USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 538 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+ -140:sc= 2.01 (180deg=-1.14) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.565 K(o=2.6,f=-9.1!) USER MOD Single : A 21 LYS NZ :NH3+ -114:sc= 1.95 (180deg=-2.75!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0.0938 (180deg=0.0938) USER MOD Single : A 31 SER OG : rot 180:sc= 0.119 USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= -0.545 (180deg=-0.702) USER MOD Single : A 43 LYS NZ :NH3+ 133:sc= 1.13 (180deg=-4.17!) USER MOD Single : A 47 GLN : amide:sc= 1.06 K(o=1.1,f=-0.0035) USER MOD Single : A 55 THR OG1 : rot 97:sc= 1.15 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 89:sc= 0.746 USER MOD Single : A 72 LYS NZ :NH3+ 145:sc= 1.08 (180deg=-2.22!) USER MOD Single : A 75 ASN : amide:sc= -1.55 K(o=-1.6,f=-8.5!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 21 -10.102 -32.280 6.635 1.00 0.00 N ATOM 20 CA LYS A 21 -10.519 -31.360 7.754 1.00 0.00 C ATOM 21 C LYS A 21 -9.360 -30.356 7.921 1.00 0.00 C ATOM 22 O LYS A 21 -8.927 -30.045 9.011 1.00 0.00 O ATOM 23 CB LYS A 21 -10.718 -32.203 9.069 1.00 0.00 C ATOM 24 CG LYS A 21 -11.794 -31.639 10.074 1.00 0.00 C ATOM 25 CD LYS A 21 -11.691 -30.099 10.365 1.00 0.00 C ATOM 26 CE LYS A 21 -12.838 -29.685 11.326 1.00 0.00 C ATOM 27 NZ LYS A 21 -13.056 -28.214 11.206 1.00 0.00 N ATOM 0 HA LYS A 21 -11.457 -30.845 7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.001 -33.218 8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.761 -32.270 9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.786 -31.852 9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.705 -32.178 11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.724 -29.864 10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.758 -29.535 9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.752 -30.224 11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.583 -29.947 12.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.801 -27.751 12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.463 -27.837 10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.057 -28.028 10.993 1.00 0.00 H new ATOM 41 N THR A 22 -8.870 -29.830 6.833 1.00 0.00 N ATOM 42 CA THR A 22 -7.708 -28.873 6.958 1.00 0.00 C ATOM 43 C THR A 22 -8.175 -27.423 6.913 1.00 0.00 C ATOM 44 O THR A 22 -7.489 -26.526 6.468 1.00 0.00 O ATOM 45 CB THR A 22 -6.671 -29.128 5.810 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.399 -29.368 4.621 1.00 0.00 O ATOM 47 CG2 THR A 22 -5.930 -30.453 6.011 1.00 0.00 C ATOM 0 H THR A 22 -9.203 -30.007 5.885 1.00 0.00 H new ATOM 0 HA THR A 22 -7.234 -29.051 7.924 1.00 0.00 H new ATOM 0 HB THR A 22 -5.994 -28.274 5.788 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.775 -29.530 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.219 -30.599 5.198 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.396 -30.431 6.961 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.647 -31.274 6.017 1.00 0.00 H new ATOM 55 N GLU A 23 -9.376 -27.283 7.422 1.00 0.00 N ATOM 56 CA GLU A 23 -10.080 -25.969 7.598 1.00 0.00 C ATOM 57 C GLU A 23 -10.955 -25.978 8.873 1.00 0.00 C ATOM 58 O GLU A 23 -11.502 -27.003 9.242 1.00 0.00 O ATOM 59 CB GLU A 23 -10.984 -25.673 6.378 1.00 0.00 C ATOM 60 CG GLU A 23 -12.130 -26.750 6.136 1.00 0.00 C ATOM 61 CD GLU A 23 -13.320 -26.158 5.348 1.00 0.00 C ATOM 62 OE1 GLU A 23 -13.151 -25.123 4.713 1.00 0.00 O ATOM 63 OE2 GLU A 23 -14.351 -26.811 5.454 1.00 0.00 O ATOM 0 H GLU A 23 -9.930 -28.077 7.742 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.317 -25.196 7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.444 -24.694 6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.362 -25.615 5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.720 -27.600 5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.482 -27.127 7.096 1.00 0.00 H new ATOM 70 N TRP A 24 -11.074 -24.855 9.530 1.00 0.00 N ATOM 71 CA TRP A 24 -11.951 -24.810 10.744 1.00 0.00 C ATOM 72 C TRP A 24 -12.953 -23.688 10.657 1.00 0.00 C ATOM 73 O TRP A 24 -12.949 -22.707 11.380 1.00 0.00 O ATOM 74 CB TRP A 24 -11.026 -24.703 11.938 1.00 0.00 C ATOM 75 CG TRP A 24 -10.409 -26.017 12.185 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.979 -26.832 13.069 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.307 -26.540 11.684 1.00 0.00 C ATOM 78 NE1 TRP A 24 -10.161 -27.865 13.082 1.00 0.00 N ATOM 79 CE2 TRP A 24 -9.118 -27.766 12.269 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.436 -26.037 10.749 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -8.029 -28.494 11.913 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.347 -26.776 10.398 1.00 0.00 C ATOM 83 CH2 TRP A 24 -7.147 -28.013 10.988 1.00 0.00 C ATOM 0 H TRP A 24 -10.612 -23.979 9.287 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.560 -25.710 10.835 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.256 -23.954 11.752 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.582 -24.377 12.817 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.887 -26.684 13.635 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -10.318 -28.681 13.674 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.612 -25.071 10.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.859 -29.460 12.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.646 -26.401 9.667 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.285 -28.603 10.714 1.00 0.00 H new ATOM 94 N PRO A 25 -13.823 -23.907 9.704 1.00 0.00 N ATOM 95 CA PRO A 25 -14.894 -22.947 9.416 1.00 0.00 C ATOM 96 C PRO A 25 -15.906 -22.923 10.543 1.00 0.00 C ATOM 97 O PRO A 25 -16.343 -21.868 10.960 1.00 0.00 O ATOM 98 CB PRO A 25 -15.416 -23.444 8.079 1.00 0.00 C ATOM 99 CG PRO A 25 -15.304 -24.973 8.212 1.00 0.00 C ATOM 100 CD PRO A 25 -13.895 -25.097 8.783 1.00 0.00 C ATOM 0 HA PRO A 25 -14.589 -21.902 9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.445 -23.128 7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.821 -23.066 7.247 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.060 -25.388 8.879 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.410 -25.482 7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.753 -26.036 9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.134 -25.056 8.004 1.00 0.00 H new ATOM 108 N GLU A 26 -16.246 -24.073 11.061 1.00 0.00 N ATOM 109 CA GLU A 26 -17.313 -24.135 12.090 1.00 0.00 C ATOM 110 C GLU A 26 -16.861 -23.454 13.382 1.00 0.00 C ATOM 111 O GLU A 26 -17.662 -23.259 14.274 1.00 0.00 O ATOM 112 CB GLU A 26 -17.657 -25.626 12.307 1.00 0.00 C ATOM 113 CG GLU A 26 -16.472 -26.343 13.039 1.00 0.00 C ATOM 114 CD GLU A 26 -15.178 -26.470 12.267 1.00 0.00 C ATOM 115 OE1 GLU A 26 -15.249 -26.711 11.081 1.00 0.00 O ATOM 116 OE2 GLU A 26 -14.142 -26.337 12.892 1.00 0.00 O ATOM 0 H GLU A 26 -15.828 -24.970 10.813 1.00 0.00 H new ATOM 0 HA GLU A 26 -18.203 -23.598 11.762 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.569 -25.716 12.897 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.849 -26.108 11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.266 -25.803 13.963 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.801 -27.343 13.320 1.00 0.00 H new ATOM 123 N LEU A 27 -15.592 -23.112 13.463 1.00 0.00 N ATOM 124 CA LEU A 27 -15.095 -22.402 14.665 1.00 0.00 C ATOM 125 C LEU A 27 -14.776 -20.915 14.402 1.00 0.00 C ATOM 126 O LEU A 27 -14.155 -20.248 15.212 1.00 0.00 O ATOM 127 CB LEU A 27 -13.859 -23.248 15.177 1.00 0.00 C ATOM 128 CG LEU A 27 -12.523 -23.136 14.464 1.00 0.00 C ATOM 129 CD1 LEU A 27 -11.847 -21.786 14.451 1.00 0.00 C ATOM 130 CD2 LEU A 27 -11.522 -24.119 15.134 1.00 0.00 C ATOM 0 H LEU A 27 -14.891 -23.298 12.746 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.861 -22.343 15.438 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.694 -22.984 16.221 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.152 -24.298 15.156 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.770 -23.355 13.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.905 -21.856 13.908 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.495 -21.059 13.961 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.653 -21.466 15.475 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.556 -24.052 14.634 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.405 -23.858 16.186 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.902 -25.137 15.053 1.00 0.00 H new ATOM 142 N VAL A 28 -15.233 -20.413 13.282 1.00 0.00 N ATOM 143 CA VAL A 28 -15.018 -18.954 12.979 1.00 0.00 C ATOM 144 C VAL A 28 -15.878 -18.166 13.997 1.00 0.00 C ATOM 145 O VAL A 28 -16.771 -18.746 14.581 1.00 0.00 O ATOM 146 CB VAL A 28 -15.453 -18.731 11.505 1.00 0.00 C ATOM 147 CG1 VAL A 28 -15.563 -17.237 11.126 1.00 0.00 C ATOM 148 CG2 VAL A 28 -14.370 -19.310 10.592 1.00 0.00 C ATOM 0 H VAL A 28 -15.740 -20.938 12.569 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.985 -18.620 13.074 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.428 -19.204 11.391 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.871 -17.148 10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -16.301 -16.753 11.765 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.595 -16.755 11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.656 -19.164 9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -13.424 -18.803 10.783 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.258 -20.376 10.791 1.00 0.00 H new ATOM 158 N GLY A 29 -15.628 -16.900 14.224 1.00 0.00 N ATOM 159 CA GLY A 29 -16.476 -16.167 15.248 1.00 0.00 C ATOM 160 C GLY A 29 -15.945 -16.282 16.697 1.00 0.00 C ATOM 161 O GLY A 29 -16.354 -15.543 17.570 1.00 0.00 O ATOM 0 H GLY A 29 -14.902 -16.347 13.768 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.530 -15.114 14.974 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.492 -16.559 15.211 1.00 0.00 H new ATOM 165 N LYS A 30 -15.050 -17.214 16.874 1.00 0.00 N ATOM 166 CA LYS A 30 -14.391 -17.512 18.194 1.00 0.00 C ATOM 167 C LYS A 30 -12.943 -17.025 18.224 1.00 0.00 C ATOM 168 O LYS A 30 -12.404 -16.721 17.185 1.00 0.00 O ATOM 169 CB LYS A 30 -14.391 -19.021 18.409 1.00 0.00 C ATOM 170 CG LYS A 30 -15.832 -19.533 18.704 1.00 0.00 C ATOM 171 CD LYS A 30 -16.264 -20.639 17.721 1.00 0.00 C ATOM 172 CE LYS A 30 -15.469 -21.933 17.912 1.00 0.00 C ATOM 173 NZ LYS A 30 -15.708 -22.495 19.262 1.00 0.00 N ATOM 0 H LYS A 30 -14.727 -17.818 16.118 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.948 -16.995 18.976 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.996 -19.520 17.524 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.732 -19.275 19.239 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.879 -19.915 19.724 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.532 -18.700 18.643 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.326 -20.845 17.854 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.134 -20.284 16.699 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.758 -22.660 17.153 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.405 -21.737 17.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.161 -23.372 19.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.410 -21.807 19.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.721 -22.701 19.378 1.00 0.00 H new ATOM 187 N SER A 31 -12.347 -16.978 19.382 1.00 0.00 N ATOM 188 CA SER A 31 -10.930 -16.532 19.529 1.00 0.00 C ATOM 189 C SER A 31 -9.905 -17.578 19.333 1.00 0.00 C ATOM 190 O SER A 31 -10.057 -18.772 19.496 1.00 0.00 O ATOM 191 CB SER A 31 -10.841 -15.868 20.917 1.00 0.00 C ATOM 192 OG SER A 31 -11.740 -16.638 21.724 1.00 0.00 O ATOM 0 H SER A 31 -12.796 -17.238 20.260 1.00 0.00 H new ATOM 0 HA SER A 31 -10.692 -15.838 18.723 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.825 -15.898 21.310 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.137 -14.820 20.878 1.00 0.00 H new ATOM 0 HG SER A 31 -11.746 -16.282 22.637 1.00 0.00 H new ATOM 198 N VAL A 32 -8.814 -16.998 18.950 1.00 0.00 N ATOM 199 CA VAL A 32 -7.693 -17.805 18.519 1.00 0.00 C ATOM 200 C VAL A 32 -7.333 -18.942 19.478 1.00 0.00 C ATOM 201 O VAL A 32 -7.356 -20.069 19.055 1.00 0.00 O ATOM 202 CB VAL A 32 -6.564 -16.771 18.266 1.00 0.00 C ATOM 203 CG1 VAL A 32 -5.668 -16.522 19.512 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.635 -17.203 17.083 1.00 0.00 C ATOM 0 H VAL A 32 -8.665 -15.989 18.922 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.916 -18.375 17.617 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.087 -15.847 18.020 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.899 -15.789 19.267 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.280 -16.145 20.331 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.195 -17.457 19.813 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.858 -16.453 16.938 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.174 -18.163 17.314 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.225 -17.294 16.171 1.00 0.00 H new ATOM 214 N GLU A 33 -7.023 -18.710 20.728 1.00 0.00 N ATOM 215 CA GLU A 33 -6.655 -19.866 21.629 1.00 0.00 C ATOM 216 C GLU A 33 -7.694 -20.993 21.645 1.00 0.00 C ATOM 217 O GLU A 33 -7.380 -22.167 21.696 1.00 0.00 O ATOM 218 CB GLU A 33 -6.416 -19.307 23.059 1.00 0.00 C ATOM 219 CG GLU A 33 -5.042 -18.527 23.120 1.00 0.00 C ATOM 220 CD GLU A 33 -3.882 -19.376 22.598 1.00 0.00 C ATOM 221 OE1 GLU A 33 -3.731 -20.474 23.105 1.00 0.00 O ATOM 222 OE2 GLU A 33 -3.220 -18.874 21.706 1.00 0.00 O ATOM 0 H GLU A 33 -7.006 -17.789 21.167 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.749 -20.326 21.234 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.233 -18.641 23.338 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.411 -20.124 23.780 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.117 -17.613 22.531 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.839 -18.228 24.148 1.00 0.00 H new ATOM 229 N GLU A 34 -8.917 -20.580 21.572 1.00 0.00 N ATOM 230 CA GLU A 34 -10.041 -21.559 21.567 1.00 0.00 C ATOM 231 C GLU A 34 -9.957 -22.278 20.198 1.00 0.00 C ATOM 232 O GLU A 34 -9.943 -23.496 20.139 1.00 0.00 O ATOM 233 CB GLU A 34 -11.297 -20.727 21.795 1.00 0.00 C ATOM 234 CG GLU A 34 -12.467 -21.630 22.280 1.00 0.00 C ATOM 235 CD GLU A 34 -13.418 -21.934 21.143 1.00 0.00 C ATOM 236 OE1 GLU A 34 -13.062 -22.742 20.306 1.00 0.00 O ATOM 237 OE2 GLU A 34 -14.492 -21.352 21.131 1.00 0.00 O ATOM 0 H GLU A 34 -9.196 -19.601 21.515 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.024 -22.334 22.334 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.098 -19.951 22.535 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.578 -20.222 20.871 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.070 -22.560 22.687 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.005 -21.133 23.087 1.00 0.00 H new ATOM 244 N ALA A 35 -9.877 -21.520 19.125 1.00 0.00 N ATOM 245 CA ALA A 35 -9.694 -22.122 17.764 1.00 0.00 C ATOM 246 C ALA A 35 -8.595 -23.159 17.869 1.00 0.00 C ATOM 247 O ALA A 35 -8.720 -24.298 17.498 1.00 0.00 O ATOM 248 CB ALA A 35 -9.243 -21.065 16.754 1.00 0.00 C ATOM 0 H ALA A 35 -9.931 -20.502 19.136 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.639 -22.551 17.431 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.117 -21.527 15.775 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.995 -20.279 16.690 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.295 -20.635 17.076 1.00 0.00 H new ATOM 254 N LYS A 36 -7.500 -22.723 18.416 1.00 0.00 N ATOM 255 CA LYS A 36 -6.311 -23.571 18.559 1.00 0.00 C ATOM 256 C LYS A 36 -6.743 -24.805 19.300 1.00 0.00 C ATOM 257 O LYS A 36 -6.561 -25.907 18.836 1.00 0.00 O ATOM 258 CB LYS A 36 -5.260 -22.713 19.295 1.00 0.00 C ATOM 259 CG LYS A 36 -4.829 -21.568 18.329 1.00 0.00 C ATOM 260 CD LYS A 36 -3.978 -20.461 19.033 1.00 0.00 C ATOM 261 CE LYS A 36 -2.798 -20.986 19.865 1.00 0.00 C ATOM 262 NZ LYS A 36 -2.145 -22.068 19.076 1.00 0.00 N ATOM 0 H LYS A 36 -7.386 -21.777 18.780 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.864 -23.906 17.623 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.677 -22.302 20.215 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.400 -23.320 19.578 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.254 -21.992 17.506 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.719 -21.113 17.894 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.594 -19.780 18.274 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.631 -19.879 19.683 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.090 -20.184 20.077 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.145 -21.367 20.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.370 -22.483 19.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.844 -22.805 18.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.764 -21.672 18.193 1.00 0.00 H new ATOM 276 N LYS A 37 -7.333 -24.571 20.422 1.00 0.00 N ATOM 277 CA LYS A 37 -7.784 -25.689 21.280 1.00 0.00 C ATOM 278 C LYS A 37 -8.587 -26.742 20.495 1.00 0.00 C ATOM 279 O LYS A 37 -8.453 -27.941 20.680 1.00 0.00 O ATOM 280 CB LYS A 37 -8.619 -25.092 22.429 1.00 0.00 C ATOM 281 CG LYS A 37 -9.163 -26.220 23.336 1.00 0.00 C ATOM 282 CD LYS A 37 -10.579 -26.684 22.839 1.00 0.00 C ATOM 283 CE LYS A 37 -10.901 -28.055 23.424 1.00 0.00 C ATOM 284 NZ LYS A 37 -9.969 -29.059 22.811 1.00 0.00 N ATOM 0 H LYS A 37 -7.527 -23.640 20.791 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.915 -26.215 21.674 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.007 -24.407 23.016 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.447 -24.511 22.023 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.474 -27.064 23.331 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.229 -25.868 24.366 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.337 -25.961 23.141 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.597 -26.728 21.750 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.786 -28.042 24.508 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.937 -28.323 23.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.488 -29.937 22.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.580 -28.676 21.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.192 -29.260 23.472 1.00 0.00 H new ATOM 298 N VAL A 38 -9.424 -26.209 19.656 1.00 0.00 N ATOM 299 CA VAL A 38 -10.293 -27.017 18.732 1.00 0.00 C ATOM 300 C VAL A 38 -9.460 -27.739 17.672 1.00 0.00 C ATOM 301 O VAL A 38 -9.532 -28.932 17.498 1.00 0.00 O ATOM 302 CB VAL A 38 -11.277 -26.099 17.987 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.116 -26.933 16.996 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.246 -25.369 18.902 1.00 0.00 C ATOM 0 H VAL A 38 -9.553 -25.202 19.562 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.822 -27.743 19.349 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.662 -25.353 17.483 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.812 -26.280 16.470 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.455 -27.415 16.276 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.674 -27.694 17.542 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.908 -24.742 18.305 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.839 -26.095 19.458 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.688 -24.746 19.600 1.00 0.00 H new ATOM 314 N ILE A 39 -8.667 -26.976 16.996 1.00 0.00 N ATOM 315 CA ILE A 39 -7.837 -27.474 15.876 1.00 0.00 C ATOM 316 C ILE A 39 -6.913 -28.539 16.415 1.00 0.00 C ATOM 317 O ILE A 39 -6.832 -29.623 15.884 1.00 0.00 O ATOM 318 CB ILE A 39 -7.157 -26.249 15.351 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.263 -25.341 14.798 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.352 -26.619 14.174 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.687 -24.091 14.149 1.00 0.00 C ATOM 0 H ILE A 39 -8.554 -25.979 17.182 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.378 -27.955 15.061 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.551 -25.788 16.131 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.855 -25.891 14.067 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.938 -25.055 15.605 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.851 -25.733 13.783 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.606 -27.360 14.462 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.002 -27.038 13.406 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.499 -23.471 13.769 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.116 -23.528 14.887 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.033 -24.377 13.326 1.00 0.00 H new ATOM 333 N LEU A 40 -6.208 -28.229 17.455 1.00 0.00 N ATOM 334 CA LEU A 40 -5.406 -29.255 18.136 1.00 0.00 C ATOM 335 C LEU A 40 -6.298 -30.466 18.477 1.00 0.00 C ATOM 336 O LEU A 40 -5.800 -31.569 18.565 1.00 0.00 O ATOM 337 CB LEU A 40 -4.831 -28.566 19.366 1.00 0.00 C ATOM 338 CG LEU A 40 -3.602 -27.747 18.947 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.857 -26.261 18.843 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.454 -28.011 19.906 1.00 0.00 C ATOM 0 H LEU A 40 -6.155 -27.296 17.864 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.597 -29.651 17.523 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.580 -27.917 19.819 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.553 -29.305 20.117 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.345 -28.079 17.941 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.940 -25.755 18.542 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.634 -26.076 18.101 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.182 -25.879 19.811 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.585 -27.427 19.603 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.750 -27.725 20.915 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.202 -29.071 19.889 1.00 0.00 H new ATOM 352 N GLN A 41 -7.577 -30.243 18.664 1.00 0.00 N ATOM 353 CA GLN A 41 -8.480 -31.406 18.974 1.00 0.00 C ATOM 354 C GLN A 41 -8.616 -32.318 17.734 1.00 0.00 C ATOM 355 O GLN A 41 -8.911 -33.490 17.851 1.00 0.00 O ATOM 356 CB GLN A 41 -9.889 -30.900 19.386 1.00 0.00 C ATOM 357 CG GLN A 41 -10.696 -32.054 20.014 1.00 0.00 C ATOM 358 CD GLN A 41 -10.082 -32.379 21.352 1.00 0.00 C ATOM 359 OE1 GLN A 41 -10.262 -31.663 22.317 1.00 0.00 O ATOM 360 NE2 GLN A 41 -9.344 -33.434 21.461 1.00 0.00 N ATOM 0 H GLN A 41 -8.030 -29.330 18.618 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.042 -31.970 19.798 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.797 -30.079 20.097 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.414 -30.509 18.515 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.741 -31.767 20.134 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.678 -32.929 19.364 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.192 -34.036 20.652 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.913 -33.665 22.356 1.00 0.00 H new ATOM 369 N ASP A 42 -8.383 -31.727 16.598 1.00 0.00 N ATOM 370 CA ASP A 42 -8.486 -32.414 15.271 1.00 0.00 C ATOM 371 C ASP A 42 -7.112 -32.950 14.776 1.00 0.00 C ATOM 372 O ASP A 42 -6.939 -34.114 14.458 1.00 0.00 O ATOM 373 CB ASP A 42 -9.108 -31.344 14.343 1.00 0.00 C ATOM 374 CG ASP A 42 -9.433 -31.936 12.984 1.00 0.00 C ATOM 375 OD1 ASP A 42 -10.235 -32.848 13.012 1.00 0.00 O ATOM 376 OD2 ASP A 42 -8.881 -31.453 12.011 1.00 0.00 O ATOM 0 H ASP A 42 -8.111 -30.746 16.528 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.100 -33.314 15.307 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.015 -30.944 14.797 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.416 -30.510 14.226 1.00 0.00 H new ATOM 381 N LYS A 43 -6.160 -32.065 14.746 1.00 0.00 N ATOM 382 CA LYS A 43 -4.780 -32.415 14.281 1.00 0.00 C ATOM 383 C LYS A 43 -3.851 -32.209 15.494 1.00 0.00 C ATOM 384 O LYS A 43 -3.154 -31.222 15.535 1.00 0.00 O ATOM 385 CB LYS A 43 -4.440 -31.469 13.072 1.00 0.00 C ATOM 386 CG LYS A 43 -3.037 -31.799 12.445 1.00 0.00 C ATOM 387 CD LYS A 43 -2.812 -30.949 11.143 1.00 0.00 C ATOM 388 CE LYS A 43 -2.224 -29.548 11.429 1.00 0.00 C ATOM 389 NZ LYS A 43 -0.733 -29.602 11.411 1.00 0.00 N ATOM 0 H LYS A 43 -6.276 -31.092 15.029 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.671 -33.442 13.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.211 -31.566 12.308 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.453 -30.432 13.408 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.249 -31.587 13.167 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.976 -32.862 12.210 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.141 -31.489 10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.762 -30.838 10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.579 -28.837 10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.571 -29.191 12.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.364 -28.815 10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.371 -29.523 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.423 -30.505 10.998 1.00 0.00 H new ATOM 403 N PRO A 44 -3.836 -33.110 16.454 1.00 0.00 N ATOM 404 CA PRO A 44 -2.990 -32.989 17.686 1.00 0.00 C ATOM 405 C PRO A 44 -1.715 -32.107 17.595 1.00 0.00 C ATOM 406 O PRO A 44 -1.461 -31.300 18.468 1.00 0.00 O ATOM 407 CB PRO A 44 -2.750 -34.467 18.019 1.00 0.00 C ATOM 408 CG PRO A 44 -4.161 -35.057 17.760 1.00 0.00 C ATOM 409 CD PRO A 44 -4.625 -34.379 16.448 1.00 0.00 C ATOM 0 HA PRO A 44 -3.482 -32.422 18.476 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.990 -34.917 17.379 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.425 -34.611 19.049 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.126 -36.141 17.656 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.841 -34.838 18.583 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.405 -34.991 15.573 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.699 -34.191 16.444 1.00 0.00 H new ATOM 417 N GLU A 45 -0.986 -32.303 16.532 1.00 0.00 N ATOM 418 CA GLU A 45 0.291 -31.590 16.242 1.00 0.00 C ATOM 419 C GLU A 45 0.169 -30.124 15.715 1.00 0.00 C ATOM 420 O GLU A 45 1.167 -29.486 15.443 1.00 0.00 O ATOM 421 CB GLU A 45 1.012 -32.562 15.255 1.00 0.00 C ATOM 422 CG GLU A 45 0.156 -32.831 13.944 1.00 0.00 C ATOM 423 CD GLU A 45 0.445 -31.828 12.834 1.00 0.00 C ATOM 424 OE1 GLU A 45 0.749 -30.696 13.124 1.00 0.00 O ATOM 425 OE2 GLU A 45 0.339 -32.202 11.683 1.00 0.00 O ATOM 0 H GLU A 45 -1.243 -32.973 15.807 1.00 0.00 H new ATOM 0 HA GLU A 45 0.850 -31.398 17.158 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.979 -32.142 14.976 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.209 -33.508 15.759 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.363 -33.838 13.581 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.904 -32.794 14.194 1.00 0.00 H new ATOM 432 N ALA A 46 -1.022 -29.604 15.572 1.00 0.00 N ATOM 433 CA ALA A 46 -1.215 -28.206 15.086 1.00 0.00 C ATOM 434 C ALA A 46 -0.509 -27.108 15.945 1.00 0.00 C ATOM 435 O ALA A 46 -1.067 -26.530 16.858 1.00 0.00 O ATOM 436 CB ALA A 46 -2.739 -27.998 15.016 1.00 0.00 C ATOM 0 H ALA A 46 -1.888 -30.102 15.777 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.736 -28.090 14.114 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.953 -26.988 14.665 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.174 -28.721 14.326 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.171 -28.137 16.007 1.00 0.00 H new ATOM 442 N GLN A 47 0.718 -26.857 15.591 1.00 0.00 N ATOM 443 CA GLN A 47 1.613 -25.838 16.237 1.00 0.00 C ATOM 444 C GLN A 47 1.150 -24.462 15.673 1.00 0.00 C ATOM 445 O GLN A 47 1.893 -23.718 15.052 1.00 0.00 O ATOM 446 CB GLN A 47 3.064 -26.219 15.822 1.00 0.00 C ATOM 447 CG GLN A 47 3.423 -27.652 16.362 1.00 0.00 C ATOM 448 CD GLN A 47 4.318 -28.391 15.358 1.00 0.00 C ATOM 449 OE1 GLN A 47 5.497 -28.145 15.228 1.00 0.00 O ATOM 450 NE2 GLN A 47 3.817 -29.313 14.604 1.00 0.00 N ATOM 0 H GLN A 47 1.173 -27.352 14.824 1.00 0.00 H new ATOM 0 HA GLN A 47 1.573 -25.797 17.325 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.157 -26.197 14.736 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.768 -25.486 16.217 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.933 -27.569 17.322 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.510 -28.222 16.534 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.828 -29.553 14.680 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.410 -29.801 13.933 1.00 0.00 H new ATOM 459 N ILE A 48 -0.102 -24.185 15.962 1.00 0.00 N ATOM 460 CA ILE A 48 -0.830 -22.962 15.443 1.00 0.00 C ATOM 461 C ILE A 48 -0.461 -21.606 16.046 1.00 0.00 C ATOM 462 O ILE A 48 -0.257 -21.481 17.238 1.00 0.00 O ATOM 463 CB ILE A 48 -2.310 -23.140 15.664 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.810 -24.406 15.005 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.139 -21.899 15.184 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.178 -24.723 15.492 1.00 0.00 C ATOM 0 H ILE A 48 -0.678 -24.777 16.561 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.522 -22.916 14.398 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.459 -23.228 16.740 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.819 -24.283 13.922 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.135 -25.233 15.226 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.199 -22.077 15.365 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.821 -21.014 15.735 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.975 -21.742 14.118 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.532 -25.636 15.013 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.156 -24.865 16.573 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.851 -23.901 15.248 1.00 0.00 H new ATOM 478 N ILE A 49 -0.420 -20.618 15.189 1.00 0.00 N ATOM 479 CA ILE A 49 -0.076 -19.241 15.655 1.00 0.00 C ATOM 480 C ILE A 49 -1.238 -18.246 15.474 1.00 0.00 C ATOM 481 O ILE A 49 -2.289 -18.554 14.940 1.00 0.00 O ATOM 482 CB ILE A 49 1.195 -18.841 14.882 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.385 -19.762 15.234 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.658 -17.349 15.005 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.766 -19.647 16.719 1.00 0.00 C ATOM 0 H ILE A 49 -0.609 -20.705 14.190 1.00 0.00 H new ATOM 0 HA ILE A 49 0.108 -19.222 16.729 1.00 0.00 H new ATOM 0 HB ILE A 49 0.886 -18.965 13.844 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.128 -20.796 15.002 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.244 -19.501 14.616 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.562 -17.199 14.415 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.870 -16.692 14.636 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.864 -17.117 16.050 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.606 -20.308 16.931 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.048 -18.618 16.944 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.914 -19.933 17.336 1.00 0.00 H new ATOM 497 N VAL A 50 -0.922 -17.087 15.976 1.00 0.00 N ATOM 498 CA VAL A 50 -1.785 -15.871 16.007 1.00 0.00 C ATOM 499 C VAL A 50 -1.312 -14.916 14.905 1.00 0.00 C ATOM 500 O VAL A 50 -0.200 -14.425 14.931 1.00 0.00 O ATOM 501 CB VAL A 50 -1.646 -15.102 17.338 1.00 0.00 C ATOM 502 CG1 VAL A 50 -2.738 -14.001 17.405 1.00 0.00 C ATOM 503 CG2 VAL A 50 -1.720 -16.022 18.562 1.00 0.00 C ATOM 0 H VAL A 50 -0.012 -16.923 16.406 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.818 -16.194 15.877 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.657 -14.645 17.362 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.646 -13.454 18.343 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.612 -13.313 16.569 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.724 -14.463 17.350 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.617 -15.428 19.470 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.681 -16.537 18.573 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.915 -16.756 18.515 1.00 0.00 H new ATOM 513 N LEU A 51 -2.178 -14.694 13.966 1.00 0.00 N ATOM 514 CA LEU A 51 -1.915 -13.755 12.848 1.00 0.00 C ATOM 515 C LEU A 51 -3.071 -12.734 12.876 1.00 0.00 C ATOM 516 O LEU A 51 -4.118 -12.971 12.301 1.00 0.00 O ATOM 517 CB LEU A 51 -1.888 -14.581 11.558 1.00 0.00 C ATOM 518 CG LEU A 51 -0.502 -15.190 11.285 1.00 0.00 C ATOM 519 CD1 LEU A 51 -0.657 -16.342 10.283 1.00 0.00 C ATOM 520 CD2 LEU A 51 0.387 -14.080 10.623 1.00 0.00 C ATOM 0 H LEU A 51 -3.093 -15.142 13.926 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.967 -13.223 12.921 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.627 -15.380 11.625 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.177 -13.949 10.718 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.054 -15.554 12.210 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.319 -16.782 10.081 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.318 -17.101 10.701 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.083 -15.962 9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.379 -14.483 10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.073 -13.754 9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.474 -13.231 11.301 1.00 0.00 H new ATOM 532 N PRO A 52 -2.911 -11.626 13.562 1.00 0.00 N ATOM 533 CA PRO A 52 -3.985 -10.592 13.579 1.00 0.00 C ATOM 534 C PRO A 52 -4.353 -10.210 12.118 1.00 0.00 C ATOM 535 O PRO A 52 -3.498 -9.893 11.313 1.00 0.00 O ATOM 536 CB PRO A 52 -3.361 -9.471 14.433 1.00 0.00 C ATOM 537 CG PRO A 52 -2.402 -10.265 15.375 1.00 0.00 C ATOM 538 CD PRO A 52 -1.735 -11.246 14.398 1.00 0.00 C ATOM 0 HA PRO A 52 -4.941 -10.893 14.007 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.823 -8.746 13.822 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.116 -8.918 14.993 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.675 -9.614 15.860 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.944 -10.783 16.167 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.943 -10.777 13.814 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.292 -12.102 14.906 1.00 0.00 H new ATOM 546 N VAL A 53 -5.616 -10.265 11.806 1.00 0.00 N ATOM 547 CA VAL A 53 -6.117 -9.917 10.442 1.00 0.00 C ATOM 548 C VAL A 53 -5.462 -8.698 9.928 1.00 0.00 C ATOM 549 O VAL A 53 -5.411 -7.650 10.544 1.00 0.00 O ATOM 550 CB VAL A 53 -7.625 -9.757 10.480 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.154 -8.762 9.442 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.182 -11.114 10.029 1.00 0.00 C ATOM 0 H VAL A 53 -6.347 -10.546 12.459 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.867 -10.728 9.757 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.911 -9.417 11.475 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.239 -8.694 9.523 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.715 -7.781 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.885 -9.102 8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.271 -11.079 10.030 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.827 -11.337 9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.844 -11.892 10.713 1.00 0.00 H new ATOM 562 N GLY A 54 -4.973 -8.931 8.752 1.00 0.00 N ATOM 563 CA GLY A 54 -4.165 -7.809 8.128 1.00 0.00 C ATOM 564 C GLY A 54 -2.650 -8.085 8.144 1.00 0.00 C ATOM 565 O GLY A 54 -1.926 -7.476 7.389 1.00 0.00 O ATOM 0 H GLY A 54 -5.076 -9.787 8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.492 -7.661 7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.366 -6.881 8.663 1.00 0.00 H new ATOM 569 N THR A 55 -2.198 -8.960 9.011 1.00 0.00 N ATOM 570 CA THR A 55 -0.793 -9.465 9.095 1.00 0.00 C ATOM 571 C THR A 55 -0.636 -10.304 7.797 1.00 0.00 C ATOM 572 O THR A 55 -0.405 -11.494 7.814 1.00 0.00 O ATOM 573 CB THR A 55 -0.821 -10.203 10.434 1.00 0.00 C ATOM 574 OG1 THR A 55 -0.954 -9.261 11.484 1.00 0.00 O ATOM 575 CG2 THR A 55 0.358 -10.874 10.726 1.00 0.00 C ATOM 0 H THR A 55 -2.803 -9.375 9.720 1.00 0.00 H new ATOM 0 HA THR A 55 0.058 -8.784 9.111 1.00 0.00 H new ATOM 0 HB THR A 55 -1.646 -10.911 10.353 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.896 -9.193 11.745 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.263 -11.373 11.690 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.556 -11.615 9.952 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.182 -10.161 10.766 1.00 0.00 H new ATOM 583 N ILE A 56 -0.749 -9.625 6.680 1.00 0.00 N ATOM 584 CA ILE A 56 -0.792 -10.289 5.344 1.00 0.00 C ATOM 585 C ILE A 56 0.312 -11.284 5.051 1.00 0.00 C ATOM 586 O ILE A 56 1.484 -10.987 4.912 1.00 0.00 O ATOM 587 CB ILE A 56 -0.774 -9.221 4.188 1.00 0.00 C ATOM 588 CG1 ILE A 56 -1.989 -8.255 4.244 1.00 0.00 C ATOM 589 CG2 ILE A 56 -0.773 -9.937 2.792 1.00 0.00 C ATOM 590 CD1 ILE A 56 -3.351 -8.937 3.949 1.00 0.00 C ATOM 0 H ILE A 56 -0.815 -8.608 6.642 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.723 -10.854 5.384 1.00 0.00 H new ATOM 0 HB ILE A 56 0.134 -8.634 4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.030 -7.796 5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.834 -7.450 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.761 -9.189 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.111 -10.569 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.669 -10.551 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.149 -8.197 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.331 -9.371 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.531 -9.723 4.683 1.00 0.00 H new ATOM 602 N VAL A 57 -0.178 -12.481 4.966 1.00 0.00 N ATOM 603 CA VAL A 57 0.692 -13.620 4.597 1.00 0.00 C ATOM 604 C VAL A 57 0.342 -13.908 3.127 1.00 0.00 C ATOM 605 O VAL A 57 -0.607 -13.439 2.524 1.00 0.00 O ATOM 606 CB VAL A 57 0.409 -14.874 5.501 1.00 0.00 C ATOM 607 CG1 VAL A 57 0.801 -14.580 6.950 1.00 0.00 C ATOM 608 CG2 VAL A 57 -1.032 -15.319 5.314 1.00 0.00 C ATOM 0 H VAL A 57 -1.154 -12.721 5.138 1.00 0.00 H new ATOM 0 HA VAL A 57 1.749 -13.391 4.736 1.00 0.00 H new ATOM 0 HB VAL A 57 1.029 -15.718 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.600 -15.456 7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.863 -14.338 6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.220 -13.735 7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.228 -16.189 5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.703 -14.508 5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.200 -15.580 4.269 1.00 0.00 H new ATOM 618 N THR A 58 1.214 -14.703 2.644 1.00 0.00 N ATOM 619 CA THR A 58 1.331 -15.151 1.252 1.00 0.00 C ATOM 620 C THR A 58 0.673 -16.504 1.033 1.00 0.00 C ATOM 621 O THR A 58 0.013 -17.032 1.911 1.00 0.00 O ATOM 622 CB THR A 58 2.829 -15.137 0.976 1.00 0.00 C ATOM 623 OG1 THR A 58 3.522 -14.686 2.140 1.00 0.00 O ATOM 624 CG2 THR A 58 3.235 -14.103 -0.073 1.00 0.00 C ATOM 0 H THR A 58 1.940 -15.110 3.234 1.00 0.00 H new ATOM 0 HA THR A 58 0.802 -14.505 0.551 1.00 0.00 H new ATOM 0 HB THR A 58 3.069 -16.151 0.656 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.486 -14.678 1.964 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.314 -14.143 -0.225 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.728 -14.320 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.953 -13.107 0.269 1.00 0.00 H new ATOM 632 N MET A 59 0.869 -17.067 -0.134 1.00 0.00 N ATOM 633 CA MET A 59 0.312 -18.437 -0.347 1.00 0.00 C ATOM 634 C MET A 59 1.373 -19.503 0.012 1.00 0.00 C ATOM 635 O MET A 59 1.358 -20.631 -0.442 1.00 0.00 O ATOM 636 CB MET A 59 -0.156 -18.499 -1.840 1.00 0.00 C ATOM 637 CG MET A 59 -1.001 -19.778 -2.121 1.00 0.00 C ATOM 638 SD MET A 59 -2.577 -19.954 -1.245 1.00 0.00 S ATOM 639 CE MET A 59 -3.651 -19.107 -2.432 1.00 0.00 C ATOM 0 H MET A 59 1.371 -16.656 -0.921 1.00 0.00 H new ATOM 0 HA MET A 59 -0.539 -18.647 0.301 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.746 -17.613 -2.075 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.714 -18.485 -2.496 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.206 -19.817 -3.191 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.386 -20.646 -1.883 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.677 -19.113 -2.063 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.315 -18.077 -2.556 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.608 -19.621 -3.392 1.00 0.00 H new ATOM 649 N GLU A 60 2.287 -19.085 0.848 1.00 0.00 N ATOM 650 CA GLU A 60 3.353 -19.964 1.380 1.00 0.00 C ATOM 651 C GLU A 60 2.756 -20.684 2.594 1.00 0.00 C ATOM 652 O GLU A 60 1.705 -20.253 3.043 1.00 0.00 O ATOM 653 CB GLU A 60 4.541 -19.078 1.762 1.00 0.00 C ATOM 654 CG GLU A 60 4.321 -17.892 2.799 1.00 0.00 C ATOM 655 CD GLU A 60 3.363 -18.096 3.963 1.00 0.00 C ATOM 656 OE1 GLU A 60 3.698 -18.771 4.922 1.00 0.00 O ATOM 657 OE2 GLU A 60 2.285 -17.549 3.872 1.00 0.00 O ATOM 0 H GLU A 60 2.333 -18.127 1.194 1.00 0.00 H new ATOM 0 HA GLU A 60 3.704 -20.704 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.318 -19.727 2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.934 -18.642 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.295 -17.635 3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.976 -17.024 2.237 1.00 0.00 H new ATOM 664 N TYR A 61 3.341 -21.733 3.143 1.00 0.00 N ATOM 665 CA TYR A 61 2.640 -22.271 4.325 1.00 0.00 C ATOM 666 C TYR A 61 3.454 -22.880 5.505 1.00 0.00 C ATOM 667 O TYR A 61 4.567 -23.354 5.363 1.00 0.00 O ATOM 668 CB TYR A 61 1.600 -23.261 3.710 1.00 0.00 C ATOM 669 CG TYR A 61 0.609 -23.195 4.808 1.00 0.00 C ATOM 670 CD1 TYR A 61 -0.271 -22.155 4.908 1.00 0.00 C ATOM 671 CD2 TYR A 61 0.657 -24.142 5.746 1.00 0.00 C ATOM 672 CE1 TYR A 61 -1.110 -22.078 5.986 1.00 0.00 C ATOM 673 CE2 TYR A 61 -0.157 -24.067 6.806 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.053 -23.040 6.955 1.00 0.00 C ATOM 675 OH TYR A 61 -1.855 -23.002 8.069 1.00 0.00 O ATOM 0 H TYR A 61 4.200 -22.196 2.845 1.00 0.00 H new ATOM 0 HA TYR A 61 2.219 -21.433 4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.202 -22.925 2.753 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.001 -24.262 3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.304 -21.397 4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.349 -24.965 5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.813 -21.262 6.071 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.107 -24.835 7.563 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.698 -23.464 7.881 1.00 0.00 H new ATOM 685 N ARG A 62 2.814 -22.816 6.645 1.00 0.00 N ATOM 686 CA ARG A 62 3.374 -23.355 7.916 1.00 0.00 C ATOM 687 C ARG A 62 2.424 -24.480 8.331 1.00 0.00 C ATOM 688 O ARG A 62 1.784 -24.448 9.341 1.00 0.00 O ATOM 689 CB ARG A 62 3.400 -22.285 9.012 1.00 0.00 C ATOM 690 CG ARG A 62 3.686 -20.927 8.450 1.00 0.00 C ATOM 691 CD ARG A 62 5.106 -20.846 7.962 1.00 0.00 C ATOM 692 NE ARG A 62 5.021 -20.416 6.553 1.00 0.00 N ATOM 693 CZ ARG A 62 5.936 -20.643 5.697 1.00 0.00 C ATOM 694 NH1 ARG A 62 6.458 -21.793 5.612 1.00 0.00 N ATOM 695 NH2 ARG A 62 6.269 -19.669 4.958 1.00 0.00 N ATOM 0 H ARG A 62 1.890 -22.395 6.747 1.00 0.00 H new ATOM 0 HA ARG A 62 4.400 -23.695 7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.441 -22.270 9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.158 -22.540 9.752 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.001 -20.715 7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.514 -20.168 9.213 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.683 -20.136 8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.605 -21.811 8.047 1.00 0.00 H new ATOM 0 HE ARG A 62 4.188 -19.912 6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.146 -22.542 6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.191 -21.971 4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.810 -18.765 5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.996 -19.789 4.253 1.00 0.00 H new ATOM 709 N ILE A 63 2.332 -25.468 7.516 1.00 0.00 N ATOM 710 CA ILE A 63 1.444 -26.694 7.751 1.00 0.00 C ATOM 711 C ILE A 63 1.457 -27.312 9.127 1.00 0.00 C ATOM 712 O ILE A 63 0.506 -27.915 9.596 1.00 0.00 O ATOM 713 CB ILE A 63 1.880 -27.578 6.667 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.904 -28.711 6.479 1.00 0.00 C ATOM 715 CG2 ILE A 63 3.289 -28.084 6.933 1.00 0.00 C ATOM 716 CD1 ILE A 63 -0.235 -28.132 5.667 1.00 0.00 C ATOM 0 H ILE A 63 2.852 -25.509 6.639 1.00 0.00 H new ATOM 0 HA ILE A 63 0.384 -26.440 7.728 1.00 0.00 H new ATOM 0 HB ILE A 63 1.902 -27.011 5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.370 -29.549 5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.550 -29.088 7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.600 -28.740 6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.973 -27.238 6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.306 -28.638 7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.985 -28.903 5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.687 -27.304 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.146 -27.772 4.711 1.00 0.00 H new ATOM 728 N ASP A 64 2.576 -27.117 9.737 1.00 0.00 N ATOM 729 CA ASP A 64 2.813 -27.524 11.143 1.00 0.00 C ATOM 730 C ASP A 64 1.707 -26.881 12.030 1.00 0.00 C ATOM 731 O ASP A 64 1.330 -27.332 13.091 1.00 0.00 O ATOM 732 CB ASP A 64 4.232 -26.996 11.476 1.00 0.00 C ATOM 733 CG ASP A 64 4.434 -25.533 10.991 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.740 -25.393 9.816 1.00 0.00 O ATOM 735 OD2 ASP A 64 4.267 -24.626 11.795 1.00 0.00 O ATOM 0 H ASP A 64 3.380 -26.669 9.298 1.00 0.00 H new ATOM 0 HA ASP A 64 2.766 -28.599 11.314 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.395 -27.048 12.552 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.978 -27.640 11.009 1.00 0.00 H new ATOM 740 N ARG A 65 1.229 -25.818 11.457 1.00 0.00 N ATOM 741 CA ARG A 65 0.329 -24.775 12.037 1.00 0.00 C ATOM 742 C ARG A 65 -0.911 -24.459 11.184 1.00 0.00 C ATOM 743 O ARG A 65 -0.934 -24.697 9.992 1.00 0.00 O ATOM 744 CB ARG A 65 1.301 -23.650 12.157 1.00 0.00 C ATOM 745 CG ARG A 65 0.926 -22.234 12.634 1.00 0.00 C ATOM 746 CD ARG A 65 2.073 -21.292 12.120 1.00 0.00 C ATOM 747 NE ARG A 65 3.367 -22.067 12.309 1.00 0.00 N ATOM 748 CZ ARG A 65 4.309 -21.740 13.079 1.00 0.00 C ATOM 749 NH1 ARG A 65 4.212 -22.120 14.290 1.00 0.00 N ATOM 750 NH2 ARG A 65 5.271 -21.072 12.575 1.00 0.00 N ATOM 0 H ARG A 65 1.458 -25.608 10.486 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.156 -25.059 12.971 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.088 -23.998 12.826 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.751 -23.530 11.171 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.040 -21.929 12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.846 -22.196 13.720 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.924 -21.031 11.072 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.092 -20.358 12.681 1.00 0.00 H new ATOM 0 HE ARG A 65 3.482 -22.923 11.767 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.401 -22.660 14.592 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.945 -21.884 14.959 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.256 -20.824 11.586 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.055 -20.786 13.161 1.00 0.00 H new ATOM 764 N VAL A 66 -1.907 -23.909 11.816 1.00 0.00 N ATOM 765 CA VAL A 66 -3.114 -23.510 11.024 1.00 0.00 C ATOM 766 C VAL A 66 -2.990 -21.975 10.898 1.00 0.00 C ATOM 767 O VAL A 66 -2.565 -21.309 11.825 1.00 0.00 O ATOM 768 CB VAL A 66 -4.383 -24.025 11.803 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.666 -24.099 10.965 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.212 -25.492 11.980 1.00 0.00 C ATOM 0 H VAL A 66 -1.946 -23.720 12.818 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.200 -23.935 10.024 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.462 -23.363 12.665 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.485 -24.464 11.585 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.911 -23.107 10.587 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.515 -24.779 10.127 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.070 -25.896 12.517 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.137 -25.970 11.003 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.303 -25.686 12.550 1.00 0.00 H new ATOM 780 N ARG A 67 -3.325 -21.437 9.763 1.00 0.00 N ATOM 781 CA ARG A 67 -3.222 -19.945 9.559 1.00 0.00 C ATOM 782 C ARG A 67 -4.466 -19.341 10.178 1.00 0.00 C ATOM 783 O ARG A 67 -5.544 -19.633 9.695 1.00 0.00 O ATOM 784 CB ARG A 67 -3.203 -19.624 8.059 1.00 0.00 C ATOM 785 CG ARG A 67 -2.683 -18.199 7.704 1.00 0.00 C ATOM 786 CD ARG A 67 -1.159 -18.143 7.872 1.00 0.00 C ATOM 787 NE ARG A 67 -0.548 -19.113 6.908 1.00 0.00 N ATOM 788 CZ ARG A 67 0.328 -18.754 6.042 1.00 0.00 C ATOM 789 NH1 ARG A 67 1.407 -18.220 6.442 1.00 0.00 N ATOM 790 NH2 ARG A 67 0.133 -18.914 4.797 1.00 0.00 N ATOM 0 H ARG A 67 -3.669 -21.958 8.956 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.312 -19.550 10.010 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.579 -20.360 7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.213 -19.736 7.665 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.954 -17.948 6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.156 -17.458 8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.792 -17.135 7.681 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.879 -18.396 8.895 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.838 -20.090 6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.568 -18.082 7.440 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.113 -17.929 5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.735 -19.336 4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.844 -18.621 4.128 1.00 0.00 H new ATOM 804 N LEU A 68 -4.305 -18.553 11.209 1.00 0.00 N ATOM 805 CA LEU A 68 -5.503 -17.931 11.837 1.00 0.00 C ATOM 806 C LEU A 68 -5.539 -16.401 11.667 1.00 0.00 C ATOM 807 O LEU A 68 -5.056 -15.680 12.524 1.00 0.00 O ATOM 808 CB LEU A 68 -5.536 -18.321 13.381 1.00 0.00 C ATOM 809 CG LEU A 68 -6.291 -19.658 13.676 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.694 -20.833 12.919 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.195 -19.991 15.164 1.00 0.00 C ATOM 0 H LEU A 68 -3.409 -18.317 11.636 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.387 -18.316 11.329 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.513 -18.403 13.748 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.011 -17.515 13.940 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.323 -19.508 13.360 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.251 -21.739 13.156 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.750 -20.642 11.847 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.652 -20.962 13.210 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.723 -20.924 15.363 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.148 -20.100 15.446 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.646 -19.187 15.746 1.00 0.00 H new ATOM 823 N PHE A 69 -6.053 -15.946 10.542 1.00 0.00 N ATOM 824 CA PHE A 69 -6.317 -14.486 10.502 1.00 0.00 C ATOM 825 C PHE A 69 -7.573 -14.246 11.374 1.00 0.00 C ATOM 826 O PHE A 69 -8.736 -14.496 11.083 1.00 0.00 O ATOM 827 CB PHE A 69 -6.458 -14.009 8.953 1.00 0.00 C ATOM 828 CG PHE A 69 -5.017 -13.926 8.626 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.433 -12.894 9.261 1.00 0.00 C ATOM 830 CD2 PHE A 69 -4.271 -14.766 7.846 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.132 -12.666 9.158 1.00 0.00 C ATOM 832 CE2 PHE A 69 -2.962 -14.542 7.744 1.00 0.00 C ATOM 833 CZ PHE A 69 -2.362 -13.505 8.374 1.00 0.00 C ATOM 0 H PHE A 69 -6.284 -16.486 9.709 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.506 -13.883 10.909 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.993 -14.729 8.334 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.973 -13.054 8.848 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.038 -12.237 9.868 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.733 -15.592 7.325 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.679 -11.836 9.680 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.362 -15.207 7.141 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.301 -13.336 8.266 1.00 0.00 H new ATOM 843 N VAL A 70 -7.166 -13.720 12.501 1.00 0.00 N ATOM 844 CA VAL A 70 -8.151 -13.413 13.617 1.00 0.00 C ATOM 845 C VAL A 70 -8.440 -11.937 13.516 1.00 0.00 C ATOM 846 O VAL A 70 -7.764 -11.295 12.762 1.00 0.00 O ATOM 847 CB VAL A 70 -7.536 -13.689 15.004 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.050 -15.114 15.136 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.338 -12.762 15.290 1.00 0.00 C ATOM 0 H VAL A 70 -6.196 -13.485 12.710 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.040 -14.035 13.515 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.336 -13.503 15.720 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.625 -15.263 16.129 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.886 -15.798 14.993 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.288 -15.310 14.382 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.932 -12.986 16.276 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.567 -12.920 14.535 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.667 -11.723 15.261 1.00 0.00 H new ATOM 859 N ASP A 71 -9.350 -11.332 14.211 1.00 0.00 N ATOM 860 CA ASP A 71 -9.553 -9.884 13.916 1.00 0.00 C ATOM 861 C ASP A 71 -8.779 -8.954 14.847 1.00 0.00 C ATOM 862 O ASP A 71 -7.658 -9.183 15.267 1.00 0.00 O ATOM 863 CB ASP A 71 -11.084 -9.612 13.977 1.00 0.00 C ATOM 864 CG ASP A 71 -11.586 -9.538 15.394 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.397 -10.513 16.097 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.110 -8.463 15.646 1.00 0.00 O ATOM 0 H ASP A 71 -9.938 -11.744 14.935 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.154 -9.665 12.925 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.307 -8.677 13.464 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.614 -10.402 13.445 1.00 0.00 H new ATOM 871 N LYS A 72 -9.495 -7.907 15.114 1.00 0.00 N ATOM 872 CA LYS A 72 -9.053 -6.794 15.994 1.00 0.00 C ATOM 873 C LYS A 72 -9.507 -7.049 17.455 1.00 0.00 C ATOM 874 O LYS A 72 -9.434 -6.196 18.326 1.00 0.00 O ATOM 875 CB LYS A 72 -9.663 -5.530 15.307 1.00 0.00 C ATOM 876 CG LYS A 72 -9.330 -4.165 15.981 1.00 0.00 C ATOM 877 CD LYS A 72 -10.664 -3.343 16.134 1.00 0.00 C ATOM 878 CE LYS A 72 -11.484 -3.964 17.257 1.00 0.00 C ATOM 879 NZ LYS A 72 -10.698 -3.758 18.515 1.00 0.00 N ATOM 0 H LYS A 72 -10.431 -7.769 14.732 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.974 -6.679 16.093 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.316 -5.498 14.274 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.747 -5.644 15.276 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.871 -4.326 16.956 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.611 -3.611 15.378 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.443 -2.299 16.358 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.227 -3.356 15.201 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.464 -3.492 17.329 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.653 -5.025 17.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.350 -3.592 19.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.125 -4.604 18.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.073 -2.935 18.403 1.00 0.00 H new ATOM 893 N LEU A 73 -9.985 -8.248 17.603 1.00 0.00 N ATOM 894 CA LEU A 73 -10.477 -8.875 18.874 1.00 0.00 C ATOM 895 C LEU A 73 -10.090 -10.395 18.930 1.00 0.00 C ATOM 896 O LEU A 73 -10.885 -11.174 19.408 1.00 0.00 O ATOM 897 CB LEU A 73 -11.979 -8.704 18.855 1.00 0.00 C ATOM 898 CG LEU A 73 -12.413 -7.246 18.669 1.00 0.00 C ATOM 899 CD1 LEU A 73 -13.928 -7.211 18.436 1.00 0.00 C ATOM 900 CD2 LEU A 73 -12.100 -6.427 19.936 1.00 0.00 C ATOM 0 H LEU A 73 -10.063 -8.886 16.811 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.030 -8.409 19.752 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.398 -9.308 18.050 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.394 -9.085 19.788 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.876 -6.821 17.821 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.252 -6.179 18.302 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.172 -7.787 17.543 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.439 -7.642 19.297 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.414 -5.394 19.788 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.636 -6.851 20.785 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.028 -6.456 20.132 1.00 0.00 H new ATOM 912 N ASP A 74 -8.921 -10.760 18.462 1.00 0.00 N ATOM 913 CA ASP A 74 -8.463 -12.182 18.393 1.00 0.00 C ATOM 914 C ASP A 74 -9.502 -13.252 18.027 1.00 0.00 C ATOM 915 O ASP A 74 -9.265 -14.410 18.287 1.00 0.00 O ATOM 916 CB ASP A 74 -7.757 -12.451 19.796 1.00 0.00 C ATOM 917 CG ASP A 74 -8.463 -13.464 20.719 1.00 0.00 C ATOM 918 OD1 ASP A 74 -9.456 -13.056 21.303 1.00 0.00 O ATOM 919 OD2 ASP A 74 -7.969 -14.580 20.786 1.00 0.00 O ATOM 0 H ASP A 74 -8.234 -10.095 18.108 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.794 -12.288 17.539 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.743 -12.804 19.609 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.672 -11.503 20.326 1.00 0.00 H new ATOM 924 N ASN A 75 -10.584 -12.860 17.412 1.00 0.00 N ATOM 925 CA ASN A 75 -11.652 -13.806 16.986 1.00 0.00 C ATOM 926 C ASN A 75 -11.557 -14.010 15.465 1.00 0.00 C ATOM 927 O ASN A 75 -11.274 -13.117 14.697 1.00 0.00 O ATOM 928 CB ASN A 75 -13.017 -13.202 17.415 1.00 0.00 C ATOM 929 CG ASN A 75 -13.169 -13.315 18.908 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.100 -14.370 19.497 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.382 -12.224 19.542 1.00 0.00 N ATOM 0 H ASN A 75 -10.777 -11.886 17.180 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.542 -14.784 17.454 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.076 -12.157 17.111 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.832 -13.726 16.915 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.496 -12.237 20.556 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.438 -11.341 19.034 1.00 0.00 H new ATOM 938 N ILE A 76 -11.799 -15.211 15.073 1.00 0.00 N ATOM 939 CA ILE A 76 -11.699 -15.635 13.680 1.00 0.00 C ATOM 940 C ILE A 76 -12.670 -14.934 12.806 1.00 0.00 C ATOM 941 O ILE A 76 -13.881 -15.068 12.814 1.00 0.00 O ATOM 942 CB ILE A 76 -11.849 -17.114 13.673 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.595 -17.433 14.527 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.675 -17.538 12.163 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.372 -18.832 14.651 1.00 0.00 C ATOM 0 H ILE A 76 -12.079 -15.958 15.708 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.732 -15.363 13.257 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.765 -17.582 14.034 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.720 -16.966 14.074 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.712 -16.996 15.519 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.773 -18.620 12.075 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.442 -17.054 11.558 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.690 -17.233 11.811 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.483 -19.006 15.257 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.234 -19.297 15.129 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.227 -19.266 13.662 1.00 0.00 H new ATOM 957 N ALA A 77 -11.925 -14.217 12.046 1.00 0.00 N ATOM 958 CA ALA A 77 -12.399 -13.239 11.104 1.00 0.00 C ATOM 959 C ALA A 77 -12.655 -13.951 9.776 1.00 0.00 C ATOM 960 O ALA A 77 -13.719 -13.849 9.202 1.00 0.00 O ATOM 961 CB ALA A 77 -11.228 -12.303 11.338 1.00 0.00 C ATOM 0 H ALA A 77 -10.908 -14.293 12.057 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.346 -12.703 11.165 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.337 -11.419 10.710 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.206 -12.003 12.386 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.298 -12.814 11.087 1.00 0.00 H new ATOM 967 N GLN A 78 -11.658 -14.662 9.363 1.00 0.00 N ATOM 968 CA GLN A 78 -11.731 -15.430 8.078 1.00 0.00 C ATOM 969 C GLN A 78 -11.576 -16.900 8.455 1.00 0.00 C ATOM 970 O GLN A 78 -11.033 -17.179 9.503 1.00 0.00 O ATOM 971 CB GLN A 78 -10.586 -14.949 7.174 1.00 0.00 C ATOM 972 CG GLN A 78 -10.529 -15.804 5.860 1.00 0.00 C ATOM 973 CD GLN A 78 -9.239 -15.509 5.111 1.00 0.00 C ATOM 974 OE1 GLN A 78 -8.157 -15.746 5.602 1.00 0.00 O ATOM 975 NE2 GLN A 78 -9.272 -14.992 3.924 1.00 0.00 N ATOM 0 H GLN A 78 -10.773 -14.753 9.863 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.667 -15.286 7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.728 -13.897 6.925 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.638 -15.025 7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.585 -16.865 6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.388 -15.575 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.168 -14.781 3.484 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.402 -14.796 3.429 1.00 0.00 H new ATOM 984 N VAL A 79 -12.018 -17.830 7.648 1.00 0.00 N ATOM 985 CA VAL A 79 -11.796 -19.239 8.097 1.00 0.00 C ATOM 986 C VAL A 79 -10.295 -19.598 8.198 1.00 0.00 C ATOM 987 O VAL A 79 -9.527 -19.220 7.332 1.00 0.00 O ATOM 988 CB VAL A 79 -12.487 -20.215 7.119 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.174 -21.669 7.562 1.00 0.00 C ATOM 990 CG2 VAL A 79 -13.955 -20.060 7.370 1.00 0.00 C ATOM 0 H VAL A 79 -12.492 -17.694 6.755 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.227 -19.329 9.094 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.174 -20.024 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.656 -22.369 6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.096 -21.830 7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.550 -21.830 8.572 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.510 -20.725 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.176 -20.313 8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.250 -19.028 7.178 1.00 0.00 H new ATOM 1000 N PRO A 80 -9.913 -20.313 9.234 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.499 -20.737 9.439 1.00 0.00 C ATOM 1002 C PRO A 80 -8.277 -22.062 8.681 1.00 0.00 C ATOM 1003 O PRO A 80 -9.228 -22.790 8.446 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.370 -20.878 10.944 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.740 -20.383 11.460 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.727 -20.807 10.372 1.00 0.00 C ATOM 0 HA PRO A 80 -7.749 -20.042 9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.177 -21.910 11.237 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.550 -20.277 11.337 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.990 -20.833 12.421 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.745 -19.302 11.603 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.908 -21.882 10.343 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.700 -20.322 10.454 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.049 -22.374 8.341 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.805 -23.623 7.539 1.00 0.00 C ATOM 1016 C ARG A 81 -5.391 -24.200 7.733 1.00 0.00 C ATOM 1017 O ARG A 81 -4.476 -23.450 8.014 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.136 -23.224 6.051 1.00 0.00 C ATOM 1019 CG ARG A 81 -5.937 -23.421 5.128 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.234 -22.822 3.749 1.00 0.00 C ATOM 1021 NE ARG A 81 -5.098 -23.254 2.865 1.00 0.00 N ATOM 1022 CZ ARG A 81 -5.200 -23.938 1.792 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -6.291 -23.929 1.141 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -4.178 -24.592 1.425 1.00 0.00 N ATOM 0 H ARG A 81 -6.218 -21.832 8.577 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.439 -24.446 7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.973 -23.824 5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.453 -22.182 6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.055 -22.946 5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.712 -24.483 5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.188 -23.181 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.299 -21.735 3.800 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.159 -22.975 3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.080 -23.377 1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.377 -24.474 0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.323 -24.557 1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.210 -25.154 0.574 1.00 0.00 H new ATOM 1038 N VAL A 82 -5.278 -25.505 7.603 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.973 -26.211 7.662 1.00 0.00 C ATOM 1040 C VAL A 82 -3.407 -26.257 6.255 1.00 0.00 C ATOM 1041 O VAL A 82 -3.887 -27.016 5.429 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.953 -27.706 8.001 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.479 -28.052 8.168 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.582 -28.056 9.227 1.00 0.00 C ATOM 0 H VAL A 82 -6.075 -26.124 7.453 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.456 -25.655 8.444 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.491 -28.233 7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.379 -29.109 8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.949 -27.843 7.239 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.053 -27.452 8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.515 -29.134 9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.084 -27.544 10.051 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.630 -27.759 9.196 1.00 0.00 H new ATOM 1054 N GLY A 83 -2.448 -25.469 5.987 1.00 0.00 N ATOM 1055 CA GLY A 83 -1.805 -25.594 4.659 1.00 0.00 C ATOM 1056 C GLY A 83 -2.144 -24.403 3.780 1.00 0.00 C ATOM 1057 O GLY A 83 -2.874 -23.547 4.249 1.00 0.00 O ATOM 1058 OXT GLY A 83 -1.667 -24.404 2.665 1.00 0.00 O ATOM 0 H GLY A 83 -2.073 -24.749 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.724 -25.667 4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.135 -26.514 4.176 1.00 0.00 H new