USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 549 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 21 LYS NZ :NH3+ 152:sc= 2.15 (180deg=1.64) USER MOD Single : A 22 THR OG1 : rot -4:sc= 1.25 USER MOD Single : A 30 LYS NZ :NH3+ -121:sc= 1.25 (180deg=-1.51) USER MOD Single : A 31 SER OG : rot 180:sc= 0.151 USER MOD Single : A 36 LYS NZ :NH3+ -129:sc= -0.304 (180deg=-2.37!) USER MOD Single : A 37 LYS NZ :NH3+ -114:sc= -0.287 (180deg=-3.93!) USER MOD Single : A 41 GLN : amide:sc= 0.301 X(o=0.3,f=-0.0048) USER MOD Single : A 43 LYS NZ :NH3+ -121:sc= -0.63 (180deg=-3.99!) USER MOD Single : A 47 GLN : amide:sc= 0.453 K(o=0.45,f=-0.055) USER MOD Single : A 55 THR OG1 : rot 108:sc= 1.22 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0583 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 139:sc= -0.781! (180deg=-1.43!) USER MOD Single : A 75 ASN : amide:sc= -1.04 K(o=-1,f=-3) USER MOD Single : A 78 GLN : amide:sc= -3.02 K(o=-3,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 1 CA LEU A 20 -8.464 -32.097 3.385 1.00 0.00 C ATOM 2 C LEU A 20 -9.034 -31.257 4.547 1.00 0.00 C ATOM 3 O LEU A 20 -9.866 -30.390 4.376 1.00 0.00 O ATOM 4 CB LEU A 20 -9.224 -31.896 2.029 1.00 0.00 C ATOM 5 CG LEU A 20 -8.645 -30.720 1.189 1.00 0.00 C ATOM 6 CD1 LEU A 20 -9.402 -30.686 -0.151 1.00 0.00 C ATOM 7 CD2 LEU A 20 -8.839 -29.360 1.883 1.00 0.00 C ATOM 0 HB2 LEU A 20 -9.170 -32.816 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.278 -31.709 2.232 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.575 -30.883 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.019 -29.871 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.259 -31.632 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.465 -30.532 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.419 -28.570 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.903 -29.177 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.332 -29.368 2.848 1.00 0.00 H new ATOM 19 N LYS A 21 -8.560 -31.547 5.732 1.00 0.00 N ATOM 20 CA LYS A 21 -9.005 -30.810 6.940 1.00 0.00 C ATOM 21 C LYS A 21 -7.737 -30.103 7.444 1.00 0.00 C ATOM 22 O LYS A 21 -7.099 -30.433 8.428 1.00 0.00 O ATOM 23 CB LYS A 21 -9.570 -31.824 7.956 1.00 0.00 C ATOM 24 CG LYS A 21 -10.791 -31.138 8.660 1.00 0.00 C ATOM 25 CD LYS A 21 -10.329 -29.836 9.373 1.00 0.00 C ATOM 26 CE LYS A 21 -11.506 -29.101 10.013 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.179 -28.249 8.990 1.00 0.00 N ATOM 0 H LYS A 21 -7.871 -32.278 5.910 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.798 -30.084 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.880 -32.741 7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.810 -32.102 8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.562 -30.906 7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.235 -31.821 9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.592 -30.081 10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.837 -29.181 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.215 -29.819 10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.156 -28.485 10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.182 -28.135 9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.721 -27.316 8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.103 -28.702 8.057 1.00 0.00 H new ATOM 41 N THR A 22 -7.455 -29.115 6.645 1.00 0.00 N ATOM 42 CA THR A 22 -6.283 -28.179 6.788 1.00 0.00 C ATOM 43 C THR A 22 -6.754 -26.722 6.923 1.00 0.00 C ATOM 44 O THR A 22 -6.001 -25.803 6.681 1.00 0.00 O ATOM 45 CB THR A 22 -5.340 -28.232 5.550 1.00 0.00 C ATOM 46 OG1 THR A 22 -6.116 -27.912 4.390 1.00 0.00 O ATOM 47 CG2 THR A 22 -4.866 -29.629 5.229 1.00 0.00 C ATOM 0 H THR A 22 -8.032 -28.897 5.833 1.00 0.00 H new ATOM 0 HA THR A 22 -5.750 -28.505 7.681 1.00 0.00 H new ATOM 0 HB THR A 22 -4.508 -27.565 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.057 -27.809 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.213 -29.600 4.357 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.317 -30.032 6.080 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.725 -30.265 5.018 1.00 0.00 H new ATOM 55 N GLU A 23 -7.994 -26.598 7.298 1.00 0.00 N ATOM 56 CA GLU A 23 -8.737 -25.294 7.533 1.00 0.00 C ATOM 57 C GLU A 23 -9.902 -25.424 8.559 1.00 0.00 C ATOM 58 O GLU A 23 -10.393 -26.517 8.788 1.00 0.00 O ATOM 59 CB GLU A 23 -9.245 -24.817 6.146 1.00 0.00 C ATOM 60 CG GLU A 23 -10.346 -25.797 5.615 1.00 0.00 C ATOM 61 CD GLU A 23 -9.903 -27.266 5.690 1.00 0.00 C ATOM 62 OE1 GLU A 23 -8.923 -27.575 5.006 1.00 0.00 O ATOM 63 OE2 GLU A 23 -10.565 -27.959 6.452 1.00 0.00 O ATOM 0 H GLU A 23 -8.583 -27.413 7.469 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.063 -24.564 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.651 -23.809 6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.415 -24.772 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.258 -25.665 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.587 -25.545 4.582 1.00 0.00 H new ATOM 70 N TRP A 24 -10.336 -24.330 9.145 1.00 0.00 N ATOM 71 CA TRP A 24 -11.404 -24.461 10.204 1.00 0.00 C ATOM 72 C TRP A 24 -12.549 -23.462 10.276 1.00 0.00 C ATOM 73 O TRP A 24 -12.701 -22.750 11.249 1.00 0.00 O ATOM 74 CB TRP A 24 -10.646 -24.518 11.527 1.00 0.00 C ATOM 75 CG TRP A 24 -10.167 -25.882 11.795 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.904 -26.735 12.473 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.018 -26.413 11.466 1.00 0.00 C ATOM 78 NE1 TRP A 24 -10.124 -27.807 12.536 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.946 -27.691 11.943 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.017 -25.835 10.752 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.813 -28.408 11.695 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -6.909 -26.562 10.517 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.795 -27.846 10.982 1.00 0.00 C ATOM 0 H TRP A 24 -10.014 -23.382 8.949 1.00 0.00 H new ATOM 0 HA TRP A 24 -11.973 -25.351 9.936 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -9.801 -23.830 11.497 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.296 -24.190 12.338 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.896 -26.597 12.877 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -10.413 -28.663 13.010 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.108 -24.824 10.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.722 -29.419 12.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.097 -26.127 9.953 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.898 -28.414 10.784 1.00 0.00 H new ATOM 94 N PRO A 25 -13.364 -23.456 9.256 1.00 0.00 N ATOM 95 CA PRO A 25 -14.515 -22.520 9.132 1.00 0.00 C ATOM 96 C PRO A 25 -15.410 -22.589 10.351 1.00 0.00 C ATOM 97 O PRO A 25 -15.863 -21.574 10.836 1.00 0.00 O ATOM 98 CB PRO A 25 -15.135 -22.959 7.809 1.00 0.00 C ATOM 99 CG PRO A 25 -13.950 -23.565 7.025 1.00 0.00 C ATOM 100 CD PRO A 25 -13.267 -24.386 8.102 1.00 0.00 C ATOM 0 HA PRO A 25 -14.267 -21.459 9.108 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.928 -23.691 7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.577 -22.117 7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.282 -24.180 6.189 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.293 -22.798 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.777 -25.331 8.288 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.234 -24.625 7.848 1.00 0.00 H new ATOM 108 N GLU A 26 -15.609 -23.780 10.833 1.00 0.00 N ATOM 109 CA GLU A 26 -16.490 -24.035 11.997 1.00 0.00 C ATOM 110 C GLU A 26 -16.106 -23.078 13.165 1.00 0.00 C ATOM 111 O GLU A 26 -16.896 -22.685 14.007 1.00 0.00 O ATOM 112 CB GLU A 26 -16.289 -25.526 12.328 1.00 0.00 C ATOM 113 CG GLU A 26 -16.239 -26.476 11.038 1.00 0.00 C ATOM 114 CD GLU A 26 -14.823 -26.693 10.456 1.00 0.00 C ATOM 115 OE1 GLU A 26 -13.898 -26.062 10.931 1.00 0.00 O ATOM 116 OE2 GLU A 26 -14.705 -27.495 9.539 1.00 0.00 O ATOM 0 H GLU A 26 -15.177 -24.621 10.449 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.544 -23.838 11.803 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.361 -25.642 12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.098 -25.856 12.979 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.663 -27.445 11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.875 -26.049 10.263 1.00 0.00 H new ATOM 123 N LEU A 27 -14.856 -22.697 13.171 1.00 0.00 N ATOM 124 CA LEU A 27 -14.315 -21.829 14.247 1.00 0.00 C ATOM 125 C LEU A 27 -14.663 -20.339 14.068 1.00 0.00 C ATOM 126 O LEU A 27 -14.681 -19.658 15.080 1.00 0.00 O ATOM 127 CB LEU A 27 -12.772 -22.094 14.286 1.00 0.00 C ATOM 128 CG LEU A 27 -12.483 -23.611 14.440 1.00 0.00 C ATOM 129 CD1 LEU A 27 -11.002 -23.860 14.699 1.00 0.00 C ATOM 130 CD2 LEU A 27 -13.221 -24.222 15.630 1.00 0.00 C ATOM 0 H LEU A 27 -14.176 -22.959 12.457 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.777 -22.079 15.202 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.310 -21.721 13.372 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.324 -21.547 15.116 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.815 -24.066 13.507 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.826 -24.931 14.803 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.417 -23.476 13.864 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.703 -23.352 15.616 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.987 -25.285 15.696 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.908 -23.723 16.547 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.295 -24.094 15.496 1.00 0.00 H new ATOM 142 N VAL A 28 -14.939 -19.860 12.869 1.00 0.00 N ATOM 143 CA VAL A 28 -15.293 -18.398 12.703 1.00 0.00 C ATOM 144 C VAL A 28 -16.362 -18.065 13.785 1.00 0.00 C ATOM 145 O VAL A 28 -17.282 -18.838 14.017 1.00 0.00 O ATOM 146 CB VAL A 28 -15.866 -18.127 11.220 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.275 -16.641 11.048 1.00 0.00 C ATOM 148 CG2 VAL A 28 -14.874 -18.469 10.048 1.00 0.00 C ATOM 0 H VAL A 28 -14.936 -20.407 12.008 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.416 -17.764 12.828 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.718 -18.803 11.145 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.658 -16.483 10.040 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.049 -16.390 11.774 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.406 -16.003 11.209 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.352 -18.253 9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -13.972 -17.866 10.147 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.611 -19.526 10.091 1.00 0.00 H new ATOM 158 N GLY A 29 -16.222 -16.935 14.437 1.00 0.00 N ATOM 159 CA GLY A 29 -17.185 -16.598 15.550 1.00 0.00 C ATOM 160 C GLY A 29 -16.585 -16.855 16.947 1.00 0.00 C ATOM 161 O GLY A 29 -17.092 -16.366 17.936 1.00 0.00 O ATOM 0 H GLY A 29 -15.499 -16.239 14.256 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.476 -15.551 15.470 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.092 -17.191 15.433 1.00 0.00 H new ATOM 165 N LYS A 30 -15.531 -17.627 17.006 1.00 0.00 N ATOM 166 CA LYS A 30 -14.866 -17.954 18.316 1.00 0.00 C ATOM 167 C LYS A 30 -13.465 -17.370 18.427 1.00 0.00 C ATOM 168 O LYS A 30 -12.902 -17.045 17.413 1.00 0.00 O ATOM 169 CB LYS A 30 -14.775 -19.459 18.430 1.00 0.00 C ATOM 170 CG LYS A 30 -16.233 -19.983 18.614 1.00 0.00 C ATOM 171 CD LYS A 30 -16.389 -21.466 18.190 1.00 0.00 C ATOM 172 CE LYS A 30 -17.634 -21.603 17.299 1.00 0.00 C ATOM 173 NZ LYS A 30 -17.333 -20.860 16.036 1.00 0.00 N ATOM 0 H LYS A 30 -15.091 -18.055 16.191 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.463 -17.517 19.116 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.319 -19.888 17.538 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.151 -19.746 19.276 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.526 -19.874 19.658 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.914 -19.367 18.027 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.502 -21.799 17.651 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.484 -22.101 19.071 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.849 -22.651 17.091 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.513 -21.189 17.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.037 -20.107 15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.384 -20.439 16.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.368 -21.517 15.230 1.00 0.00 H new ATOM 187 N SER A 31 -12.939 -17.269 19.613 1.00 0.00 N ATOM 188 CA SER A 31 -11.553 -16.720 19.846 1.00 0.00 C ATOM 189 C SER A 31 -10.458 -17.713 19.743 1.00 0.00 C ATOM 190 O SER A 31 -10.547 -18.912 19.931 1.00 0.00 O ATOM 191 CB SER A 31 -11.535 -16.037 21.238 1.00 0.00 C ATOM 192 OG SER A 31 -12.363 -16.896 22.024 1.00 0.00 O ATOM 0 H SER A 31 -13.421 -17.551 20.467 1.00 0.00 H new ATOM 0 HA SER A 31 -11.353 -16.012 19.042 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.525 -15.969 21.642 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.931 -15.022 21.196 1.00 0.00 H new ATOM 0 HG SER A 31 -12.418 -16.550 22.939 1.00 0.00 H new ATOM 198 N VAL A 32 -9.388 -17.067 19.409 1.00 0.00 N ATOM 199 CA VAL A 32 -8.146 -17.736 19.097 1.00 0.00 C ATOM 200 C VAL A 32 -7.766 -18.964 19.950 1.00 0.00 C ATOM 201 O VAL A 32 -7.578 -20.013 19.363 1.00 0.00 O ATOM 202 CB VAL A 32 -7.145 -16.508 19.091 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.722 -16.004 20.492 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.876 -16.742 18.253 1.00 0.00 C ATOM 0 H VAL A 32 -9.341 -16.050 19.342 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.169 -18.281 18.153 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.747 -15.731 18.620 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.037 -15.163 20.385 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.605 -15.685 21.046 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.226 -16.809 21.034 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.241 -15.857 18.299 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.332 -17.599 18.649 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.155 -16.936 17.217 1.00 0.00 H new ATOM 214 N GLU A 33 -7.671 -18.865 21.255 1.00 0.00 N ATOM 215 CA GLU A 33 -7.305 -20.104 22.037 1.00 0.00 C ATOM 216 C GLU A 33 -8.383 -21.192 22.013 1.00 0.00 C ATOM 217 O GLU A 33 -8.102 -22.364 22.192 1.00 0.00 O ATOM 218 CB GLU A 33 -6.963 -19.698 23.522 1.00 0.00 C ATOM 219 CG GLU A 33 -5.607 -18.868 23.616 1.00 0.00 C ATOM 220 CD GLU A 33 -4.480 -19.480 22.789 1.00 0.00 C ATOM 221 OE1 GLU A 33 -4.589 -19.355 21.585 1.00 0.00 O ATOM 222 OE2 GLU A 33 -3.540 -20.051 23.308 1.00 0.00 O ATOM 0 H GLU A 33 -7.823 -18.017 21.802 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.434 -20.543 21.550 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.780 -19.105 23.933 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.881 -20.596 24.134 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.787 -17.848 23.278 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.295 -18.808 24.659 1.00 0.00 H new ATOM 229 N GLU A 34 -9.593 -20.785 21.778 1.00 0.00 N ATOM 230 CA GLU A 34 -10.714 -21.761 21.685 1.00 0.00 C ATOM 231 C GLU A 34 -10.628 -22.430 20.307 1.00 0.00 C ATOM 232 O GLU A 34 -10.672 -23.647 20.203 1.00 0.00 O ATOM 233 CB GLU A 34 -12.036 -21.002 21.890 1.00 0.00 C ATOM 234 CG GLU A 34 -11.944 -20.272 23.278 1.00 0.00 C ATOM 235 CD GLU A 34 -11.531 -21.154 24.455 1.00 0.00 C ATOM 236 OE1 GLU A 34 -11.860 -22.328 24.459 1.00 0.00 O ATOM 237 OE2 GLU A 34 -10.877 -20.620 25.336 1.00 0.00 O ATOM 0 H GLU A 34 -9.859 -19.809 21.645 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.659 -22.536 22.449 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.195 -20.282 21.087 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.881 -21.690 21.873 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.231 -19.452 23.192 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.914 -19.828 23.501 1.00 0.00 H new ATOM 244 N ALA A 35 -10.493 -21.632 19.262 1.00 0.00 N ATOM 245 CA ALA A 35 -10.351 -22.247 17.904 1.00 0.00 C ATOM 246 C ALA A 35 -9.232 -23.281 18.005 1.00 0.00 C ATOM 247 O ALA A 35 -9.314 -24.396 17.541 1.00 0.00 O ATOM 248 CB ALA A 35 -9.960 -21.168 16.880 1.00 0.00 C ATOM 0 H ALA A 35 -10.476 -20.613 19.293 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.287 -22.703 17.582 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.858 -21.622 15.894 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.733 -20.400 16.848 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.012 -20.717 17.171 1.00 0.00 H new ATOM 254 N LYS A 36 -8.189 -22.858 18.663 1.00 0.00 N ATOM 255 CA LYS A 36 -6.979 -23.676 18.811 1.00 0.00 C ATOM 256 C LYS A 36 -7.329 -25.012 19.392 1.00 0.00 C ATOM 257 O LYS A 36 -6.899 -26.024 18.887 1.00 0.00 O ATOM 258 CB LYS A 36 -6.030 -22.845 19.678 1.00 0.00 C ATOM 259 CG LYS A 36 -4.709 -23.582 19.947 1.00 0.00 C ATOM 260 CD LYS A 36 -3.825 -22.708 20.874 1.00 0.00 C ATOM 261 CE LYS A 36 -3.133 -21.593 20.095 1.00 0.00 C ATOM 262 NZ LYS A 36 -2.425 -20.752 21.087 1.00 0.00 N ATOM 0 H LYS A 36 -8.136 -21.945 19.116 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.493 -23.907 17.863 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.822 -21.896 19.183 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.515 -22.611 20.626 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.904 -24.548 20.413 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.190 -23.780 19.009 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.440 -22.275 21.663 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.076 -23.333 21.360 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.433 -22.006 19.369 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.860 -21.003 19.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.677 -19.754 20.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.702 -21.040 22.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.398 -20.871 20.973 1.00 0.00 H new ATOM 276 N LYS A 37 -8.109 -24.973 20.425 1.00 0.00 N ATOM 277 CA LYS A 37 -8.504 -26.245 21.069 1.00 0.00 C ATOM 278 C LYS A 37 -9.116 -27.195 20.054 1.00 0.00 C ATOM 279 O LYS A 37 -8.754 -28.351 19.957 1.00 0.00 O ATOM 280 CB LYS A 37 -9.486 -25.943 22.196 1.00 0.00 C ATOM 281 CG LYS A 37 -8.665 -25.312 23.311 1.00 0.00 C ATOM 282 CD LYS A 37 -9.593 -24.616 24.304 1.00 0.00 C ATOM 283 CE LYS A 37 -8.721 -23.656 25.084 1.00 0.00 C ATOM 284 NZ LYS A 37 -9.593 -22.752 25.880 1.00 0.00 N ATOM 0 H LYS A 37 -8.487 -24.126 20.848 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.622 -26.734 21.481 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.271 -25.266 21.859 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.977 -26.853 22.540 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.079 -26.076 23.821 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.959 -24.594 22.894 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.392 -24.085 23.786 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.068 -25.339 24.967 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.049 -24.207 25.742 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.097 -23.076 24.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.499 -21.779 25.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.583 -23.058 25.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.308 -22.786 26.880 1.00 0.00 H new ATOM 298 N VAL A 38 -10.035 -26.660 19.307 1.00 0.00 N ATOM 299 CA VAL A 38 -10.701 -27.511 18.261 1.00 0.00 C ATOM 300 C VAL A 38 -9.719 -27.956 17.171 1.00 0.00 C ATOM 301 O VAL A 38 -9.622 -29.098 16.765 1.00 0.00 O ATOM 302 CB VAL A 38 -11.824 -26.746 17.565 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.423 -27.678 16.495 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.895 -26.272 18.551 1.00 0.00 C ATOM 0 H VAL A 38 -10.356 -25.693 19.364 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.091 -28.381 18.789 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.424 -25.842 17.105 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.231 -27.163 15.975 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.649 -27.954 15.779 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.813 -28.577 16.973 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.673 -25.733 18.011 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.333 -27.134 19.055 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.442 -25.611 19.290 1.00 0.00 H new ATOM 314 N ILE A 39 -8.993 -27.000 16.701 1.00 0.00 N ATOM 315 CA ILE A 39 -8.018 -27.270 15.624 1.00 0.00 C ATOM 316 C ILE A 39 -7.083 -28.359 16.073 1.00 0.00 C ATOM 317 O ILE A 39 -6.948 -29.361 15.419 1.00 0.00 O ATOM 318 CB ILE A 39 -7.229 -26.030 15.348 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.214 -25.065 14.713 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.227 -26.366 14.284 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.517 -23.802 14.267 1.00 0.00 C ATOM 0 H ILE A 39 -9.031 -26.031 17.018 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.543 -27.579 14.720 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.747 -25.634 16.242 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.696 -25.540 13.859 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.000 -24.819 15.427 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.630 -25.483 14.055 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.574 -27.164 14.638 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.748 -26.696 13.385 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.243 -23.126 13.815 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.056 -23.317 15.128 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.748 -24.050 13.536 1.00 0.00 H new ATOM 333 N LEU A 40 -6.459 -28.150 17.189 1.00 0.00 N ATOM 334 CA LEU A 40 -5.509 -29.165 17.689 1.00 0.00 C ATOM 335 C LEU A 40 -6.273 -30.447 18.018 1.00 0.00 C ATOM 336 O LEU A 40 -5.699 -31.516 18.044 1.00 0.00 O ATOM 337 CB LEU A 40 -4.823 -28.436 18.838 1.00 0.00 C ATOM 338 CG LEU A 40 -3.716 -27.592 18.139 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.509 -26.288 18.859 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.403 -28.394 18.149 1.00 0.00 C ATOM 0 H LEU A 40 -6.566 -27.322 17.775 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.748 -29.524 16.996 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.523 -27.803 19.384 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.397 -29.135 19.558 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.023 -27.377 17.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.732 -25.713 18.355 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.439 -25.720 18.857 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.206 -26.484 19.887 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.619 -27.814 17.662 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.113 -28.604 19.178 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.546 -29.333 17.613 1.00 0.00 H new ATOM 352 N GLN A 41 -7.553 -30.325 18.264 1.00 0.00 N ATOM 353 CA GLN A 41 -8.384 -31.557 18.477 1.00 0.00 C ATOM 354 C GLN A 41 -8.444 -32.361 17.136 1.00 0.00 C ATOM 355 O GLN A 41 -8.584 -33.569 17.164 1.00 0.00 O ATOM 356 CB GLN A 41 -9.821 -31.108 18.952 1.00 0.00 C ATOM 357 CG GLN A 41 -10.812 -32.297 19.034 1.00 0.00 C ATOM 358 CD GLN A 41 -10.414 -33.223 20.153 1.00 0.00 C ATOM 359 OE1 GLN A 41 -10.861 -33.116 21.269 1.00 0.00 O ATOM 360 NE2 GLN A 41 -9.565 -34.161 19.928 1.00 0.00 N ATOM 0 H GLN A 41 -8.056 -29.440 18.327 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.952 -32.204 19.241 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.746 -30.633 19.930 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.212 -30.359 18.263 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.824 -31.927 19.200 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.822 -32.839 18.088 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.169 -34.278 18.995 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.287 -34.789 20.682 1.00 0.00 H new ATOM 369 N ASP A 42 -8.344 -31.630 16.054 1.00 0.00 N ATOM 370 CA ASP A 42 -8.387 -32.121 14.619 1.00 0.00 C ATOM 371 C ASP A 42 -7.027 -32.373 13.858 1.00 0.00 C ATOM 372 O ASP A 42 -6.763 -33.425 13.304 1.00 0.00 O ATOM 373 CB ASP A 42 -9.277 -31.051 13.959 1.00 0.00 C ATOM 374 CG ASP A 42 -9.724 -31.276 12.527 1.00 0.00 C ATOM 375 OD1 ASP A 42 -9.248 -32.147 11.814 1.00 0.00 O ATOM 376 OD2 ASP A 42 -10.581 -30.455 12.275 1.00 0.00 O ATOM 0 H ASP A 42 -8.223 -30.619 16.107 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.759 -33.145 14.577 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.170 -30.936 14.573 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.741 -30.103 13.996 1.00 0.00 H new ATOM 381 N LYS A 43 -6.173 -31.388 13.835 1.00 0.00 N ATOM 382 CA LYS A 43 -4.851 -31.481 13.120 1.00 0.00 C ATOM 383 C LYS A 43 -3.651 -31.312 14.090 1.00 0.00 C ATOM 384 O LYS A 43 -2.960 -30.307 14.090 1.00 0.00 O ATOM 385 CB LYS A 43 -4.795 -30.394 12.029 1.00 0.00 C ATOM 386 CG LYS A 43 -3.616 -30.717 11.078 1.00 0.00 C ATOM 387 CD LYS A 43 -4.158 -31.730 10.032 1.00 0.00 C ATOM 388 CE LYS A 43 -3.082 -32.123 9.059 1.00 0.00 C ATOM 389 NZ LYS A 43 -2.074 -32.875 9.848 1.00 0.00 N ATOM 0 H LYS A 43 -6.335 -30.492 14.294 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.773 -32.473 12.676 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.733 -30.365 11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.660 -29.411 12.480 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.252 -29.813 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.777 -31.141 11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.536 -32.617 10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.997 -31.289 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.488 -32.738 8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.637 -31.244 8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.152 -32.398 9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.370 -32.912 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.993 -33.843 9.475 1.00 0.00 H new ATOM 403 N PRO A 44 -3.432 -32.327 14.894 1.00 0.00 N ATOM 404 CA PRO A 44 -2.358 -32.375 15.926 1.00 0.00 C ATOM 405 C PRO A 44 -1.149 -31.436 15.824 1.00 0.00 C ATOM 406 O PRO A 44 -0.813 -30.755 16.772 1.00 0.00 O ATOM 407 CB PRO A 44 -2.006 -33.856 15.909 1.00 0.00 C ATOM 408 CG PRO A 44 -3.422 -34.464 15.911 1.00 0.00 C ATOM 409 CD PRO A 44 -4.196 -33.613 14.882 1.00 0.00 C ATOM 0 HA PRO A 44 -2.724 -31.972 16.870 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.432 -34.138 15.027 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.422 -34.156 16.779 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.405 -35.516 15.627 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.879 -34.408 16.899 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.201 -34.074 13.894 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.237 -33.471 15.173 1.00 0.00 H new ATOM 417 N GLU A 45 -0.536 -31.417 14.677 1.00 0.00 N ATOM 418 CA GLU A 45 0.697 -30.617 14.432 1.00 0.00 C ATOM 419 C GLU A 45 0.500 -29.096 14.551 1.00 0.00 C ATOM 420 O GLU A 45 1.439 -28.364 14.791 1.00 0.00 O ATOM 421 CB GLU A 45 1.174 -31.028 13.034 1.00 0.00 C ATOM 422 CG GLU A 45 1.089 -32.593 12.865 1.00 0.00 C ATOM 423 CD GLU A 45 -0.028 -32.899 11.878 1.00 0.00 C ATOM 424 OE1 GLU A 45 -1.163 -32.994 12.324 1.00 0.00 O ATOM 425 OE2 GLU A 45 0.305 -33.008 10.710 1.00 0.00 O ATOM 0 H GLU A 45 -0.852 -31.946 13.864 1.00 0.00 H new ATOM 0 HA GLU A 45 1.438 -30.828 15.203 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.562 -30.540 12.275 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.200 -30.694 12.880 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.037 -32.989 12.502 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.891 -33.070 13.825 1.00 0.00 H new ATOM 432 N ALA A 46 -0.721 -28.682 14.396 1.00 0.00 N ATOM 433 CA ALA A 46 -1.122 -27.242 14.402 1.00 0.00 C ATOM 434 C ALA A 46 -0.456 -26.245 15.412 1.00 0.00 C ATOM 435 O ALA A 46 -0.976 -25.945 16.474 1.00 0.00 O ATOM 436 CB ALA A 46 -2.652 -27.300 14.572 1.00 0.00 C ATOM 0 H ALA A 46 -1.506 -29.319 14.257 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.753 -26.793 13.480 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.055 -26.287 14.590 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.090 -27.850 13.739 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.895 -27.803 15.508 1.00 0.00 H new ATOM 442 N GLN A 47 0.694 -25.731 15.039 1.00 0.00 N ATOM 443 CA GLN A 47 1.473 -24.725 15.851 1.00 0.00 C ATOM 444 C GLN A 47 0.720 -23.400 15.669 1.00 0.00 C ATOM 445 O GLN A 47 1.124 -22.507 14.947 1.00 0.00 O ATOM 446 CB GLN A 47 2.933 -24.556 15.294 1.00 0.00 C ATOM 447 CG GLN A 47 3.664 -25.905 15.212 1.00 0.00 C ATOM 448 CD GLN A 47 3.883 -26.420 16.614 1.00 0.00 C ATOM 449 OE1 GLN A 47 4.723 -25.961 17.355 1.00 0.00 O ATOM 450 NE2 GLN A 47 3.136 -27.376 17.043 1.00 0.00 N ATOM 0 H GLN A 47 1.149 -25.979 14.161 1.00 0.00 H new ATOM 0 HA GLN A 47 1.553 -25.038 16.892 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.896 -24.101 14.304 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.492 -23.876 15.937 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.077 -26.619 14.634 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.618 -25.788 14.699 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.422 -27.777 16.435 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.258 -27.732 17.991 1.00 0.00 H new ATOM 459 N ILE A 48 -0.389 -23.314 16.326 1.00 0.00 N ATOM 460 CA ILE A 48 -1.204 -22.074 16.205 1.00 0.00 C ATOM 461 C ILE A 48 -0.746 -20.821 16.966 1.00 0.00 C ATOM 462 O ILE A 48 -0.621 -20.815 18.179 1.00 0.00 O ATOM 463 CB ILE A 48 -2.614 -22.406 16.630 1.00 0.00 C ATOM 464 CG1 ILE A 48 -3.285 -23.228 15.513 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.452 -21.102 16.913 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.718 -23.517 15.891 1.00 0.00 C ATOM 0 H ILE A 48 -0.770 -24.036 16.937 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.096 -21.785 15.159 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.577 -22.981 17.555 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.250 -22.679 14.572 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.743 -24.161 15.358 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.462 -21.377 17.217 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.977 -20.530 17.710 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.498 -20.495 16.009 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.193 -24.099 15.101 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.742 -24.083 16.822 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.256 -22.578 16.023 1.00 0.00 H new ATOM 478 N ILE A 49 -0.524 -19.805 16.179 1.00 0.00 N ATOM 479 CA ILE A 49 -0.207 -18.454 16.717 1.00 0.00 C ATOM 480 C ILE A 49 -1.340 -17.543 16.198 1.00 0.00 C ATOM 481 O ILE A 49 -2.069 -17.858 15.266 1.00 0.00 O ATOM 482 CB ILE A 49 1.163 -17.924 16.218 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.371 -18.754 16.726 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.419 -16.446 16.633 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.525 -20.030 15.899 1.00 0.00 C ATOM 0 H ILE A 49 -0.550 -19.857 15.161 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.139 -18.480 17.805 1.00 0.00 H new ATOM 0 HB ILE A 49 1.092 -18.010 15.134 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.282 -18.159 16.662 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.230 -19.008 17.776 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.391 -16.126 16.258 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.640 -15.810 16.212 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.405 -16.366 17.720 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.377 -20.602 16.267 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.620 -20.631 15.985 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.688 -19.768 14.854 1.00 0.00 H new ATOM 497 N VAL A 50 -1.391 -16.435 16.865 1.00 0.00 N ATOM 498 CA VAL A 50 -2.398 -15.381 16.615 1.00 0.00 C ATOM 499 C VAL A 50 -1.859 -14.508 15.477 1.00 0.00 C ATOM 500 O VAL A 50 -0.727 -14.063 15.493 1.00 0.00 O ATOM 501 CB VAL A 50 -2.567 -14.613 17.955 1.00 0.00 C ATOM 502 CG1 VAL A 50 -1.226 -13.975 18.418 1.00 0.00 C ATOM 503 CG2 VAL A 50 -3.600 -13.498 17.788 1.00 0.00 C ATOM 0 H VAL A 50 -0.738 -16.206 17.615 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.376 -15.753 16.309 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.896 -15.331 18.706 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.380 -13.446 19.358 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.481 -14.758 18.560 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.876 -13.274 17.660 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.714 -12.963 18.731 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.266 -12.805 17.016 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.558 -13.930 17.498 1.00 0.00 H new ATOM 513 N LEU A 51 -2.687 -14.285 14.500 1.00 0.00 N ATOM 514 CA LEU A 51 -2.286 -13.459 13.332 1.00 0.00 C ATOM 515 C LEU A 51 -3.415 -12.410 13.177 1.00 0.00 C ATOM 516 O LEU A 51 -4.489 -12.708 12.685 1.00 0.00 O ATOM 517 CB LEU A 51 -2.113 -14.499 12.175 1.00 0.00 C ATOM 518 CG LEU A 51 -0.659 -14.439 11.607 1.00 0.00 C ATOM 519 CD1 LEU A 51 -0.409 -15.613 10.620 1.00 0.00 C ATOM 520 CD2 LEU A 51 -0.367 -13.036 10.943 1.00 0.00 C ATOM 0 H LEU A 51 -3.640 -14.646 14.461 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.357 -12.891 13.387 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.326 -15.502 12.544 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.830 -14.292 11.381 1.00 0.00 H new ATOM 0 HG LEU A 51 0.041 -14.552 12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.609 -15.554 10.235 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.546 -16.561 11.140 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.114 -15.548 9.792 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.652 -13.022 10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.068 -12.867 10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.483 -12.249 11.689 1.00 0.00 H new ATOM 532 N PRO A 52 -3.193 -11.187 13.616 1.00 0.00 N ATOM 533 CA PRO A 52 -4.254 -10.136 13.532 1.00 0.00 C ATOM 534 C PRO A 52 -4.732 -9.851 12.092 1.00 0.00 C ATOM 535 O PRO A 52 -3.993 -9.413 11.234 1.00 0.00 O ATOM 536 CB PRO A 52 -3.616 -8.914 14.229 1.00 0.00 C ATOM 537 CG PRO A 52 -2.547 -9.567 15.154 1.00 0.00 C ATOM 538 CD PRO A 52 -1.950 -10.658 14.255 1.00 0.00 C ATOM 0 HA PRO A 52 -5.180 -10.447 14.016 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.166 -8.228 13.512 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.350 -8.344 14.798 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.793 -8.847 15.474 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.992 -9.984 16.057 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.246 -10.256 13.526 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.419 -11.421 14.824 1.00 0.00 H new ATOM 546 N VAL A 53 -5.989 -10.097 11.883 1.00 0.00 N ATOM 547 CA VAL A 53 -6.658 -9.936 10.562 1.00 0.00 C ATOM 548 C VAL A 53 -6.274 -8.776 9.718 1.00 0.00 C ATOM 549 O VAL A 53 -6.161 -7.636 10.135 1.00 0.00 O ATOM 550 CB VAL A 53 -8.159 -9.897 10.784 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.969 -9.099 9.720 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.622 -11.324 10.634 1.00 0.00 C ATOM 0 H VAL A 53 -6.618 -10.422 12.617 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.312 -10.797 9.990 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.327 -9.419 11.749 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.029 -9.132 9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.632 -8.063 9.708 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.814 -9.543 8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.701 -11.374 10.782 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.376 -11.683 9.635 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.125 -11.948 11.377 1.00 0.00 H new ATOM 562 N GLY A 54 -6.095 -9.199 8.503 1.00 0.00 N ATOM 563 CA GLY A 54 -5.677 -8.219 7.438 1.00 0.00 C ATOM 564 C GLY A 54 -4.281 -8.601 7.005 1.00 0.00 C ATOM 565 O GLY A 54 -3.945 -8.482 5.847 1.00 0.00 O ATOM 0 H GLY A 54 -6.215 -10.163 8.192 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.365 -8.252 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.695 -7.200 7.824 1.00 0.00 H new ATOM 569 N THR A 55 -3.517 -9.022 7.976 1.00 0.00 N ATOM 570 CA THR A 55 -2.158 -9.571 7.830 1.00 0.00 C ATOM 571 C THR A 55 -2.221 -10.756 6.859 1.00 0.00 C ATOM 572 O THR A 55 -2.071 -11.891 7.254 1.00 0.00 O ATOM 573 CB THR A 55 -1.817 -9.886 9.245 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.825 -8.639 9.927 1.00 0.00 O ATOM 575 CG2 THR A 55 -0.469 -10.296 9.398 1.00 0.00 C ATOM 0 H THR A 55 -3.824 -8.998 8.949 1.00 0.00 H new ATOM 0 HA THR A 55 -1.390 -8.932 7.395 1.00 0.00 H new ATOM 0 HB THR A 55 -2.506 -10.655 9.594 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.611 -8.590 10.510 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.272 -10.514 10.448 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.291 -11.191 8.802 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.194 -9.499 9.062 1.00 0.00 H new ATOM 583 N ILE A 56 -2.458 -10.464 5.609 1.00 0.00 N ATOM 584 CA ILE A 56 -2.565 -11.526 4.571 1.00 0.00 C ATOM 585 C ILE A 56 -1.258 -12.258 4.454 1.00 0.00 C ATOM 586 O ILE A 56 -0.225 -11.731 4.087 1.00 0.00 O ATOM 587 CB ILE A 56 -2.950 -10.886 3.216 1.00 0.00 C ATOM 588 CG1 ILE A 56 -4.416 -10.360 3.266 1.00 0.00 C ATOM 589 CG2 ILE A 56 -2.756 -11.858 2.012 1.00 0.00 C ATOM 590 CD1 ILE A 56 -5.430 -11.377 3.863 1.00 0.00 C ATOM 0 H ILE A 56 -2.584 -9.515 5.258 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.338 -12.240 4.857 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.271 -10.049 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.443 -9.445 3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.732 -10.097 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.042 -11.355 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.710 -12.159 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.380 -12.740 2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.428 -10.938 3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.433 -12.284 3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.140 -11.622 4.885 1.00 0.00 H new ATOM 602 N VAL A 57 -1.385 -13.499 4.779 1.00 0.00 N ATOM 603 CA VAL A 57 -0.191 -14.376 4.762 1.00 0.00 C ATOM 604 C VAL A 57 -0.097 -15.212 3.479 1.00 0.00 C ATOM 605 O VAL A 57 -0.794 -14.998 2.509 1.00 0.00 O ATOM 606 CB VAL A 57 -0.247 -15.254 6.063 1.00 0.00 C ATOM 607 CG1 VAL A 57 -0.029 -14.355 7.269 1.00 0.00 C ATOM 608 CG2 VAL A 57 -1.583 -16.039 6.202 1.00 0.00 C ATOM 0 H VAL A 57 -2.258 -13.948 5.056 1.00 0.00 H new ATOM 0 HA VAL A 57 0.720 -13.778 4.758 1.00 0.00 H new ATOM 0 HB VAL A 57 0.542 -16.004 6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.066 -14.953 8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.945 -13.872 7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.810 -13.595 7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.565 -16.628 7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.416 -15.337 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.705 -16.703 5.346 1.00 0.00 H new ATOM 618 N THR A 58 0.778 -16.159 3.516 1.00 0.00 N ATOM 619 CA THR A 58 1.121 -17.003 2.349 1.00 0.00 C ATOM 620 C THR A 58 0.283 -18.246 2.102 1.00 0.00 C ATOM 621 O THR A 58 -0.226 -18.864 3.010 1.00 0.00 O ATOM 622 CB THR A 58 2.615 -17.395 2.488 1.00 0.00 C ATOM 623 OG1 THR A 58 3.234 -16.702 3.564 1.00 0.00 O ATOM 624 CG2 THR A 58 3.503 -17.174 1.268 1.00 0.00 C ATOM 0 H THR A 58 1.302 -16.398 4.358 1.00 0.00 H new ATOM 0 HA THR A 58 0.901 -16.391 1.475 1.00 0.00 H new ATOM 0 HB THR A 58 2.549 -18.471 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.174 -16.971 3.628 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.521 -17.488 1.497 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.123 -17.759 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.500 -16.117 1.003 1.00 0.00 H new ATOM 632 N MET A 59 0.191 -18.591 0.851 1.00 0.00 N ATOM 633 CA MET A 59 -0.546 -19.809 0.394 1.00 0.00 C ATOM 634 C MET A 59 0.473 -20.971 0.340 1.00 0.00 C ATOM 635 O MET A 59 0.569 -21.727 -0.611 1.00 0.00 O ATOM 636 CB MET A 59 -1.146 -19.501 -1.000 1.00 0.00 C ATOM 637 CG MET A 59 -2.301 -18.497 -0.851 1.00 0.00 C ATOM 638 SD MET A 59 -3.651 -19.023 0.234 1.00 0.00 S ATOM 639 CE MET A 59 -4.475 -20.134 -0.939 1.00 0.00 C ATOM 0 H MET A 59 0.614 -18.057 0.091 1.00 0.00 H new ATOM 0 HA MET A 59 -1.359 -20.088 1.064 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.377 -19.093 -1.656 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.506 -20.419 -1.464 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.897 -17.558 -0.472 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.711 -18.291 -1.840 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.352 -20.576 -0.467 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.782 -19.570 -1.820 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.786 -20.925 -1.237 1.00 0.00 H new ATOM 649 N GLU A 60 1.208 -21.052 1.424 1.00 0.00 N ATOM 650 CA GLU A 60 2.293 -22.051 1.598 1.00 0.00 C ATOM 651 C GLU A 60 1.705 -23.423 2.028 1.00 0.00 C ATOM 652 O GLU A 60 0.506 -23.537 2.147 1.00 0.00 O ATOM 653 CB GLU A 60 3.232 -21.378 2.646 1.00 0.00 C ATOM 654 CG GLU A 60 2.660 -21.455 4.136 1.00 0.00 C ATOM 655 CD GLU A 60 3.612 -20.934 5.241 1.00 0.00 C ATOM 656 OE1 GLU A 60 4.814 -21.039 5.068 1.00 0.00 O ATOM 657 OE2 GLU A 60 3.098 -20.461 6.245 1.00 0.00 O ATOM 0 H GLU A 60 1.088 -20.434 2.227 1.00 0.00 H new ATOM 0 HA GLU A 60 2.846 -22.292 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.209 -21.860 2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.382 -20.333 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.732 -20.885 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.408 -22.492 4.357 1.00 0.00 H new ATOM 664 N TYR A 61 2.509 -24.443 2.243 1.00 0.00 N ATOM 665 CA TYR A 61 1.957 -25.771 2.716 1.00 0.00 C ATOM 666 C TYR A 61 2.746 -26.189 3.974 1.00 0.00 C ATOM 667 O TYR A 61 3.140 -27.316 4.220 1.00 0.00 O ATOM 668 CB TYR A 61 2.117 -26.873 1.645 1.00 0.00 C ATOM 669 CG TYR A 61 1.549 -28.205 2.180 1.00 0.00 C ATOM 670 CD1 TYR A 61 0.794 -28.358 3.340 1.00 0.00 C ATOM 671 CD2 TYR A 61 1.842 -29.309 1.448 1.00 0.00 C ATOM 672 CE1 TYR A 61 0.362 -29.605 3.739 1.00 0.00 C ATOM 673 CE2 TYR A 61 1.410 -30.561 1.843 1.00 0.00 C ATOM 674 CZ TYR A 61 0.668 -30.715 2.990 1.00 0.00 C ATOM 675 OH TYR A 61 0.231 -31.958 3.387 1.00 0.00 O ATOM 0 H TYR A 61 3.520 -24.419 2.114 1.00 0.00 H new ATOM 0 HA TYR A 61 0.893 -25.655 2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.596 -26.585 0.732 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.169 -26.993 1.387 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.544 -27.491 3.933 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.422 -29.208 0.542 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.219 -29.709 4.643 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.657 -31.426 1.245 1.00 0.00 H new ATOM 0 HH TYR A 61 0.534 -32.632 2.744 1.00 0.00 H new ATOM 685 N ARG A 62 2.930 -25.166 4.742 1.00 0.00 N ATOM 686 CA ARG A 62 3.624 -25.251 6.040 1.00 0.00 C ATOM 687 C ARG A 62 2.498 -25.578 6.973 1.00 0.00 C ATOM 688 O ARG A 62 1.936 -24.799 7.723 1.00 0.00 O ATOM 689 CB ARG A 62 4.259 -23.911 6.331 1.00 0.00 C ATOM 690 CG ARG A 62 5.643 -23.831 5.691 1.00 0.00 C ATOM 691 CD ARG A 62 5.576 -23.937 4.179 1.00 0.00 C ATOM 692 NE ARG A 62 7.007 -23.783 3.789 1.00 0.00 N ATOM 693 CZ ARG A 62 7.475 -22.773 3.150 1.00 0.00 C ATOM 694 NH1 ARG A 62 7.076 -21.597 3.457 1.00 0.00 N ATOM 695 NH2 ARG A 62 8.333 -23.009 2.237 1.00 0.00 N ATOM 0 H ARG A 62 2.610 -24.226 4.508 1.00 0.00 H new ATOM 0 HA ARG A 62 4.431 -25.981 6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.627 -23.110 5.948 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.340 -23.765 7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.117 -22.889 5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.271 -24.631 6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.167 -24.894 3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.949 -23.159 3.744 1.00 0.00 H new ATOM 0 HE ARG A 62 7.655 -24.527 4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.392 -21.469 4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.441 -20.787 2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.619 -23.968 2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.733 -22.238 1.702 1.00 0.00 H new ATOM 709 N ILE A 63 2.220 -26.836 6.834 1.00 0.00 N ATOM 710 CA ILE A 63 1.132 -27.481 7.608 1.00 0.00 C ATOM 711 C ILE A 63 1.338 -27.605 9.139 1.00 0.00 C ATOM 712 O ILE A 63 0.747 -28.404 9.843 1.00 0.00 O ATOM 713 CB ILE A 63 0.951 -28.836 6.875 1.00 0.00 C ATOM 714 CG1 ILE A 63 -0.357 -29.552 7.227 1.00 0.00 C ATOM 715 CG2 ILE A 63 2.126 -29.744 7.271 1.00 0.00 C ATOM 716 CD1 ILE A 63 -1.565 -28.843 6.581 1.00 0.00 C ATOM 0 H ILE A 63 2.715 -27.462 6.199 1.00 0.00 H new ATOM 0 HA ILE A 63 0.235 -26.861 7.616 1.00 0.00 H new ATOM 0 HB ILE A 63 0.920 -28.630 5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.313 -30.586 6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.482 -29.578 8.310 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.027 -30.707 6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.064 -29.275 6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.122 -29.894 8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.481 -29.371 6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.620 -27.816 6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.448 -28.840 5.497 1.00 0.00 H new ATOM 728 N ASP A 64 2.200 -26.733 9.545 1.00 0.00 N ATOM 729 CA ASP A 64 2.583 -26.505 10.942 1.00 0.00 C ATOM 730 C ASP A 64 1.755 -25.338 11.503 1.00 0.00 C ATOM 731 O ASP A 64 1.765 -25.144 12.698 1.00 0.00 O ATOM 732 CB ASP A 64 4.092 -26.161 10.965 1.00 0.00 C ATOM 733 CG ASP A 64 4.415 -25.074 9.911 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.675 -25.521 8.813 1.00 0.00 O ATOM 735 OD2 ASP A 64 4.380 -23.891 10.232 1.00 0.00 O ATOM 0 H ASP A 64 2.693 -26.118 8.898 1.00 0.00 H new ATOM 0 HA ASP A 64 2.396 -27.387 11.554 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.376 -25.810 11.957 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.679 -27.057 10.764 1.00 0.00 H new ATOM 740 N ARG A 65 1.071 -24.613 10.656 1.00 0.00 N ATOM 741 CA ARG A 65 0.368 -23.376 11.140 1.00 0.00 C ATOM 742 C ARG A 65 -1.094 -22.961 10.923 1.00 0.00 C ATOM 743 O ARG A 65 -1.361 -22.241 9.983 1.00 0.00 O ATOM 744 CB ARG A 65 1.285 -22.283 10.649 1.00 0.00 C ATOM 745 CG ARG A 65 1.951 -21.582 11.859 1.00 0.00 C ATOM 746 CD ARG A 65 2.891 -20.497 11.363 1.00 0.00 C ATOM 747 NE ARG A 65 3.842 -21.192 10.429 1.00 0.00 N ATOM 748 CZ ARG A 65 4.010 -20.823 9.222 1.00 0.00 C ATOM 749 NH1 ARG A 65 4.098 -19.599 8.873 1.00 0.00 N ATOM 750 NH2 ARG A 65 4.078 -21.779 8.405 1.00 0.00 N ATOM 0 H ARG A 65 0.966 -24.816 9.662 1.00 0.00 H new ATOM 0 HA ARG A 65 0.204 -23.605 12.193 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.048 -22.702 9.993 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.722 -21.559 10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.189 -21.149 12.507 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.501 -22.309 12.456 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.343 -19.707 10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.424 -20.030 12.191 1.00 0.00 H new ATOM 0 HE ARG A 65 4.374 -21.991 10.776 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.034 -18.862 9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.233 -19.357 7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.999 -22.740 8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.212 -21.592 7.411 1.00 0.00 H new ATOM 764 N VAL A 66 -2.045 -23.333 11.737 1.00 0.00 N ATOM 765 CA VAL A 66 -3.417 -22.833 11.429 1.00 0.00 C ATOM 766 C VAL A 66 -3.481 -21.368 11.901 1.00 0.00 C ATOM 767 O VAL A 66 -3.917 -21.020 12.977 1.00 0.00 O ATOM 768 CB VAL A 66 -4.436 -23.691 12.142 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.693 -23.827 11.272 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.036 -25.092 12.244 1.00 0.00 C ATOM 0 H VAL A 66 -1.945 -23.929 12.559 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.637 -22.885 10.363 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.565 -23.211 13.112 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.427 -24.446 11.788 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.116 -22.840 11.088 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.429 -24.292 10.322 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.810 -25.654 12.766 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.899 -25.505 11.245 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.100 -25.164 12.798 1.00 0.00 H new ATOM 780 N ARG A 67 -3.001 -20.559 10.997 1.00 0.00 N ATOM 781 CA ARG A 67 -2.895 -19.074 11.188 1.00 0.00 C ATOM 782 C ARG A 67 -4.252 -18.461 11.450 1.00 0.00 C ATOM 783 O ARG A 67 -5.010 -18.149 10.553 1.00 0.00 O ATOM 784 CB ARG A 67 -2.245 -18.428 9.943 1.00 0.00 C ATOM 785 CG ARG A 67 -2.963 -18.940 8.716 1.00 0.00 C ATOM 786 CD ARG A 67 -1.975 -19.345 7.639 1.00 0.00 C ATOM 787 NE ARG A 67 -1.014 -20.278 8.310 1.00 0.00 N ATOM 788 CZ ARG A 67 0.137 -20.579 7.833 1.00 0.00 C ATOM 789 NH1 ARG A 67 0.927 -19.609 7.676 1.00 0.00 N ATOM 790 NH2 ARG A 67 0.474 -21.778 7.542 1.00 0.00 N ATOM 0 H ARG A 67 -2.661 -20.878 10.090 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.267 -18.884 12.058 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.315 -17.342 9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.185 -18.678 9.895 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.585 -19.794 8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.630 -18.168 8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.480 -19.834 6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.459 -18.475 7.232 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.292 -20.698 9.197 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.631 -18.665 7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.862 -19.768 7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.185 -22.543 7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.402 -21.970 7.164 1.00 0.00 H new ATOM 804 N LEU A 68 -4.557 -18.269 12.695 1.00 0.00 N ATOM 805 CA LEU A 68 -5.917 -17.746 12.983 1.00 0.00 C ATOM 806 C LEU A 68 -6.026 -16.261 12.623 1.00 0.00 C ATOM 807 O LEU A 68 -5.547 -15.442 13.385 1.00 0.00 O ATOM 808 CB LEU A 68 -6.230 -17.950 14.489 1.00 0.00 C ATOM 809 CG LEU A 68 -5.996 -19.405 14.952 1.00 0.00 C ATOM 810 CD1 LEU A 68 -6.249 -19.502 16.444 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.945 -20.354 14.282 1.00 0.00 C ATOM 0 H LEU A 68 -3.954 -18.442 13.499 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.639 -18.291 12.375 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.606 -17.280 15.080 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.267 -17.673 14.682 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.970 -19.670 14.696 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.085 -20.528 16.775 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.567 -18.837 16.973 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.278 -19.212 16.658 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.752 -21.368 14.631 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.970 -20.075 14.525 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.803 -20.309 13.202 1.00 0.00 H new ATOM 823 N PHE A 69 -6.598 -15.944 11.481 1.00 0.00 N ATOM 824 CA PHE A 69 -6.836 -14.494 11.253 1.00 0.00 C ATOM 825 C PHE A 69 -8.029 -14.081 12.139 1.00 0.00 C ATOM 826 O PHE A 69 -9.224 -14.221 11.899 1.00 0.00 O ATOM 827 CB PHE A 69 -7.011 -14.268 9.643 1.00 0.00 C ATOM 828 CG PHE A 69 -5.559 -14.255 9.296 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.909 -13.169 9.792 1.00 0.00 C ATOM 830 CD2 PHE A 69 -4.863 -15.249 8.657 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.580 -13.060 9.680 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.542 -15.141 8.544 1.00 0.00 C ATOM 833 CZ PHE A 69 -2.878 -14.071 9.034 1.00 0.00 C ATOM 0 H PHE A 69 -6.892 -16.585 10.744 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.012 -13.843 11.547 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.561 -15.072 9.155 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.520 -13.337 9.394 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.471 -12.387 10.281 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.380 -16.106 8.252 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.062 -12.202 10.084 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.988 -15.926 8.050 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.806 -14.002 8.924 1.00 0.00 H new ATOM 843 N VAL A 70 -7.537 -13.523 13.219 1.00 0.00 N ATOM 844 CA VAL A 70 -8.475 -13.094 14.321 1.00 0.00 C ATOM 845 C VAL A 70 -8.664 -11.607 14.191 1.00 0.00 C ATOM 846 O VAL A 70 -7.883 -10.971 13.521 1.00 0.00 O ATOM 847 CB VAL A 70 -7.904 -13.385 15.744 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.500 -14.829 15.916 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.669 -12.546 16.087 1.00 0.00 C ATOM 0 H VAL A 70 -6.547 -13.346 13.390 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.405 -13.653 14.218 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.727 -13.126 16.411 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.109 -14.980 16.922 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.368 -15.470 15.764 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.730 -15.081 15.186 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.324 -12.799 17.090 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.877 -12.754 15.368 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.926 -11.487 16.048 1.00 0.00 H new ATOM 859 N ASP A 71 -9.632 -11.029 14.822 1.00 0.00 N ATOM 860 CA ASP A 71 -9.808 -9.588 14.554 1.00 0.00 C ATOM 861 C ASP A 71 -8.974 -8.826 15.547 1.00 0.00 C ATOM 862 O ASP A 71 -7.855 -9.162 15.889 1.00 0.00 O ATOM 863 CB ASP A 71 -11.308 -9.254 14.674 1.00 0.00 C ATOM 864 CG ASP A 71 -11.780 -9.261 16.110 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.399 -10.173 16.834 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.489 -8.305 16.362 1.00 0.00 O ATOM 0 H ASP A 71 -10.280 -11.463 15.480 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.482 -9.312 13.551 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.497 -8.274 14.236 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.887 -9.977 14.099 1.00 0.00 H new ATOM 871 N LYS A 72 -9.588 -7.777 15.958 1.00 0.00 N ATOM 872 CA LYS A 72 -8.972 -6.898 16.983 1.00 0.00 C ATOM 873 C LYS A 72 -9.432 -7.194 18.410 1.00 0.00 C ATOM 874 O LYS A 72 -9.138 -6.477 19.342 1.00 0.00 O ATOM 875 CB LYS A 72 -9.260 -5.461 16.527 1.00 0.00 C ATOM 876 CG LYS A 72 -8.171 -4.990 15.485 1.00 0.00 C ATOM 877 CD LYS A 72 -7.863 -6.063 14.380 1.00 0.00 C ATOM 878 CE LYS A 72 -6.799 -5.578 13.379 1.00 0.00 C ATOM 879 NZ LYS A 72 -6.577 -6.686 12.390 1.00 0.00 N ATOM 0 H LYS A 72 -10.506 -7.477 15.629 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.899 -7.077 17.047 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.251 -5.406 16.077 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.263 -4.792 17.388 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.510 -4.072 15.005 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.250 -4.751 16.016 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.521 -6.983 14.854 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.781 -6.304 13.844 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.133 -4.672 12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.871 -5.332 13.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.487 -6.286 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.706 -7.199 12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.384 -7.342 12.416 1.00 0.00 H new ATOM 893 N LEU A 73 -10.131 -8.274 18.483 1.00 0.00 N ATOM 894 CA LEU A 73 -10.724 -8.815 19.744 1.00 0.00 C ATOM 895 C LEU A 73 -10.494 -10.357 19.736 1.00 0.00 C ATOM 896 O LEU A 73 -11.356 -11.118 20.128 1.00 0.00 O ATOM 897 CB LEU A 73 -12.192 -8.480 19.684 1.00 0.00 C ATOM 898 CG LEU A 73 -12.512 -7.005 19.357 1.00 0.00 C ATOM 899 CD1 LEU A 73 -14.026 -6.914 19.131 1.00 0.00 C ATOM 900 CD2 LEU A 73 -12.145 -6.039 20.505 1.00 0.00 C ATOM 0 H LEU A 73 -10.335 -8.851 17.667 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.285 -8.401 20.652 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.663 -9.114 18.933 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.646 -8.731 20.643 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.926 -6.713 18.485 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.298 -5.885 18.896 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.310 -7.562 18.302 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.548 -7.230 20.034 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.393 -5.018 20.215 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.705 -6.308 21.400 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.077 -6.108 20.711 1.00 0.00 H new ATOM 912 N ASP A 74 -9.333 -10.729 19.272 1.00 0.00 N ATOM 913 CA ASP A 74 -8.878 -12.106 19.121 1.00 0.00 C ATOM 914 C ASP A 74 -9.913 -13.200 18.752 1.00 0.00 C ATOM 915 O ASP A 74 -9.730 -14.357 19.076 1.00 0.00 O ATOM 916 CB ASP A 74 -8.109 -12.303 20.453 1.00 0.00 C ATOM 917 CG ASP A 74 -9.019 -12.471 21.679 1.00 0.00 C ATOM 918 OD1 ASP A 74 -9.864 -13.346 21.641 1.00 0.00 O ATOM 919 OD2 ASP A 74 -8.811 -11.710 22.604 1.00 0.00 O ATOM 0 H ASP A 74 -8.633 -10.052 18.970 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.278 -12.245 18.222 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.469 -13.181 20.365 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.455 -11.446 20.613 1.00 0.00 H new ATOM 924 N ASN A 75 -10.947 -12.805 18.063 1.00 0.00 N ATOM 925 CA ASN A 75 -12.013 -13.745 17.604 1.00 0.00 C ATOM 926 C ASN A 75 -11.804 -13.967 16.121 1.00 0.00 C ATOM 927 O ASN A 75 -11.334 -13.081 15.436 1.00 0.00 O ATOM 928 CB ASN A 75 -13.380 -13.109 17.878 1.00 0.00 C ATOM 929 CG ASN A 75 -13.678 -13.221 19.333 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.736 -14.278 19.918 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.881 -12.123 19.951 1.00 0.00 N ATOM 0 H ASN A 75 -11.103 -11.835 17.789 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.970 -14.700 18.129 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.378 -12.063 17.573 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.153 -13.609 17.295 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.095 -12.131 20.948 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.830 -11.237 19.448 1.00 0.00 H new ATOM 938 N ILE A 76 -12.151 -15.140 15.668 1.00 0.00 N ATOM 939 CA ILE A 76 -11.988 -15.455 14.246 1.00 0.00 C ATOM 940 C ILE A 76 -13.031 -14.780 13.423 1.00 0.00 C ATOM 941 O ILE A 76 -14.236 -14.939 13.509 1.00 0.00 O ATOM 942 CB ILE A 76 -12.005 -16.946 14.108 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.779 -17.219 15.023 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.766 -17.281 12.572 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.381 -18.585 14.986 1.00 0.00 C ATOM 0 H ILE A 76 -12.542 -15.891 16.237 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.038 -15.076 13.870 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.895 -17.516 14.375 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.946 -16.590 14.710 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.022 -16.940 16.048 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.772 -18.362 12.430 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.559 -16.832 11.974 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.803 -16.879 12.257 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.521 -18.731 15.640 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.205 -19.213 15.324 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.112 -18.858 13.966 1.00 0.00 H new ATOM 957 N ALA A 77 -12.330 -14.055 12.627 1.00 0.00 N ATOM 958 CA ALA A 77 -12.809 -13.080 11.682 1.00 0.00 C ATOM 959 C ALA A 77 -12.707 -13.698 10.276 1.00 0.00 C ATOM 960 O ALA A 77 -13.650 -13.753 9.515 1.00 0.00 O ATOM 961 CB ALA A 77 -11.856 -11.976 12.175 1.00 0.00 C ATOM 0 H ALA A 77 -11.313 -14.127 12.610 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.834 -12.716 11.618 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.018 -11.069 11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.051 -11.771 13.228 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.824 -12.306 12.054 1.00 0.00 H new ATOM 967 N GLN A 78 -11.517 -14.152 10.037 1.00 0.00 N ATOM 968 CA GLN A 78 -11.094 -14.761 8.742 1.00 0.00 C ATOM 969 C GLN A 78 -10.648 -16.192 9.052 1.00 0.00 C ATOM 970 O GLN A 78 -9.465 -16.400 9.248 1.00 0.00 O ATOM 971 CB GLN A 78 -9.955 -13.870 8.179 1.00 0.00 C ATOM 972 CG GLN A 78 -10.511 -12.691 7.334 1.00 0.00 C ATOM 973 CD GLN A 78 -11.435 -11.769 8.123 1.00 0.00 C ATOM 974 OE1 GLN A 78 -11.046 -11.029 8.995 1.00 0.00 O ATOM 975 NE2 GLN A 78 -12.695 -11.778 7.848 1.00 0.00 N ATOM 0 H GLN A 78 -10.769 -14.125 10.730 1.00 0.00 H new ATOM 0 HA GLN A 78 -11.882 -14.811 7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.359 -13.478 9.003 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.289 -14.476 7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.677 -12.109 6.941 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.053 -13.091 6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -13.053 -12.392 7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -13.333 -11.171 8.362 1.00 0.00 H new ATOM 984 N VAL A 79 -11.551 -17.143 9.105 1.00 0.00 N ATOM 985 CA VAL A 79 -11.072 -18.522 9.461 1.00 0.00 C ATOM 986 C VAL A 79 -9.734 -18.972 8.783 1.00 0.00 C ATOM 987 O VAL A 79 -9.436 -18.604 7.661 1.00 0.00 O ATOM 988 CB VAL A 79 -12.237 -19.503 9.169 1.00 0.00 C ATOM 989 CG1 VAL A 79 -11.821 -20.670 8.362 1.00 0.00 C ATOM 990 CG2 VAL A 79 -12.627 -20.086 10.603 1.00 0.00 C ATOM 0 H VAL A 79 -12.550 -17.038 8.928 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.806 -18.519 10.518 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.026 -18.981 8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.680 -21.319 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.428 -20.329 7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.048 -21.224 8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.449 -20.794 10.497 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.765 -20.593 11.037 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.934 -19.269 11.256 1.00 0.00 H new ATOM 1000 N PRO A 80 -8.975 -19.780 9.495 1.00 0.00 N ATOM 1001 CA PRO A 80 -7.624 -20.247 9.083 1.00 0.00 C ATOM 1002 C PRO A 80 -7.488 -21.536 8.243 1.00 0.00 C ATOM 1003 O PRO A 80 -8.436 -22.137 7.771 1.00 0.00 O ATOM 1004 CB PRO A 80 -6.939 -20.332 10.408 1.00 0.00 C ATOM 1005 CG PRO A 80 -8.007 -21.163 11.071 1.00 0.00 C ATOM 1006 CD PRO A 80 -9.288 -20.379 10.821 1.00 0.00 C ATOM 0 HA PRO A 80 -7.196 -19.564 8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.968 -20.824 10.365 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.785 -19.363 10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.060 -22.163 10.640 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.814 -21.285 12.137 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.169 -21.020 10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.470 -19.624 11.586 1.00 0.00 H new ATOM 1014 N ARG A 81 -6.234 -21.878 8.153 1.00 0.00 N ATOM 1015 CA ARG A 81 -5.787 -23.062 7.402 1.00 0.00 C ATOM 1016 C ARG A 81 -4.441 -23.445 8.006 1.00 0.00 C ATOM 1017 O ARG A 81 -3.620 -22.591 8.276 1.00 0.00 O ATOM 1018 CB ARG A 81 -5.710 -22.677 5.880 1.00 0.00 C ATOM 1019 CG ARG A 81 -4.320 -22.919 5.265 1.00 0.00 C ATOM 1020 CD ARG A 81 -4.375 -22.558 3.757 1.00 0.00 C ATOM 1021 NE ARG A 81 -5.056 -23.614 2.897 1.00 0.00 N ATOM 1022 CZ ARG A 81 -5.344 -24.803 3.272 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -4.419 -25.637 3.486 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -6.559 -25.128 3.414 1.00 0.00 N ATOM 0 H ARG A 81 -5.476 -21.356 8.592 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.460 -23.917 7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.451 -23.255 5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.974 -21.626 5.764 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.571 -22.311 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.026 -23.961 5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.902 -21.611 3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.359 -22.405 3.392 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.303 -23.352 1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.445 -25.362 3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.646 -26.585 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.294 -24.445 3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.803 -26.072 3.712 1.00 0.00 H new ATOM 1038 N VAL A 82 -4.259 -24.711 8.219 1.00 0.00 N ATOM 1039 CA VAL A 82 -2.995 -25.285 8.745 1.00 0.00 C ATOM 1040 C VAL A 82 -1.819 -24.827 7.875 1.00 0.00 C ATOM 1041 O VAL A 82 -0.903 -24.119 8.234 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.096 -26.833 8.693 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -1.854 -27.380 9.166 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.157 -27.470 9.490 1.00 0.00 C ATOM 0 H VAL A 82 -4.978 -25.412 8.039 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.835 -24.950 9.770 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.336 -27.045 7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.902 -28.469 9.138 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.039 -27.036 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.678 -27.050 10.190 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.111 -28.551 9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.018 -27.225 10.543 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.129 -27.106 9.158 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.996 -25.309 6.690 1.00 0.00 N ATOM 1055 CA GLY A 83 -1.050 -25.204 5.569 1.00 0.00 C ATOM 1056 C GLY A 83 -1.733 -25.898 4.394 1.00 0.00 C ATOM 1057 O GLY A 83 -2.432 -26.874 4.609 1.00 0.00 O ATOM 1058 OXT GLY A 83 -1.529 -25.408 3.309 1.00 0.00 O ATOM 0 H GLY A 83 -2.843 -25.819 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.831 -24.162 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.101 -25.683 5.810 1.00 0.00 H new TER 1062 GLY A 83