USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 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 37 LYS NZ :NH3+ -115:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.0343 K(o=1.3,f=-6.9!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= 0.726 (180deg=-0.0332) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 139:sc= 1.09 (180deg=-1.19) USER MOD Single : A 31 SER OG : rot -158:sc= 0.764 USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= -1.23 (180deg=-2.76!) USER MOD Single : A 43 LYS NZ :NH3+ -100:sc= -3.93! (180deg=-7.14!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.936 F(o=-3.7!,f=-0.94) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= 0.639 (180deg=-0.384) USER MOD Single : A 54 GLN : amide:sc= 0.765 K(o=0.77,f=0) USER MOD Single : A 58 ASN : amide:sc= -1.37! C(o=-1.4!,f=-6.7!) USER MOD Single : A 60 TYR OH : rot -59:sc= -0.726 USER MOD Single : A 63 TYR OH : rot -30:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.98! C(o=-3.3!,f=-2!) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0819 F(o=-1.1,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 3.866 -2.381 1.143 1.00 0.97 N ATOM 2 CA MET A 20 5.161 -2.481 0.387 1.00 0.66 C ATOM 3 C MET A 20 5.620 -1.029 0.120 1.00 0.55 C ATOM 4 O MET A 20 4.834 -0.147 0.420 1.00 0.62 O ATOM 5 CB MET A 20 4.902 -3.244 -0.949 1.00 0.44 C ATOM 6 CG MET A 20 4.439 -4.708 -0.685 1.00 0.60 C ATOM 7 SD MET A 20 3.359 -5.459 -1.929 1.00 1.10 S ATOM 8 CE MET A 20 1.768 -4.949 -1.229 1.00 1.27 C ATOM 0 HA MET A 20 5.928 -3.023 0.939 1.00 0.66 H new ATOM 0 HB2 MET A 20 4.143 -2.719 -1.529 1.00 0.44 H new ATOM 0 HB3 MET A 20 5.812 -3.251 -1.549 1.00 0.44 H new ATOM 0 HG2 MET A 20 5.327 -5.332 -0.584 1.00 0.60 H new ATOM 0 HG3 MET A 20 3.921 -4.733 0.274 1.00 0.60 H new ATOM 0 HE1 MET A 20 0.958 -5.318 -1.858 1.00 1.27 H new ATOM 0 HE2 MET A 20 1.664 -5.360 -0.225 1.00 1.27 H new ATOM 0 HE3 MET A 20 1.723 -3.861 -1.182 1.00 1.27 H new ATOM 20 N LYS A 21 6.801 -0.797 -0.408 1.00 0.49 N ATOM 21 CA LYS A 21 7.232 0.621 -0.664 1.00 0.46 C ATOM 22 C LYS A 21 6.873 1.169 -2.046 1.00 0.37 C ATOM 23 O LYS A 21 6.764 0.493 -3.050 1.00 0.33 O ATOM 24 CB LYS A 21 8.787 0.771 -0.514 1.00 0.54 C ATOM 25 CG LYS A 21 9.180 1.138 0.920 1.00 0.39 C ATOM 26 CD LYS A 21 10.745 1.284 1.119 1.00 0.62 C ATOM 27 CE LYS A 21 11.623 0.174 0.487 1.00 0.47 C ATOM 28 NZ LYS A 21 11.442 -1.155 1.146 1.00 0.78 N ATOM 0 H LYS A 21 7.477 -1.515 -0.670 1.00 0.49 H new ATOM 0 HA LYS A 21 6.682 1.194 0.083 1.00 0.46 H new ATOM 0 HB2 LYS A 21 9.273 -0.163 -0.798 1.00 0.54 H new ATOM 0 HB3 LYS A 21 9.147 1.539 -1.199 1.00 0.54 H new ATOM 0 HG2 LYS A 21 8.696 2.076 1.194 1.00 0.39 H new ATOM 0 HG3 LYS A 21 8.803 0.374 1.600 1.00 0.39 H new ATOM 0 HD2 LYS A 21 11.055 2.243 0.704 1.00 0.62 H new ATOM 0 HD3 LYS A 21 10.952 1.317 2.189 1.00 0.62 H new ATOM 0 HE2 LYS A 21 11.381 0.085 -0.572 1.00 0.47 H new ATOM 0 HE3 LYS A 21 12.671 0.466 0.551 1.00 0.47 H new ATOM 0 HZ1 LYS A 21 12.244 -1.773 0.907 1.00 0.78 H new ATOM 0 HZ2 LYS A 21 11.398 -1.028 2.177 1.00 0.78 H new ATOM 0 HZ3 LYS A 21 10.558 -1.590 0.813 1.00 0.78 H new ATOM 42 N THR A 22 6.696 2.450 -1.950 1.00 0.38 N ATOM 43 CA THR A 22 6.345 3.357 -3.089 1.00 0.34 C ATOM 44 C THR A 22 7.341 4.503 -3.182 1.00 0.39 C ATOM 45 O THR A 22 7.365 5.247 -4.142 1.00 0.44 O ATOM 46 CB THR A 22 4.991 3.933 -2.884 1.00 0.28 C ATOM 47 OG1 THR A 22 5.039 4.423 -1.557 1.00 0.36 O ATOM 48 CG2 THR A 22 4.018 2.782 -2.777 1.00 0.23 C ATOM 0 H THR A 22 6.786 2.946 -1.063 1.00 0.38 H new ATOM 0 HA THR A 22 6.369 2.770 -4.007 1.00 0.34 H new ATOM 0 HB THR A 22 4.722 4.649 -3.660 1.00 0.28 H new ATOM 0 HG1 THR A 22 4.177 4.830 -1.327 1.00 0.36 H new ATOM 0 HG21 THR A 22 3.011 3.170 -2.626 1.00 0.23 H new ATOM 0 HG22 THR A 22 4.047 2.195 -3.695 1.00 0.23 H new ATOM 0 HG23 THR A 22 4.294 2.150 -1.933 1.00 0.23 H new ATOM 56 N GLU A 23 8.128 4.613 -2.152 1.00 0.40 N ATOM 57 CA GLU A 23 9.169 5.674 -2.099 1.00 0.43 C ATOM 58 C GLU A 23 10.334 4.847 -1.593 1.00 0.36 C ATOM 59 O GLU A 23 10.082 3.956 -0.803 1.00 0.34 O ATOM 60 CB GLU A 23 8.903 6.751 -1.037 1.00 0.37 C ATOM 61 CG GLU A 23 7.615 7.602 -1.237 1.00 0.51 C ATOM 62 CD GLU A 23 7.504 8.684 -0.151 1.00 0.73 C ATOM 63 OE1 GLU A 23 8.518 8.973 0.464 1.00 1.60 O ATOM 64 OE2 GLU A 23 6.428 9.222 0.017 1.00 1.06 O ATOM 0 H GLU A 23 8.094 4.005 -1.334 1.00 0.40 H new ATOM 0 HA GLU A 23 9.269 6.207 -3.045 1.00 0.43 H new ATOM 0 HB2 GLU A 23 8.847 6.266 -0.062 1.00 0.37 H new ATOM 0 HB3 GLU A 23 9.759 7.425 -1.009 1.00 0.37 H new ATOM 0 HG2 GLU A 23 7.631 8.069 -2.222 1.00 0.51 H new ATOM 0 HG3 GLU A 23 6.738 6.956 -1.205 1.00 0.51 H new ATOM 71 N TRP A 24 11.538 5.123 -1.995 1.00 0.32 N ATOM 72 CA TRP A 24 12.668 4.283 -1.487 1.00 0.22 C ATOM 73 C TRP A 24 13.813 4.930 -0.711 1.00 0.05 C ATOM 74 O TRP A 24 14.939 4.981 -1.174 1.00 0.06 O ATOM 75 CB TRP A 24 13.156 3.559 -2.718 1.00 0.32 C ATOM 76 CG TRP A 24 12.216 2.431 -3.046 1.00 0.35 C ATOM 77 CD1 TRP A 24 12.390 1.195 -2.537 1.00 0.36 C ATOM 78 CD2 TRP A 24 11.102 2.488 -3.804 1.00 0.38 C ATOM 79 NE1 TRP A 24 11.346 0.558 -3.012 1.00 0.38 N ATOM 80 CE2 TRP A 24 10.517 1.244 -3.778 1.00 0.39 C ATOM 81 CE3 TRP A 24 10.520 3.514 -4.540 1.00 0.40 C ATOM 82 CZ2 TRP A 24 9.361 1.007 -4.461 1.00 0.42 C ATOM 83 CZ3 TRP A 24 9.345 3.271 -5.237 1.00 0.43 C ATOM 84 CH2 TRP A 24 8.782 2.022 -5.184 1.00 0.44 C ATOM 0 H TRP A 24 11.793 5.873 -2.637 1.00 0.32 H new ATOM 0 HA TRP A 24 12.274 3.658 -0.686 1.00 0.22 H new ATOM 0 HB2 TRP A 24 13.218 4.250 -3.558 1.00 0.32 H new ATOM 0 HB3 TRP A 24 14.161 3.171 -2.550 1.00 0.32 H new ATOM 0 HD1 TRP A 24 13.182 0.825 -1.903 1.00 0.36 H new ATOM 0 HE1 TRP A 24 11.181 -0.426 -2.799 1.00 0.38 H new ATOM 0 HE3 TRP A 24 10.978 4.491 -4.569 1.00 0.40 H new ATOM 0 HZ2 TRP A 24 8.904 0.029 -4.434 1.00 0.42 H new ATOM 0 HZ3 TRP A 24 8.880 4.056 -5.814 1.00 0.43 H new ATOM 0 HH2 TRP A 24 7.865 1.832 -5.721 1.00 0.44 H new ATOM 95 N PRO A 25 13.525 5.409 0.482 1.00 0.16 N ATOM 96 CA PRO A 25 14.616 5.940 1.368 1.00 0.34 C ATOM 97 C PRO A 25 15.743 4.879 1.406 1.00 0.35 C ATOM 98 O PRO A 25 16.906 5.121 1.161 1.00 0.43 O ATOM 99 CB PRO A 25 13.871 6.204 2.705 1.00 0.52 C ATOM 100 CG PRO A 25 12.575 5.334 2.600 1.00 0.43 C ATOM 101 CD PRO A 25 12.177 5.454 1.120 1.00 0.18 C ATOM 0 HA PRO A 25 15.120 6.855 1.057 1.00 0.34 H new ATOM 0 HB2 PRO A 25 14.477 5.913 3.563 1.00 0.52 H new ATOM 0 HB3 PRO A 25 13.633 7.261 2.826 1.00 0.52 H new ATOM 0 HG2 PRO A 25 12.764 4.298 2.882 1.00 0.43 H new ATOM 0 HG3 PRO A 25 11.789 5.705 3.258 1.00 0.43 H new ATOM 0 HD2 PRO A 25 11.535 4.636 0.794 1.00 0.18 H new ATOM 0 HD3 PRO A 25 11.646 6.381 0.906 1.00 0.18 H new ATOM 109 N GLU A 26 15.259 3.711 1.702 1.00 0.33 N ATOM 110 CA GLU A 26 16.008 2.424 1.832 1.00 0.43 C ATOM 111 C GLU A 26 17.227 2.252 0.904 1.00 0.39 C ATOM 112 O GLU A 26 18.230 1.670 1.275 1.00 0.42 O ATOM 113 CB GLU A 26 14.935 1.364 1.607 1.00 0.46 C ATOM 114 CG GLU A 26 15.526 -0.065 1.617 1.00 1.24 C ATOM 115 CD GLU A 26 14.382 -1.069 1.715 1.00 1.16 C ATOM 116 OE1 GLU A 26 13.757 -1.132 2.760 1.00 1.40 O ATOM 117 OE2 GLU A 26 14.122 -1.756 0.745 1.00 2.16 O ATOM 0 H GLU A 26 14.262 3.586 1.878 1.00 0.33 H new ATOM 0 HA GLU A 26 16.491 2.361 2.807 1.00 0.43 H new ATOM 0 HB2 GLU A 26 14.174 1.448 2.383 1.00 0.46 H new ATOM 0 HB3 GLU A 26 14.440 1.545 0.653 1.00 0.46 H new ATOM 0 HG2 GLU A 26 16.105 -0.240 0.710 1.00 1.24 H new ATOM 0 HG3 GLU A 26 16.207 -0.186 2.459 1.00 1.24 H new ATOM 124 N LEU A 27 17.131 2.770 -0.285 1.00 0.35 N ATOM 125 CA LEU A 27 18.263 2.630 -1.245 1.00 0.41 C ATOM 126 C LEU A 27 18.981 3.913 -1.678 1.00 0.32 C ATOM 127 O LEU A 27 19.719 3.897 -2.650 1.00 0.34 O ATOM 128 CB LEU A 27 17.694 1.816 -2.470 1.00 0.76 C ATOM 129 CG LEU A 27 16.304 2.308 -2.845 1.00 0.63 C ATOM 130 CD1 LEU A 27 16.393 3.686 -3.446 1.00 1.72 C ATOM 131 CD2 LEU A 27 15.623 1.411 -3.847 1.00 1.76 C ATOM 0 H LEU A 27 16.322 3.283 -0.636 1.00 0.35 H new ATOM 0 HA LEU A 27 19.073 2.114 -0.729 1.00 0.41 H new ATOM 0 HB2 LEU A 27 18.364 1.919 -3.324 1.00 0.76 H new ATOM 0 HB3 LEU A 27 17.655 0.755 -2.221 1.00 0.76 H new ATOM 0 HG LEU A 27 15.718 2.312 -1.926 1.00 0.63 H new ATOM 0 HD11 LEU A 27 15.394 4.032 -3.712 1.00 1.72 H new ATOM 0 HD12 LEU A 27 16.833 4.371 -2.722 1.00 1.72 H new ATOM 0 HD13 LEU A 27 17.016 3.654 -4.340 1.00 1.72 H new ATOM 0 HD21 LEU A 27 14.635 1.809 -4.079 1.00 1.76 H new ATOM 0 HD22 LEU A 27 16.219 1.365 -4.759 1.00 1.76 H new ATOM 0 HD23 LEU A 27 15.522 0.409 -3.429 1.00 1.76 H new ATOM 143 N VAL A 28 18.785 5.000 -0.977 1.00 0.38 N ATOM 144 CA VAL A 28 19.511 6.239 -1.403 1.00 0.30 C ATOM 145 C VAL A 28 20.986 5.888 -1.109 1.00 0.37 C ATOM 146 O VAL A 28 21.263 5.144 -0.182 1.00 0.64 O ATOM 147 CB VAL A 28 19.044 7.427 -0.549 1.00 0.36 C ATOM 148 CG1 VAL A 28 19.773 8.696 -1.035 1.00 0.32 C ATOM 149 CG2 VAL A 28 17.550 7.661 -0.750 1.00 0.38 C ATOM 0 H VAL A 28 18.180 5.087 -0.160 1.00 0.38 H new ATOM 0 HA VAL A 28 19.343 6.522 -2.442 1.00 0.30 H new ATOM 0 HB VAL A 28 19.256 7.215 0.499 1.00 0.36 H new ATOM 0 HG11 VAL A 28 19.453 9.550 -0.439 1.00 0.32 H new ATOM 0 HG12 VAL A 28 20.849 8.561 -0.927 1.00 0.32 H new ATOM 0 HG13 VAL A 28 19.533 8.875 -2.083 1.00 0.32 H new ATOM 0 HG21 VAL A 28 17.229 8.505 -0.140 1.00 0.38 H new ATOM 0 HG22 VAL A 28 17.354 7.876 -1.800 1.00 0.38 H new ATOM 0 HG23 VAL A 28 16.999 6.769 -0.453 1.00 0.38 H new ATOM 159 N GLY A 29 21.909 6.397 -1.872 1.00 0.19 N ATOM 160 CA GLY A 29 23.337 6.043 -1.585 1.00 0.26 C ATOM 161 C GLY A 29 23.663 4.593 -1.997 1.00 0.25 C ATOM 162 O GLY A 29 24.717 4.100 -1.652 1.00 0.25 O ATOM 0 H GLY A 29 21.752 7.025 -2.660 1.00 0.19 H new ATOM 0 HA2 GLY A 29 23.995 6.729 -2.118 1.00 0.26 H new ATOM 0 HA3 GLY A 29 23.536 6.172 -0.521 1.00 0.26 H new ATOM 166 N LYS A 30 22.785 3.912 -2.694 1.00 0.27 N ATOM 167 CA LYS A 30 23.095 2.494 -3.116 1.00 0.25 C ATOM 168 C LYS A 30 23.245 2.479 -4.656 1.00 0.24 C ATOM 169 O LYS A 30 22.943 3.469 -5.300 1.00 0.25 O ATOM 170 CB LYS A 30 21.943 1.544 -2.737 1.00 0.34 C ATOM 171 CG LYS A 30 21.481 1.686 -1.273 1.00 0.37 C ATOM 172 CD LYS A 30 22.547 1.355 -0.204 1.00 0.55 C ATOM 173 CE LYS A 30 21.888 1.534 1.186 1.00 1.51 C ATOM 174 NZ LYS A 30 20.742 0.562 1.306 1.00 1.56 N ATOM 0 H LYS A 30 21.875 4.265 -2.990 1.00 0.27 H new ATOM 0 HA LYS A 30 24.005 2.163 -2.616 1.00 0.25 H new ATOM 0 HB2 LYS A 30 21.096 1.733 -3.396 1.00 0.34 H new ATOM 0 HB3 LYS A 30 22.259 0.516 -2.911 1.00 0.34 H new ATOM 0 HG2 LYS A 30 21.139 2.709 -1.116 1.00 0.37 H new ATOM 0 HG3 LYS A 30 20.621 1.035 -1.117 1.00 0.37 H new ATOM 0 HD2 LYS A 30 22.909 0.334 -0.327 1.00 0.55 H new ATOM 0 HD3 LYS A 30 23.409 2.014 -0.307 1.00 0.55 H new ATOM 0 HE2 LYS A 30 22.618 1.357 1.976 1.00 1.51 H new ATOM 0 HE3 LYS A 30 21.530 2.557 1.306 1.00 1.51 H new ATOM 0 HZ1 LYS A 30 20.735 0.150 2.261 1.00 1.56 H new ATOM 0 HZ2 LYS A 30 19.845 1.061 1.138 1.00 1.56 H new ATOM 0 HZ3 LYS A 30 20.854 -0.196 0.602 1.00 1.56 H new ATOM 188 N SER A 31 23.673 1.366 -5.215 1.00 0.26 N ATOM 189 CA SER A 31 23.824 1.336 -6.712 1.00 0.23 C ATOM 190 C SER A 31 22.428 1.285 -7.276 1.00 0.17 C ATOM 191 O SER A 31 21.529 0.664 -6.739 1.00 0.21 O ATOM 192 CB SER A 31 24.547 0.068 -7.247 1.00 0.28 C ATOM 193 OG SER A 31 23.595 -1.002 -7.161 1.00 0.49 O ATOM 0 H SER A 31 23.916 0.507 -4.722 1.00 0.26 H new ATOM 0 HA SER A 31 24.413 2.206 -7.002 1.00 0.23 H new ATOM 0 HB2 SER A 31 24.878 0.213 -8.275 1.00 0.28 H new ATOM 0 HB3 SER A 31 25.435 -0.153 -6.655 1.00 0.28 H new ATOM 0 HG SER A 31 24.068 -1.860 -7.140 1.00 0.49 H new ATOM 199 N VAL A 32 22.264 1.956 -8.365 1.00 0.08 N ATOM 200 CA VAL A 32 20.931 1.945 -8.974 1.00 0.07 C ATOM 201 C VAL A 32 20.461 0.511 -9.298 1.00 0.05 C ATOM 202 O VAL A 32 19.339 0.202 -8.974 1.00 0.08 O ATOM 203 CB VAL A 32 21.037 2.849 -10.183 1.00 0.11 C ATOM 204 CG1 VAL A 32 21.997 2.271 -11.215 1.00 0.19 C ATOM 205 CG2 VAL A 32 19.626 3.045 -10.700 1.00 0.05 C ATOM 0 H VAL A 32 22.979 2.499 -8.849 1.00 0.08 H new ATOM 0 HA VAL A 32 20.161 2.315 -8.297 1.00 0.07 H new ATOM 0 HB VAL A 32 21.462 3.821 -9.931 1.00 0.11 H new ATOM 0 HG11 VAL A 32 22.055 2.940 -12.073 1.00 0.19 H new ATOM 0 HG12 VAL A 32 22.987 2.164 -10.771 1.00 0.19 H new ATOM 0 HG13 VAL A 32 21.637 1.295 -11.540 1.00 0.19 H new ATOM 0 HG21 VAL A 32 19.646 3.693 -11.576 1.00 0.05 H new ATOM 0 HG22 VAL A 32 19.201 2.079 -10.973 1.00 0.05 H new ATOM 0 HG23 VAL A 32 19.014 3.504 -9.923 1.00 0.05 H new ATOM 215 N GLU A 33 21.243 -0.345 -9.902 1.00 0.06 N ATOM 216 CA GLU A 33 20.712 -1.707 -10.164 1.00 0.11 C ATOM 217 C GLU A 33 20.250 -2.295 -8.826 1.00 0.09 C ATOM 218 O GLU A 33 19.176 -2.866 -8.787 1.00 0.16 O ATOM 219 CB GLU A 33 21.840 -2.492 -10.875 1.00 0.18 C ATOM 220 CG GLU A 33 22.192 -1.740 -12.243 1.00 0.36 C ATOM 221 CD GLU A 33 20.964 -1.176 -12.991 1.00 0.80 C ATOM 222 OE1 GLU A 33 20.445 -0.162 -12.559 1.00 1.43 O ATOM 223 OE2 GLU A 33 20.537 -1.738 -13.982 1.00 1.21 O ATOM 0 H GLU A 33 22.197 -0.166 -10.216 1.00 0.06 H new ATOM 0 HA GLU A 33 19.841 -1.736 -10.818 1.00 0.11 H new ATOM 0 HB2 GLU A 33 22.722 -2.551 -10.237 1.00 0.18 H new ATOM 0 HB3 GLU A 33 21.522 -3.515 -11.075 1.00 0.18 H new ATOM 0 HG2 GLU A 33 22.879 -0.922 -12.028 1.00 0.36 H new ATOM 0 HG3 GLU A 33 22.717 -2.433 -12.901 1.00 0.36 H new ATOM 230 N GLU A 34 20.993 -2.167 -7.752 1.00 0.07 N ATOM 231 CA GLU A 34 20.452 -2.754 -6.484 1.00 0.10 C ATOM 232 C GLU A 34 19.156 -2.000 -6.200 1.00 0.07 C ATOM 233 O GLU A 34 18.133 -2.591 -5.974 1.00 0.10 O ATOM 234 CB GLU A 34 21.458 -2.557 -5.349 1.00 0.18 C ATOM 235 CG GLU A 34 22.230 -3.915 -5.196 1.00 1.34 C ATOM 236 CD GLU A 34 22.777 -4.377 -6.552 1.00 3.04 C ATOM 237 OE1 GLU A 34 23.691 -3.707 -7.006 1.00 3.65 O ATOM 238 OE2 GLU A 34 22.224 -5.356 -7.030 1.00 3.86 O ATOM 0 H GLU A 34 21.902 -1.708 -7.694 1.00 0.07 H new ATOM 0 HA GLU A 34 20.273 -3.826 -6.571 1.00 0.10 H new ATOM 0 HB2 GLU A 34 22.146 -1.743 -5.578 1.00 0.18 H new ATOM 0 HB3 GLU A 34 20.950 -2.293 -4.422 1.00 0.18 H new ATOM 0 HG2 GLU A 34 23.050 -3.796 -4.488 1.00 1.34 H new ATOM 0 HG3 GLU A 34 21.564 -4.675 -4.788 1.00 1.34 H new ATOM 245 N ALA A 35 19.187 -0.705 -6.199 1.00 0.08 N ATOM 246 CA ALA A 35 17.942 0.077 -5.942 1.00 0.14 C ATOM 247 C ALA A 35 16.768 -0.505 -6.760 1.00 0.17 C ATOM 248 O ALA A 35 15.676 -0.665 -6.270 1.00 0.25 O ATOM 249 CB ALA A 35 18.211 1.531 -6.335 1.00 0.22 C ATOM 0 H ALA A 35 20.023 -0.145 -6.365 1.00 0.08 H new ATOM 0 HA ALA A 35 17.667 0.022 -4.889 1.00 0.14 H new ATOM 0 HB1 ALA A 35 17.316 2.127 -6.157 1.00 0.22 H new ATOM 0 HB2 ALA A 35 19.033 1.923 -5.737 1.00 0.22 H new ATOM 0 HB3 ALA A 35 18.476 1.579 -7.391 1.00 0.22 H new ATOM 255 N LYS A 36 17.028 -0.821 -7.993 1.00 0.13 N ATOM 256 CA LYS A 36 15.989 -1.397 -8.902 1.00 0.19 C ATOM 257 C LYS A 36 15.569 -2.719 -8.284 1.00 0.21 C ATOM 258 O LYS A 36 14.408 -2.953 -8.041 1.00 0.23 O ATOM 259 CB LYS A 36 16.595 -1.626 -10.305 1.00 0.14 C ATOM 260 CG LYS A 36 16.972 -0.297 -10.986 1.00 0.27 C ATOM 261 CD LYS A 36 17.170 -0.640 -12.472 1.00 0.17 C ATOM 262 CE LYS A 36 17.729 0.532 -13.270 1.00 0.24 C ATOM 263 NZ LYS A 36 18.627 0.001 -14.348 1.00 0.57 N ATOM 0 H LYS A 36 17.944 -0.702 -8.427 1.00 0.13 H new ATOM 0 HA LYS A 36 15.135 -0.729 -9.015 1.00 0.19 H new ATOM 0 HB2 LYS A 36 17.481 -2.256 -10.221 1.00 0.14 H new ATOM 0 HB3 LYS A 36 15.880 -2.164 -10.927 1.00 0.14 H new ATOM 0 HG2 LYS A 36 16.186 0.447 -10.856 1.00 0.27 H new ATOM 0 HG3 LYS A 36 17.882 0.121 -10.555 1.00 0.27 H new ATOM 0 HD2 LYS A 36 17.846 -1.490 -12.559 1.00 0.17 H new ATOM 0 HD3 LYS A 36 16.216 -0.946 -12.901 1.00 0.17 H new ATOM 0 HE2 LYS A 36 16.916 1.112 -13.708 1.00 0.24 H new ATOM 0 HE3 LYS A 36 18.283 1.204 -12.615 1.00 0.24 H new ATOM 0 HZ1 LYS A 36 19.464 0.613 -14.435 1.00 0.57 H new ATOM 0 HZ2 LYS A 36 18.928 -0.964 -14.105 1.00 0.57 H new ATOM 0 HZ3 LYS A 36 18.113 -0.014 -15.252 1.00 0.57 H new ATOM 277 N LYS A 37 16.526 -3.559 -8.034 1.00 0.19 N ATOM 278 CA LYS A 37 16.272 -4.889 -7.423 1.00 0.18 C ATOM 279 C LYS A 37 15.398 -4.670 -6.173 1.00 0.18 C ATOM 280 O LYS A 37 14.457 -5.385 -5.917 1.00 0.18 O ATOM 281 CB LYS A 37 17.679 -5.467 -7.143 1.00 0.27 C ATOM 282 CG LYS A 37 18.157 -5.365 -5.697 1.00 1.12 C ATOM 283 CD LYS A 37 17.774 -6.591 -4.887 1.00 2.10 C ATOM 284 CE LYS A 37 18.811 -7.678 -5.138 1.00 0.99 C ATOM 285 NZ LYS A 37 18.481 -8.799 -4.218 1.00 2.17 N ATOM 0 H LYS A 37 17.509 -3.373 -8.235 1.00 0.19 H new ATOM 0 HA LYS A 37 15.724 -5.598 -8.043 1.00 0.18 H new ATOM 0 HB2 LYS A 37 17.686 -6.517 -7.436 1.00 0.27 H new ATOM 0 HB3 LYS A 37 18.397 -4.953 -7.782 1.00 0.27 H new ATOM 0 HG2 LYS A 37 19.240 -5.242 -5.680 1.00 1.12 H new ATOM 0 HG3 LYS A 37 17.728 -4.476 -5.235 1.00 1.12 H new ATOM 0 HD2 LYS A 37 17.731 -6.346 -3.826 1.00 2.10 H new ATOM 0 HD3 LYS A 37 16.782 -6.940 -5.174 1.00 2.10 H new ATOM 0 HE2 LYS A 37 18.783 -8.008 -6.177 1.00 0.99 H new ATOM 0 HE3 LYS A 37 19.817 -7.305 -4.949 1.00 0.99 H new ATOM 0 HZ1 LYS A 37 19.250 -8.920 -3.528 1.00 2.17 H new ATOM 0 HZ2 LYS A 37 17.595 -8.587 -3.716 1.00 2.17 H new ATOM 0 HZ3 LYS A 37 18.367 -9.676 -4.766 1.00 2.17 H new ATOM 299 N VAL A 38 15.726 -3.657 -5.421 1.00 0.20 N ATOM 300 CA VAL A 38 14.959 -3.329 -4.176 1.00 0.22 C ATOM 301 C VAL A 38 13.535 -2.958 -4.583 1.00 0.20 C ATOM 302 O VAL A 38 12.580 -3.558 -4.151 1.00 0.17 O ATOM 303 CB VAL A 38 15.659 -2.152 -3.460 1.00 0.26 C ATOM 304 CG1 VAL A 38 14.717 -1.547 -2.409 1.00 0.25 C ATOM 305 CG2 VAL A 38 16.950 -2.612 -2.775 1.00 0.37 C ATOM 0 H VAL A 38 16.506 -3.029 -5.616 1.00 0.20 H new ATOM 0 HA VAL A 38 14.924 -4.177 -3.492 1.00 0.22 H new ATOM 0 HB VAL A 38 15.910 -1.402 -4.210 1.00 0.26 H new ATOM 0 HG11 VAL A 38 15.216 -0.718 -1.908 1.00 0.25 H new ATOM 0 HG12 VAL A 38 13.812 -1.184 -2.897 1.00 0.25 H new ATOM 0 HG13 VAL A 38 14.453 -2.309 -1.675 1.00 0.25 H new ATOM 0 HG21 VAL A 38 17.421 -1.763 -2.279 1.00 0.37 H new ATOM 0 HG22 VAL A 38 16.717 -3.379 -2.037 1.00 0.37 H new ATOM 0 HG23 VAL A 38 17.632 -3.021 -3.521 1.00 0.37 H new ATOM 315 N ILE A 39 13.441 -1.972 -5.421 1.00 0.22 N ATOM 316 CA ILE A 39 12.135 -1.476 -5.934 1.00 0.24 C ATOM 317 C ILE A 39 11.341 -2.663 -6.428 1.00 0.25 C ATOM 318 O ILE A 39 10.141 -2.667 -6.295 1.00 0.33 O ATOM 319 CB ILE A 39 12.545 -0.460 -6.959 1.00 0.21 C ATOM 320 CG1 ILE A 39 12.988 0.722 -6.051 1.00 0.22 C ATOM 321 CG2 ILE A 39 11.361 -0.030 -7.839 1.00 0.21 C ATOM 322 CD1 ILE A 39 13.813 1.739 -6.766 1.00 0.22 C ATOM 0 H ILE A 39 14.248 -1.467 -5.788 1.00 0.22 H new ATOM 0 HA ILE A 39 11.463 -1.001 -5.219 1.00 0.24 H new ATOM 0 HB ILE A 39 13.303 -0.823 -7.653 1.00 0.21 H new ATOM 0 HG12 ILE A 39 12.103 1.207 -5.640 1.00 0.22 H new ATOM 0 HG13 ILE A 39 13.557 0.330 -5.208 1.00 0.22 H new ATOM 0 HG21 ILE A 39 11.698 0.706 -8.569 1.00 0.21 H new ATOM 0 HG22 ILE A 39 10.960 -0.900 -8.360 1.00 0.21 H new ATOM 0 HG23 ILE A 39 10.583 0.409 -7.214 1.00 0.21 H new ATOM 0 HD11 ILE A 39 14.088 2.536 -6.075 1.00 0.22 H new ATOM 0 HD12 ILE A 39 14.716 1.268 -7.154 1.00 0.22 H new ATOM 0 HD13 ILE A 39 13.239 2.158 -7.592 1.00 0.22 H new ATOM 334 N LEU A 40 12.005 -3.630 -6.989 1.00 0.23 N ATOM 335 CA LEU A 40 11.255 -4.822 -7.455 1.00 0.25 C ATOM 336 C LEU A 40 10.908 -5.606 -6.177 1.00 0.29 C ATOM 337 O LEU A 40 9.777 -6.012 -6.039 1.00 0.39 O ATOM 338 CB LEU A 40 12.125 -5.692 -8.395 1.00 0.22 C ATOM 339 CG LEU A 40 12.445 -4.942 -9.687 1.00 0.21 C ATOM 340 CD1 LEU A 40 13.082 -5.937 -10.647 1.00 0.26 C ATOM 341 CD2 LEU A 40 11.167 -4.379 -10.334 1.00 0.33 C ATOM 0 H LEU A 40 13.013 -3.648 -7.143 1.00 0.23 H new ATOM 0 HA LEU A 40 10.368 -4.540 -8.021 1.00 0.25 H new ATOM 0 HB2 LEU A 40 13.051 -5.967 -7.890 1.00 0.22 H new ATOM 0 HB3 LEU A 40 11.601 -6.619 -8.628 1.00 0.22 H new ATOM 0 HG LEU A 40 13.111 -4.108 -9.467 1.00 0.21 H new ATOM 0 HD11 LEU A 40 13.325 -5.435 -11.584 1.00 0.26 H new ATOM 0 HD12 LEU A 40 13.993 -6.338 -10.204 1.00 0.26 H new ATOM 0 HD13 LEU A 40 12.385 -6.752 -10.842 1.00 0.26 H new ATOM 0 HD21 LEU A 40 11.426 -3.851 -11.251 1.00 0.33 H new ATOM 0 HD22 LEU A 40 10.486 -5.198 -10.567 1.00 0.33 H new ATOM 0 HD23 LEU A 40 10.683 -3.690 -9.643 1.00 0.33 H new ATOM 353 N GLN A 41 11.824 -5.815 -5.264 1.00 0.23 N ATOM 354 CA GLN A 41 11.475 -6.576 -4.025 1.00 0.23 C ATOM 355 C GLN A 41 10.176 -5.967 -3.424 1.00 0.33 C ATOM 356 O GLN A 41 9.303 -6.683 -2.974 1.00 0.38 O ATOM 357 CB GLN A 41 12.693 -6.502 -3.020 1.00 0.17 C ATOM 358 CG GLN A 41 13.906 -7.374 -3.548 1.00 1.04 C ATOM 359 CD GLN A 41 15.143 -7.394 -2.627 1.00 1.14 C ATOM 360 OE1 GLN A 41 16.172 -7.958 -2.944 1.00 1.55 O ATOM 361 NE2 GLN A 41 15.142 -6.815 -1.476 1.00 0.94 N ATOM 0 H GLN A 41 12.791 -5.495 -5.322 1.00 0.23 H new ATOM 0 HA GLN A 41 11.288 -7.628 -4.240 1.00 0.23 H new ATOM 0 HB2 GLN A 41 13.009 -5.466 -2.899 1.00 0.17 H new ATOM 0 HB3 GLN A 41 12.383 -6.858 -2.038 1.00 0.17 H new ATOM 0 HG2 GLN A 41 13.562 -8.398 -3.692 1.00 1.04 H new ATOM 0 HG3 GLN A 41 14.206 -6.998 -4.526 1.00 1.04 H new ATOM 0 HE21 GLN A 41 14.308 -6.325 -1.153 1.00 0.94 H new ATOM 0 HE22 GLN A 41 15.975 -6.847 -0.888 1.00 0.94 H new ATOM 370 N ASP A 42 10.097 -4.662 -3.455 1.00 0.34 N ATOM 371 CA ASP A 42 8.929 -3.920 -2.932 1.00 0.39 C ATOM 372 C ASP A 42 7.737 -4.041 -3.899 1.00 0.33 C ATOM 373 O ASP A 42 6.642 -4.448 -3.567 1.00 0.30 O ATOM 374 CB ASP A 42 9.371 -2.468 -2.792 1.00 0.39 C ATOM 375 CG ASP A 42 10.191 -2.236 -1.553 1.00 0.59 C ATOM 376 OD1 ASP A 42 9.574 -2.362 -0.506 1.00 0.63 O ATOM 377 OD2 ASP A 42 11.360 -1.930 -1.688 1.00 1.31 O ATOM 0 H ASP A 42 10.829 -4.064 -3.839 1.00 0.34 H new ATOM 0 HA ASP A 42 8.600 -4.321 -1.973 1.00 0.39 H new ATOM 0 HB2 ASP A 42 9.953 -2.182 -3.668 1.00 0.39 H new ATOM 0 HB3 ASP A 42 8.492 -1.824 -2.769 1.00 0.39 H new ATOM 382 N LYS A 43 8.049 -3.654 -5.088 1.00 0.33 N ATOM 383 CA LYS A 43 7.135 -3.632 -6.251 1.00 0.29 C ATOM 384 C LYS A 43 7.674 -4.535 -7.413 1.00 0.24 C ATOM 385 O LYS A 43 8.228 -4.050 -8.378 1.00 0.23 O ATOM 386 CB LYS A 43 7.046 -2.134 -6.539 1.00 0.29 C ATOM 387 CG LYS A 43 6.042 -1.903 -7.650 1.00 0.29 C ATOM 388 CD LYS A 43 5.841 -0.394 -7.943 1.00 0.37 C ATOM 389 CE LYS A 43 5.331 -0.164 -9.378 1.00 0.51 C ATOM 390 NZ LYS A 43 4.564 -1.360 -9.846 1.00 0.87 N ATOM 0 H LYS A 43 8.985 -3.323 -5.320 1.00 0.33 H new ATOM 0 HA LYS A 43 6.144 -4.059 -6.093 1.00 0.29 H new ATOM 0 HB2 LYS A 43 6.744 -1.595 -5.641 1.00 0.29 H new ATOM 0 HB3 LYS A 43 8.023 -1.748 -6.829 1.00 0.29 H new ATOM 0 HG2 LYS A 43 6.380 -2.407 -8.556 1.00 0.29 H new ATOM 0 HG3 LYS A 43 5.087 -2.350 -7.375 1.00 0.29 H new ATOM 0 HD2 LYS A 43 5.130 0.025 -7.231 1.00 0.37 H new ATOM 0 HD3 LYS A 43 6.784 0.135 -7.801 1.00 0.37 H new ATOM 0 HE2 LYS A 43 4.695 0.721 -9.409 1.00 0.51 H new ATOM 0 HE3 LYS A 43 6.172 0.023 -10.046 1.00 0.51 H new ATOM 0 HZ1 LYS A 43 5.171 -1.945 -10.455 1.00 0.87 H new ATOM 0 HZ2 LYS A 43 4.256 -1.918 -9.024 1.00 0.87 H new ATOM 0 HZ3 LYS A 43 3.731 -1.049 -10.385 1.00 0.87 H new ATOM 404 N PRO A 44 7.493 -5.834 -7.284 1.00 0.27 N ATOM 405 CA PRO A 44 8.146 -6.885 -8.143 1.00 0.42 C ATOM 406 C PRO A 44 8.051 -6.659 -9.644 1.00 0.51 C ATOM 407 O PRO A 44 8.938 -7.017 -10.391 1.00 0.73 O ATOM 408 CB PRO A 44 7.482 -8.188 -7.657 1.00 0.48 C ATOM 409 CG PRO A 44 7.205 -7.866 -6.175 1.00 0.52 C ATOM 410 CD PRO A 44 6.618 -6.460 -6.262 1.00 0.33 C ATOM 0 HA PRO A 44 9.230 -6.886 -8.025 1.00 0.42 H new ATOM 0 HB2 PRO A 44 6.566 -8.410 -8.205 1.00 0.48 H new ATOM 0 HB3 PRO A 44 8.139 -9.050 -7.772 1.00 0.48 H new ATOM 0 HG2 PRO A 44 6.507 -8.573 -5.727 1.00 0.52 H new ATOM 0 HG3 PRO A 44 8.114 -7.892 -5.575 1.00 0.52 H new ATOM 0 HD2 PRO A 44 5.572 -6.471 -6.569 1.00 0.33 H new ATOM 0 HD3 PRO A 44 6.664 -5.937 -5.307 1.00 0.33 H new ATOM 418 N GLU A 45 6.959 -6.074 -10.035 1.00 0.46 N ATOM 419 CA GLU A 45 6.667 -5.758 -11.450 1.00 0.72 C ATOM 420 C GLU A 45 6.852 -4.251 -11.800 1.00 0.41 C ATOM 421 O GLU A 45 6.382 -3.751 -12.805 1.00 0.30 O ATOM 422 CB GLU A 45 5.242 -6.309 -11.606 1.00 1.09 C ATOM 423 CG GLU A 45 4.192 -5.805 -10.536 1.00 0.28 C ATOM 424 CD GLU A 45 4.459 -4.391 -10.078 1.00 1.70 C ATOM 425 OE1 GLU A 45 3.986 -3.516 -10.769 1.00 2.04 O ATOM 426 OE2 GLU A 45 5.123 -4.239 -9.068 1.00 2.87 O ATOM 0 H GLU A 45 6.220 -5.789 -9.392 1.00 0.46 H new ATOM 0 HA GLU A 45 7.359 -6.205 -12.164 1.00 0.72 H new ATOM 0 HB2 GLU A 45 4.877 -6.046 -12.599 1.00 1.09 H new ATOM 0 HB3 GLU A 45 5.286 -7.397 -11.561 1.00 1.09 H new ATOM 0 HG2 GLU A 45 3.190 -5.862 -10.962 1.00 0.28 H new ATOM 0 HG3 GLU A 45 4.210 -6.471 -9.674 1.00 0.28 H new ATOM 433 N ALA A 46 7.543 -3.544 -10.949 1.00 0.32 N ATOM 434 CA ALA A 46 7.774 -2.112 -11.223 1.00 0.07 C ATOM 435 C ALA A 46 8.610 -1.874 -12.501 1.00 0.09 C ATOM 436 O ALA A 46 9.644 -2.470 -12.749 1.00 0.15 O ATOM 437 CB ALA A 46 8.524 -1.479 -10.036 1.00 0.23 C ATOM 0 H ALA A 46 7.952 -3.899 -10.084 1.00 0.32 H new ATOM 0 HA ALA A 46 6.794 -1.657 -11.369 1.00 0.07 H new ATOM 0 HB1 ALA A 46 8.696 -0.421 -10.236 1.00 0.23 H new ATOM 0 HB2 ALA A 46 7.927 -1.585 -9.130 1.00 0.23 H new ATOM 0 HB3 ALA A 46 9.481 -1.983 -9.900 1.00 0.23 H new ATOM 443 N GLN A 47 8.090 -0.963 -13.262 1.00 0.04 N ATOM 444 CA GLN A 47 8.676 -0.511 -14.550 1.00 0.08 C ATOM 445 C GLN A 47 9.555 0.650 -14.029 1.00 0.15 C ATOM 446 O GLN A 47 9.230 1.821 -14.029 1.00 0.28 O ATOM 447 CB GLN A 47 7.545 -0.019 -15.442 1.00 0.10 C ATOM 448 CG GLN A 47 6.461 -1.092 -15.718 1.00 1.22 C ATOM 449 CD GLN A 47 5.347 -0.532 -16.613 1.00 1.62 C ATOM 450 OE1 GLN A 47 5.351 0.674 -17.064 1.00 2.61 O flip ATOM 451 NE2 GLN A 47 4.400 -1.199 -16.959 1.00 1.41 N flip ATOM 0 H GLN A 47 7.223 -0.481 -13.026 1.00 0.04 H new ATOM 0 HA GLN A 47 9.221 -1.247 -15.141 1.00 0.08 H new ATOM 0 HB2 GLN A 47 7.076 0.847 -14.976 1.00 0.10 H new ATOM 0 HB3 GLN A 47 7.962 0.317 -16.391 1.00 0.10 H new ATOM 0 HG2 GLN A 47 6.916 -1.959 -16.197 1.00 1.22 H new ATOM 0 HG3 GLN A 47 6.036 -1.436 -14.775 1.00 1.22 H new ATOM 0 HE21 GLN A 47 4.317 -2.167 -16.648 1.00 1.41 H new ATOM 0 HE22 GLN A 47 3.684 -0.794 -17.562 1.00 1.41 H new ATOM 460 N ILE A 48 10.685 0.238 -13.554 1.00 0.11 N ATOM 461 CA ILE A 48 11.720 1.156 -12.973 1.00 0.11 C ATOM 462 C ILE A 48 12.452 2.051 -14.004 1.00 0.13 C ATOM 463 O ILE A 48 13.350 1.641 -14.713 1.00 0.23 O ATOM 464 CB ILE A 48 12.730 0.271 -12.198 1.00 0.11 C ATOM 465 CG1 ILE A 48 11.922 -0.768 -11.333 1.00 0.21 C ATOM 466 CG2 ILE A 48 13.512 1.178 -11.253 1.00 0.15 C ATOM 467 CD1 ILE A 48 12.791 -1.485 -10.298 1.00 0.25 C ATOM 0 H ILE A 48 10.957 -0.745 -13.539 1.00 0.11 H new ATOM 0 HA ILE A 48 11.210 1.867 -12.323 1.00 0.11 H new ATOM 0 HB ILE A 48 13.399 -0.248 -12.884 1.00 0.11 H new ATOM 0 HG12 ILE A 48 11.108 -0.253 -10.822 1.00 0.21 H new ATOM 0 HG13 ILE A 48 11.467 -1.507 -11.993 1.00 0.21 H new ATOM 0 HG21 ILE A 48 14.233 0.584 -10.692 1.00 0.15 H new ATOM 0 HG22 ILE A 48 14.039 1.937 -11.831 1.00 0.15 H new ATOM 0 HG23 ILE A 48 12.823 1.662 -10.560 1.00 0.15 H new ATOM 0 HD11 ILE A 48 12.179 -2.188 -9.733 1.00 0.25 H new ATOM 0 HD12 ILE A 48 13.590 -2.026 -10.806 1.00 0.25 H new ATOM 0 HD13 ILE A 48 13.225 -0.753 -9.617 1.00 0.25 H new ATOM 479 N ILE A 49 12.025 3.279 -14.018 1.00 0.19 N ATOM 480 CA ILE A 49 12.539 4.371 -14.913 1.00 0.19 C ATOM 481 C ILE A 49 13.692 5.166 -14.279 1.00 0.19 C ATOM 482 O ILE A 49 13.963 4.997 -13.113 1.00 0.23 O ATOM 483 CB ILE A 49 11.325 5.216 -15.193 1.00 0.19 C ATOM 484 CG1 ILE A 49 10.444 4.294 -16.075 1.00 0.17 C ATOM 485 CG2 ILE A 49 11.668 6.629 -15.725 1.00 0.24 C ATOM 486 CD1 ILE A 49 9.444 5.080 -16.827 1.00 0.27 C ATOM 0 H ILE A 49 11.282 3.599 -13.397 1.00 0.19 H new ATOM 0 HA ILE A 49 12.983 3.979 -15.828 1.00 0.19 H new ATOM 0 HB ILE A 49 10.764 5.513 -14.307 1.00 0.19 H new ATOM 0 HG12 ILE A 49 11.074 3.739 -16.770 1.00 0.17 H new ATOM 0 HG13 ILE A 49 9.938 3.560 -15.448 1.00 0.17 H new ATOM 0 HG21 ILE A 49 10.747 7.183 -15.905 1.00 0.24 H new ATOM 0 HG22 ILE A 49 12.272 7.159 -14.988 1.00 0.24 H new ATOM 0 HG23 ILE A 49 12.227 6.541 -16.657 1.00 0.24 H new ATOM 0 HD11 ILE A 49 8.839 4.410 -17.438 1.00 0.27 H new ATOM 0 HD12 ILE A 49 8.800 5.614 -16.128 1.00 0.27 H new ATOM 0 HD13 ILE A 49 9.954 5.797 -17.471 1.00 0.27 H new ATOM 498 N VAL A 50 14.348 6.020 -15.027 1.00 0.50 N ATOM 499 CA VAL A 50 15.479 6.831 -14.500 1.00 0.52 C ATOM 500 C VAL A 50 15.473 8.362 -14.843 1.00 0.58 C ATOM 501 O VAL A 50 15.221 8.764 -15.963 1.00 0.77 O ATOM 502 CB VAL A 50 16.780 6.184 -15.026 1.00 0.71 C ATOM 503 CG1 VAL A 50 17.974 6.756 -14.265 1.00 0.66 C ATOM 504 CG2 VAL A 50 16.781 4.644 -14.833 1.00 0.81 C ATOM 0 H VAL A 50 14.136 6.190 -16.010 1.00 0.50 H new ATOM 0 HA VAL A 50 15.386 6.817 -13.414 1.00 0.52 H new ATOM 0 HB VAL A 50 16.846 6.404 -16.092 1.00 0.71 H new ATOM 0 HG11 VAL A 50 18.893 6.301 -14.635 1.00 0.66 H new ATOM 0 HG12 VAL A 50 18.018 7.835 -14.414 1.00 0.66 H new ATOM 0 HG13 VAL A 50 17.865 6.541 -13.202 1.00 0.66 H new ATOM 0 HG21 VAL A 50 17.714 4.230 -15.216 1.00 0.81 H new ATOM 0 HG22 VAL A 50 16.689 4.410 -13.772 1.00 0.81 H new ATOM 0 HG23 VAL A 50 15.941 4.209 -15.375 1.00 0.81 H new ATOM 514 N LEU A 51 15.752 9.169 -13.852 1.00 0.46 N ATOM 515 CA LEU A 51 15.820 10.675 -13.922 1.00 0.59 C ATOM 516 C LEU A 51 17.033 11.075 -13.028 1.00 0.43 C ATOM 517 O LEU A 51 17.623 10.194 -12.426 1.00 0.37 O ATOM 518 CB LEU A 51 14.508 11.329 -13.361 1.00 0.69 C ATOM 519 CG LEU A 51 14.285 10.961 -11.870 1.00 0.56 C ATOM 520 CD1 LEU A 51 13.421 12.037 -11.195 1.00 1.02 C ATOM 521 CD2 LEU A 51 13.553 9.640 -11.760 1.00 0.39 C ATOM 0 H LEU A 51 15.953 8.817 -12.916 1.00 0.46 H new ATOM 0 HA LEU A 51 15.928 11.017 -14.951 1.00 0.59 H new ATOM 0 HB2 LEU A 51 14.566 12.412 -13.465 1.00 0.69 H new ATOM 0 HB3 LEU A 51 13.653 10.998 -13.951 1.00 0.69 H new ATOM 0 HG LEU A 51 15.259 10.891 -11.386 1.00 0.56 H new ATOM 0 HD11 LEU A 51 13.266 11.776 -10.148 1.00 1.02 H new ATOM 0 HD12 LEU A 51 13.926 13.001 -11.257 1.00 1.02 H new ATOM 0 HD13 LEU A 51 12.457 12.099 -11.700 1.00 1.02 H new ATOM 0 HD21 LEU A 51 13.403 9.394 -10.709 1.00 0.39 H new ATOM 0 HD22 LEU A 51 12.586 9.718 -12.256 1.00 0.39 H new ATOM 0 HD23 LEU A 51 14.143 8.856 -12.236 1.00 0.39 H new ATOM 533 N GLU A 52 17.365 12.340 -12.944 1.00 0.39 N ATOM 534 CA GLU A 52 18.539 12.799 -12.098 1.00 0.27 C ATOM 535 C GLU A 52 18.397 12.815 -10.515 1.00 0.73 C ATOM 536 O GLU A 52 18.534 11.890 -9.735 1.00 1.75 O ATOM 537 CB GLU A 52 18.941 14.279 -12.643 1.00 0.47 C ATOM 538 CG GLU A 52 19.734 14.495 -13.958 1.00 0.91 C ATOM 539 CD GLU A 52 20.173 15.979 -13.908 1.00 1.75 C ATOM 540 OE1 GLU A 52 21.150 16.270 -13.237 1.00 2.88 O ATOM 541 OE2 GLU A 52 19.529 16.821 -14.500 1.00 1.80 O ATOM 0 H GLU A 52 16.873 13.092 -13.427 1.00 0.39 H new ATOM 0 HA GLU A 52 19.303 12.033 -12.227 1.00 0.27 H new ATOM 0 HB2 GLU A 52 18.010 14.837 -12.745 1.00 0.47 H new ATOM 0 HB3 GLU A 52 19.515 14.758 -11.850 1.00 0.47 H new ATOM 0 HG2 GLU A 52 20.594 13.828 -14.016 1.00 0.91 H new ATOM 0 HG3 GLU A 52 19.115 14.294 -14.832 1.00 0.91 H new ATOM 548 N LYS A 53 18.089 14.024 -10.206 1.00 0.23 N ATOM 549 CA LYS A 53 17.832 14.693 -8.923 1.00 0.33 C ATOM 550 C LYS A 53 16.390 14.492 -8.477 1.00 0.65 C ATOM 551 O LYS A 53 15.635 13.718 -9.031 1.00 0.99 O ATOM 552 CB LYS A 53 18.130 16.214 -9.139 1.00 0.85 C ATOM 553 CG LYS A 53 19.620 16.491 -9.417 1.00 1.59 C ATOM 554 CD LYS A 53 19.831 17.869 -10.174 1.00 2.31 C ATOM 555 CE LYS A 53 19.133 17.853 -11.566 1.00 3.88 C ATOM 556 NZ LYS A 53 19.844 18.728 -12.563 1.00 4.99 N ATOM 0 H LYS A 53 17.988 14.702 -10.961 1.00 0.23 H new ATOM 0 HA LYS A 53 18.465 14.274 -8.141 1.00 0.33 H new ATOM 0 HB2 LYS A 53 17.534 16.583 -9.974 1.00 0.85 H new ATOM 0 HB3 LYS A 53 17.819 16.771 -8.255 1.00 0.85 H new ATOM 0 HG2 LYS A 53 20.169 16.506 -8.475 1.00 1.59 H new ATOM 0 HG3 LYS A 53 20.035 15.680 -10.015 1.00 1.59 H new ATOM 0 HD2 LYS A 53 19.430 18.684 -9.572 1.00 2.31 H new ATOM 0 HD3 LYS A 53 20.897 18.060 -10.300 1.00 2.31 H new ATOM 0 HE2 LYS A 53 19.097 16.830 -11.942 1.00 3.88 H new ATOM 0 HE3 LYS A 53 18.102 18.190 -11.458 1.00 3.88 H new ATOM 0 HZ1 LYS A 53 19.658 18.380 -13.525 1.00 4.99 H new ATOM 0 HZ2 LYS A 53 19.499 19.705 -12.476 1.00 4.99 H new ATOM 0 HZ3 LYS A 53 20.867 18.704 -12.378 1.00 4.99 H new ATOM 570 N GLN A 54 16.076 15.247 -7.467 1.00 0.92 N ATOM 571 CA GLN A 54 14.733 15.277 -6.820 1.00 1.62 C ATOM 572 C GLN A 54 13.865 16.235 -7.681 1.00 1.83 C ATOM 573 O GLN A 54 13.185 17.105 -7.168 1.00 2.25 O ATOM 574 CB GLN A 54 14.977 15.802 -5.390 1.00 1.91 C ATOM 575 CG GLN A 54 15.900 17.102 -5.439 1.00 1.61 C ATOM 576 CD GLN A 54 15.310 18.263 -4.653 1.00 1.98 C ATOM 577 OE1 GLN A 54 15.917 18.828 -3.775 1.00 3.03 O ATOM 578 NE2 GLN A 54 14.119 18.670 -4.932 1.00 1.52 N ATOM 0 H GLN A 54 16.742 15.888 -7.035 1.00 0.92 H new ATOM 0 HA GLN A 54 14.221 14.317 -6.757 1.00 1.62 H new ATOM 0 HB2 GLN A 54 14.026 16.038 -4.913 1.00 1.91 H new ATOM 0 HB3 GLN A 54 15.453 15.030 -4.786 1.00 1.91 H new ATOM 0 HG2 GLN A 54 16.885 16.860 -5.040 1.00 1.61 H new ATOM 0 HG3 GLN A 54 16.042 17.404 -6.477 1.00 1.61 H new ATOM 0 HE21 GLN A 54 13.583 18.212 -5.669 1.00 1.52 H new ATOM 0 HE22 GLN A 54 13.713 19.450 -4.416 1.00 1.52 H new ATOM 587 N ALA A 55 13.949 16.014 -8.973 1.00 1.63 N ATOM 588 CA ALA A 55 13.199 16.834 -9.978 1.00 1.92 C ATOM 589 C ALA A 55 12.023 16.087 -10.660 1.00 1.94 C ATOM 590 O ALA A 55 12.125 14.922 -11.002 1.00 2.51 O ATOM 591 CB ALA A 55 14.248 17.299 -11.001 1.00 1.83 C ATOM 0 H ALA A 55 14.523 15.277 -9.383 1.00 1.63 H new ATOM 0 HA ALA A 55 12.710 17.670 -9.478 1.00 1.92 H new ATOM 0 HB1 ALA A 55 13.765 17.906 -11.767 1.00 1.83 H new ATOM 0 HB2 ALA A 55 15.011 17.892 -10.496 1.00 1.83 H new ATOM 0 HB3 ALA A 55 14.713 16.430 -11.466 1.00 1.83 H new ATOM 597 N VAL A 56 10.936 16.784 -10.845 1.00 1.63 N ATOM 598 CA VAL A 56 9.746 16.155 -11.495 1.00 1.55 C ATOM 599 C VAL A 56 9.155 16.988 -12.646 1.00 0.69 C ATOM 600 O VAL A 56 8.078 16.763 -13.156 1.00 1.14 O ATOM 601 CB VAL A 56 8.821 15.929 -10.319 1.00 2.56 C ATOM 602 CG1 VAL A 56 8.192 17.277 -9.982 1.00 3.46 C ATOM 603 CG2 VAL A 56 7.797 14.843 -10.645 1.00 2.85 C ATOM 0 H VAL A 56 10.818 17.761 -10.576 1.00 1.63 H new ATOM 0 HA VAL A 56 9.973 15.229 -12.024 1.00 1.55 H new ATOM 0 HB VAL A 56 9.357 15.562 -9.444 1.00 2.56 H new ATOM 0 HG11 VAL A 56 7.515 17.161 -9.136 1.00 3.46 H new ATOM 0 HG12 VAL A 56 8.975 17.990 -9.725 1.00 3.46 H new ATOM 0 HG13 VAL A 56 7.636 17.645 -10.844 1.00 3.46 H new ATOM 0 HG21 VAL A 56 7.140 14.693 -9.788 1.00 2.85 H new ATOM 0 HG22 VAL A 56 7.205 15.149 -11.508 1.00 2.85 H new ATOM 0 HG23 VAL A 56 8.315 13.911 -10.872 1.00 2.85 H new ATOM 613 N ASP A 57 9.966 17.928 -13.007 1.00 1.01 N ATOM 614 CA ASP A 57 9.694 18.920 -14.117 1.00 1.67 C ATOM 615 C ASP A 57 9.852 18.253 -15.522 1.00 2.39 C ATOM 616 O ASP A 57 9.676 18.804 -16.590 1.00 3.30 O ATOM 617 CB ASP A 57 10.704 20.095 -13.886 1.00 2.12 C ATOM 618 CG ASP A 57 12.143 19.623 -14.158 1.00 2.61 C ATOM 619 OD1 ASP A 57 12.457 18.521 -13.719 1.00 2.56 O ATOM 620 OD2 ASP A 57 12.842 20.398 -14.786 1.00 3.52 O ATOM 0 H ASP A 57 10.870 18.072 -12.558 1.00 1.01 H new ATOM 0 HA ASP A 57 8.668 19.288 -14.097 1.00 1.67 H new ATOM 0 HB2 ASP A 57 10.458 20.930 -14.542 1.00 2.12 H new ATOM 0 HB3 ASP A 57 10.621 20.459 -12.862 1.00 2.12 H new ATOM 625 N ASN A 58 10.188 17.017 -15.351 1.00 2.72 N ATOM 626 CA ASN A 58 10.450 15.974 -16.381 1.00 3.92 C ATOM 627 C ASN A 58 9.388 14.859 -16.154 1.00 3.57 C ATOM 628 O ASN A 58 9.693 13.682 -16.108 1.00 4.80 O ATOM 629 CB ASN A 58 11.915 15.490 -16.140 1.00 5.37 C ATOM 630 CG ASN A 58 12.031 14.849 -14.754 1.00 5.23 C ATOM 631 OD1 ASN A 58 11.990 13.651 -14.571 1.00 6.11 O ATOM 632 ND2 ASN A 58 12.171 15.582 -13.703 1.00 4.31 N ATOM 0 H ASN A 58 10.307 16.641 -14.410 1.00 2.72 H new ATOM 0 HA ASN A 58 10.367 16.313 -17.414 1.00 3.92 H new ATOM 0 HB2 ASN A 58 12.201 14.771 -16.908 1.00 5.37 H new ATOM 0 HB3 ASN A 58 12.603 16.332 -16.220 1.00 5.37 H new ATOM 0 HD21 ASN A 58 12.240 15.147 -12.783 1.00 4.31 H new ATOM 0 HD22 ASN A 58 12.212 16.597 -13.791 1.00 4.31 H new ATOM 639 N ALA A 59 8.149 15.244 -16.009 1.00 2.16 N ATOM 640 CA ALA A 59 7.061 14.233 -15.782 1.00 2.59 C ATOM 641 C ALA A 59 6.217 13.895 -17.025 1.00 1.70 C ATOM 642 O ALA A 59 6.269 14.543 -18.048 1.00 1.40 O ATOM 643 CB ALA A 59 6.147 14.768 -14.663 1.00 3.07 C ATOM 0 H ALA A 59 7.837 16.215 -16.037 1.00 2.16 H new ATOM 0 HA ALA A 59 7.549 13.297 -15.511 1.00 2.59 H new ATOM 0 HB1 ALA A 59 5.345 14.054 -14.475 1.00 3.07 H new ATOM 0 HB2 ALA A 59 6.730 14.907 -13.752 1.00 3.07 H new ATOM 0 HB3 ALA A 59 5.718 15.722 -14.969 1.00 3.07 H new ATOM 649 N TYR A 60 5.463 12.841 -16.851 1.00 1.56 N ATOM 650 CA TYR A 60 4.532 12.261 -17.855 1.00 1.09 C ATOM 651 C TYR A 60 3.042 12.538 -17.497 1.00 0.87 C ATOM 652 O TYR A 60 2.731 13.395 -16.697 1.00 0.66 O ATOM 653 CB TYR A 60 4.933 10.758 -17.888 1.00 1.77 C ATOM 654 CG TYR A 60 4.662 9.948 -16.589 1.00 2.09 C ATOM 655 CD1 TYR A 60 3.374 9.675 -16.203 1.00 3.28 C ATOM 656 CD2 TYR A 60 5.691 9.469 -15.785 1.00 1.75 C ATOM 657 CE1 TYR A 60 3.096 8.954 -15.067 1.00 4.03 C ATOM 658 CE2 TYR A 60 5.405 8.734 -14.629 1.00 2.35 C ATOM 659 CZ TYR A 60 4.098 8.477 -14.273 1.00 3.52 C ATOM 660 OH TYR A 60 3.740 7.726 -13.170 1.00 4.42 O ATOM 0 H TYR A 60 5.462 12.320 -15.974 1.00 1.56 H new ATOM 0 HA TYR A 60 4.614 12.707 -18.846 1.00 1.09 H new ATOM 0 HB2 TYR A 60 4.399 10.279 -18.709 1.00 1.77 H new ATOM 0 HB3 TYR A 60 5.996 10.692 -18.118 1.00 1.77 H new ATOM 0 HD1 TYR A 60 2.556 10.037 -16.809 1.00 3.28 H new ATOM 0 HD2 TYR A 60 6.718 9.666 -16.055 1.00 1.75 H new ATOM 0 HE1 TYR A 60 2.068 8.762 -14.798 1.00 4.03 H new ATOM 0 HE2 TYR A 60 6.212 8.366 -14.013 1.00 2.35 H new ATOM 0 HH TYR A 60 3.164 8.260 -12.584 1.00 4.42 H new ATOM 670 N ALA A 61 2.154 11.803 -18.106 1.00 1.31 N ATOM 671 CA ALA A 61 0.676 11.977 -17.839 1.00 1.67 C ATOM 672 C ALA A 61 0.190 11.277 -16.532 1.00 1.61 C ATOM 673 O ALA A 61 0.961 11.014 -15.626 1.00 1.31 O ATOM 674 CB ALA A 61 -0.038 11.439 -19.101 1.00 2.62 C ATOM 0 H ALA A 61 2.380 11.078 -18.787 1.00 1.31 H new ATOM 0 HA ALA A 61 0.441 13.026 -17.661 1.00 1.67 H new ATOM 0 HB1 ALA A 61 -1.117 11.534 -18.977 1.00 2.62 H new ATOM 0 HB2 ALA A 61 0.279 12.013 -19.971 1.00 2.62 H new ATOM 0 HB3 ALA A 61 0.219 10.390 -19.245 1.00 2.62 H new ATOM 680 N GLU A 62 -1.084 10.999 -16.469 1.00 1.99 N ATOM 681 CA GLU A 62 -1.682 10.326 -15.262 1.00 1.97 C ATOM 682 C GLU A 62 -0.863 9.157 -14.603 1.00 1.76 C ATOM 683 O GLU A 62 -0.268 8.307 -15.241 1.00 2.08 O ATOM 684 CB GLU A 62 -3.096 9.784 -15.655 1.00 2.31 C ATOM 685 CG GLU A 62 -4.172 10.927 -15.882 1.00 2.98 C ATOM 686 CD GLU A 62 -4.202 11.565 -17.284 1.00 3.64 C ATOM 687 OE1 GLU A 62 -3.336 11.245 -18.082 1.00 3.26 O ATOM 688 OE2 GLU A 62 -5.116 12.354 -17.463 1.00 4.87 O ATOM 0 H GLU A 62 -1.752 11.210 -17.210 1.00 1.99 H new ATOM 0 HA GLU A 62 -1.699 11.102 -14.497 1.00 1.97 H new ATOM 0 HB2 GLU A 62 -3.009 9.192 -16.566 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -3.450 9.114 -14.872 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -5.159 10.515 -15.672 1.00 2.98 H new ATOM 0 HG3 GLU A 62 -3.994 11.715 -15.151 1.00 2.98 H new ATOM 695 N TYR A 63 -0.890 9.213 -13.295 1.00 1.27 N ATOM 696 CA TYR A 63 -0.203 8.226 -12.395 1.00 1.04 C ATOM 697 C TYR A 63 -0.418 6.750 -12.738 1.00 0.93 C ATOM 698 O TYR A 63 -1.542 6.296 -12.863 1.00 0.93 O ATOM 699 CB TYR A 63 -0.689 8.441 -10.924 1.00 0.73 C ATOM 700 CG TYR A 63 -0.249 7.267 -9.994 1.00 0.60 C ATOM 701 CD1 TYR A 63 -1.023 6.117 -9.879 1.00 1.42 C ATOM 702 CD2 TYR A 63 0.920 7.336 -9.267 1.00 0.63 C ATOM 703 CE1 TYR A 63 -0.637 5.070 -9.054 1.00 1.29 C ATOM 704 CE2 TYR A 63 1.306 6.286 -8.441 1.00 0.73 C ATOM 705 CZ TYR A 63 0.524 5.162 -8.335 1.00 0.38 C ATOM 706 OH TYR A 63 0.885 4.143 -7.487 1.00 0.28 O ATOM 0 H TYR A 63 -1.388 9.943 -12.785 1.00 1.27 H new ATOM 0 HA TYR A 63 0.860 8.425 -12.532 1.00 1.04 H new ATOM 0 HB2 TYR A 63 -0.287 9.379 -10.541 1.00 0.73 H new ATOM 0 HB3 TYR A 63 -1.775 8.530 -10.909 1.00 0.73 H new ATOM 0 HD1 TYR A 63 -1.941 6.037 -10.442 1.00 1.42 H new ATOM 0 HD2 TYR A 63 1.543 8.215 -9.340 1.00 0.63 H new ATOM 0 HE1 TYR A 63 -1.251 4.185 -8.979 1.00 1.29 H new ATOM 0 HE2 TYR A 63 2.226 6.355 -7.880 1.00 0.73 H new ATOM 0 HH TYR A 63 0.080 3.704 -7.141 1.00 0.28 H new ATOM 716 N ARG A 64 0.654 6.034 -12.881 1.00 0.88 N ATOM 717 CA ARG A 64 0.481 4.594 -13.187 1.00 0.88 C ATOM 718 C ARG A 64 1.290 3.796 -12.182 1.00 0.57 C ATOM 719 O ARG A 64 2.505 3.791 -12.203 1.00 0.49 O ATOM 720 CB ARG A 64 0.949 4.256 -14.595 1.00 1.31 C ATOM 721 CG ARG A 64 0.055 4.973 -15.624 1.00 1.54 C ATOM 722 CD ARG A 64 0.376 4.381 -16.985 1.00 2.31 C ATOM 723 NE ARG A 64 0.084 2.905 -16.872 1.00 2.96 N ATOM 724 CZ ARG A 64 -0.796 2.268 -17.536 1.00 3.80 C ATOM 725 NH1 ARG A 64 -1.883 2.874 -17.783 1.00 4.12 N ATOM 726 NH2 ARG A 64 -0.463 1.084 -17.870 1.00 4.39 N ATOM 0 H ARG A 64 1.614 6.368 -12.803 1.00 0.88 H new ATOM 0 HA ARG A 64 -0.579 4.347 -13.125 1.00 0.88 H new ATOM 0 HB2 ARG A 64 1.987 4.560 -14.726 1.00 1.31 H new ATOM 0 HB3 ARG A 64 0.910 3.178 -14.753 1.00 1.31 H new ATOM 0 HG2 ARG A 64 -0.999 4.833 -15.382 1.00 1.54 H new ATOM 0 HG3 ARG A 64 0.244 6.046 -15.617 1.00 1.54 H new ATOM 0 HD2 ARG A 64 -0.232 4.841 -17.764 1.00 2.31 H new ATOM 0 HD3 ARG A 64 1.419 4.554 -17.250 1.00 2.31 H new ATOM 0 HE ARG A 64 0.641 2.370 -16.205 1.00 2.96 H new ATOM 0 HH11 ARG A 64 -2.021 3.829 -17.453 1.00 4.12 H new ATOM 0 HH12 ARG A 64 -2.619 2.406 -18.312 1.00 4.12 H new ATOM 0 HH21 ARG A 64 0.450 0.717 -17.603 1.00 4.39 H new ATOM 0 HH22 ARG A 64 -1.110 0.504 -18.404 1.00 4.39 H new ATOM 740 N ILE A 65 0.572 3.133 -11.329 1.00 0.59 N ATOM 741 CA ILE A 65 1.144 2.274 -10.253 1.00 0.46 C ATOM 742 C ILE A 65 2.125 1.193 -10.804 1.00 0.52 C ATOM 743 O ILE A 65 2.659 0.380 -10.075 1.00 0.67 O ATOM 744 CB ILE A 65 -0.058 1.659 -9.537 1.00 0.47 C ATOM 745 CG1 ILE A 65 0.285 0.695 -8.412 1.00 0.43 C ATOM 746 CG2 ILE A 65 -1.014 1.090 -10.569 1.00 0.63 C ATOM 747 CD1 ILE A 65 -0.923 0.733 -7.443 1.00 0.40 C ATOM 0 H ILE A 65 -0.448 3.151 -11.333 1.00 0.59 H new ATOM 0 HA ILE A 65 1.756 2.861 -9.568 1.00 0.46 H new ATOM 0 HB ILE A 65 -0.563 2.460 -8.997 1.00 0.47 H new ATOM 0 HG12 ILE A 65 0.447 -0.312 -8.796 1.00 0.43 H new ATOM 0 HG13 ILE A 65 1.202 0.995 -7.906 1.00 0.43 H new ATOM 0 HG21 ILE A 65 -1.874 0.650 -10.065 1.00 0.63 H new ATOM 0 HG22 ILE A 65 -1.351 1.887 -11.231 1.00 0.63 H new ATOM 0 HG23 ILE A 65 -0.505 0.324 -11.153 1.00 0.63 H new ATOM 0 HD11 ILE A 65 -0.740 0.058 -6.607 1.00 0.40 H new ATOM 0 HD12 ILE A 65 -1.057 1.748 -7.068 1.00 0.40 H new ATOM 0 HD13 ILE A 65 -1.823 0.420 -7.972 1.00 0.40 H new ATOM 759 N ASP A 66 2.339 1.208 -12.092 1.00 0.50 N ATOM 760 CA ASP A 66 3.249 0.242 -12.739 1.00 0.56 C ATOM 761 C ASP A 66 4.660 0.795 -12.778 1.00 0.41 C ATOM 762 O ASP A 66 5.609 0.036 -12.769 1.00 0.38 O ATOM 763 CB ASP A 66 2.689 -0.049 -14.181 1.00 0.69 C ATOM 764 CG ASP A 66 2.510 1.142 -15.149 1.00 1.48 C ATOM 765 OD1 ASP A 66 3.109 2.183 -14.961 1.00 1.69 O ATOM 766 OD2 ASP A 66 1.752 0.961 -16.089 1.00 2.40 O ATOM 0 H ASP A 66 1.905 1.872 -12.733 1.00 0.50 H new ATOM 0 HA ASP A 66 3.295 -0.690 -12.176 1.00 0.56 H new ATOM 0 HB2 ASP A 66 3.355 -0.768 -14.658 1.00 0.69 H new ATOM 0 HB3 ASP A 66 1.720 -0.536 -14.070 1.00 0.69 H new ATOM 771 N ARG A 67 4.800 2.083 -12.801 1.00 0.32 N ATOM 772 CA ARG A 67 6.200 2.648 -12.844 1.00 0.15 C ATOM 773 C ARG A 67 6.737 3.278 -11.569 1.00 0.23 C ATOM 774 O ARG A 67 6.037 3.611 -10.634 1.00 0.28 O ATOM 775 CB ARG A 67 6.266 3.704 -13.966 1.00 0.30 C ATOM 776 CG ARG A 67 6.364 2.984 -15.316 1.00 1.32 C ATOM 777 CD ARG A 67 6.012 3.892 -16.447 1.00 1.38 C ATOM 778 NE ARG A 67 4.585 4.212 -16.173 1.00 2.13 N ATOM 779 CZ ARG A 67 4.174 5.407 -16.217 1.00 1.71 C ATOM 780 NH1 ARG A 67 4.278 6.051 -17.306 1.00 1.63 N ATOM 781 NH2 ARG A 67 3.691 5.861 -15.145 1.00 1.82 N ATOM 0 H ARG A 67 4.042 2.765 -12.793 1.00 0.32 H new ATOM 0 HA ARG A 67 6.836 1.779 -13.011 1.00 0.15 H new ATOM 0 HB2 ARG A 67 5.380 4.338 -13.940 1.00 0.30 H new ATOM 0 HB3 ARG A 67 7.128 4.355 -13.822 1.00 0.30 H new ATOM 0 HG2 ARG A 67 7.376 2.604 -15.454 1.00 1.32 H new ATOM 0 HG3 ARG A 67 5.697 2.122 -15.319 1.00 1.32 H new ATOM 0 HD2 ARG A 67 6.634 4.787 -16.457 1.00 1.38 H new ATOM 0 HD3 ARG A 67 6.140 3.404 -17.413 1.00 1.38 H new ATOM 0 HE ARG A 67 3.933 3.461 -15.948 1.00 2.13 H new ATOM 0 HH11 ARG A 67 4.687 5.603 -18.126 1.00 1.63 H new ATOM 0 HH12 ARG A 67 3.952 7.016 -17.361 1.00 1.63 H new ATOM 0 HH21 ARG A 67 3.651 5.271 -14.314 1.00 1.82 H new ATOM 0 HH22 ARG A 67 3.340 6.818 -15.109 1.00 1.82 H new ATOM 795 N VAL A 68 8.035 3.388 -11.625 1.00 0.28 N ATOM 796 CA VAL A 68 8.836 3.997 -10.514 1.00 0.32 C ATOM 797 C VAL A 68 9.829 4.885 -11.259 1.00 0.42 C ATOM 798 O VAL A 68 10.227 4.567 -12.361 1.00 0.80 O ATOM 799 CB VAL A 68 9.609 2.915 -9.654 1.00 0.32 C ATOM 800 CG1 VAL A 68 10.506 3.632 -8.556 1.00 0.34 C ATOM 801 CG2 VAL A 68 8.560 2.102 -8.861 1.00 0.27 C ATOM 0 H VAL A 68 8.595 3.073 -12.417 1.00 0.28 H new ATOM 0 HA VAL A 68 8.206 4.526 -9.799 1.00 0.32 H new ATOM 0 HB VAL A 68 10.216 2.302 -10.320 1.00 0.32 H new ATOM 0 HG11 VAL A 68 11.034 2.880 -7.970 1.00 0.34 H new ATOM 0 HG12 VAL A 68 11.230 4.283 -9.046 1.00 0.34 H new ATOM 0 HG13 VAL A 68 9.871 4.225 -7.898 1.00 0.34 H new ATOM 0 HG21 VAL A 68 9.065 1.347 -8.258 1.00 0.27 H new ATOM 0 HG22 VAL A 68 7.998 2.771 -8.209 1.00 0.27 H new ATOM 0 HG23 VAL A 68 7.877 1.614 -9.556 1.00 0.27 H new ATOM 811 N ARG A 69 10.179 5.951 -10.625 1.00 0.15 N ATOM 812 CA ARG A 69 11.127 6.966 -11.137 1.00 0.35 C ATOM 813 C ARG A 69 12.449 6.818 -10.379 1.00 0.21 C ATOM 814 O ARG A 69 12.402 6.974 -9.175 1.00 0.34 O ATOM 815 CB ARG A 69 10.526 8.311 -10.849 1.00 0.61 C ATOM 816 CG ARG A 69 9.177 8.511 -11.518 1.00 1.07 C ATOM 817 CD ARG A 69 8.922 10.007 -11.421 1.00 1.18 C ATOM 818 NE ARG A 69 9.897 10.632 -12.396 1.00 0.71 N ATOM 819 CZ ARG A 69 9.523 11.120 -13.516 1.00 0.82 C ATOM 820 NH1 ARG A 69 8.427 10.725 -14.013 1.00 1.78 N ATOM 821 NH2 ARG A 69 10.277 11.979 -14.071 1.00 1.17 N ATOM 0 H ARG A 69 9.817 6.178 -9.699 1.00 0.15 H new ATOM 0 HA ARG A 69 11.310 6.848 -12.205 1.00 0.35 H new ATOM 0 HB2 ARG A 69 10.413 8.429 -9.771 1.00 0.61 H new ATOM 0 HB3 ARG A 69 11.211 9.089 -11.185 1.00 0.61 H new ATOM 0 HG2 ARG A 69 9.195 8.178 -12.556 1.00 1.07 H new ATOM 0 HG3 ARG A 69 8.396 7.942 -11.014 1.00 1.07 H new ATOM 0 HD2 ARG A 69 7.892 10.250 -11.682 1.00 1.18 H new ATOM 0 HD3 ARG A 69 9.089 10.371 -10.407 1.00 1.18 H new ATOM 0 HE ARG A 69 10.886 10.665 -12.150 1.00 0.71 H new ATOM 0 HH11 ARG A 69 7.864 10.032 -13.520 1.00 1.78 H new ATOM 0 HH12 ARG A 69 8.107 11.100 -14.906 1.00 1.78 H new ATOM 0 HH21 ARG A 69 11.149 12.258 -13.622 1.00 1.17 H new ATOM 0 HH22 ARG A 69 10.010 12.390 -14.966 1.00 1.17 H new ATOM 835 N LEU A 70 13.565 6.550 -11.005 1.00 0.10 N ATOM 836 CA LEU A 70 14.808 6.431 -10.149 1.00 0.12 C ATOM 837 C LEU A 70 15.665 7.683 -10.308 1.00 0.13 C ATOM 838 O LEU A 70 16.072 8.018 -11.399 1.00 0.24 O ATOM 839 CB LEU A 70 15.650 5.172 -10.541 1.00 0.13 C ATOM 840 CG LEU A 70 15.700 4.250 -9.280 1.00 0.11 C ATOM 841 CD1 LEU A 70 16.238 2.845 -9.570 1.00 0.11 C ATOM 842 CD2 LEU A 70 16.665 4.877 -8.302 1.00 0.19 C ATOM 0 H LEU A 70 13.682 6.413 -12.009 1.00 0.10 H new ATOM 0 HA LEU A 70 14.493 6.324 -9.111 1.00 0.12 H new ATOM 0 HB2 LEU A 70 15.196 4.650 -11.383 1.00 0.13 H new ATOM 0 HB3 LEU A 70 16.655 5.460 -10.849 1.00 0.13 H new ATOM 0 HG LEU A 70 14.679 4.156 -8.909 1.00 0.11 H new ATOM 0 HD11 LEU A 70 16.244 2.261 -8.650 1.00 0.11 H new ATOM 0 HD12 LEU A 70 15.600 2.356 -10.306 1.00 0.11 H new ATOM 0 HD13 LEU A 70 17.253 2.918 -9.961 1.00 0.11 H new ATOM 0 HD21 LEU A 70 16.727 4.260 -7.406 1.00 0.19 H new ATOM 0 HD22 LEU A 70 17.651 4.951 -8.761 1.00 0.19 H new ATOM 0 HD23 LEU A 70 16.314 5.873 -8.033 1.00 0.19 H new ATOM 854 N ALA A 71 15.911 8.327 -9.193 1.00 0.11 N ATOM 855 CA ALA A 71 16.728 9.572 -9.176 1.00 0.05 C ATOM 856 C ALA A 71 18.169 9.207 -8.776 1.00 0.09 C ATOM 857 O ALA A 71 18.541 9.191 -7.615 1.00 0.11 O ATOM 858 CB ALA A 71 16.079 10.540 -8.170 1.00 0.05 C ATOM 0 H ALA A 71 15.571 8.033 -8.278 1.00 0.11 H new ATOM 0 HA ALA A 71 16.765 10.053 -10.153 1.00 0.05 H new ATOM 0 HB1 ALA A 71 16.654 11.465 -8.132 1.00 0.05 H new ATOM 0 HB2 ALA A 71 15.058 10.760 -8.483 1.00 0.05 H new ATOM 0 HB3 ALA A 71 16.065 10.081 -7.181 1.00 0.05 H new ATOM 864 N VAL A 72 18.920 8.932 -9.796 1.00 0.11 N ATOM 865 CA VAL A 72 20.359 8.545 -9.651 1.00 0.17 C ATOM 866 C VAL A 72 21.220 9.671 -10.160 1.00 0.24 C ATOM 867 O VAL A 72 20.758 10.560 -10.848 1.00 0.28 O ATOM 868 CB VAL A 72 20.728 7.339 -10.507 1.00 0.20 C ATOM 869 CG1 VAL A 72 19.985 6.143 -10.096 1.00 0.25 C ATOM 870 CG2 VAL A 72 20.320 7.591 -11.942 1.00 0.15 C ATOM 0 H VAL A 72 18.592 8.958 -10.761 1.00 0.11 H new ATOM 0 HA VAL A 72 20.515 8.318 -8.596 1.00 0.17 H new ATOM 0 HB VAL A 72 21.802 7.189 -10.395 1.00 0.20 H new ATOM 0 HG11 VAL A 72 20.272 5.302 -10.727 1.00 0.25 H new ATOM 0 HG12 VAL A 72 20.215 5.912 -9.056 1.00 0.25 H new ATOM 0 HG13 VAL A 72 18.915 6.326 -10.199 1.00 0.25 H new ATOM 0 HG21 VAL A 72 20.585 6.728 -12.552 1.00 0.15 H new ATOM 0 HG22 VAL A 72 19.243 7.754 -11.991 1.00 0.15 H new ATOM 0 HG23 VAL A 72 20.838 8.474 -12.318 1.00 0.15 H new ATOM 880 N ASP A 73 22.471 9.610 -9.825 1.00 0.24 N ATOM 881 CA ASP A 73 23.355 10.691 -10.310 1.00 0.32 C ATOM 882 C ASP A 73 24.053 10.244 -11.621 1.00 0.41 C ATOM 883 O ASP A 73 23.559 9.492 -12.442 1.00 0.43 O ATOM 884 CB ASP A 73 24.368 11.008 -9.166 1.00 0.33 C ATOM 885 CG ASP A 73 25.402 9.915 -8.996 1.00 0.39 C ATOM 886 OD1 ASP A 73 25.103 8.789 -9.349 1.00 1.26 O ATOM 887 OD2 ASP A 73 26.451 10.308 -8.523 1.00 0.99 O ATOM 0 H ASP A 73 22.908 8.885 -9.256 1.00 0.24 H new ATOM 0 HA ASP A 73 22.799 11.597 -10.550 1.00 0.32 H new ATOM 0 HB2 ASP A 73 24.871 11.951 -9.380 1.00 0.33 H new ATOM 0 HB3 ASP A 73 23.826 11.141 -8.230 1.00 0.33 H new ATOM 892 N LYS A 74 25.224 10.773 -11.757 1.00 0.45 N ATOM 893 CA LYS A 74 26.103 10.536 -12.897 1.00 0.50 C ATOM 894 C LYS A 74 26.899 9.241 -12.689 1.00 0.49 C ATOM 895 O LYS A 74 27.498 8.736 -13.608 1.00 0.54 O ATOM 896 CB LYS A 74 27.029 11.771 -13.017 1.00 0.55 C ATOM 897 CG LYS A 74 26.272 13.146 -12.948 1.00 0.79 C ATOM 898 CD LYS A 74 25.749 13.385 -11.499 1.00 0.79 C ATOM 899 CE LYS A 74 25.603 14.826 -11.132 1.00 1.20 C ATOM 900 NZ LYS A 74 25.096 14.808 -9.717 1.00 2.28 N ATOM 0 H LYS A 74 25.625 11.406 -11.065 1.00 0.45 H new ATOM 0 HA LYS A 74 25.537 10.408 -13.820 1.00 0.50 H new ATOM 0 HB2 LYS A 74 27.770 11.736 -12.219 1.00 0.55 H new ATOM 0 HB3 LYS A 74 27.573 11.714 -13.960 1.00 0.55 H new ATOM 0 HG2 LYS A 74 26.940 13.955 -13.242 1.00 0.79 H new ATOM 0 HG3 LYS A 74 25.439 13.149 -13.651 1.00 0.79 H new ATOM 0 HD2 LYS A 74 24.783 12.893 -11.388 1.00 0.79 H new ATOM 0 HD3 LYS A 74 26.432 12.909 -10.795 1.00 0.79 H new ATOM 0 HE2 LYS A 74 26.555 15.352 -11.205 1.00 1.20 H new ATOM 0 HE3 LYS A 74 24.905 15.336 -11.797 1.00 1.20 H new ATOM 0 HZ1 LYS A 74 24.966 15.784 -9.382 1.00 2.28 H new ATOM 0 HZ2 LYS A 74 24.186 14.306 -9.681 1.00 2.28 H new ATOM 0 HZ3 LYS A 74 25.784 14.322 -9.108 1.00 2.28 H new ATOM 914 N LEU A 75 26.873 8.757 -11.483 1.00 0.43 N ATOM 915 CA LEU A 75 27.598 7.513 -11.084 1.00 0.43 C ATOM 916 C LEU A 75 26.563 6.467 -10.646 1.00 0.31 C ATOM 917 O LEU A 75 26.696 5.828 -9.617 1.00 0.27 O ATOM 918 CB LEU A 75 28.518 7.924 -9.950 1.00 0.52 C ATOM 919 CG LEU A 75 29.395 9.125 -10.298 1.00 0.69 C ATOM 920 CD1 LEU A 75 29.985 9.602 -8.973 1.00 0.79 C ATOM 921 CD2 LEU A 75 30.494 8.682 -11.261 1.00 0.69 C ATOM 0 H LEU A 75 26.355 9.191 -10.719 1.00 0.43 H new ATOM 0 HA LEU A 75 28.181 7.068 -11.891 1.00 0.43 H new ATOM 0 HB2 LEU A 75 27.919 8.161 -9.071 1.00 0.52 H new ATOM 0 HB3 LEU A 75 29.155 7.081 -9.683 1.00 0.52 H new ATOM 0 HG LEU A 75 28.838 9.925 -10.785 1.00 0.69 H new ATOM 0 HD11 LEU A 75 30.627 10.465 -9.150 1.00 0.79 H new ATOM 0 HD12 LEU A 75 29.178 9.883 -8.296 1.00 0.79 H new ATOM 0 HD13 LEU A 75 30.571 8.799 -8.526 1.00 0.79 H new ATOM 0 HD21 LEU A 75 31.123 9.536 -11.513 1.00 0.69 H new ATOM 0 HD22 LEU A 75 31.102 7.910 -10.789 1.00 0.69 H new ATOM 0 HD23 LEU A 75 30.043 8.283 -12.170 1.00 0.69 H new ATOM 933 N ASP A 76 25.569 6.395 -11.482 1.00 0.29 N ATOM 934 CA ASP A 76 24.409 5.465 -11.325 1.00 0.22 C ATOM 935 C ASP A 76 24.093 4.982 -9.881 1.00 0.21 C ATOM 936 O ASP A 76 23.768 3.838 -9.622 1.00 0.19 O ATOM 937 CB ASP A 76 24.647 4.261 -12.349 1.00 0.28 C ATOM 938 CG ASP A 76 26.099 3.973 -12.705 1.00 0.47 C ATOM 939 OD1 ASP A 76 26.852 3.766 -11.772 1.00 0.18 O ATOM 940 OD2 ASP A 76 26.367 3.977 -13.895 1.00 1.26 O ATOM 0 H ASP A 76 25.509 6.977 -12.318 1.00 0.29 H new ATOM 0 HA ASP A 76 23.500 6.021 -11.555 1.00 0.22 H new ATOM 0 HB2 ASP A 76 24.210 3.357 -11.926 1.00 0.28 H new ATOM 0 HB3 ASP A 76 24.103 4.478 -13.268 1.00 0.28 H new ATOM 945 N ASN A 77 24.206 5.909 -8.958 1.00 0.22 N ATOM 946 CA ASN A 77 23.912 5.611 -7.529 1.00 0.21 C ATOM 947 C ASN A 77 22.720 6.561 -7.250 1.00 0.20 C ATOM 948 O ASN A 77 22.605 7.638 -7.815 1.00 0.23 O ATOM 949 CB ASN A 77 25.164 5.912 -6.612 1.00 0.35 C ATOM 950 CG ASN A 77 25.731 7.327 -6.621 1.00 0.75 C ATOM 951 OD1 ASN A 77 26.641 7.634 -7.472 1.00 1.46 O flip ATOM 952 ND2 ASN A 77 25.365 8.184 -5.850 1.00 0.75 N flip ATOM 0 H ASN A 77 24.494 6.870 -9.142 1.00 0.22 H new ATOM 0 HA ASN A 77 23.683 4.566 -7.321 1.00 0.21 H new ATOM 0 HB2 ASN A 77 24.893 5.667 -5.585 1.00 0.35 H new ATOM 0 HB3 ASN A 77 25.963 5.230 -6.902 1.00 0.35 H new ATOM 0 HD21 ASN A 77 24.643 7.975 -5.160 1.00 0.75 H new ATOM 0 HD22 ASN A 77 25.778 9.116 -5.890 1.00 0.75 H new ATOM 959 N ILE A 78 21.893 6.071 -6.377 1.00 0.20 N ATOM 960 CA ILE A 78 20.652 6.785 -5.954 1.00 0.15 C ATOM 961 C ILE A 78 20.945 8.067 -5.225 1.00 0.15 C ATOM 962 O ILE A 78 21.372 8.092 -4.088 1.00 0.20 O ATOM 963 CB ILE A 78 19.810 5.824 -5.065 1.00 0.18 C ATOM 964 CG1 ILE A 78 19.588 4.439 -5.725 1.00 0.18 C ATOM 965 CG2 ILE A 78 18.368 6.434 -4.763 1.00 0.15 C ATOM 966 CD1 ILE A 78 19.473 4.583 -7.235 1.00 0.04 C ATOM 0 H ILE A 78 22.028 5.170 -5.919 1.00 0.20 H new ATOM 0 HA ILE A 78 20.092 7.066 -6.846 1.00 0.15 H new ATOM 0 HB ILE A 78 20.386 5.703 -4.147 1.00 0.18 H new ATOM 0 HG12 ILE A 78 20.416 3.775 -5.479 1.00 0.18 H new ATOM 0 HG13 ILE A 78 18.683 3.980 -5.327 1.00 0.18 H new ATOM 0 HG21 ILE A 78 17.803 5.741 -4.140 1.00 0.15 H new ATOM 0 HG22 ILE A 78 18.477 7.385 -4.241 1.00 0.15 H new ATOM 0 HG23 ILE A 78 17.837 6.594 -5.701 1.00 0.15 H new ATOM 0 HD11 ILE A 78 19.317 3.602 -7.683 1.00 0.04 H new ATOM 0 HD12 ILE A 78 18.629 5.230 -7.476 1.00 0.04 H new ATOM 0 HD13 ILE A 78 20.390 5.021 -7.630 1.00 0.04 H new ATOM 978 N ALA A 79 20.643 9.087 -5.970 1.00 0.11 N ATOM 979 CA ALA A 79 20.824 10.495 -5.533 1.00 0.18 C ATOM 980 C ALA A 79 19.674 10.829 -4.569 1.00 0.10 C ATOM 981 O ALA A 79 19.871 11.492 -3.573 1.00 0.17 O ATOM 982 CB ALA A 79 20.807 11.332 -6.831 1.00 0.28 C ATOM 0 H ALA A 79 20.259 8.996 -6.911 1.00 0.11 H new ATOM 0 HA ALA A 79 21.753 10.694 -4.998 1.00 0.18 H new ATOM 0 HB1 ALA A 79 20.936 12.386 -6.586 1.00 0.28 H new ATOM 0 HB2 ALA A 79 21.619 11.009 -7.483 1.00 0.28 H new ATOM 0 HB3 ALA A 79 19.854 11.192 -7.342 1.00 0.28 H new ATOM 988 N GLN A 80 18.508 10.366 -4.898 1.00 0.05 N ATOM 989 CA GLN A 80 17.341 10.646 -3.995 1.00 0.16 C ATOM 990 C GLN A 80 16.385 9.501 -3.767 1.00 0.25 C ATOM 991 O GLN A 80 16.470 8.485 -4.411 1.00 0.29 O ATOM 992 CB GLN A 80 16.521 11.840 -4.523 1.00 0.23 C ATOM 993 CG GLN A 80 16.411 12.924 -3.376 1.00 0.26 C ATOM 994 CD GLN A 80 17.631 13.853 -3.220 1.00 1.69 C ATOM 995 OE1 GLN A 80 18.617 13.844 -4.053 1.00 2.17 O flip ATOM 996 NE2 GLN A 80 17.705 14.636 -2.301 1.00 2.75 N flip ATOM 0 H GLN A 80 18.303 9.816 -5.732 1.00 0.05 H new ATOM 0 HA GLN A 80 17.812 10.853 -3.034 1.00 0.16 H new ATOM 0 HB2 GLN A 80 17.000 12.268 -5.403 1.00 0.23 H new ATOM 0 HB3 GLN A 80 15.528 11.511 -4.829 1.00 0.23 H new ATOM 0 HG2 GLN A 80 15.531 13.538 -3.564 1.00 0.26 H new ATOM 0 HG3 GLN A 80 16.245 12.410 -2.429 1.00 0.26 H new ATOM 0 HE21 GLN A 80 16.954 14.686 -1.612 1.00 2.75 H new ATOM 0 HE22 GLN A 80 18.518 15.246 -2.215 1.00 2.75 H new ATOM 1005 N VAL A 81 15.499 9.736 -2.837 1.00 0.29 N ATOM 1006 CA VAL A 81 14.452 8.763 -2.445 1.00 0.37 C ATOM 1007 C VAL A 81 13.563 8.604 -3.681 1.00 0.40 C ATOM 1008 O VAL A 81 12.710 9.447 -3.903 1.00 0.60 O ATOM 1009 CB VAL A 81 13.641 9.347 -1.284 1.00 0.50 C ATOM 1010 CG1 VAL A 81 12.577 8.318 -0.891 1.00 0.47 C ATOM 1011 CG2 VAL A 81 14.576 9.683 -0.103 1.00 0.57 C ATOM 0 H VAL A 81 15.463 10.609 -2.311 1.00 0.29 H new ATOM 0 HA VAL A 81 14.865 7.807 -2.124 1.00 0.37 H new ATOM 0 HB VAL A 81 13.151 10.276 -1.577 1.00 0.50 H new ATOM 0 HG11 VAL A 81 11.982 8.707 -0.064 1.00 0.47 H new ATOM 0 HG12 VAL A 81 11.928 8.122 -1.744 1.00 0.47 H new ATOM 0 HG13 VAL A 81 13.063 7.392 -0.584 1.00 0.47 H new ATOM 0 HG21 VAL A 81 13.991 10.098 0.718 1.00 0.57 H new ATOM 0 HG22 VAL A 81 15.079 8.776 0.232 1.00 0.57 H new ATOM 0 HG23 VAL A 81 15.319 10.413 -0.424 1.00 0.57 H new ATOM 1021 N PRO A 82 13.747 7.575 -4.474 1.00 0.30 N ATOM 1022 CA PRO A 82 13.041 7.505 -5.778 1.00 0.43 C ATOM 1023 C PRO A 82 11.561 7.145 -5.379 1.00 0.41 C ATOM 1024 O PRO A 82 11.316 6.730 -4.254 1.00 0.48 O ATOM 1025 CB PRO A 82 13.956 6.471 -6.492 1.00 0.44 C ATOM 1026 CG PRO A 82 14.199 5.474 -5.387 1.00 0.30 C ATOM 1027 CD PRO A 82 14.598 6.374 -4.230 1.00 0.17 C ATOM 0 HA PRO A 82 12.917 8.353 -6.451 1.00 0.43 H new ATOM 0 HB2 PRO A 82 13.468 6.017 -7.354 1.00 0.44 H new ATOM 0 HB3 PRO A 82 14.882 6.921 -6.850 1.00 0.44 H new ATOM 0 HG2 PRO A 82 13.307 4.890 -5.161 1.00 0.30 H new ATOM 0 HG3 PRO A 82 14.987 4.765 -5.643 1.00 0.30 H new ATOM 0 HD2 PRO A 82 14.390 5.915 -3.264 1.00 0.17 H new ATOM 0 HD3 PRO A 82 15.661 6.615 -4.247 1.00 0.17 H new ATOM 1035 N ARG A 83 10.620 7.297 -6.278 1.00 0.30 N ATOM 1036 CA ARG A 83 9.168 7.002 -5.964 1.00 0.30 C ATOM 1037 C ARG A 83 8.377 6.276 -7.084 1.00 0.23 C ATOM 1038 O ARG A 83 8.901 6.169 -8.170 1.00 0.16 O ATOM 1039 CB ARG A 83 8.500 8.359 -5.642 1.00 0.33 C ATOM 1040 CG ARG A 83 9.340 9.174 -4.622 1.00 0.63 C ATOM 1041 CD ARG A 83 8.525 10.431 -4.256 1.00 0.66 C ATOM 1042 NE ARG A 83 9.252 11.157 -3.155 1.00 1.32 N ATOM 1043 CZ ARG A 83 9.053 10.762 -1.962 1.00 1.33 C ATOM 1044 NH1 ARG A 83 7.965 11.050 -1.375 1.00 1.32 N ATOM 1045 NH2 ARG A 83 9.982 10.080 -1.448 1.00 2.27 N ATOM 0 H ARG A 83 10.789 7.617 -7.232 1.00 0.30 H new ATOM 0 HA ARG A 83 9.148 6.302 -5.129 1.00 0.30 H new ATOM 0 HB2 ARG A 83 8.380 8.935 -6.560 1.00 0.33 H new ATOM 0 HB3 ARG A 83 7.501 8.189 -5.240 1.00 0.33 H new ATOM 0 HG2 ARG A 83 9.548 8.579 -3.733 1.00 0.63 H new ATOM 0 HG3 ARG A 83 10.302 9.452 -5.052 1.00 0.63 H new ATOM 0 HD2 ARG A 83 8.410 11.077 -5.127 1.00 0.66 H new ATOM 0 HD3 ARG A 83 7.522 10.153 -3.931 1.00 0.66 H new ATOM 0 HE ARG A 83 9.880 11.935 -3.358 1.00 1.32 H new ATOM 0 HH11 ARG A 83 7.253 11.597 -1.860 1.00 1.32 H new ATOM 0 HH12 ARG A 83 7.803 10.735 -0.419 1.00 1.32 H new ATOM 0 HH21 ARG A 83 10.825 9.879 -1.986 1.00 2.27 H new ATOM 0 HH22 ARG A 83 9.890 9.730 -0.494 1.00 2.27 H new ATOM 1059 N VAL A 84 7.172 5.810 -6.838 1.00 0.33 N ATOM 1060 CA VAL A 84 6.418 5.111 -7.951 1.00 0.31 C ATOM 1061 C VAL A 84 6.003 5.994 -9.169 1.00 0.40 C ATOM 1062 O VAL A 84 6.798 6.331 -10.027 1.00 0.87 O ATOM 1063 CB VAL A 84 5.133 4.413 -7.303 1.00 0.32 C ATOM 1064 CG1 VAL A 84 4.228 3.696 -8.352 1.00 0.27 C ATOM 1065 CG2 VAL A 84 5.591 3.247 -6.485 1.00 0.31 C ATOM 0 H VAL A 84 6.684 5.876 -5.945 1.00 0.33 H new ATOM 0 HA VAL A 84 7.113 4.393 -8.387 1.00 0.31 H new ATOM 0 HB VAL A 84 4.608 5.210 -6.776 1.00 0.32 H new ATOM 0 HG11 VAL A 84 3.374 3.243 -7.847 1.00 0.27 H new ATOM 0 HG12 VAL A 84 3.874 4.422 -9.084 1.00 0.27 H new ATOM 0 HG13 VAL A 84 4.803 2.921 -8.859 1.00 0.27 H new ATOM 0 HG21 VAL A 84 4.728 2.757 -6.034 1.00 0.31 H new ATOM 0 HG22 VAL A 84 6.117 2.538 -7.124 1.00 0.31 H new ATOM 0 HG23 VAL A 84 6.262 3.595 -5.700 1.00 0.31 H new ATOM 1075 N GLY A 85 4.755 6.345 -9.150 1.00 0.37 N ATOM 1076 CA GLY A 85 4.130 7.170 -10.220 1.00 0.43 C ATOM 1077 C GLY A 85 4.023 8.645 -9.915 1.00 0.71 C ATOM 1078 O GLY A 85 4.328 9.351 -10.860 1.00 0.99 O ATOM 1079 OXT GLY A 85 3.645 8.955 -8.799 1.00 1.69 O ATOM 0 H GLY A 85 4.111 6.083 -8.403 1.00 0.37 H new ATOM 0 HA2 GLY A 85 4.707 7.046 -11.136 1.00 0.43 H new ATOM 0 HA3 GLY A 85 3.130 6.783 -10.418 1.00 0.43 H new TER 1083 GLY A 85