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+ 157:sc= 1.41 (180deg=0.46) USER MOD Single : A 22 THR OG1 : rot 7:sc= 1.07 USER MOD Single : A 30 LYS NZ :NH3+ -125:sc= 2.63 (180deg=-1.24) USER MOD Single : A 31 SER OG : rot 63:sc= 0.212 USER MOD Single : A 36 LYS NZ :NH3+ -129:sc= -3.42! (180deg=-7.13!) USER MOD Single : A 37 LYS NZ :NH3+ 137:sc= -0.501 (180deg=-3.13!) USER MOD Single : A 41 GLN : amide:sc= -1.64 K(o=-1.6,f=-5.5!) USER MOD Single : A 43 LYS NZ :NH3+ -130:sc= -0.909! (180deg=-4.92!) USER MOD Single : A 47 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 55 THR OG1 : rot 65:sc= -1.91! USER MOD Single : A 58 THR OG1 : rot -135:sc= 1.2 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.835 USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= 1.19 (180deg=-0.239) USER MOD Single : A 75 ASN : amide:sc= -4! K(o=-4!,f=-1.5) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 CA LEU A 20 -7.333 -34.692 6.156 1.00 0.00 C ATOM 2 C LEU A 20 -8.285 -33.463 6.159 1.00 0.00 C ATOM 3 O LEU A 20 -9.266 -33.424 5.443 1.00 0.00 O ATOM 4 CB LEU A 20 -7.061 -35.219 7.601 1.00 0.00 C ATOM 5 CG LEU A 20 -8.331 -35.820 8.255 1.00 0.00 C ATOM 6 CD1 LEU A 20 -8.601 -37.210 7.660 1.00 0.00 C ATOM 7 CD2 LEU A 20 -8.103 -35.973 9.769 1.00 0.00 C ATOM 0 HB2 LEU A 20 -6.278 -35.977 7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.688 -34.402 8.219 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.178 -35.160 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.494 -37.635 8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.752 -37.122 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.749 -37.861 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.995 -36.396 10.230 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.255 -36.636 9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.896 -34.996 10.206 1.00 0.00 H new ATOM 19 N LYS A 21 -7.962 -32.492 6.975 1.00 0.00 N ATOM 20 CA LYS A 21 -8.731 -31.228 7.152 1.00 0.00 C ATOM 21 C LYS A 21 -7.743 -30.058 7.289 1.00 0.00 C ATOM 22 O LYS A 21 -6.958 -30.030 8.221 1.00 0.00 O ATOM 23 CB LYS A 21 -9.590 -31.410 8.423 1.00 0.00 C ATOM 24 CG LYS A 21 -10.292 -30.085 8.829 1.00 0.00 C ATOM 25 CD LYS A 21 -11.146 -30.257 10.108 1.00 0.00 C ATOM 26 CE LYS A 21 -11.757 -28.890 10.439 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.449 -28.961 11.737 1.00 0.00 N ATOM 0 H LYS A 21 -7.133 -32.535 7.567 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.377 -31.008 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.340 -32.182 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.960 -31.756 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.542 -29.312 8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.927 -29.744 8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.929 -30.999 9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.531 -30.613 10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.977 -28.130 10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.457 -28.594 9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.520 -28.007 12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.404 -29.351 11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.913 -29.575 12.383 1.00 0.00 H new ATOM 41 N THR A 22 -7.786 -29.117 6.389 1.00 0.00 N ATOM 42 CA THR A 22 -6.880 -27.929 6.548 1.00 0.00 C ATOM 43 C THR A 22 -7.730 -26.679 6.805 1.00 0.00 C ATOM 44 O THR A 22 -7.283 -25.570 6.602 1.00 0.00 O ATOM 45 CB THR A 22 -6.003 -27.728 5.261 1.00 0.00 C ATOM 46 OG1 THR A 22 -6.816 -27.669 4.090 1.00 0.00 O ATOM 47 CG2 THR A 22 -5.138 -28.951 5.031 1.00 0.00 C ATOM 0 H THR A 22 -8.390 -29.109 5.567 1.00 0.00 H new ATOM 0 HA THR A 22 -6.212 -28.099 7.393 1.00 0.00 H new ATOM 0 HB THR A 22 -5.432 -26.813 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.761 -27.658 4.348 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.532 -28.805 4.137 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.485 -29.102 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.774 -29.827 4.900 1.00 0.00 H new ATOM 55 N GLU A 23 -8.935 -26.894 7.256 1.00 0.00 N ATOM 56 CA GLU A 23 -9.861 -25.722 7.530 1.00 0.00 C ATOM 57 C GLU A 23 -10.821 -25.811 8.738 1.00 0.00 C ATOM 58 O GLU A 23 -11.499 -26.794 8.912 1.00 0.00 O ATOM 59 CB GLU A 23 -10.665 -25.494 6.241 1.00 0.00 C ATOM 60 CG GLU A 23 -11.438 -26.803 5.802 1.00 0.00 C ATOM 61 CD GLU A 23 -10.462 -27.928 5.415 1.00 0.00 C ATOM 62 OE1 GLU A 23 -9.563 -27.669 4.641 1.00 0.00 O ATOM 63 OE2 GLU A 23 -10.634 -29.017 5.917 1.00 0.00 O ATOM 0 H GLU A 23 -9.329 -27.815 7.450 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.212 -24.895 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.377 -24.683 6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.993 -25.182 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.079 -27.140 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.089 -26.577 4.957 1.00 0.00 H new ATOM 70 N TRP A 24 -10.884 -24.785 9.541 1.00 0.00 N ATOM 71 CA TRP A 24 -11.757 -24.758 10.765 1.00 0.00 C ATOM 72 C TRP A 24 -12.826 -23.681 10.798 1.00 0.00 C ATOM 73 O TRP A 24 -12.799 -22.765 11.598 1.00 0.00 O ATOM 74 CB TRP A 24 -10.826 -24.608 11.925 1.00 0.00 C ATOM 75 CG TRP A 24 -10.165 -25.876 12.236 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.686 -26.645 13.164 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.069 -26.395 11.718 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.841 -27.664 13.182 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.826 -27.590 12.333 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.243 -25.904 10.741 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.728 -28.308 11.966 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.146 -26.616 10.367 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.886 -27.819 10.978 1.00 0.00 C ATOM 0 H TRP A 24 -10.348 -23.929 9.399 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.338 -25.680 10.784 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.077 -23.849 11.698 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.379 -24.259 12.797 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.574 -26.487 13.759 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.964 -28.458 13.811 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.462 -24.957 10.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.514 -29.254 12.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.487 -26.240 9.599 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.017 -28.390 10.686 1.00 0.00 H new ATOM 94 N PRO A 25 -13.783 -23.822 9.925 1.00 0.00 N ATOM 95 CA PRO A 25 -14.858 -22.809 9.805 1.00 0.00 C ATOM 96 C PRO A 25 -15.653 -22.703 11.103 1.00 0.00 C ATOM 97 O PRO A 25 -16.052 -21.624 11.491 1.00 0.00 O ATOM 98 CB PRO A 25 -15.594 -23.316 8.579 1.00 0.00 C ATOM 99 CG PRO A 25 -15.425 -24.840 8.631 1.00 0.00 C ATOM 100 CD PRO A 25 -13.951 -24.980 8.999 1.00 0.00 C ATOM 0 HA PRO A 25 -14.551 -21.772 9.670 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.646 -23.033 8.603 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.172 -22.901 7.663 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.077 -25.298 9.375 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.654 -25.309 7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.735 -25.932 9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.299 -24.911 8.128 1.00 0.00 H new ATOM 108 N GLU A 26 -15.841 -23.821 11.753 1.00 0.00 N ATOM 109 CA GLU A 26 -16.604 -23.871 13.044 1.00 0.00 C ATOM 110 C GLU A 26 -16.096 -22.810 14.032 1.00 0.00 C ATOM 111 O GLU A 26 -16.795 -22.341 14.907 1.00 0.00 O ATOM 112 CB GLU A 26 -16.450 -25.282 13.671 1.00 0.00 C ATOM 113 CG GLU A 26 -14.932 -25.603 14.028 1.00 0.00 C ATOM 114 CD GLU A 26 -14.263 -26.513 12.998 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.426 -26.191 11.839 1.00 0.00 O ATOM 116 OE2 GLU A 26 -13.623 -27.465 13.395 1.00 0.00 O ATOM 0 H GLU A 26 -15.490 -24.726 11.438 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.654 -23.664 12.835 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.058 -25.348 14.573 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.827 -26.032 12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.374 -24.669 14.098 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.886 -26.076 15.009 1.00 0.00 H new ATOM 123 N LEU A 27 -14.867 -22.438 13.843 1.00 0.00 N ATOM 124 CA LEU A 27 -14.208 -21.472 14.746 1.00 0.00 C ATOM 125 C LEU A 27 -14.664 -20.030 14.465 1.00 0.00 C ATOM 126 O LEU A 27 -14.788 -19.261 15.404 1.00 0.00 O ATOM 127 CB LEU A 27 -12.689 -21.682 14.540 1.00 0.00 C ATOM 128 CG LEU A 27 -12.222 -23.091 14.891 1.00 0.00 C ATOM 129 CD1 LEU A 27 -10.701 -23.121 14.809 1.00 0.00 C ATOM 130 CD2 LEU A 27 -12.662 -23.497 16.301 1.00 0.00 C ATOM 0 H LEU A 27 -14.279 -22.773 13.080 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.477 -21.638 15.789 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.438 -21.472 13.500 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.144 -20.963 15.151 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.668 -23.796 14.189 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.343 -24.120 15.056 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.386 -22.863 13.798 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.284 -22.402 15.514 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.311 -24.506 16.515 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.239 -22.804 17.028 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.750 -23.470 16.365 1.00 0.00 H new ATOM 142 N VAL A 28 -14.935 -19.694 13.232 1.00 0.00 N ATOM 143 CA VAL A 28 -15.342 -18.282 12.885 1.00 0.00 C ATOM 144 C VAL A 28 -16.411 -17.752 13.881 1.00 0.00 C ATOM 145 O VAL A 28 -17.355 -18.441 14.232 1.00 0.00 O ATOM 146 CB VAL A 28 -15.864 -18.326 11.419 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.288 -16.918 10.935 1.00 0.00 C ATOM 148 CG2 VAL A 28 -14.741 -18.835 10.466 1.00 0.00 C ATOM 0 H VAL A 28 -14.894 -20.334 12.439 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.504 -17.590 12.964 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.723 -18.997 11.400 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.648 -16.979 9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.083 -16.537 11.576 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.432 -16.245 10.979 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.116 -18.862 9.443 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -13.885 -18.163 10.521 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.435 -19.837 10.767 1.00 0.00 H new ATOM 158 N GLY A 29 -16.232 -16.531 14.331 1.00 0.00 N ATOM 159 CA GLY A 29 -17.174 -15.947 15.361 1.00 0.00 C ATOM 160 C GLY A 29 -16.588 -16.015 16.792 1.00 0.00 C ATOM 161 O GLY A 29 -17.075 -15.369 17.696 1.00 0.00 O ATOM 0 H GLY A 29 -15.479 -15.910 14.035 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.389 -14.909 15.107 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.121 -16.486 15.332 1.00 0.00 H new ATOM 165 N LYS A 30 -15.564 -16.812 16.973 1.00 0.00 N ATOM 166 CA LYS A 30 -14.907 -16.995 18.322 1.00 0.00 C ATOM 167 C LYS A 30 -13.428 -16.605 18.397 1.00 0.00 C ATOM 168 O LYS A 30 -12.892 -16.258 17.377 1.00 0.00 O ATOM 169 CB LYS A 30 -15.054 -18.443 18.659 1.00 0.00 C ATOM 170 CG LYS A 30 -16.552 -18.711 18.988 1.00 0.00 C ATOM 171 CD LYS A 30 -16.918 -20.196 18.766 1.00 0.00 C ATOM 172 CE LYS A 30 -17.927 -20.334 17.624 1.00 0.00 C ATOM 173 NZ LYS A 30 -17.207 -20.084 16.345 1.00 0.00 N ATOM 0 H LYS A 30 -15.139 -17.362 16.226 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.398 -16.321 19.024 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.731 -19.063 17.823 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.425 -18.702 19.510 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.754 -18.435 20.023 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.183 -18.081 18.361 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.019 -20.768 18.536 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.336 -20.614 19.681 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.370 -21.330 17.624 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.743 -19.622 17.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.688 -19.327 15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.228 -19.797 16.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.202 -20.953 15.774 1.00 0.00 H new ATOM 187 N SER A 31 -12.843 -16.673 19.567 1.00 0.00 N ATOM 188 CA SER A 31 -11.381 -16.391 19.818 1.00 0.00 C ATOM 189 C SER A 31 -10.412 -17.511 19.677 1.00 0.00 C ATOM 190 O SER A 31 -10.655 -18.705 19.770 1.00 0.00 O ATOM 191 CB SER A 31 -11.265 -15.772 21.238 1.00 0.00 C ATOM 192 OG SER A 31 -12.415 -16.283 21.929 1.00 0.00 O ATOM 0 H SER A 31 -13.349 -16.929 20.415 1.00 0.00 H new ATOM 0 HA SER A 31 -11.082 -15.722 19.011 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.338 -16.069 21.729 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.272 -14.683 21.201 1.00 0.00 H new ATOM 0 HG SER A 31 -12.354 -17.259 21.988 1.00 0.00 H new ATOM 198 N VAL A 32 -9.244 -16.988 19.433 1.00 0.00 N ATOM 199 CA VAL A 32 -8.160 -17.903 19.167 1.00 0.00 C ATOM 200 C VAL A 32 -7.901 -18.987 20.225 1.00 0.00 C ATOM 201 O VAL A 32 -7.749 -20.126 19.863 1.00 0.00 O ATOM 202 CB VAL A 32 -6.932 -17.051 18.929 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.093 -16.774 20.203 1.00 0.00 C ATOM 204 CG2 VAL A 32 -6.039 -17.775 17.905 1.00 0.00 C ATOM 0 H VAL A 32 -9.019 -15.993 19.411 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.438 -18.500 18.298 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.283 -16.082 18.573 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.232 -16.157 19.945 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.707 -16.251 20.936 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.749 -17.718 20.625 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.146 -17.180 17.716 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.749 -18.749 18.299 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.589 -17.909 16.974 1.00 0.00 H new ATOM 214 N GLU A 33 -7.850 -18.691 21.497 1.00 0.00 N ATOM 215 CA GLU A 33 -7.571 -19.825 22.450 1.00 0.00 C ATOM 216 C GLU A 33 -8.564 -20.968 22.254 1.00 0.00 C ATOM 217 O GLU A 33 -8.196 -22.123 22.103 1.00 0.00 O ATOM 218 CB GLU A 33 -7.593 -19.250 23.898 1.00 0.00 C ATOM 219 CG GLU A 33 -6.220 -18.473 24.118 1.00 0.00 C ATOM 220 CD GLU A 33 -4.991 -19.341 23.808 1.00 0.00 C ATOM 221 OE1 GLU A 33 -4.980 -20.517 24.134 1.00 0.00 O ATOM 222 OE2 GLU A 33 -4.070 -18.809 23.222 1.00 0.00 O ATOM 0 H GLU A 33 -7.980 -17.767 21.910 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.589 -20.256 22.255 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.441 -18.578 24.032 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.703 -20.052 24.628 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.203 -17.587 23.484 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.164 -18.127 25.150 1.00 0.00 H new ATOM 229 N GLU A 34 -9.802 -20.571 22.233 1.00 0.00 N ATOM 230 CA GLU A 34 -10.927 -21.544 22.023 1.00 0.00 C ATOM 231 C GLU A 34 -10.541 -22.383 20.768 1.00 0.00 C ATOM 232 O GLU A 34 -10.487 -23.600 20.745 1.00 0.00 O ATOM 233 CB GLU A 34 -12.239 -20.752 21.793 1.00 0.00 C ATOM 234 CG GLU A 34 -13.498 -21.430 22.488 1.00 0.00 C ATOM 235 CD GLU A 34 -13.371 -22.947 22.561 1.00 0.00 C ATOM 236 OE1 GLU A 34 -13.147 -23.553 21.533 1.00 0.00 O ATOM 237 OE2 GLU A 34 -13.492 -23.479 23.649 1.00 0.00 O ATOM 0 H GLU A 34 -10.095 -19.601 22.353 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.085 -22.198 22.881 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.119 -19.739 22.178 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.423 -20.666 20.722 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.615 -21.029 23.495 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.400 -21.169 21.934 1.00 0.00 H new ATOM 244 N ALA A 35 -10.260 -21.637 19.736 1.00 0.00 N ATOM 245 CA ALA A 35 -9.844 -22.231 18.434 1.00 0.00 C ATOM 246 C ALA A 35 -8.648 -23.190 18.558 1.00 0.00 C ATOM 247 O ALA A 35 -8.717 -24.323 18.155 1.00 0.00 O ATOM 248 CB ALA A 35 -9.535 -21.055 17.518 1.00 0.00 C ATOM 0 H ALA A 35 -10.302 -20.618 19.741 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.643 -22.855 18.033 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.222 -21.426 16.542 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.427 -20.439 17.403 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.734 -20.456 17.952 1.00 0.00 H new ATOM 254 N LYS A 36 -7.584 -22.702 19.125 1.00 0.00 N ATOM 255 CA LYS A 36 -6.301 -23.427 19.317 1.00 0.00 C ATOM 256 C LYS A 36 -6.619 -24.774 19.848 1.00 0.00 C ATOM 257 O LYS A 36 -6.211 -25.788 19.329 1.00 0.00 O ATOM 258 CB LYS A 36 -5.458 -22.553 20.271 1.00 0.00 C ATOM 259 CG LYS A 36 -4.966 -21.354 19.412 1.00 0.00 C ATOM 260 CD LYS A 36 -4.349 -20.141 20.162 1.00 0.00 C ATOM 261 CE LYS A 36 -3.105 -20.476 20.961 1.00 0.00 C ATOM 262 NZ LYS A 36 -3.545 -21.200 22.183 1.00 0.00 N ATOM 0 H LYS A 36 -7.555 -21.751 19.492 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.727 -23.584 18.404 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.053 -22.211 21.118 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.617 -23.115 20.678 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.223 -21.727 18.707 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.810 -20.993 18.824 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.104 -19.365 19.437 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.098 -19.724 20.834 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.425 -21.093 20.373 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.563 -19.568 21.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.120 -20.755 23.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.582 -21.159 22.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.241 -22.193 22.126 1.00 0.00 H new ATOM 276 N LYS A 37 -7.383 -24.689 20.883 1.00 0.00 N ATOM 277 CA LYS A 37 -7.813 -25.884 21.592 1.00 0.00 C ATOM 278 C LYS A 37 -8.534 -26.815 20.609 1.00 0.00 C ATOM 279 O LYS A 37 -8.137 -27.943 20.404 1.00 0.00 O ATOM 280 CB LYS A 37 -8.681 -25.367 22.719 1.00 0.00 C ATOM 281 CG LYS A 37 -9.216 -26.509 23.577 1.00 0.00 C ATOM 282 CD LYS A 37 -9.998 -25.899 24.751 1.00 0.00 C ATOM 283 CE LYS A 37 -11.061 -24.871 24.326 1.00 0.00 C ATOM 284 NZ LYS A 37 -11.943 -25.413 23.245 1.00 0.00 N ATOM 0 H LYS A 37 -7.732 -23.813 21.271 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.004 -26.486 22.007 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.104 -24.682 23.340 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.514 -24.798 22.307 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.862 -27.159 22.986 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.396 -27.125 23.945 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.484 -26.701 25.306 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.295 -25.420 25.433 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.668 -24.595 25.188 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.571 -23.962 23.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.932 -25.164 23.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.663 -25.004 22.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.848 -26.448 23.205 1.00 0.00 H new ATOM 298 N VAL A 38 -9.562 -26.300 20.006 1.00 0.00 N ATOM 299 CA VAL A 38 -10.340 -27.150 19.045 1.00 0.00 C ATOM 300 C VAL A 38 -9.475 -27.751 17.952 1.00 0.00 C ATOM 301 O VAL A 38 -9.543 -28.916 17.626 1.00 0.00 O ATOM 302 CB VAL A 38 -11.437 -26.317 18.365 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.112 -27.183 17.272 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.493 -25.877 19.380 1.00 0.00 C ATOM 0 H VAL A 38 -9.900 -25.345 20.127 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.765 -27.960 19.638 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.986 -25.427 17.926 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.894 -26.604 16.780 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.367 -27.486 16.536 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.551 -28.070 17.730 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.260 -25.289 18.876 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.950 -26.756 19.834 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.023 -25.272 20.155 1.00 0.00 H new ATOM 314 N ILE A 39 -8.669 -26.919 17.402 1.00 0.00 N ATOM 315 CA ILE A 39 -7.826 -27.341 16.286 1.00 0.00 C ATOM 316 C ILE A 39 -6.808 -28.364 16.755 1.00 0.00 C ATOM 317 O ILE A 39 -6.666 -29.392 16.137 1.00 0.00 O ATOM 318 CB ILE A 39 -7.175 -26.120 15.750 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.153 -25.100 15.204 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.453 -26.649 14.561 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.372 -23.803 14.842 1.00 0.00 C ATOM 0 H ILE A 39 -8.557 -25.945 17.685 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.412 -27.822 15.503 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.591 -25.628 16.528 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.658 -25.495 14.323 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.924 -24.883 15.943 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.922 -25.836 14.066 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.739 -27.409 14.877 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.169 -27.090 13.867 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.064 -23.059 14.447 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.887 -23.409 15.735 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.617 -24.031 14.090 1.00 0.00 H new ATOM 333 N LEU A 40 -6.116 -28.084 17.817 1.00 0.00 N ATOM 334 CA LEU A 40 -5.182 -29.082 18.358 1.00 0.00 C ATOM 335 C LEU A 40 -6.031 -30.353 18.623 1.00 0.00 C ATOM 336 O LEU A 40 -5.541 -31.430 18.344 1.00 0.00 O ATOM 337 CB LEU A 40 -4.557 -28.427 19.607 1.00 0.00 C ATOM 338 CG LEU A 40 -3.540 -27.293 19.238 1.00 0.00 C ATOM 339 CD1 LEU A 40 -2.686 -26.974 20.478 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.581 -27.662 18.076 1.00 0.00 C ATOM 0 H LEU A 40 -6.161 -27.204 18.330 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.359 -29.383 17.710 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.348 -28.013 20.232 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.049 -29.189 20.199 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.133 -26.440 18.908 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.973 -26.186 20.236 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.333 -26.641 21.290 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.146 -27.869 20.788 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.908 -26.827 17.880 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.998 -28.541 18.351 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.162 -27.878 17.179 1.00 0.00 H new ATOM 352 N GLN A 41 -7.246 -30.215 19.123 1.00 0.00 N ATOM 353 CA GLN A 41 -8.087 -31.453 19.311 1.00 0.00 C ATOM 354 C GLN A 41 -8.218 -32.145 17.919 1.00 0.00 C ATOM 355 O GLN A 41 -8.215 -33.350 17.785 1.00 0.00 O ATOM 356 CB GLN A 41 -9.522 -31.070 19.835 1.00 0.00 C ATOM 357 CG GLN A 41 -9.572 -30.458 21.291 1.00 0.00 C ATOM 358 CD GLN A 41 -10.952 -29.800 21.557 1.00 0.00 C ATOM 359 OE1 GLN A 41 -11.124 -28.651 21.931 1.00 0.00 O ATOM 360 NE2 GLN A 41 -12.005 -30.525 21.374 1.00 0.00 N ATOM 0 H GLN A 41 -7.679 -29.334 19.400 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.620 -32.115 20.041 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.963 -30.353 19.143 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.148 -31.962 19.813 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.388 -31.240 22.027 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.781 -29.717 21.408 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.911 -31.491 21.062 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.931 -30.131 21.542 1.00 0.00 H new ATOM 369 N ASP A 42 -8.329 -31.300 16.944 1.00 0.00 N ATOM 370 CA ASP A 42 -8.499 -31.620 15.485 1.00 0.00 C ATOM 371 C ASP A 42 -7.195 -31.574 14.616 1.00 0.00 C ATOM 372 O ASP A 42 -7.269 -31.396 13.415 1.00 0.00 O ATOM 373 CB ASP A 42 -9.435 -30.612 14.997 1.00 0.00 C ATOM 374 CG ASP A 42 -10.412 -31.040 13.911 1.00 0.00 C ATOM 375 OD1 ASP A 42 -10.695 -32.212 13.757 1.00 0.00 O ATOM 376 OD2 ASP A 42 -10.839 -30.082 13.294 1.00 0.00 O ATOM 0 H ASP A 42 -8.307 -30.294 17.112 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.835 -32.653 15.394 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.012 -30.247 15.847 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.857 -29.769 14.619 1.00 0.00 H new ATOM 381 N LYS A 43 -6.062 -31.696 15.224 1.00 0.00 N ATOM 382 CA LYS A 43 -4.751 -31.658 14.443 1.00 0.00 C ATOM 383 C LYS A 43 -3.882 -32.851 13.964 1.00 0.00 C ATOM 384 O LYS A 43 -3.202 -33.517 14.727 1.00 0.00 O ATOM 385 CB LYS A 43 -3.614 -30.748 15.158 1.00 0.00 C ATOM 386 CG LYS A 43 -2.290 -30.732 14.184 1.00 0.00 C ATOM 387 CD LYS A 43 -0.992 -29.975 14.638 1.00 0.00 C ATOM 388 CE LYS A 43 -0.063 -29.703 13.369 1.00 0.00 C ATOM 389 NZ LYS A 43 1.292 -29.306 13.859 1.00 0.00 N ATOM 0 H LYS A 43 -5.958 -31.822 16.231 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.303 -31.338 13.559 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.982 -29.734 15.318 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.362 -31.154 16.138 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.012 -31.769 13.997 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.596 -30.307 13.228 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.257 -29.032 15.117 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.452 -30.567 15.377 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.004 -30.597 12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.489 -28.915 12.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.594 -28.435 13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.255 -29.139 14.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.971 -30.067 13.656 1.00 0.00 H new ATOM 403 N PRO A 44 -3.944 -33.099 12.679 1.00 0.00 N ATOM 404 CA PRO A 44 -2.914 -33.914 11.981 1.00 0.00 C ATOM 405 C PRO A 44 -1.839 -32.845 11.490 1.00 0.00 C ATOM 406 O PRO A 44 -0.699 -32.818 11.913 1.00 0.00 O ATOM 407 CB PRO A 44 -3.637 -34.586 10.823 1.00 0.00 C ATOM 408 CG PRO A 44 -5.094 -34.152 11.060 1.00 0.00 C ATOM 409 CD PRO A 44 -5.032 -32.764 11.741 1.00 0.00 C ATOM 0 HA PRO A 44 -2.425 -34.685 12.576 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.263 -34.248 9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.525 -35.670 10.846 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.641 -34.099 10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.616 -34.871 11.691 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.779 -31.955 11.055 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.961 -32.483 12.237 1.00 0.00 H new ATOM 417 N GLU A 45 -2.261 -31.963 10.613 1.00 0.00 N ATOM 418 CA GLU A 45 -1.402 -30.895 9.981 1.00 0.00 C ATOM 419 C GLU A 45 -1.299 -29.514 10.742 1.00 0.00 C ATOM 420 O GLU A 45 -0.319 -28.799 10.635 1.00 0.00 O ATOM 421 CB GLU A 45 -1.974 -30.699 8.541 1.00 0.00 C ATOM 422 CG GLU A 45 -2.288 -32.054 7.763 1.00 0.00 C ATOM 423 CD GLU A 45 -3.689 -32.644 8.055 1.00 0.00 C ATOM 424 OE1 GLU A 45 -4.406 -32.087 8.870 1.00 0.00 O ATOM 425 OE2 GLU A 45 -3.983 -33.651 7.436 1.00 0.00 O ATOM 0 H GLU A 45 -3.228 -31.938 10.288 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.369 -31.241 10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.890 -30.111 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.261 -30.117 7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.198 -31.874 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.532 -32.794 8.026 1.00 0.00 H new ATOM 432 N ALA A 46 -2.332 -29.215 11.494 1.00 0.00 N ATOM 433 CA ALA A 46 -2.607 -27.970 12.360 1.00 0.00 C ATOM 434 C ALA A 46 -1.856 -27.336 13.649 1.00 0.00 C ATOM 435 O ALA A 46 -2.458 -27.348 14.707 1.00 0.00 O ATOM 436 CB ALA A 46 -4.067 -28.166 12.714 1.00 0.00 C ATOM 0 H ALA A 46 -3.112 -29.870 11.559 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.161 -27.214 11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.404 -27.339 13.339 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.662 -28.196 11.801 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.187 -29.104 13.257 1.00 0.00 H new ATOM 442 N GLN A 47 -0.646 -26.794 13.633 1.00 0.00 N ATOM 443 CA GLN A 47 -0.103 -26.212 14.952 1.00 0.00 C ATOM 444 C GLN A 47 -0.526 -24.724 15.035 1.00 0.00 C ATOM 445 O GLN A 47 -0.058 -23.921 14.263 1.00 0.00 O ATOM 446 CB GLN A 47 1.466 -26.296 15.002 1.00 0.00 C ATOM 447 CG GLN A 47 2.018 -25.729 16.360 1.00 0.00 C ATOM 448 CD GLN A 47 1.331 -26.390 17.546 1.00 0.00 C ATOM 449 OE1 GLN A 47 1.308 -27.591 17.679 1.00 0.00 O ATOM 450 NE2 GLN A 47 0.750 -25.664 18.442 1.00 0.00 N ATOM 0 H GLN A 47 -0.032 -26.724 12.822 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.506 -26.785 15.787 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.782 -27.332 14.881 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.890 -25.734 14.170 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.093 -25.897 16.418 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.861 -24.651 16.399 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.753 -24.648 18.356 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.288 -26.107 19.236 1.00 0.00 H new ATOM 459 N ILE A 48 -1.373 -24.309 15.931 1.00 0.00 N ATOM 460 CA ILE A 48 -1.793 -22.866 15.848 1.00 0.00 C ATOM 461 C ILE A 48 -0.853 -21.781 16.377 1.00 0.00 C ATOM 462 O ILE A 48 -0.156 -21.942 17.360 1.00 0.00 O ATOM 463 CB ILE A 48 -3.136 -22.665 16.570 1.00 0.00 C ATOM 464 CG1 ILE A 48 -4.331 -23.447 16.017 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.553 -21.190 16.509 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.053 -24.904 16.003 1.00 0.00 C ATOM 0 H ILE A 48 -1.781 -24.864 16.684 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.818 -22.719 14.768 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.930 -23.035 17.574 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.213 -23.247 16.625 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.557 -23.107 15.006 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.505 -21.060 17.023 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.793 -20.577 16.992 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.658 -20.884 15.468 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.918 -25.436 15.606 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.185 -25.103 15.375 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.852 -25.246 17.018 1.00 0.00 H new ATOM 478 N ILE A 49 -0.936 -20.701 15.635 1.00 0.00 N ATOM 479 CA ILE A 49 -0.263 -19.397 15.910 1.00 0.00 C ATOM 480 C ILE A 49 -1.317 -18.304 15.555 1.00 0.00 C ATOM 481 O ILE A 49 -2.051 -18.454 14.592 1.00 0.00 O ATOM 482 CB ILE A 49 0.980 -19.291 15.037 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.041 -20.380 15.367 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.619 -17.876 15.075 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.521 -20.273 16.809 1.00 0.00 C ATOM 0 H ILE A 49 -1.492 -20.678 14.780 1.00 0.00 H new ATOM 0 HA ILE A 49 0.063 -19.289 16.945 1.00 0.00 H new ATOM 0 HB ILE A 49 0.632 -19.469 14.019 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.614 -21.369 15.197 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.890 -20.279 14.691 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.501 -17.858 14.435 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.897 -17.141 14.719 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.908 -17.635 16.098 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.261 -21.049 17.005 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.971 -19.293 16.971 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.675 -20.400 17.484 1.00 0.00 H new ATOM 497 N VAL A 50 -1.360 -17.252 16.324 1.00 0.00 N ATOM 498 CA VAL A 50 -2.342 -16.147 16.059 1.00 0.00 C ATOM 499 C VAL A 50 -1.722 -15.115 15.092 1.00 0.00 C ATOM 500 O VAL A 50 -0.543 -14.810 15.153 1.00 0.00 O ATOM 501 CB VAL A 50 -2.698 -15.490 17.423 1.00 0.00 C ATOM 502 CG1 VAL A 50 -1.482 -14.772 18.026 1.00 0.00 C ATOM 503 CG2 VAL A 50 -3.848 -14.477 17.296 1.00 0.00 C ATOM 0 H VAL A 50 -0.755 -17.103 17.132 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.247 -16.536 15.591 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.013 -16.303 18.077 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.761 -14.322 18.979 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.677 -15.490 18.185 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.143 -13.993 17.343 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.061 -14.044 18.273 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.561 -13.686 16.604 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.738 -14.982 16.921 1.00 0.00 H new ATOM 513 N LEU A 51 -2.554 -14.625 14.213 1.00 0.00 N ATOM 514 CA LEU A 51 -2.154 -13.597 13.205 1.00 0.00 C ATOM 515 C LEU A 51 -3.213 -12.483 13.229 1.00 0.00 C ATOM 516 O LEU A 51 -4.378 -12.827 13.117 1.00 0.00 O ATOM 517 CB LEU A 51 -2.164 -14.209 11.825 1.00 0.00 C ATOM 518 CG LEU A 51 -1.067 -15.218 11.509 1.00 0.00 C ATOM 519 CD1 LEU A 51 -1.670 -16.313 10.579 1.00 0.00 C ATOM 520 CD2 LEU A 51 0.088 -14.447 10.766 1.00 0.00 C ATOM 0 H LEU A 51 -3.533 -14.906 14.150 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.159 -13.216 13.436 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.127 -14.698 11.678 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.102 -13.401 11.096 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.676 -15.688 12.411 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.903 -17.049 10.338 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.499 -16.806 11.087 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.031 -15.851 9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.892 -15.142 10.524 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.300 -14.007 9.847 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.472 -13.657 11.412 1.00 0.00 H new ATOM 532 N PRO A 52 -2.875 -11.221 13.354 1.00 0.00 N ATOM 533 CA PRO A 52 -3.923 -10.163 13.325 1.00 0.00 C ATOM 534 C PRO A 52 -4.346 -10.096 11.846 1.00 0.00 C ATOM 535 O PRO A 52 -3.485 -10.110 10.980 1.00 0.00 O ATOM 536 CB PRO A 52 -3.194 -8.925 13.842 1.00 0.00 C ATOM 537 CG PRO A 52 -1.769 -9.146 13.248 1.00 0.00 C ATOM 538 CD PRO A 52 -1.507 -10.652 13.525 1.00 0.00 C ATOM 0 HA PRO A 52 -4.823 -10.306 13.923 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.649 -8.000 13.487 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.184 -8.878 14.931 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.736 -8.920 12.182 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.027 -8.511 13.732 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.792 -11.081 12.823 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.112 -10.824 14.526 1.00 0.00 H new ATOM 546 N VAL A 53 -5.623 -10.027 11.581 1.00 0.00 N ATOM 547 CA VAL A 53 -6.092 -9.999 10.163 1.00 0.00 C ATOM 548 C VAL A 53 -5.325 -9.156 9.165 1.00 0.00 C ATOM 549 O VAL A 53 -5.105 -7.968 9.299 1.00 0.00 O ATOM 550 CB VAL A 53 -7.591 -9.634 10.208 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.046 -8.863 8.962 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.298 -10.999 10.126 1.00 0.00 C ATOM 0 H VAL A 53 -6.362 -9.989 12.283 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.899 -10.991 9.754 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.803 -9.024 11.087 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.108 -8.631 9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.478 -7.936 8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.876 -9.473 8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.378 -10.852 10.151 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.021 -11.497 9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.997 -11.616 10.972 1.00 0.00 H new ATOM 562 N GLY A 54 -4.955 -9.913 8.160 1.00 0.00 N ATOM 563 CA GLY A 54 -4.121 -9.381 7.026 1.00 0.00 C ATOM 564 C GLY A 54 -2.624 -9.773 6.973 1.00 0.00 C ATOM 565 O GLY A 54 -2.054 -9.672 5.904 1.00 0.00 O ATOM 0 H GLY A 54 -5.200 -10.899 8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.583 -9.704 6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.180 -8.293 7.051 1.00 0.00 H new ATOM 569 N THR A 55 -2.005 -10.199 8.058 1.00 0.00 N ATOM 570 CA THR A 55 -0.534 -10.481 8.023 1.00 0.00 C ATOM 571 C THR A 55 -0.129 -11.355 6.826 1.00 0.00 C ATOM 572 O THR A 55 -0.869 -12.239 6.453 1.00 0.00 O ATOM 573 CB THR A 55 -0.087 -11.187 9.325 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.089 -11.627 10.215 1.00 0.00 O ATOM 575 CG2 THR A 55 0.165 -10.031 10.267 1.00 0.00 C ATOM 0 H THR A 55 -2.456 -10.361 8.958 1.00 0.00 H new ATOM 0 HA THR A 55 -0.039 -9.515 7.924 1.00 0.00 H new ATOM 0 HB THR A 55 0.611 -11.949 8.979 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.620 -12.331 9.787 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.491 -10.414 11.234 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.940 -9.386 9.852 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.754 -9.459 10.394 1.00 0.00 H new ATOM 583 N ILE A 56 1.023 -11.113 6.253 1.00 0.00 N ATOM 584 CA ILE A 56 1.410 -11.953 5.074 1.00 0.00 C ATOM 585 C ILE A 56 1.899 -13.282 5.638 1.00 0.00 C ATOM 586 O ILE A 56 2.822 -13.377 6.423 1.00 0.00 O ATOM 587 CB ILE A 56 2.520 -11.255 4.268 1.00 0.00 C ATOM 588 CG1 ILE A 56 2.047 -9.844 3.862 1.00 0.00 C ATOM 589 CG2 ILE A 56 2.810 -12.083 2.984 1.00 0.00 C ATOM 590 CD1 ILE A 56 0.771 -9.852 2.973 1.00 0.00 C ATOM 0 H ILE A 56 1.693 -10.397 6.535 1.00 0.00 H new ATOM 0 HA ILE A 56 0.570 -12.105 4.396 1.00 0.00 H new ATOM 0 HB ILE A 56 3.423 -11.179 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.850 -9.262 4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.851 -9.340 3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.596 -11.596 2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.134 -13.086 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.904 -12.149 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.494 -8.827 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.970 -10.407 2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.047 -10.328 3.514 1.00 0.00 H new ATOM 602 N VAL A 57 1.205 -14.272 5.171 1.00 0.00 N ATOM 603 CA VAL A 57 1.408 -15.679 5.644 1.00 0.00 C ATOM 604 C VAL A 57 1.910 -16.781 4.710 1.00 0.00 C ATOM 605 O VAL A 57 3.097 -17.022 4.644 1.00 0.00 O ATOM 606 CB VAL A 57 0.049 -16.092 6.309 1.00 0.00 C ATOM 607 CG1 VAL A 57 0.124 -15.492 7.706 1.00 0.00 C ATOM 608 CG2 VAL A 57 -1.228 -15.436 5.584 1.00 0.00 C ATOM 0 H VAL A 57 0.481 -14.170 4.459 1.00 0.00 H new ATOM 0 HA VAL A 57 2.281 -15.621 6.295 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.075 -17.174 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.789 -15.729 8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.982 -15.907 8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.232 -14.410 7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.139 -15.759 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.154 -14.349 5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.258 -15.755 4.542 1.00 0.00 H new ATOM 618 N THR A 58 1.007 -17.415 4.033 1.00 0.00 N ATOM 619 CA THR A 58 1.278 -18.521 3.080 1.00 0.00 C ATOM 620 C THR A 58 1.688 -18.191 1.632 1.00 0.00 C ATOM 621 O THR A 58 0.911 -17.739 0.813 1.00 0.00 O ATOM 622 CB THR A 58 0.029 -19.413 3.054 1.00 0.00 C ATOM 623 OG1 THR A 58 -0.917 -18.993 4.034 1.00 0.00 O ATOM 624 CG2 THR A 58 0.352 -20.858 3.332 1.00 0.00 C ATOM 0 H THR A 58 0.014 -17.193 4.109 1.00 0.00 H new ATOM 0 HA THR A 58 2.182 -18.989 3.470 1.00 0.00 H new ATOM 0 HB THR A 58 -0.383 -19.319 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.260 -19.776 4.514 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.564 -21.448 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.046 -21.227 2.577 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.808 -20.946 4.318 1.00 0.00 H new ATOM 632 N MET A 59 2.947 -18.433 1.378 1.00 0.00 N ATOM 633 CA MET A 59 3.554 -18.256 0.011 1.00 0.00 C ATOM 634 C MET A 59 3.563 -19.620 -0.710 1.00 0.00 C ATOM 635 O MET A 59 3.049 -19.900 -1.774 1.00 0.00 O ATOM 636 CB MET A 59 4.997 -17.628 0.202 1.00 0.00 C ATOM 637 CG MET A 59 4.868 -16.289 0.990 1.00 0.00 C ATOM 638 SD MET A 59 6.176 -15.048 0.790 1.00 0.00 S ATOM 639 CE MET A 59 7.367 -15.634 2.023 1.00 0.00 C ATOM 0 H MET A 59 3.608 -18.758 2.083 1.00 0.00 H new ATOM 0 HA MET A 59 2.978 -17.577 -0.618 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.641 -18.322 0.742 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.462 -17.451 -0.768 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.923 -15.826 0.707 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.799 -16.532 2.050 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.237 -14.977 2.029 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.902 -15.630 3.009 1.00 0.00 H new ATOM 0 HE3 MET A 59 7.680 -16.648 1.774 1.00 0.00 H new ATOM 649 N GLU A 60 4.246 -20.371 0.058 1.00 0.00 N ATOM 650 CA GLU A 60 4.549 -21.816 -0.009 1.00 0.00 C ATOM 651 C GLU A 60 3.344 -22.526 0.643 1.00 0.00 C ATOM 652 O GLU A 60 2.202 -22.118 0.535 1.00 0.00 O ATOM 653 CB GLU A 60 5.870 -21.941 0.766 1.00 0.00 C ATOM 654 CG GLU A 60 5.657 -21.996 2.333 1.00 0.00 C ATOM 655 CD GLU A 60 4.660 -20.947 2.812 1.00 0.00 C ATOM 656 OE1 GLU A 60 5.000 -19.792 2.685 1.00 0.00 O ATOM 657 OE2 GLU A 60 3.602 -21.295 3.300 1.00 0.00 O ATOM 0 H GLU A 60 4.688 -19.963 0.882 1.00 0.00 H new ATOM 0 HA GLU A 60 4.677 -22.259 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.392 -22.842 0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.512 -21.095 0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.304 -22.988 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.613 -21.843 2.834 1.00 0.00 H new ATOM 664 N TYR A 61 3.670 -23.604 1.293 1.00 0.00 N ATOM 665 CA TYR A 61 2.659 -24.319 2.121 1.00 0.00 C ATOM 666 C TYR A 61 3.207 -24.497 3.570 1.00 0.00 C ATOM 667 O TYR A 61 3.929 -25.433 3.868 1.00 0.00 O ATOM 668 CB TYR A 61 2.328 -25.709 1.498 1.00 0.00 C ATOM 669 CG TYR A 61 0.978 -26.242 2.011 1.00 0.00 C ATOM 670 CD1 TYR A 61 0.197 -25.680 3.015 1.00 0.00 C ATOM 671 CD2 TYR A 61 0.524 -27.371 1.386 1.00 0.00 C ATOM 672 CE1 TYR A 61 -1.009 -26.259 3.353 1.00 0.00 C ATOM 673 CE2 TYR A 61 -0.684 -27.946 1.729 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.457 -27.387 2.717 1.00 0.00 C ATOM 675 OH TYR A 61 -2.667 -27.933 3.079 1.00 0.00 O ATOM 0 H TYR A 61 4.599 -24.025 1.288 1.00 0.00 H new ATOM 0 HA TYR A 61 1.743 -23.730 2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.300 -25.626 0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.119 -26.418 1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.534 -24.792 3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.123 -27.822 0.608 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.610 -25.815 4.133 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.021 -28.837 1.220 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.843 -28.728 2.534 1.00 0.00 H new ATOM 685 N ARG A 62 2.846 -23.573 4.425 1.00 0.00 N ATOM 686 CA ARG A 62 3.181 -23.605 5.898 1.00 0.00 C ATOM 687 C ARG A 62 2.280 -24.569 6.684 1.00 0.00 C ATOM 688 O ARG A 62 1.696 -24.292 7.717 1.00 0.00 O ATOM 689 CB ARG A 62 3.034 -22.171 6.478 1.00 0.00 C ATOM 690 CG ARG A 62 4.286 -21.739 7.278 1.00 0.00 C ATOM 691 CD ARG A 62 5.525 -21.566 6.429 1.00 0.00 C ATOM 692 NE ARG A 62 5.202 -20.467 5.469 1.00 0.00 N ATOM 693 CZ ARG A 62 5.744 -19.322 5.464 1.00 0.00 C ATOM 694 NH1 ARG A 62 7.004 -19.205 5.332 1.00 0.00 N ATOM 695 NH2 ARG A 62 4.962 -18.341 5.591 1.00 0.00 N ATOM 0 H ARG A 62 2.304 -22.753 4.153 1.00 0.00 H new ATOM 0 HA ARG A 62 4.205 -23.964 6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.863 -21.466 5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.158 -22.130 7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.073 -20.800 7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.487 -22.482 8.049 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.388 -21.310 7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.771 -22.488 5.902 1.00 0.00 H new ATOM 0 HE ARG A 62 4.490 -20.653 4.763 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.585 -20.037 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.433 -18.279 5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.959 -18.498 5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.332 -17.391 5.595 1.00 0.00 H new ATOM 709 N ILE A 63 2.211 -25.756 6.173 1.00 0.00 N ATOM 710 CA ILE A 63 1.332 -26.837 6.744 1.00 0.00 C ATOM 711 C ILE A 63 1.818 -27.540 8.019 1.00 0.00 C ATOM 712 O ILE A 63 1.597 -28.700 8.308 1.00 0.00 O ATOM 713 CB ILE A 63 1.153 -27.773 5.539 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.101 -28.860 5.730 1.00 0.00 C ATOM 715 CG2 ILE A 63 2.533 -28.454 5.367 1.00 0.00 C ATOM 716 CD1 ILE A 63 -1.313 -28.318 5.984 1.00 0.00 C ATOM 0 H ILE A 63 2.742 -26.046 5.352 1.00 0.00 H new ATOM 0 HA ILE A 63 0.404 -26.423 7.138 1.00 0.00 H new ATOM 0 HB ILE A 63 0.812 -27.190 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.083 -29.494 4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.394 -29.492 6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.496 -29.143 4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.293 -27.695 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.783 -29.004 6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.005 -29.151 6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.312 -27.708 6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.627 -27.710 5.136 1.00 0.00 H new ATOM 728 N ASP A 64 2.505 -26.745 8.754 1.00 0.00 N ATOM 729 CA ASP A 64 2.995 -27.098 10.103 1.00 0.00 C ATOM 730 C ASP A 64 2.034 -26.505 11.173 1.00 0.00 C ATOM 731 O ASP A 64 1.802 -27.023 12.255 1.00 0.00 O ATOM 732 CB ASP A 64 4.436 -26.525 10.166 1.00 0.00 C ATOM 733 CG ASP A 64 4.558 -25.046 9.747 1.00 0.00 C ATOM 734 OD1 ASP A 64 3.574 -24.333 9.571 1.00 0.00 O ATOM 735 OD2 ASP A 64 5.707 -24.683 9.612 1.00 0.00 O ATOM 0 H ASP A 64 2.766 -25.804 8.460 1.00 0.00 H new ATOM 0 HA ASP A 64 3.018 -28.169 10.303 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.812 -26.633 11.184 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.080 -27.125 9.523 1.00 0.00 H new ATOM 740 N ARG A 65 1.484 -25.405 10.759 1.00 0.00 N ATOM 741 CA ARG A 65 0.662 -24.491 11.592 1.00 0.00 C ATOM 742 C ARG A 65 -0.737 -24.080 11.090 1.00 0.00 C ATOM 743 O ARG A 65 -1.014 -24.134 9.908 1.00 0.00 O ATOM 744 CB ARG A 65 1.599 -23.342 11.733 1.00 0.00 C ATOM 745 CG ARG A 65 0.984 -22.007 12.275 1.00 0.00 C ATOM 746 CD ARG A 65 1.952 -20.836 11.984 1.00 0.00 C ATOM 747 NE ARG A 65 2.181 -20.774 10.501 1.00 0.00 N ATOM 748 CZ ARG A 65 1.242 -20.991 9.665 1.00 0.00 C ATOM 749 NH1 ARG A 65 0.354 -20.085 9.563 1.00 0.00 N ATOM 750 NH2 ARG A 65 1.239 -22.081 8.999 1.00 0.00 N ATOM 0 H ARG A 65 1.581 -25.079 9.797 1.00 0.00 H new ATOM 0 HA ARG A 65 0.342 -24.982 12.511 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.409 -23.641 12.399 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.045 -23.142 10.759 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.019 -21.821 11.803 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.804 -22.086 13.347 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.531 -19.897 12.343 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.896 -20.984 12.509 1.00 0.00 H new ATOM 0 HE ARG A 65 3.114 -20.552 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.418 -19.242 10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.422 -20.202 8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.982 -22.766 9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.494 -22.266 8.328 1.00 0.00 H new ATOM 764 N VAL A 66 -1.580 -23.654 11.998 1.00 0.00 N ATOM 765 CA VAL A 66 -2.922 -23.212 11.547 1.00 0.00 C ATOM 766 C VAL A 66 -2.805 -21.724 11.705 1.00 0.00 C ATOM 767 O VAL A 66 -2.453 -21.174 12.738 1.00 0.00 O ATOM 768 CB VAL A 66 -4.025 -23.725 12.420 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.386 -23.756 11.656 1.00 0.00 C ATOM 770 CG2 VAL A 66 -3.846 -25.121 12.665 1.00 0.00 C ATOM 0 H VAL A 66 -1.400 -23.596 13.000 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.170 -23.566 10.546 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.015 -23.084 13.302 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.166 -24.133 12.317 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.643 -22.748 11.330 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.301 -24.408 10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.653 -25.485 13.301 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.858 -25.661 11.718 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.890 -25.283 13.163 1.00 0.00 H new ATOM 780 N ARG A 67 -3.136 -21.166 10.599 1.00 0.00 N ATOM 781 CA ARG A 67 -3.066 -19.728 10.316 1.00 0.00 C ATOM 782 C ARG A 67 -4.387 -19.171 10.800 1.00 0.00 C ATOM 783 O ARG A 67 -5.381 -19.353 10.112 1.00 0.00 O ATOM 784 CB ARG A 67 -2.880 -19.664 8.821 1.00 0.00 C ATOM 785 CG ARG A 67 -2.443 -18.295 8.337 1.00 0.00 C ATOM 786 CD ARG A 67 -2.366 -18.371 6.840 1.00 0.00 C ATOM 787 NE ARG A 67 -3.780 -18.480 6.359 1.00 0.00 N ATOM 788 CZ ARG A 67 -4.165 -17.814 5.341 1.00 0.00 C ATOM 789 NH1 ARG A 67 -4.260 -16.568 5.546 1.00 0.00 N ATOM 790 NH2 ARG A 67 -4.407 -18.437 4.260 1.00 0.00 N ATOM 0 H ARG A 67 -3.485 -21.704 9.806 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.269 -19.159 10.794 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.138 -20.404 8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.816 -19.935 8.332 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.153 -17.529 8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.476 -18.025 8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.881 -17.486 6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.778 -19.233 6.523 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.437 -19.089 6.847 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.036 -16.184 6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.561 -15.949 4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.292 -19.450 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.716 -17.924 3.434 1.00 0.00 H new ATOM 804 N LEU A 68 -4.366 -18.553 11.951 1.00 0.00 N ATOM 805 CA LEU A 68 -5.604 -17.949 12.469 1.00 0.00 C ATOM 806 C LEU A 68 -5.602 -16.442 12.284 1.00 0.00 C ATOM 807 O LEU A 68 -5.092 -15.708 13.112 1.00 0.00 O ATOM 808 CB LEU A 68 -5.752 -18.317 13.977 1.00 0.00 C ATOM 809 CG LEU A 68 -6.492 -19.654 14.100 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.708 -20.795 13.441 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.824 -19.990 15.543 1.00 0.00 C ATOM 0 H LEU A 68 -3.544 -18.446 12.545 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.453 -18.342 11.909 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.770 -18.387 14.445 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.300 -17.535 14.502 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.435 -19.540 13.565 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.263 -21.727 13.548 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.567 -20.576 12.383 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.736 -20.894 13.923 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.348 -20.945 15.583 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.903 -20.057 16.122 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.460 -19.210 15.961 1.00 0.00 H new ATOM 823 N PHE A 69 -6.126 -16.051 11.145 1.00 0.00 N ATOM 824 CA PHE A 69 -6.387 -14.614 10.988 1.00 0.00 C ATOM 825 C PHE A 69 -7.594 -14.213 11.835 1.00 0.00 C ATOM 826 O PHE A 69 -8.759 -14.467 11.555 1.00 0.00 O ATOM 827 CB PHE A 69 -6.577 -14.376 9.474 1.00 0.00 C ATOM 828 CG PHE A 69 -5.170 -14.146 9.082 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.644 -13.008 9.580 1.00 0.00 C ATOM 830 CD2 PHE A 69 -4.405 -14.976 8.328 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.378 -12.660 9.350 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.142 -14.624 8.109 1.00 0.00 C ATOM 833 CZ PHE A 69 -2.590 -13.487 8.587 1.00 0.00 C ATOM 0 H PHE A 69 -6.371 -16.649 10.356 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.568 -13.988 11.343 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.017 -15.235 8.967 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.216 -13.519 9.262 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.266 -12.361 10.181 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.809 -15.891 7.920 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.978 -11.743 9.757 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.524 -15.282 7.517 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.561 -13.236 8.376 1.00 0.00 H new ATOM 843 N VAL A 70 -7.179 -13.553 12.884 1.00 0.00 N ATOM 844 CA VAL A 70 -8.172 -13.109 13.913 1.00 0.00 C ATOM 845 C VAL A 70 -8.349 -11.592 13.771 1.00 0.00 C ATOM 846 O VAL A 70 -7.638 -10.945 13.031 1.00 0.00 O ATOM 847 CB VAL A 70 -7.672 -13.447 15.359 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.290 -14.914 15.508 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.438 -12.656 15.766 1.00 0.00 C ATOM 0 H VAL A 70 -6.208 -13.303 13.074 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.117 -13.629 13.757 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.519 -13.188 15.994 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.950 -15.100 16.527 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.157 -15.539 15.295 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.489 -15.154 14.809 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.143 -12.937 16.777 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.622 -12.874 15.076 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.663 -11.590 15.736 1.00 0.00 H new ATOM 859 N ASP A 71 -9.261 -11.023 14.487 1.00 0.00 N ATOM 860 CA ASP A 71 -9.494 -9.577 14.289 1.00 0.00 C ATOM 861 C ASP A 71 -8.779 -8.737 15.341 1.00 0.00 C ATOM 862 O ASP A 71 -7.659 -8.959 15.756 1.00 0.00 O ATOM 863 CB ASP A 71 -11.044 -9.392 14.295 1.00 0.00 C ATOM 864 CG ASP A 71 -11.623 -9.301 15.698 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.356 -10.170 16.502 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.290 -8.295 15.843 1.00 0.00 O ATOM 0 H ASP A 71 -9.845 -11.482 15.186 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.077 -9.225 13.346 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.299 -8.488 13.743 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.507 -10.228 13.770 1.00 0.00 H new ATOM 871 N LYS A 72 -9.546 -7.776 15.716 1.00 0.00 N ATOM 872 CA LYS A 72 -9.161 -6.761 16.723 1.00 0.00 C ATOM 873 C LYS A 72 -9.370 -7.182 18.162 1.00 0.00 C ATOM 874 O LYS A 72 -8.892 -6.575 19.092 1.00 0.00 O ATOM 875 CB LYS A 72 -9.970 -5.527 16.440 1.00 0.00 C ATOM 876 CG LYS A 72 -9.901 -5.086 14.961 1.00 0.00 C ATOM 877 CD LYS A 72 -11.036 -4.036 14.712 1.00 0.00 C ATOM 878 CE LYS A 72 -12.422 -4.565 15.162 1.00 0.00 C ATOM 879 NZ LYS A 72 -12.648 -5.894 14.515 1.00 0.00 N ATOM 0 H LYS A 72 -10.486 -7.641 15.344 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.087 -6.598 16.629 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.010 -5.711 16.710 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.615 -4.714 17.073 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.926 -4.652 14.738 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.026 -5.945 14.302 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.805 -3.117 15.252 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.071 -3.783 13.652 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.459 -4.660 16.247 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.207 -3.865 14.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.665 -6.029 14.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.139 -5.930 13.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.297 -6.648 15.139 1.00 0.00 H new ATOM 893 N LEU A 73 -10.093 -8.226 18.271 1.00 0.00 N ATOM 894 CA LEU A 73 -10.449 -8.796 19.593 1.00 0.00 C ATOM 895 C LEU A 73 -10.276 -10.333 19.491 1.00 0.00 C ATOM 896 O LEU A 73 -11.121 -11.140 19.809 1.00 0.00 O ATOM 897 CB LEU A 73 -11.884 -8.188 19.780 1.00 0.00 C ATOM 898 CG LEU A 73 -13.032 -9.116 19.407 1.00 0.00 C ATOM 899 CD1 LEU A 73 -13.504 -9.845 20.689 1.00 0.00 C ATOM 900 CD2 LEU A 73 -14.227 -8.292 18.888 1.00 0.00 C ATOM 0 H LEU A 73 -10.474 -8.739 17.476 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.855 -8.564 20.477 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.002 -7.889 20.822 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.959 -7.282 19.178 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.693 -9.815 18.642 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.327 -10.516 20.444 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.678 -10.421 21.105 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.840 -9.111 21.422 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.044 -8.963 18.623 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.560 -7.604 19.665 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.923 -7.725 18.008 1.00 0.00 H new ATOM 912 N ASP A 74 -9.109 -10.675 19.012 1.00 0.00 N ATOM 913 CA ASP A 74 -8.672 -12.085 18.835 1.00 0.00 C ATOM 914 C ASP A 74 -9.741 -13.091 18.416 1.00 0.00 C ATOM 915 O ASP A 74 -9.583 -14.267 18.679 1.00 0.00 O ATOM 916 CB ASP A 74 -7.960 -12.436 20.205 1.00 0.00 C ATOM 917 CG ASP A 74 -8.727 -13.445 21.086 1.00 0.00 C ATOM 918 OD1 ASP A 74 -9.744 -13.015 21.607 1.00 0.00 O ATOM 919 OD2 ASP A 74 -8.265 -14.575 21.186 1.00 0.00 O ATOM 0 H ASP A 74 -8.408 -9.993 18.722 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.010 -12.167 17.973 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.970 -12.838 19.992 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.815 -11.516 20.771 1.00 0.00 H new ATOM 924 N ASN A 75 -10.771 -12.621 17.767 1.00 0.00 N ATOM 925 CA ASN A 75 -11.825 -13.535 17.295 1.00 0.00 C ATOM 926 C ASN A 75 -11.598 -13.728 15.786 1.00 0.00 C ATOM 927 O ASN A 75 -10.996 -12.929 15.101 1.00 0.00 O ATOM 928 CB ASN A 75 -13.222 -12.906 17.619 1.00 0.00 C ATOM 929 CG ASN A 75 -13.611 -12.982 19.070 1.00 0.00 C ATOM 930 OD1 ASN A 75 -14.710 -12.655 19.465 1.00 0.00 O ATOM 931 ND2 ASN A 75 -12.733 -13.410 19.892 1.00 0.00 N ATOM 0 H ASN A 75 -10.920 -11.636 17.547 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.794 -14.507 17.787 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.218 -11.861 17.310 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.982 -13.411 17.024 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.955 -13.478 20.885 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.810 -13.684 19.555 1.00 0.00 H new ATOM 938 N ILE A 76 -12.107 -14.818 15.318 1.00 0.00 N ATOM 939 CA ILE A 76 -11.921 -15.274 13.943 1.00 0.00 C ATOM 940 C ILE A 76 -12.769 -14.608 12.929 1.00 0.00 C ATOM 941 O ILE A 76 -13.984 -14.676 12.842 1.00 0.00 O ATOM 942 CB ILE A 76 -12.108 -16.759 13.985 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.931 -17.062 14.957 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.878 -17.311 12.527 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.729 -18.447 15.162 1.00 0.00 C ATOM 0 H ILE A 76 -12.682 -15.446 15.879 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.924 -14.997 13.599 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.067 -17.176 14.292 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.016 -16.621 14.560 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.126 -16.582 15.916 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.007 -18.393 12.523 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.600 -16.857 11.848 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.868 -17.065 12.200 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.895 -18.595 15.848 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.631 -18.887 15.586 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.504 -18.927 14.209 1.00 0.00 H new ATOM 957 N ALA A 77 -11.916 -14.008 12.175 1.00 0.00 N ATOM 958 CA ALA A 77 -12.241 -13.112 11.096 1.00 0.00 C ATOM 959 C ALA A 77 -12.276 -13.883 9.760 1.00 0.00 C ATOM 960 O ALA A 77 -13.212 -13.758 8.998 1.00 0.00 O ATOM 961 CB ALA A 77 -11.134 -12.124 11.458 1.00 0.00 C ATOM 0 H ALA A 77 -10.910 -14.130 12.294 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.205 -12.618 10.971 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.148 -11.289 10.758 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.295 -11.752 12.470 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.167 -12.625 11.405 1.00 0.00 H new ATOM 967 N GLN A 78 -11.259 -14.664 9.562 1.00 0.00 N ATOM 968 CA GLN A 78 -11.115 -15.467 8.293 1.00 0.00 C ATOM 969 C GLN A 78 -11.210 -16.941 8.693 1.00 0.00 C ATOM 970 O GLN A 78 -10.986 -17.243 9.849 1.00 0.00 O ATOM 971 CB GLN A 78 -9.742 -15.167 7.676 1.00 0.00 C ATOM 972 CG GLN A 78 -9.637 -15.739 6.226 1.00 0.00 C ATOM 973 CD GLN A 78 -8.220 -15.549 5.678 1.00 0.00 C ATOM 974 OE1 GLN A 78 -7.319 -16.318 5.936 1.00 0.00 O ATOM 975 NE2 GLN A 78 -7.956 -14.541 4.922 1.00 0.00 N ATOM 0 H GLN A 78 -10.499 -14.792 10.231 1.00 0.00 H new ATOM 0 HA GLN A 78 -11.885 -15.221 7.561 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.576 -14.090 7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -8.958 -15.600 8.298 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.894 -16.798 6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.355 -15.237 5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.691 -13.875 4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.012 -14.409 4.560 1.00 0.00 H new ATOM 984 N VAL A 79 -11.516 -17.868 7.811 1.00 0.00 N ATOM 985 CA VAL A 79 -11.564 -19.256 8.376 1.00 0.00 C ATOM 986 C VAL A 79 -10.142 -19.752 8.681 1.00 0.00 C ATOM 987 O VAL A 79 -9.273 -19.631 7.837 1.00 0.00 O ATOM 988 CB VAL A 79 -12.239 -20.267 7.405 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.133 -21.679 8.052 1.00 0.00 C ATOM 990 CG2 VAL A 79 -13.722 -19.981 7.473 1.00 0.00 C ATOM 0 H VAL A 79 -11.717 -17.747 6.818 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.159 -19.203 9.288 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.799 -20.205 6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.598 -22.415 7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.083 -21.934 8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.644 -21.677 9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.255 -20.662 6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.073 -20.122 8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.909 -18.953 7.164 1.00 0.00 H new ATOM 1000 N PRO A 80 -9.951 -20.302 9.859 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.617 -20.796 10.315 1.00 0.00 C ATOM 1002 C PRO A 80 -8.238 -21.996 9.445 1.00 0.00 C ATOM 1003 O PRO A 80 -9.093 -22.775 9.076 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.850 -21.123 11.788 1.00 0.00 C ATOM 1005 CG PRO A 80 -10.092 -20.265 12.143 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.962 -20.538 10.927 1.00 0.00 C ATOM 0 HA PRO A 80 -7.784 -20.099 10.220 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -9.037 -22.186 11.941 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.988 -20.859 12.401 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.565 -20.582 13.073 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.850 -19.208 12.253 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.360 -21.553 10.913 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.813 -19.861 10.858 1.00 0.00 H new ATOM 1014 N ARG A 81 -6.987 -22.144 9.137 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.605 -23.263 8.207 1.00 0.00 C ATOM 1016 C ARG A 81 -5.192 -23.715 8.418 1.00 0.00 C ATOM 1017 O ARG A 81 -4.405 -22.897 8.857 1.00 0.00 O ATOM 1018 CB ARG A 81 -6.833 -22.780 6.770 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.105 -21.476 6.632 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.575 -20.755 5.400 1.00 0.00 C ATOM 1021 NE ARG A 81 -8.052 -20.594 5.566 1.00 0.00 N ATOM 1022 CZ ARG A 81 -8.846 -21.026 4.661 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -8.721 -20.457 3.548 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -9.690 -21.960 4.876 1.00 0.00 N ATOM 0 H ARG A 81 -6.220 -21.561 9.472 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.227 -24.134 8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.458 -23.510 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.897 -22.652 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.278 -20.858 7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.031 -21.654 6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.084 -19.787 5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.342 -21.324 4.500 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.426 -20.140 6.400 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.029 -19.718 3.428 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.312 -20.734 2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.749 -22.391 5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.305 -22.274 4.125 1.00 0.00 H new ATOM 1038 N VAL A 82 -4.858 -24.947 8.120 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.449 -25.323 8.394 1.00 0.00 C ATOM 1040 C VAL A 82 -2.621 -24.847 7.238 1.00 0.00 C ATOM 1041 O VAL A 82 -2.622 -25.460 6.188 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.153 -26.807 8.460 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -1.682 -26.964 9.046 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.109 -27.479 9.346 1.00 0.00 C ATOM 0 H VAL A 82 -5.462 -25.666 7.723 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.233 -24.886 9.369 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.235 -27.257 7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.427 -28.022 9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.973 -26.459 8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.637 -26.518 10.040 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.883 -28.545 9.383 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.035 -27.057 10.348 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.120 -27.335 8.966 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.949 -23.773 7.459 1.00 0.00 N ATOM 1055 CA GLY A 83 -1.039 -23.279 6.413 1.00 0.00 C ATOM 1056 C GLY A 83 -1.091 -21.749 6.351 1.00 0.00 C ATOM 1057 O GLY A 83 -1.771 -21.229 5.480 1.00 0.00 O ATOM 1058 OXT GLY A 83 -0.438 -21.172 7.207 1.00 0.00 O ATOM 0 H GLY A 83 -1.988 -23.216 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.021 -23.608 6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.319 -23.700 5.447 1.00 0.00 H new TER 1062 GLY A 83