USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 626 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 9 TYR OH : rot -151:sc= 1.02 USER MOD Set 1.2: A 57 MET CE :methyl 173:sc= -0.157 (180deg=-0.322) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.104) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.146 USER MOD Single : A 39 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.082) USER MOD Single : A 50 CYS SG : rot -178:sc= -0.124 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.51 K(o=-2.5,f=-6.5!) USER MOD Single : A 64 THR OG1 : rot 150:sc= -0.964 USER MOD Single : A 66 GLN : amide:sc= -0.0357 K(o=-0.036,f=-0.61) USER MOD Single : A 73 THR OG1 : rot 63:sc= 0.394 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.837 4.663 24.682 1.00 72.23 N ATOM 2 CA MET A 1 -4.658 3.929 24.143 1.00 4.54 C ATOM 3 C MET A 1 -5.078 2.670 23.369 1.00 0.34 C ATOM 4 O MET A 1 -5.360 1.629 23.964 1.00 3.41 O ATOM 5 CB MET A 1 -3.706 3.533 25.282 1.00 54.22 C ATOM 6 CG MET A 1 -3.093 4.712 26.023 1.00 33.34 C ATOM 7 SD MET A 1 -1.982 4.187 27.346 1.00 22.50 S ATOM 8 CE MET A 1 -1.450 5.774 27.986 1.00 34.41 C ATOM 0 H1 MET A 1 -5.530 5.580 25.064 1.00 72.23 H new ATOM 0 H2 MET A 1 -6.527 4.819 23.920 1.00 72.23 H new ATOM 0 H3 MET A 1 -6.278 4.103 25.439 1.00 72.23 H new ATOM 0 HA MET A 1 -4.146 4.601 23.454 1.00 4.54 H new ATOM 0 HB2 MET A 1 -4.249 2.913 25.995 1.00 54.22 H new ATOM 0 HB3 MET A 1 -2.904 2.919 24.873 1.00 54.22 H new ATOM 0 HG2 MET A 1 -2.545 5.336 25.318 1.00 33.34 H new ATOM 0 HG3 MET A 1 -3.888 5.328 26.443 1.00 33.34 H new ATOM 0 HE1 MET A 1 -0.756 5.619 28.812 1.00 34.41 H new ATOM 0 HE2 MET A 1 -0.953 6.337 27.196 1.00 34.41 H new ATOM 0 HE3 MET A 1 -2.317 6.333 28.339 1.00 34.41 H new ATOM 20 N ALA A 2 -5.117 2.764 22.040 1.00 64.11 N ATOM 21 CA ALA A 2 -5.455 1.613 21.194 1.00 0.14 C ATOM 22 C ALA A 2 -4.187 0.938 20.640 1.00 70.21 C ATOM 23 O ALA A 2 -3.722 -0.067 21.180 1.00 13.11 O ATOM 24 CB ALA A 2 -6.384 2.043 20.061 1.00 54.32 C ATOM 0 H ALA A 2 -4.920 3.622 21.524 1.00 64.11 H new ATOM 0 HA ALA A 2 -5.976 0.879 21.809 1.00 0.14 H new ATOM 0 HB1 ALA A 2 -6.626 1.179 19.442 1.00 54.32 H new ATOM 0 HB2 ALA A 2 -7.301 2.458 20.480 1.00 54.32 H new ATOM 0 HB3 ALA A 2 -5.889 2.799 19.452 1.00 54.32 H new ATOM 30 N GLY A 3 -3.616 1.506 19.576 1.00 41.34 N ATOM 31 CA GLY A 3 -2.389 0.962 18.993 1.00 64.43 C ATOM 32 C GLY A 3 -2.426 0.899 17.465 1.00 24.34 C ATOM 33 O GLY A 3 -3.394 0.398 16.886 1.00 41.04 O ATOM 0 H GLY A 3 -3.979 2.334 19.105 1.00 41.34 H new ATOM 0 HA2 GLY A 3 -1.543 1.575 19.305 1.00 64.43 H new ATOM 0 HA3 GLY A 3 -2.220 -0.040 19.388 1.00 64.43 H new ATOM 37 N PRO A 4 -1.379 1.399 16.778 1.00 64.14 N ATOM 38 CA PRO A 4 -1.312 1.368 15.309 1.00 2.43 C ATOM 39 C PRO A 4 -1.098 -0.051 14.754 1.00 41.24 C ATOM 40 O PRO A 4 0.007 -0.590 14.799 1.00 11.14 O ATOM 41 CB PRO A 4 -0.107 2.265 14.987 1.00 54.00 C ATOM 42 CG PRO A 4 0.752 2.202 16.205 1.00 54.42 C ATOM 43 CD PRO A 4 -0.187 2.039 17.374 1.00 61.12 C ATOM 0 HA PRO A 4 -2.244 1.705 14.854 1.00 2.43 H new ATOM 0 HB2 PRO A 4 0.428 1.908 14.107 1.00 54.00 H new ATOM 0 HB3 PRO A 4 -0.420 3.288 14.776 1.00 54.00 H new ATOM 0 HG2 PRO A 4 1.450 1.366 16.147 1.00 54.42 H new ATOM 0 HG3 PRO A 4 1.348 3.109 16.308 1.00 54.42 H new ATOM 0 HD2 PRO A 4 0.251 1.420 18.157 1.00 61.12 H new ATOM 0 HD3 PRO A 4 -0.432 2.999 17.828 1.00 61.12 H new ATOM 51 N GLU A 5 -2.172 -0.659 14.247 1.00 51.10 N ATOM 52 CA GLU A 5 -2.087 -1.978 13.605 1.00 34.21 C ATOM 53 C GLU A 5 -1.168 -1.938 12.371 1.00 12.00 C ATOM 54 O GLU A 5 -0.606 -2.955 11.959 1.00 53.52 O ATOM 55 CB GLU A 5 -3.488 -2.455 13.194 1.00 44.45 C ATOM 56 CG GLU A 5 -4.478 -2.546 14.351 1.00 34.10 C ATOM 57 CD GLU A 5 -5.832 -3.079 13.914 1.00 73.43 C ATOM 58 OE1 GLU A 5 -6.016 -4.313 13.922 1.00 63.31 O ATOM 59 OE2 GLU A 5 -6.715 -2.269 13.547 1.00 40.45 O ATOM 0 H GLU A 5 -3.111 -0.262 14.267 1.00 51.10 H new ATOM 0 HA GLU A 5 -1.662 -2.677 14.326 1.00 34.21 H new ATOM 0 HB2 GLU A 5 -3.886 -1.774 12.442 1.00 44.45 H new ATOM 0 HB3 GLU A 5 -3.403 -3.435 12.724 1.00 44.45 H new ATOM 0 HG2 GLU A 5 -4.068 -3.194 15.126 1.00 34.10 H new ATOM 0 HG3 GLU A 5 -4.605 -1.559 14.795 1.00 34.10 H new ATOM 66 N GLY A 6 -1.024 -0.749 11.792 1.00 10.43 N ATOM 67 CA GLY A 6 -0.184 -0.573 10.618 1.00 44.22 C ATOM 68 C GLY A 6 0.044 0.892 10.269 1.00 21.55 C ATOM 69 O GLY A 6 -0.055 1.768 11.133 1.00 63.52 O ATOM 0 H GLY A 6 -1.479 0.104 12.118 1.00 10.43 H new ATOM 0 HA2 GLY A 6 0.779 -1.055 10.790 1.00 44.22 H new ATOM 0 HA3 GLY A 6 -0.645 -1.077 9.768 1.00 44.22 H new ATOM 73 N PHE A 7 0.345 1.160 9.001 1.00 34.23 N ATOM 74 CA PHE A 7 0.615 2.524 8.533 1.00 4.23 C ATOM 75 C PHE A 7 -0.293 2.909 7.355 1.00 20.54 C ATOM 76 O PHE A 7 -0.799 2.048 6.630 1.00 44.33 O ATOM 77 CB PHE A 7 2.089 2.652 8.129 1.00 34.14 C ATOM 78 CG PHE A 7 3.048 2.319 9.247 1.00 22.13 C ATOM 79 CD1 PHE A 7 3.357 3.260 10.219 1.00 63.32 C ATOM 80 CD2 PHE A 7 3.634 1.063 9.326 1.00 3.04 C ATOM 81 CE1 PHE A 7 4.230 2.955 11.247 1.00 24.24 C ATOM 82 CE2 PHE A 7 4.507 0.754 10.352 1.00 54.10 C ATOM 83 CZ PHE A 7 4.805 1.700 11.313 1.00 33.31 C ATOM 0 H PHE A 7 0.409 0.449 8.273 1.00 34.23 H new ATOM 0 HA PHE A 7 0.401 3.210 9.352 1.00 4.23 H new ATOM 0 HB2 PHE A 7 2.285 1.992 7.284 1.00 34.14 H new ATOM 0 HB3 PHE A 7 2.278 3.670 7.789 1.00 34.14 H new ATOM 0 HD1 PHE A 7 2.910 4.242 10.172 1.00 63.32 H new ATOM 0 HD2 PHE A 7 3.405 0.319 8.577 1.00 3.04 H new ATOM 0 HE1 PHE A 7 4.462 3.696 11.997 1.00 24.24 H new ATOM 0 HE2 PHE A 7 4.956 -0.227 10.402 1.00 54.10 H new ATOM 0 HZ PHE A 7 5.487 1.459 12.115 1.00 33.31 H new ATOM 93 N GLN A 8 -0.499 4.212 7.174 1.00 24.11 N ATOM 94 CA GLN A 8 -1.331 4.729 6.081 1.00 23.32 C ATOM 95 C GLN A 8 -0.487 5.109 4.854 1.00 2.23 C ATOM 96 O GLN A 8 0.439 5.918 4.949 1.00 1.13 O ATOM 97 CB GLN A 8 -2.131 5.951 6.551 1.00 32.42 C ATOM 98 CG GLN A 8 -3.272 5.622 7.508 1.00 1.12 C ATOM 99 CD GLN A 8 -3.995 6.864 8.007 1.00 41.23 C ATOM 100 OE1 GLN A 8 -3.400 7.927 8.160 1.00 23.42 O ATOM 101 NE2 GLN A 8 -5.287 6.752 8.238 1.00 10.53 N ATOM 0 H GLN A 8 -0.100 4.935 7.772 1.00 24.11 H new ATOM 0 HA GLN A 8 -2.016 3.933 5.790 1.00 23.32 H new ATOM 0 HB2 GLN A 8 -1.452 6.649 7.040 1.00 32.42 H new ATOM 0 HB3 GLN A 8 -2.539 6.461 5.679 1.00 32.42 H new ATOM 0 HG2 GLN A 8 -3.985 4.968 7.006 1.00 1.12 H new ATOM 0 HG3 GLN A 8 -2.878 5.069 8.360 1.00 1.12 H new ATOM 0 HE21 GLN A 8 -5.754 5.855 8.102 1.00 10.53 H new ATOM 0 HE22 GLN A 8 -5.821 7.562 8.553 1.00 10.53 H new ATOM 110 N TYR A 9 -0.811 4.516 3.707 1.00 11.43 N ATOM 111 CA TYR A 9 -0.172 4.864 2.432 1.00 31.42 C ATOM 112 C TYR A 9 -1.189 5.513 1.477 1.00 61.32 C ATOM 113 O TYR A 9 -2.240 4.944 1.203 1.00 4.52 O ATOM 114 CB TYR A 9 0.434 3.614 1.779 1.00 42.31 C ATOM 115 CG TYR A 9 1.566 2.985 2.575 1.00 3.15 C ATOM 116 CD1 TYR A 9 1.305 2.135 3.647 1.00 51.43 C ATOM 117 CD2 TYR A 9 2.895 3.233 2.245 1.00 2.14 C ATOM 118 CE1 TYR A 9 2.333 1.555 4.366 1.00 3.43 C ATOM 119 CE2 TYR A 9 3.928 2.656 2.961 1.00 55.03 C ATOM 120 CZ TYR A 9 3.641 1.817 4.019 1.00 11.41 C ATOM 121 OH TYR A 9 4.667 1.235 4.728 1.00 54.20 O ATOM 0 H TYR A 9 -1.518 3.785 3.631 1.00 11.43 H new ATOM 0 HA TYR A 9 0.625 5.580 2.634 1.00 31.42 H new ATOM 0 HB2 TYR A 9 -0.353 2.873 1.639 1.00 42.31 H new ATOM 0 HB3 TYR A 9 0.804 3.878 0.788 1.00 42.31 H new ATOM 0 HD1 TYR A 9 0.282 1.925 3.921 1.00 51.43 H new ATOM 0 HD2 TYR A 9 3.123 3.887 1.416 1.00 2.14 H new ATOM 0 HE1 TYR A 9 2.113 0.900 5.196 1.00 3.43 H new ATOM 0 HE2 TYR A 9 4.954 2.861 2.694 1.00 55.03 H new ATOM 0 HH TYR A 9 5.454 1.818 4.703 1.00 54.20 H new ATOM 131 N ARG A 10 -0.868 6.698 0.967 1.00 4.31 N ATOM 132 CA ARG A 10 -1.790 7.449 0.102 1.00 24.33 C ATOM 133 C ARG A 10 -1.468 7.243 -1.388 1.00 45.30 C ATOM 134 O ARG A 10 -0.366 7.552 -1.841 1.00 54.55 O ATOM 135 CB ARG A 10 -1.721 8.943 0.453 1.00 72.40 C ATOM 136 CG ARG A 10 -2.536 9.850 -0.465 1.00 65.54 C ATOM 137 CD ARG A 10 -2.380 11.322 -0.081 1.00 24.45 C ATOM 138 NE ARG A 10 -3.030 12.213 -1.040 1.00 24.44 N ATOM 139 CZ ARG A 10 -3.231 13.488 -0.845 1.00 14.52 C ATOM 140 NH1 ARG A 10 -2.897 14.053 0.267 1.00 23.20 N ATOM 141 NH2 ARG A 10 -3.761 14.200 -1.780 1.00 21.43 N ATOM 0 H ARG A 10 0.023 7.165 1.134 1.00 4.31 H new ATOM 0 HA ARG A 10 -2.799 7.074 0.276 1.00 24.33 H new ATOM 0 HB2 ARG A 10 -2.068 9.078 1.477 1.00 72.40 H new ATOM 0 HB3 ARG A 10 -0.679 9.262 0.425 1.00 72.40 H new ATOM 0 HG2 ARG A 10 -2.217 9.706 -1.497 1.00 65.54 H new ATOM 0 HG3 ARG A 10 -3.588 9.569 -0.415 1.00 65.54 H new ATOM 0 HD2 ARG A 10 -2.805 11.485 0.910 1.00 24.45 H new ATOM 0 HD3 ARG A 10 -1.320 11.569 -0.018 1.00 24.45 H new ATOM 0 HE ARG A 10 -3.348 11.811 -1.922 1.00 24.44 H new ATOM 0 HH11 ARG A 10 -2.469 13.502 1.011 1.00 23.20 H new ATOM 0 HH12 ARG A 10 -3.062 15.051 0.402 1.00 23.20 H new ATOM 0 HH21 ARG A 10 -4.021 13.767 -2.666 1.00 21.43 H new ATOM 0 HH22 ARG A 10 -3.921 15.197 -1.634 1.00 21.43 H new ATOM 155 N ALA A 11 -2.438 6.720 -2.138 1.00 12.51 N ATOM 156 CA ALA A 11 -2.282 6.502 -3.581 1.00 41.54 C ATOM 157 C ALA A 11 -2.209 7.834 -4.347 1.00 33.42 C ATOM 158 O ALA A 11 -3.140 8.642 -4.303 1.00 25.14 O ATOM 159 CB ALA A 11 -3.425 5.638 -4.105 1.00 53.14 C ATOM 0 H ALA A 11 -3.346 6.437 -1.770 1.00 12.51 H new ATOM 0 HA ALA A 11 -1.340 5.979 -3.746 1.00 41.54 H new ATOM 0 HB1 ALA A 11 -3.301 5.481 -5.177 1.00 53.14 H new ATOM 0 HB2 ALA A 11 -3.417 4.675 -3.594 1.00 53.14 H new ATOM 0 HB3 ALA A 11 -4.375 6.139 -3.919 1.00 53.14 H new ATOM 165 N LEU A 12 -1.097 8.052 -5.043 1.00 22.13 N ATOM 166 CA LEU A 12 -0.841 9.316 -5.747 1.00 23.23 C ATOM 167 C LEU A 12 -1.708 9.468 -7.009 1.00 32.31 C ATOM 168 O LEU A 12 -2.491 10.414 -7.131 1.00 54.13 O ATOM 169 CB LEU A 12 0.644 9.401 -6.129 1.00 13.43 C ATOM 170 CG LEU A 12 1.637 9.182 -4.976 1.00 34.23 C ATOM 171 CD1 LEU A 12 3.077 9.309 -5.467 1.00 22.05 C ATOM 172 CD2 LEU A 12 1.365 10.156 -3.834 1.00 63.15 C ATOM 0 H LEU A 12 -0.349 7.365 -5.138 1.00 22.13 H new ATOM 0 HA LEU A 12 -1.105 10.128 -5.069 1.00 23.23 H new ATOM 0 HB2 LEU A 12 0.845 8.661 -6.904 1.00 13.43 H new ATOM 0 HB3 LEU A 12 0.833 10.381 -6.567 1.00 13.43 H new ATOM 0 HG LEU A 12 1.498 8.169 -4.598 1.00 34.23 H new ATOM 0 HD11 LEU A 12 3.761 9.150 -4.633 1.00 22.05 H new ATOM 0 HD12 LEU A 12 3.266 8.562 -6.238 1.00 22.05 H new ATOM 0 HD13 LEU A 12 3.234 10.305 -5.880 1.00 22.05 H new ATOM 0 HD21 LEU A 12 2.080 9.982 -3.030 1.00 63.15 H new ATOM 0 HD22 LEU A 12 1.468 11.179 -4.196 1.00 63.15 H new ATOM 0 HD23 LEU A 12 0.353 10.004 -3.459 1.00 63.15 H new ATOM 184 N TYR A 13 -1.558 8.534 -7.945 1.00 33.23 N ATOM 185 CA TYR A 13 -2.251 8.604 -9.240 1.00 41.30 C ATOM 186 C TYR A 13 -3.022 7.304 -9.528 1.00 53.24 C ATOM 187 O TYR A 13 -2.691 6.249 -8.981 1.00 42.52 O ATOM 188 CB TYR A 13 -1.234 8.884 -10.361 1.00 63.42 C ATOM 189 CG TYR A 13 -0.457 10.173 -10.157 1.00 41.11 C ATOM 190 CD1 TYR A 13 -1.039 11.405 -10.430 1.00 11.44 C ATOM 191 CD2 TYR A 13 0.848 10.158 -9.677 1.00 25.52 C ATOM 192 CE1 TYR A 13 -0.346 12.583 -10.232 1.00 31.20 C ATOM 193 CE2 TYR A 13 1.550 11.332 -9.478 1.00 33.52 C ATOM 194 CZ TYR A 13 0.949 12.541 -9.756 1.00 62.42 C ATOM 195 OH TYR A 13 1.641 13.713 -9.550 1.00 0.22 O ATOM 0 H TYR A 13 -0.961 7.714 -7.835 1.00 33.23 H new ATOM 0 HA TYR A 13 -2.974 9.419 -9.200 1.00 41.30 H new ATOM 0 HB2 TYR A 13 -0.533 8.051 -10.423 1.00 63.42 H new ATOM 0 HB3 TYR A 13 -1.759 8.931 -11.315 1.00 63.42 H new ATOM 0 HD1 TYR A 13 -2.052 11.442 -10.804 1.00 11.44 H new ATOM 0 HD2 TYR A 13 1.321 9.213 -9.456 1.00 25.52 H new ATOM 0 HE1 TYR A 13 -0.815 13.532 -10.448 1.00 31.20 H new ATOM 0 HE2 TYR A 13 2.564 11.302 -9.107 1.00 33.52 H new ATOM 0 HH TYR A 13 2.538 13.508 -9.212 1.00 0.22 H new ATOM 205 N PRO A 14 -4.062 7.357 -10.391 1.00 44.43 N ATOM 206 CA PRO A 14 -4.873 6.169 -10.714 1.00 21.52 C ATOM 207 C PRO A 14 -4.074 5.074 -11.440 1.00 74.12 C ATOM 208 O PRO A 14 -3.550 5.286 -12.537 1.00 51.31 O ATOM 209 CB PRO A 14 -5.986 6.718 -11.621 1.00 51.20 C ATOM 210 CG PRO A 14 -5.439 7.997 -12.174 1.00 45.42 C ATOM 211 CD PRO A 14 -4.531 8.560 -11.111 1.00 74.13 C ATOM 0 HA PRO A 14 -5.244 5.686 -9.810 1.00 21.52 H new ATOM 0 HB2 PRO A 14 -6.228 6.015 -12.418 1.00 51.20 H new ATOM 0 HB3 PRO A 14 -6.904 6.891 -11.059 1.00 51.20 H new ATOM 0 HG2 PRO A 14 -4.891 7.818 -13.099 1.00 45.42 H new ATOM 0 HG3 PRO A 14 -6.243 8.695 -12.409 1.00 45.42 H new ATOM 0 HD2 PRO A 14 -3.701 9.118 -11.545 1.00 74.13 H new ATOM 0 HD3 PRO A 14 -5.063 9.243 -10.449 1.00 74.13 H new ATOM 219 N PHE A 15 -3.994 3.902 -10.817 1.00 1.30 N ATOM 220 CA PHE A 15 -3.285 2.754 -11.385 1.00 4.35 C ATOM 221 C PHE A 15 -4.223 1.549 -11.540 1.00 23.53 C ATOM 222 O PHE A 15 -4.674 0.966 -10.549 1.00 14.31 O ATOM 223 CB PHE A 15 -2.091 2.383 -10.493 1.00 54.25 C ATOM 224 CG PHE A 15 -1.364 1.133 -10.934 1.00 31.21 C ATOM 225 CD1 PHE A 15 -0.477 1.166 -12.000 1.00 44.12 C ATOM 226 CD2 PHE A 15 -1.575 -0.076 -10.282 1.00 4.02 C ATOM 227 CE1 PHE A 15 0.183 0.021 -12.406 1.00 44.22 C ATOM 228 CE2 PHE A 15 -0.917 -1.221 -10.685 1.00 22.14 C ATOM 229 CZ PHE A 15 -0.037 -1.174 -11.748 1.00 44.02 C ATOM 0 H PHE A 15 -4.417 3.719 -9.907 1.00 1.30 H new ATOM 0 HA PHE A 15 -2.922 3.031 -12.375 1.00 4.35 H new ATOM 0 HB2 PHE A 15 -1.387 3.215 -10.479 1.00 54.25 H new ATOM 0 HB3 PHE A 15 -2.442 2.246 -9.470 1.00 54.25 H new ATOM 0 HD1 PHE A 15 -0.300 2.097 -12.519 1.00 44.12 H new ATOM 0 HD2 PHE A 15 -2.262 -0.120 -9.450 1.00 4.02 H new ATOM 0 HE1 PHE A 15 0.871 0.061 -13.238 1.00 44.22 H new ATOM 0 HE2 PHE A 15 -1.091 -2.154 -10.169 1.00 22.14 H new ATOM 0 HZ PHE A 15 0.478 -2.069 -12.064 1.00 44.02 H new ATOM 239 N ARG A 16 -4.522 1.182 -12.783 1.00 54.23 N ATOM 240 CA ARG A 16 -5.372 0.020 -13.052 1.00 21.01 C ATOM 241 C ARG A 16 -4.529 -1.262 -13.164 1.00 24.04 C ATOM 242 O ARG A 16 -3.573 -1.333 -13.942 1.00 54.42 O ATOM 243 CB ARG A 16 -6.197 0.236 -14.333 1.00 34.43 C ATOM 244 CG ARG A 16 -5.367 0.265 -15.616 1.00 1.24 C ATOM 245 CD ARG A 16 -6.226 0.471 -16.857 1.00 53.44 C ATOM 246 NE ARG A 16 -5.462 0.259 -18.084 1.00 1.04 N ATOM 247 CZ ARG A 16 -5.682 0.873 -19.212 1.00 40.14 C ATOM 248 NH1 ARG A 16 -6.615 1.768 -19.310 1.00 32.13 N ATOM 249 NH2 ARG A 16 -4.963 0.582 -20.245 1.00 51.55 N ATOM 0 H ARG A 16 -4.192 1.667 -13.617 1.00 54.23 H new ATOM 0 HA ARG A 16 -6.060 -0.097 -12.214 1.00 21.01 H new ATOM 0 HB2 ARG A 16 -6.939 -0.558 -14.412 1.00 34.43 H new ATOM 0 HB3 ARG A 16 -6.743 1.175 -14.246 1.00 34.43 H new ATOM 0 HG2 ARG A 16 -4.629 1.065 -15.551 1.00 1.24 H new ATOM 0 HG3 ARG A 16 -4.815 -0.670 -15.710 1.00 1.24 H new ATOM 0 HD2 ARG A 16 -7.072 -0.216 -16.832 1.00 53.44 H new ATOM 0 HD3 ARG A 16 -6.635 1.481 -16.853 1.00 53.44 H new ATOM 0 HE ARG A 16 -4.701 -0.419 -18.056 1.00 1.04 H new ATOM 0 HH11 ARG A 16 -7.187 1.999 -18.498 1.00 32.13 H new ATOM 0 HH12 ARG A 16 -6.777 2.241 -20.199 1.00 32.13 H new ATOM 0 HH21 ARG A 16 -4.230 -0.124 -20.174 1.00 51.55 H new ATOM 0 HH22 ARG A 16 -5.128 1.058 -21.132 1.00 51.55 H new ATOM 263 N ARG A 17 -4.877 -2.273 -12.378 1.00 40.34 N ATOM 264 CA ARG A 17 -4.173 -3.558 -12.425 1.00 32.31 C ATOM 265 C ARG A 17 -4.488 -4.311 -13.731 1.00 1.31 C ATOM 266 O ARG A 17 -5.544 -4.102 -14.332 1.00 2.22 O ATOM 267 CB ARG A 17 -4.567 -4.417 -11.215 1.00 63.43 C ATOM 268 CG ARG A 17 -3.882 -5.782 -11.165 1.00 64.21 C ATOM 269 CD ARG A 17 -2.377 -5.672 -10.940 1.00 74.44 C ATOM 270 NE ARG A 17 -1.736 -6.986 -10.889 1.00 63.44 N ATOM 271 CZ ARG A 17 -0.564 -7.255 -11.396 1.00 35.35 C ATOM 272 NH1 ARG A 17 0.101 -6.345 -12.033 1.00 42.42 N ATOM 273 NH2 ARG A 17 -0.063 -8.440 -11.279 1.00 10.22 N ATOM 0 H ARG A 17 -5.639 -2.233 -11.701 1.00 40.34 H new ATOM 0 HA ARG A 17 -3.101 -3.362 -12.393 1.00 32.31 H new ATOM 0 HB2 ARG A 17 -4.329 -3.870 -10.303 1.00 63.43 H new ATOM 0 HB3 ARG A 17 -5.647 -4.565 -11.225 1.00 63.43 H new ATOM 0 HG2 ARG A 17 -4.323 -6.377 -10.366 1.00 64.21 H new ATOM 0 HG3 ARG A 17 -4.069 -6.313 -12.098 1.00 64.21 H new ATOM 0 HD2 ARG A 17 -1.932 -5.082 -11.741 1.00 74.44 H new ATOM 0 HD3 ARG A 17 -2.187 -5.139 -10.008 1.00 74.44 H new ATOM 0 HE ARG A 17 -2.239 -7.743 -10.426 1.00 63.44 H new ATOM 0 HH11 ARG A 17 -0.290 -5.409 -12.142 1.00 42.42 H new ATOM 0 HH12 ARG A 17 1.016 -6.564 -12.426 1.00 42.42 H new ATOM 0 HH21 ARG A 17 -0.584 -9.168 -10.790 1.00 10.22 H new ATOM 0 HH22 ARG A 17 0.853 -8.648 -11.676 1.00 10.22 H new ATOM 287 N GLU A 18 -3.558 -5.177 -14.159 1.00 1.20 N ATOM 288 CA GLU A 18 -3.745 -6.010 -15.361 1.00 24.21 C ATOM 289 C GLU A 18 -5.146 -6.639 -15.382 1.00 4.43 C ATOM 290 O GLU A 18 -5.862 -6.571 -16.382 1.00 4.44 O ATOM 291 CB GLU A 18 -2.678 -7.120 -15.414 1.00 21.01 C ATOM 292 CG GLU A 18 -1.242 -6.622 -15.266 1.00 31.35 C ATOM 293 CD GLU A 18 -0.876 -5.549 -16.282 1.00 24.21 C ATOM 294 OE1 GLU A 18 -0.505 -5.898 -17.421 1.00 65.22 O ATOM 295 OE2 GLU A 18 -0.959 -4.350 -15.940 1.00 72.21 O ATOM 0 H GLU A 18 -2.664 -5.321 -13.690 1.00 1.20 H new ATOM 0 HA GLU A 18 -3.639 -5.367 -16.235 1.00 24.21 H new ATOM 0 HB2 GLU A 18 -2.883 -7.842 -14.623 1.00 21.01 H new ATOM 0 HB3 GLU A 18 -2.770 -7.651 -16.362 1.00 21.01 H new ATOM 0 HG2 GLU A 18 -1.103 -6.225 -14.261 1.00 31.35 H new ATOM 0 HG3 GLU A 18 -0.558 -7.464 -15.373 1.00 31.35 H new ATOM 302 N ARG A 19 -5.514 -7.252 -14.262 1.00 1.52 N ATOM 303 CA ARG A 19 -6.858 -7.792 -14.053 1.00 71.01 C ATOM 304 C ARG A 19 -7.408 -7.325 -12.694 1.00 24.31 C ATOM 305 O ARG A 19 -6.647 -7.156 -11.741 1.00 71.10 O ATOM 306 CB ARG A 19 -6.817 -9.326 -14.110 1.00 31.20 C ATOM 307 CG ARG A 19 -6.448 -9.884 -15.483 1.00 20.03 C ATOM 308 CD ARG A 19 -6.201 -11.386 -15.429 1.00 25.42 C ATOM 309 NE ARG A 19 -5.035 -11.718 -14.608 1.00 63.24 N ATOM 310 CZ ARG A 19 -4.985 -12.712 -13.761 1.00 54.51 C ATOM 311 NH1 ARG A 19 -6.001 -13.496 -13.596 1.00 3.23 N ATOM 312 NH2 ARG A 19 -3.907 -12.923 -13.082 1.00 12.43 N ATOM 0 H ARG A 19 -4.888 -7.390 -13.469 1.00 1.52 H new ATOM 0 HA ARG A 19 -7.516 -7.426 -14.841 1.00 71.01 H new ATOM 0 HB2 ARG A 19 -6.097 -9.688 -13.376 1.00 31.20 H new ATOM 0 HB3 ARG A 19 -7.792 -9.717 -13.820 1.00 31.20 H new ATOM 0 HG2 ARG A 19 -7.250 -9.672 -16.190 1.00 20.03 H new ATOM 0 HG3 ARG A 19 -5.555 -9.381 -15.853 1.00 20.03 H new ATOM 0 HD2 ARG A 19 -7.083 -11.885 -15.026 1.00 25.42 H new ATOM 0 HD3 ARG A 19 -6.054 -11.766 -16.440 1.00 25.42 H new ATOM 0 HE ARG A 19 -4.205 -11.133 -14.704 1.00 63.24 H new ATOM 0 HH11 ARG A 19 -6.856 -13.342 -14.131 1.00 3.23 H new ATOM 0 HH12 ARG A 19 -5.947 -14.268 -12.931 1.00 3.23 H new ATOM 0 HH21 ARG A 19 -3.098 -12.315 -13.208 1.00 12.43 H new ATOM 0 HH22 ARG A 19 -3.865 -13.698 -12.420 1.00 12.43 H new ATOM 326 N PRO A 20 -8.738 -7.115 -12.579 1.00 53.53 N ATOM 327 CA PRO A 20 -9.375 -6.659 -11.318 1.00 44.14 C ATOM 328 C PRO A 20 -9.131 -7.602 -10.123 1.00 15.40 C ATOM 329 O PRO A 20 -9.534 -7.309 -8.994 1.00 51.30 O ATOM 330 CB PRO A 20 -10.871 -6.620 -11.669 1.00 52.45 C ATOM 331 CG PRO A 20 -10.916 -6.516 -13.156 1.00 22.14 C ATOM 332 CD PRO A 20 -9.728 -7.287 -13.660 1.00 53.30 C ATOM 0 HA PRO A 20 -8.962 -5.703 -10.994 1.00 44.14 H new ATOM 0 HB2 PRO A 20 -11.382 -7.518 -11.321 1.00 52.45 H new ATOM 0 HB3 PRO A 20 -11.365 -5.770 -11.199 1.00 52.45 H new ATOM 0 HG2 PRO A 20 -11.845 -6.930 -13.548 1.00 22.14 H new ATOM 0 HG3 PRO A 20 -10.870 -5.475 -13.476 1.00 22.14 H new ATOM 0 HD2 PRO A 20 -9.968 -8.337 -13.824 1.00 53.30 H new ATOM 0 HD3 PRO A 20 -9.363 -6.892 -14.608 1.00 53.30 H new ATOM 340 N GLU A 21 -8.492 -8.740 -10.391 1.00 73.14 N ATOM 341 CA GLU A 21 -8.165 -9.741 -9.365 1.00 12.23 C ATOM 342 C GLU A 21 -7.398 -9.137 -8.172 1.00 64.14 C ATOM 343 O GLU A 21 -7.671 -9.475 -7.016 1.00 1.30 O ATOM 344 CB GLU A 21 -7.349 -10.877 -10.006 1.00 53.11 C ATOM 345 CG GLU A 21 -7.003 -12.022 -9.056 1.00 60.13 C ATOM 346 CD GLU A 21 -6.495 -13.256 -9.788 1.00 34.42 C ATOM 347 OE1 GLU A 21 -7.336 -14.058 -10.254 1.00 3.03 O ATOM 348 OE2 GLU A 21 -5.261 -13.429 -9.906 1.00 50.20 O ATOM 0 H GLU A 21 -8.183 -8.999 -11.328 1.00 73.14 H new ATOM 0 HA GLU A 21 -9.103 -10.130 -8.969 1.00 12.23 H new ATOM 0 HB2 GLU A 21 -7.910 -11.279 -10.850 1.00 53.11 H new ATOM 0 HB3 GLU A 21 -6.424 -10.462 -10.406 1.00 53.11 H new ATOM 0 HG2 GLU A 21 -6.245 -11.686 -8.349 1.00 60.13 H new ATOM 0 HG3 GLU A 21 -7.886 -12.287 -8.475 1.00 60.13 H new ATOM 355 N ASP A 22 -6.443 -8.251 -8.451 1.00 52.41 N ATOM 356 CA ASP A 22 -5.658 -7.601 -7.388 1.00 25.44 C ATOM 357 C ASP A 22 -6.303 -6.279 -6.936 1.00 44.42 C ATOM 358 O ASP A 22 -7.480 -6.027 -7.192 1.00 44.22 O ATOM 359 CB ASP A 22 -4.228 -7.345 -7.868 1.00 64.33 C ATOM 360 CG ASP A 22 -3.554 -8.607 -8.366 1.00 30.04 C ATOM 361 OD1 ASP A 22 -2.974 -9.339 -7.537 1.00 73.33 O ATOM 362 OD2 ASP A 22 -3.598 -8.867 -9.588 1.00 33.42 O ATOM 0 H ASP A 22 -6.191 -7.964 -9.397 1.00 52.41 H new ATOM 0 HA ASP A 22 -5.638 -8.276 -6.532 1.00 25.44 H new ATOM 0 HB2 ASP A 22 -4.243 -6.604 -8.667 1.00 64.33 H new ATOM 0 HB3 ASP A 22 -3.643 -6.922 -7.051 1.00 64.33 H new ATOM 367 N LEU A 23 -5.521 -5.434 -6.264 1.00 35.22 N ATOM 368 CA LEU A 23 -6.030 -4.163 -5.733 1.00 0.50 C ATOM 369 C LEU A 23 -5.655 -2.985 -6.650 1.00 2.32 C ATOM 370 O LEU A 23 -4.515 -2.874 -7.104 1.00 51.10 O ATOM 371 CB LEU A 23 -5.477 -3.940 -4.318 1.00 53.41 C ATOM 372 CG LEU A 23 -6.123 -2.795 -3.518 1.00 73.40 C ATOM 373 CD1 LEU A 23 -7.632 -2.999 -3.390 1.00 65.44 C ATOM 374 CD2 LEU A 23 -5.480 -2.681 -2.136 1.00 33.41 C ATOM 0 H LEU A 23 -4.533 -5.604 -6.073 1.00 35.22 H new ATOM 0 HA LEU A 23 -7.118 -4.215 -5.692 1.00 0.50 H new ATOM 0 HB2 LEU A 23 -5.595 -4.864 -3.753 1.00 53.41 H new ATOM 0 HB3 LEU A 23 -4.407 -3.747 -4.393 1.00 53.41 H new ATOM 0 HG LEU A 23 -5.953 -1.865 -4.060 1.00 73.40 H new ATOM 0 HD11 LEU A 23 -8.063 -2.176 -2.820 1.00 65.44 H new ATOM 0 HD12 LEU A 23 -8.081 -3.028 -4.383 1.00 65.44 H new ATOM 0 HD13 LEU A 23 -7.830 -3.939 -2.875 1.00 65.44 H new ATOM 0 HD21 LEU A 23 -5.948 -1.867 -1.583 1.00 33.41 H new ATOM 0 HD22 LEU A 23 -5.618 -3.615 -1.592 1.00 33.41 H new ATOM 0 HD23 LEU A 23 -4.414 -2.479 -2.246 1.00 33.41 H new ATOM 386 N GLU A 24 -6.623 -2.106 -6.917 1.00 42.21 N ATOM 387 CA GLU A 24 -6.424 -0.979 -7.842 1.00 15.12 C ATOM 388 C GLU A 24 -6.363 0.365 -7.095 1.00 62.44 C ATOM 389 O GLU A 24 -7.130 0.605 -6.159 1.00 41.10 O ATOM 390 CB GLU A 24 -7.554 -0.954 -8.878 1.00 12.22 C ATOM 391 CG GLU A 24 -7.703 -2.255 -9.660 1.00 43.42 C ATOM 392 CD GLU A 24 -8.893 -2.233 -10.602 1.00 32.10 C ATOM 393 OE1 GLU A 24 -10.032 -2.448 -10.134 1.00 41.02 O ATOM 394 OE2 GLU A 24 -8.701 -1.975 -11.810 1.00 33.13 O ATOM 0 H GLU A 24 -7.556 -2.150 -6.507 1.00 42.21 H new ATOM 0 HA GLU A 24 -5.468 -1.121 -8.345 1.00 15.12 H new ATOM 0 HB2 GLU A 24 -8.494 -0.736 -8.371 1.00 12.22 H new ATOM 0 HB3 GLU A 24 -7.374 -0.139 -9.579 1.00 12.22 H new ATOM 0 HG2 GLU A 24 -6.794 -2.437 -10.233 1.00 43.42 H new ATOM 0 HG3 GLU A 24 -7.812 -3.085 -8.962 1.00 43.42 H new ATOM 401 N LEU A 25 -5.468 1.250 -7.537 1.00 12.43 N ATOM 402 CA LEU A 25 -5.203 2.510 -6.827 1.00 52.14 C ATOM 403 C LEU A 25 -5.912 3.716 -7.475 1.00 22.42 C ATOM 404 O LEU A 25 -5.846 3.914 -8.689 1.00 14.05 O ATOM 405 CB LEU A 25 -3.688 2.770 -6.780 1.00 12.55 C ATOM 406 CG LEU A 25 -2.850 1.654 -6.134 1.00 33.33 C ATOM 407 CD1 LEU A 25 -1.366 2.012 -6.151 1.00 42.34 C ATOM 408 CD2 LEU A 25 -3.323 1.382 -4.708 1.00 22.21 C ATOM 0 H LEU A 25 -4.913 1.121 -8.383 1.00 12.43 H new ATOM 0 HA LEU A 25 -5.602 2.401 -5.818 1.00 52.14 H new ATOM 0 HB2 LEU A 25 -3.331 2.927 -7.798 1.00 12.55 H new ATOM 0 HB3 LEU A 25 -3.512 3.697 -6.234 1.00 12.55 H new ATOM 0 HG LEU A 25 -2.986 0.744 -6.719 1.00 33.33 H new ATOM 0 HD11 LEU A 25 -0.793 1.208 -5.689 1.00 42.34 H new ATOM 0 HD12 LEU A 25 -1.036 2.147 -7.181 1.00 42.34 H new ATOM 0 HD13 LEU A 25 -1.208 2.936 -5.595 1.00 42.34 H new ATOM 0 HD21 LEU A 25 -2.717 0.589 -4.269 1.00 22.21 H new ATOM 0 HD22 LEU A 25 -3.222 2.289 -4.112 1.00 22.21 H new ATOM 0 HD23 LEU A 25 -4.368 1.073 -4.724 1.00 22.21 H new ATOM 420 N LEU A 26 -6.597 4.514 -6.651 1.00 40.42 N ATOM 421 CA LEU A 26 -7.217 5.776 -7.096 1.00 72.32 C ATOM 422 C LEU A 26 -6.552 6.981 -6.398 1.00 64.33 C ATOM 423 O LEU A 26 -6.099 6.871 -5.256 1.00 50.11 O ATOM 424 CB LEU A 26 -8.737 5.767 -6.821 1.00 60.55 C ATOM 425 CG LEU A 26 -9.613 5.029 -7.854 1.00 51.24 C ATOM 426 CD1 LEU A 26 -9.474 5.664 -9.236 1.00 71.54 C ATOM 427 CD2 LEU A 26 -9.269 3.542 -7.911 1.00 23.13 C ATOM 0 H LEU A 26 -6.740 4.310 -5.662 1.00 40.42 H new ATOM 0 HA LEU A 26 -7.064 5.869 -8.171 1.00 72.32 H new ATOM 0 HB2 LEU A 26 -8.905 5.314 -5.844 1.00 60.55 H new ATOM 0 HB3 LEU A 26 -9.079 6.800 -6.757 1.00 60.55 H new ATOM 0 HG LEU A 26 -10.651 5.122 -7.534 1.00 51.24 H new ATOM 0 HD11 LEU A 26 -10.101 5.127 -9.948 1.00 71.54 H new ATOM 0 HD12 LEU A 26 -9.788 6.707 -9.191 1.00 71.54 H new ATOM 0 HD13 LEU A 26 -8.434 5.612 -9.557 1.00 71.54 H new ATOM 0 HD21 LEU A 26 -9.903 3.050 -8.648 1.00 23.13 H new ATOM 0 HD22 LEU A 26 -8.223 3.421 -8.194 1.00 23.13 H new ATOM 0 HD23 LEU A 26 -9.434 3.092 -6.932 1.00 23.13 H new ATOM 439 N PRO A 27 -6.491 8.154 -7.066 1.00 72.23 N ATOM 440 CA PRO A 27 -5.776 9.331 -6.534 1.00 33.51 C ATOM 441 C PRO A 27 -6.425 9.911 -5.264 1.00 50.45 C ATOM 442 O PRO A 27 -7.469 10.566 -5.324 1.00 30.44 O ATOM 443 CB PRO A 27 -5.842 10.337 -7.694 1.00 41.54 C ATOM 444 CG PRO A 27 -7.051 9.937 -8.474 1.00 64.23 C ATOM 445 CD PRO A 27 -7.123 8.437 -8.371 1.00 71.10 C ATOM 0 HA PRO A 27 -4.762 9.081 -6.224 1.00 33.51 H new ATOM 0 HB2 PRO A 27 -5.928 11.360 -7.327 1.00 41.54 H new ATOM 0 HB3 PRO A 27 -4.942 10.293 -8.308 1.00 41.54 H new ATOM 0 HG2 PRO A 27 -7.950 10.401 -8.068 1.00 64.23 H new ATOM 0 HG3 PRO A 27 -6.969 10.255 -9.513 1.00 64.23 H new ATOM 0 HD2 PRO A 27 -8.153 8.081 -8.405 1.00 71.10 H new ATOM 0 HD3 PRO A 27 -6.591 7.952 -9.189 1.00 71.10 H new ATOM 453 N GLY A 28 -5.795 9.669 -4.115 1.00 62.02 N ATOM 454 CA GLY A 28 -6.311 10.181 -2.848 1.00 3.40 C ATOM 455 C GLY A 28 -6.748 9.089 -1.872 1.00 43.53 C ATOM 456 O GLY A 28 -7.134 9.387 -0.737 1.00 13.33 O ATOM 0 H GLY A 28 -4.935 9.127 -4.036 1.00 62.02 H new ATOM 0 HA2 GLY A 28 -5.543 10.792 -2.374 1.00 3.40 H new ATOM 0 HA3 GLY A 28 -7.159 10.835 -3.050 1.00 3.40 H new ATOM 460 N ASP A 29 -6.703 7.829 -2.307 1.00 35.13 N ATOM 461 CA ASP A 29 -7.054 6.698 -1.438 1.00 63.22 C ATOM 462 C ASP A 29 -6.027 6.499 -0.313 1.00 0.42 C ATOM 463 O ASP A 29 -4.819 6.467 -0.554 1.00 73.21 O ATOM 464 CB ASP A 29 -7.174 5.405 -2.259 1.00 63.45 C ATOM 465 CG ASP A 29 -8.606 5.100 -2.670 1.00 52.04 C ATOM 466 OD1 ASP A 29 -9.101 5.738 -3.619 1.00 13.12 O ATOM 467 OD2 ASP A 29 -9.231 4.207 -2.047 1.00 0.23 O ATOM 0 H ASP A 29 -6.428 7.563 -3.253 1.00 35.13 H new ATOM 0 HA ASP A 29 -8.016 6.931 -0.981 1.00 63.22 H new ATOM 0 HB2 ASP A 29 -6.554 5.488 -3.152 1.00 63.45 H new ATOM 0 HB3 ASP A 29 -6.783 4.572 -1.675 1.00 63.45 H new ATOM 472 N VAL A 30 -6.525 6.371 0.911 1.00 23.25 N ATOM 473 CA VAL A 30 -5.685 6.047 2.065 1.00 55.13 C ATOM 474 C VAL A 30 -5.728 4.539 2.363 1.00 2.33 C ATOM 475 O VAL A 30 -6.719 4.017 2.876 1.00 42.21 O ATOM 476 CB VAL A 30 -6.130 6.836 3.322 1.00 53.43 C ATOM 477 CG1 VAL A 30 -5.285 6.462 4.538 1.00 61.44 C ATOM 478 CG2 VAL A 30 -6.071 8.342 3.061 1.00 52.22 C ATOM 0 H VAL A 30 -7.514 6.487 1.134 1.00 23.25 H new ATOM 0 HA VAL A 30 -4.663 6.334 1.816 1.00 55.13 H new ATOM 0 HB VAL A 30 -7.163 6.565 3.540 1.00 53.43 H new ATOM 0 HG11 VAL A 30 -5.621 7.032 5.404 1.00 61.44 H new ATOM 0 HG12 VAL A 30 -5.392 5.396 4.741 1.00 61.44 H new ATOM 0 HG13 VAL A 30 -4.238 6.690 4.338 1.00 61.44 H new ATOM 0 HG21 VAL A 30 -6.387 8.879 3.955 1.00 52.22 H new ATOM 0 HG22 VAL A 30 -5.050 8.628 2.808 1.00 52.22 H new ATOM 0 HG23 VAL A 30 -6.734 8.594 2.233 1.00 52.22 H new ATOM 488 N LEU A 31 -4.650 3.842 2.017 1.00 74.33 N ATOM 489 CA LEU A 31 -4.563 2.394 2.218 1.00 14.24 C ATOM 490 C LEU A 31 -3.977 2.050 3.592 1.00 63.10 C ATOM 491 O LEU A 31 -2.941 2.586 3.992 1.00 14.35 O ATOM 492 CB LEU A 31 -3.712 1.737 1.117 1.00 13.42 C ATOM 493 CG LEU A 31 -4.287 1.819 -0.309 1.00 64.31 C ATOM 494 CD1 LEU A 31 -4.167 3.230 -0.886 1.00 12.12 C ATOM 495 CD2 LEU A 31 -3.606 0.807 -1.221 1.00 53.25 C ATOM 0 H LEU A 31 -3.819 4.256 1.594 1.00 74.33 H new ATOM 0 HA LEU A 31 -5.579 2.003 2.167 1.00 14.24 H new ATOM 0 HB2 LEU A 31 -2.726 2.202 1.119 1.00 13.42 H new ATOM 0 HB3 LEU A 31 -3.569 0.687 1.372 1.00 13.42 H new ATOM 0 HG LEU A 31 -5.348 1.577 -0.250 1.00 64.31 H new ATOM 0 HD11 LEU A 31 -4.583 3.248 -1.893 1.00 12.12 H new ATOM 0 HD12 LEU A 31 -4.715 3.929 -0.254 1.00 12.12 H new ATOM 0 HD13 LEU A 31 -3.117 3.520 -0.922 1.00 12.12 H new ATOM 0 HD21 LEU A 31 -4.026 0.881 -2.224 1.00 53.25 H new ATOM 0 HD22 LEU A 31 -2.536 1.014 -1.260 1.00 53.25 H new ATOM 0 HD23 LEU A 31 -3.767 -0.199 -0.833 1.00 53.25 H new ATOM 507 N VAL A 32 -4.650 1.157 4.314 1.00 22.21 N ATOM 508 CA VAL A 32 -4.167 0.689 5.618 1.00 20.12 C ATOM 509 C VAL A 32 -3.355 -0.612 5.480 1.00 74.34 C ATOM 510 O VAL A 32 -3.912 -1.682 5.229 1.00 41.41 O ATOM 511 CB VAL A 32 -5.342 0.457 6.607 1.00 53.10 C ATOM 512 CG1 VAL A 32 -4.829 0.023 7.984 1.00 30.40 C ATOM 513 CG2 VAL A 32 -6.205 1.716 6.716 1.00 4.55 C ATOM 0 H VAL A 32 -5.533 0.740 4.020 1.00 22.21 H new ATOM 0 HA VAL A 32 -3.520 1.472 6.014 1.00 20.12 H new ATOM 0 HB VAL A 32 -5.961 -0.351 6.216 1.00 53.10 H new ATOM 0 HG11 VAL A 32 -5.674 -0.132 8.655 1.00 30.40 H new ATOM 0 HG12 VAL A 32 -4.268 -0.906 7.887 1.00 30.40 H new ATOM 0 HG13 VAL A 32 -4.180 0.798 8.391 1.00 30.40 H new ATOM 0 HG21 VAL A 32 -7.024 1.537 7.413 1.00 4.55 H new ATOM 0 HG22 VAL A 32 -5.596 2.545 7.077 1.00 4.55 H new ATOM 0 HG23 VAL A 32 -6.611 1.965 5.736 1.00 4.55 H new ATOM 523 N VAL A 33 -2.034 -0.507 5.621 1.00 3.51 N ATOM 524 CA VAL A 33 -1.145 -1.677 5.564 1.00 13.54 C ATOM 525 C VAL A 33 -0.645 -2.052 6.968 1.00 10.11 C ATOM 526 O VAL A 33 0.026 -1.261 7.629 1.00 51.12 O ATOM 527 CB VAL A 33 0.070 -1.413 4.638 1.00 44.21 C ATOM 528 CG1 VAL A 33 0.984 -2.638 4.575 1.00 0.24 C ATOM 529 CG2 VAL A 33 -0.397 -1.009 3.237 1.00 51.34 C ATOM 0 H VAL A 33 -1.550 0.378 5.776 1.00 3.51 H new ATOM 0 HA VAL A 33 -1.724 -2.506 5.156 1.00 13.54 H new ATOM 0 HB VAL A 33 0.644 -0.587 5.057 1.00 44.21 H new ATOM 0 HG11 VAL A 33 1.829 -2.428 3.919 1.00 0.24 H new ATOM 0 HG12 VAL A 33 1.350 -2.871 5.575 1.00 0.24 H new ATOM 0 HG13 VAL A 33 0.425 -3.489 4.186 1.00 0.24 H new ATOM 0 HG21 VAL A 33 0.471 -0.828 2.602 1.00 51.34 H new ATOM 0 HG22 VAL A 33 -0.999 -1.811 2.809 1.00 51.34 H new ATOM 0 HG23 VAL A 33 -0.996 -0.100 3.301 1.00 51.34 H new ATOM 539 N SER A 34 -0.974 -3.259 7.426 1.00 54.42 N ATOM 540 CA SER A 34 -0.608 -3.687 8.783 1.00 5.33 C ATOM 541 C SER A 34 0.907 -3.901 8.926 1.00 33.12 C ATOM 542 O SER A 34 1.566 -4.424 8.024 1.00 12.20 O ATOM 543 CB SER A 34 -1.347 -4.976 9.173 1.00 54.35 C ATOM 544 OG SER A 34 -0.910 -6.085 8.400 1.00 44.32 O ATOM 0 H SER A 34 -1.488 -3.955 6.886 1.00 54.42 H new ATOM 0 HA SER A 34 -0.907 -2.884 9.457 1.00 5.33 H new ATOM 0 HB2 SER A 34 -1.185 -5.183 10.231 1.00 54.35 H new ATOM 0 HB3 SER A 34 -2.419 -4.837 9.036 1.00 54.35 H new ATOM 0 HG SER A 34 -1.399 -6.888 8.675 1.00 44.32 H new ATOM 550 N ARG A 35 1.457 -3.502 10.076 1.00 55.33 N ATOM 551 CA ARG A 35 2.888 -3.682 10.356 1.00 61.05 C ATOM 552 C ARG A 35 3.265 -5.172 10.323 1.00 54.34 C ATOM 553 O ARG A 35 4.401 -5.537 10.009 1.00 21.13 O ATOM 554 CB ARG A 35 3.245 -3.052 11.714 1.00 45.25 C ATOM 555 CG ARG A 35 4.718 -3.182 12.100 1.00 71.55 C ATOM 556 CD ARG A 35 5.047 -2.397 13.371 1.00 72.42 C ATOM 557 NE ARG A 35 4.143 -2.724 14.473 1.00 3.54 N ATOM 558 CZ ARG A 35 4.335 -3.700 15.323 1.00 63.14 C ATOM 559 NH1 ARG A 35 5.397 -4.438 15.251 1.00 22.44 N ATOM 560 NH2 ARG A 35 3.472 -3.919 16.262 1.00 74.34 N ATOM 0 H ARG A 35 0.936 -3.053 10.829 1.00 55.33 H new ATOM 0 HA ARG A 35 3.463 -3.176 9.580 1.00 61.05 H new ATOM 0 HB2 ARG A 35 2.979 -1.995 11.692 1.00 45.25 H new ATOM 0 HB3 ARG A 35 2.636 -3.518 12.489 1.00 45.25 H new ATOM 0 HG2 ARG A 35 4.962 -4.234 12.250 1.00 71.55 H new ATOM 0 HG3 ARG A 35 5.341 -2.823 11.281 1.00 71.55 H new ATOM 0 HD2 ARG A 35 6.073 -2.608 13.671 1.00 72.42 H new ATOM 0 HD3 ARG A 35 4.990 -1.329 13.161 1.00 72.42 H new ATOM 0 HE ARG A 35 3.306 -2.152 14.587 1.00 3.54 H new ATOM 0 HH11 ARG A 35 6.093 -4.261 14.527 1.00 22.44 H new ATOM 0 HH12 ARG A 35 5.537 -5.196 15.919 1.00 22.44 H new ATOM 0 HH21 ARG A 35 2.642 -3.331 16.339 1.00 74.34 H new ATOM 0 HH22 ARG A 35 3.621 -4.680 16.925 1.00 74.34 H new ATOM 574 N ALA A 36 2.292 -6.028 10.638 1.00 13.35 N ATOM 575 CA ALA A 36 2.467 -7.479 10.533 1.00 24.03 C ATOM 576 C ALA A 36 2.735 -7.896 9.077 1.00 21.13 C ATOM 577 O ALA A 36 3.629 -8.705 8.805 1.00 65.32 O ATOM 578 CB ALA A 36 1.236 -8.198 11.077 1.00 1.12 C ATOM 0 H ALA A 36 1.371 -5.741 10.969 1.00 13.35 H new ATOM 0 HA ALA A 36 3.333 -7.765 11.130 1.00 24.03 H new ATOM 0 HB1 ALA A 36 1.378 -9.276 10.994 1.00 1.12 H new ATOM 0 HB2 ALA A 36 1.092 -7.931 12.124 1.00 1.12 H new ATOM 0 HB3 ALA A 36 0.358 -7.902 10.503 1.00 1.12 H new ATOM 584 N ALA A 37 1.964 -7.333 8.143 1.00 42.24 N ATOM 585 CA ALA A 37 2.168 -7.590 6.712 1.00 42.41 C ATOM 586 C ALA A 37 3.579 -7.169 6.275 1.00 13.11 C ATOM 587 O ALA A 37 4.268 -7.907 5.572 1.00 23.11 O ATOM 588 CB ALA A 37 1.113 -6.862 5.883 1.00 12.14 C ATOM 0 H ALA A 37 1.194 -6.697 8.350 1.00 42.24 H new ATOM 0 HA ALA A 37 2.065 -8.662 6.542 1.00 42.41 H new ATOM 0 HB1 ALA A 37 1.279 -7.063 4.825 1.00 12.14 H new ATOM 0 HB2 ALA A 37 0.121 -7.212 6.168 1.00 12.14 H new ATOM 0 HB3 ALA A 37 1.185 -5.789 6.064 1.00 12.14 H new ATOM 594 N LEU A 38 4.005 -5.980 6.709 1.00 3.25 N ATOM 595 CA LEU A 38 5.359 -5.483 6.424 1.00 74.34 C ATOM 596 C LEU A 38 6.433 -6.491 6.869 1.00 44.03 C ATOM 597 O LEU A 38 7.397 -6.750 6.144 1.00 1.00 O ATOM 598 CB LEU A 38 5.588 -4.134 7.118 1.00 73.44 C ATOM 599 CG LEU A 38 4.666 -2.992 6.659 1.00 33.22 C ATOM 600 CD1 LEU A 38 4.962 -1.717 7.443 1.00 11.21 C ATOM 601 CD2 LEU A 38 4.810 -2.750 5.156 1.00 4.21 C ATOM 0 H LEU A 38 3.433 -5.341 7.260 1.00 3.25 H new ATOM 0 HA LEU A 38 5.444 -5.352 5.345 1.00 74.34 H new ATOM 0 HB2 LEU A 38 5.462 -4.271 8.192 1.00 73.44 H new ATOM 0 HB3 LEU A 38 6.622 -3.831 6.955 1.00 73.44 H new ATOM 0 HG LEU A 38 3.635 -3.284 6.857 1.00 33.22 H new ATOM 0 HD11 LEU A 38 4.300 -0.920 7.105 1.00 11.21 H new ATOM 0 HD12 LEU A 38 4.799 -1.897 8.506 1.00 11.21 H new ATOM 0 HD13 LEU A 38 5.998 -1.422 7.280 1.00 11.21 H new ATOM 0 HD21 LEU A 38 4.149 -1.938 4.853 1.00 4.21 H new ATOM 0 HD22 LEU A 38 5.842 -2.482 4.928 1.00 4.21 H new ATOM 0 HD23 LEU A 38 4.542 -3.657 4.614 1.00 4.21 H new ATOM 613 N GLN A 39 6.253 -7.064 8.060 1.00 22.12 N ATOM 614 CA GLN A 39 7.167 -8.093 8.578 1.00 45.31 C ATOM 615 C GLN A 39 7.220 -9.314 7.644 1.00 12.01 C ATOM 616 O GLN A 39 8.295 -9.849 7.369 1.00 53.53 O ATOM 617 CB GLN A 39 6.746 -8.513 9.994 1.00 52.32 C ATOM 618 CG GLN A 39 6.936 -7.415 11.041 1.00 64.24 C ATOM 619 CD GLN A 39 8.403 -7.088 11.290 1.00 11.42 C ATOM 620 OE1 GLN A 39 9.042 -7.674 12.156 1.00 65.21 O ATOM 621 NE2 GLN A 39 8.956 -6.162 10.528 1.00 53.22 N ATOM 0 H GLN A 39 5.482 -6.835 8.688 1.00 22.12 H new ATOM 0 HA GLN A 39 8.169 -7.665 8.622 1.00 45.31 H new ATOM 0 HB2 GLN A 39 5.698 -8.811 9.979 1.00 52.32 H new ATOM 0 HB3 GLN A 39 7.322 -9.389 10.290 1.00 52.32 H new ATOM 0 HG2 GLN A 39 6.417 -6.514 10.715 1.00 64.24 H new ATOM 0 HG3 GLN A 39 6.474 -7.727 11.977 1.00 64.24 H new ATOM 0 HE21 GLN A 39 8.400 -5.690 9.815 1.00 53.22 H new ATOM 0 HE22 GLN A 39 9.939 -5.919 10.653 1.00 53.22 H new ATOM 630 N ALA A 40 6.061 -9.740 7.144 1.00 2.10 N ATOM 631 CA ALA A 40 5.994 -10.842 6.174 1.00 10.54 C ATOM 632 C ALA A 40 6.740 -10.487 4.872 1.00 74.41 C ATOM 633 O ALA A 40 7.420 -11.329 4.278 1.00 34.13 O ATOM 634 CB ALA A 40 4.541 -11.192 5.874 1.00 15.22 C ATOM 0 H ALA A 40 5.155 -9.342 7.391 1.00 2.10 H new ATOM 0 HA ALA A 40 6.484 -11.710 6.615 1.00 10.54 H new ATOM 0 HB1 ALA A 40 4.505 -12.010 5.154 1.00 15.22 H new ATOM 0 HB2 ALA A 40 4.043 -11.496 6.794 1.00 15.22 H new ATOM 0 HB3 ALA A 40 4.035 -10.320 5.459 1.00 15.22 H new ATOM 640 N LEU A 41 6.604 -9.232 4.444 1.00 61.44 N ATOM 641 CA LEU A 41 7.300 -8.725 3.251 1.00 52.25 C ATOM 642 C LEU A 41 8.822 -8.675 3.461 1.00 1.53 C ATOM 643 O LEU A 41 9.597 -8.739 2.506 1.00 3.24 O ATOM 644 CB LEU A 41 6.797 -7.314 2.907 1.00 25.32 C ATOM 645 CG LEU A 41 5.286 -7.184 2.669 1.00 25.33 C ATOM 646 CD1 LEU A 41 4.904 -5.725 2.437 1.00 71.12 C ATOM 647 CD2 LEU A 41 4.844 -8.055 1.495 1.00 72.42 C ATOM 0 H LEU A 41 6.015 -8.540 4.907 1.00 61.44 H new ATOM 0 HA LEU A 41 7.085 -9.411 2.432 1.00 52.25 H new ATOM 0 HB2 LEU A 41 7.078 -6.641 3.717 1.00 25.32 H new ATOM 0 HB3 LEU A 41 7.318 -6.971 2.013 1.00 25.32 H new ATOM 0 HG LEU A 41 4.768 -7.535 3.561 1.00 25.33 H new ATOM 0 HD11 LEU A 41 3.829 -5.652 2.270 1.00 71.12 H new ATOM 0 HD12 LEU A 41 5.176 -5.134 3.312 1.00 71.12 H new ATOM 0 HD13 LEU A 41 5.433 -5.345 1.563 1.00 71.12 H new ATOM 0 HD21 LEU A 41 3.770 -7.946 1.346 1.00 72.42 H new ATOM 0 HD22 LEU A 41 5.369 -7.743 0.592 1.00 72.42 H new ATOM 0 HD23 LEU A 41 5.077 -9.098 1.708 1.00 72.42 H new ATOM 659 N GLY A 42 9.238 -8.554 4.719 1.00 75.50 N ATOM 660 CA GLY A 42 10.656 -8.410 5.037 1.00 10.25 C ATOM 661 C GLY A 42 11.073 -6.952 5.214 1.00 64.34 C ATOM 662 O GLY A 42 12.246 -6.603 5.053 1.00 41.24 O ATOM 0 H GLY A 42 8.619 -8.553 5.529 1.00 75.50 H new ATOM 0 HA2 GLY A 42 10.877 -8.961 5.951 1.00 10.25 H new ATOM 0 HA3 GLY A 42 11.250 -8.860 4.242 1.00 10.25 H new ATOM 666 N VAL A 43 10.105 -6.095 5.536 1.00 51.24 N ATOM 667 CA VAL A 43 10.361 -4.671 5.757 1.00 12.43 C ATOM 668 C VAL A 43 10.832 -4.412 7.195 1.00 33.13 C ATOM 669 O VAL A 43 10.049 -4.497 8.145 1.00 72.10 O ATOM 670 CB VAL A 43 9.101 -3.817 5.465 1.00 52.45 C ATOM 671 CG1 VAL A 43 9.402 -2.327 5.628 1.00 1.41 C ATOM 672 CG2 VAL A 43 8.559 -4.115 4.067 1.00 53.21 C ATOM 0 H VAL A 43 9.128 -6.365 5.651 1.00 51.24 H new ATOM 0 HA VAL A 43 11.150 -4.378 5.065 1.00 12.43 H new ATOM 0 HB VAL A 43 8.333 -4.085 6.191 1.00 52.45 H new ATOM 0 HG11 VAL A 43 8.502 -1.749 5.418 1.00 1.41 H new ATOM 0 HG12 VAL A 43 9.729 -2.131 6.649 1.00 1.41 H new ATOM 0 HG13 VAL A 43 10.190 -2.037 4.933 1.00 1.41 H new ATOM 0 HG21 VAL A 43 7.675 -3.505 3.882 1.00 53.21 H new ATOM 0 HG22 VAL A 43 9.322 -3.883 3.324 1.00 53.21 H new ATOM 0 HG23 VAL A 43 8.293 -5.170 3.997 1.00 53.21 H new ATOM 682 N ALA A 44 12.118 -4.110 7.343 1.00 54.00 N ATOM 683 CA ALA A 44 12.709 -3.834 8.655 1.00 2.11 C ATOM 684 C ALA A 44 12.228 -2.490 9.230 1.00 1.01 C ATOM 685 O ALA A 44 11.927 -1.549 8.489 1.00 11.23 O ATOM 686 CB ALA A 44 14.229 -3.859 8.554 1.00 43.00 C ATOM 0 H ALA A 44 12.777 -4.049 6.567 1.00 54.00 H new ATOM 0 HA ALA A 44 12.380 -4.614 9.341 1.00 2.11 H new ATOM 0 HB1 ALA A 44 14.662 -3.653 9.533 1.00 43.00 H new ATOM 0 HB2 ALA A 44 14.555 -4.841 8.212 1.00 43.00 H new ATOM 0 HB3 ALA A 44 14.559 -3.100 7.844 1.00 43.00 H new ATOM 692 N GLU A 45 12.164 -2.412 10.558 1.00 40.42 N ATOM 693 CA GLU A 45 11.717 -1.199 11.253 1.00 73.32 C ATOM 694 C GLU A 45 12.666 -0.023 10.967 1.00 73.34 C ATOM 695 O GLU A 45 13.830 -0.038 11.373 1.00 31.51 O ATOM 696 CB GLU A 45 11.634 -1.461 12.763 1.00 20.33 C ATOM 697 CG GLU A 45 10.772 -2.667 13.129 1.00 71.24 C ATOM 698 CD GLU A 45 10.715 -2.924 14.628 1.00 4.32 C ATOM 699 OE1 GLU A 45 11.749 -3.319 15.206 1.00 55.24 O ATOM 700 OE2 GLU A 45 9.637 -2.736 15.234 1.00 41.22 O ATOM 0 H GLU A 45 12.417 -3.179 11.181 1.00 40.42 H new ATOM 0 HA GLU A 45 10.727 -0.934 10.883 1.00 73.32 H new ATOM 0 HB2 GLU A 45 12.641 -1.613 13.152 1.00 20.33 H new ATOM 0 HB3 GLU A 45 11.232 -0.575 13.255 1.00 20.33 H new ATOM 0 HG2 GLU A 45 9.761 -2.511 12.754 1.00 71.24 H new ATOM 0 HG3 GLU A 45 11.164 -3.552 12.629 1.00 71.24 H new ATOM 707 N GLY A 46 12.159 0.991 10.270 1.00 71.05 N ATOM 708 CA GLY A 46 12.999 2.099 9.816 1.00 51.00 C ATOM 709 C GLY A 46 13.011 2.239 8.295 1.00 63.00 C ATOM 710 O GLY A 46 13.521 3.223 7.756 1.00 4.30 O ATOM 0 H GLY A 46 11.176 1.070 10.008 1.00 71.05 H new ATOM 0 HA2 GLY A 46 12.641 3.028 10.260 1.00 51.00 H new ATOM 0 HA3 GLY A 46 14.018 1.948 10.172 1.00 51.00 H new ATOM 714 N GLY A 47 12.462 1.239 7.599 1.00 1.31 N ATOM 715 CA GLY A 47 12.344 1.296 6.138 1.00 24.42 C ATOM 716 C GLY A 47 10.893 1.346 5.658 1.00 41.35 C ATOM 717 O GLY A 47 10.624 1.317 4.456 1.00 55.12 O ATOM 0 H GLY A 47 12.094 0.386 8.020 1.00 1.31 H new ATOM 0 HA2 GLY A 47 12.873 2.175 5.770 1.00 24.42 H new ATOM 0 HA3 GLY A 47 12.834 0.424 5.705 1.00 24.42 H new ATOM 721 N GLU A 48 9.961 1.445 6.604 1.00 41.34 N ATOM 722 CA GLU A 48 8.521 1.441 6.302 1.00 63.52 C ATOM 723 C GLU A 48 8.085 2.698 5.528 1.00 2.14 C ATOM 724 O GLU A 48 7.072 2.688 4.830 1.00 12.41 O ATOM 725 CB GLU A 48 7.696 1.321 7.600 1.00 51.30 C ATOM 726 CG GLU A 48 7.793 2.530 8.539 1.00 22.23 C ATOM 727 CD GLU A 48 9.181 2.721 9.136 1.00 73.11 C ATOM 728 OE1 GLU A 48 9.484 2.076 10.162 1.00 73.22 O ATOM 729 OE2 GLU A 48 9.980 3.498 8.571 1.00 24.34 O ATOM 0 H GLU A 48 10.175 1.530 7.598 1.00 41.34 H new ATOM 0 HA GLU A 48 8.333 0.575 5.667 1.00 63.52 H new ATOM 0 HB2 GLU A 48 6.650 1.167 7.336 1.00 51.30 H new ATOM 0 HB3 GLU A 48 8.022 0.432 8.140 1.00 51.30 H new ATOM 0 HG2 GLU A 48 7.514 3.430 7.991 1.00 22.23 H new ATOM 0 HG3 GLU A 48 7.071 2.412 9.347 1.00 22.23 H new ATOM 736 N ARG A 49 8.849 3.780 5.655 1.00 2.30 N ATOM 737 CA ARG A 49 8.509 5.037 4.979 1.00 4.10 C ATOM 738 C ARG A 49 8.877 5.012 3.487 1.00 61.01 C ATOM 739 O ARG A 49 8.612 5.973 2.762 1.00 74.22 O ATOM 740 CB ARG A 49 9.195 6.227 5.661 1.00 13.01 C ATOM 741 CG ARG A 49 8.894 6.350 7.152 1.00 22.32 C ATOM 742 CD ARG A 49 9.291 7.718 7.696 1.00 42.32 C ATOM 743 NE ARG A 49 10.654 8.080 7.318 1.00 30.12 N ATOM 744 CZ ARG A 49 10.958 9.079 6.535 1.00 14.15 C ATOM 745 NH1 ARG A 49 10.038 9.871 6.076 1.00 54.40 N ATOM 746 NH2 ARG A 49 12.192 9.292 6.220 1.00 10.24 N ATOM 0 H ARG A 49 9.701 3.816 6.214 1.00 2.30 H new ATOM 0 HA ARG A 49 7.428 5.151 5.056 1.00 4.10 H new ATOM 0 HB2 ARG A 49 10.273 6.138 5.525 1.00 13.01 H new ATOM 0 HB3 ARG A 49 8.886 7.145 5.162 1.00 13.01 H new ATOM 0 HG2 ARG A 49 7.830 6.185 7.323 1.00 22.32 H new ATOM 0 HG3 ARG A 49 9.429 5.572 7.697 1.00 22.32 H new ATOM 0 HD2 ARG A 49 8.598 8.472 7.322 1.00 42.32 H new ATOM 0 HD3 ARG A 49 9.204 7.716 8.783 1.00 42.32 H new ATOM 0 HE ARG A 49 11.418 7.516 7.690 1.00 30.12 H new ATOM 0 HH11 ARG A 49 9.061 9.717 6.326 1.00 54.40 H new ATOM 0 HH12 ARG A 49 10.292 10.647 5.465 1.00 54.40 H new ATOM 0 HH21 ARG A 49 12.924 8.681 6.583 1.00 10.24 H new ATOM 0 HH22 ARG A 49 12.435 10.071 5.608 1.00 10.24 H new ATOM 760 N CYS A 50 9.485 3.920 3.026 1.00 13.05 N ATOM 761 CA CYS A 50 9.853 3.785 1.609 1.00 11.55 C ATOM 762 C CYS A 50 9.135 2.602 0.943 1.00 74.23 C ATOM 763 O CYS A 50 9.669 1.492 0.876 1.00 11.23 O ATOM 764 CB CYS A 50 11.370 3.623 1.449 1.00 53.35 C ATOM 765 SG CYS A 50 11.911 3.460 -0.270 1.00 35.33 S ATOM 0 H CYS A 50 9.734 3.118 3.605 1.00 13.05 H new ATOM 0 HA CYS A 50 9.536 4.701 1.111 1.00 11.55 H new ATOM 0 HB2 CYS A 50 11.867 4.484 1.896 1.00 53.35 H new ATOM 0 HB3 CYS A 50 11.693 2.744 2.006 1.00 53.35 H new ATOM 0 HG CYS A 50 13.199 3.288 -0.305 1.00 35.33 H new ATOM 771 N PRO A 51 7.903 2.819 0.434 1.00 13.44 N ATOM 772 CA PRO A 51 7.152 1.768 -0.275 1.00 21.54 C ATOM 773 C PRO A 51 7.823 1.377 -1.605 1.00 44.22 C ATOM 774 O PRO A 51 7.609 0.281 -2.129 1.00 54.23 O ATOM 775 CB PRO A 51 5.777 2.411 -0.512 1.00 23.42 C ATOM 776 CG PRO A 51 6.031 3.881 -0.480 1.00 2.44 C ATOM 777 CD PRO A 51 7.145 4.085 0.512 1.00 60.41 C ATOM 0 HA PRO A 51 7.099 0.839 0.293 1.00 21.54 H new ATOM 0 HB2 PRO A 51 5.357 2.103 -1.469 1.00 23.42 H new ATOM 0 HB3 PRO A 51 5.065 2.116 0.259 1.00 23.42 H new ATOM 0 HG2 PRO A 51 6.313 4.250 -1.466 1.00 2.44 H new ATOM 0 HG3 PRO A 51 5.136 4.426 -0.180 1.00 2.44 H new ATOM 0 HD2 PRO A 51 7.765 4.942 0.250 1.00 60.41 H new ATOM 0 HD3 PRO A 51 6.762 4.264 1.517 1.00 60.41 H new ATOM 785 N GLN A 52 8.648 2.285 -2.131 1.00 1.04 N ATOM 786 CA GLN A 52 9.437 2.023 -3.340 1.00 62.53 C ATOM 787 C GLN A 52 10.404 0.851 -3.122 1.00 53.31 C ATOM 788 O GLN A 52 10.467 -0.076 -3.928 1.00 24.23 O ATOM 789 CB GLN A 52 10.227 3.278 -3.736 1.00 63.03 C ATOM 790 CG GLN A 52 9.353 4.465 -4.130 1.00 13.35 C ATOM 791 CD GLN A 52 10.165 5.726 -4.377 1.00 13.44 C ATOM 792 OE1 GLN A 52 11.324 5.669 -4.770 1.00 44.33 O ATOM 793 NE2 GLN A 52 9.563 6.875 -4.148 1.00 20.03 N ATOM 0 H GLN A 52 8.788 3.215 -1.736 1.00 1.04 H new ATOM 0 HA GLN A 52 8.749 1.759 -4.143 1.00 62.53 H new ATOM 0 HB2 GLN A 52 10.865 3.571 -2.902 1.00 63.03 H new ATOM 0 HB3 GLN A 52 10.885 3.032 -4.570 1.00 63.03 H new ATOM 0 HG2 GLN A 52 8.791 4.216 -5.030 1.00 13.35 H new ATOM 0 HG3 GLN A 52 8.625 4.654 -3.341 1.00 13.35 H new ATOM 0 HE21 GLN A 52 8.597 6.888 -3.821 1.00 20.03 H new ATOM 0 HE22 GLN A 52 10.063 7.751 -4.298 1.00 20.03 H new ATOM 802 N SER A 53 11.143 0.897 -2.011 1.00 73.40 N ATOM 803 CA SER A 53 12.103 -0.164 -1.670 1.00 74.13 C ATOM 804 C SER A 53 11.386 -1.501 -1.430 1.00 13.32 C ATOM 805 O SER A 53 11.954 -2.573 -1.639 1.00 22.43 O ATOM 806 CB SER A 53 12.917 0.221 -0.424 1.00 60.00 C ATOM 807 OG SER A 53 13.955 -0.714 -0.173 1.00 13.23 O ATOM 0 H SER A 53 11.098 1.656 -1.331 1.00 73.40 H new ATOM 0 HA SER A 53 12.781 -0.280 -2.515 1.00 74.13 H new ATOM 0 HB2 SER A 53 13.345 1.214 -0.560 1.00 60.00 H new ATOM 0 HB3 SER A 53 12.257 0.274 0.441 1.00 60.00 H new ATOM 0 HG SER A 53 14.455 -0.441 0.624 1.00 13.23 H new ATOM 813 N VAL A 54 10.130 -1.419 -0.991 1.00 65.21 N ATOM 814 CA VAL A 54 9.285 -2.602 -0.782 1.00 63.41 C ATOM 815 C VAL A 54 8.892 -3.260 -2.119 1.00 4.43 C ATOM 816 O VAL A 54 8.835 -4.487 -2.231 1.00 14.41 O ATOM 817 CB VAL A 54 7.996 -2.223 -0.002 1.00 43.11 C ATOM 818 CG1 VAL A 54 7.054 -3.420 0.141 1.00 22.23 C ATOM 819 CG2 VAL A 54 8.351 -1.644 1.368 1.00 4.10 C ATOM 0 H VAL A 54 9.668 -0.537 -0.770 1.00 65.21 H new ATOM 0 HA VAL A 54 9.869 -3.315 -0.200 1.00 63.41 H new ATOM 0 HB VAL A 54 7.470 -1.460 -0.576 1.00 43.11 H new ATOM 0 HG11 VAL A 54 6.163 -3.118 0.692 1.00 22.23 H new ATOM 0 HG12 VAL A 54 6.766 -3.776 -0.848 1.00 22.23 H new ATOM 0 HG13 VAL A 54 7.561 -4.219 0.681 1.00 22.23 H new ATOM 0 HG21 VAL A 54 7.437 -1.384 1.901 1.00 4.10 H new ATOM 0 HG22 VAL A 54 8.908 -2.384 1.943 1.00 4.10 H new ATOM 0 HG23 VAL A 54 8.962 -0.751 1.238 1.00 4.10 H new ATOM 829 N GLY A 55 8.628 -2.436 -3.131 1.00 71.33 N ATOM 830 CA GLY A 55 8.225 -2.950 -4.436 1.00 52.45 C ATOM 831 C GLY A 55 6.742 -3.314 -4.502 1.00 63.42 C ATOM 832 O GLY A 55 5.928 -2.548 -5.028 1.00 15.32 O ATOM 0 H GLY A 55 8.685 -1.419 -3.073 1.00 71.33 H new ATOM 0 HA2 GLY A 55 8.444 -2.202 -5.198 1.00 52.45 H new ATOM 0 HA3 GLY A 55 8.821 -3.831 -4.673 1.00 52.45 H new ATOM 836 N TRP A 56 6.389 -4.484 -3.971 1.00 52.11 N ATOM 837 CA TRP A 56 4.992 -4.946 -3.947 1.00 21.22 C ATOM 838 C TRP A 56 4.519 -5.193 -2.505 1.00 55.30 C ATOM 839 O TRP A 56 5.127 -5.970 -1.768 1.00 43.12 O ATOM 840 CB TRP A 56 4.832 -6.239 -4.766 1.00 55.43 C ATOM 841 CG TRP A 56 5.222 -6.107 -6.214 1.00 64.41 C ATOM 842 CD1 TRP A 56 4.923 -5.076 -7.060 1.00 1.24 C ATOM 843 CD2 TRP A 56 5.960 -7.060 -6.991 1.00 43.10 C ATOM 844 NE1 TRP A 56 5.446 -5.322 -8.307 1.00 11.15 N ATOM 845 CE2 TRP A 56 6.083 -6.534 -8.290 1.00 23.33 C ATOM 846 CE3 TRP A 56 6.534 -8.306 -6.710 1.00 33.13 C ATOM 847 CZ2 TRP A 56 6.755 -7.210 -9.306 1.00 43.45 C ATOM 848 CZ3 TRP A 56 7.199 -8.976 -7.720 1.00 25.32 C ATOM 849 CH2 TRP A 56 7.305 -8.426 -9.005 1.00 23.11 C ATOM 0 H TRP A 56 7.051 -5.135 -3.549 1.00 52.11 H new ATOM 0 HA TRP A 56 4.378 -4.162 -4.391 1.00 21.22 H new ATOM 0 HB2 TRP A 56 5.437 -7.022 -4.309 1.00 55.43 H new ATOM 0 HB3 TRP A 56 3.793 -6.565 -4.710 1.00 55.43 H new ATOM 0 HD1 TRP A 56 4.358 -4.196 -6.788 1.00 1.24 H new ATOM 0 HE1 TRP A 56 5.372 -4.702 -9.114 1.00 11.15 H new ATOM 0 HE3 TRP A 56 6.459 -8.736 -5.722 1.00 33.13 H new ATOM 0 HZ2 TRP A 56 6.839 -6.789 -10.297 1.00 43.45 H new ATOM 0 HZ3 TRP A 56 7.644 -9.939 -7.516 1.00 25.32 H new ATOM 0 HH2 TRP A 56 7.831 -8.973 -9.773 1.00 23.11 H new ATOM 860 N MET A 57 3.429 -4.538 -2.110 1.00 35.34 N ATOM 861 CA MET A 57 2.880 -4.687 -0.752 1.00 61.13 C ATOM 862 C MET A 57 1.348 -4.831 -0.777 1.00 13.10 C ATOM 863 O MET A 57 0.682 -4.291 -1.658 1.00 35.13 O ATOM 864 CB MET A 57 3.280 -3.487 0.125 1.00 41.41 C ATOM 865 CG MET A 57 3.014 -2.133 -0.516 1.00 11.54 C ATOM 866 SD MET A 57 3.005 -0.776 0.675 1.00 72.11 S ATOM 867 CE MET A 57 4.617 -0.953 1.433 1.00 44.31 C ATOM 0 H MET A 57 2.905 -3.898 -2.706 1.00 35.34 H new ATOM 0 HA MET A 57 3.300 -5.598 -0.325 1.00 61.13 H new ATOM 0 HB2 MET A 57 2.737 -3.543 1.068 1.00 41.41 H new ATOM 0 HB3 MET A 57 4.341 -3.562 0.363 1.00 41.41 H new ATOM 0 HG2 MET A 57 3.775 -1.940 -1.272 1.00 11.54 H new ATOM 0 HG3 MET A 57 2.054 -2.164 -1.031 1.00 11.54 H new ATOM 0 HE1 MET A 57 4.801 -0.110 2.099 1.00 44.31 H new ATOM 0 HE2 MET A 57 4.651 -1.881 2.004 1.00 44.31 H new ATOM 0 HE3 MET A 57 5.383 -0.977 0.658 1.00 44.31 H new ATOM 877 N PRO A 58 0.772 -5.592 0.178 1.00 12.03 N ATOM 878 CA PRO A 58 -0.683 -5.723 0.319 1.00 50.22 C ATOM 879 C PRO A 58 -1.297 -4.631 1.218 1.00 74.13 C ATOM 880 O PRO A 58 -0.723 -4.262 2.244 1.00 24.01 O ATOM 881 CB PRO A 58 -0.821 -7.100 0.970 1.00 42.23 C ATOM 882 CG PRO A 58 0.392 -7.229 1.838 1.00 0.32 C ATOM 883 CD PRO A 58 1.487 -6.411 1.182 1.00 2.23 C ATOM 0 HA PRO A 58 -1.207 -5.616 -0.631 1.00 50.22 H new ATOM 0 HB2 PRO A 58 -1.737 -7.172 1.556 1.00 42.23 H new ATOM 0 HB3 PRO A 58 -0.859 -7.891 0.221 1.00 42.23 H new ATOM 0 HG2 PRO A 58 0.188 -6.865 2.845 1.00 0.32 H new ATOM 0 HG3 PRO A 58 0.692 -8.273 1.931 1.00 0.32 H new ATOM 0 HD2 PRO A 58 2.008 -5.787 1.908 1.00 2.23 H new ATOM 0 HD3 PRO A 58 2.237 -7.050 0.715 1.00 2.23 H new ATOM 891 N GLY A 59 -2.470 -4.125 0.838 1.00 10.13 N ATOM 892 CA GLY A 59 -3.105 -3.059 1.613 1.00 31.23 C ATOM 893 C GLY A 59 -4.630 -3.109 1.605 1.00 62.54 C ATOM 894 O GLY A 59 -5.233 -4.062 1.107 1.00 54.25 O ATOM 0 H GLY A 59 -2.991 -4.428 0.015 1.00 10.13 H new ATOM 0 HA2 GLY A 59 -2.755 -3.116 2.644 1.00 31.23 H new ATOM 0 HA3 GLY A 59 -2.781 -2.096 1.219 1.00 31.23 H new ATOM 898 N LEU A 60 -5.246 -2.073 2.171 1.00 53.45 N ATOM 899 CA LEU A 60 -6.708 -1.969 2.251 1.00 3.34 C ATOM 900 C LEU A 60 -7.193 -0.577 1.813 1.00 4.24 C ATOM 901 O LEU A 60 -6.989 0.409 2.522 1.00 53.05 O ATOM 902 CB LEU A 60 -7.168 -2.256 3.692 1.00 22.44 C ATOM 903 CG LEU A 60 -8.679 -2.101 3.959 1.00 62.22 C ATOM 904 CD1 LEU A 60 -9.488 -3.106 3.142 1.00 34.05 C ATOM 905 CD2 LEU A 60 -8.981 -2.246 5.450 1.00 71.41 C ATOM 0 H LEU A 60 -4.752 -1.283 2.586 1.00 53.45 H new ATOM 0 HA LEU A 60 -7.142 -2.705 1.574 1.00 3.34 H new ATOM 0 HB2 LEU A 60 -6.875 -3.274 3.951 1.00 22.44 H new ATOM 0 HB3 LEU A 60 -6.629 -1.589 4.365 1.00 22.44 H new ATOM 0 HG LEU A 60 -8.975 -1.100 3.645 1.00 62.22 H new ATOM 0 HD11 LEU A 60 -10.550 -2.974 3.350 1.00 34.05 H new ATOM 0 HD12 LEU A 60 -9.304 -2.944 2.080 1.00 34.05 H new ATOM 0 HD13 LEU A 60 -9.189 -4.119 3.412 1.00 34.05 H new ATOM 0 HD21 LEU A 60 -10.052 -2.133 5.617 1.00 71.41 H new ATOM 0 HD22 LEU A 60 -8.662 -3.231 5.792 1.00 71.41 H new ATOM 0 HD23 LEU A 60 -8.444 -1.477 6.006 1.00 71.41 H new ATOM 917 N ASN A 61 -7.828 -0.500 0.642 1.00 65.23 N ATOM 918 CA ASN A 61 -8.403 0.762 0.152 1.00 32.12 C ATOM 919 C ASN A 61 -9.750 1.057 0.826 1.00 71.33 C ATOM 920 O ASN A 61 -10.641 0.206 0.856 1.00 63.15 O ATOM 921 CB ASN A 61 -8.588 0.717 -1.373 1.00 40.34 C ATOM 922 CG ASN A 61 -7.302 0.978 -2.128 1.00 71.31 C ATOM 923 OD1 ASN A 61 -6.537 0.075 -2.411 1.00 33.41 O ATOM 924 ND2 ASN A 61 -7.064 2.223 -2.474 1.00 63.42 N ATOM 0 H ASN A 61 -7.959 -1.293 0.014 1.00 65.23 H new ATOM 0 HA ASN A 61 -7.706 1.561 0.405 1.00 32.12 H new ATOM 0 HB2 ASN A 61 -8.980 -0.259 -1.658 1.00 40.34 H new ATOM 0 HB3 ASN A 61 -9.333 1.457 -1.666 1.00 40.34 H new ATOM 0 HD21 ASN A 61 -6.218 2.455 -2.995 1.00 63.42 H new ATOM 0 HD22 ASN A 61 -7.725 2.958 -2.222 1.00 63.42 H new ATOM 931 N GLU A 62 -9.902 2.268 1.357 1.00 31.04 N ATOM 932 CA GLU A 62 -11.148 2.658 2.025 1.00 34.14 C ATOM 933 C GLU A 62 -12.332 2.752 1.039 1.00 22.43 C ATOM 934 O GLU A 62 -13.490 2.645 1.445 1.00 3.13 O ATOM 935 CB GLU A 62 -10.968 3.975 2.800 1.00 52.01 C ATOM 936 CG GLU A 62 -10.006 3.858 3.985 1.00 52.12 C ATOM 937 CD GLU A 62 -10.113 5.021 4.963 1.00 34.20 C ATOM 938 OE1 GLU A 62 -9.431 6.047 4.762 1.00 2.11 O ATOM 939 OE2 GLU A 62 -10.886 4.913 5.943 1.00 41.31 O ATOM 0 H GLU A 62 -9.185 2.994 1.340 1.00 31.04 H new ATOM 0 HA GLU A 62 -11.389 1.871 2.739 1.00 34.14 H new ATOM 0 HB2 GLU A 62 -10.601 4.742 2.118 1.00 52.01 H new ATOM 0 HB3 GLU A 62 -11.940 4.310 3.163 1.00 52.01 H new ATOM 0 HG2 GLU A 62 -10.205 2.927 4.515 1.00 52.12 H new ATOM 0 HG3 GLU A 62 -8.984 3.800 3.610 1.00 52.12 H new ATOM 946 N ARG A 63 -12.045 2.955 -0.251 1.00 53.31 N ATOM 947 CA ARG A 63 -13.096 2.922 -1.286 1.00 63.43 C ATOM 948 C ARG A 63 -13.543 1.484 -1.601 1.00 13.31 C ATOM 949 O ARG A 63 -14.730 1.162 -1.547 1.00 25.21 O ATOM 950 CB ARG A 63 -12.616 3.590 -2.585 1.00 33.02 C ATOM 951 CG ARG A 63 -12.540 5.113 -2.526 1.00 40.13 C ATOM 952 CD ARG A 63 -12.272 5.708 -3.908 1.00 10.21 C ATOM 953 NE ARG A 63 -12.329 7.168 -3.911 1.00 72.43 N ATOM 954 CZ ARG A 63 -12.544 7.891 -4.980 1.00 22.44 C ATOM 955 NH1 ARG A 63 -12.729 7.328 -6.133 1.00 50.24 N ATOM 956 NH2 ARG A 63 -12.574 9.182 -4.893 1.00 13.14 N ATOM 0 H ARG A 63 -11.107 3.142 -0.605 1.00 53.31 H new ATOM 0 HA ARG A 63 -13.945 3.475 -0.883 1.00 63.43 H new ATOM 0 HB2 ARG A 63 -11.630 3.200 -2.836 1.00 33.02 H new ATOM 0 HB3 ARG A 63 -13.287 3.304 -3.395 1.00 33.02 H new ATOM 0 HG2 ARG A 63 -13.475 5.511 -2.131 1.00 40.13 H new ATOM 0 HG3 ARG A 63 -11.750 5.414 -1.838 1.00 40.13 H new ATOM 0 HD2 ARG A 63 -11.290 5.386 -4.254 1.00 10.21 H new ATOM 0 HD3 ARG A 63 -13.003 5.318 -4.616 1.00 10.21 H new ATOM 0 HE ARG A 63 -12.193 7.654 -3.025 1.00 72.43 H new ATOM 0 HH11 ARG A 63 -12.708 6.311 -6.213 1.00 50.24 H new ATOM 0 HH12 ARG A 63 -12.896 7.902 -6.960 1.00 50.24 H new ATOM 0 HH21 ARG A 63 -12.430 9.636 -3.991 1.00 13.14 H new ATOM 0 HH22 ARG A 63 -12.742 9.746 -5.726 1.00 13.14 H new ATOM 970 N THR A 64 -12.579 0.624 -1.926 1.00 74.54 N ATOM 971 CA THR A 64 -12.877 -0.752 -2.354 1.00 21.41 C ATOM 972 C THR A 64 -13.443 -1.607 -1.217 1.00 61.22 C ATOM 973 O THR A 64 -14.158 -2.577 -1.466 1.00 30.53 O ATOM 974 CB THR A 64 -11.617 -1.466 -2.895 1.00 74.33 C ATOM 975 OG1 THR A 64 -10.672 -1.660 -1.832 1.00 0.32 O ATOM 976 CG2 THR A 64 -10.965 -0.667 -4.021 1.00 12.43 C ATOM 0 H THR A 64 -11.585 0.850 -1.903 1.00 74.54 H new ATOM 0 HA THR A 64 -13.624 -0.654 -3.142 1.00 21.41 H new ATOM 0 HB THR A 64 -11.924 -2.432 -3.296 1.00 74.33 H new ATOM 0 HG1 THR A 64 -10.146 -2.468 -2.005 1.00 0.32 H new ATOM 0 HG21 THR A 64 -10.082 -1.197 -4.379 1.00 12.43 H new ATOM 0 HG22 THR A 64 -11.674 -0.548 -4.840 1.00 12.43 H new ATOM 0 HG23 THR A 64 -10.673 0.315 -3.649 1.00 12.43 H new ATOM 984 N ARG A 65 -13.096 -1.255 0.027 1.00 51.41 N ATOM 985 CA ARG A 65 -13.493 -2.035 1.215 1.00 31.33 C ATOM 986 C ARG A 65 -12.853 -3.436 1.203 1.00 62.11 C ATOM 987 O ARG A 65 -13.192 -4.299 2.018 1.00 45.41 O ATOM 988 CB ARG A 65 -15.029 -2.154 1.304 1.00 65.45 C ATOM 989 CG ARG A 65 -15.763 -0.812 1.350 1.00 0.02 C ATOM 990 CD ARG A 65 -15.444 -0.023 2.615 1.00 64.34 C ATOM 991 NE ARG A 65 -15.881 -0.715 3.829 1.00 20.15 N ATOM 992 CZ ARG A 65 -16.124 -0.119 4.966 1.00 43.22 C ATOM 993 NH1 ARG A 65 -16.019 1.167 5.076 1.00 45.15 N ATOM 994 NH2 ARG A 65 -16.487 -0.813 5.992 1.00 2.14 N ATOM 0 H ARG A 65 -12.537 -0.429 0.242 1.00 51.41 H new ATOM 0 HA ARG A 65 -13.131 -1.502 2.094 1.00 31.33 H new ATOM 0 HB2 ARG A 65 -15.388 -2.722 0.446 1.00 65.45 H new ATOM 0 HB3 ARG A 65 -15.286 -2.726 2.195 1.00 65.45 H new ATOM 0 HG2 ARG A 65 -15.489 -0.220 0.476 1.00 0.02 H new ATOM 0 HG3 ARG A 65 -16.838 -0.986 1.294 1.00 0.02 H new ATOM 0 HD2 ARG A 65 -14.370 0.155 2.668 1.00 64.34 H new ATOM 0 HD3 ARG A 65 -15.926 0.953 2.563 1.00 64.34 H new ATOM 0 HE ARG A 65 -16.004 -1.727 3.784 1.00 20.15 H new ATOM 0 HH11 ARG A 65 -15.744 1.727 4.269 1.00 45.15 H new ATOM 0 HH12 ARG A 65 -16.212 1.620 5.969 1.00 45.15 H new ATOM 0 HH21 ARG A 65 -16.584 -1.825 5.915 1.00 2.14 H new ATOM 0 HH22 ARG A 65 -16.677 -0.349 6.880 1.00 2.14 H new ATOM 1008 N GLN A 66 -11.905 -3.644 0.289 1.00 34.34 N ATOM 1009 CA GLN A 66 -11.277 -4.957 0.093 1.00 21.00 C ATOM 1010 C GLN A 66 -9.746 -4.869 0.151 1.00 24.12 C ATOM 1011 O GLN A 66 -9.162 -3.798 -0.030 1.00 63.35 O ATOM 1012 CB GLN A 66 -11.702 -5.553 -1.259 1.00 73.51 C ATOM 1013 CG GLN A 66 -13.192 -5.858 -1.364 1.00 2.02 C ATOM 1014 CD GLN A 66 -13.648 -6.939 -0.396 1.00 34.13 C ATOM 1015 OE1 GLN A 66 -12.896 -7.847 -0.055 1.00 55.35 O ATOM 1016 NE2 GLN A 66 -14.883 -6.851 0.052 1.00 55.40 N ATOM 0 H GLN A 66 -11.551 -2.917 -0.333 1.00 34.34 H new ATOM 0 HA GLN A 66 -11.613 -5.603 0.904 1.00 21.00 H new ATOM 0 HB2 GLN A 66 -11.428 -4.858 -2.053 1.00 73.51 H new ATOM 0 HB3 GLN A 66 -11.141 -6.472 -1.431 1.00 73.51 H new ATOM 0 HG2 GLN A 66 -13.758 -4.946 -1.174 1.00 2.02 H new ATOM 0 HG3 GLN A 66 -13.422 -6.170 -2.383 1.00 2.02 H new ATOM 0 HE21 GLN A 66 -15.482 -6.083 -0.251 1.00 55.40 H new ATOM 0 HE22 GLN A 66 -15.241 -7.551 0.703 1.00 55.40 H new ATOM 1025 N ARG A 67 -9.111 -6.016 0.384 1.00 21.22 N ATOM 1026 CA ARG A 67 -7.649 -6.120 0.427 1.00 51.42 C ATOM 1027 C ARG A 67 -7.080 -6.465 -0.960 1.00 53.43 C ATOM 1028 O ARG A 67 -7.828 -6.671 -1.920 1.00 55.41 O ATOM 1029 CB ARG A 67 -7.231 -7.208 1.432 1.00 63.10 C ATOM 1030 CG ARG A 67 -7.582 -6.893 2.886 1.00 70.12 C ATOM 1031 CD ARG A 67 -7.269 -8.070 3.811 1.00 3.13 C ATOM 1032 NE ARG A 67 -5.890 -8.544 3.661 1.00 51.12 N ATOM 1033 CZ ARG A 67 -5.361 -9.522 4.354 1.00 54.23 C ATOM 1034 NH1 ARG A 67 -6.039 -10.135 5.271 1.00 61.11 N ATOM 1035 NH2 ARG A 67 -4.146 -9.886 4.117 1.00 51.32 N ATOM 0 H ARG A 67 -9.592 -6.900 0.548 1.00 21.22 H new ATOM 0 HA ARG A 67 -7.250 -5.155 0.739 1.00 51.42 H new ATOM 0 HB2 ARG A 67 -7.708 -8.147 1.151 1.00 63.10 H new ATOM 0 HB3 ARG A 67 -6.155 -7.362 1.356 1.00 63.10 H new ATOM 0 HG2 ARG A 67 -7.025 -6.015 3.213 1.00 70.12 H new ATOM 0 HG3 ARG A 67 -8.641 -6.644 2.959 1.00 70.12 H new ATOM 0 HD2 ARG A 67 -7.438 -7.771 4.846 1.00 3.13 H new ATOM 0 HD3 ARG A 67 -7.957 -8.888 3.600 1.00 3.13 H new ATOM 0 HE ARG A 67 -5.301 -8.080 2.969 1.00 51.12 H new ATOM 0 HH11 ARG A 67 -7.002 -9.859 5.464 1.00 61.11 H new ATOM 0 HH12 ARG A 67 -5.610 -10.894 5.800 1.00 61.11 H new ATOM 0 HH21 ARG A 67 -3.604 -9.413 3.394 1.00 51.32 H new ATOM 0 HH22 ARG A 67 -3.728 -10.647 4.653 1.00 51.32 H new ATOM 1049 N GLY A 68 -5.755 -6.521 -1.055 1.00 1.21 N ATOM 1050 CA GLY A 68 -5.105 -6.899 -2.304 1.00 24.41 C ATOM 1051 C GLY A 68 -3.653 -6.440 -2.383 1.00 43.51 C ATOM 1052 O GLY A 68 -3.199 -5.645 -1.557 1.00 41.42 O ATOM 0 H GLY A 68 -5.115 -6.311 -0.289 1.00 1.21 H new ATOM 0 HA2 GLY A 68 -5.144 -7.983 -2.414 1.00 24.41 H new ATOM 0 HA3 GLY A 68 -5.661 -6.474 -3.140 1.00 24.41 H new ATOM 1056 N ASP A 69 -2.927 -6.946 -3.375 1.00 51.21 N ATOM 1057 CA ASP A 69 -1.511 -6.611 -3.558 1.00 30.02 C ATOM 1058 C ASP A 69 -1.329 -5.495 -4.602 1.00 55.45 C ATOM 1059 O ASP A 69 -1.829 -5.598 -5.726 1.00 61.34 O ATOM 1060 CB ASP A 69 -0.743 -7.863 -3.988 1.00 21.24 C ATOM 1061 CG ASP A 69 -0.994 -9.034 -3.055 1.00 52.53 C ATOM 1062 OD1 ASP A 69 -0.307 -9.135 -2.018 1.00 73.11 O ATOM 1063 OD2 ASP A 69 -1.891 -9.853 -3.350 1.00 34.43 O ATOM 0 H ASP A 69 -3.295 -7.594 -4.071 1.00 51.21 H new ATOM 0 HA ASP A 69 -1.118 -6.246 -2.609 1.00 30.02 H new ATOM 0 HB2 ASP A 69 -1.036 -8.138 -5.001 1.00 21.24 H new ATOM 0 HB3 ASP A 69 0.324 -7.642 -4.014 1.00 21.24 H new ATOM 1068 N PHE A 70 -0.606 -4.439 -4.231 1.00 44.14 N ATOM 1069 CA PHE A 70 -0.382 -3.296 -5.126 1.00 61.41 C ATOM 1070 C PHE A 70 1.104 -2.873 -5.140 1.00 22.24 C ATOM 1071 O PHE A 70 1.847 -3.149 -4.193 1.00 63.25 O ATOM 1072 CB PHE A 70 -1.264 -2.110 -4.695 1.00 64.55 C ATOM 1073 CG PHE A 70 -0.908 -1.536 -3.343 1.00 31.54 C ATOM 1074 CD1 PHE A 70 -1.408 -2.100 -2.178 1.00 64.24 C ATOM 1075 CD2 PHE A 70 -0.071 -0.431 -3.238 1.00 14.41 C ATOM 1076 CE1 PHE A 70 -1.081 -1.577 -0.941 1.00 73.40 C ATOM 1077 CE2 PHE A 70 0.257 0.094 -2.004 1.00 31.31 C ATOM 1078 CZ PHE A 70 -0.248 -0.479 -0.854 1.00 3.22 C ATOM 0 H PHE A 70 -0.163 -4.348 -3.317 1.00 44.14 H new ATOM 0 HA PHE A 70 -0.653 -3.601 -6.137 1.00 61.41 H new ATOM 0 HB2 PHE A 70 -1.186 -1.322 -5.444 1.00 64.55 H new ATOM 0 HB3 PHE A 70 -2.305 -2.432 -4.678 1.00 64.55 H new ATOM 0 HD1 PHE A 70 -2.061 -2.958 -2.238 1.00 64.24 H new ATOM 0 HD2 PHE A 70 0.328 0.023 -4.133 1.00 14.41 H new ATOM 0 HE1 PHE A 70 -1.477 -2.027 -0.043 1.00 73.40 H new ATOM 0 HE2 PHE A 70 0.909 0.953 -1.938 1.00 31.31 H new ATOM 0 HZ PHE A 70 0.008 -0.069 0.112 1.00 3.22 H new ATOM 1088 N PRO A 71 1.562 -2.206 -6.224 1.00 5.41 N ATOM 1089 CA PRO A 71 2.931 -1.670 -6.302 1.00 32.42 C ATOM 1090 C PRO A 71 3.121 -0.409 -5.435 1.00 22.34 C ATOM 1091 O PRO A 71 2.449 0.608 -5.631 1.00 74.03 O ATOM 1092 CB PRO A 71 3.095 -1.342 -7.793 1.00 2.12 C ATOM 1093 CG PRO A 71 1.712 -1.045 -8.263 1.00 2.43 C ATOM 1094 CD PRO A 71 0.795 -1.938 -7.458 1.00 40.31 C ATOM 0 HA PRO A 71 3.671 -2.376 -5.926 1.00 32.42 H new ATOM 0 HB2 PRO A 71 3.757 -0.489 -7.941 1.00 2.12 H new ATOM 0 HB3 PRO A 71 3.528 -2.180 -8.339 1.00 2.12 H new ATOM 0 HG2 PRO A 71 1.466 0.006 -8.110 1.00 2.43 H new ATOM 0 HG3 PRO A 71 1.612 -1.244 -9.330 1.00 2.43 H new ATOM 0 HD2 PRO A 71 -0.153 -1.447 -7.241 1.00 40.31 H new ATOM 0 HD3 PRO A 71 0.562 -2.859 -7.993 1.00 40.31 H new ATOM 1102 N GLY A 72 4.054 -0.477 -4.487 1.00 24.14 N ATOM 1103 CA GLY A 72 4.285 0.634 -3.565 1.00 51.45 C ATOM 1104 C GLY A 72 4.913 1.867 -4.219 1.00 51.22 C ATOM 1105 O GLY A 72 5.179 2.863 -3.549 1.00 70.05 O ATOM 0 H GLY A 72 4.659 -1.284 -4.337 1.00 24.14 H new ATOM 0 HA2 GLY A 72 3.336 0.920 -3.112 1.00 51.45 H new ATOM 0 HA3 GLY A 72 4.934 0.294 -2.758 1.00 51.45 H new ATOM 1109 N THR A 73 5.145 1.806 -5.525 1.00 63.11 N ATOM 1110 CA THR A 73 5.745 2.923 -6.264 1.00 41.15 C ATOM 1111 C THR A 73 4.754 4.073 -6.486 1.00 23.44 C ATOM 1112 O THR A 73 5.156 5.194 -6.796 1.00 54.20 O ATOM 1113 CB THR A 73 6.278 2.459 -7.640 1.00 62.12 C ATOM 1114 OG1 THR A 73 5.213 1.874 -8.406 1.00 44.43 O ATOM 1115 CG2 THR A 73 7.405 1.443 -7.475 1.00 23.32 C ATOM 0 H THR A 73 4.927 0.993 -6.101 1.00 63.11 H new ATOM 0 HA THR A 73 6.569 3.284 -5.648 1.00 41.15 H new ATOM 0 HB THR A 73 6.670 3.331 -8.164 1.00 62.12 H new ATOM 0 HG1 THR A 73 4.528 2.552 -8.584 1.00 44.43 H new ATOM 0 HG21 THR A 73 7.762 1.133 -8.457 1.00 23.32 H new ATOM 0 HG22 THR A 73 8.225 1.896 -6.917 1.00 23.32 H new ATOM 0 HG23 THR A 73 7.034 0.573 -6.932 1.00 23.32 H new ATOM 1123 N TYR A 74 3.460 3.795 -6.331 1.00 51.43 N ATOM 1124 CA TYR A 74 2.416 4.804 -6.572 1.00 73.22 C ATOM 1125 C TYR A 74 1.752 5.298 -5.276 1.00 74.02 C ATOM 1126 O TYR A 74 0.674 5.891 -5.321 1.00 24.33 O ATOM 1127 CB TYR A 74 1.345 4.238 -7.516 1.00 22.54 C ATOM 1128 CG TYR A 74 1.839 3.997 -8.930 1.00 5.05 C ATOM 1129 CD1 TYR A 74 1.896 5.039 -9.850 1.00 2.35 C ATOM 1130 CD2 TYR A 74 2.257 2.737 -9.341 1.00 62.11 C ATOM 1131 CE1 TYR A 74 2.348 4.830 -11.139 1.00 33.01 C ATOM 1132 CE2 TYR A 74 2.712 2.520 -10.628 1.00 21.33 C ATOM 1133 CZ TYR A 74 2.757 3.570 -11.521 1.00 73.44 C ATOM 1134 OH TYR A 74 3.211 3.358 -12.805 1.00 72.52 O ATOM 0 H TYR A 74 3.105 2.884 -6.041 1.00 51.43 H new ATOM 0 HA TYR A 74 2.907 5.662 -7.031 1.00 73.22 H new ATOM 0 HB2 TYR A 74 0.973 3.299 -7.106 1.00 22.54 H new ATOM 0 HB3 TYR A 74 0.502 4.928 -7.549 1.00 22.54 H new ATOM 0 HD1 TYR A 74 1.582 6.028 -9.552 1.00 2.35 H new ATOM 0 HD2 TYR A 74 2.226 1.913 -8.643 1.00 62.11 H new ATOM 0 HE1 TYR A 74 2.381 5.649 -11.843 1.00 33.01 H new ATOM 0 HE2 TYR A 74 3.030 1.534 -10.933 1.00 21.33 H new ATOM 0 HH TYR A 74 3.461 2.417 -12.912 1.00 72.52 H new ATOM 1144 N VAL A 75 2.387 5.071 -4.127 1.00 51.03 N ATOM 1145 CA VAL A 75 1.833 5.519 -2.839 1.00 45.41 C ATOM 1146 C VAL A 75 2.879 6.256 -1.983 1.00 24.55 C ATOM 1147 O VAL A 75 4.076 5.972 -2.060 1.00 0.03 O ATOM 1148 CB VAL A 75 1.253 4.337 -2.015 1.00 33.11 C ATOM 1149 CG1 VAL A 75 0.077 3.684 -2.739 1.00 43.53 C ATOM 1150 CG2 VAL A 75 2.336 3.306 -1.699 1.00 23.31 C ATOM 0 H VAL A 75 3.280 4.583 -4.056 1.00 51.03 H new ATOM 0 HA VAL A 75 1.028 6.211 -3.088 1.00 45.41 H new ATOM 0 HB VAL A 75 0.884 4.740 -1.072 1.00 33.11 H new ATOM 0 HG11 VAL A 75 -0.308 2.860 -2.138 1.00 43.53 H new ATOM 0 HG12 VAL A 75 -0.711 4.421 -2.891 1.00 43.53 H new ATOM 0 HG13 VAL A 75 0.410 3.304 -3.705 1.00 43.53 H new ATOM 0 HG21 VAL A 75 1.903 2.489 -1.121 1.00 23.31 H new ATOM 0 HG22 VAL A 75 2.748 2.914 -2.629 1.00 23.31 H new ATOM 0 HG23 VAL A 75 3.130 3.778 -1.121 1.00 23.31 H new ATOM 1160 N GLU A 76 2.414 7.216 -1.181 1.00 11.44 N ATOM 1161 CA GLU A 76 3.280 7.945 -0.241 1.00 65.10 C ATOM 1162 C GLU A 76 2.981 7.535 1.211 1.00 41.42 C ATOM 1163 O GLU A 76 1.855 7.165 1.545 1.00 24.34 O ATOM 1164 CB GLU A 76 3.085 9.464 -0.393 1.00 24.34 C ATOM 1165 CG GLU A 76 1.664 9.934 -0.082 1.00 24.10 C ATOM 1166 CD GLU A 76 1.518 11.451 -0.073 1.00 12.44 C ATOM 1167 OE1 GLU A 76 1.428 12.055 -1.163 1.00 71.35 O ATOM 1168 OE2 GLU A 76 1.473 12.044 1.026 1.00 4.11 O ATOM 0 H GLU A 76 1.438 7.511 -1.161 1.00 11.44 H new ATOM 0 HA GLU A 76 4.313 7.689 -0.475 1.00 65.10 H new ATOM 0 HB2 GLU A 76 3.782 9.979 0.268 1.00 24.34 H new ATOM 0 HB3 GLU A 76 3.340 9.754 -1.412 1.00 24.34 H new ATOM 0 HG2 GLU A 76 0.981 9.515 -0.820 1.00 24.10 H new ATOM 0 HG3 GLU A 76 1.364 9.541 0.889 1.00 24.10 H new ATOM 1175 N PHE A 77 3.988 7.614 2.077 1.00 24.01 N ATOM 1176 CA PHE A 77 3.811 7.276 3.494 1.00 44.54 C ATOM 1177 C PHE A 77 3.208 8.453 4.279 1.00 44.23 C ATOM 1178 O PHE A 77 3.832 9.509 4.413 1.00 11.54 O ATOM 1179 CB PHE A 77 5.151 6.862 4.112 1.00 53.33 C ATOM 1180 CG PHE A 77 5.083 6.583 5.596 1.00 15.00 C ATOM 1181 CD1 PHE A 77 4.577 5.380 6.071 1.00 44.50 C ATOM 1182 CD2 PHE A 77 5.527 7.525 6.517 1.00 34.41 C ATOM 1183 CE1 PHE A 77 4.520 5.127 7.427 1.00 14.42 C ATOM 1184 CE2 PHE A 77 5.470 7.271 7.873 1.00 65.21 C ATOM 1185 CZ PHE A 77 4.968 6.071 8.328 1.00 60.54 C ATOM 0 H PHE A 77 4.933 7.907 1.828 1.00 24.01 H new ATOM 0 HA PHE A 77 3.115 6.439 3.554 1.00 44.54 H new ATOM 0 HB2 PHE A 77 5.515 5.970 3.601 1.00 53.33 H new ATOM 0 HB3 PHE A 77 5.881 7.652 3.934 1.00 53.33 H new ATOM 0 HD1 PHE A 77 4.225 4.635 5.373 1.00 44.50 H new ATOM 0 HD2 PHE A 77 5.922 8.468 6.167 1.00 34.41 H new ATOM 0 HE1 PHE A 77 4.124 4.188 7.783 1.00 14.42 H new ATOM 0 HE2 PHE A 77 5.819 8.012 8.577 1.00 65.21 H new ATOM 0 HZ PHE A 77 4.925 5.870 9.388 1.00 60.54 H new ATOM 1195 N LEU A 78 1.997 8.260 4.795 1.00 40.40 N ATOM 1196 CA LEU A 78 1.316 9.282 5.599 1.00 71.11 C ATOM 1197 C LEU A 78 1.775 9.242 7.066 1.00 30.23 C ATOM 1198 O LEU A 78 2.291 10.228 7.595 1.00 13.44 O ATOM 1199 CB LEU A 78 -0.206 9.088 5.528 1.00 41.35 C ATOM 1200 CG LEU A 78 -0.815 9.185 4.121 1.00 24.01 C ATOM 1201 CD1 LEU A 78 -2.315 8.910 4.163 1.00 63.34 C ATOM 1202 CD2 LEU A 78 -0.536 10.554 3.497 1.00 12.30 C ATOM 0 H LEU A 78 1.461 7.401 4.672 1.00 40.40 H new ATOM 0 HA LEU A 78 1.578 10.256 5.186 1.00 71.11 H new ATOM 0 HB2 LEU A 78 -0.451 8.111 5.946 1.00 41.35 H new ATOM 0 HB3 LEU A 78 -0.681 9.835 6.164 1.00 41.35 H new ATOM 0 HG LEU A 78 -0.344 8.426 3.497 1.00 24.01 H new ATOM 0 HD11 LEU A 78 -2.727 8.984 3.156 1.00 63.34 H new ATOM 0 HD12 LEU A 78 -2.490 7.908 4.554 1.00 63.34 H new ATOM 0 HD13 LEU A 78 -2.801 9.642 4.808 1.00 63.34 H new ATOM 0 HD21 LEU A 78 -0.978 10.597 2.501 1.00 12.30 H new ATOM 0 HD22 LEU A 78 -0.972 11.334 4.121 1.00 12.30 H new ATOM 0 HD23 LEU A 78 0.541 10.708 3.423 1.00 12.30 H new ATOM 1214 N GLY A 79 1.572 8.101 7.721 1.00 3.04 N ATOM 1215 CA GLY A 79 1.963 7.955 9.121 1.00 50.02 C ATOM 1216 C GLY A 79 1.244 6.808 9.830 1.00 64.51 C ATOM 1217 O GLY A 79 0.483 6.066 9.205 1.00 1.53 O ATOM 0 H GLY A 79 1.143 7.272 7.310 1.00 3.04 H new ATOM 0 HA2 GLY A 79 3.039 7.790 9.176 1.00 50.02 H new ATOM 0 HA3 GLY A 79 1.756 8.886 9.648 1.00 50.02 H new ATOM 1221 N PRO A 80 1.479 6.631 11.143 1.00 32.24 N ATOM 1222 CA PRO A 80 0.817 5.587 11.940 1.00 24.33 C ATOM 1223 C PRO A 80 -0.596 5.989 12.410 1.00 24.21 C ATOM 1224 O PRO A 80 -0.921 7.174 12.506 1.00 51.32 O ATOM 1225 CB PRO A 80 1.761 5.436 13.135 1.00 13.15 C ATOM 1226 CG PRO A 80 2.325 6.805 13.332 1.00 42.42 C ATOM 1227 CD PRO A 80 2.423 7.426 11.957 1.00 3.53 C ATOM 0 HA PRO A 80 0.659 4.672 11.369 1.00 24.33 H new ATOM 0 HB2 PRO A 80 1.229 5.093 14.022 1.00 13.15 H new ATOM 0 HB3 PRO A 80 2.546 4.707 12.933 1.00 13.15 H new ATOM 0 HG2 PRO A 80 1.684 7.400 13.982 1.00 42.42 H new ATOM 0 HG3 PRO A 80 3.305 6.757 13.808 1.00 42.42 H new ATOM 0 HD2 PRO A 80 2.147 8.480 11.974 1.00 3.53 H new ATOM 0 HD3 PRO A 80 3.438 7.368 11.563 1.00 3.53 H new ATOM 1235 N LEU A 81 -1.429 4.992 12.706 1.00 13.15 N ATOM 1236 CA LEU A 81 -2.806 5.230 13.173 1.00 11.14 C ATOM 1237 C LEU A 81 -2.875 5.242 14.711 1.00 11.15 C ATOM 1238 O LEU A 81 -1.974 4.741 15.384 1.00 73.23 O ATOM 1239 CB LEU A 81 -3.762 4.156 12.621 1.00 4.21 C ATOM 1240 CG LEU A 81 -3.888 4.091 11.082 1.00 65.43 C ATOM 1241 CD1 LEU A 81 -2.617 3.535 10.441 1.00 63.31 C ATOM 1242 CD2 LEU A 81 -5.102 3.260 10.671 1.00 62.34 C ATOM 0 H LEU A 81 -1.179 4.006 12.632 1.00 13.15 H new ATOM 0 HA LEU A 81 -3.115 6.207 12.801 1.00 11.14 H new ATOM 0 HB2 LEU A 81 -3.430 3.182 12.980 1.00 4.21 H new ATOM 0 HB3 LEU A 81 -4.753 4.329 13.040 1.00 4.21 H new ATOM 0 HG LEU A 81 -4.027 5.110 10.720 1.00 65.43 H new ATOM 0 HD11 LEU A 81 -2.740 3.503 9.358 1.00 63.31 H new ATOM 0 HD12 LEU A 81 -1.772 4.177 10.692 1.00 63.31 H new ATOM 0 HD13 LEU A 81 -2.431 2.528 10.815 1.00 63.31 H new ATOM 0 HD21 LEU A 81 -5.170 3.229 9.584 1.00 62.34 H new ATOM 0 HD22 LEU A 81 -4.997 2.246 11.057 1.00 62.34 H new ATOM 0 HD23 LEU A 81 -6.007 3.711 11.078 1.00 62.34 H new ATOM 1254 N GLU A 82 -3.941 5.822 15.262 1.00 70.31 N ATOM 1255 CA GLU A 82 -4.140 5.848 16.722 1.00 52.14 C ATOM 1256 C GLU A 82 -4.905 4.601 17.226 1.00 62.41 C ATOM 1257 O GLU A 82 -6.117 4.466 16.940 1.00 36.93 O ATOM 1258 CB GLU A 82 -4.853 7.142 17.175 1.00 62.34 C ATOM 1259 CG GLU A 82 -6.097 7.523 16.370 1.00 1.11 C ATOM 1260 CD GLU A 82 -5.773 8.246 15.069 1.00 35.14 C ATOM 1261 OE1 GLU A 82 -5.400 9.432 15.128 1.00 63.12 O ATOM 1262 OE2 GLU A 82 -5.898 7.640 13.983 1.00 5.22 O ATOM 0 H GLU A 82 -4.680 6.280 14.728 1.00 70.31 H new ATOM 0 HA GLU A 82 -3.147 5.831 17.172 1.00 52.14 H new ATOM 0 HB2 GLU A 82 -5.138 7.032 18.221 1.00 62.34 H new ATOM 0 HB3 GLU A 82 -4.141 7.966 17.123 1.00 62.34 H new ATOM 0 HG2 GLU A 82 -6.666 6.621 16.145 1.00 1.11 H new ATOM 0 HG3 GLU A 82 -6.737 8.159 16.982 1.00 1.11 H new TER 1269 GLU A 82