USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 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 Single : A 1 GLY N :NH3+ -114:sc= 0.0884 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0.149 (180deg=0.145) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= -0.0172 (180deg=-0.652) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0326 (180deg=-0.278) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 6:sc= 0.0461 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.00314 X(o=-0.0031,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.697 -1.799 18.811 1.00 30.04 N ATOM 2 CA GLY A 1 1.202 -1.979 20.164 1.00 43.10 C ATOM 3 C GLY A 1 0.718 -3.392 20.421 1.00 31.01 C ATOM 4 O GLY A 1 0.645 -4.220 19.513 1.00 21.35 O ATOM 0 H1 GLY A 1 2.719 -1.607 18.838 1.00 30.04 H new ATOM 0 H2 GLY A 1 1.522 -2.663 18.259 1.00 30.04 H new ATOM 0 H3 GLY A 1 1.206 -0.998 18.365 1.00 30.04 H new ATOM 0 HA2 GLY A 1 1.993 -1.735 20.873 1.00 43.10 H new ATOM 0 HA3 GLY A 1 0.385 -1.280 20.345 1.00 43.10 H new ATOM 8 N PRO A 2 0.376 -3.685 21.684 1.00 11.45 N ATOM 9 CA PRO A 2 -0.109 -5.007 22.087 1.00 22.35 C ATOM 10 C PRO A 2 -1.500 -5.307 21.539 1.00 2.30 C ATOM 11 O PRO A 2 -2.027 -4.560 20.712 1.00 5.32 O ATOM 12 CB PRO A 2 -0.143 -4.922 23.616 1.00 71.25 C ATOM 13 CG PRO A 2 -0.297 -3.470 23.911 1.00 75.33 C ATOM 14 CD PRO A 2 0.438 -2.745 22.818 1.00 73.24 C ATOM 0 HA PRO A 2 0.525 -5.807 21.705 1.00 22.35 H new ATOM 0 HB2 PRO A 2 -0.971 -5.499 24.026 1.00 71.25 H new ATOM 0 HB3 PRO A 2 0.772 -5.320 24.055 1.00 71.25 H new ATOM 0 HG2 PRO A 2 -1.349 -3.185 23.929 1.00 75.33 H new ATOM 0 HG3 PRO A 2 0.117 -3.224 24.889 1.00 75.33 H new ATOM 0 HD2 PRO A 2 -0.036 -1.793 22.578 1.00 73.24 H new ATOM 0 HD3 PRO A 2 1.467 -2.526 23.103 1.00 73.24 H new ATOM 22 N LEU A 3 -2.091 -6.402 22.004 1.00 50.44 N ATOM 23 CA LEU A 3 -3.422 -6.800 21.560 1.00 54.25 C ATOM 24 C LEU A 3 -3.434 -7.087 20.062 1.00 64.40 C ATOM 25 O LEU A 3 -3.540 -6.175 19.244 1.00 15.33 O ATOM 26 CB LEU A 3 -4.439 -5.705 21.888 1.00 41.41 C ATOM 27 CG LEU A 3 -4.366 -5.121 23.299 1.00 33.04 C ATOM 28 CD1 LEU A 3 -5.129 -3.808 23.375 1.00 72.03 C ATOM 29 CD2 LEU A 3 -4.909 -6.115 24.316 1.00 14.01 C ATOM 0 H LEU A 3 -1.669 -7.030 22.688 1.00 50.44 H new ATOM 0 HA LEU A 3 -3.696 -7.713 22.089 1.00 54.25 H new ATOM 0 HB2 LEU A 3 -4.311 -4.892 21.173 1.00 41.41 H new ATOM 0 HB3 LEU A 3 -5.440 -6.109 21.735 1.00 41.41 H new ATOM 0 HG LEU A 3 -3.320 -4.923 23.535 1.00 33.04 H new ATOM 0 HD11 LEU A 3 -5.065 -3.408 24.387 1.00 72.03 H new ATOM 0 HD12 LEU A 3 -4.695 -3.094 22.675 1.00 72.03 H new ATOM 0 HD13 LEU A 3 -6.174 -3.979 23.118 1.00 72.03 H new ATOM 0 HD21 LEU A 3 -4.849 -5.683 25.315 1.00 14.01 H new ATOM 0 HD22 LEU A 3 -5.948 -6.344 24.081 1.00 14.01 H new ATOM 0 HD23 LEU A 3 -4.319 -7.031 24.281 1.00 14.01 H new ATOM 41 N GLY A 4 -3.325 -8.365 19.710 1.00 55.25 N ATOM 42 CA GLY A 4 -3.327 -8.752 18.311 1.00 55.33 C ATOM 43 C GLY A 4 -4.634 -9.395 17.888 1.00 44.10 C ATOM 44 O GLY A 4 -5.306 -10.036 18.695 1.00 52.30 O ATOM 0 H GLY A 4 -3.235 -9.139 20.369 1.00 55.25 H new ATOM 0 HA2 GLY A 4 -3.142 -7.873 17.694 1.00 55.33 H new ATOM 0 HA3 GLY A 4 -2.508 -9.448 18.129 1.00 55.33 H new ATOM 48 N SER A 5 -4.993 -9.221 16.621 1.00 32.51 N ATOM 49 CA SER A 5 -6.231 -9.786 16.094 1.00 41.54 C ATOM 50 C SER A 5 -5.941 -10.973 15.181 1.00 52.14 C ATOM 51 O SER A 5 -6.771 -11.868 15.025 1.00 35.45 O ATOM 52 CB SER A 5 -7.017 -8.719 15.329 1.00 74.41 C ATOM 53 OG SER A 5 -7.357 -7.632 16.173 1.00 64.52 O ATOM 0 H SER A 5 -4.446 -8.694 15.940 1.00 32.51 H new ATOM 0 HA SER A 5 -6.830 -10.135 16.935 1.00 41.54 H new ATOM 0 HB2 SER A 5 -6.424 -8.359 14.488 1.00 74.41 H new ATOM 0 HB3 SER A 5 -7.924 -9.159 14.914 1.00 74.41 H new ATOM 0 HG SER A 5 -7.857 -6.963 15.660 1.00 64.52 H new ATOM 59 N VAL A 6 -4.757 -10.973 14.578 1.00 25.43 N ATOM 60 CA VAL A 6 -4.355 -12.050 13.681 1.00 71.01 C ATOM 61 C VAL A 6 -5.403 -12.284 12.600 1.00 53.14 C ATOM 62 O VAL A 6 -6.244 -13.174 12.719 1.00 72.33 O ATOM 63 CB VAL A 6 -4.124 -13.364 14.450 1.00 3.03 C ATOM 64 CG1 VAL A 6 -3.649 -14.459 13.507 1.00 41.13 C ATOM 65 CG2 VAL A 6 -3.127 -13.152 15.579 1.00 23.42 C ATOM 0 H VAL A 6 -4.059 -10.239 14.694 1.00 25.43 H new ATOM 0 HA VAL A 6 -3.419 -11.741 13.215 1.00 71.01 H new ATOM 0 HB VAL A 6 -5.071 -13.680 14.887 1.00 3.03 H new ATOM 0 HG11 VAL A 6 -3.491 -15.380 14.069 1.00 41.13 H new ATOM 0 HG12 VAL A 6 -4.402 -14.628 12.737 1.00 41.13 H new ATOM 0 HG13 VAL A 6 -2.713 -14.155 13.038 1.00 41.13 H new ATOM 0 HG21 VAL A 6 -2.976 -14.091 16.112 1.00 23.42 H new ATOM 0 HG22 VAL A 6 -2.177 -12.812 15.167 1.00 23.42 H new ATOM 0 HG23 VAL A 6 -3.513 -12.401 16.269 1.00 23.42 H new ATOM 75 N ALA A 7 -5.347 -11.478 11.544 1.00 42.22 N ATOM 76 CA ALA A 7 -6.290 -11.599 10.440 1.00 2.41 C ATOM 77 C ALA A 7 -5.569 -11.575 9.097 1.00 40.53 C ATOM 78 O ALA A 7 -6.147 -11.201 8.076 1.00 43.31 O ATOM 79 CB ALA A 7 -7.325 -10.485 10.506 1.00 62.35 C ATOM 0 H ALA A 7 -4.658 -10.734 11.431 1.00 42.22 H new ATOM 0 HA ALA A 7 -6.799 -12.559 10.532 1.00 2.41 H new ATOM 0 HB1 ALA A 7 -8.023 -10.587 9.675 1.00 62.35 H new ATOM 0 HB2 ALA A 7 -7.870 -10.550 11.448 1.00 62.35 H new ATOM 0 HB3 ALA A 7 -6.824 -9.519 10.442 1.00 62.35 H new ATOM 85 N LYS A 8 -4.302 -11.975 9.104 1.00 70.02 N ATOM 86 CA LYS A 8 -3.500 -12.000 7.885 1.00 2.44 C ATOM 87 C LYS A 8 -2.250 -12.853 8.074 1.00 34.50 C ATOM 88 O LYS A 8 -1.872 -13.178 9.200 1.00 64.44 O ATOM 89 CB LYS A 8 -3.103 -10.578 7.482 1.00 1.22 C ATOM 90 CG LYS A 8 -2.451 -9.787 8.604 1.00 73.05 C ATOM 91 CD LYS A 8 -3.386 -8.720 9.151 1.00 71.43 C ATOM 92 CE LYS A 8 -3.213 -8.543 10.650 1.00 23.14 C ATOM 93 NZ LYS A 8 -1.974 -7.783 10.980 1.00 54.30 N ATOM 0 H LYS A 8 -3.808 -12.286 9.940 1.00 70.02 H new ATOM 0 HA LYS A 8 -4.104 -12.441 7.092 1.00 2.44 H new ATOM 0 HB2 LYS A 8 -2.416 -10.627 6.637 1.00 1.22 H new ATOM 0 HB3 LYS A 8 -3.990 -10.045 7.141 1.00 1.22 H new ATOM 0 HG2 LYS A 8 -2.161 -10.464 9.407 1.00 73.05 H new ATOM 0 HG3 LYS A 8 -1.538 -9.318 8.237 1.00 73.05 H new ATOM 0 HD2 LYS A 8 -3.193 -7.773 8.647 1.00 71.43 H new ATOM 0 HD3 LYS A 8 -4.418 -8.993 8.933 1.00 71.43 H new ATOM 0 HE2 LYS A 8 -4.079 -8.020 11.056 1.00 23.14 H new ATOM 0 HE3 LYS A 8 -3.178 -9.521 11.129 1.00 23.14 H new ATOM 0 HZ1 LYS A 8 -1.892 -7.684 12.012 1.00 54.30 H new ATOM 0 HZ2 LYS A 8 -1.145 -8.294 10.615 1.00 54.30 H new ATOM 0 HZ3 LYS A 8 -2.019 -6.840 10.544 1.00 54.30 H new ATOM 107 N LYS A 9 -1.612 -13.213 6.966 1.00 74.11 N ATOM 108 CA LYS A 9 -0.403 -14.027 7.008 1.00 23.51 C ATOM 109 C LYS A 9 0.791 -13.257 6.455 1.00 42.41 C ATOM 110 O LYS A 9 1.747 -13.851 5.954 1.00 32.11 O ATOM 111 CB LYS A 9 -0.604 -15.319 6.212 1.00 11.51 C ATOM 112 CG LYS A 9 -0.353 -16.578 7.022 1.00 75.50 C ATOM 113 CD LYS A 9 1.093 -17.033 6.913 1.00 55.14 C ATOM 114 CE LYS A 9 1.656 -17.433 8.267 1.00 23.43 C ATOM 115 NZ LYS A 9 2.447 -18.692 8.189 1.00 63.35 N ATOM 0 H LYS A 9 -1.912 -12.954 6.026 1.00 74.11 H new ATOM 0 HA LYS A 9 -0.200 -14.278 8.049 1.00 23.51 H new ATOM 0 HB2 LYS A 9 -1.623 -15.343 5.826 1.00 11.51 H new ATOM 0 HB3 LYS A 9 0.064 -15.312 5.350 1.00 11.51 H new ATOM 0 HG2 LYS A 9 -0.600 -16.394 8.068 1.00 75.50 H new ATOM 0 HG3 LYS A 9 -1.013 -17.373 6.674 1.00 75.50 H new ATOM 0 HD2 LYS A 9 1.159 -17.877 6.227 1.00 55.14 H new ATOM 0 HD3 LYS A 9 1.697 -16.230 6.490 1.00 55.14 H new ATOM 0 HE2 LYS A 9 2.287 -16.631 8.649 1.00 23.43 H new ATOM 0 HE3 LYS A 9 0.839 -17.561 8.977 1.00 23.43 H new ATOM 0 HZ1 LYS A 9 2.814 -18.931 9.133 1.00 63.35 H new ATOM 0 HZ2 LYS A 9 1.839 -19.464 7.849 1.00 63.35 H new ATOM 0 HZ3 LYS A 9 3.242 -18.562 7.531 1.00 63.35 H new ATOM 129 N ILE A 10 0.731 -11.932 6.548 1.00 35.24 N ATOM 130 CA ILE A 10 1.808 -11.082 6.059 1.00 1.11 C ATOM 131 C ILE A 10 2.262 -10.098 7.131 1.00 53.20 C ATOM 132 O ILE A 10 1.491 -9.245 7.574 1.00 53.44 O ATOM 133 CB ILE A 10 1.380 -10.298 4.805 1.00 41.42 C ATOM 134 CG1 ILE A 10 0.938 -11.260 3.699 1.00 4.25 C ATOM 135 CG2 ILE A 10 2.519 -9.412 4.320 1.00 64.44 C ATOM 136 CD1 ILE A 10 0.517 -10.563 2.425 1.00 72.53 C ATOM 0 H ILE A 10 -0.053 -11.425 6.958 1.00 35.24 H new ATOM 0 HA ILE A 10 2.637 -11.740 5.800 1.00 1.11 H new ATOM 0 HB ILE A 10 0.534 -9.661 5.065 1.00 41.42 H new ATOM 0 HG12 ILE A 10 1.756 -11.945 3.476 1.00 4.25 H new ATOM 0 HG13 ILE A 10 0.108 -11.864 4.065 1.00 4.25 H new ATOM 0 HG21 ILE A 10 2.201 -8.864 3.433 1.00 64.44 H new ATOM 0 HG22 ILE A 10 2.790 -8.706 5.105 1.00 64.44 H new ATOM 0 HG23 ILE A 10 3.382 -10.031 4.075 1.00 64.44 H new ATOM 0 HD11 ILE A 10 0.217 -11.306 1.686 1.00 72.53 H new ATOM 0 HD12 ILE A 10 -0.322 -9.899 2.634 1.00 72.53 H new ATOM 0 HD13 ILE A 10 1.352 -9.981 2.036 1.00 72.53 H new ATOM 148 N THR A 11 3.519 -10.219 7.545 1.00 4.20 N ATOM 149 CA THR A 11 4.076 -9.340 8.565 1.00 4.11 C ATOM 150 C THR A 11 4.611 -8.053 7.948 1.00 5.53 C ATOM 151 O THR A 11 5.623 -8.063 7.247 1.00 2.15 O ATOM 152 CB THR A 11 5.210 -10.032 9.345 1.00 44.32 C ATOM 153 OG1 THR A 11 4.862 -11.395 9.610 1.00 14.41 O ATOM 154 CG2 THR A 11 5.486 -9.309 10.654 1.00 44.44 C ATOM 0 H THR A 11 4.171 -10.918 7.189 1.00 4.20 H new ATOM 0 HA THR A 11 3.265 -9.101 9.253 1.00 4.11 H new ATOM 0 HB THR A 11 6.112 -10.001 8.735 1.00 44.32 H new ATOM 0 HG1 THR A 11 5.589 -11.828 10.105 1.00 14.41 H new ATOM 0 HG21 THR A 11 6.290 -9.816 11.187 1.00 44.44 H new ATOM 0 HG22 THR A 11 5.780 -8.280 10.446 1.00 44.44 H new ATOM 0 HG23 THR A 11 4.585 -9.312 11.268 1.00 44.44 H new ATOM 162 N TRP A 12 3.926 -6.946 8.214 1.00 62.12 N ATOM 163 CA TRP A 12 4.334 -5.649 7.685 1.00 74.44 C ATOM 164 C TRP A 12 5.398 -5.011 8.570 1.00 54.50 C ATOM 165 O TRP A 12 5.095 -4.503 9.650 1.00 65.13 O ATOM 166 CB TRP A 12 3.125 -4.721 7.567 1.00 14.13 C ATOM 167 CG TRP A 12 2.148 -5.145 6.512 1.00 61.12 C ATOM 168 CD1 TRP A 12 0.960 -5.791 6.705 1.00 3.03 C ATOM 169 CD2 TRP A 12 2.279 -4.957 5.098 1.00 14.33 C ATOM 170 NE1 TRP A 12 0.344 -6.015 5.498 1.00 40.11 N ATOM 171 CE2 TRP A 12 1.132 -5.511 4.497 1.00 63.15 C ATOM 172 CE3 TRP A 12 3.251 -4.372 4.283 1.00 51.22 C ATOM 173 CZ2 TRP A 12 0.935 -5.499 3.119 1.00 53.33 C ATOM 174 CZ3 TRP A 12 3.053 -4.359 2.915 1.00 23.34 C ATOM 175 CH2 TRP A 12 1.903 -4.919 2.344 1.00 3.40 C ATOM 0 H TRP A 12 3.086 -6.921 8.792 1.00 62.12 H new ATOM 0 HA TRP A 12 4.760 -5.805 6.694 1.00 74.44 H new ATOM 0 HB2 TRP A 12 2.614 -4.679 8.529 1.00 14.13 H new ATOM 0 HB3 TRP A 12 3.472 -3.712 7.346 1.00 14.13 H new ATOM 0 HD1 TRP A 12 0.563 -6.083 7.666 1.00 3.03 H new ATOM 0 HE1 TRP A 12 -0.554 -6.481 5.368 1.00 40.11 H new ATOM 0 HE3 TRP A 12 4.141 -3.938 4.714 1.00 51.22 H new ATOM 0 HZ2 TRP A 12 0.050 -5.932 2.677 1.00 53.33 H new ATOM 0 HZ3 TRP A 12 3.798 -3.909 2.275 1.00 23.34 H new ATOM 0 HH2 TRP A 12 1.778 -4.893 1.272 1.00 3.40 H new ATOM 186 N ARG A 13 6.642 -5.038 8.105 1.00 24.43 N ATOM 187 CA ARG A 13 7.751 -4.461 8.856 1.00 33.33 C ATOM 188 C ARG A 13 8.026 -3.030 8.408 1.00 50.23 C ATOM 189 O ARG A 13 7.589 -2.608 7.336 1.00 20.44 O ATOM 190 CB ARG A 13 9.010 -5.312 8.682 1.00 23.23 C ATOM 191 CG ARG A 13 8.897 -6.699 9.294 1.00 62.44 C ATOM 192 CD ARG A 13 9.750 -7.710 8.542 1.00 2.14 C ATOM 193 NE ARG A 13 9.026 -8.952 8.284 1.00 34.12 N ATOM 194 CZ ARG A 13 9.387 -9.835 7.359 1.00 2.35 C ATOM 195 NH1 ARG A 13 10.459 -9.613 6.610 1.00 35.12 N ATOM 196 NH2 ARG A 13 8.677 -10.942 7.184 1.00 50.00 N ATOM 0 H ARG A 13 6.908 -5.453 7.212 1.00 24.43 H new ATOM 0 HA ARG A 13 7.473 -4.446 9.910 1.00 33.33 H new ATOM 0 HB2 ARG A 13 9.228 -5.410 7.619 1.00 23.23 H new ATOM 0 HB3 ARG A 13 9.855 -4.792 9.134 1.00 23.23 H new ATOM 0 HG2 ARG A 13 9.208 -6.664 10.338 1.00 62.44 H new ATOM 0 HG3 ARG A 13 7.855 -7.020 9.282 1.00 62.44 H new ATOM 0 HD2 ARG A 13 10.076 -7.277 7.596 1.00 2.14 H new ATOM 0 HD3 ARG A 13 10.648 -7.927 9.120 1.00 2.14 H new ATOM 0 HE ARG A 13 8.198 -9.153 8.845 1.00 34.12 H new ATOM 0 HH11 ARG A 13 11.008 -8.764 6.744 1.00 35.12 H new ATOM 0 HH12 ARG A 13 10.735 -10.292 5.900 1.00 35.12 H new ATOM 0 HH21 ARG A 13 7.853 -11.116 7.760 1.00 50.00 H new ATOM 0 HH22 ARG A 13 8.955 -11.619 6.474 1.00 50.00 H new ATOM 210 N LYS A 14 8.752 -2.284 9.234 1.00 74.40 N ATOM 211 CA LYS A 14 9.086 -0.900 8.923 1.00 51.11 C ATOM 212 C LYS A 14 9.886 -0.811 7.628 1.00 41.41 C ATOM 213 O LYS A 14 9.701 0.113 6.836 1.00 12.03 O ATOM 214 CB LYS A 14 9.884 -0.277 10.071 1.00 14.52 C ATOM 215 CG LYS A 14 11.217 -0.958 10.326 1.00 50.30 C ATOM 216 CD LYS A 14 11.785 -0.581 11.684 1.00 22.44 C ATOM 217 CE LYS A 14 12.626 -1.706 12.268 1.00 52.13 C ATOM 218 NZ LYS A 14 11.948 -2.364 13.420 1.00 4.22 N ATOM 0 H LYS A 14 9.121 -2.616 10.125 1.00 74.40 H new ATOM 0 HA LYS A 14 8.155 -0.348 8.793 1.00 51.11 H new ATOM 0 HB2 LYS A 14 10.060 0.776 9.850 1.00 14.52 H new ATOM 0 HB3 LYS A 14 9.286 -0.316 10.981 1.00 14.52 H new ATOM 0 HG2 LYS A 14 11.091 -2.039 10.271 1.00 50.30 H new ATOM 0 HG3 LYS A 14 11.924 -0.680 9.545 1.00 50.30 H new ATOM 0 HD2 LYS A 14 12.394 0.318 11.588 1.00 22.44 H new ATOM 0 HD3 LYS A 14 10.970 -0.342 12.367 1.00 22.44 H new ATOM 0 HE2 LYS A 14 12.829 -2.447 11.495 1.00 52.13 H new ATOM 0 HE3 LYS A 14 13.589 -1.310 12.591 1.00 52.13 H new ATOM 0 HZ1 LYS A 14 12.553 -3.125 13.790 1.00 4.22 H new ATOM 0 HZ2 LYS A 14 11.777 -1.663 14.169 1.00 4.22 H new ATOM 0 HZ3 LYS A 14 11.041 -2.764 13.106 1.00 4.22 H new ATOM 232 N GLN A 15 10.773 -1.778 7.418 1.00 2.01 N ATOM 233 CA GLN A 15 11.600 -1.807 6.217 1.00 31.42 C ATOM 234 C GLN A 15 10.753 -2.085 4.980 1.00 43.12 C ATOM 235 O GLN A 15 10.803 -1.339 4.001 1.00 60.00 O ATOM 236 CB GLN A 15 12.692 -2.870 6.351 1.00 64.11 C ATOM 237 CG GLN A 15 13.664 -2.895 5.182 1.00 40.15 C ATOM 238 CD GLN A 15 15.066 -3.297 5.596 1.00 51.21 C ATOM 239 OE1 GLN A 15 15.958 -2.456 5.710 1.00 15.42 O ATOM 240 NE2 GLN A 15 15.268 -4.590 5.824 1.00 11.12 N ATOM 0 H GLN A 15 10.938 -2.551 8.063 1.00 2.01 H new ATOM 0 HA GLN A 15 12.067 -0.828 6.103 1.00 31.42 H new ATOM 0 HB2 GLN A 15 13.248 -2.693 7.272 1.00 64.11 H new ATOM 0 HB3 GLN A 15 12.224 -3.850 6.445 1.00 64.11 H new ATOM 0 HG2 GLN A 15 13.299 -3.590 4.426 1.00 40.15 H new ATOM 0 HG3 GLN A 15 13.695 -1.909 4.719 1.00 40.15 H new ATOM 0 HE21 GLN A 15 14.500 -5.253 5.718 1.00 11.12 H new ATOM 0 HE22 GLN A 15 16.191 -4.920 6.106 1.00 11.12 H new ATOM 249 N ASP A 16 9.977 -3.161 5.029 1.00 34.34 N ATOM 250 CA ASP A 16 9.117 -3.537 3.913 1.00 72.40 C ATOM 251 C ASP A 16 8.200 -2.383 3.521 1.00 73.32 C ATOM 252 O ASP A 16 7.808 -2.254 2.360 1.00 43.33 O ATOM 253 CB ASP A 16 8.284 -4.768 4.274 1.00 52.42 C ATOM 254 CG ASP A 16 9.015 -6.065 3.991 1.00 72.24 C ATOM 255 OD1 ASP A 16 10.212 -6.160 4.334 1.00 54.40 O ATOM 256 OD2 ASP A 16 8.389 -6.988 3.427 1.00 0.15 O ATOM 0 H ASP A 16 9.925 -3.790 5.831 1.00 34.34 H new ATOM 0 HA ASP A 16 9.753 -3.777 3.061 1.00 72.40 H new ATOM 0 HB2 ASP A 16 8.019 -4.727 5.331 1.00 52.42 H new ATOM 0 HB3 ASP A 16 7.351 -4.750 3.711 1.00 52.42 H new ATOM 261 N LEU A 17 7.859 -1.548 4.496 1.00 62.12 N ATOM 262 CA LEU A 17 6.986 -0.404 4.253 1.00 33.21 C ATOM 263 C LEU A 17 7.717 0.683 3.472 1.00 21.43 C ATOM 264 O LEU A 17 7.101 1.453 2.736 1.00 12.33 O ATOM 265 CB LEU A 17 6.473 0.161 5.580 1.00 45.23 C ATOM 266 CG LEU A 17 5.025 -0.175 5.937 1.00 32.44 C ATOM 267 CD1 LEU A 17 4.078 0.326 4.857 1.00 0.43 C ATOM 268 CD2 LEU A 17 4.860 -1.674 6.140 1.00 74.14 C ATOM 0 H LEU A 17 8.173 -1.641 5.462 1.00 62.12 H new ATOM 0 HA LEU A 17 6.138 -0.744 3.658 1.00 33.21 H new ATOM 0 HB2 LEU A 17 7.117 -0.203 6.380 1.00 45.23 H new ATOM 0 HB3 LEU A 17 6.578 1.246 5.555 1.00 45.23 H new ATOM 0 HG LEU A 17 4.776 0.328 6.871 1.00 32.44 H new ATOM 0 HD11 LEU A 17 3.052 0.078 5.129 1.00 0.43 H new ATOM 0 HD12 LEU A 17 4.176 1.407 4.760 1.00 0.43 H new ATOM 0 HD13 LEU A 17 4.326 -0.147 3.907 1.00 0.43 H new ATOM 0 HD21 LEU A 17 3.823 -1.895 6.393 1.00 74.14 H new ATOM 0 HD22 LEU A 17 5.129 -2.197 5.222 1.00 74.14 H new ATOM 0 HD23 LEU A 17 5.510 -2.005 6.950 1.00 74.14 H new ATOM 280 N ASP A 18 9.035 0.738 3.636 1.00 33.43 N ATOM 281 CA ASP A 18 9.850 1.728 2.944 1.00 11.22 C ATOM 282 C ASP A 18 9.675 1.616 1.433 1.00 25.24 C ATOM 283 O ASP A 18 9.832 2.597 0.706 1.00 34.24 O ATOM 284 CB ASP A 18 11.324 1.554 3.315 1.00 42.43 C ATOM 285 CG ASP A 18 12.040 2.880 3.478 1.00 5.34 C ATOM 286 OD1 ASP A 18 12.510 3.431 2.460 1.00 22.43 O ATOM 287 OD2 ASP A 18 12.131 3.368 4.625 1.00 3.10 O ATOM 0 H ASP A 18 9.561 0.108 4.242 1.00 33.43 H new ATOM 0 HA ASP A 18 9.519 2.719 3.256 1.00 11.22 H new ATOM 0 HB2 ASP A 18 11.398 0.988 4.244 1.00 42.43 H new ATOM 0 HB3 ASP A 18 11.823 0.967 2.544 1.00 42.43 H new ATOM 292 N ARG A 19 9.353 0.414 0.967 1.00 13.12 N ATOM 293 CA ARG A 19 9.160 0.173 -0.457 1.00 53.30 C ATOM 294 C ARG A 19 7.772 0.626 -0.902 1.00 71.12 C ATOM 295 O ARG A 19 7.615 1.226 -1.966 1.00 20.23 O ATOM 296 CB ARG A 19 9.350 -1.312 -0.775 1.00 55.44 C ATOM 297 CG ARG A 19 9.284 -1.629 -2.261 1.00 33.11 C ATOM 298 CD ARG A 19 10.467 -2.474 -2.703 1.00 25.41 C ATOM 299 NE ARG A 19 10.601 -3.690 -1.904 1.00 50.11 N ATOM 300 CZ ARG A 19 9.762 -4.717 -1.985 1.00 20.24 C ATOM 301 NH1 ARG A 19 8.737 -4.676 -2.823 1.00 74.31 N ATOM 302 NH2 ARG A 19 9.949 -5.789 -1.225 1.00 5.23 N ATOM 0 H ARG A 19 9.220 -0.408 1.556 1.00 13.12 H new ATOM 0 HA ARG A 19 9.905 0.753 -1.002 1.00 53.30 H new ATOM 0 HB2 ARG A 19 10.314 -1.638 -0.385 1.00 55.44 H new ATOM 0 HB3 ARG A 19 8.584 -1.887 -0.255 1.00 55.44 H new ATOM 0 HG2 ARG A 19 8.356 -2.157 -2.481 1.00 33.11 H new ATOM 0 HG3 ARG A 19 9.265 -0.701 -2.832 1.00 33.11 H new ATOM 0 HD2 ARG A 19 10.349 -2.742 -3.753 1.00 25.41 H new ATOM 0 HD3 ARG A 19 11.382 -1.886 -2.625 1.00 25.41 H new ATOM 0 HE ARG A 19 11.380 -3.754 -1.249 1.00 50.11 H new ATOM 0 HH11 ARG A 19 8.590 -3.854 -3.409 1.00 74.31 H new ATOM 0 HH12 ARG A 19 8.095 -5.466 -2.882 1.00 74.31 H new ATOM 0 HH21 ARG A 19 10.737 -5.825 -0.578 1.00 5.23 H new ATOM 0 HH22 ARG A 19 9.305 -6.577 -1.288 1.00 5.23 H new ATOM 316 N LEU A 20 6.770 0.334 -0.082 1.00 33.13 N ATOM 317 CA LEU A 20 5.394 0.710 -0.390 1.00 11.14 C ATOM 318 C LEU A 20 5.220 2.225 -0.338 1.00 33.45 C ATOM 319 O LEU A 20 4.611 2.822 -1.226 1.00 31.11 O ATOM 320 CB LEU A 20 4.429 0.040 0.589 1.00 34.11 C ATOM 321 CG LEU A 20 2.991 0.560 0.577 1.00 51.13 C ATOM 322 CD1 LEU A 20 2.305 0.201 -0.731 1.00 35.21 C ATOM 323 CD2 LEU A 20 2.213 0.004 1.760 1.00 31.44 C ATOM 0 H LEU A 20 6.884 -0.162 0.802 1.00 33.13 H new ATOM 0 HA LEU A 20 5.168 0.371 -1.401 1.00 11.14 H new ATOM 0 HB2 LEU A 20 4.409 -1.029 0.375 1.00 34.11 H new ATOM 0 HB3 LEU A 20 4.827 0.156 1.597 1.00 34.11 H new ATOM 0 HG LEU A 20 3.017 1.646 0.663 1.00 51.13 H new ATOM 0 HD11 LEU A 20 1.283 0.579 -0.721 1.00 35.21 H new ATOM 0 HD12 LEU A 20 2.850 0.649 -1.562 1.00 35.21 H new ATOM 0 HD13 LEU A 20 2.290 -0.883 -0.849 1.00 35.21 H new ATOM 0 HD21 LEU A 20 1.192 0.385 1.735 1.00 31.44 H new ATOM 0 HD22 LEU A 20 2.196 -1.084 1.705 1.00 31.44 H new ATOM 0 HD23 LEU A 20 2.693 0.313 2.689 1.00 31.44 H new ATOM 335 N LYS A 21 5.758 2.841 0.709 1.00 12.20 N ATOM 336 CA LYS A 21 5.666 4.287 0.878 1.00 54.14 C ATOM 337 C LYS A 21 6.234 5.014 -0.337 1.00 21.31 C ATOM 338 O LYS A 21 5.823 6.130 -0.653 1.00 51.31 O ATOM 339 CB LYS A 21 6.412 4.722 2.141 1.00 52.42 C ATOM 340 CG LYS A 21 7.920 4.579 2.037 1.00 2.10 C ATOM 341 CD LYS A 21 8.624 5.217 3.223 1.00 72.33 C ATOM 342 CE LYS A 21 8.214 4.562 4.532 1.00 12.33 C ATOM 343 NZ LYS A 21 9.306 4.613 5.544 1.00 71.13 N ATOM 0 H LYS A 21 6.263 2.361 1.454 1.00 12.20 H new ATOM 0 HA LYS A 21 4.613 4.550 0.977 1.00 54.14 H new ATOM 0 HB2 LYS A 21 6.168 5.762 2.356 1.00 52.42 H new ATOM 0 HB3 LYS A 21 6.057 4.130 2.985 1.00 52.42 H new ATOM 0 HG2 LYS A 21 8.183 3.523 1.982 1.00 2.10 H new ATOM 0 HG3 LYS A 21 8.268 5.043 1.114 1.00 2.10 H new ATOM 0 HD2 LYS A 21 9.703 5.133 3.095 1.00 72.33 H new ATOM 0 HD3 LYS A 21 8.389 6.281 3.258 1.00 72.33 H new ATOM 0 HE2 LYS A 21 7.329 5.062 4.927 1.00 12.33 H new ATOM 0 HE3 LYS A 21 7.938 3.524 4.348 1.00 12.33 H new ATOM 0 HZ1 LYS A 21 9.012 4.097 6.398 1.00 71.13 H new ATOM 0 HZ2 LYS A 21 10.163 4.174 5.152 1.00 71.13 H new ATOM 0 HZ3 LYS A 21 9.506 5.604 5.789 1.00 71.13 H new ATOM 357 N ARG A 22 7.180 4.372 -1.015 1.00 43.33 N ATOM 358 CA ARG A 22 7.804 4.958 -2.196 1.00 23.23 C ATOM 359 C ARG A 22 6.850 4.933 -3.385 1.00 75.41 C ATOM 360 O ARG A 22 6.938 5.768 -4.284 1.00 51.55 O ATOM 361 CB ARG A 22 9.091 4.207 -2.545 1.00 34.34 C ATOM 362 CG ARG A 22 10.336 5.077 -2.499 1.00 72.40 C ATOM 363 CD ARG A 22 10.810 5.298 -1.071 1.00 41.03 C ATOM 364 NE ARG A 22 12.264 5.396 -0.987 1.00 11.12 N ATOM 365 CZ ARG A 22 12.911 5.806 0.098 1.00 2.25 C ATOM 366 NH1 ARG A 22 12.235 6.155 1.185 1.00 41.12 N ATOM 367 NH2 ARG A 22 14.237 5.869 0.099 1.00 13.54 N ATOM 0 H ARG A 22 7.531 3.447 -0.767 1.00 43.33 H new ATOM 0 HA ARG A 22 8.047 5.996 -1.970 1.00 23.23 H new ATOM 0 HB2 ARG A 22 9.214 3.374 -1.853 1.00 34.34 H new ATOM 0 HB3 ARG A 22 8.993 3.780 -3.543 1.00 34.34 H new ATOM 0 HG2 ARG A 22 11.131 4.607 -3.079 1.00 72.40 H new ATOM 0 HG3 ARG A 22 10.126 6.039 -2.967 1.00 72.40 H new ATOM 0 HD2 ARG A 22 10.362 6.210 -0.677 1.00 41.03 H new ATOM 0 HD3 ARG A 22 10.465 4.476 -0.443 1.00 41.03 H new ATOM 0 HE ARG A 22 12.813 5.135 -1.806 1.00 11.12 H new ATOM 0 HH11 ARG A 22 11.216 6.109 1.189 1.00 41.12 H new ATOM 0 HH12 ARG A 22 12.734 6.470 2.017 1.00 41.12 H new ATOM 0 HH21 ARG A 22 14.761 5.602 -0.735 1.00 13.54 H new ATOM 0 HH22 ARG A 22 14.732 6.184 0.933 1.00 13.54 H new ATOM 381 N VAL A 23 5.935 3.968 -3.382 1.00 61.45 N ATOM 382 CA VAL A 23 4.962 3.833 -4.460 1.00 63.23 C ATOM 383 C VAL A 23 3.764 4.749 -4.237 1.00 20.11 C ATOM 384 O VAL A 23 3.205 5.298 -5.187 1.00 74.42 O ATOM 385 CB VAL A 23 4.468 2.380 -4.592 1.00 33.15 C ATOM 386 CG1 VAL A 23 3.613 2.218 -5.839 1.00 72.45 C ATOM 387 CG2 VAL A 23 5.644 1.417 -4.612 1.00 62.51 C ATOM 0 H VAL A 23 5.847 3.268 -2.645 1.00 61.45 H new ATOM 0 HA VAL A 23 5.468 4.121 -5.381 1.00 63.23 H new ATOM 0 HB VAL A 23 3.851 2.144 -3.725 1.00 33.15 H new ATOM 0 HG11 VAL A 23 3.273 1.185 -5.915 1.00 72.45 H new ATOM 0 HG12 VAL A 23 2.750 2.880 -5.777 1.00 72.45 H new ATOM 0 HG13 VAL A 23 4.203 2.472 -6.720 1.00 72.45 H new ATOM 0 HG21 VAL A 23 5.276 0.395 -4.706 1.00 62.51 H new ATOM 0 HG22 VAL A 23 6.290 1.649 -5.459 1.00 62.51 H new ATOM 0 HG23 VAL A 23 6.210 1.515 -3.686 1.00 62.51 H new ATOM 397 N ILE A 24 3.377 4.910 -2.976 1.00 53.12 N ATOM 398 CA ILE A 24 2.246 5.761 -2.629 1.00 31.14 C ATOM 399 C ILE A 24 2.510 7.212 -3.014 1.00 3.02 C ATOM 400 O ILE A 24 1.580 7.978 -3.267 1.00 25.41 O ATOM 401 CB ILE A 24 1.931 5.691 -1.123 1.00 20.21 C ATOM 402 CG1 ILE A 24 1.623 4.250 -0.710 1.00 33.32 C ATOM 403 CG2 ILE A 24 0.765 6.606 -0.782 1.00 35.44 C ATOM 404 CD1 ILE A 24 1.318 4.096 0.763 1.00 62.42 C ATOM 0 H ILE A 24 3.830 4.463 -2.179 1.00 53.12 H new ATOM 0 HA ILE A 24 1.388 5.390 -3.190 1.00 31.14 H new ATOM 0 HB ILE A 24 2.806 6.029 -0.568 1.00 20.21 H new ATOM 0 HG12 ILE A 24 0.773 3.889 -1.289 1.00 33.32 H new ATOM 0 HG13 ILE A 24 2.474 3.618 -0.965 1.00 33.32 H new ATOM 0 HG21 ILE A 24 0.555 6.545 0.286 1.00 35.44 H new ATOM 0 HG22 ILE A 24 1.020 7.633 -1.044 1.00 35.44 H new ATOM 0 HG23 ILE A 24 -0.117 6.297 -1.343 1.00 35.44 H new ATOM 0 HD11 ILE A 24 1.109 3.049 0.984 1.00 62.42 H new ATOM 0 HD12 ILE A 24 2.176 4.426 1.349 1.00 62.42 H new ATOM 0 HD13 ILE A 24 0.449 4.701 1.020 1.00 62.42 H new ATOM 416 N ALA A 25 3.786 7.584 -3.059 1.00 34.33 N ATOM 417 CA ALA A 25 4.174 8.942 -3.418 1.00 14.14 C ATOM 418 C ALA A 25 4.264 9.106 -4.931 1.00 71.12 C ATOM 419 O ALA A 25 4.128 10.212 -5.456 1.00 34.45 O ATOM 420 CB ALA A 25 5.501 9.301 -2.767 1.00 11.54 C ATOM 0 H ALA A 25 4.568 6.963 -2.851 1.00 34.33 H new ATOM 0 HA ALA A 25 3.405 9.622 -3.050 1.00 14.14 H new ATOM 0 HB1 ALA A 25 5.779 10.318 -3.044 1.00 11.54 H new ATOM 0 HB2 ALA A 25 5.405 9.233 -1.683 1.00 11.54 H new ATOM 0 HB3 ALA A 25 6.272 8.609 -3.107 1.00 11.54 H new ATOM 426 N LEU A 26 4.494 7.999 -5.628 1.00 50.03 N ATOM 427 CA LEU A 26 4.602 8.020 -7.083 1.00 22.51 C ATOM 428 C LEU A 26 3.232 7.860 -7.734 1.00 64.10 C ATOM 429 O LEU A 26 2.972 8.413 -8.803 1.00 4.44 O ATOM 430 CB LEU A 26 5.539 6.908 -7.559 1.00 74.15 C ATOM 431 CG LEU A 26 6.912 7.356 -8.061 1.00 24.03 C ATOM 432 CD1 LEU A 26 6.780 8.120 -9.369 1.00 13.21 C ATOM 433 CD2 LEU A 26 7.610 8.208 -7.011 1.00 43.34 C ATOM 0 H LEU A 26 4.609 7.076 -5.210 1.00 50.03 H new ATOM 0 HA LEU A 26 5.013 8.985 -7.379 1.00 22.51 H new ATOM 0 HB2 LEU A 26 5.686 6.207 -6.737 1.00 74.15 H new ATOM 0 HB3 LEU A 26 5.043 6.360 -8.360 1.00 74.15 H new ATOM 0 HG LEU A 26 7.519 6.469 -8.243 1.00 24.03 H new ATOM 0 HD11 LEU A 26 7.768 8.430 -9.710 1.00 13.21 H new ATOM 0 HD12 LEU A 26 6.322 7.478 -10.121 1.00 13.21 H new ATOM 0 HD13 LEU A 26 6.156 9.000 -9.215 1.00 13.21 H new ATOM 0 HD21 LEU A 26 8.586 8.518 -7.384 1.00 43.34 H new ATOM 0 HD22 LEU A 26 7.006 9.090 -6.798 1.00 43.34 H new ATOM 0 HD23 LEU A 26 7.739 7.627 -6.098 1.00 43.34 H new ATOM 445 N LYS A 27 2.358 7.102 -7.081 1.00 52.33 N ATOM 446 CA LYS A 27 1.012 6.872 -7.593 1.00 63.34 C ATOM 447 C LYS A 27 0.028 7.880 -7.009 1.00 14.41 C ATOM 448 O LYS A 27 -0.777 8.468 -7.731 1.00 71.04 O ATOM 449 CB LYS A 27 0.555 5.449 -7.264 1.00 62.14 C ATOM 450 CG LYS A 27 -0.192 4.772 -8.400 1.00 44.21 C ATOM 451 CD LYS A 27 0.736 4.436 -9.556 1.00 43.44 C ATOM 452 CE LYS A 27 1.541 3.176 -9.277 1.00 73.14 C ATOM 453 NZ LYS A 27 1.768 2.378 -10.514 1.00 73.12 N ATOM 0 H LYS A 27 2.558 6.636 -6.196 1.00 52.33 H new ATOM 0 HA LYS A 27 1.036 6.999 -8.675 1.00 63.34 H new ATOM 0 HB2 LYS A 27 1.426 4.848 -7.004 1.00 62.14 H new ATOM 0 HB3 LYS A 27 -0.087 5.477 -6.384 1.00 62.14 H new ATOM 0 HG2 LYS A 27 -0.664 3.860 -8.034 1.00 44.21 H new ATOM 0 HG3 LYS A 27 -0.991 5.425 -8.752 1.00 44.21 H new ATOM 0 HD2 LYS A 27 0.151 4.301 -10.466 1.00 43.44 H new ATOM 0 HD3 LYS A 27 1.414 5.270 -9.734 1.00 43.44 H new ATOM 0 HE2 LYS A 27 2.501 3.448 -8.839 1.00 73.14 H new ATOM 0 HE3 LYS A 27 1.017 2.565 -8.542 1.00 73.14 H new ATOM 0 HZ1 LYS A 27 1.703 1.364 -10.290 1.00 73.12 H new ATOM 0 HZ2 LYS A 27 1.047 2.623 -11.222 1.00 73.12 H new ATOM 0 HZ3 LYS A 27 2.713 2.588 -10.894 1.00 73.12 H new ATOM 467 N LYS A 28 0.099 8.078 -5.697 1.00 72.31 N ATOM 468 CA LYS A 28 -0.784 9.017 -5.015 1.00 51.44 C ATOM 469 C LYS A 28 -2.247 8.669 -5.267 1.00 12.15 C ATOM 470 O LYS A 28 -2.949 9.342 -6.022 1.00 12.53 O ATOM 471 CB LYS A 28 -0.500 10.446 -5.483 1.00 15.34 C ATOM 472 CG LYS A 28 0.497 11.186 -4.608 1.00 43.45 C ATOM 473 CD LYS A 28 0.804 12.569 -5.160 1.00 22.54 C ATOM 474 CE LYS A 28 1.682 13.366 -4.207 1.00 31.22 C ATOM 475 NZ LYS A 28 0.981 13.669 -2.929 1.00 1.42 N ATOM 0 H LYS A 28 0.760 7.600 -5.084 1.00 72.31 H new ATOM 0 HA LYS A 28 -0.592 8.947 -3.944 1.00 51.44 H new ATOM 0 HB2 LYS A 28 -0.122 10.416 -6.505 1.00 15.34 H new ATOM 0 HB3 LYS A 28 -1.436 11.005 -5.506 1.00 15.34 H new ATOM 0 HG2 LYS A 28 0.099 11.277 -3.597 1.00 43.45 H new ATOM 0 HG3 LYS A 28 1.419 10.609 -4.537 1.00 43.45 H new ATOM 0 HD2 LYS A 28 1.304 12.475 -6.124 1.00 22.54 H new ATOM 0 HD3 LYS A 28 -0.127 13.107 -5.335 1.00 22.54 H new ATOM 0 HE2 LYS A 28 2.593 12.805 -3.997 1.00 31.22 H new ATOM 0 HE3 LYS A 28 1.984 14.298 -4.685 1.00 31.22 H new ATOM 0 HZ1 LYS A 28 1.478 14.437 -2.434 1.00 1.42 H new ATOM 0 HZ2 LYS A 28 0.004 13.963 -3.130 1.00 1.42 H new ATOM 0 HZ3 LYS A 28 0.970 12.820 -2.329 1.00 1.42 H new ATOM 489 N PRO A 29 -2.721 7.595 -4.620 1.00 20.42 N ATOM 490 CA PRO A 29 -4.107 7.135 -4.756 1.00 63.25 C ATOM 491 C PRO A 29 -5.100 8.089 -4.102 1.00 75.00 C ATOM 492 O PRO A 29 -4.710 9.044 -3.431 1.00 54.34 O ATOM 493 CB PRO A 29 -4.106 5.786 -4.033 1.00 2.12 C ATOM 494 CG PRO A 29 -2.987 5.882 -3.054 1.00 24.01 C ATOM 495 CD PRO A 29 -1.941 6.746 -3.703 1.00 74.34 C ATOM 0 HA PRO A 29 -4.416 7.074 -5.800 1.00 63.25 H new ATOM 0 HB2 PRO A 29 -5.057 5.605 -3.531 1.00 2.12 H new ATOM 0 HB3 PRO A 29 -3.952 4.963 -4.731 1.00 2.12 H new ATOM 0 HG2 PRO A 29 -3.327 6.319 -2.115 1.00 24.01 H new ATOM 0 HG3 PRO A 29 -2.588 4.895 -2.820 1.00 24.01 H new ATOM 0 HD2 PRO A 29 -1.399 7.341 -2.968 1.00 74.34 H new ATOM 0 HD3 PRO A 29 -1.202 6.149 -4.238 1.00 74.34 H new ATOM 503 N SER A 30 -6.388 7.823 -4.303 1.00 0.20 N ATOM 504 CA SER A 30 -7.439 8.660 -3.735 1.00 3.23 C ATOM 505 C SER A 30 -8.425 7.822 -2.929 1.00 32.12 C ATOM 506 O SER A 30 -9.634 8.046 -2.980 1.00 73.33 O ATOM 507 CB SER A 30 -8.177 9.411 -4.845 1.00 62.42 C ATOM 508 OG SER A 30 -8.603 10.687 -4.401 1.00 11.30 O ATOM 0 H SER A 30 -6.728 7.035 -4.854 1.00 0.20 H new ATOM 0 HA SER A 30 -6.972 9.383 -3.065 1.00 3.23 H new ATOM 0 HB2 SER A 30 -7.523 9.523 -5.710 1.00 62.42 H new ATOM 0 HB3 SER A 30 -9.039 8.829 -5.171 1.00 62.42 H new ATOM 0 HG SER A 30 -9.070 11.147 -5.129 1.00 11.30 H new ATOM 514 N ALA A 31 -7.900 6.854 -2.184 1.00 11.44 N ATOM 515 CA ALA A 31 -8.733 5.983 -1.365 1.00 20.44 C ATOM 516 C ALA A 31 -9.759 5.244 -2.217 1.00 51.21 C ATOM 517 O ALA A 31 -10.922 5.642 -2.289 1.00 53.21 O ATOM 518 CB ALA A 31 -9.429 6.787 -0.277 1.00 43.52 C ATOM 0 H ALA A 31 -6.901 6.654 -2.131 1.00 11.44 H new ATOM 0 HA ALA A 31 -8.087 5.241 -0.896 1.00 20.44 H new ATOM 0 HB1 ALA A 31 -10.048 6.123 0.327 1.00 43.52 H new ATOM 0 HB2 ALA A 31 -8.682 7.264 0.358 1.00 43.52 H new ATOM 0 HB3 ALA A 31 -10.057 7.551 -0.735 1.00 43.52 H new ATOM 524 N SER A 32 -9.321 4.168 -2.863 1.00 12.22 N ATOM 525 CA SER A 32 -10.201 3.377 -3.715 1.00 31.11 C ATOM 526 C SER A 32 -9.572 2.025 -4.039 1.00 14.01 C ATOM 527 O SER A 32 -8.373 1.933 -4.300 1.00 3.13 O ATOM 528 CB SER A 32 -10.509 4.133 -5.008 1.00 71.24 C ATOM 529 OG SER A 32 -11.602 3.547 -5.694 1.00 1.12 O ATOM 0 H SER A 32 -8.362 3.824 -2.813 1.00 12.22 H new ATOM 0 HA SER A 32 -11.131 3.205 -3.174 1.00 31.11 H new ATOM 0 HB2 SER A 32 -10.736 5.174 -4.779 1.00 71.24 H new ATOM 0 HB3 SER A 32 -9.629 4.132 -5.652 1.00 71.24 H new ATOM 0 HG SER A 32 -11.780 4.050 -6.516 1.00 1.12 H new ATOM 535 N ASP A 33 -10.391 0.980 -4.021 1.00 21.21 N ATOM 536 CA ASP A 33 -9.917 -0.368 -4.314 1.00 61.42 C ATOM 537 C ASP A 33 -9.158 -0.402 -5.638 1.00 10.34 C ATOM 538 O ASP A 33 -8.119 -1.050 -5.752 1.00 22.22 O ATOM 539 CB ASP A 33 -11.092 -1.347 -4.360 1.00 41.01 C ATOM 540 CG ASP A 33 -11.165 -2.222 -3.124 1.00 75.04 C ATOM 541 OD1 ASP A 33 -11.187 -1.667 -2.006 1.00 23.42 O ATOM 542 OD2 ASP A 33 -11.201 -3.461 -3.276 1.00 32.44 O ATOM 0 H ASP A 33 -11.386 1.040 -3.807 1.00 21.21 H new ATOM 0 HA ASP A 33 -9.236 -0.668 -3.518 1.00 61.42 H new ATOM 0 HB2 ASP A 33 -12.023 -0.789 -4.462 1.00 41.01 H new ATOM 0 HB3 ASP A 33 -11.001 -1.978 -5.244 1.00 41.01 H new ATOM 547 N ALA A 34 -9.687 0.302 -6.634 1.00 25.34 N ATOM 548 CA ALA A 34 -9.059 0.354 -7.948 1.00 73.31 C ATOM 549 C ALA A 34 -7.793 1.203 -7.920 1.00 5.21 C ATOM 550 O ALA A 34 -6.776 0.839 -8.511 1.00 75.42 O ATOM 551 CB ALA A 34 -10.037 0.896 -8.980 1.00 33.15 C ATOM 0 H ALA A 34 -10.548 0.843 -6.556 1.00 25.34 H new ATOM 0 HA ALA A 34 -8.778 -0.661 -8.228 1.00 73.31 H new ATOM 0 HB1 ALA A 34 -9.554 0.929 -9.957 1.00 33.15 H new ATOM 0 HB2 ALA A 34 -10.911 0.247 -9.029 1.00 33.15 H new ATOM 0 HB3 ALA A 34 -10.347 1.901 -8.694 1.00 33.15 H new ATOM 557 N ASP A 35 -7.862 2.336 -7.229 1.00 21.20 N ATOM 558 CA ASP A 35 -6.721 3.237 -7.123 1.00 44.24 C ATOM 559 C ASP A 35 -5.539 2.542 -6.454 1.00 11.33 C ATOM 560 O ASP A 35 -4.393 2.703 -6.874 1.00 71.33 O ATOM 561 CB ASP A 35 -7.105 4.490 -6.334 1.00 21.12 C ATOM 562 CG ASP A 35 -8.032 5.402 -7.112 1.00 14.24 C ATOM 563 OD1 ASP A 35 -8.721 4.906 -8.029 1.00 25.14 O ATOM 564 OD2 ASP A 35 -8.071 6.613 -6.805 1.00 23.33 O ATOM 0 H ASP A 35 -8.696 2.652 -6.734 1.00 21.20 H new ATOM 0 HA ASP A 35 -6.425 3.528 -8.131 1.00 44.24 H new ATOM 0 HB2 ASP A 35 -7.588 4.195 -5.402 1.00 21.12 H new ATOM 0 HB3 ASP A 35 -6.202 5.038 -6.066 1.00 21.12 H new ATOM 569 N TRP A 36 -5.827 1.771 -5.412 1.00 42.31 N ATOM 570 CA TRP A 36 -4.787 1.052 -4.684 1.00 70.22 C ATOM 571 C TRP A 36 -4.176 -0.045 -5.549 1.00 0.04 C ATOM 572 O TRP A 36 -3.027 -0.441 -5.348 1.00 74.32 O ATOM 573 CB TRP A 36 -5.359 0.447 -3.401 1.00 72.01 C ATOM 574 CG TRP A 36 -5.196 1.332 -2.203 1.00 22.24 C ATOM 575 CD1 TRP A 36 -6.163 2.089 -1.605 1.00 11.03 C ATOM 576 CD2 TRP A 36 -3.993 1.553 -1.458 1.00 11.24 C ATOM 577 NE1 TRP A 36 -5.634 2.768 -0.534 1.00 73.42 N ATOM 578 CE2 TRP A 36 -4.305 2.455 -0.421 1.00 40.25 C ATOM 579 CE3 TRP A 36 -2.685 1.076 -1.564 1.00 22.32 C ATOM 580 CZ2 TRP A 36 -3.354 2.888 0.498 1.00 10.13 C ATOM 581 CZ3 TRP A 36 -1.742 1.506 -0.650 1.00 24.12 C ATOM 582 CH2 TRP A 36 -2.081 2.405 0.371 1.00 24.41 C ATOM 0 H TRP A 36 -6.771 1.627 -5.052 1.00 42.31 H new ATOM 0 HA TRP A 36 -4.003 1.763 -4.424 1.00 70.22 H new ATOM 0 HB2 TRP A 36 -6.419 0.238 -3.548 1.00 72.01 H new ATOM 0 HB3 TRP A 36 -4.869 -0.507 -3.208 1.00 72.01 H new ATOM 0 HD1 TRP A 36 -7.192 2.146 -1.927 1.00 11.03 H new ATOM 0 HE1 TRP A 36 -6.148 3.402 0.078 1.00 73.42 H new ATOM 0 HE3 TRP A 36 -2.415 0.383 -2.347 1.00 22.32 H new ATOM 0 HZ2 TRP A 36 -3.612 3.582 1.284 1.00 10.13 H new ATOM 0 HZ3 TRP A 36 -0.727 1.144 -0.723 1.00 24.12 H new ATOM 0 HH2 TRP A 36 -1.322 2.722 1.071 1.00 24.41 H new ATOM 593 N THR A 37 -4.950 -0.533 -6.512 1.00 53.24 N ATOM 594 CA THR A 37 -4.486 -1.585 -7.408 1.00 5.21 C ATOM 595 C THR A 37 -3.203 -1.174 -8.121 1.00 5.51 C ATOM 596 O THR A 37 -2.368 -2.015 -8.450 1.00 4.43 O ATOM 597 CB THR A 37 -5.553 -1.939 -8.460 1.00 62.24 C ATOM 598 OG1 THR A 37 -6.835 -2.063 -7.835 1.00 43.05 O ATOM 599 CG2 THR A 37 -5.202 -3.239 -9.171 1.00 43.44 C ATOM 0 H THR A 37 -5.903 -0.216 -6.692 1.00 53.24 H new ATOM 0 HA THR A 37 -4.291 -2.462 -6.790 1.00 5.21 H new ATOM 0 HB THR A 37 -5.585 -1.137 -9.197 1.00 62.24 H new ATOM 0 HG1 THR A 37 -6.766 -1.805 -6.892 1.00 43.05 H new ATOM 0 HG21 THR A 37 -5.970 -3.469 -9.909 1.00 43.44 H new ATOM 0 HG22 THR A 37 -4.239 -3.132 -9.670 1.00 43.44 H new ATOM 0 HG23 THR A 37 -5.145 -4.048 -8.443 1.00 43.44 H new ATOM 607 N GLU A 38 -3.052 0.126 -8.355 1.00 3.52 N ATOM 608 CA GLU A 38 -1.870 0.649 -9.029 1.00 25.21 C ATOM 609 C GLU A 38 -0.624 0.461 -8.167 1.00 3.34 C ATOM 610 O GLU A 38 0.389 -0.065 -8.626 1.00 22.14 O ATOM 611 CB GLU A 38 -2.056 2.132 -9.359 1.00 31.50 C ATOM 612 CG GLU A 38 -3.196 2.400 -10.327 1.00 3.34 C ATOM 613 CD GLU A 38 -3.227 3.838 -10.806 1.00 5.51 C ATOM 614 OE1 GLU A 38 -2.289 4.246 -11.522 1.00 64.54 O ATOM 615 OE2 GLU A 38 -4.191 4.556 -10.465 1.00 4.41 O ATOM 0 H GLU A 38 -3.734 0.836 -8.088 1.00 3.52 H new ATOM 0 HA GLU A 38 -1.737 0.092 -9.957 1.00 25.21 H new ATOM 0 HB2 GLU A 38 -2.238 2.681 -8.435 1.00 31.50 H new ATOM 0 HB3 GLU A 38 -1.130 2.520 -9.784 1.00 31.50 H new ATOM 0 HG2 GLU A 38 -3.102 1.736 -11.187 1.00 3.34 H new ATOM 0 HG3 GLU A 38 -4.143 2.162 -9.843 1.00 3.34 H new ATOM 622 N VAL A 39 -0.709 0.898 -6.914 1.00 24.35 N ATOM 623 CA VAL A 39 0.410 0.779 -5.985 1.00 72.44 C ATOM 624 C VAL A 39 0.649 -0.677 -5.597 1.00 43.14 C ATOM 625 O VAL A 39 1.793 -1.123 -5.495 1.00 60.24 O ATOM 626 CB VAL A 39 0.171 1.606 -4.709 1.00 30.31 C ATOM 627 CG1 VAL A 39 1.330 1.437 -3.738 1.00 13.31 C ATOM 628 CG2 VAL A 39 -0.036 3.073 -5.056 1.00 63.41 C ATOM 0 H VAL A 39 -1.540 1.337 -6.519 1.00 24.35 H new ATOM 0 HA VAL A 39 1.290 1.165 -6.499 1.00 72.44 H new ATOM 0 HB VAL A 39 -0.734 1.240 -4.224 1.00 30.31 H new ATOM 0 HG11 VAL A 39 1.143 2.029 -2.842 1.00 13.31 H new ATOM 0 HG12 VAL A 39 1.426 0.386 -3.465 1.00 13.31 H new ATOM 0 HG13 VAL A 39 2.253 1.775 -4.210 1.00 13.31 H new ATOM 0 HG21 VAL A 39 -0.204 3.643 -4.142 1.00 63.41 H new ATOM 0 HG22 VAL A 39 0.849 3.455 -5.565 1.00 63.41 H new ATOM 0 HG23 VAL A 39 -0.902 3.173 -5.710 1.00 63.41 H new ATOM 638 N LEU A 40 -0.436 -1.412 -5.384 1.00 2.13 N ATOM 639 CA LEU A 40 -0.345 -2.819 -5.008 1.00 4.41 C ATOM 640 C LEU A 40 0.111 -3.670 -6.189 1.00 11.21 C ATOM 641 O LEU A 40 0.589 -4.791 -6.010 1.00 50.35 O ATOM 642 CB LEU A 40 -1.697 -3.319 -4.496 1.00 4.30 C ATOM 643 CG LEU A 40 -1.876 -4.837 -4.445 1.00 2.31 C ATOM 644 CD1 LEU A 40 -1.011 -5.439 -3.350 1.00 23.34 C ATOM 645 CD2 LEU A 40 -3.339 -5.194 -4.228 1.00 63.01 C ATOM 0 H LEU A 40 -1.389 -1.058 -5.465 1.00 2.13 H new ATOM 0 HA LEU A 40 0.394 -2.910 -4.212 1.00 4.41 H new ATOM 0 HB2 LEU A 40 -1.853 -2.921 -3.493 1.00 4.30 H new ATOM 0 HB3 LEU A 40 -2.480 -2.902 -5.130 1.00 4.30 H new ATOM 0 HG LEU A 40 -1.559 -5.254 -5.401 1.00 2.31 H new ATOM 0 HD11 LEU A 40 -1.151 -6.520 -3.328 1.00 23.34 H new ATOM 0 HD12 LEU A 40 0.037 -5.213 -3.548 1.00 23.34 H new ATOM 0 HD13 LEU A 40 -1.297 -5.017 -2.387 1.00 23.34 H new ATOM 0 HD21 LEU A 40 -3.448 -6.278 -4.194 1.00 63.01 H new ATOM 0 HD22 LEU A 40 -3.682 -4.765 -3.286 1.00 63.01 H new ATOM 0 HD23 LEU A 40 -3.936 -4.795 -5.048 1.00 63.01 H new ATOM 657 N ARG A 41 -0.040 -3.130 -7.393 1.00 65.24 N ATOM 658 CA ARG A 41 0.357 -3.839 -8.604 1.00 10.01 C ATOM 659 C ARG A 41 1.861 -4.099 -8.613 1.00 61.21 C ATOM 660 O ARG A 41 2.332 -5.060 -9.223 1.00 31.31 O ATOM 661 CB ARG A 41 -0.040 -3.037 -9.844 1.00 20.11 C ATOM 662 CG ARG A 41 -1.183 -3.658 -10.631 1.00 33.52 C ATOM 663 CD ARG A 41 -0.709 -4.202 -11.969 1.00 10.35 C ATOM 664 NE ARG A 41 -0.018 -5.480 -11.826 1.00 62.30 N ATOM 665 CZ ARG A 41 0.145 -6.343 -12.824 1.00 0.53 C ATOM 666 NH1 ARG A 41 -0.330 -6.065 -14.030 1.00 12.43 N ATOM 667 NH2 ARG A 41 0.786 -7.486 -12.616 1.00 32.45 N ATOM 0 H ARG A 41 -0.434 -2.204 -7.557 1.00 65.24 H new ATOM 0 HA ARG A 41 -0.161 -4.798 -8.620 1.00 10.01 H new ATOM 0 HB2 ARG A 41 -0.325 -2.030 -9.539 1.00 20.11 H new ATOM 0 HB3 ARG A 41 0.828 -2.939 -10.496 1.00 20.11 H new ATOM 0 HG2 ARG A 41 -1.632 -4.463 -10.049 1.00 33.52 H new ATOM 0 HG3 ARG A 41 -1.960 -2.912 -10.795 1.00 33.52 H new ATOM 0 HD2 ARG A 41 -1.564 -4.325 -12.634 1.00 10.35 H new ATOM 0 HD3 ARG A 41 -0.041 -3.479 -12.438 1.00 10.35 H new ATOM 0 HE ARG A 41 0.360 -5.724 -10.911 1.00 62.30 H new ATOM 0 HH11 ARG A 41 -0.822 -5.187 -14.194 1.00 12.43 H new ATOM 0 HH12 ARG A 41 -0.203 -6.729 -14.794 1.00 12.43 H new ATOM 0 HH21 ARG A 41 1.154 -7.703 -11.690 1.00 32.45 H new ATOM 0 HH22 ARG A 41 0.911 -8.148 -13.382 1.00 32.45 H new ATOM 681 N LEU A 42 2.609 -3.237 -7.935 1.00 1.23 N ATOM 682 CA LEU A 42 4.060 -3.372 -7.864 1.00 70.12 C ATOM 683 C LEU A 42 4.464 -4.337 -6.755 1.00 23.40 C ATOM 684 O LEU A 42 5.157 -5.326 -6.999 1.00 33.23 O ATOM 685 CB LEU A 42 4.709 -2.007 -7.630 1.00 74.04 C ATOM 686 CG LEU A 42 4.864 -1.117 -8.864 1.00 52.22 C ATOM 687 CD1 LEU A 42 3.557 -0.405 -9.175 1.00 53.43 C ATOM 688 CD2 LEU A 42 5.986 -0.109 -8.657 1.00 30.41 C ATOM 0 H LEU A 42 2.235 -2.436 -7.426 1.00 1.23 H new ATOM 0 HA LEU A 42 4.409 -3.775 -8.815 1.00 70.12 H new ATOM 0 HB2 LEU A 42 4.118 -1.468 -6.890 1.00 74.04 H new ATOM 0 HB3 LEU A 42 5.696 -2.166 -7.195 1.00 74.04 H new ATOM 0 HG LEU A 42 5.122 -1.749 -9.714 1.00 52.22 H new ATOM 0 HD11 LEU A 42 3.686 0.224 -10.056 1.00 53.43 H new ATOM 0 HD12 LEU A 42 2.778 -1.142 -9.366 1.00 53.43 H new ATOM 0 HD13 LEU A 42 3.269 0.215 -8.326 1.00 53.43 H new ATOM 0 HD21 LEU A 42 6.082 0.516 -9.545 1.00 30.41 H new ATOM 0 HD22 LEU A 42 5.757 0.518 -7.795 1.00 30.41 H new ATOM 0 HD23 LEU A 42 6.923 -0.638 -8.483 1.00 30.41 H new ATOM 700 N LEU A 43 4.026 -4.045 -5.535 1.00 73.21 N ATOM 701 CA LEU A 43 4.339 -4.889 -4.387 1.00 1.20 C ATOM 702 C LEU A 43 3.689 -6.261 -4.526 1.00 65.23 C ATOM 703 O LEU A 43 4.039 -7.199 -3.810 1.00 24.32 O ATOM 704 CB LEU A 43 3.871 -4.218 -3.094 1.00 70.24 C ATOM 705 CG LEU A 43 4.902 -4.135 -1.969 1.00 3.02 C ATOM 706 CD1 LEU A 43 4.349 -3.343 -0.795 1.00 24.11 C ATOM 707 CD2 LEU A 43 5.321 -5.529 -1.524 1.00 74.32 C ATOM 0 H LEU A 43 3.453 -3.230 -5.315 1.00 73.21 H new ATOM 0 HA LEU A 43 5.420 -5.023 -4.349 1.00 1.20 H new ATOM 0 HB2 LEU A 43 3.541 -3.207 -3.332 1.00 70.24 H new ATOM 0 HB3 LEU A 43 3.000 -4.758 -2.722 1.00 70.24 H new ATOM 0 HG LEU A 43 5.783 -3.617 -2.348 1.00 3.02 H new ATOM 0 HD11 LEU A 43 5.097 -3.295 -0.004 1.00 24.11 H new ATOM 0 HD12 LEU A 43 4.101 -2.333 -1.122 1.00 24.11 H new ATOM 0 HD13 LEU A 43 3.452 -3.832 -0.416 1.00 24.11 H new ATOM 0 HD21 LEU A 43 6.055 -5.450 -0.722 1.00 74.32 H new ATOM 0 HD22 LEU A 43 4.448 -6.074 -1.164 1.00 74.32 H new ATOM 0 HD23 LEU A 43 5.760 -6.063 -2.367 1.00 74.32 H new ATOM 719 N ALA A 44 2.744 -6.372 -5.453 1.00 25.11 N ATOM 720 CA ALA A 44 2.050 -7.631 -5.689 1.00 54.10 C ATOM 721 C ALA A 44 3.038 -8.772 -5.905 1.00 14.12 C ATOM 722 O ALA A 44 2.736 -9.931 -5.621 1.00 21.25 O ATOM 723 CB ALA A 44 1.118 -7.504 -6.886 1.00 1.22 C ATOM 0 H ALA A 44 2.441 -5.605 -6.053 1.00 25.11 H new ATOM 0 HA ALA A 44 1.458 -7.861 -4.803 1.00 54.10 H new ATOM 0 HB1 ALA A 44 0.606 -8.452 -7.051 1.00 1.22 H new ATOM 0 HB2 ALA A 44 0.382 -6.723 -6.693 1.00 1.22 H new ATOM 0 HB3 ALA A 44 1.697 -7.246 -7.772 1.00 1.22 H new ATOM 729 N LYS A 45 4.220 -8.437 -6.410 1.00 42.44 N ATOM 730 CA LYS A 45 5.255 -9.433 -6.665 1.00 15.42 C ATOM 731 C LYS A 45 5.576 -10.218 -5.397 1.00 71.12 C ATOM 732 O LYS A 45 6.056 -11.349 -5.463 1.00 12.01 O ATOM 733 CB LYS A 45 6.521 -8.758 -7.194 1.00 41.24 C ATOM 734 CG LYS A 45 6.755 -8.983 -8.678 1.00 41.12 C ATOM 735 CD LYS A 45 6.864 -7.668 -9.431 1.00 53.42 C ATOM 736 CE LYS A 45 8.236 -7.036 -9.256 1.00 0.35 C ATOM 737 NZ LYS A 45 8.444 -5.893 -10.189 1.00 33.30 N ATOM 0 H LYS A 45 4.486 -7.482 -6.651 1.00 42.44 H new ATOM 0 HA LYS A 45 4.880 -10.127 -7.417 1.00 15.42 H new ATOM 0 HB2 LYS A 45 6.459 -7.687 -7.003 1.00 41.24 H new ATOM 0 HB3 LYS A 45 7.381 -9.131 -6.638 1.00 41.24 H new ATOM 0 HG2 LYS A 45 7.668 -9.561 -8.820 1.00 41.12 H new ATOM 0 HG3 LYS A 45 5.937 -9.573 -9.091 1.00 41.12 H new ATOM 0 HD2 LYS A 45 6.673 -7.838 -10.491 1.00 53.42 H new ATOM 0 HD3 LYS A 45 6.097 -6.980 -9.075 1.00 53.42 H new ATOM 0 HE2 LYS A 45 8.348 -6.691 -8.228 1.00 0.35 H new ATOM 0 HE3 LYS A 45 9.007 -7.788 -9.426 1.00 0.35 H new ATOM 0 HZ1 LYS A 45 9.391 -5.490 -10.038 1.00 33.30 H new ATOM 0 HZ2 LYS A 45 8.362 -6.227 -11.171 1.00 33.30 H new ATOM 0 HZ3 LYS A 45 7.725 -5.164 -10.010 1.00 33.30 H new ATOM 751 N GLU A 46 5.307 -9.611 -4.245 1.00 41.21 N ATOM 752 CA GLU A 46 5.568 -10.255 -2.964 1.00 72.45 C ATOM 753 C GLU A 46 4.312 -10.943 -2.435 1.00 54.50 C ATOM 754 O GLU A 46 4.155 -11.130 -1.229 1.00 21.22 O ATOM 755 CB GLU A 46 6.070 -9.231 -1.945 1.00 2.23 C ATOM 756 CG GLU A 46 7.451 -9.546 -1.395 1.00 12.32 C ATOM 757 CD GLU A 46 7.656 -9.009 0.008 1.00 44.41 C ATOM 758 OE1 GLU A 46 6.810 -9.295 0.881 1.00 15.35 O ATOM 759 OE2 GLU A 46 8.662 -8.305 0.234 1.00 12.32 O ATOM 0 H GLU A 46 4.909 -8.675 -4.173 1.00 41.21 H new ATOM 0 HA GLU A 46 6.338 -11.011 -3.117 1.00 72.45 H new ATOM 0 HB2 GLU A 46 6.090 -8.246 -2.412 1.00 2.23 H new ATOM 0 HB3 GLU A 46 5.362 -9.177 -1.118 1.00 2.23 H new ATOM 0 HG2 GLU A 46 7.599 -10.626 -1.392 1.00 12.32 H new ATOM 0 HG3 GLU A 46 8.207 -9.122 -2.056 1.00 12.32 H new ATOM 766 N GLY A 47 3.419 -11.314 -3.347 1.00 21.52 N ATOM 767 CA GLY A 47 2.188 -11.975 -2.954 1.00 33.03 C ATOM 768 C GLY A 47 1.434 -11.208 -1.884 1.00 25.11 C ATOM 769 O GLY A 47 1.030 -11.778 -0.871 1.00 34.10 O ATOM 0 H GLY A 47 3.526 -11.169 -4.351 1.00 21.52 H new ATOM 0 HA2 GLY A 47 1.549 -12.096 -3.829 1.00 33.03 H new ATOM 0 HA3 GLY A 47 2.418 -12.975 -2.586 1.00 33.03 H new ATOM 773 N VAL A 48 1.248 -9.912 -2.108 1.00 42.42 N ATOM 774 CA VAL A 48 0.539 -9.065 -1.155 1.00 60.34 C ATOM 775 C VAL A 48 -0.965 -9.302 -1.223 1.00 51.21 C ATOM 776 O VAL A 48 -1.517 -9.552 -2.295 1.00 53.52 O ATOM 777 CB VAL A 48 0.826 -7.573 -1.409 1.00 31.41 C ATOM 778 CG1 VAL A 48 0.044 -6.706 -0.433 1.00 62.00 C ATOM 779 CG2 VAL A 48 2.317 -7.293 -1.307 1.00 64.25 C ATOM 0 H VAL A 48 1.578 -9.425 -2.941 1.00 42.42 H new ATOM 0 HA VAL A 48 0.901 -9.332 -0.162 1.00 60.34 H new ATOM 0 HB VAL A 48 0.502 -7.325 -2.420 1.00 31.41 H new ATOM 0 HG11 VAL A 48 0.259 -5.655 -0.627 1.00 62.00 H new ATOM 0 HG12 VAL A 48 -1.023 -6.887 -0.560 1.00 62.00 H new ATOM 0 HG13 VAL A 48 0.335 -6.954 0.588 1.00 62.00 H new ATOM 0 HG21 VAL A 48 2.502 -6.234 -1.489 1.00 64.25 H new ATOM 0 HG22 VAL A 48 2.669 -7.556 -0.310 1.00 64.25 H new ATOM 0 HG23 VAL A 48 2.850 -7.887 -2.049 1.00 64.25 H new ATOM 789 N VAL A 49 -1.624 -9.220 -0.072 1.00 73.30 N ATOM 790 CA VAL A 49 -3.066 -9.424 0.000 1.00 50.44 C ATOM 791 C VAL A 49 -3.811 -8.361 -0.801 1.00 33.33 C ATOM 792 O VAL A 49 -3.210 -7.413 -1.302 1.00 4.34 O ATOM 793 CB VAL A 49 -3.566 -9.397 1.456 1.00 44.22 C ATOM 794 CG1 VAL A 49 -3.097 -10.637 2.203 1.00 0.34 C ATOM 795 CG2 VAL A 49 -3.095 -8.132 2.157 1.00 71.21 C ATOM 0 H VAL A 49 -1.182 -9.014 0.824 1.00 73.30 H new ATOM 0 HA VAL A 49 -3.268 -10.406 -0.427 1.00 50.44 H new ATOM 0 HB VAL A 49 -4.656 -9.396 1.449 1.00 44.22 H new ATOM 0 HG11 VAL A 49 -3.459 -10.602 3.230 1.00 0.34 H new ATOM 0 HG12 VAL A 49 -3.488 -11.528 1.711 1.00 0.34 H new ATOM 0 HG13 VAL A 49 -2.008 -10.671 2.203 1.00 0.34 H new ATOM 0 HG21 VAL A 49 -3.457 -8.129 3.185 1.00 71.21 H new ATOM 0 HG22 VAL A 49 -2.005 -8.100 2.156 1.00 71.21 H new ATOM 0 HG23 VAL A 49 -3.484 -7.259 1.633 1.00 71.21 H new ATOM 805 N GLU A 50 -5.126 -8.527 -0.916 1.00 64.42 N ATOM 806 CA GLU A 50 -5.953 -7.582 -1.656 1.00 60.13 C ATOM 807 C GLU A 50 -5.665 -6.149 -1.218 1.00 72.53 C ATOM 808 O GLU A 50 -5.170 -5.896 -0.120 1.00 32.01 O ATOM 809 CB GLU A 50 -7.435 -7.902 -1.455 1.00 50.45 C ATOM 810 CG GLU A 50 -7.796 -8.238 -0.018 1.00 61.31 C ATOM 811 CD GLU A 50 -8.107 -9.709 0.176 1.00 24.02 C ATOM 812 OE1 GLU A 50 -7.270 -10.549 -0.220 1.00 52.13 O ATOM 813 OE2 GLU A 50 -9.184 -10.022 0.724 1.00 3.12 O ATOM 0 H GLU A 50 -5.640 -9.307 -0.506 1.00 64.42 H new ATOM 0 HA GLU A 50 -5.710 -7.675 -2.714 1.00 60.13 H new ATOM 0 HB2 GLU A 50 -8.030 -7.048 -1.780 1.00 50.45 H new ATOM 0 HB3 GLU A 50 -7.707 -8.742 -2.095 1.00 50.45 H new ATOM 0 HG2 GLU A 50 -6.971 -7.956 0.636 1.00 61.31 H new ATOM 0 HG3 GLU A 50 -8.659 -7.645 0.284 1.00 61.31 H new ATOM 820 N PRO A 51 -5.983 -5.187 -2.097 1.00 11.11 N ATOM 821 CA PRO A 51 -5.769 -3.763 -1.824 1.00 43.01 C ATOM 822 C PRO A 51 -6.712 -3.230 -0.751 1.00 11.34 C ATOM 823 O PRO A 51 -6.343 -2.356 0.034 1.00 52.14 O ATOM 824 CB PRO A 51 -6.060 -3.096 -3.170 1.00 43.14 C ATOM 825 CG PRO A 51 -6.980 -4.036 -3.869 1.00 33.44 C ATOM 826 CD PRO A 51 -6.578 -5.416 -3.425 1.00 42.11 C ATOM 0 HA PRO A 51 -4.766 -3.568 -1.444 1.00 43.01 H new ATOM 0 HB2 PRO A 51 -6.521 -2.118 -3.035 1.00 43.14 H new ATOM 0 HB3 PRO A 51 -5.144 -2.941 -3.741 1.00 43.14 H new ATOM 0 HG2 PRO A 51 -8.019 -3.830 -3.611 1.00 33.44 H new ATOM 0 HG3 PRO A 51 -6.894 -3.934 -4.951 1.00 33.44 H new ATOM 0 HD2 PRO A 51 -7.436 -6.087 -3.371 1.00 42.11 H new ATOM 0 HD3 PRO A 51 -5.863 -5.867 -4.113 1.00 42.11 H new ATOM 834 N GLU A 52 -7.930 -3.762 -0.722 1.00 61.22 N ATOM 835 CA GLU A 52 -8.925 -3.339 0.256 1.00 70.11 C ATOM 836 C GLU A 52 -8.358 -3.397 1.671 1.00 64.43 C ATOM 837 O GLU A 52 -8.725 -2.600 2.533 1.00 22.44 O ATOM 838 CB GLU A 52 -10.174 -4.218 0.158 1.00 11.54 C ATOM 839 CG GLU A 52 -11.338 -3.715 0.996 1.00 31.25 C ATOM 840 CD GLU A 52 -11.659 -4.635 2.159 1.00 30.14 C ATOM 841 OE1 GLU A 52 -10.770 -4.849 3.008 1.00 23.23 O ATOM 842 OE2 GLU A 52 -12.800 -5.139 2.219 1.00 65.24 O ATOM 0 H GLU A 52 -8.251 -4.486 -1.364 1.00 61.22 H new ATOM 0 HA GLU A 52 -9.197 -2.307 0.036 1.00 70.11 H new ATOM 0 HB2 GLU A 52 -10.486 -4.277 -0.885 1.00 11.54 H new ATOM 0 HB3 GLU A 52 -9.921 -5.231 0.472 1.00 11.54 H new ATOM 0 HG2 GLU A 52 -11.104 -2.721 1.377 1.00 31.25 H new ATOM 0 HG3 GLU A 52 -12.220 -3.614 0.363 1.00 31.25 H new ATOM 849 N VAL A 53 -7.458 -4.350 1.903 1.00 41.12 N ATOM 850 CA VAL A 53 -6.838 -4.514 3.212 1.00 13.01 C ATOM 851 C VAL A 53 -5.606 -3.629 3.351 1.00 3.41 C ATOM 852 O VAL A 53 -5.423 -2.954 4.365 1.00 73.33 O ATOM 853 CB VAL A 53 -6.436 -5.979 3.462 1.00 61.21 C ATOM 854 CG1 VAL A 53 -5.769 -6.125 4.822 1.00 53.24 C ATOM 855 CG2 VAL A 53 -7.649 -6.890 3.353 1.00 24.43 C ATOM 0 H VAL A 53 -7.143 -5.019 1.201 1.00 41.12 H new ATOM 0 HA VAL A 53 -7.580 -4.217 3.953 1.00 13.01 H new ATOM 0 HB VAL A 53 -5.718 -6.276 2.698 1.00 61.21 H new ATOM 0 HG11 VAL A 53 -5.492 -7.167 4.981 1.00 53.24 H new ATOM 0 HG12 VAL A 53 -4.875 -5.502 4.858 1.00 53.24 H new ATOM 0 HG13 VAL A 53 -6.462 -5.810 5.603 1.00 53.24 H new ATOM 0 HG21 VAL A 53 -7.347 -7.922 3.533 1.00 24.43 H new ATOM 0 HG22 VAL A 53 -8.393 -6.596 4.094 1.00 24.43 H new ATOM 0 HG23 VAL A 53 -8.078 -6.806 2.355 1.00 24.43 H new ATOM 865 N VAL A 54 -4.760 -3.634 2.325 1.00 40.20 N ATOM 866 CA VAL A 54 -3.544 -2.830 2.332 1.00 53.23 C ATOM 867 C VAL A 54 -3.849 -1.376 2.673 1.00 40.00 C ATOM 868 O VAL A 54 -3.017 -0.676 3.251 1.00 22.10 O ATOM 869 CB VAL A 54 -2.827 -2.886 0.970 1.00 70.35 C ATOM 870 CG1 VAL A 54 -1.579 -2.017 0.987 1.00 41.32 C ATOM 871 CG2 VAL A 54 -2.480 -4.324 0.610 1.00 5.13 C ATOM 0 H VAL A 54 -4.895 -4.186 1.478 1.00 40.20 H new ATOM 0 HA VAL A 54 -2.891 -3.251 3.096 1.00 53.23 H new ATOM 0 HB VAL A 54 -3.502 -2.496 0.208 1.00 70.35 H new ATOM 0 HG11 VAL A 54 -1.086 -2.069 0.016 1.00 41.32 H new ATOM 0 HG12 VAL A 54 -1.858 -0.984 1.197 1.00 41.32 H new ATOM 0 HG13 VAL A 54 -0.898 -2.374 1.760 1.00 41.32 H new ATOM 0 HG21 VAL A 54 -1.974 -4.345 -0.355 1.00 5.13 H new ATOM 0 HG22 VAL A 54 -1.824 -4.742 1.373 1.00 5.13 H new ATOM 0 HG23 VAL A 54 -3.394 -4.916 0.554 1.00 5.13 H new ATOM 881 N ARG A 55 -5.047 -0.927 2.311 1.00 45.51 N ATOM 882 CA ARG A 55 -5.460 0.445 2.579 1.00 72.35 C ATOM 883 C ARG A 55 -5.394 0.752 4.072 1.00 73.25 C ATOM 884 O ARG A 55 -4.638 1.622 4.502 1.00 10.33 O ATOM 885 CB ARG A 55 -6.880 0.682 2.061 1.00 75.51 C ATOM 886 CG ARG A 55 -7.321 2.134 2.131 1.00 41.12 C ATOM 887 CD ARG A 55 -8.390 2.443 1.096 1.00 73.13 C ATOM 888 NE ARG A 55 -9.650 2.849 1.714 1.00 13.30 N ATOM 889 CZ ARG A 55 -10.536 1.991 2.209 1.00 43.40 C ATOM 890 NH1 ARG A 55 -10.300 0.687 2.158 1.00 12.54 N ATOM 891 NH2 ARG A 55 -11.659 2.438 2.756 1.00 53.14 N ATOM 0 H ARG A 55 -5.747 -1.493 1.832 1.00 45.51 H new ATOM 0 HA ARG A 55 -4.774 1.113 2.058 1.00 72.35 H new ATOM 0 HB2 ARG A 55 -6.942 0.342 1.027 1.00 75.51 H new ATOM 0 HB3 ARG A 55 -7.575 0.072 2.639 1.00 75.51 H new ATOM 0 HG2 ARG A 55 -7.705 2.351 3.128 1.00 41.12 H new ATOM 0 HG3 ARG A 55 -6.461 2.784 1.972 1.00 41.12 H new ATOM 0 HD2 ARG A 55 -8.038 3.236 0.437 1.00 73.13 H new ATOM 0 HD3 ARG A 55 -8.558 1.563 0.475 1.00 73.13 H new ATOM 0 HE ARG A 55 -9.861 3.845 1.769 1.00 13.30 H new ATOM 0 HH11 ARG A 55 -9.437 0.341 1.738 1.00 12.54 H new ATOM 0 HH12 ARG A 55 -10.981 0.030 2.539 1.00 12.54 H new ATOM 0 HH21 ARG A 55 -11.843 3.441 2.797 1.00 53.14 H new ATOM 0 HH22 ARG A 55 -12.339 1.779 3.136 1.00 53.14 H new ATOM 905 N GLN A 56 -6.190 0.031 4.854 1.00 24.43 N ATOM 906 CA GLN A 56 -6.222 0.228 6.299 1.00 63.22 C ATOM 907 C GLN A 56 -4.831 0.057 6.902 1.00 1.41 C ATOM 908 O GLN A 56 -4.464 0.757 7.847 1.00 35.14 O ATOM 909 CB GLN A 56 -7.196 -0.757 6.948 1.00 71.12 C ATOM 910 CG GLN A 56 -8.304 -0.083 7.740 1.00 31.42 C ATOM 911 CD GLN A 56 -7.903 0.210 9.173 1.00 41.44 C ATOM 912 OE1 GLN A 56 -8.171 -0.579 10.079 1.00 3.12 O ATOM 913 NE2 GLN A 56 -7.255 1.350 9.384 1.00 13.10 N ATOM 0 H GLN A 56 -6.821 -0.694 4.512 1.00 24.43 H new ATOM 0 HA GLN A 56 -6.561 1.245 6.494 1.00 63.22 H new ATOM 0 HB2 GLN A 56 -7.642 -1.379 6.172 1.00 71.12 H new ATOM 0 HB3 GLN A 56 -6.641 -1.422 7.609 1.00 71.12 H new ATOM 0 HG2 GLN A 56 -8.583 0.848 7.247 1.00 31.42 H new ATOM 0 HG3 GLN A 56 -9.187 -0.722 7.737 1.00 31.42 H new ATOM 0 HE21 GLN A 56 -7.054 1.974 8.603 1.00 13.10 H new ATOM 0 HE22 GLN A 56 -6.958 1.601 10.327 1.00 13.10 H new ATOM 922 N ILE A 57 -4.063 -0.875 6.350 1.00 1.00 N ATOM 923 CA ILE A 57 -2.712 -1.136 6.834 1.00 31.22 C ATOM 924 C ILE A 57 -1.807 0.071 6.615 1.00 40.33 C ATOM 925 O ILE A 57 -1.107 0.508 7.528 1.00 51.22 O ATOM 926 CB ILE A 57 -2.092 -2.362 6.138 1.00 41.12 C ATOM 927 CG1 ILE A 57 -2.944 -3.607 6.393 1.00 4.52 C ATOM 928 CG2 ILE A 57 -0.666 -2.580 6.621 1.00 50.20 C ATOM 929 CD1 ILE A 57 -2.992 -4.017 7.848 1.00 0.03 C ATOM 0 H ILE A 57 -4.352 -1.462 5.568 1.00 1.00 H new ATOM 0 HA ILE A 57 -2.793 -1.337 7.902 1.00 31.22 H new ATOM 0 HB ILE A 57 -2.067 -2.177 5.064 1.00 41.12 H new ATOM 0 HG12 ILE A 57 -3.959 -3.421 6.042 1.00 4.52 H new ATOM 0 HG13 ILE A 57 -2.550 -4.435 5.803 1.00 4.52 H new ATOM 0 HG21 ILE A 57 -0.241 -3.450 6.120 1.00 50.20 H new ATOM 0 HG22 ILE A 57 -0.065 -1.700 6.391 1.00 50.20 H new ATOM 0 HG23 ILE A 57 -0.668 -2.747 7.698 1.00 50.20 H new ATOM 0 HD11 ILE A 57 -3.613 -4.906 7.955 1.00 0.03 H new ATOM 0 HD12 ILE A 57 -1.983 -4.235 8.198 1.00 0.03 H new ATOM 0 HD13 ILE A 57 -3.414 -3.206 8.441 1.00 0.03 H new ATOM 941 N ALA A 58 -1.829 0.607 5.399 1.00 42.42 N ATOM 942 CA ALA A 58 -1.013 1.767 5.062 1.00 51.24 C ATOM 943 C ALA A 58 -1.396 2.974 5.911 1.00 3.14 C ATOM 944 O ALA A 58 -0.624 3.925 6.038 1.00 45.13 O ATOM 945 CB ALA A 58 -1.151 2.096 3.582 1.00 41.14 C ATOM 0 H ALA A 58 -2.402 0.257 4.632 1.00 42.42 H new ATOM 0 HA ALA A 58 0.028 1.522 5.274 1.00 51.24 H new ATOM 0 HB1 ALA A 58 -0.537 2.964 3.343 1.00 41.14 H new ATOM 0 HB2 ALA A 58 -0.821 1.244 2.988 1.00 41.14 H new ATOM 0 HB3 ALA A 58 -2.194 2.316 3.354 1.00 41.14 H new ATOM 951 N ILE A 59 -2.591 2.929 6.490 1.00 50.40 N ATOM 952 CA ILE A 59 -3.074 4.019 7.328 1.00 54.22 C ATOM 953 C ILE A 59 -2.561 3.884 8.757 1.00 40.14 C ATOM 954 O ILE A 59 -2.131 4.862 9.370 1.00 33.44 O ATOM 955 CB ILE A 59 -4.614 4.072 7.351 1.00 71.44 C ATOM 956 CG1 ILE A 59 -5.160 4.281 5.937 1.00 43.43 C ATOM 957 CG2 ILE A 59 -5.092 5.178 8.279 1.00 74.53 C ATOM 958 CD1 ILE A 59 -6.550 3.720 5.736 1.00 11.33 C ATOM 0 H ILE A 59 -3.242 2.150 6.394 1.00 50.40 H new ATOM 0 HA ILE A 59 -2.692 4.943 6.893 1.00 54.22 H new ATOM 0 HB ILE A 59 -4.990 3.121 7.728 1.00 71.44 H new ATOM 0 HG12 ILE A 59 -5.172 5.348 5.715 1.00 43.43 H new ATOM 0 HG13 ILE A 59 -4.482 3.815 5.222 1.00 43.43 H new ATOM 0 HG21 ILE A 59 -6.182 5.203 8.284 1.00 74.53 H new ATOM 0 HG22 ILE A 59 -4.728 4.988 9.289 1.00 74.53 H new ATOM 0 HG23 ILE A 59 -4.709 6.137 7.930 1.00 74.53 H new ATOM 0 HD11 ILE A 59 -6.872 3.905 4.711 1.00 11.33 H new ATOM 0 HD12 ILE A 59 -6.540 2.647 5.925 1.00 11.33 H new ATOM 0 HD13 ILE A 59 -7.241 4.204 6.426 1.00 11.33 H new ATOM 970 N THR A 60 -2.605 2.664 9.283 1.00 15.13 N ATOM 971 CA THR A 60 -2.144 2.399 10.640 1.00 0.42 C ATOM 972 C THR A 60 -0.644 2.123 10.667 1.00 14.32 C ATOM 973 O THR A 60 -0.056 1.943 11.733 1.00 14.11 O ATOM 974 CB THR A 60 -2.886 1.201 11.263 1.00 55.42 C ATOM 975 OG1 THR A 60 -2.403 -0.021 10.696 1.00 34.32 O ATOM 976 CG2 THR A 60 -4.386 1.316 11.033 1.00 65.21 C ATOM 0 H THR A 60 -2.956 1.843 8.789 1.00 15.13 H new ATOM 0 HA THR A 60 -2.357 3.293 11.226 1.00 0.42 H new ATOM 0 HB THR A 60 -2.698 1.202 12.337 1.00 55.42 H new ATOM 0 HG1 THR A 60 -2.878 -0.778 11.098 1.00 34.32 H new ATOM 0 HG21 THR A 60 -4.890 0.460 11.481 1.00 65.21 H new ATOM 0 HG22 THR A 60 -4.755 2.234 11.490 1.00 65.21 H new ATOM 0 HG23 THR A 60 -4.589 1.337 9.962 1.00 65.21 H new ATOM 984 N ARG A 61 -0.033 2.091 9.488 1.00 43.23 N ATOM 985 CA ARG A 61 1.398 1.836 9.377 1.00 70.15 C ATOM 986 C ARG A 61 2.121 3.042 8.782 1.00 72.51 C ATOM 987 O ARG A 61 3.114 3.518 9.334 1.00 72.15 O ATOM 988 CB ARG A 61 1.652 0.599 8.513 1.00 1.04 C ATOM 989 CG ARG A 61 1.120 -0.689 9.122 1.00 4.53 C ATOM 990 CD ARG A 61 1.990 -1.159 10.277 1.00 2.01 C ATOM 991 NE ARG A 61 1.691 -2.536 10.663 1.00 50.03 N ATOM 992 CZ ARG A 61 2.061 -3.072 11.820 1.00 42.45 C ATOM 993 NH1 ARG A 61 2.741 -2.352 12.701 1.00 44.32 N ATOM 994 NH2 ARG A 61 1.752 -4.332 12.098 1.00 53.03 N ATOM 0 H ARG A 61 -0.506 2.238 8.596 1.00 43.23 H new ATOM 0 HA ARG A 61 1.788 1.658 10.379 1.00 70.15 H new ATOM 0 HB2 ARG A 61 1.190 0.747 7.537 1.00 1.04 H new ATOM 0 HB3 ARG A 61 2.724 0.496 8.346 1.00 1.04 H new ATOM 0 HG2 ARG A 61 0.100 -0.533 9.473 1.00 4.53 H new ATOM 0 HG3 ARG A 61 1.078 -1.465 8.357 1.00 4.53 H new ATOM 0 HD2 ARG A 61 3.040 -1.082 9.995 1.00 2.01 H new ATOM 0 HD3 ARG A 61 1.841 -0.502 11.134 1.00 2.01 H new ATOM 0 HE ARG A 61 1.169 -3.118 10.007 1.00 50.03 H new ATOM 0 HH11 ARG A 61 2.981 -1.383 12.491 1.00 44.32 H new ATOM 0 HH12 ARG A 61 3.024 -2.767 13.589 1.00 44.32 H new ATOM 0 HH21 ARG A 61 1.230 -4.890 11.423 1.00 53.03 H new ATOM 0 HH22 ARG A 61 2.037 -4.743 12.987 1.00 53.03 H new ATOM 1008 N LEU A 62 1.616 3.529 7.655 1.00 42.03 N ATOM 1009 CA LEU A 62 2.213 4.680 6.984 1.00 65.33 C ATOM 1010 C LEU A 62 1.501 5.969 7.376 1.00 43.30 C ATOM 1011 O LEU A 62 1.704 7.016 6.760 1.00 35.43 O ATOM 1012 CB LEU A 62 2.160 4.494 5.466 1.00 12.32 C ATOM 1013 CG LEU A 62 3.499 4.244 4.772 1.00 51.22 C ATOM 1014 CD1 LEU A 62 3.299 4.064 3.276 1.00 52.52 C ATOM 1015 CD2 LEU A 62 4.465 5.386 5.050 1.00 52.13 C ATOM 0 H LEU A 62 0.795 3.146 7.186 1.00 42.03 H new ATOM 0 HA LEU A 62 3.254 4.753 7.298 1.00 65.33 H new ATOM 0 HB2 LEU A 62 1.498 3.657 5.246 1.00 12.32 H new ATOM 0 HB3 LEU A 62 1.707 5.383 5.027 1.00 12.32 H new ATOM 0 HG LEU A 62 3.929 3.326 5.173 1.00 51.22 H new ATOM 0 HD11 LEU A 62 4.263 3.887 2.799 1.00 52.52 H new ATOM 0 HD12 LEU A 62 2.643 3.212 3.096 1.00 52.52 H new ATOM 0 HD13 LEU A 62 2.847 4.964 2.858 1.00 52.52 H new ATOM 0 HD21 LEU A 62 5.413 5.191 4.548 1.00 52.13 H new ATOM 0 HD22 LEU A 62 4.042 6.319 4.677 1.00 52.13 H new ATOM 0 HD23 LEU A 62 4.633 5.467 6.124 1.00 52.13 H new ATOM 1027 N LYS A 63 0.666 5.888 8.408 1.00 44.21 N ATOM 1028 CA LYS A 63 -0.074 7.049 8.886 1.00 61.31 C ATOM 1029 C LYS A 63 -0.806 7.739 7.738 1.00 24.53 C ATOM 1030 O LYS A 63 -1.012 8.952 7.762 1.00 15.25 O ATOM 1031 CB LYS A 63 0.872 8.038 9.569 1.00 24.32 C ATOM 1032 CG LYS A 63 1.602 7.453 10.767 1.00 50.35 C ATOM 1033 CD LYS A 63 2.073 8.540 11.719 1.00 73.34 C ATOM 1034 CE LYS A 63 1.285 8.520 13.020 1.00 53.12 C ATOM 1035 NZ LYS A 63 1.766 9.556 13.975 1.00 62.42 N ATOM 0 H LYS A 63 0.486 5.030 8.929 1.00 44.21 H new ATOM 0 HA LYS A 63 -0.813 6.704 9.610 1.00 61.31 H new ATOM 0 HB2 LYS A 63 1.605 8.387 8.842 1.00 24.32 H new ATOM 0 HB3 LYS A 63 0.302 8.910 9.891 1.00 24.32 H new ATOM 0 HG2 LYS A 63 0.942 6.766 11.296 1.00 50.35 H new ATOM 0 HG3 LYS A 63 2.458 6.872 10.424 1.00 50.35 H new ATOM 0 HD2 LYS A 63 3.133 8.404 11.932 1.00 73.34 H new ATOM 0 HD3 LYS A 63 1.966 9.514 11.242 1.00 73.34 H new ATOM 0 HE2 LYS A 63 0.229 8.684 12.807 1.00 53.12 H new ATOM 0 HE3 LYS A 63 1.368 7.535 13.480 1.00 53.12 H new ATOM 0 HZ1 LYS A 63 1.204 9.510 14.849 1.00 62.42 H new ATOM 0 HZ2 LYS A 63 2.767 9.385 14.198 1.00 62.42 H new ATOM 0 HZ3 LYS A 63 1.663 10.498 13.546 1.00 62.42 H new ATOM 1049 N TRP A 64 -1.194 6.958 6.737 1.00 52.40 N ATOM 1050 CA TRP A 64 -1.904 7.495 5.582 1.00 50.34 C ATOM 1051 C TRP A 64 -3.299 7.971 5.972 1.00 11.30 C ATOM 1052 O TRP A 64 -3.912 7.435 6.895 1.00 51.31 O ATOM 1053 CB TRP A 64 -2.002 6.438 4.481 1.00 21.43 C ATOM 1054 CG TRP A 64 -2.460 6.990 3.165 1.00 63.13 C ATOM 1055 CD1 TRP A 64 -1.863 7.982 2.440 1.00 23.20 C ATOM 1056 CD2 TRP A 64 -3.611 6.583 2.419 1.00 74.21 C ATOM 1057 NE1 TRP A 64 -2.575 8.217 1.289 1.00 63.43 N ATOM 1058 CE2 TRP A 64 -3.651 7.370 1.251 1.00 4.12 C ATOM 1059 CE3 TRP A 64 -4.612 5.629 2.622 1.00 71.11 C ATOM 1060 CZ2 TRP A 64 -4.653 7.232 0.294 1.00 23.35 C ATOM 1061 CZ3 TRP A 64 -5.606 5.493 1.671 1.00 23.40 C ATOM 1062 CH2 TRP A 64 -5.619 6.290 0.519 1.00 33.00 C ATOM 0 H TRP A 64 -1.029 5.952 6.701 1.00 52.40 H new ATOM 0 HA TRP A 64 -1.341 8.350 5.207 1.00 50.34 H new ATOM 0 HB2 TRP A 64 -1.027 5.969 4.350 1.00 21.43 H new ATOM 0 HB3 TRP A 64 -2.692 5.656 4.799 1.00 21.43 H new ATOM 0 HD1 TRP A 64 -0.963 8.505 2.729 1.00 23.20 H new ATOM 0 HE1 TRP A 64 -2.341 8.910 0.578 1.00 63.43 H new ATOM 0 HE3 TRP A 64 -4.609 5.009 3.506 1.00 71.11 H new ATOM 0 HZ2 TRP A 64 -4.667 7.847 -0.594 1.00 23.35 H new ATOM 0 HZ3 TRP A 64 -6.385 4.760 1.819 1.00 23.40 H new ATOM 0 HH2 TRP A 64 -6.408 6.158 -0.207 1.00 33.00 H new ATOM 1073 N VAL A 65 -3.795 8.981 5.264 1.00 51.31 N ATOM 1074 CA VAL A 65 -5.118 9.528 5.536 1.00 14.51 C ATOM 1075 C VAL A 65 -5.772 10.045 4.260 1.00 74.20 C ATOM 1076 O VAL A 65 -5.227 10.913 3.579 1.00 24.03 O ATOM 1077 CB VAL A 65 -5.053 10.671 6.565 1.00 4.44 C ATOM 1078 CG1 VAL A 65 -4.809 10.120 7.962 1.00 1.30 C ATOM 1079 CG2 VAL A 65 -3.971 11.671 6.182 1.00 43.11 C ATOM 0 H VAL A 65 -3.300 9.437 4.498 1.00 51.31 H new ATOM 0 HA VAL A 65 -5.718 8.715 5.945 1.00 14.51 H new ATOM 0 HB VAL A 65 -6.012 11.189 6.567 1.00 4.44 H new ATOM 0 HG11 VAL A 65 -4.766 10.943 8.675 1.00 1.30 H new ATOM 0 HG12 VAL A 65 -5.621 9.446 8.234 1.00 1.30 H new ATOM 0 HG13 VAL A 65 -3.865 9.576 7.979 1.00 1.30 H new ATOM 0 HG21 VAL A 65 -3.939 12.472 6.920 1.00 43.11 H new ATOM 0 HG22 VAL A 65 -3.005 11.167 6.151 1.00 43.11 H new ATOM 0 HG23 VAL A 65 -4.194 12.090 5.201 1.00 43.11 H new ATOM 1089 N GLU A 66 -6.945 9.506 3.942 1.00 54.42 N ATOM 1090 CA GLU A 66 -7.674 9.914 2.746 1.00 30.12 C ATOM 1091 C GLU A 66 -7.829 11.431 2.694 1.00 63.34 C ATOM 1092 O GLU A 66 -7.833 12.115 3.717 1.00 23.24 O ATOM 1093 CB GLU A 66 -9.051 9.248 2.709 1.00 61.33 C ATOM 1094 CG GLU A 66 -10.049 9.859 3.679 1.00 44.21 C ATOM 1095 CD GLU A 66 -11.148 8.891 4.072 1.00 23.23 C ATOM 1096 OE1 GLU A 66 -11.069 7.711 3.671 1.00 43.31 O ATOM 1097 OE2 GLU A 66 -12.085 9.314 4.781 1.00 61.32 O ATOM 0 H GLU A 66 -7.411 8.786 4.495 1.00 54.42 H new ATOM 0 HA GLU A 66 -7.101 9.595 1.876 1.00 30.12 H new ATOM 0 HB2 GLU A 66 -9.451 9.317 1.698 1.00 61.33 H new ATOM 0 HB3 GLU A 66 -8.939 8.188 2.936 1.00 61.33 H new ATOM 0 HG2 GLU A 66 -9.524 10.189 4.575 1.00 44.21 H new ATOM 0 HG3 GLU A 66 -10.495 10.745 3.226 1.00 44.21 H new ATOM 1104 N PRO A 67 -7.958 11.970 1.472 1.00 2.13 N ATOM 1105 CA PRO A 67 -8.116 13.412 1.257 1.00 65.54 C ATOM 1106 C PRO A 67 -9.469 13.925 1.734 1.00 12.43 C ATOM 1107 O PRO A 67 -9.699 15.133 1.798 1.00 74.54 O ATOM 1108 CB PRO A 67 -7.994 13.558 -0.262 1.00 65.12 C ATOM 1109 CG PRO A 67 -8.405 12.234 -0.804 1.00 60.33 C ATOM 1110 CD PRO A 67 -7.961 11.214 0.209 1.00 14.31 C ATOM 0 HA PRO A 67 -7.381 13.991 1.816 1.00 65.54 H new ATOM 0 HB2 PRO A 67 -8.636 14.355 -0.636 1.00 65.12 H new ATOM 0 HB3 PRO A 67 -6.974 13.806 -0.555 1.00 65.12 H new ATOM 0 HG2 PRO A 67 -9.484 12.192 -0.953 1.00 60.33 H new ATOM 0 HG3 PRO A 67 -7.942 12.048 -1.773 1.00 60.33 H new ATOM 0 HD2 PRO A 67 -8.643 10.365 0.250 1.00 14.31 H new ATOM 0 HD3 PRO A 67 -6.973 10.818 -0.025 1.00 14.31 H new TER 1118 PRO A 67