 21 23.877 3.586 -25.087 1.00 10.12 H new ATOM 0 HB3 LEU A 21 24.539 4.680 -23.889 1.00 10.12 H new ATOM 0 HG LEU A 21 24.004 1.769 -23.276 1.00 52.12 H new ATOM 0 HD11 LEU A 21 26.385 1.351 -23.750 1.00 51.25 H new ATOM 0 HD12 LEU A 21 25.501 1.865 -25.207 1.00 51.25 H new ATOM 0 HD13 LEU A 21 26.553 3.018 -24.351 1.00 51.25 H new ATOM 0 HD21 LEU A 21 25.692 2.152 -21.522 1.00 51.33 H new ATOM 0 HD22 LEU A 21 25.833 3.850 -22.035 1.00 51.33 H new ATOM 0 HD23 LEU A 21 24.303 3.251 -21.352 1.00 51.33 H new ATOM 343 N GLY A 22 20.601 4.874 -24.699 1.00 33.11 N ATOM 344 CA GLY A 22 19.862 5.826 -25.508 1.00 62.42 C ATOM 345 C GLY A 22 20.664 6.323 -26.695 1.00 31.23 C ATOM 346 O GLY A 22 20.458 7.439 -27.168 1.00 54.41 O ATOM 0 H GLY A 22 20.082 4.034 -24.445 1.00 33.11 H new ATOM 0 HA2 GLY A 22 18.943 5.360 -25.864 1.00 62.42 H new ATOM 0 HA3 GLY A 22 19.570 6.675 -24.889 1.00 62.42 H new ATOM 393 N GLU A 27 23.815 10.701 -22.456 1.00 43.50 N ATOM 394 CA GLU A 27 22.747 10.093 -21.671 1.00 44.41 C ATOM 395 C GLU A 27 23.319 9.264 -20.525 1.00 1.22 C ATOM 396 O GLU A 27 22.808 9.299 -19.405 1.00 23.24 O ATOM 397 CB GLU A 27 21.867 9.214 -22.562 1.00 10.14 C ATOM 398 CG GLU A 27 20.742 9.973 -23.245 1.00 44.34 C ATOM 399 CD GLU A 27 19.725 10.520 -22.262 1.00 64.14 C ATOM 400 OE1 GLU A 27 19.004 9.709 -21.644 1.00 52.42 O ATOM 401 OE2 GLU A 27 19.651 11.757 -22.111 1.00 51.13 O ATOM 0 HA GLU A 27 22.139 10.893 -21.249 1.00 44.41 H new ATOM 0 HB2 GLU A 27 22.490 8.743 -23.322 1.00 10.14 H new ATOM 0 HB3 GLU A 27 21.440 8.413 -21.959 1.00 10.14 H new ATOM 0 HG2 GLU A 27 21.163 10.796 -23.822 1.00 44.34 H new ATOM 0 HG3 GLU A 27 20.240 9.312 -23.951 1.00 44.34 H new ATOM 408 N CYS A 28 24.381 8.520 -20.813 1.00 73.23 N ATOM 409 CA CYS A 28 25.022 7.680 -19.808 1.00 11.03 C ATOM 410 C CYS A 28 25.306 8.474 -18.537 1.00 43.41 C ATOM 411 O CYS A 28 24.986 8.034 -17.433 1.00 51.34 O ATOM 412 CB CYS A 28 26.322 7.092 -20.358 1.00 2.21 C ATOM 413 SG CYS A 28 26.137 6.247 -21.946 1.00 13.53 S ATOM 0 H CYS A 28 24.816 8.481 -21.735 1.00 73.23 H new ATOM 0 HA CYS A 28 24.340 6.866 -19.562 1.00 11.03 H new ATOM 0 HB2 CYS A 28 27.053 7.893 -20.468 1.00 2.21 H new ATOM 0 HB3 CYS A 28 26.727 6.389 -19.630 1.00 2.21 H new ATOM 0 HG CYS A 28 27.291 5.786 -22.329 1.00 13.53 H new ATOM 419 N ALA A 29 25.911 9.646 -18.701 1.00 43.21 N ATOM 420 CA ALA A 29 26.239 10.502 -17.568 1.00 13.15 C ATOM 421 C ALA A 29 25.004 10.785 -16.719 1.00 12.41 C ATOM 422 O ALA A 29 25.036 10.654 -15.496 1.00 21.42 O ATOM 423 CB ALA A 29 26.859 11.804 -18.051 1.00 41.44 C ATOM 0 H ALA A 29 26.184 10.024 -19.608 1.00 43.21 H new ATOM 0 HA ALA A 29 26.964 9.977 -16.946 1.00 13.15 H new ATOM 0 HB1 ALA A 29 27.099 12.433 -17.194 1.00 41.44 H new ATOM 0 HB2 ALA A 29 27.770 11.588 -18.609 1.00 41.44 H new ATOM 0 HB3 ALA A 29 26.153 12.325 -18.697 1.00 41.44 H new ATOM 429 N ALA A 30 23.917 11.176 -17.376 1.00 53.01 N ATOM 430 CA ALA A 30 22.671 11.477 -16.682 1.00 30.35 C ATOM 431 C ALA A 30 22.234 10.307 -15.806 1.00 64.00 C ATOM 432 O ALA A 30 21.797 10.497 -14.671 1.00 50.41 O ATOM 433 CB ALA A 30 21.580 11.825 -17.683 1.00 15.34 C ATOM 0 H ALA A 30 23.874 11.292 -18.389 1.00 53.01 H new ATOM 0 HA ALA A 30 22.843 12.337 -16.035 1.00 30.35 H new ATOM 0 HB1 ALA A 30 20.655 12.047 -17.151 1.00 15.34 H new ATOM 0 HB2 ALA A 30 21.883 12.696 -18.263 1.00 15.34 H new ATOM 0 HB3 ALA A 30 21.419 10.981 -18.353 1.00 15.34 H new ATOM 439 N PHE A 31 22.355 9.096 -16.341 1.00 3.43 N ATOM 440 CA PHE A 31 21.971 7.895 -15.608 1.00 44.32 C ATOM 441 C PHE A 31 22.823 7.728 -14.353 1.00 63.13 C ATOM 442 O PHE A 31 22.305 7.450 -13.272 1.00 44.42 O ATOM 443 CB PHE A 31 22.111 6.661 -16.501 1.00 60.05 C ATOM 444 CG PHE A 31 21.313 6.747 -17.771 1.00 62.52 C ATOM 445 CD1 PHE A 31 20.057 7.332 -17.778 1.00 4.13 C ATOM 446 CD2 PHE A 31 21.819 6.242 -18.958 1.00 61.02 C ATOM 447 CE1 PHE A 31 19.321 7.411 -18.945 1.00 0.35 C ATOM 448 CE2 PHE A 31 21.087 6.319 -20.128 1.00 64.34 C ATOM 449 CZ PHE A 31 19.837 6.905 -20.122 1.00 1.25 C ATOM 0 H PHE A 31 22.716 8.921 -17.279 1.00 3.43 H new ATOM 0 HA PHE A 31 20.929 8.001 -15.307 1.00 44.32 H new ATOM 0 HB2 PHE A 31 23.163 6.520 -16.751 1.00 60.05 H new ATOM 0 HB3 PHE A 31 21.796 5.780 -15.942 1.00 60.05 H new ATOM 0 HD1 PHE A 31 19.649 7.731 -16.861 1.00 4.13 H new ATOM 0 HD2 PHE A 31 22.797 5.783 -18.969 1.00 61.02 H new ATOM 0 HE1 PHE A 31 18.343 7.868 -18.937 1.00 0.35 H new ATOM 0 HE2 PHE A 31 21.493 5.921 -21.046 1.00 64.34 H new ATOM 0 HZ PHE A 31 19.264 6.968 -21.035 1.00 1.25 H new ATOM 459 N GLU A 32 24.133 7.898 -14.507 1.00 53.31 N ATOM 460 CA GLU A 32 25.057 7.765 -13.387 1.00 35.41 C ATOM 461 C GLU A 32 24.670 8.704 -12.248 1.00 21.21 C ATOM 462 O GLU A 32 24.629 8.304 -11.084 1.00 61.43 O ATOM 463 CB GLU A 32 26.488 8.057 -13.840 1.00 44.11 C ATOM 464 CG GLU A 32 27.504 7.043 -13.341 1.00 71.34 C ATOM 465 CD GLU A 32 28.786 7.054 -14.152 1.00 34.44 C ATOM 466 OE1 GLU A 32 29.667 7.888 -13.858 1.00 31.23 O ATOM 467 OE2 GLU A 32 28.907 6.227 -15.080 1.00 32.10 O ATOM 0 H GLU A 32 24.577 8.128 -15.396 1.00 53.31 H new ATOM 0 HA GLU A 32 25.002 6.739 -13.023 1.00 35.41 H new ATOM 0 HB2 GLU A 32 26.517 8.082 -14.929 1.00 44.11 H new ATOM 0 HB3 GLU A 32 26.775 9.049 -13.491 1.00 44.11 H new ATOM 0 HG2 GLU A 32 27.737 7.252 -12.297 1.00 71.34 H new ATOM 0 HG3 GLU A 32 27.065 6.046 -13.377 1.00 71.34 H new ATOM 474 N LYS A 33 24.388 9.956 -12.592 1.00 33.15 N ATOM 475 CA LYS A 33 24.004 10.954 -11.600 1.00 73.22 C ATOM 476 C LYS A 33 22.651 10.614 -10.982 1.00 4.02 C ATOM 477 O LYS A 33 22.539 10.445 -9.768 1.00 64.42 O ATOM 478 CB LYS A 33 23.949 12.343 -12.240 1.00 5.15 C ATOM 479 CG LYS A 33 25.283 13.069 -12.230 1.00 44.51 C ATOM 480 CD LYS A 33 26.065 12.816 -13.508 1.00 41.53 C ATOM 481 CE LYS A 33 27.391 13.562 -13.507 1.00 61.54 C ATOM 482 NZ LYS A 33 27.235 14.972 -13.960 1.00 23.33 N ATOM 0 H LYS A 33 24.418 10.304 -13.550 1.00 33.15 H new ATOM 0 HA LYS A 33 24.755 10.953 -10.810 1.00 73.22 H new ATOM 0 HB2 LYS A 33 23.605 12.246 -13.270 1.00 5.15 H new ATOM 0 HB3 LYS A 33 23.211 12.948 -11.713 1.00 5.15 H new ATOM 0 HG2 LYS A 33 25.115 14.139 -12.111 1.00 44.51 H new ATOM 0 HG3 LYS A 33 25.870 12.741 -11.372 1.00 44.51 H new ATOM 0 HD2 LYS A 33 26.248 11.747 -13.618 1.00 41.53 H new ATOM 0 HD3 LYS A 33 25.471 13.128 -14.367 1.00 41.53 H new ATOM 0 HE2 LYS A 33 27.815 13.548 -12.503 1.00 61.54 H new ATOM 0 HE3 LYS A 33 28.098 13.047 -14.158 1.00 61.54 H new ATOM 0 HZ1 LYS A 33 28.161 15.446 -13.945 1.00 23.33 H new ATOM 0 HZ2 LYS A 33 26.855 14.986 -14.928 1.00 23.33 H new ATOM 0 HZ3 LYS A 33 26.581 15.471 -13.324 1.00 23.33 H new ATOM 496 N GLU A 34 21.628 10.515 -11.825 1.00 22.13 N ATOM 497 CA GLU A 34 20.284 10.194 -11.359 1.00 40.51 C ATOM 498 C GLU A 34 20.297 8.953 -10.472 1.00 70.34 C ATOM 499 O GLU A 34 19.706 8.942 -9.392 1.00 40.51 O ATOM 500 CB GLU A 34 19.347 9.975 -12.549 1.00 10.43 C ATOM 501 CG GLU A 34 18.057 10.774 -12.463 1.00 44.40 C ATOM 502 CD GLU A 34 16.883 10.057 -13.101 1.00 3.44 C ATOM 503 OE1 GLU A 34 17.082 9.408 -14.148 1.00 71.05 O ATOM 504 OE2 GLU A 34 15.765 10.146 -12.551 1.00 24.22 O ATOM 0 H GLU A 34 21.704 10.652 -12.833 1.00 22.13 H new ATOM 0 HA GLU A 34 19.921 11.036 -10.770 1.00 40.51 H new ATOM 0 HB2 GLU A 34 19.870 10.243 -13.467 1.00 10.43 H new ATOM 0 HB3 GLU A 34 19.104 8.915 -12.619 1.00 10.43 H new ATOM 0 HG2 GLU A 34 17.829 10.977 -11.417 1.00 44.40 H new ATOM 0 HG3 GLU A 34 18.198 11.738 -12.951 1.00 44.40 H new ATOM 511 N ILE A 35 20.974 7.908 -10.937 1.00 41.22 N ATOM 512 CA ILE A 35 21.065 6.662 -10.187 1.00 35.22 C ATOM 513 C ILE A 35 21.759 6.876 -8.846 1.00 44.35 C ATOM 514 O ILE A 35 21.323 6.357 -7.820 1.00 0.35 O ATOM 515 CB ILE A 35 21.824 5.582 -10.979 1.00 63.51 C ATOM 516 CG1 ILE A 35 20.994 5.119 -12.178 1.00 32.31 C ATOM 517 CG2 ILE A 35 22.165 4.404 -10.077 1.00 54.44 C ATOM 518 CD1 ILE A 35 19.767 4.323 -11.792 1.00 32.32 C ATOM 0 H ILE A 35 21.467 7.900 -11.830 1.00 41.22 H new ATOM 0 HA ILE A 35 20.044 6.323 -10.014 1.00 35.22 H new ATOM 0 HB ILE A 35 22.755 6.012 -11.350 1.00 63.51 H new ATOM 0 HG12 ILE A 35 20.685 5.991 -12.754 1.00 32.31 H new ATOM 0 HG13 ILE A 35 21.621 4.511 -12.831 1.00 32.31 H new ATOM 0 HG21 ILE A 35 22.701 3.649 -10.652 1.00 54.44 H new ATOM 0 HG22 ILE A 35 22.792 4.746 -9.253 1.00 54.44 H new ATOM 0 HG23 ILE A 35 21.246 3.972 -9.679 1.00 54.44 H new ATOM 0 HD11 ILE A 35 19.227 4.028 -12.692 1.00 32.32 H new ATOM 0 HD12 ILE A 35 20.070 3.432 -11.242 1.00 32.32 H new ATOM 0 HD13 ILE A 35 19.119 4.935 -11.164 1.00 32.32 H new ATOM 530 N ALA A 36 22.843 7.646 -8.864 1.00 54.12 N ATOM 531 CA ALA A 36 23.596 7.933 -7.650 1.00 31.12 C ATOM 532 C ALA A 36 22.695 8.526 -6.572 1.00 32.10 C ATOM 533 O ALA A 36 22.720 8.092 -5.421 1.00 33.52 O ATOM 534 CB ALA A 36 24.749 8.877 -7.955 1.00 1.52 C ATOM 0 H ALA A 36 23.219 8.082 -9.706 1.00 54.12 H new ATOM 0 HA ALA A 36 24.000 6.994 -7.272 1.00 31.12 H new ATOM 0 HB1 ALA A 36 25.303 9.083 -7.039 1.00 1.52 H new ATOM 0 HB2 ALA A 36 25.414 8.415 -8.685 1.00 1.52 H new ATOM 0 HB3 ALA A 36 24.358 9.810 -8.360 1.00 1.52 H new ATOM 540 N ALA A 37 21.900 9.521 -6.953 1.00 24.11 N ATOM 541 CA ALA A 37 20.991 10.172 -6.019 1.00 15.32 C ATOM 542 C ALA A 37 19.912 9.207 -5.540 1.00 15.10 C ATOM 543 O ALA A 37 19.540 9.209 -4.366 1.00 74.43 O ATOM 544 CB ALA A 37 20.358 11.396 -6.665 1.00 72.10 C ATOM 0 H ALA A 37 21.868 9.893 -7.902 1.00 24.11 H new ATOM 0 HA ALA A 37 21.568 10.490 -5.151 1.00 15.32 H new ATOM 0 HB1 ALA A 37 19.681 11.873 -5.956 1.00 72.10 H new ATOM 0 HB2 ALA A 37 21.139 12.101 -6.952 1.00 72.10 H new ATOM 0 HB3 ALA A 37 19.800 11.092 -7.551 1.00 72.10 H new ATOM 550 N PHE A 38 19.412 8.384 -6.456 1.00 32.12 N ATOM 551 CA PHE A 38 18.374 7.414 -6.127 1.00 14.11 C ATOM 552 C PHE A 38 18.824 6.500 -4.991 1.00 74.44 C ATOM 553 O PHE A 38 18.161 6.404 -3.959 1.00 23.12 O ATOM 554 CB PHE A 38 18.017 6.579 -7.359 1.00 4.24 C ATOM 555 CG PHE A 38 16.617 6.807 -7.853 1.00 23.23 C ATOM 556 CD1 PHE A 38 15.545 6.772 -6.976 1.00 30.11 C ATOM 557 CD2 PHE A 38 16.374 7.056 -9.194 1.00 13.24 C ATOM 558 CE1 PHE A 38 14.256 6.980 -7.428 1.00 53.32 C ATOM 559 CE2 PHE A 38 15.086 7.266 -9.652 1.00 25.23 C ATOM 560 CZ PHE A 38 14.026 7.229 -8.767 1.00 63.34 C ATOM 0 H PHE A 38 19.709 8.369 -7.432 1.00 32.12 H new ATOM 0 HA PHE A 38 17.490 7.962 -5.800 1.00 14.11 H new ATOM 0 HB2 PHE A 38 18.719 6.810 -8.160 1.00 4.24 H new ATOM 0 HB3 PHE A 38 18.142 5.523 -7.121 1.00 4.24 H new ATOM 0 HD1 PHE A 38 15.719 6.580 -5.928 1.00 30.11 H new ATOM 0 HD2 PHE A 38 17.200 7.086 -9.890 1.00 13.24 H new ATOM 0 HE1 PHE A 38 13.429 6.948 -6.735 1.00 53.32 H new ATOM 0 HE2 PHE A 38 14.909 7.459 -10.700 1.00 25.23 H new ATOM 0 HZ PHE A 38 13.019 7.394 -9.121 1.00 63.34 H new ATOM 570 N GLU A 39 19.954 5.829 -5.192 1.00 1.30 N ATOM 571 CA GLU A 39 20.492 4.921 -4.186 1.00 12.44 C ATOM 572 C GLU A 39 20.800 5.666 -2.890 1.00 14.12 C ATOM 573 O GLU A 39 20.550 5.160 -1.796 1.00 35.01 O ATOM 574 CB GLU A 39 21.758 4.238 -4.707 1.00 52.42 C ATOM 575 CG GLU A 39 22.845 5.212 -5.129 1.00 51.35 C ATOM 576 CD GLU A 39 24.067 4.514 -5.692 1.00 65.22 C ATOM 577 OE1 GLU A 39 23.963 3.930 -6.791 1.00 71.13 O ATOM 578 OE2 GLU A 39 25.128 4.551 -5.034 1.00 60.32 O ATOM 0 H GLU A 39 20.514 5.897 -6.042 1.00 1.30 H new ATOM 0 HA GLU A 39 19.738 4.162 -3.979 1.00 12.44 H new ATOM 0 HB2 GLU A 39 22.152 3.581 -3.931 1.00 52.42 H new ATOM 0 HB3 GLU A 39 21.497 3.607 -5.557 1.00 52.42 H new ATOM 0 HG2 GLU A 39 22.444 5.896 -5.878 1.00 51.35 H new ATOM 0 HG3 GLU A 39 23.139 5.816 -4.271 1.00 51.35 H new ATOM 585 N SER A 40 21.345 6.871 -3.022 1.00 15.31 N ATOM 586 CA SER A 40 21.691 7.685 -1.862 1.00 61.24 C ATOM 587 C SER A 40 20.446 8.039 -1.055 1.00 73.33 C ATOM 588 O SER A 40 20.504 8.177 0.166 1.00 72.20 O ATOM 589 CB SER A 40 22.406 8.963 -2.305 1.00 21.10 C ATOM 590 OG SER A 40 22.396 9.936 -1.274 1.00 64.45 O ATOM 0 H SER A 40 21.557 7.305 -3.920 1.00 15.31 H new ATOM 0 HA SER A 40 22.360 7.104 -1.228 1.00 61.24 H new ATOM 0 HB2 SER A 40 23.435 8.731 -2.581 1.00 21.10 H new ATOM 0 HB3 SER A 40 21.921 9.366 -3.194 1.00 21.10 H new ATOM 0 HG SER A 40 22.860 10.743 -1.581 1.00 64.45 H new ATOM 596 N GLU A 41 19.321 8.184 -1.748 1.00 75.13 N ATOM 597 CA GLU A 41 18.061 8.523 -1.096 1.00 70.43 C ATOM 598 C GLU A 41 17.421 7.285 -0.473 1.00 0.40 C ATOM 599 O GLU A 41 16.748 7.372 0.555 1.00 73.31 O ATOM 600 CB GLU A 41 17.097 9.158 -2.100 1.00 15.43 C ATOM 601 CG GLU A 41 17.022 10.673 -1.996 1.00 75.54 C ATOM 602 CD GLU A 41 16.661 11.145 -0.601 1.00 64.12 C ATOM 603 OE1 GLU A 41 15.615 10.708 -0.078 1.00 3.11 O ATOM 604 OE2 GLU A 41 17.427 11.952 -0.033 1.00 32.22 O ATOM 0 H GLU A 41 19.256 8.072 -2.760 1.00 75.13 H new ATOM 0 HA GLU A 41 18.273 9.240 -0.303 1.00 70.43 H new ATOM 0 HB2 GLU A 41 17.406 8.886 -3.109 1.00 15.43 H new ATOM 0 HB3 GLU A 41 16.101 8.742 -1.948 1.00 15.43 H new ATOM 0 HG2 GLU A 41 17.982 11.101 -2.283 1.00 75.54 H new ATOM 0 HG3 GLU A 41 16.282 11.046 -2.704 1.00 75.54 H new ATOM 611 N LEU A 42 17.635 6.135 -1.102 1.00 44.31 N ATOM 612 CA LEU A 42 17.080 4.879 -0.611 1.00 12.23 C ATOM 613 C LEU A 42 17.803 4.421 0.652 1.00 62.45 C ATOM 614 O LEU A 42 17.198 3.828 1.544 1.00 72.52 O ATOM 615 CB LEU A 42 17.178 3.799 -1.689 1.00 75.22 C ATOM 616 CG LEU A 42 16.263 3.977 -2.902 1.00 23.50 C ATOM 617 CD1 LEU A 42 16.965 3.518 -4.171 1.00 32.20 C ATOM 618 CD2 LEU A 42 14.961 3.214 -2.705 1.00 23.03 C ATOM 0 H LEU A 42 18.189 6.046 -1.954 1.00 44.31 H new ATOM 0 HA LEU A 42 16.031 5.045 -0.367 1.00 12.23 H new ATOM 0 HB2 LEU A 42 18.209 3.756 -2.040 1.00 75.22 H new ATOM 0 HB3 LEU A 42 16.957 2.835 -1.231 1.00 75.22 H new ATOM 0 HG LEU A 42 16.028 5.036 -3.004 1.00 23.50 H new ATOM 0 HD11 LEU A 42 16.299 3.652 -5.024 1.00 32.20 H new ATOM 0 HD12 LEU A 42 17.869 4.108 -4.320 1.00 32.20 H new ATOM 0 HD13 LEU A 42 17.230 2.465 -4.079 1.00 32.20 H new ATOM 0 HD21 LEU A 42 14.323 3.352 -3.578 1.00 23.03 H new ATOM 0 HD22 LEU A 42 15.177 2.153 -2.577 1.00 23.03 H new ATOM 0 HD23 LEU A 42 14.450 3.589 -1.819 1.00 23.03 H new ATOM 630 N GLN A 43 19.100 4.702 0.719 1.00 65.40 N ATOM 631 CA GLN A 43 19.905 4.319 1.873 1.00 24.00 C ATOM 632 C GLN A 43 19.506 5.123 3.106 1.00 32.41 C ATOM 633 O GLN A 43 19.802 4.734 4.235 1.00 23.43 O ATOM 634 CB GLN A 43 21.392 4.524 1.575 1.00 13.54 C ATOM 635 CG GLN A 43 21.829 5.979 1.635 1.00 13.33 C ATOM 636 CD GLN A 43 22.768 6.259 2.792 1.00 14.40 C ATOM 637 OE1 GLN A 43 23.847 5.674 2.886 1.00 11.24 O ATOM 638 NE2 GLN A 43 22.361 7.159 3.680 1.00 21.34 N ATOM 0 H GLN A 43 19.616 5.193 -0.011 1.00 65.40 H new ATOM 0 HA GLN A 43 19.724 3.263 2.076 1.00 24.00 H new ATOM 0 HB2 GLN A 43 21.980 3.947 2.289 1.00 13.54 H new ATOM 0 HB3 GLN A 43 21.614 4.127 0.584 1.00 13.54 H new ATOM 0 HG2 GLN A 43 22.321 6.245 0.700 1.00 13.33 H new ATOM 0 HG3 GLN A 43 20.949 6.615 1.724 1.00 13.33 H new ATOM 0 HE21 GLN A 43 21.459 7.620 3.562 1.00 21.34 H new ATOM 0 HE22 GLN A 43 22.951 7.390 4.480 1.00 21.34 H new ATOM 647 N ALA A 44 18.831 6.246 2.881 1.00 25.44 N ATOM 648 CA ALA A 44 18.390 7.103 3.974 1.00 12.12 C ATOM 649 C ALA A 44 17.149 6.532 4.653 1.00 43.31 C ATOM 650 O ALA A 44 16.842 6.873 5.795 1.00 4.55 O ATOM 651 CB ALA A 44 18.114 8.510 3.463 1.00 24.53 C ATOM 0 H ALA A 44 18.578 6.583 1.952 1.00 25.44 H new ATOM 0 HA ALA A 44 19.189 7.147 4.714 1.00 12.12 H new ATOM 0 HB1 ALA A 44 17.785 9.139 4.290 1.00 24.53 H new ATOM 0 HB2 ALA A 44 19.024 8.925 3.030 1.00 24.53 H new ATOM 0 HB3 ALA A 44 17.334 8.474 2.702 1.00 24.53 H new ATOM 764 N GLU A 52 10.810 -3.201 0.351 1.00 21.54 N ATOM 765 CA GLU A 52 10.735 -2.486 -0.917 1.00 71.41 C ATOM 766 C GLU A 52 12.094 -1.906 -1.296 1.00 4.22 C ATOM 767 O GLU A 52 12.423 -1.783 -2.476 1.00 32.40 O ATOM 768 CB GLU A 52 9.695 -1.367 -0.836 1.00 73.12 C ATOM 769 CG GLU A 52 9.910 -0.420 0.332 1.00 51.51 C ATOM 770 CD GLU A 52 9.150 0.883 0.174 1.00 11.11 C ATOM 771 OE1 GLU A 52 9.461 1.642 -0.767 1.00 44.21 O ATOM 772 OE2 GLU A 52 8.243 1.143 0.992 1.00 32.15 O ATOM 0 HA GLU A 52 10.435 -3.196 -1.688 1.00 71.41 H new ATOM 0 HB2 GLU A 52 9.715 -0.796 -1.764 1.00 73.12 H new ATOM 0 HB3 GLU A 52 8.702 -1.810 -0.756 1.00 73.12 H new ATOM 0 HG2 GLU A 52 9.597 -0.909 1.254 1.00 51.51 H new ATOM 0 HG3 GLU A 52 10.974 -0.206 0.430 1.00 51.51 H new ATOM 779 N VAL A 53 12.881 -1.549 -0.286 1.00 22.15 N ATOM 780 CA VAL A 53 14.205 -0.982 -0.511 1.00 42.21 C ATOM 781 C VAL A 53 15.193 -2.053 -0.959 1.00 70.13 C ATOM 782 O VAL A 53 16.235 -1.747 -1.537 1.00 41.24 O ATOM 783 CB VAL A 53 14.747 -0.299 0.759 1.00 51.44 C ATOM 784 CG1 VAL A 53 16.035 0.451 0.454 1.00 71.02 C ATOM 785 CG2 VAL A 53 13.702 0.638 1.346 1.00 32.44 C ATOM 0 H VAL A 53 12.624 -1.643 0.697 1.00 22.15 H new ATOM 0 HA VAL A 53 14.099 -0.236 -1.299 1.00 42.21 H new ATOM 0 HB VAL A 53 14.969 -1.069 1.498 1.00 51.44 H new ATOM 0 HG11 VAL A 53 16.403 0.927 1.363 1.00 71.02 H new ATOM 0 HG12 VAL A 53 16.784 -0.248 0.082 1.00 71.02 H new ATOM 0 HG13 VAL A 53 15.842 1.212 -0.302 1.00 71.02 H new ATOM 0 HG21 VAL A 53 14.101 1.112 2.243 1.00 32.44 H new ATOM 0 HG22 VAL A 53 13.447 1.404 0.613 1.00 32.44 H new ATOM 0 HG23 VAL A 53 12.808 0.070 1.603 1.00 32.44 H new ATOM 795 N GLU A 54 14.857 -3.311 -0.689 1.00 1.53 N ATOM 796 CA GLU A 54 15.716 -4.428 -1.064 1.00 53.44 C ATOM 797 C GLU A 54 15.961 -4.443 -2.570 1.00 41.34 C ATOM 798 O GLU A 54 17.104 -4.407 -3.024 1.00 64.11 O ATOM 799 CB GLU A 54 15.088 -5.752 -0.626 1.00 20.35 C ATOM 800 CG GLU A 54 14.811 -5.830 0.866 1.00 3.15 C ATOM 801 CD GLU A 54 13.890 -6.978 1.230 1.00 61.20 C ATOM 802 OE1 GLU A 54 13.202 -7.496 0.326 1.00 34.22 O ATOM 803 OE2 GLU A 54 13.858 -7.359 2.419 1.00 3.21 O ATOM 0 H GLU A 54 13.997 -3.582 -0.212 1.00 1.53 H new ATOM 0 HA GLU A 54 16.673 -4.303 -0.558 1.00 53.44 H new ATOM 0 HB2 GLU A 54 14.154 -5.899 -1.169 1.00 20.35 H new ATOM 0 HB3 GLU A 54 15.752 -6.570 -0.907 1.00 20.35 H new ATOM 0 HG2 GLU A 54 15.754 -5.942 1.401 1.00 3.15 H new ATOM 0 HG3 GLU A 54 14.365 -4.892 1.198 1.00 3.15 H new ATOM 810 N ALA A 55 14.879 -4.496 -3.340 1.00 33.42 N ATOM 811 CA ALA A 55 14.975 -4.515 -4.794 1.00 44.11 C ATOM 812 C ALA A 55 15.508 -3.189 -5.326 1.00 10.43 C ATOM 813 O ALA A 55 16.319 -3.160 -6.252 1.00 61.13 O ATOM 814 CB ALA A 55 13.619 -4.826 -5.409 1.00 51.22 C ATOM 0 H ALA A 55 13.925 -4.527 -2.980 1.00 33.42 H new ATOM 0 HA ALA A 55 15.678 -5.299 -5.077 1.00 44.11 H new ATOM 0 HB1 ALA A 55 13.706 -4.837 -6.495 1.00 51.22 H new ATOM 0 HB2 ALA A 55 13.277 -5.801 -5.063 1.00 51.22 H new ATOM 0 HB3 ALA A 55 12.900 -4.063 -5.110 1.00 51.22 H new ATOM 820 N LEU A 56 15.047 -2.092 -4.735 1.00 11.22 N ATOM 821 CA LEU A 56 15.477 -0.761 -5.150 1.00 12.13 C ATOM 822 C LEU A 56 16.987 -0.606 -5.003 1.00 61.21 C ATOM 823 O LEU A 56 17.667 -0.156 -5.925 1.00 42.41 O ATOM 824 CB LEU A 56 14.760 0.309 -4.323 1.00 65.42 C ATOM 825 CG LEU A 56 13.419 0.795 -4.873 1.00 41.11 C ATOM 826 CD1 LEU A 56 12.700 -0.331 -5.600 1.00 44.33 C ATOM 827 CD2 LEU A 56 12.552 1.347 -3.751 1.00 53.34 C ATOM 0 H LEU A 56 14.376 -2.098 -3.967 1.00 11.22 H new ATOM 0 HA LEU A 56 15.218 -0.634 -6.201 1.00 12.13 H new ATOM 0 HB2 LEU A 56 14.597 -0.084 -3.320 1.00 65.42 H new ATOM 0 HB3 LEU A 56 15.423 1.169 -4.225 1.00 65.42 H new ATOM 0 HG LEU A 56 13.610 1.597 -5.587 1.00 41.11 H new ATOM 0 HD11 LEU A 56 11.748 0.034 -5.984 1.00 44.33 H new ATOM 0 HD12 LEU A 56 13.316 -0.681 -6.429 1.00 44.33 H new ATOM 0 HD13 LEU A 56 12.521 -1.154 -4.909 1.00 44.33 H new ATOM 0 HD21 LEU A 56 11.601 1.688 -4.160 1.00 53.34 H new ATOM 0 HD22 LEU A 56 12.370 0.565 -3.014 1.00 53.34 H new ATOM 0 HD23 LEU A 56 13.063 2.183 -3.274 1.00 53.34 H new ATOM 839 N ARG A 57 17.505 -0.985 -3.839 1.00 44.43 N ATOM 840 CA ARG A 57 18.935 -0.889 -3.572 1.00 45.25 C ATOM 841 C ARG A 57 19.724 -1.815 -4.494 1.00 33.22 C ATOM 842 O ARG A 57 20.768 -1.438 -5.027 1.00 15.03 O ATOM 843 CB ARG A 57 19.228 -1.236 -2.111 1.00 53.45 C ATOM 844 CG ARG A 57 20.478 -0.566 -1.565 1.00 62.50 C ATOM 845 CD ARG A 57 20.209 0.113 -0.231 1.00 61.14 C ATOM 846 NE ARG A 57 21.266 -0.151 0.741 1.00 64.53 N ATOM 847 CZ ARG A 57 21.113 -0.004 2.052 1.00 52.11 C ATOM 848 NH1 ARG A 57 19.951 0.403 2.545 1.00 44.40 N ATOM 849 NH2 ARG A 57 22.122 -0.264 2.873 1.00 62.42 N ATOM 0 H ARG A 57 16.956 -1.361 -3.066 1.00 44.43 H new ATOM 0 HA ARG A 57 19.246 0.138 -3.764 1.00 45.25 H new ATOM 0 HB2 ARG A 57 18.374 -0.946 -1.499 1.00 53.45 H new ATOM 0 HB3 ARG A 57 19.335 -2.317 -2.017 1.00 53.45 H new ATOM 0 HG2 ARG A 57 21.267 -1.309 -1.444 1.00 62.50 H new ATOM 0 HG3 ARG A 57 20.841 0.170 -2.283 1.00 62.50 H new ATOM 0 HD2 ARG A 57 20.117 1.188 -0.384 1.00 61.14 H new ATOM 0 HD3 ARG A 57 19.256 -0.235 0.167 1.00 61.14 H new ATOM 0 HE ARG A 57 22.172 -0.466 0.394 1.00 64.53 H new ATOM 0 HH11 ARG A 57 19.173 0.604 1.917 1.00 44.40 H new ATOM 0 HH12 ARG A 57 19.836 0.515 3.552 1.00 44.40 H new ATOM 0 HH21 ARG A 57 23.017 -0.577 2.498 1.00 62.42 H new ATOM 0 HH22 ARG A 57 22.003 -0.151 3.880 1.00 62.42 H new ATOM 863 N LYS A 58 19.217 -3.030 -4.677 1.00 4.03 N ATOM 864 CA LYS A 58 19.872 -4.011 -5.534 1.00 21.33 C ATOM 865 C LYS A 58 19.917 -3.527 -6.979 1.00 71.35 C ATOM 866 O LYS A 58 20.991 -3.389 -7.564 1.00 30.42 O ATOM 867 CB LYS A 58 19.142 -5.354 -5.457 1.00 20.04 C ATOM 868 CG LYS A 58 20.075 -6.548 -5.352 1.00 34.31 C ATOM 869 CD LYS A 58 19.843 -7.326 -4.067 1.00 1.30 C ATOM 870 CE LYS A 58 21.116 -8.011 -3.593 1.00 75.23 C ATOM 871 NZ LYS A 58 21.389 -9.261 -4.355 1.00 34.31 N ATOM 0 H LYS A 58 18.354 -3.359 -4.243 1.00 4.03 H new ATOM 0 HA LYS A 58 20.895 -4.140 -5.181 1.00 21.33 H new ATOM 0 HB2 LYS A 58 18.476 -5.347 -4.594 1.00 20.04 H new ATOM 0 HB3 LYS A 58 18.516 -5.469 -6.342 1.00 20.04 H new ATOM 0 HG2 LYS A 58 19.924 -7.205 -6.208 1.00 34.31 H new ATOM 0 HG3 LYS A 58 21.110 -6.207 -5.390 1.00 34.31 H new ATOM 0 HD2 LYS A 58 19.482 -6.651 -3.292 1.00 1.30 H new ATOM 0 HD3 LYS A 58 19.065 -8.072 -4.228 1.00 1.30 H new ATOM 0 HE2 LYS A 58 21.958 -7.328 -3.702 1.00 75.23 H new ATOM 0 HE3 LYS A 58 21.030 -8.244 -2.532 1.00 75.23 H new ATOM 0 HZ1 LYS A 58 22.264 -9.698 -4.003 1.00 34.31 H new ATOM 0 HZ2 LYS A 58 20.597 -9.923 -4.231 1.00 34.31 H new ATOM 0 HZ3 LYS A 58 21.497 -9.036 -5.365 1.00 34.31 H new ATOM 885 N GLU A 59 18.744 -3.270 -7.549 1.00 53.14 N ATOM 886 CA GLU A 59 18.651 -2.800 -8.927 1.00 31.52 C ATOM 887 C GLU A 59 19.469 -1.528 -9.124 1.00 42.41 C ATOM 888 O GLU A 59 20.265 -1.427 -10.057 1.00 64.40 O ATOM 889 CB GLU A 59 17.190 -2.545 -9.305 1.00 4.44 C ATOM 890 CG GLU A 59 16.994 -1.320 -10.183 1.00 24.41 C ATOM 891 CD GLU A 59 15.654 -1.319 -10.891 1.00 73.33 C ATOM 892 OE1 GLU A 59 14.619 -1.443 -10.204 1.00 33.01 O ATOM 893 OE2 GLU A 59 15.640 -1.194 -12.134 1.00 21.21 O ATOM 0 H GLU A 59 17.845 -3.379 -7.079 1.00 53.14 H new ATOM 0 HA GLU A 59 19.056 -3.576 -9.577 1.00 31.52 H new ATOM 0 HB2 GLU A 59 16.800 -3.420 -9.824 1.00 4.44 H new ATOM 0 HB3 GLU A 59 16.603 -2.427 -8.394 1.00 4.44 H new ATOM 0 HG2 GLU A 59 17.078 -0.422 -9.571 1.00 24.41 H new ATOM 0 HG3 GLU A 59 17.792 -1.277 -10.924 1.00 24.41 H new ATOM 900 N ALA A 60 19.266 -0.557 -8.239 1.00 20.52 N ATOM 901 CA ALA A 60 19.985 0.708 -8.314 1.00 41.20 C ATOM 902 C ALA A 60 21.489 0.480 -8.426 1.00 74.40 C ATOM 903 O ALA A 60 22.135 0.980 -9.345 1.00 43.54 O ATOM 904 CB ALA A 60 19.669 1.568 -7.099 1.00 21.30 C ATOM 0 H ALA A 60 18.609 -0.623 -7.462 1.00 20.52 H new ATOM 0 HA ALA A 60 19.656 1.231 -9.212 1.00 41.20 H new ATOM 0 HB1 ALA A 60 20.213 2.510 -7.169 1.00 21.30 H new ATOM 0 HB2 ALA A 60 18.598 1.769 -7.064 1.00 21.30 H new ATOM 0 HB3 ALA A 60 19.969 1.042 -6.193 1.00 21.30 H new ATOM 910 N ALA A 61 22.039 -0.279 -7.484 1.00 31.40 N ATOM 911 CA ALA A 61 23.466 -0.575 -7.478 1.00 62.12 C ATOM 912 C ALA A 61 23.909 -1.169 -8.811 1.00 21.21 C ATOM 913 O ALA A 61 24.938 -0.781 -9.363 1.00 2.02 O ATOM 914 CB ALA A 61 23.804 -1.523 -6.337 1.00 61.11 C ATOM 0 H ALA A 61 21.518 -0.700 -6.715 1.00 31.40 H new ATOM 0 HA ALA A 61 24.005 0.361 -7.330 1.00 62.12 H new ATOM 0 HB1 ALA A 61 24.873 -1.735 -6.345 1.00 61.11 H new ATOM 0 HB2 ALA A 61 23.533 -1.061 -5.388 1.00 61.11 H new ATOM 0 HB3 ALA A 61 23.249 -2.453 -6.460 1.00 61.11 H new ATOM 920 N ALA A 62 23.126 -2.113 -9.322 1.00 72.22 N ATOM 921 CA ALA A 62 23.437 -2.760 -10.591 1.00 1.20 C ATOM 922 C ALA A 62 23.539 -1.737 -11.718 1.00 31.43 C ATOM 923 O ALA A 62 24.484 -1.762 -12.507 1.00 0.43 O ATOM 924 CB ALA A 62 22.385 -3.809 -10.921 1.00 3.42 C ATOM 0 H ALA A 62 22.271 -2.447 -8.877 1.00 72.22 H new ATOM 0 HA ALA A 62 24.405 -3.251 -10.492 1.00 1.20 H new ATOM 0 HB1 ALA A 62 22.630 -4.284 -11.871 1.00 3.42 H new ATOM 0 HB2 ALA A 62 22.363 -4.563 -10.134 1.00 3.42 H new ATOM 0 HB3 ALA A 62 21.407 -3.333 -10.995 1.00 3.42 H new ATOM 930 N ILE A 63 22.560 -0.841 -11.787 1.00 64.24 N ATOM 931 CA ILE A 63 22.541 0.190 -12.818 1.00 21.52 C ATOM 932 C ILE A 63 23.785 1.068 -12.740 1.00 1.00 C ATOM 933 O ILE A 63 24.406 1.373 -13.758 1.00 5.40 O ATOM 934 CB ILE A 63 21.290 1.080 -12.701 1.00 33.45 C ATOM 935 CG1 ILE A 63 20.022 0.226 -12.769 1.00 32.12 C ATOM 936 CG2 ILE A 63 21.285 2.134 -13.797 1.00 72.34 C ATOM 937 CD1 ILE A 63 18.804 0.905 -12.182 1.00 21.54 C ATOM 0 H ILE A 63 21.770 -0.808 -11.142 1.00 64.24 H new ATOM 0 HA ILE A 63 22.522 -0.325 -13.779 1.00 21.52 H new ATOM 0 HB ILE A 63 21.312 1.588 -11.737 1.00 33.45 H new ATOM 0 HG12 ILE A 63 19.820 -0.028 -13.810 1.00 32.12 H new ATOM 0 HG13 ILE A 63 20.196 -0.711 -12.240 1.00 32.12 H new ATOM 0 HG21 ILE A 63 20.394 2.755 -13.701 1.00 72.34 H new ATOM 0 HG22 ILE A 63 22.174 2.758 -13.706 1.00 72.34 H new ATOM 0 HG23 ILE A 63 21.283 1.646 -14.771 1.00 72.34 H new ATOM 0 HD11 ILE A 63 17.943 0.242 -12.264 1.00 21.54 H new ATOM 0 HD12 ILE A 63 18.986 1.135 -11.132 1.00 21.54 H new ATOM 0 HD13 ILE A 63 18.604 1.828 -12.726 1.00 21.54 H new ATOM 949 N ARG A 64 24.144 1.470 -11.525 1.00 70.21 N ATOM 950 CA ARG A 64 25.315 2.313 -11.314 1.00 35.21 C ATOM 951 C ARG A 64 26.573 1.640 -11.854 1.00 3.41 C ATOM 952 O ARG A 64 27.359 2.258 -12.574 1.00 32.54 O ATOM 953 CB ARG A 64 25.486 2.620 -9.825 1.00 43.11 C ATOM 954 CG ARG A 64 26.407 3.797 -9.548 1.00 41.35 C ATOM 955 CD ARG A 64 27.817 3.335 -9.215 1.00 41.34 C ATOM 956 NE ARG A 64 28.311 3.934 -7.978 1.00 63.23 N ATOM 957 CZ ARG A 64 27.953 3.521 -6.768 1.00 20.33 C ATOM 958 NH1 ARG A 64 27.103 2.513 -6.632 1.00 73.54 N ATOM 959 NH2 ARG A 64 28.446 4.116 -5.689 1.00 40.23 N ATOM 0 H ARG A 64 23.641 1.226 -10.672 1.00 70.21 H new ATOM 0 HA ARG A 64 25.163 3.247 -11.855 1.00 35.21 H new ATOM 0 HB2 ARG A 64 24.508 2.825 -9.390 1.00 43.11 H new ATOM 0 HB3 ARG A 64 25.879 1.736 -9.323 1.00 43.11 H new ATOM 0 HG2 ARG A 64 26.434 4.452 -10.419 1.00 41.35 H new ATOM 0 HG3 ARG A 64 26.010 4.384 -8.720 1.00 41.35 H new ATOM 0 HD2 ARG A 64 27.830 2.249 -9.123 1.00 41.34 H new ATOM 0 HD3 ARG A 64 28.486 3.593 -10.036 1.00 41.34 H new ATOM 0 HE ARG A 64 28.967 4.712 -8.047 1.00 63.23 H new ATOM 0 HH11 ARG A 64 26.722 2.052 -7.458 1.00 73.54 H new ATOM 0 HH12 ARG A 64 26.830 2.198 -5.701 1.00 73.54 H new ATOM 0 HH21 ARG A 64 29.101 4.892 -5.789 1.00 40.23 H new ATOM 0 HH22 ARG A 64 28.170 3.798 -4.760 1.00 40.23 H new ATOM 973 N ASP A 65 26.758 0.373 -11.501 1.00 44.12 N ATOM 974 CA ASP A 65 27.921 -0.384 -11.951 1.00 2.44 C ATOM 975 C ASP A 65 27.987 -0.425 -13.474 1.00 41.21 C ATOM 976 O ASP A 65 29.049 -0.231 -14.064 1.00 5.32 O ATOM 977 CB ASP A 65 27.878 -1.806 -11.391 1.00 31.41 C ATOM 978 CG ASP A 65 27.662 -1.832 -9.890 1.00 45.15 C ATOM 979 OD1 ASP A 65 27.840 -0.776 -9.247 1.00 63.21 O ATOM 980 OD2 ASP A 65 27.315 -2.907 -9.360 1.00 22.43 O ATOM 0 H ASP A 65 26.118 -0.152 -10.905 1.00 44.12 H new ATOM 0 HA ASP A 65 28.815 0.117 -11.581 1.00 2.44 H new ATOM 0 HB2 ASP A 65 27.078 -2.362 -11.880 1.00 31.41 H new ATOM 0 HB3 ASP A 65 28.812 -2.316 -11.630 1.00 31.41 H new ATOM 985 N GLU A 66 26.845 -0.680 -14.104 1.00 53.02 N ATOM 986 CA GLU A 66 26.774 -0.749 -15.559 1.00 43.51 C ATOM 987 C GLU A 66 27.215 0.570 -16.188 1.00 11.32 C ATOM 988 O GLU A 66 28.006 0.587 -17.131 1.00 62.55 O ATOM 989 CB GLU A 66 25.352 -1.090 -16.008 1.00 12.15 C ATOM 990 CG GLU A 66 24.779 -2.323 -15.330 1.00 24.43 C ATOM 991 CD GLU A 66 24.561 -3.472 -16.296 1.00 0.42 C ATOM 992 OE1 GLU A 66 25.454 -3.723 -17.131 1.00 43.33 O ATOM 993 OE2 GLU A 66 23.496 -4.119 -16.215 1.00 61.25 O ATOM 0 H GLU A 66 25.956 -0.842 -13.630 1.00 53.02 H new ATOM 0 HA GLU A 66 27.450 -1.536 -15.893 1.00 43.51 H new ATOM 0 HB2 GLU A 66 24.702 -0.239 -15.805 1.00 12.15 H new ATOM 0 HB3 GLU A 66 25.348 -1.244 -17.087 1.00 12.15 H new ATOM 0 HG2 GLU A 66 25.454 -2.643 -14.537 1.00 24.43 H new ATOM 0 HG3 GLU A 66 23.831 -2.066 -14.857 1.00 24.43 H new ATOM 1000 N CYS A 67 26.697 1.673 -15.659 1.00 13.12 N ATOM 1001 CA CYS A 67 27.035 2.997 -16.168 1.00 51.34 C ATOM 1002 C CYS A 67 28.541 3.233 -16.113 1.00 13.13 C ATOM 1003 O CYS A 67 29.135 3.737 -17.066 1.00 33.24 O ATOM 1004 CB CYS A 67 26.307 4.077 -15.365 1.00 64.43 C ATOM 1005 SG CYS A 67 24.515 4.089 -15.600 1.00 34.44 S ATOM 0 H CYS A 67 26.041 1.676 -14.878 1.00 13.12 H new ATOM 0 HA CYS A 67 26.715 3.051 -17.209 1.00 51.34 H new ATOM 0 HB2 CYS A 67 26.523 3.935 -14.306 1.00 64.43 H new ATOM 0 HB3 CYS A 67 26.706 5.052 -15.643 1.00 64.43 H new ATOM 0 HG CYS A 67 23.989 3.076 -14.977 1.00 34.44 H new ATOM 1011 N GLN A 68 29.151 2.867 -14.990 1.00 73.11 N ATOM 1012 CA GLN A 68 30.587 3.041 -14.810 1.00 1.11 C ATOM 1013 C GLN A 68 31.368 2.109 -15.731 1.00 2.53 C ATOM 1014 O GLN A 68 32.490 2.416 -16.133 1.00 60.12 O ATOM 1015 CB GLN A 68 30.975 2.781 -13.353 1.00 60.13 C ATOM 1016 CG GLN A 68 30.039 3.434 -12.349 1.00 23.54 C ATOM 1017 CD GLN A 68 30.776 4.275 -11.326 1.00 25.04 C ATOM 1018 OE1 GLN A 68 31.882 3.934 -10.904 1.00 61.54 O ATOM 1019 NE2 GLN A 68 30.167 5.383 -10.920 1.00 31.32 N ATOM 0 H GLN A 68 28.673 2.448 -14.192 1.00 73.11 H new ATOM 0 HA GLN A 68 30.838 4.070 -15.067 1.00 1.11 H new ATOM 0 HB2 GLN A 68 30.991 1.706 -13.176 1.00 60.13 H new ATOM 0 HB3 GLN A 68 31.988 3.147 -13.184 1.00 60.13 H new ATOM 0 HG2 GLN A 68 29.322 4.060 -12.880 1.00 23.54 H new ATOM 0 HG3 GLN A 68 29.468 2.661 -11.835 1.00 23.54 H new ATOM 0 HE21 GLN A 68 29.251 5.628 -11.295 1.00 31.32 H new ATOM 0 HE22 GLN A 68 30.615 5.989 -10.233 1.00 31.32 H new ATOM 1028 N ALA A 69 30.767 0.971 -16.060 1.00 25.40 N ATOM 1029 CA ALA A 69 31.406 -0.005 -16.935 1.00 2.14 C ATOM 1030 C ALA A 69 31.237 0.379 -18.401 1.00 22.42 C ATOM 1031 O ALA A 69 31.812 -0.252 -19.288 1.00 23.52 O ATOM 1032 CB ALA A 69 30.837 -1.393 -16.681 1.00 63.12 C ATOM 0 H ALA A 69 29.839 0.702 -15.734 1.00 25.40 H new ATOM 0 HA ALA A 69 32.473 -0.015 -16.710 1.00 2.14 H new ATOM 0 HB1 ALA A 69 31.323 -2.112 -17.341 1.00 63.12 H new ATOM 0 HB2 ALA A 69 31.015 -1.675 -15.643 1.00 63.12 H new ATOM 0 HB3 ALA A 69 29.765 -1.388 -16.877 1.00 63.12 H new ATOM 1038 N TYR A 70 30.445 1.416 -18.648 1.00 71.45 N ATOM 1039 CA TYR A 70 30.198 1.881 -20.008 1.00 12.00 C ATOM 1040 C TYR A 70 31.065 3.092 -20.335 1.00 45.52 C ATOM 1041 O TYR A 70 31.564 3.229 -21.452 1.00 44.14 O ATOM 1042 CB TYR A 70 28.720 2.234 -20.188 1.00 4.31 C ATOM 1043 CG TYR A 70 27.787 1.064 -19.972 1.00 44.30 C ATOM 1044 CD1 TYR A 70 28.186 -0.232 -20.273 1.00 64.31 C ATOM 1045 CD2 TYR A 70 26.507 1.255 -19.468 1.00 52.11 C ATOM 1046 CE1 TYR A 70 27.337 -1.304 -20.078 1.00 62.43 C ATOM 1047 CE2 TYR A 70 25.652 0.189 -19.269 1.00 35.23 C ATOM 1048 CZ TYR A 70 26.071 -1.089 -19.575 1.00 41.24 C ATOM 1049 OH TYR A 70 25.222 -2.153 -19.379 1.00 75.45 O ATOM 0 H TYR A 70 29.963 1.950 -17.925 1.00 71.45 H new ATOM 0 HA TYR A 70 30.458 1.075 -20.694 1.00 12.00 H new ATOM 0 HB2 TYR A 70 28.458 3.030 -19.491 1.00 4.31 H new ATOM 0 HB3 TYR A 70 28.569 2.627 -21.193 1.00 4.31 H new ATOM 0 HD1 TYR A 70 29.177 -0.404 -20.666 1.00 64.31 H new ATOM 0 HD2 TYR A 70 26.175 2.254 -19.228 1.00 52.11 H new ATOM 0 HE1 TYR A 70 27.663 -2.305 -20.318 1.00 62.43 H new ATOM 0 HE2 TYR A 70 24.660 0.355 -18.876 1.00 35.23 H new ATOM 0 HH TYR A 70 25.523 -2.674 -18.605 1.00 75.45 H new ATOM 1059 N ARG A 71 31.241 3.969 -19.352 1.00 1.11 N ATOM 1060 CA ARG A 71 32.048 5.170 -19.534 1.00 33.21 C ATOM 1061 C ARG A 71 32.956 5.402 -18.330 1.00 40.31 C ATOM 1062 O ARG A 71 33.078 6.525 -17.839 1.00 22.12 O ATOM 1063 CB ARG A 71 31.147 6.387 -19.749 1.00 51.42 C ATOM 1064 CG ARG A 71 31.718 7.402 -20.726 1.00 11.41 C ATOM 1065 CD ARG A 71 30.855 8.653 -20.798 1.00 24.25 C ATOM 1066 NE ARG A 71 31.603 9.855 -20.437 1.00 71.35 N ATOM 1067 CZ ARG A 71 31.035 11.036 -20.220 1.00 61.24 C ATOM 1068 NH1 ARG A 71 29.721 11.173 -20.326 1.00 35.52 N ATOM 1069 NH2 ARG A 71 31.783 12.083 -19.896 1.00 54.25 N ATOM 0 H ARG A 71 30.836 3.870 -18.421 1.00 1.11 H new ATOM 0 HA ARG A 71 32.672 5.028 -20.416 1.00 33.21 H new ATOM 0 HB2 ARG A 71 30.177 6.050 -20.114 1.00 51.42 H new ATOM 0 HB3 ARG A 71 30.975 6.875 -18.790 1.00 51.42 H new ATOM 0 HG2 ARG A 71 32.729 7.673 -20.421 1.00 11.41 H new ATOM 0 HG3 ARG A 71 31.793 6.953 -21.716 1.00 11.41 H new ATOM 0 HD2 ARG A 71 30.458 8.762 -21.807 1.00 24.25 H new ATOM 0 HD3 ARG A 71 30.001 8.543 -20.130 1.00 24.25 H new ATOM 0 HE ARG A 71 32.616 9.783 -20.347 1.00 71.35 H new ATOM 0 HH11 ARG A 71 29.143 10.370 -20.575 1.00 35.52 H new ATOM 0 HH12 ARG A 71 29.288 12.081 -20.159 1.00 35.52 H new ATOM 0 HH21 ARG A 71 32.795 11.981 -19.814 1.00 54.25 H new ATOM 0 HH22 ARG A 71 31.346 12.990 -19.729 1.00 54.25 H new