USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 417 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 22 THR OG1 : rot -35:sc= 0.598 USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= 0.392 (180deg=-0.423!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.609 USER MOD Single : A 36 LYS NZ :NH3+ -129:sc= 0.615 (180deg=-2.79!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -116:sc= -6.89! (180deg=-10.5!) USER MOD Single : A 47 GLN : amide:sc= -0.572 K(o=-0.57,f=-9.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -3.64! C(o=-5.6!,f=-3.6!) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.6 F(o=-3.3!,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 42 N THR A 22 6.376 1.979 -2.190 1.00 0.31 N ATOM 43 CA THR A 22 6.259 2.825 -3.417 1.00 0.40 C ATOM 44 C THR A 22 7.306 3.933 -3.407 1.00 0.31 C ATOM 45 O THR A 22 7.452 4.645 -4.380 1.00 0.30 O ATOM 46 CB THR A 22 4.887 3.464 -3.482 1.00 0.67 C ATOM 47 OG1 THR A 22 4.743 3.989 -2.175 1.00 0.74 O ATOM 48 CG2 THR A 22 3.832 2.387 -3.496 1.00 0.74 C ATOM 0 HA THR A 22 6.414 2.182 -4.283 1.00 0.40 H new ATOM 0 HB THR A 22 4.795 4.142 -4.330 1.00 0.67 H new ATOM 0 HG1 THR A 22 5.179 3.391 -1.532 1.00 0.74 H new ATOM 0 HG21 THR A 22 2.844 2.846 -3.543 1.00 0.74 H new ATOM 0 HG22 THR A 22 3.977 1.747 -4.367 1.00 0.74 H new ATOM 0 HG23 THR A 22 3.911 1.788 -2.589 1.00 0.74 H new ATOM 56 N GLU A 23 7.988 4.051 -2.293 1.00 0.26 N ATOM 57 CA GLU A 23 9.073 5.086 -2.125 1.00 0.18 C ATOM 58 C GLU A 23 10.325 4.384 -1.584 1.00 0.14 C ATOM 59 O GLU A 23 10.197 3.514 -0.738 1.00 0.17 O ATOM 60 CB GLU A 23 8.679 6.169 -1.100 1.00 0.26 C ATOM 61 CG GLU A 23 7.361 6.864 -1.535 1.00 0.35 C ATOM 62 CD GLU A 23 7.157 8.216 -0.865 1.00 0.23 C ATOM 63 OE1 GLU A 23 8.130 8.950 -0.827 1.00 1.03 O ATOM 64 OE2 GLU A 23 6.032 8.456 -0.457 1.00 1.21 O ATOM 0 H GLU A 23 7.839 3.464 -1.473 1.00 0.26 H new ATOM 0 HA GLU A 23 9.242 5.558 -3.093 1.00 0.18 H new ATOM 0 HB2 GLU A 23 8.554 5.719 -0.115 1.00 0.26 H new ATOM 0 HB3 GLU A 23 9.477 6.907 -1.015 1.00 0.26 H new ATOM 0 HG2 GLU A 23 7.366 6.997 -2.617 1.00 0.35 H new ATOM 0 HG3 GLU A 23 6.518 6.215 -1.297 1.00 0.35 H new ATOM 71 N TRP A 24 11.496 4.749 -2.039 1.00 0.11 N ATOM 72 CA TRP A 24 12.721 4.059 -1.509 1.00 0.11 C ATOM 73 C TRP A 24 13.823 4.903 -0.858 1.00 0.15 C ATOM 74 O TRP A 24 14.979 4.846 -1.250 1.00 0.16 O ATOM 75 CB TRP A 24 13.277 3.260 -2.671 1.00 0.10 C ATOM 76 CG TRP A 24 12.366 2.094 -2.956 1.00 0.08 C ATOM 77 CD1 TRP A 24 12.548 0.873 -2.417 1.00 0.05 C ATOM 78 CD2 TRP A 24 11.254 2.109 -3.712 1.00 0.09 C ATOM 79 NE1 TRP A 24 11.509 0.207 -2.880 1.00 0.05 N ATOM 80 CE2 TRP A 24 10.681 0.867 -3.662 1.00 0.06 C ATOM 81 CE3 TRP A 24 10.664 3.105 -4.464 1.00 0.13 C ATOM 82 CZ2 TRP A 24 9.534 0.597 -4.341 1.00 0.07 C ATOM 83 CZ3 TRP A 24 9.492 2.835 -5.161 1.00 0.14 C ATOM 84 CH2 TRP A 24 8.935 1.575 -5.089 1.00 0.11 C ATOM 0 H TRP A 24 11.661 5.475 -2.736 1.00 0.11 H new ATOM 0 HA TRP A 24 12.389 3.467 -0.656 1.00 0.11 H new ATOM 0 HB2 TRP A 24 13.363 3.893 -3.554 1.00 0.10 H new ATOM 0 HB3 TRP A 24 14.280 2.904 -2.435 1.00 0.10 H new ATOM 0 HD1 TRP A 24 13.342 0.528 -1.771 1.00 0.05 H new ATOM 0 HE1 TRP A 24 11.354 -0.773 -2.644 1.00 0.05 H new ATOM 0 HE3 TRP A 24 11.110 4.087 -4.510 1.00 0.13 H new ATOM 0 HZ2 TRP A 24 9.096 -0.389 -4.290 1.00 0.07 H new ATOM 0 HZ3 TRP A 24 9.021 3.605 -5.754 1.00 0.14 H new ATOM 0 HH2 TRP A 24 8.023 1.359 -5.625 1.00 0.11 H new ATOM 95 N PRO A 25 13.470 5.665 0.148 1.00 0.29 N ATOM 96 CA PRO A 25 14.478 6.509 0.847 1.00 0.47 C ATOM 97 C PRO A 25 15.697 5.712 1.358 1.00 0.50 C ATOM 98 O PRO A 25 16.734 6.274 1.639 1.00 0.85 O ATOM 99 CB PRO A 25 13.640 7.216 1.946 1.00 0.78 C ATOM 100 CG PRO A 25 12.448 6.239 2.162 1.00 0.60 C ATOM 101 CD PRO A 25 12.106 5.776 0.737 1.00 0.34 C ATOM 0 HA PRO A 25 14.968 7.230 0.193 1.00 0.47 H new ATOM 0 HB2 PRO A 25 14.214 7.360 2.861 1.00 0.78 H new ATOM 0 HB3 PRO A 25 13.301 8.201 1.624 1.00 0.78 H new ATOM 0 HG2 PRO A 25 12.726 5.401 2.801 1.00 0.60 H new ATOM 0 HG3 PRO A 25 11.602 6.736 2.637 1.00 0.60 H new ATOM 0 HD2 PRO A 25 11.573 4.825 0.728 1.00 0.34 H new ATOM 0 HD3 PRO A 25 11.483 6.496 0.206 1.00 0.34 H new ATOM 109 N GLU A 26 15.539 4.420 1.446 1.00 0.57 N ATOM 110 CA GLU A 26 16.586 3.489 1.916 1.00 0.86 C ATOM 111 C GLU A 26 17.716 3.322 0.900 1.00 0.86 C ATOM 112 O GLU A 26 18.849 3.047 1.247 1.00 1.14 O ATOM 113 CB GLU A 26 16.052 2.125 2.109 1.00 1.10 C ATOM 114 CG GLU A 26 14.637 2.121 2.610 1.00 1.43 C ATOM 115 CD GLU A 26 13.632 2.135 1.458 1.00 2.25 C ATOM 116 OE1 GLU A 26 13.886 1.441 0.489 1.00 2.17 O ATOM 117 OE2 GLU A 26 12.640 2.824 1.556 1.00 3.15 O ATOM 0 H GLU A 26 14.668 3.953 1.193 1.00 0.57 H new ATOM 0 HA GLU A 26 16.947 3.928 2.846 1.00 0.86 H new ATOM 0 HB2 GLU A 26 16.100 1.584 1.164 1.00 1.10 H new ATOM 0 HB3 GLU A 26 16.685 1.588 2.816 1.00 1.10 H new ATOM 0 HG2 GLU A 26 14.471 1.238 3.227 1.00 1.43 H new ATOM 0 HG3 GLU A 26 14.473 2.990 3.247 1.00 1.43 H new ATOM 124 N LEU A 27 17.357 3.492 -0.342 1.00 0.54 N ATOM 125 CA LEU A 27 18.309 3.355 -1.468 1.00 0.51 C ATOM 126 C LEU A 27 19.197 4.562 -1.656 1.00 0.49 C ATOM 127 O LEU A 27 20.298 4.418 -2.141 1.00 0.67 O ATOM 128 CB LEU A 27 17.455 3.073 -2.715 1.00 0.64 C ATOM 129 CG LEU A 27 16.629 1.778 -2.525 1.00 0.22 C ATOM 130 CD1 LEU A 27 15.715 1.547 -3.763 1.00 0.55 C ATOM 131 CD2 LEU A 27 17.646 0.615 -2.485 1.00 0.82 C ATOM 0 H LEU A 27 16.407 3.729 -0.627 1.00 0.54 H new ATOM 0 HA LEU A 27 19.008 2.543 -1.267 1.00 0.51 H new ATOM 0 HB2 LEU A 27 16.787 3.913 -2.903 1.00 0.64 H new ATOM 0 HB3 LEU A 27 18.099 2.976 -3.589 1.00 0.64 H new ATOM 0 HG LEU A 27 16.019 1.843 -1.624 1.00 0.22 H new ATOM 0 HD11 LEU A 27 15.136 0.634 -3.623 1.00 0.55 H new ATOM 0 HD12 LEU A 27 15.037 2.393 -3.877 1.00 0.55 H new ATOM 0 HD13 LEU A 27 16.331 1.453 -4.657 1.00 0.55 H new ATOM 0 HD21 LEU A 27 17.115 -0.328 -2.352 1.00 0.82 H new ATOM 0 HD22 LEU A 27 18.205 0.588 -3.420 1.00 0.82 H new ATOM 0 HD23 LEU A 27 18.336 0.763 -1.654 1.00 0.82 H new ATOM 143 N VAL A 28 18.735 5.717 -1.298 1.00 0.48 N ATOM 144 CA VAL A 28 19.584 6.929 -1.463 1.00 0.44 C ATOM 145 C VAL A 28 21.025 6.599 -0.967 1.00 0.43 C ATOM 146 O VAL A 28 21.196 6.099 0.131 1.00 0.44 O ATOM 147 CB VAL A 28 18.943 8.054 -0.632 1.00 0.31 C ATOM 148 CG1 VAL A 28 19.643 9.364 -0.962 1.00 0.40 C ATOM 149 CG2 VAL A 28 17.430 8.180 -0.933 1.00 0.24 C ATOM 0 H VAL A 28 17.811 5.880 -0.899 1.00 0.48 H new ATOM 0 HA VAL A 28 19.651 7.245 -2.504 1.00 0.44 H new ATOM 0 HB VAL A 28 19.055 7.819 0.426 1.00 0.31 H new ATOM 0 HG11 VAL A 28 19.198 10.171 -0.380 1.00 0.40 H new ATOM 0 HG12 VAL A 28 20.702 9.282 -0.719 1.00 0.40 H new ATOM 0 HG13 VAL A 28 19.531 9.579 -2.025 1.00 0.40 H new ATOM 0 HG21 VAL A 28 17.005 8.983 -0.331 1.00 0.24 H new ATOM 0 HG22 VAL A 28 17.287 8.404 -1.990 1.00 0.24 H new ATOM 0 HG23 VAL A 28 16.931 7.242 -0.690 1.00 0.24 H new ATOM 159 N GLY A 29 22.009 6.875 -1.771 1.00 0.41 N ATOM 160 CA GLY A 29 23.437 6.581 -1.394 1.00 0.41 C ATOM 161 C GLY A 29 23.866 5.155 -1.803 1.00 0.43 C ATOM 162 O GLY A 29 24.987 4.757 -1.547 1.00 0.51 O ATOM 0 H GLY A 29 21.893 7.299 -2.691 1.00 0.41 H new ATOM 0 HA2 GLY A 29 24.094 7.307 -1.872 1.00 0.41 H new ATOM 0 HA3 GLY A 29 23.559 6.701 -0.317 1.00 0.41 H new ATOM 166 N LYS A 30 22.968 4.425 -2.414 1.00 0.38 N ATOM 167 CA LYS A 30 23.268 3.010 -2.866 1.00 0.39 C ATOM 168 C LYS A 30 23.351 2.863 -4.399 1.00 0.27 C ATOM 169 O LYS A 30 23.228 3.862 -5.070 1.00 0.32 O ATOM 170 CB LYS A 30 22.173 2.109 -2.311 1.00 0.48 C ATOM 171 CG LYS A 30 22.221 2.193 -0.791 1.00 0.65 C ATOM 172 CD LYS A 30 21.338 1.069 -0.225 1.00 0.98 C ATOM 173 CE LYS A 30 21.457 1.054 1.285 1.00 1.22 C ATOM 174 NZ LYS A 30 21.073 2.402 1.815 1.00 3.27 N ATOM 0 H LYS A 30 22.023 4.744 -2.627 1.00 0.38 H new ATOM 0 HA LYS A 30 24.251 2.729 -2.489 1.00 0.39 H new ATOM 0 HB2 LYS A 30 21.197 2.424 -2.680 1.00 0.48 H new ATOM 0 HB3 LYS A 30 22.322 1.081 -2.641 1.00 0.48 H new ATOM 0 HG2 LYS A 30 23.246 2.088 -0.436 1.00 0.65 H new ATOM 0 HG3 LYS A 30 21.864 3.165 -0.452 1.00 0.65 H new ATOM 0 HD2 LYS A 30 20.300 1.223 -0.518 1.00 0.98 H new ATOM 0 HD3 LYS A 30 21.645 0.107 -0.635 1.00 0.98 H new ATOM 0 HE2 LYS A 30 20.810 0.285 1.707 1.00 1.22 H new ATOM 0 HE3 LYS A 30 22.477 0.809 1.580 1.00 1.22 H new ATOM 0 HZ1 LYS A 30 20.871 2.330 2.833 1.00 3.27 H new ATOM 0 HZ2 LYS A 30 21.855 3.070 1.663 1.00 3.27 H new ATOM 0 HZ3 LYS A 30 20.226 2.742 1.317 1.00 3.27 H new ATOM 188 N SER A 31 23.521 1.663 -4.921 1.00 0.20 N ATOM 189 CA SER A 31 23.614 1.518 -6.426 1.00 0.18 C ATOM 190 C SER A 31 22.223 1.468 -7.063 1.00 0.19 C ATOM 191 O SER A 31 21.249 1.019 -6.483 1.00 0.31 O ATOM 192 CB SER A 31 24.372 0.208 -6.820 1.00 0.24 C ATOM 193 OG SER A 31 23.463 -0.880 -6.639 1.00 0.25 O ATOM 0 H SER A 31 23.598 0.796 -4.389 1.00 0.20 H new ATOM 0 HA SER A 31 24.159 2.388 -6.792 1.00 0.18 H new ATOM 0 HB2 SER A 31 24.712 0.257 -7.855 1.00 0.24 H new ATOM 0 HB3 SER A 31 25.258 0.075 -6.200 1.00 0.24 H new ATOM 0 HG SER A 31 23.906 -1.720 -6.879 1.00 0.25 H new ATOM 199 N VAL A 32 22.149 1.943 -8.270 1.00 0.08 N ATOM 200 CA VAL A 32 20.831 1.929 -8.944 1.00 0.07 C ATOM 201 C VAL A 32 20.386 0.505 -9.236 1.00 0.07 C ATOM 202 O VAL A 32 19.254 0.178 -8.980 1.00 0.09 O ATOM 203 CB VAL A 32 20.966 2.792 -10.218 1.00 0.06 C ATOM 204 CG1 VAL A 32 21.813 2.112 -11.305 1.00 0.10 C ATOM 205 CG2 VAL A 32 19.563 3.085 -10.735 1.00 0.07 C ATOM 0 H VAL A 32 22.924 2.331 -8.807 1.00 0.08 H new ATOM 0 HA VAL A 32 20.053 2.348 -8.306 1.00 0.07 H new ATOM 0 HB VAL A 32 21.488 3.715 -9.965 1.00 0.06 H new ATOM 0 HG11 VAL A 32 21.875 2.762 -12.178 1.00 0.10 H new ATOM 0 HG12 VAL A 32 22.815 1.924 -10.921 1.00 0.10 H new ATOM 0 HG13 VAL A 32 21.350 1.167 -11.589 1.00 0.10 H new ATOM 0 HG21 VAL A 32 19.627 3.694 -11.636 1.00 0.07 H new ATOM 0 HG22 VAL A 32 19.057 2.148 -10.966 1.00 0.07 H new ATOM 0 HG23 VAL A 32 18.999 3.623 -9.973 1.00 0.07 H new ATOM 215 N GLU A 33 21.238 -0.330 -9.754 1.00 0.11 N ATOM 216 CA GLU A 33 20.807 -1.724 -10.034 1.00 0.08 C ATOM 217 C GLU A 33 20.312 -2.366 -8.733 1.00 0.04 C ATOM 218 O GLU A 33 19.320 -3.071 -8.750 1.00 0.10 O ATOM 219 CB GLU A 33 22.030 -2.415 -10.689 1.00 0.15 C ATOM 220 CG GLU A 33 22.417 -1.583 -11.982 1.00 0.30 C ATOM 221 CD GLU A 33 21.232 -1.308 -12.926 1.00 0.55 C ATOM 222 OE1 GLU A 33 20.241 -2.023 -12.927 1.00 0.94 O ATOM 223 OE2 GLU A 33 21.363 -0.339 -13.652 1.00 1.51 O ATOM 0 H GLU A 33 22.205 -0.111 -9.994 1.00 0.11 H new ATOM 0 HA GLU A 33 19.964 -1.806 -10.719 1.00 0.08 H new ATOM 0 HB2 GLU A 33 22.868 -2.451 -9.992 1.00 0.15 H new ATOM 0 HB3 GLU A 33 21.791 -3.445 -10.954 1.00 0.15 H new ATOM 0 HG2 GLU A 33 22.851 -0.632 -11.673 1.00 0.30 H new ATOM 0 HG3 GLU A 33 23.189 -2.122 -12.531 1.00 0.30 H new ATOM 230 N GLU A 34 20.978 -2.137 -7.630 1.00 0.05 N ATOM 231 CA GLU A 34 20.498 -2.733 -6.344 1.00 0.05 C ATOM 232 C GLU A 34 19.117 -2.085 -6.095 1.00 0.08 C ATOM 233 O GLU A 34 18.145 -2.757 -5.808 1.00 0.13 O ATOM 234 CB GLU A 34 21.475 -2.358 -5.269 1.00 0.04 C ATOM 235 CG GLU A 34 20.957 -2.865 -3.897 1.00 0.83 C ATOM 236 CD GLU A 34 21.109 -1.759 -2.847 1.00 1.92 C ATOM 237 OE1 GLU A 34 22.169 -1.140 -2.845 1.00 1.93 O ATOM 238 OE2 GLU A 34 20.148 -1.600 -2.103 1.00 3.01 O ATOM 0 H GLU A 34 21.823 -1.570 -7.562 1.00 0.05 H new ATOM 0 HA GLU A 34 20.418 -3.820 -6.363 1.00 0.05 H new ATOM 0 HB2 GLU A 34 22.452 -2.792 -5.483 1.00 0.04 H new ATOM 0 HB3 GLU A 34 21.605 -1.276 -5.243 1.00 0.04 H new ATOM 0 HG2 GLU A 34 19.911 -3.161 -3.979 1.00 0.83 H new ATOM 0 HG3 GLU A 34 21.515 -3.750 -3.591 1.00 0.83 H new ATOM 245 N ALA A 35 19.062 -0.781 -6.193 1.00 0.07 N ATOM 246 CA ALA A 35 17.782 -0.061 -5.989 1.00 0.08 C ATOM 247 C ALA A 35 16.701 -0.782 -6.766 1.00 0.12 C ATOM 248 O ALA A 35 15.659 -1.081 -6.233 1.00 0.17 O ATOM 249 CB ALA A 35 17.940 1.380 -6.494 1.00 0.13 C ATOM 0 H ALA A 35 19.861 -0.184 -6.408 1.00 0.07 H new ATOM 0 HA ALA A 35 17.510 -0.036 -4.934 1.00 0.08 H new ATOM 0 HB1 ALA A 35 17.005 1.921 -6.350 1.00 0.13 H new ATOM 0 HB2 ALA A 35 18.735 1.876 -5.937 1.00 0.13 H new ATOM 0 HB3 ALA A 35 18.192 1.368 -7.554 1.00 0.13 H new ATOM 255 N LYS A 36 16.988 -1.036 -8.009 1.00 0.10 N ATOM 256 CA LYS A 36 16.015 -1.746 -8.873 1.00 0.16 C ATOM 257 C LYS A 36 15.696 -3.042 -8.136 1.00 0.19 C ATOM 258 O LYS A 36 14.543 -3.294 -7.895 1.00 0.19 O ATOM 259 CB LYS A 36 16.681 -1.991 -10.250 1.00 0.25 C ATOM 260 CG LYS A 36 17.009 -0.654 -10.934 1.00 0.12 C ATOM 261 CD LYS A 36 17.188 -0.954 -12.426 1.00 0.22 C ATOM 262 CE LYS A 36 17.756 0.249 -13.173 1.00 0.25 C ATOM 263 NZ LYS A 36 18.769 -0.229 -14.165 1.00 0.66 N ATOM 0 H LYS A 36 17.863 -0.779 -8.466 1.00 0.10 H new ATOM 0 HA LYS A 36 15.095 -1.191 -9.059 1.00 0.16 H new ATOM 0 HB2 LYS A 36 17.593 -2.574 -10.121 1.00 0.25 H new ATOM 0 HB3 LYS A 36 16.015 -2.577 -10.884 1.00 0.25 H new ATOM 0 HG2 LYS A 36 16.207 0.067 -10.778 1.00 0.12 H new ATOM 0 HG3 LYS A 36 17.916 -0.218 -10.516 1.00 0.12 H new ATOM 0 HD2 LYS A 36 17.854 -1.808 -12.549 1.00 0.22 H new ATOM 0 HD3 LYS A 36 16.228 -1.233 -12.860 1.00 0.22 H new ATOM 0 HE2 LYS A 36 16.957 0.789 -13.681 1.00 0.25 H new ATOM 0 HE3 LYS A 36 18.215 0.946 -12.472 1.00 0.25 H new ATOM 0 HZ1 LYS A 36 19.651 0.310 -14.048 1.00 0.66 H new ATOM 0 HZ2 LYS A 36 18.958 -1.240 -14.009 1.00 0.66 H new ATOM 0 HZ3 LYS A 36 18.403 -0.090 -15.129 1.00 0.66 H new ATOM 277 N LYS A 37 16.662 -3.841 -7.782 1.00 0.23 N ATOM 278 CA LYS A 37 16.343 -5.108 -7.045 1.00 0.30 C ATOM 279 C LYS A 37 15.356 -4.839 -5.866 1.00 0.27 C ATOM 280 O LYS A 37 14.367 -5.528 -5.703 1.00 0.26 O ATOM 281 CB LYS A 37 17.684 -5.695 -6.552 1.00 0.39 C ATOM 282 CG LYS A 37 18.509 -6.149 -7.778 1.00 1.13 C ATOM 283 CD LYS A 37 19.974 -6.537 -7.401 1.00 1.25 C ATOM 284 CE LYS A 37 20.057 -7.412 -6.152 1.00 0.75 C ATOM 285 NZ LYS A 37 21.505 -7.716 -5.901 1.00 2.02 N ATOM 0 H LYS A 37 17.652 -3.680 -7.966 1.00 0.23 H new ATOM 0 HA LYS A 37 15.841 -5.821 -7.698 1.00 0.30 H new ATOM 0 HB2 LYS A 37 18.236 -4.948 -5.981 1.00 0.39 H new ATOM 0 HB3 LYS A 37 17.505 -6.538 -5.885 1.00 0.39 H new ATOM 0 HG2 LYS A 37 18.019 -7.003 -8.246 1.00 1.13 H new ATOM 0 HG3 LYS A 37 18.527 -5.348 -8.517 1.00 1.13 H new ATOM 0 HD2 LYS A 37 20.431 -7.064 -8.238 1.00 1.25 H new ATOM 0 HD3 LYS A 37 20.555 -5.629 -7.241 1.00 1.25 H new ATOM 0 HE2 LYS A 37 19.620 -6.898 -5.296 1.00 0.75 H new ATOM 0 HE3 LYS A 37 19.492 -8.333 -6.293 1.00 0.75 H new ATOM 0 HZ1 LYS A 37 21.593 -8.312 -5.054 1.00 2.02 H new ATOM 0 HZ2 LYS A 37 21.901 -8.219 -6.721 1.00 2.02 H new ATOM 0 HZ3 LYS A 37 22.026 -6.828 -5.755 1.00 2.02 H new ATOM 299 N VAL A 38 15.647 -3.840 -5.079 1.00 0.28 N ATOM 300 CA VAL A 38 14.760 -3.494 -3.920 1.00 0.26 C ATOM 301 C VAL A 38 13.382 -3.138 -4.466 1.00 0.14 C ATOM 302 O VAL A 38 12.377 -3.719 -4.113 1.00 0.13 O ATOM 303 CB VAL A 38 15.439 -2.326 -3.192 1.00 0.26 C ATOM 304 CG1 VAL A 38 14.487 -1.676 -2.215 1.00 0.25 C ATOM 305 CG2 VAL A 38 16.656 -2.880 -2.428 1.00 0.33 C ATOM 0 H VAL A 38 16.466 -3.241 -5.186 1.00 0.28 H new ATOM 0 HA VAL A 38 14.621 -4.314 -3.215 1.00 0.26 H new ATOM 0 HB VAL A 38 15.746 -1.574 -3.919 1.00 0.26 H new ATOM 0 HG11 VAL A 38 14.990 -0.851 -1.711 1.00 0.25 H new ATOM 0 HG12 VAL A 38 13.617 -1.297 -2.752 1.00 0.25 H new ATOM 0 HG13 VAL A 38 14.166 -2.411 -1.477 1.00 0.25 H new ATOM 0 HG21 VAL A 38 17.156 -2.067 -1.902 1.00 0.33 H new ATOM 0 HG22 VAL A 38 16.324 -3.628 -1.708 1.00 0.33 H new ATOM 0 HG23 VAL A 38 17.351 -3.337 -3.133 1.00 0.33 H new ATOM 315 N ILE A 39 13.352 -2.185 -5.342 1.00 0.10 N ATOM 316 CA ILE A 39 12.070 -1.748 -5.948 1.00 0.05 C ATOM 317 C ILE A 39 11.331 -2.978 -6.450 1.00 0.06 C ATOM 318 O ILE A 39 10.150 -3.077 -6.218 1.00 0.09 O ATOM 319 CB ILE A 39 12.494 -0.743 -6.994 1.00 0.09 C ATOM 320 CG1 ILE A 39 12.938 0.461 -6.092 1.00 0.08 C ATOM 321 CG2 ILE A 39 11.265 -0.328 -7.821 1.00 0.10 C ATOM 322 CD1 ILE A 39 13.854 1.451 -6.752 1.00 0.11 C ATOM 0 H ILE A 39 14.175 -1.680 -5.671 1.00 0.10 H new ATOM 0 HA ILE A 39 11.353 -1.271 -5.280 1.00 0.05 H new ATOM 0 HB ILE A 39 13.254 -1.098 -7.690 1.00 0.09 H new ATOM 0 HG12 ILE A 39 12.046 0.987 -5.751 1.00 0.08 H new ATOM 0 HG13 ILE A 39 13.434 0.066 -5.205 1.00 0.08 H new ATOM 0 HG21 ILE A 39 11.564 0.397 -8.578 1.00 0.10 H new ATOM 0 HG22 ILE A 39 10.840 -1.206 -8.307 1.00 0.10 H new ATOM 0 HG23 ILE A 39 10.519 0.119 -7.164 1.00 0.10 H new ATOM 0 HD11 ILE A 39 14.102 2.244 -6.046 1.00 0.11 H new ATOM 0 HD12 ILE A 39 14.767 0.947 -7.068 1.00 0.11 H new ATOM 0 HD13 ILE A 39 13.358 1.882 -7.622 1.00 0.11 H new ATOM 334 N LEU A 40 11.985 -3.880 -7.120 1.00 0.06 N ATOM 335 CA LEU A 40 11.251 -5.090 -7.582 1.00 0.07 C ATOM 336 C LEU A 40 10.813 -5.860 -6.316 1.00 0.07 C ATOM 337 O LEU A 40 9.699 -6.327 -6.269 1.00 0.07 O ATOM 338 CB LEU A 40 12.199 -5.932 -8.466 1.00 0.08 C ATOM 339 CG LEU A 40 12.556 -5.162 -9.745 1.00 0.08 C ATOM 340 CD1 LEU A 40 13.357 -6.103 -10.635 1.00 0.09 C ATOM 341 CD2 LEU A 40 11.297 -4.761 -10.508 1.00 0.13 C ATOM 0 H LEU A 40 12.974 -3.837 -7.365 1.00 0.06 H new ATOM 0 HA LEU A 40 10.372 -4.844 -8.178 1.00 0.07 H new ATOM 0 HB2 LEU A 40 13.107 -6.172 -7.912 1.00 0.08 H new ATOM 0 HB3 LEU A 40 11.723 -6.878 -8.724 1.00 0.08 H new ATOM 0 HG LEU A 40 13.114 -4.263 -9.481 1.00 0.08 H new ATOM 0 HD11 LEU A 40 13.629 -5.588 -11.557 1.00 0.09 H new ATOM 0 HD12 LEU A 40 14.261 -6.416 -10.113 1.00 0.09 H new ATOM 0 HD13 LEU A 40 12.754 -6.979 -10.873 1.00 0.09 H new ATOM 0 HD21 LEU A 40 11.576 -4.217 -11.410 1.00 0.13 H new ATOM 0 HD22 LEU A 40 10.737 -5.655 -10.782 1.00 0.13 H new ATOM 0 HD23 LEU A 40 10.677 -4.124 -9.877 1.00 0.13 H new ATOM 353 N GLN A 41 11.659 -5.992 -5.333 1.00 0.10 N ATOM 354 CA GLN A 41 11.286 -6.724 -4.079 1.00 0.15 C ATOM 355 C GLN A 41 9.916 -6.235 -3.581 1.00 0.16 C ATOM 356 O GLN A 41 9.042 -7.005 -3.243 1.00 0.18 O ATOM 357 CB GLN A 41 12.398 -6.476 -2.999 1.00 0.23 C ATOM 358 CG GLN A 41 11.976 -5.464 -1.844 1.00 2.17 C ATOM 359 CD GLN A 41 13.080 -5.130 -0.869 1.00 2.40 C ATOM 360 OE1 GLN A 41 14.243 -5.671 -0.976 1.00 4.16 O flip ATOM 361 NE2 GLN A 41 12.910 -4.347 0.033 1.00 0.74 N flip ATOM 0 H GLN A 41 12.609 -5.620 -5.341 1.00 0.10 H new ATOM 0 HA GLN A 41 11.213 -7.794 -4.274 1.00 0.15 H new ATOM 0 HB2 GLN A 41 12.670 -7.431 -2.548 1.00 0.23 H new ATOM 0 HB3 GLN A 41 13.290 -6.092 -3.494 1.00 0.23 H new ATOM 0 HG2 GLN A 41 11.620 -4.540 -2.300 1.00 2.17 H new ATOM 0 HG3 GLN A 41 11.138 -5.891 -1.292 1.00 2.17 H new ATOM 0 HE21 GLN A 41 12.003 -3.896 0.153 1.00 0.74 H new ATOM 0 HE22 GLN A 41 13.673 -4.136 0.676 1.00 0.74 H new ATOM 370 N ASP A 42 9.818 -4.942 -3.565 1.00 0.15 N ATOM 371 CA ASP A 42 8.608 -4.224 -3.126 1.00 0.17 C ATOM 372 C ASP A 42 7.449 -4.324 -4.107 1.00 0.16 C ATOM 373 O ASP A 42 6.351 -4.736 -3.787 1.00 0.17 O ATOM 374 CB ASP A 42 9.065 -2.781 -2.925 1.00 0.19 C ATOM 375 CG ASP A 42 9.763 -2.598 -1.605 1.00 0.15 C ATOM 376 OD1 ASP A 42 9.096 -2.847 -0.618 1.00 0.72 O ATOM 377 OD2 ASP A 42 10.906 -2.202 -1.688 1.00 0.86 O ATOM 0 H ASP A 42 10.575 -4.324 -3.857 1.00 0.15 H new ATOM 0 HA ASP A 42 8.205 -4.665 -2.214 1.00 0.17 H new ATOM 0 HB2 ASP A 42 9.737 -2.496 -3.735 1.00 0.19 H new ATOM 0 HB3 ASP A 42 8.203 -2.116 -2.976 1.00 0.19 H new ATOM 382 N LYS A 43 7.772 -3.928 -5.293 1.00 0.17 N ATOM 383 CA LYS A 43 6.841 -3.900 -6.435 1.00 0.18 C ATOM 384 C LYS A 43 7.380 -4.769 -7.605 1.00 0.19 C ATOM 385 O LYS A 43 7.849 -4.252 -8.596 1.00 0.26 O ATOM 386 CB LYS A 43 6.741 -2.401 -6.678 1.00 0.18 C ATOM 387 CG LYS A 43 5.672 -2.111 -7.725 1.00 0.19 C ATOM 388 CD LYS A 43 5.528 -0.568 -7.923 1.00 0.24 C ATOM 389 CE LYS A 43 5.229 -0.195 -9.380 1.00 0.46 C ATOM 390 NZ LYS A 43 4.370 -1.234 -9.986 1.00 0.91 N ATOM 0 H LYS A 43 8.709 -3.601 -5.529 1.00 0.17 H new ATOM 0 HA LYS A 43 5.855 -4.339 -6.286 1.00 0.18 H new ATOM 0 HB2 LYS A 43 6.498 -1.889 -5.747 1.00 0.18 H new ATOM 0 HB3 LYS A 43 7.703 -2.014 -7.013 1.00 0.18 H new ATOM 0 HG2 LYS A 43 5.938 -2.585 -8.670 1.00 0.19 H new ATOM 0 HG3 LYS A 43 4.719 -2.537 -7.412 1.00 0.19 H new ATOM 0 HD2 LYS A 43 4.729 -0.195 -7.283 1.00 0.24 H new ATOM 0 HD3 LYS A 43 6.447 -0.076 -7.605 1.00 0.24 H new ATOM 0 HE2 LYS A 43 4.733 0.774 -9.424 1.00 0.46 H new ATOM 0 HE3 LYS A 43 6.159 -0.103 -9.942 1.00 0.46 H new ATOM 0 HZ1 LYS A 43 4.884 -1.702 -10.759 1.00 0.91 H new ATOM 0 HZ2 LYS A 43 4.115 -1.938 -9.264 1.00 0.91 H new ATOM 0 HZ3 LYS A 43 3.506 -0.794 -10.362 1.00 0.91 H new ATOM 404 N PRO A 44 7.299 -6.075 -7.468 1.00 0.16 N ATOM 405 CA PRO A 44 7.941 -7.058 -8.403 1.00 0.19 C ATOM 406 C PRO A 44 7.833 -6.722 -9.883 1.00 0.28 C ATOM 407 O PRO A 44 8.793 -6.802 -10.619 1.00 0.41 O ATOM 408 CB PRO A 44 7.280 -8.382 -8.002 1.00 0.19 C ATOM 409 CG PRO A 44 7.147 -8.195 -6.477 1.00 0.19 C ATOM 410 CD PRO A 44 6.569 -6.776 -6.378 1.00 0.18 C ATOM 0 HA PRO A 44 9.026 -7.072 -8.300 1.00 0.19 H new ATOM 0 HB2 PRO A 44 6.314 -8.524 -8.486 1.00 0.19 H new ATOM 0 HB3 PRO A 44 7.895 -9.244 -8.260 1.00 0.19 H new ATOM 0 HG2 PRO A 44 6.485 -8.937 -6.031 1.00 0.19 H new ATOM 0 HG3 PRO A 44 8.108 -8.280 -5.970 1.00 0.19 H new ATOM 0 HD2 PRO A 44 5.490 -6.762 -6.533 1.00 0.18 H new ATOM 0 HD3 PRO A 44 6.757 -6.325 -5.404 1.00 0.18 H new ATOM 418 N GLU A 45 6.650 -6.355 -10.268 1.00 0.43 N ATOM 419 CA GLU A 45 6.346 -5.990 -11.664 1.00 0.65 C ATOM 420 C GLU A 45 6.791 -4.575 -12.092 1.00 0.66 C ATOM 421 O GLU A 45 6.708 -4.244 -13.257 1.00 1.01 O ATOM 422 CB GLU A 45 4.809 -6.239 -11.765 1.00 0.88 C ATOM 423 CG GLU A 45 3.904 -5.705 -10.539 1.00 0.24 C ATOM 424 CD GLU A 45 4.024 -4.224 -10.189 1.00 1.63 C ATOM 425 OE1 GLU A 45 4.596 -3.493 -10.962 1.00 2.38 O ATOM 426 OE2 GLU A 45 3.536 -3.821 -9.147 1.00 2.44 O ATOM 0 H GLU A 45 5.849 -6.292 -9.640 1.00 0.43 H new ATOM 0 HA GLU A 45 6.921 -6.587 -12.372 1.00 0.65 H new ATOM 0 HB2 GLU A 45 4.449 -5.773 -12.682 1.00 0.88 H new ATOM 0 HB3 GLU A 45 4.644 -7.312 -11.867 1.00 0.88 H new ATOM 0 HG2 GLU A 45 2.860 -5.916 -10.770 1.00 0.24 H new ATOM 0 HG3 GLU A 45 4.157 -6.285 -9.652 1.00 0.24 H new ATOM 433 N ALA A 46 7.257 -3.787 -11.167 1.00 0.35 N ATOM 434 CA ALA A 46 7.697 -2.405 -11.486 1.00 0.37 C ATOM 435 C ALA A 46 8.556 -2.103 -12.734 1.00 0.30 C ATOM 436 O ALA A 46 9.504 -2.778 -13.100 1.00 0.39 O ATOM 437 CB ALA A 46 8.419 -1.856 -10.212 1.00 0.29 C ATOM 0 H ALA A 46 7.353 -4.048 -10.186 1.00 0.35 H new ATOM 0 HA ALA A 46 6.768 -1.911 -11.771 1.00 0.37 H new ATOM 0 HB1 ALA A 46 8.762 -0.838 -10.398 1.00 0.29 H new ATOM 0 HB2 ALA A 46 7.725 -1.857 -9.372 1.00 0.29 H new ATOM 0 HB3 ALA A 46 9.274 -2.490 -9.977 1.00 0.29 H new ATOM 443 N GLN A 47 8.155 -1.016 -13.338 1.00 0.14 N ATOM 444 CA GLN A 47 8.830 -0.503 -14.561 1.00 0.16 C ATOM 445 C GLN A 47 9.789 0.458 -13.883 1.00 0.24 C ATOM 446 O GLN A 47 9.438 1.552 -13.484 1.00 0.40 O ATOM 447 CB GLN A 47 7.983 0.385 -15.485 1.00 0.60 C ATOM 448 CG GLN A 47 6.653 -0.179 -15.912 1.00 0.35 C ATOM 449 CD GLN A 47 6.065 0.849 -16.914 1.00 0.60 C ATOM 450 OE1 GLN A 47 5.694 1.972 -16.629 1.00 1.48 O ATOM 451 NE2 GLN A 47 5.969 0.519 -18.153 1.00 1.03 N ATOM 0 H GLN A 47 7.367 -0.450 -13.024 1.00 0.14 H new ATOM 0 HA GLN A 47 9.182 -1.320 -15.190 1.00 0.16 H new ATOM 0 HB2 GLN A 47 7.806 1.335 -14.980 1.00 0.60 H new ATOM 0 HB3 GLN A 47 8.566 0.603 -16.380 1.00 0.60 H new ATOM 0 HG2 GLN A 47 6.774 -1.156 -16.379 1.00 0.35 H new ATOM 0 HG3 GLN A 47 5.992 -0.314 -15.056 1.00 0.35 H new ATOM 0 HE21 GLN A 47 6.263 -0.409 -18.458 1.00 1.03 H new ATOM 0 HE22 GLN A 47 5.599 1.185 -18.831 1.00 1.03 H new ATOM 460 N ILE A 48 10.999 0.035 -13.757 1.00 0.35 N ATOM 461 CA ILE A 48 12.036 0.882 -13.099 1.00 0.36 C ATOM 462 C ILE A 48 12.711 1.758 -14.176 1.00 0.35 C ATOM 463 O ILE A 48 13.458 1.302 -15.017 1.00 0.37 O ATOM 464 CB ILE A 48 13.074 -0.020 -12.440 1.00 0.43 C ATOM 465 CG1 ILE A 48 12.506 -1.387 -11.939 1.00 0.84 C ATOM 466 CG2 ILE A 48 13.634 0.803 -11.228 1.00 0.30 C ATOM 467 CD1 ILE A 48 11.740 -1.256 -10.657 1.00 0.91 C ATOM 0 H ILE A 48 11.330 -0.873 -14.083 1.00 0.35 H new ATOM 0 HA ILE A 48 11.581 1.518 -12.339 1.00 0.36 H new ATOM 0 HB ILE A 48 13.835 -0.288 -13.173 1.00 0.43 H new ATOM 0 HG12 ILE A 48 11.856 -1.809 -12.705 1.00 0.84 H new ATOM 0 HG13 ILE A 48 13.328 -2.088 -11.797 1.00 0.84 H new ATOM 0 HG21 ILE A 48 14.388 0.214 -10.706 1.00 0.30 H new ATOM 0 HG22 ILE A 48 14.083 1.727 -11.592 1.00 0.30 H new ATOM 0 HG23 ILE A 48 12.820 1.041 -10.543 1.00 0.30 H new ATOM 0 HD11 ILE A 48 11.368 -2.235 -10.354 1.00 0.91 H new ATOM 0 HD12 ILE A 48 12.395 -0.861 -9.881 1.00 0.91 H new ATOM 0 HD13 ILE A 48 10.900 -0.577 -10.803 1.00 0.91 H new ATOM 479 N ILE A 49 12.420 3.015 -14.087 1.00 0.35 N ATOM 480 CA ILE A 49 12.925 4.087 -15.014 1.00 0.37 C ATOM 481 C ILE A 49 14.021 4.964 -14.372 1.00 0.36 C ATOM 482 O ILE A 49 14.107 4.976 -13.171 1.00 0.38 O ATOM 483 CB ILE A 49 11.702 4.886 -15.365 1.00 0.40 C ATOM 484 CG1 ILE A 49 10.730 3.908 -16.082 1.00 0.32 C ATOM 485 CG2 ILE A 49 12.059 6.220 -16.068 1.00 0.51 C ATOM 486 CD1 ILE A 49 9.878 4.585 -17.105 1.00 0.49 C ATOM 0 H ILE A 49 11.807 3.380 -13.358 1.00 0.35 H new ATOM 0 HA ILE A 49 13.409 3.661 -15.893 1.00 0.37 H new ATOM 0 HB ILE A 49 11.167 5.269 -14.496 1.00 0.40 H new ATOM 0 HG12 ILE A 49 11.306 3.117 -16.562 1.00 0.32 H new ATOM 0 HG13 ILE A 49 10.089 3.431 -15.340 1.00 0.32 H new ATOM 0 HG21 ILE A 49 11.144 6.764 -16.303 1.00 0.51 H new ATOM 0 HG22 ILE A 49 12.681 6.824 -15.408 1.00 0.51 H new ATOM 0 HG23 ILE A 49 12.604 6.012 -16.989 1.00 0.51 H new ATOM 0 HD11 ILE A 49 9.220 3.853 -17.573 1.00 0.49 H new ATOM 0 HD12 ILE A 49 9.278 5.358 -16.625 1.00 0.49 H new ATOM 0 HD13 ILE A 49 10.514 5.039 -17.865 1.00 0.49 H new ATOM 498 N VAL A 50 14.828 5.682 -15.125 1.00 0.35 N ATOM 499 CA VAL A 50 15.909 6.557 -14.558 1.00 0.37 C ATOM 500 C VAL A 50 15.998 8.033 -15.090 1.00 0.40 C ATOM 501 O VAL A 50 15.789 8.292 -16.258 1.00 0.39 O ATOM 502 CB VAL A 50 17.277 5.861 -14.806 1.00 0.37 C ATOM 503 CG1 VAL A 50 18.390 6.603 -14.064 1.00 0.43 C ATOM 504 CG2 VAL A 50 17.258 4.421 -14.278 1.00 0.35 C ATOM 0 H VAL A 50 14.778 5.697 -16.144 1.00 0.35 H new ATOM 0 HA VAL A 50 15.648 6.666 -13.505 1.00 0.37 H new ATOM 0 HB VAL A 50 17.456 5.868 -15.881 1.00 0.37 H new ATOM 0 HG11 VAL A 50 19.343 6.106 -14.246 1.00 0.43 H new ATOM 0 HG12 VAL A 50 18.443 7.631 -14.422 1.00 0.43 H new ATOM 0 HG13 VAL A 50 18.178 6.602 -12.995 1.00 0.43 H new ATOM 0 HG21 VAL A 50 18.225 3.953 -14.462 1.00 0.35 H new ATOM 0 HG22 VAL A 50 17.057 4.429 -13.207 1.00 0.35 H new ATOM 0 HG23 VAL A 50 16.479 3.856 -14.789 1.00 0.35 H new ATOM 514 N LEU A 51 16.303 8.938 -14.189 1.00 0.43 N ATOM 515 CA LEU A 51 16.469 10.420 -14.406 1.00 0.42 C ATOM 516 C LEU A 51 17.412 10.866 -13.244 1.00 0.19 C ATOM 517 O LEU A 51 18.120 10.051 -12.681 1.00 0.25 O ATOM 518 CB LEU A 51 15.100 11.148 -14.263 1.00 0.51 C ATOM 519 CG LEU A 51 14.608 11.027 -12.790 1.00 0.44 C ATOM 520 CD1 LEU A 51 13.653 12.172 -12.439 1.00 0.56 C ATOM 521 CD2 LEU A 51 13.856 9.746 -12.605 1.00 0.76 C ATOM 0 H LEU A 51 16.458 8.679 -13.215 1.00 0.43 H new ATOM 0 HA LEU A 51 16.859 10.653 -15.397 1.00 0.42 H new ATOM 0 HB2 LEU A 51 15.202 12.197 -14.540 1.00 0.51 H new ATOM 0 HB3 LEU A 51 14.368 10.709 -14.941 1.00 0.51 H new ATOM 0 HG LEU A 51 15.487 11.060 -12.146 1.00 0.44 H new ATOM 0 HD11 LEU A 51 13.323 12.066 -11.406 1.00 0.56 H new ATOM 0 HD12 LEU A 51 14.168 13.125 -12.560 1.00 0.56 H new ATOM 0 HD13 LEU A 51 12.788 12.140 -13.101 1.00 0.56 H new ATOM 0 HD21 LEU A 51 13.516 9.670 -11.572 1.00 0.76 H new ATOM 0 HD22 LEU A 51 12.995 9.730 -13.273 1.00 0.76 H new ATOM 0 HD23 LEU A 51 14.509 8.904 -12.835 1.00 0.76 H new ATOM 759 N ASP A 66 2.631 1.337 -11.263 1.00 0.43 N ATOM 760 CA ASP A 66 3.295 0.352 -12.172 1.00 0.11 C ATOM 761 C ASP A 66 4.818 0.580 -12.296 1.00 0.21 C ATOM 762 O ASP A 66 5.640 -0.302 -12.200 1.00 0.32 O ATOM 763 CB ASP A 66 2.666 0.512 -13.541 1.00 0.65 C ATOM 764 CG ASP A 66 2.544 2.007 -13.862 1.00 1.51 C ATOM 765 OD1 ASP A 66 1.548 2.551 -13.418 1.00 1.99 O ATOM 766 OD2 ASP A 66 3.447 2.521 -14.494 1.00 2.05 O ATOM 0 HA ASP A 66 3.156 -0.647 -11.760 1.00 0.11 H new ATOM 0 HB2 ASP A 66 3.274 0.013 -14.296 1.00 0.65 H new ATOM 0 HB3 ASP A 66 1.683 0.041 -13.561 1.00 0.65 H new ATOM 771 N ARG A 67 5.104 1.826 -12.500 1.00 0.29 N ATOM 772 CA ARG A 67 6.483 2.389 -12.684 1.00 0.33 C ATOM 773 C ARG A 67 7.067 3.037 -11.431 1.00 0.20 C ATOM 774 O ARG A 67 6.345 3.400 -10.532 1.00 0.12 O ATOM 775 CB ARG A 67 6.375 3.409 -13.837 1.00 0.43 C ATOM 776 CG ARG A 67 7.487 4.464 -13.790 1.00 1.37 C ATOM 777 CD ARG A 67 7.575 5.208 -15.081 1.00 1.27 C ATOM 778 NE ARG A 67 6.209 5.683 -15.428 1.00 0.56 N ATOM 779 CZ ARG A 67 5.859 5.803 -16.650 1.00 1.22 C ATOM 780 NH1 ARG A 67 5.510 4.749 -17.288 1.00 2.07 N ATOM 781 NH2 ARG A 67 5.899 6.990 -17.105 1.00 1.80 N ATOM 0 H ARG A 67 4.380 2.543 -12.552 1.00 0.29 H new ATOM 0 HA ARG A 67 7.176 1.578 -12.908 1.00 0.33 H new ATOM 0 HB2 ARG A 67 6.418 2.882 -14.790 1.00 0.43 H new ATOM 0 HB3 ARG A 67 5.405 3.905 -13.790 1.00 0.43 H new ATOM 0 HG2 ARG A 67 7.295 5.163 -12.976 1.00 1.37 H new ATOM 0 HG3 ARG A 67 8.441 3.982 -13.578 1.00 1.37 H new ATOM 0 HD2 ARG A 67 8.260 6.051 -14.990 1.00 1.27 H new ATOM 0 HD3 ARG A 67 7.966 4.563 -15.868 1.00 1.27 H new ATOM 0 HE ARG A 67 5.548 5.914 -14.686 1.00 0.56 H new ATOM 0 HH11 ARG A 67 5.516 3.843 -16.819 1.00 2.07 H new ATOM 0 HH12 ARG A 67 5.226 4.815 -18.265 1.00 2.07 H new ATOM 0 HH21 ARG A 67 6.195 7.758 -16.502 1.00 1.80 H new ATOM 0 HH22 ARG A 67 5.635 7.174 -18.073 1.00 1.80 H new ATOM 795 N VAL A 68 8.373 3.112 -11.455 1.00 0.23 N ATOM 796 CA VAL A 68 9.191 3.727 -10.364 1.00 0.21 C ATOM 797 C VAL A 68 10.233 4.495 -11.165 1.00 0.25 C ATOM 798 O VAL A 68 10.807 3.908 -12.053 1.00 0.29 O ATOM 799 CB VAL A 68 9.855 2.631 -9.485 1.00 0.18 C ATOM 800 CG1 VAL A 68 10.695 3.370 -8.377 1.00 0.13 C ATOM 801 CG2 VAL A 68 8.738 1.791 -8.804 1.00 0.18 C ATOM 0 H VAL A 68 8.934 2.753 -12.228 1.00 0.23 H new ATOM 0 HA VAL A 68 8.622 4.344 -9.669 1.00 0.21 H new ATOM 0 HB VAL A 68 10.489 1.974 -10.081 1.00 0.18 H new ATOM 0 HG11 VAL A 68 11.179 2.633 -7.736 1.00 0.13 H new ATOM 0 HG12 VAL A 68 11.453 3.993 -8.851 1.00 0.13 H new ATOM 0 HG13 VAL A 68 10.035 3.995 -7.776 1.00 0.13 H new ATOM 0 HG21 VAL A 68 9.191 1.018 -8.184 1.00 0.18 H new ATOM 0 HG22 VAL A 68 8.122 2.441 -8.182 1.00 0.18 H new ATOM 0 HG23 VAL A 68 8.116 1.325 -9.568 1.00 0.18 H new ATOM 811 N ARG A 69 10.483 5.740 -10.905 1.00 0.37 N ATOM 812 CA ARG A 69 11.520 6.447 -11.726 1.00 0.56 C ATOM 813 C ARG A 69 12.674 6.444 -10.750 1.00 0.48 C ATOM 814 O ARG A 69 12.470 6.420 -9.547 1.00 0.49 O ATOM 815 CB ARG A 69 11.099 7.873 -12.048 1.00 0.80 C ATOM 816 CG ARG A 69 9.663 7.915 -12.612 1.00 0.49 C ATOM 817 CD ARG A 69 9.147 9.285 -12.279 1.00 0.65 C ATOM 818 NE ARG A 69 9.113 9.288 -10.785 1.00 2.51 N ATOM 819 CZ ARG A 69 8.033 9.225 -10.092 1.00 4.10 C ATOM 820 NH1 ARG A 69 7.357 10.266 -9.811 1.00 4.47 N ATOM 821 NH2 ARG A 69 7.683 8.083 -9.694 1.00 5.46 N ATOM 0 H ARG A 69 10.032 6.297 -10.179 1.00 0.37 H new ATOM 0 HA ARG A 69 11.722 5.989 -12.694 1.00 0.56 H new ATOM 0 HB2 ARG A 69 11.157 8.485 -11.148 1.00 0.80 H new ATOM 0 HB3 ARG A 69 11.790 8.305 -12.772 1.00 0.80 H new ATOM 0 HG2 ARG A 69 9.658 7.744 -13.688 1.00 0.49 H new ATOM 0 HG3 ARG A 69 9.041 7.141 -12.163 1.00 0.49 H new ATOM 0 HD2 ARG A 69 9.800 10.066 -12.668 1.00 0.65 H new ATOM 0 HD3 ARG A 69 8.158 9.456 -12.704 1.00 0.65 H new ATOM 0 HE ARG A 69 10.001 9.343 -10.285 1.00 2.51 H new ATOM 0 HH11 ARG A 69 7.669 11.180 -10.138 1.00 4.47 H new ATOM 0 HH12 ARG A 69 6.503 10.186 -9.259 1.00 4.47 H new ATOM 0 HH21 ARG A 69 8.249 7.267 -9.926 1.00 5.46 H new ATOM 0 HH22 ARG A 69 6.834 7.974 -9.140 1.00 5.46 H new ATOM 835 N LEU A 70 13.843 6.493 -11.281 1.00 0.43 N ATOM 836 CA LEU A 70 15.016 6.465 -10.367 1.00 0.41 C ATOM 837 C LEU A 70 15.821 7.719 -10.535 1.00 0.40 C ATOM 838 O LEU A 70 16.218 8.075 -11.623 1.00 0.47 O ATOM 839 CB LEU A 70 15.839 5.175 -10.693 1.00 0.35 C ATOM 840 CG LEU A 70 15.715 4.248 -9.452 1.00 0.26 C ATOM 841 CD1 LEU A 70 16.146 2.798 -9.703 1.00 0.14 C ATOM 842 CD2 LEU A 70 16.675 4.797 -8.436 1.00 0.26 C ATOM 0 H LEU A 70 14.047 6.550 -12.279 1.00 0.43 H new ATOM 0 HA LEU A 70 14.709 6.431 -9.322 1.00 0.41 H new ATOM 0 HB2 LEU A 70 15.452 4.683 -11.585 1.00 0.35 H new ATOM 0 HB3 LEU A 70 16.882 5.420 -10.892 1.00 0.35 H new ATOM 0 HG LEU A 70 14.667 4.231 -9.153 1.00 0.26 H new ATOM 0 HD11 LEU A 70 16.028 2.220 -8.787 1.00 0.14 H new ATOM 0 HD12 LEU A 70 15.526 2.365 -10.488 1.00 0.14 H new ATOM 0 HD13 LEU A 70 17.191 2.777 -10.013 1.00 0.14 H new ATOM 0 HD21 LEU A 70 16.637 4.187 -7.533 1.00 0.26 H new ATOM 0 HD22 LEU A 70 17.686 4.780 -8.844 1.00 0.26 H new ATOM 0 HD23 LEU A 70 16.400 5.823 -8.193 1.00 0.26 H new ATOM 854 N ALA A 71 16.034 8.353 -9.422 1.00 0.32 N ATOM 855 CA ALA A 71 16.805 9.615 -9.391 1.00 0.23 C ATOM 856 C ALA A 71 18.263 9.257 -8.998 1.00 0.21 C ATOM 857 O ALA A 71 18.603 9.220 -7.827 1.00 0.20 O ATOM 858 CB ALA A 71 16.110 10.510 -8.362 1.00 0.17 C ATOM 0 H ALA A 71 15.697 8.040 -8.512 1.00 0.32 H new ATOM 0 HA ALA A 71 16.843 10.141 -10.345 1.00 0.23 H new ATOM 0 HB1 ALA A 71 16.636 11.462 -8.294 1.00 0.17 H new ATOM 0 HB2 ALA A 71 15.079 10.686 -8.670 1.00 0.17 H new ATOM 0 HB3 ALA A 71 16.119 10.020 -7.388 1.00 0.17 H new ATOM 864 N VAL A 72 19.081 9.020 -9.986 1.00 0.21 N ATOM 865 CA VAL A 72 20.525 8.648 -9.729 1.00 0.15 C ATOM 866 C VAL A 72 21.566 9.725 -10.047 1.00 0.24 C ATOM 867 O VAL A 72 21.297 10.717 -10.696 1.00 0.41 O ATOM 868 CB VAL A 72 20.939 7.427 -10.564 1.00 0.15 C ATOM 869 CG1 VAL A 72 20.166 6.218 -10.160 1.00 0.21 C ATOM 870 CG2 VAL A 72 20.620 7.682 -12.005 1.00 0.24 C ATOM 0 H VAL A 72 18.821 9.065 -10.971 1.00 0.21 H new ATOM 0 HA VAL A 72 20.531 8.468 -8.654 1.00 0.15 H new ATOM 0 HB VAL A 72 22.005 7.263 -10.407 1.00 0.15 H new ATOM 0 HG11 VAL A 72 20.478 5.367 -10.766 1.00 0.21 H new ATOM 0 HG12 VAL A 72 20.352 6.002 -9.108 1.00 0.21 H new ATOM 0 HG13 VAL A 72 19.102 6.400 -10.310 1.00 0.21 H new ATOM 0 HG21 VAL A 72 20.912 6.817 -12.601 1.00 0.24 H new ATOM 0 HG22 VAL A 72 19.549 7.854 -12.116 1.00 0.24 H new ATOM 0 HG23 VAL A 72 21.166 8.561 -12.348 1.00 0.24 H new ATOM 880 N ASP A 73 22.747 9.460 -9.571 1.00 0.36 N ATOM 881 CA ASP A 73 23.882 10.392 -9.789 1.00 0.67 C ATOM 882 C ASP A 73 24.813 9.890 -10.898 1.00 0.85 C ATOM 883 O ASP A 73 24.619 8.867 -11.527 1.00 1.30 O ATOM 884 CB ASP A 73 24.612 10.549 -8.435 1.00 0.78 C ATOM 885 CG ASP A 73 24.714 9.210 -7.716 1.00 1.37 C ATOM 886 OD1 ASP A 73 25.609 8.458 -8.064 1.00 1.24 O ATOM 887 OD2 ASP A 73 23.872 9.014 -6.860 1.00 2.50 O ATOM 0 H ASP A 73 22.977 8.625 -9.032 1.00 0.36 H new ATOM 0 HA ASP A 73 23.523 11.364 -10.129 1.00 0.67 H new ATOM 0 HB2 ASP A 73 25.610 10.955 -8.600 1.00 0.78 H new ATOM 0 HB3 ASP A 73 24.077 11.263 -7.809 1.00 0.78 H new ATOM 892 N LYS A 74 25.847 10.649 -11.097 1.00 0.53 N ATOM 893 CA LYS A 74 26.828 10.304 -12.145 1.00 0.61 C ATOM 894 C LYS A 74 27.516 8.958 -11.926 1.00 0.59 C ATOM 895 O LYS A 74 28.278 8.509 -12.757 1.00 0.69 O ATOM 896 CB LYS A 74 27.827 11.488 -12.196 1.00 0.65 C ATOM 897 CG LYS A 74 27.067 12.848 -12.433 1.00 0.21 C ATOM 898 CD LYS A 74 26.020 12.697 -13.592 1.00 1.73 C ATOM 899 CE LYS A 74 25.419 14.034 -14.014 1.00 2.18 C ATOM 900 NZ LYS A 74 24.335 13.744 -15.012 1.00 3.53 N ATOM 0 H LYS A 74 26.053 11.499 -10.573 1.00 0.53 H new ATOM 0 HA LYS A 74 26.325 10.168 -13.103 1.00 0.61 H new ATOM 0 HB2 LYS A 74 28.388 11.537 -11.263 1.00 0.65 H new ATOM 0 HB3 LYS A 74 28.550 11.326 -12.995 1.00 0.65 H new ATOM 0 HG2 LYS A 74 26.562 13.154 -11.517 1.00 0.21 H new ATOM 0 HG3 LYS A 74 27.782 13.633 -12.681 1.00 0.21 H new ATOM 0 HD2 LYS A 74 26.500 12.230 -14.452 1.00 1.73 H new ATOM 0 HD3 LYS A 74 25.221 12.028 -13.271 1.00 1.73 H new ATOM 0 HE2 LYS A 74 25.015 14.563 -13.151 1.00 2.18 H new ATOM 0 HE3 LYS A 74 26.182 14.677 -14.452 1.00 2.18 H new ATOM 0 HZ1 LYS A 74 23.901 14.637 -15.323 1.00 3.53 H new ATOM 0 HZ2 LYS A 74 24.742 13.252 -15.833 1.00 3.53 H new ATOM 0 HZ3 LYS A 74 23.610 13.142 -14.572 1.00 3.53 H new ATOM 914 N LEU A 75 27.226 8.351 -10.816 1.00 0.52 N ATOM 915 CA LEU A 75 27.844 7.041 -10.506 1.00 0.49 C ATOM 916 C LEU A 75 26.697 6.055 -10.320 1.00 0.40 C ATOM 917 O LEU A 75 26.688 5.271 -9.398 1.00 0.46 O ATOM 918 CB LEU A 75 28.629 7.262 -9.247 1.00 0.58 C ATOM 919 CG LEU A 75 29.418 8.567 -9.241 1.00 0.57 C ATOM 920 CD1 LEU A 75 29.931 8.704 -7.823 1.00 0.72 C ATOM 921 CD2 LEU A 75 30.540 8.519 -10.271 1.00 0.32 C ATOM 0 H LEU A 75 26.585 8.708 -10.107 1.00 0.52 H new ATOM 0 HA LEU A 75 28.506 6.647 -11.277 1.00 0.49 H new ATOM 0 HB2 LEU A 75 27.946 7.256 -8.397 1.00 0.58 H new ATOM 0 HB3 LEU A 75 29.319 6.429 -9.108 1.00 0.58 H new ATOM 0 HG LEU A 75 28.814 9.430 -9.519 1.00 0.57 H new ATOM 0 HD11 LEU A 75 30.512 9.622 -7.733 1.00 0.72 H new ATOM 0 HD12 LEU A 75 29.088 8.739 -7.133 1.00 0.72 H new ATOM 0 HD13 LEU A 75 30.563 7.850 -7.581 1.00 0.72 H new ATOM 0 HD21 LEU A 75 31.092 9.459 -10.252 1.00 0.32 H new ATOM 0 HD22 LEU A 75 31.216 7.697 -10.035 1.00 0.32 H new ATOM 0 HD23 LEU A 75 30.116 8.367 -11.264 1.00 0.32 H new ATOM 933 N ASP A 76 25.760 6.144 -11.221 1.00 0.32 N ATOM 934 CA ASP A 76 24.555 5.263 -11.208 1.00 0.29 C ATOM 935 C ASP A 76 24.127 4.750 -9.807 1.00 0.32 C ATOM 936 O ASP A 76 23.758 3.607 -9.613 1.00 0.34 O ATOM 937 CB ASP A 76 24.856 4.092 -12.215 1.00 0.27 C ATOM 938 CG ASP A 76 26.349 3.882 -12.469 1.00 0.28 C ATOM 939 OD1 ASP A 76 27.025 3.529 -11.522 1.00 0.54 O ATOM 940 OD2 ASP A 76 26.739 4.094 -13.606 1.00 1.03 O ATOM 0 H ASP A 76 25.779 6.812 -11.991 1.00 0.32 H new ATOM 0 HA ASP A 76 23.686 5.846 -11.513 1.00 0.29 H new ATOM 0 HB2 ASP A 76 24.427 3.168 -11.826 1.00 0.27 H new ATOM 0 HB3 ASP A 76 24.359 4.300 -13.163 1.00 0.27 H new ATOM 945 N ASN A 77 24.193 5.649 -8.854 1.00 0.32 N ATOM 946 CA ASN A 77 23.796 5.332 -7.442 1.00 0.33 C ATOM 947 C ASN A 77 22.531 6.152 -7.261 1.00 0.39 C ATOM 948 O ASN A 77 22.254 7.015 -8.066 1.00 0.66 O ATOM 949 CB ASN A 77 24.798 5.835 -6.392 1.00 0.27 C ATOM 950 CG ASN A 77 26.161 5.254 -6.569 1.00 1.42 C ATOM 951 OD1 ASN A 77 27.026 6.077 -7.032 1.00 2.81 O flip ATOM 952 ND2 ASN A 77 26.463 4.108 -6.301 1.00 0.97 N flip ATOM 0 H ASN A 77 24.511 6.608 -8.997 1.00 0.32 H new ATOM 0 HA ASN A 77 23.712 4.254 -7.304 1.00 0.33 H new ATOM 0 HB2 ASN A 77 24.861 6.922 -6.448 1.00 0.27 H new ATOM 0 HB3 ASN A 77 24.429 5.588 -5.397 1.00 0.27 H new ATOM 0 HD21 ASN A 77 25.759 3.468 -5.933 1.00 0.97 H new ATOM 0 HD22 ASN A 77 27.420 3.786 -6.444 1.00 0.97 H new ATOM 959 N ILE A 78 21.815 5.880 -6.223 1.00 0.15 N ATOM 960 CA ILE A 78 20.560 6.621 -5.960 1.00 0.14 C ATOM 961 C ILE A 78 20.901 7.895 -5.291 1.00 0.20 C ATOM 962 O ILE A 78 21.263 7.950 -4.139 1.00 0.17 O ATOM 963 CB ILE A 78 19.647 5.711 -5.090 1.00 0.10 C ATOM 964 CG1 ILE A 78 19.408 4.354 -5.768 1.00 0.08 C ATOM 965 CG2 ILE A 78 18.285 6.403 -4.886 1.00 0.10 C ATOM 966 CD1 ILE A 78 19.363 4.590 -7.259 1.00 0.08 C ATOM 0 H ILE A 78 22.046 5.166 -5.532 1.00 0.15 H new ATOM 0 HA ILE A 78 20.021 6.867 -6.875 1.00 0.14 H new ATOM 0 HB ILE A 78 20.145 5.545 -4.134 1.00 0.10 H new ATOM 0 HG12 ILE A 78 20.204 3.654 -5.515 1.00 0.08 H new ATOM 0 HG13 ILE A 78 18.474 3.912 -5.422 1.00 0.08 H new ATOM 0 HG21 ILE A 78 17.642 5.768 -4.276 1.00 0.10 H new ATOM 0 HG22 ILE A 78 18.434 7.358 -4.383 1.00 0.10 H new ATOM 0 HG23 ILE A 78 17.814 6.573 -5.854 1.00 0.10 H new ATOM 0 HD11 ILE A 78 19.194 3.643 -7.772 1.00 0.08 H new ATOM 0 HD12 ILE A 78 18.552 5.280 -7.494 1.00 0.08 H new ATOM 0 HD13 ILE A 78 20.310 5.017 -7.588 1.00 0.08 H new ATOM 978 N ALA A 79 20.731 8.921 -6.057 1.00 0.24 N ATOM 979 CA ALA A 79 21.035 10.266 -5.544 1.00 0.28 C ATOM 980 C ALA A 79 19.872 10.643 -4.630 1.00 0.27 C ATOM 981 O ALA A 79 20.093 11.220 -3.587 1.00 0.36 O ATOM 982 CB ALA A 79 21.173 11.150 -6.782 1.00 0.26 C ATOM 0 H ALA A 79 20.394 8.885 -7.019 1.00 0.24 H new ATOM 0 HA ALA A 79 21.951 10.358 -4.960 1.00 0.28 H new ATOM 0 HB1 ALA A 79 21.401 12.171 -6.476 1.00 0.26 H new ATOM 0 HB2 ALA A 79 21.979 10.772 -7.411 1.00 0.26 H new ATOM 0 HB3 ALA A 79 20.239 11.139 -7.343 1.00 0.26 H new ATOM 988 N GLN A 80 18.672 10.313 -5.018 1.00 0.18 N ATOM 989 CA GLN A 80 17.500 10.672 -4.126 1.00 0.22 C ATOM 990 C GLN A 80 16.460 9.578 -3.916 1.00 0.20 C ATOM 991 O GLN A 80 16.636 8.462 -4.342 1.00 0.44 O ATOM 992 CB GLN A 80 16.784 11.930 -4.672 1.00 0.26 C ATOM 993 CG GLN A 80 16.729 13.056 -3.544 1.00 0.38 C ATOM 994 CD GLN A 80 18.009 13.869 -3.315 1.00 2.02 C ATOM 995 OE1 GLN A 80 19.099 13.551 -3.922 1.00 2.36 O flip ATOM 996 NE2 GLN A 80 18.035 14.823 -2.570 1.00 3.28 N flip ATOM 0 H GLN A 80 18.441 9.825 -5.884 1.00 0.18 H new ATOM 0 HA GLN A 80 17.952 10.844 -3.149 1.00 0.22 H new ATOM 0 HB2 GLN A 80 17.310 12.307 -5.549 1.00 0.26 H new ATOM 0 HB3 GLN A 80 15.774 11.674 -4.992 1.00 0.26 H new ATOM 0 HG2 GLN A 80 15.927 13.750 -3.795 1.00 0.38 H new ATOM 0 HG3 GLN A 80 16.456 12.580 -2.602 1.00 0.38 H new ATOM 0 HE21 GLN A 80 17.190 15.104 -2.072 1.00 3.28 H new ATOM 0 HE22 GLN A 80 18.901 15.345 -2.440 1.00 3.28 H new ATOM 1005 N VAL A 81 15.379 9.911 -3.264 1.00 0.23 N ATOM 1006 CA VAL A 81 14.306 8.891 -3.013 1.00 0.26 C ATOM 1007 C VAL A 81 13.667 8.590 -4.373 1.00 0.34 C ATOM 1008 O VAL A 81 13.027 9.471 -4.917 1.00 0.50 O ATOM 1009 CB VAL A 81 13.243 9.479 -2.054 1.00 0.38 C ATOM 1010 CG1 VAL A 81 12.164 8.395 -1.716 1.00 0.46 C ATOM 1011 CG2 VAL A 81 13.936 9.999 -0.773 1.00 0.41 C ATOM 0 H VAL A 81 15.188 10.842 -2.893 1.00 0.23 H new ATOM 0 HA VAL A 81 14.713 7.988 -2.558 1.00 0.26 H new ATOM 0 HB VAL A 81 12.736 10.315 -2.536 1.00 0.38 H new ATOM 0 HG11 VAL A 81 11.421 8.819 -1.041 1.00 0.46 H new ATOM 0 HG12 VAL A 81 11.676 8.069 -2.634 1.00 0.46 H new ATOM 0 HG13 VAL A 81 12.644 7.541 -1.237 1.00 0.46 H new ATOM 0 HG21 VAL A 81 13.188 10.413 -0.097 1.00 0.41 H new ATOM 0 HG22 VAL A 81 14.454 9.176 -0.280 1.00 0.41 H new ATOM 0 HG23 VAL A 81 14.655 10.774 -1.037 1.00 0.41 H new ATOM 1021 N PRO A 82 13.819 7.407 -4.926 1.00 0.27 N ATOM 1022 CA PRO A 82 13.144 7.092 -6.214 1.00 0.30 C ATOM 1023 C PRO A 82 11.700 6.732 -5.758 1.00 0.30 C ATOM 1024 O PRO A 82 11.524 6.166 -4.692 1.00 0.35 O ATOM 1025 CB PRO A 82 14.056 5.986 -6.733 1.00 0.26 C ATOM 1026 CG PRO A 82 14.328 5.150 -5.492 1.00 0.22 C ATOM 1027 CD PRO A 82 14.610 6.243 -4.415 1.00 0.17 C ATOM 0 HA PRO A 82 13.022 7.821 -7.015 1.00 0.30 H new ATOM 0 HB2 PRO A 82 13.574 5.400 -7.516 1.00 0.26 H new ATOM 0 HB3 PRO A 82 14.976 6.388 -7.157 1.00 0.26 H new ATOM 0 HG2 PRO A 82 13.474 4.526 -5.226 1.00 0.22 H new ATOM 0 HG3 PRO A 82 15.180 4.483 -5.629 1.00 0.22 H new ATOM 0 HD2 PRO A 82 14.281 5.931 -3.424 1.00 0.17 H new ATOM 0 HD3 PRO A 82 15.672 6.475 -4.340 1.00 0.17 H new ATOM 1035 N ARG A 83 10.717 7.063 -6.545 1.00 0.26 N ATOM 1036 CA ARG A 83 9.299 6.772 -6.180 1.00 0.25 C ATOM 1037 C ARG A 83 8.544 6.110 -7.329 1.00 0.28 C ATOM 1038 O ARG A 83 8.889 6.328 -8.477 1.00 0.34 O ATOM 1039 CB ARG A 83 8.594 8.099 -5.821 1.00 0.25 C ATOM 1040 CG ARG A 83 9.521 8.952 -4.940 1.00 0.63 C ATOM 1041 CD ARG A 83 8.779 9.515 -3.750 1.00 0.72 C ATOM 1042 NE ARG A 83 7.568 10.320 -4.167 1.00 1.19 N ATOM 1043 CZ ARG A 83 6.419 10.003 -3.701 1.00 2.08 C ATOM 1044 NH1 ARG A 83 6.287 10.074 -2.448 1.00 1.73 N ATOM 1045 NH2 ARG A 83 5.485 9.625 -4.482 1.00 3.58 N ATOM 0 H ARG A 83 10.836 7.532 -7.443 1.00 0.26 H new ATOM 0 HA ARG A 83 9.300 6.086 -5.333 1.00 0.25 H new ATOM 0 HB2 ARG A 83 8.336 8.643 -6.730 1.00 0.25 H new ATOM 0 HB3 ARG A 83 7.661 7.896 -5.295 1.00 0.25 H new ATOM 0 HG2 ARG A 83 10.359 8.346 -4.596 1.00 0.63 H new ATOM 0 HG3 ARG A 83 9.939 9.767 -5.530 1.00 0.63 H new ATOM 0 HD2 ARG A 83 8.465 8.699 -3.099 1.00 0.72 H new ATOM 0 HD3 ARG A 83 9.451 10.146 -3.169 1.00 0.72 H new ATOM 0 HE ARG A 83 7.666 11.105 -4.811 1.00 1.19 H new ATOM 0 HH11 ARG A 83 7.072 10.371 -1.868 1.00 1.73 H new ATOM 0 HH12 ARG A 83 5.395 9.834 -2.015 1.00 1.73 H new ATOM 0 HH21 ARG A 83 5.650 9.573 -5.487 1.00 3.58 H new ATOM 0 HH22 ARG A 83 4.572 9.374 -4.102 1.00 3.58 H new ATOM 1059 N VAL A 84 7.548 5.334 -7.006 1.00 0.40 N ATOM 1060 CA VAL A 84 6.717 4.637 -8.048 1.00 0.42 C ATOM 1061 C VAL A 84 6.310 5.647 -9.118 1.00 0.52 C ATOM 1062 O VAL A 84 6.887 5.794 -10.184 1.00 0.97 O ATOM 1063 CB VAL A 84 5.519 4.041 -7.308 1.00 0.36 C ATOM 1064 CG1 VAL A 84 4.467 3.580 -8.249 1.00 0.24 C ATOM 1065 CG2 VAL A 84 5.912 2.793 -6.647 1.00 0.40 C ATOM 0 H VAL A 84 7.263 5.145 -6.045 1.00 0.40 H new ATOM 0 HA VAL A 84 7.255 3.841 -8.563 1.00 0.42 H new ATOM 0 HB VAL A 84 5.172 4.823 -6.633 1.00 0.36 H new ATOM 0 HG11 VAL A 84 3.632 3.163 -7.686 1.00 0.24 H new ATOM 0 HG12 VAL A 84 4.117 4.423 -8.845 1.00 0.24 H new ATOM 0 HG13 VAL A 84 4.878 2.815 -8.908 1.00 0.24 H new ATOM 0 HG21 VAL A 84 5.054 2.374 -6.122 1.00 0.40 H new ATOM 0 HG22 VAL A 84 6.264 2.081 -7.394 1.00 0.40 H new ATOM 0 HG23 VAL A 84 6.711 2.995 -5.934 1.00 0.40 H new