USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 1 GLY N :NH3+ -124:sc= -0.695 (180deg=-2.62!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= -1.41 USER MOD Single : A 12 THR OG1 : rot -170:sc= -1.14 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= -1.49 (180deg=-3.54!) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -0.0543 (180deg=-0.514) USER MOD Single : A 34 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.5!) USER MOD Single : A 39 SER OG : rot -170:sc= 0 USER MOD Single : A 41 THR OG1 : rot 161:sc= -3.2! USER MOD Single : A 48 MET CE :methyl -150:sc= -1.84 (180deg=-6.48!) USER MOD Single : A 49 GLN : amide:sc= -1.31 K(o=-1.3,f=-6.8!) USER MOD Single : A 52 SER OG : rot 140:sc= 2.2 USER MOD Single : A 55 ASN : amide:sc= -1.26! C(o=-1.3!,f=-2.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 59 GLN : amide:sc= -4.92 K(o=-4.9,f=-12!) USER MOD Single : A 64 SER OG : rot -46:sc= 0.176 USER MOD Single : A 66 HIS : no HE2:sc= -1.01 K(o=-1,f=-2.6) USER MOD Single : A 70 CYS SG : rot 166:sc= -0.483 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.633 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 170:sc=-0.00635 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -72:sc= 1.14 USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= -0.167 (180deg=-0.778) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.313 10.241 1.476 1.00 0.00 N ATOM 2 CA GLY A 1 5.338 11.135 0.879 1.00 0.00 C ATOM 3 C GLY A 1 4.634 10.513 -0.311 1.00 0.00 C ATOM 4 O GLY A 1 3.448 10.185 -0.257 1.00 0.00 O ATOM 0 H1 GLY A 1 6.096 10.114 2.485 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.278 9.319 0.996 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.265 10.648 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.599 11.415 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.835 12.052 0.564 1.00 0.00 H new ATOM 8 N PRO A 2 5.372 10.343 -1.418 1.00 0.00 N ATOM 9 CA PRO A 2 4.832 9.756 -2.648 1.00 0.00 C ATOM 10 C PRO A 2 4.536 8.268 -2.499 1.00 0.00 C ATOM 11 O PRO A 2 5.401 7.426 -2.736 1.00 0.00 O ATOM 12 CB PRO A 2 5.950 9.979 -3.669 1.00 0.00 C ATOM 13 CG PRO A 2 7.194 10.070 -2.854 1.00 0.00 C ATOM 14 CD PRO A 2 6.792 10.710 -1.554 1.00 0.00 C ATOM 0 HA PRO A 2 3.881 10.208 -2.931 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.004 9.157 -4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.785 10.891 -4.244 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.624 9.082 -2.686 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.952 10.665 -3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.386 10.334 -0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.927 11.791 -1.580 1.00 0.00 H new ATOM 22 N GLY A 3 3.307 7.950 -2.104 1.00 0.00 N ATOM 23 CA GLY A 3 2.919 6.562 -1.930 1.00 0.00 C ATOM 24 C GLY A 3 1.418 6.365 -2.011 1.00 0.00 C ATOM 25 O GLY A 3 0.809 6.608 -3.052 1.00 0.00 O ATOM 0 H GLY A 3 2.573 8.629 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.404 5.954 -2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.277 6.206 -0.964 1.00 0.00 H new ATOM 29 N SER A 4 0.821 5.922 -0.909 1.00 0.00 N ATOM 30 CA SER A 4 -0.618 5.686 -0.862 1.00 0.00 C ATOM 31 C SER A 4 -1.387 6.998 -0.981 1.00 0.00 C ATOM 32 O SER A 4 -1.364 7.829 -0.073 1.00 0.00 O ATOM 33 CB SER A 4 -0.997 4.976 0.439 1.00 0.00 C ATOM 34 OG SER A 4 -0.693 3.594 0.373 1.00 0.00 O ATOM 0 H SER A 4 1.311 5.719 -0.037 1.00 0.00 H new ATOM 0 HA SER A 4 -0.885 5.050 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.462 5.430 1.274 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.061 5.109 0.633 1.00 0.00 H new ATOM 0 HG SER A 4 -0.943 3.163 1.217 1.00 0.00 H new ATOM 40 N MET A 5 -2.068 7.177 -2.109 1.00 0.00 N ATOM 41 CA MET A 5 -2.845 8.388 -2.347 1.00 0.00 C ATOM 42 C MET A 5 -4.084 8.082 -3.183 1.00 0.00 C ATOM 43 O MET A 5 -4.253 6.966 -3.676 1.00 0.00 O ATOM 44 CB MET A 5 -1.987 9.440 -3.052 1.00 0.00 C ATOM 45 CG MET A 5 -1.274 10.382 -2.096 1.00 0.00 C ATOM 46 SD MET A 5 -0.117 11.480 -2.937 1.00 0.00 S ATOM 47 CE MET A 5 -0.523 13.048 -2.173 1.00 0.00 C ATOM 0 H MET A 5 -2.097 6.500 -2.871 1.00 0.00 H new ATOM 0 HA MET A 5 -3.166 8.780 -1.382 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.246 8.936 -3.673 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.619 10.024 -3.721 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.013 10.979 -1.562 1.00 0.00 H new ATOM 0 HG3 MET A 5 -0.737 9.797 -1.349 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.111 13.831 -2.590 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.569 13.287 -2.366 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.358 12.982 -1.098 1.00 0.00 H new ATOM 57 N VAL A 6 -4.949 9.079 -3.339 1.00 0.00 N ATOM 58 CA VAL A 6 -6.172 8.917 -4.116 1.00 0.00 C ATOM 59 C VAL A 6 -6.497 10.183 -4.900 1.00 0.00 C ATOM 60 O VAL A 6 -6.223 11.294 -4.446 1.00 0.00 O ATOM 61 CB VAL A 6 -7.368 8.564 -3.213 1.00 0.00 C ATOM 62 CG1 VAL A 6 -7.263 7.127 -2.725 1.00 0.00 C ATOM 63 CG2 VAL A 6 -7.452 9.528 -2.039 1.00 0.00 C ATOM 0 H VAL A 6 -4.825 10.008 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.998 8.097 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.283 8.659 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.117 6.896 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.255 6.452 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.342 7.002 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.303 9.264 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.535 9.467 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.578 10.545 -2.411 1.00 0.00 H new ATOM 73 N ASP A 7 -7.084 10.008 -6.079 1.00 0.00 N ATOM 74 CA ASP A 7 -7.449 11.138 -6.926 1.00 0.00 C ATOM 75 C ASP A 7 -8.564 11.959 -6.287 1.00 0.00 C ATOM 76 O ASP A 7 -9.657 11.452 -6.037 1.00 0.00 O ATOM 77 CB ASP A 7 -7.888 10.646 -8.306 1.00 0.00 C ATOM 78 CG ASP A 7 -6.721 10.179 -9.154 1.00 0.00 C ATOM 79 OD1 ASP A 7 -5.565 10.328 -8.704 1.00 0.00 O ATOM 80 OD2 ASP A 7 -6.962 9.666 -10.266 1.00 0.00 O ATOM 0 H ASP A 7 -7.317 9.095 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.572 11.775 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.598 9.827 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.412 11.449 -8.825 1.00 0.00 H new ATOM 85 N VAL A 8 -8.278 13.230 -6.022 1.00 0.00 N ATOM 86 CA VAL A 8 -9.257 14.122 -5.412 1.00 0.00 C ATOM 87 C VAL A 8 -9.849 15.076 -6.443 1.00 0.00 C ATOM 88 O VAL A 8 -9.123 15.695 -7.221 1.00 0.00 O ATOM 89 CB VAL A 8 -8.631 14.944 -4.269 1.00 0.00 C ATOM 90 CG1 VAL A 8 -9.691 15.780 -3.570 1.00 0.00 C ATOM 91 CG2 VAL A 8 -7.924 14.028 -3.280 1.00 0.00 C ATOM 0 H VAL A 8 -7.377 13.665 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.049 13.493 -5.006 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.891 15.622 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.230 16.354 -2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.147 16.462 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.457 15.124 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.488 14.625 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.642 13.325 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.136 13.478 -3.793 1.00 0.00 H new ATOM 101 N ILE A 9 -11.173 15.190 -6.442 1.00 0.00 N ATOM 102 CA ILE A 9 -11.864 16.071 -7.377 1.00 0.00 C ATOM 103 C ILE A 9 -12.802 17.023 -6.644 1.00 0.00 C ATOM 104 O ILE A 9 -13.580 16.606 -5.786 1.00 0.00 O ATOM 105 CB ILE A 9 -12.672 15.268 -8.414 1.00 0.00 C ATOM 106 CG1 ILE A 9 -11.822 14.133 -8.988 1.00 0.00 C ATOM 107 CG2 ILE A 9 -13.164 16.183 -9.525 1.00 0.00 C ATOM 108 CD1 ILE A 9 -12.553 13.285 -10.005 1.00 0.00 C ATOM 0 H ILE A 9 -11.788 14.684 -5.805 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.097 16.648 -7.894 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.539 14.832 -7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.931 14.556 -9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.483 13.495 -8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.733 15.601 -10.250 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.802 16.959 -9.102 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.310 16.645 -10.021 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.889 12.501 -10.369 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.429 12.833 -9.539 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.868 13.910 -10.840 1.00 0.00 H new ATOM 120 N ILE A 10 -12.724 18.304 -6.989 1.00 0.00 N ATOM 121 CA ILE A 10 -13.568 19.315 -6.366 1.00 0.00 C ATOM 122 C ILE A 10 -14.409 20.047 -7.407 1.00 0.00 C ATOM 123 O ILE A 10 -13.915 20.414 -8.473 1.00 0.00 O ATOM 124 CB ILE A 10 -12.731 20.344 -5.584 1.00 0.00 C ATOM 125 CG1 ILE A 10 -13.645 21.341 -4.869 1.00 0.00 C ATOM 126 CG2 ILE A 10 -11.776 21.071 -6.520 1.00 0.00 C ATOM 127 CD1 ILE A 10 -13.162 21.718 -3.486 1.00 0.00 C ATOM 0 H ILE A 10 -12.085 18.666 -7.697 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.226 18.792 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.143 19.816 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.729 22.244 -5.474 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.645 20.914 -4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.191 21.795 -5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.106 20.350 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.346 21.589 -7.291 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.858 22.427 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.105 20.824 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.175 22.174 -3.557 1.00 0.00 H new ATOM 139 N TYR A 11 -15.682 20.256 -7.090 1.00 0.00 N ATOM 140 CA TYR A 11 -16.593 20.944 -7.997 1.00 0.00 C ATOM 141 C TYR A 11 -17.017 22.293 -7.425 1.00 0.00 C ATOM 142 O TYR A 11 -17.644 22.364 -6.368 1.00 0.00 O ATOM 143 CB TYR A 11 -17.827 20.080 -8.266 1.00 0.00 C ATOM 144 CG TYR A 11 -17.822 19.425 -9.628 1.00 0.00 C ATOM 145 CD1 TYR A 11 -16.760 18.624 -10.032 1.00 0.00 C ATOM 146 CD2 TYR A 11 -18.879 19.606 -10.512 1.00 0.00 C ATOM 147 CE1 TYR A 11 -16.751 18.024 -11.276 1.00 0.00 C ATOM 148 CE2 TYR A 11 -18.879 19.008 -11.758 1.00 0.00 C ATOM 149 CZ TYR A 11 -17.813 18.218 -12.135 1.00 0.00 C ATOM 150 OH TYR A 11 -17.809 17.622 -13.375 1.00 0.00 O ATOM 0 H TYR A 11 -16.106 19.959 -6.211 1.00 0.00 H new ATOM 0 HA TYR A 11 -16.068 21.118 -8.936 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -17.893 19.307 -7.501 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.720 20.698 -8.172 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -15.928 18.468 -9.362 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -19.715 20.225 -10.220 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.917 17.406 -11.575 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -19.709 19.158 -12.433 1.00 0.00 H new ATOM 0 HH TYR A 11 -17.307 16.782 -13.332 1.00 0.00 H new ATOM 160 N THR A 12 -16.670 23.364 -8.133 1.00 0.00 N ATOM 161 CA THR A 12 -17.013 24.711 -7.697 1.00 0.00 C ATOM 162 C THR A 12 -17.208 25.642 -8.889 1.00 0.00 C ATOM 163 O THR A 12 -16.723 25.369 -9.987 1.00 0.00 O ATOM 164 CB THR A 12 -15.927 25.298 -6.775 1.00 0.00 C ATOM 165 OG1 THR A 12 -16.084 26.717 -6.675 1.00 0.00 O ATOM 166 CG2 THR A 12 -14.538 24.971 -7.301 1.00 0.00 C ATOM 0 H THR A 12 -16.152 23.324 -9.011 1.00 0.00 H new ATOM 0 HA THR A 12 -17.948 24.634 -7.142 1.00 0.00 H new ATOM 0 HB THR A 12 -16.039 24.851 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 12 -15.305 27.101 -6.221 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.787 25.395 -6.634 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.412 23.889 -7.348 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.418 25.394 -8.298 1.00 0.00 H new ATOM 174 N ARG A 13 -17.921 26.741 -8.666 1.00 0.00 N ATOM 175 CA ARG A 13 -18.180 27.712 -9.722 1.00 0.00 C ATOM 176 C ARG A 13 -17.508 29.046 -9.411 1.00 0.00 C ATOM 177 O ARG A 13 -17.129 29.328 -8.275 1.00 0.00 O ATOM 178 CB ARG A 13 -19.685 27.915 -9.899 1.00 0.00 C ATOM 179 CG ARG A 13 -20.480 27.732 -8.617 1.00 0.00 C ATOM 180 CD ARG A 13 -21.751 28.566 -8.624 1.00 0.00 C ATOM 181 NE ARG A 13 -22.532 28.385 -7.404 1.00 0.00 N ATOM 182 CZ ARG A 13 -23.443 29.253 -6.979 1.00 0.00 C ATOM 183 NH1 ARG A 13 -23.686 30.357 -7.672 1.00 0.00 N ATOM 184 NH2 ARG A 13 -24.114 29.018 -5.858 1.00 0.00 N ATOM 0 H ARG A 13 -18.330 26.981 -7.763 1.00 0.00 H new ATOM 0 HA ARG A 13 -17.762 27.322 -10.650 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -19.864 28.917 -10.288 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.052 27.213 -10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -20.735 26.680 -8.493 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -19.864 28.013 -7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -21.493 29.619 -8.736 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -22.359 28.293 -9.487 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.369 27.546 -6.847 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -23.173 30.541 -8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.386 31.022 -7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -23.930 28.170 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -24.813 29.685 -5.533 1.00 0.00 H new ATOM 198 N PRO A 14 -17.357 29.888 -10.445 1.00 0.00 N ATOM 199 CA PRO A 14 -16.732 31.206 -10.307 1.00 0.00 C ATOM 200 C PRO A 14 -17.598 32.179 -9.514 1.00 0.00 C ATOM 201 O PRO A 14 -17.166 33.282 -9.183 1.00 0.00 O ATOM 202 CB PRO A 14 -16.581 31.681 -11.754 1.00 0.00 C ATOM 203 CG PRO A 14 -17.643 30.953 -12.504 1.00 0.00 C ATOM 204 CD PRO A 14 -17.786 29.617 -11.827 1.00 0.00 C ATOM 0 HA PRO A 14 -15.790 31.155 -9.761 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -16.710 32.760 -11.832 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.590 31.450 -12.145 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.583 31.504 -12.483 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -17.368 30.832 -13.552 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -18.813 29.255 -11.865 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.163 28.858 -12.300 1.00 0.00 H new ATOM 212 N GLY A 15 -18.824 31.762 -9.213 1.00 0.00 N ATOM 213 CA GLY A 15 -19.732 32.609 -8.461 1.00 0.00 C ATOM 214 C GLY A 15 -20.186 31.966 -7.166 1.00 0.00 C ATOM 215 O GLY A 15 -21.353 32.071 -6.787 1.00 0.00 O ATOM 0 H GLY A 15 -19.205 30.853 -9.476 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.241 33.557 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.603 32.837 -9.075 1.00 0.00 H new ATOM 219 N CYS A 16 -19.263 31.296 -6.484 1.00 0.00 N ATOM 220 CA CYS A 16 -19.574 30.631 -5.225 1.00 0.00 C ATOM 221 C CYS A 16 -18.508 30.930 -4.174 1.00 0.00 C ATOM 222 O CYS A 16 -17.378 30.447 -4.245 1.00 0.00 O ATOM 223 CB CYS A 16 -19.688 29.120 -5.436 1.00 0.00 C ATOM 224 SG CYS A 16 -19.992 28.176 -3.908 1.00 0.00 S ATOM 0 H CYS A 16 -18.293 31.199 -6.783 1.00 0.00 H new ATOM 0 HA CYS A 16 -20.530 31.014 -4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -20.497 28.922 -6.139 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.769 28.758 -5.897 1.00 0.00 H new ATOM 229 N PRO A 17 -18.875 31.745 -3.174 1.00 0.00 N ATOM 230 CA PRO A 17 -17.966 32.126 -2.089 1.00 0.00 C ATOM 231 C PRO A 17 -17.657 30.961 -1.156 1.00 0.00 C ATOM 232 O PRO A 17 -16.494 30.681 -0.861 1.00 0.00 O ATOM 233 CB PRO A 17 -18.740 33.217 -1.345 1.00 0.00 C ATOM 234 CG PRO A 17 -20.173 32.931 -1.636 1.00 0.00 C ATOM 235 CD PRO A 17 -20.206 32.357 -3.026 1.00 0.00 C ATOM 0 HA PRO A 17 -16.997 32.453 -2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.539 33.184 -0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -18.456 34.210 -1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.585 32.227 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.773 33.839 -1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.002 31.620 -3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.379 33.129 -3.776 1.00 0.00 H new ATOM 243 N TYR A 18 -18.703 30.285 -0.695 1.00 0.00 N ATOM 244 CA TYR A 18 -18.542 29.150 0.207 1.00 0.00 C ATOM 245 C TYR A 18 -17.608 28.104 -0.394 1.00 0.00 C ATOM 246 O TYR A 18 -16.993 27.317 0.326 1.00 0.00 O ATOM 247 CB TYR A 18 -19.902 28.520 0.514 1.00 0.00 C ATOM 248 CG TYR A 18 -20.952 29.521 0.939 1.00 0.00 C ATOM 249 CD1 TYR A 18 -20.739 30.361 2.025 1.00 0.00 C ATOM 250 CD2 TYR A 18 -22.156 29.627 0.255 1.00 0.00 C ATOM 251 CE1 TYR A 18 -21.696 31.277 2.418 1.00 0.00 C ATOM 252 CE2 TYR A 18 -23.118 30.541 0.639 1.00 0.00 C ATOM 253 CZ TYR A 18 -22.883 31.364 1.722 1.00 0.00 C ATOM 254 OH TYR A 18 -23.839 32.275 2.109 1.00 0.00 O ATOM 0 H TYR A 18 -19.671 30.503 -0.931 1.00 0.00 H new ATOM 0 HA TYR A 18 -18.100 29.515 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -20.255 27.990 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -19.779 27.778 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -19.810 30.297 2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -22.343 28.984 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -21.515 31.921 3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -24.048 30.611 0.095 1.00 0.00 H new ATOM 0 HH TYR A 18 -24.614 32.208 1.513 1.00 0.00 H new ATOM 264 N CYS A 19 -17.506 28.104 -1.719 1.00 0.00 N ATOM 265 CA CYS A 19 -16.647 27.156 -2.419 1.00 0.00 C ATOM 266 C CYS A 19 -15.175 27.509 -2.225 1.00 0.00 C ATOM 267 O CYS A 19 -14.372 26.666 -1.826 1.00 0.00 O ATOM 268 CB CYS A 19 -16.985 27.136 -3.911 1.00 0.00 C ATOM 269 SG CYS A 19 -18.671 26.556 -4.284 1.00 0.00 S ATOM 0 H CYS A 19 -18.007 28.750 -2.329 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.823 26.166 -1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.861 28.141 -4.314 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.270 26.495 -4.426 1.00 0.00 H new ATOM 274 N ALA A 20 -14.830 28.760 -2.508 1.00 0.00 N ATOM 275 CA ALA A 20 -13.456 29.226 -2.362 1.00 0.00 C ATOM 276 C ALA A 20 -12.908 28.892 -0.979 1.00 0.00 C ATOM 277 O ALA A 20 -11.755 28.484 -0.840 1.00 0.00 O ATOM 278 CB ALA A 20 -13.377 30.724 -2.616 1.00 0.00 C ATOM 0 H ALA A 20 -15.483 29.470 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.843 28.711 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.346 31.058 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.720 30.940 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.008 31.248 -1.899 1.00 0.00 H new ATOM 284 N ARG A 21 -13.741 29.069 0.041 1.00 0.00 N ATOM 285 CA ARG A 21 -13.338 28.788 1.414 1.00 0.00 C ATOM 286 C ARG A 21 -12.812 27.362 1.545 1.00 0.00 C ATOM 287 O ARG A 21 -11.724 27.138 2.074 1.00 0.00 O ATOM 288 CB ARG A 21 -14.517 28.998 2.367 1.00 0.00 C ATOM 289 CG ARG A 21 -14.616 30.413 2.911 1.00 0.00 C ATOM 290 CD ARG A 21 -13.404 30.771 3.757 1.00 0.00 C ATOM 291 NE ARG A 21 -13.759 31.626 4.887 1.00 0.00 N ATOM 292 CZ ARG A 21 -12.896 32.000 5.825 1.00 0.00 C ATOM 293 NH1 ARG A 21 -11.634 31.596 5.768 1.00 0.00 N ATOM 294 NH2 ARG A 21 -13.294 32.779 6.822 1.00 0.00 N ATOM 0 H ARG A 21 -14.699 29.406 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.537 29.478 1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.442 28.753 1.846 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.427 28.303 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.704 31.117 2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.521 30.511 3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.937 29.858 4.126 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.666 31.278 3.136 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.722 31.954 4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.324 30.997 5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.973 31.884 6.489 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.264 33.092 6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.630 33.065 7.542 1.00 0.00 H new ATOM 308 N ALA A 22 -13.592 26.401 1.061 1.00 0.00 N ATOM 309 CA ALA A 22 -13.204 24.998 1.123 1.00 0.00 C ATOM 310 C ALA A 22 -11.917 24.749 0.343 1.00 0.00 C ATOM 311 O ALA A 22 -11.015 24.059 0.817 1.00 0.00 O ATOM 312 CB ALA A 22 -14.324 24.117 0.590 1.00 0.00 C ATOM 0 H ALA A 22 -14.497 26.569 0.621 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.021 24.743 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.021 23.071 0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.221 24.265 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.534 24.383 -0.446 1.00 0.00 H new ATOM 318 N LYS A 23 -11.839 25.316 -0.857 1.00 0.00 N ATOM 319 CA LYS A 23 -10.662 25.157 -1.703 1.00 0.00 C ATOM 320 C LYS A 23 -9.414 25.685 -1.004 1.00 0.00 C ATOM 321 O LYS A 23 -8.435 24.959 -0.829 1.00 0.00 O ATOM 322 CB LYS A 23 -10.863 25.887 -3.033 1.00 0.00 C ATOM 323 CG LYS A 23 -11.980 25.307 -3.883 1.00 0.00 C ATOM 324 CD LYS A 23 -11.520 25.050 -5.308 1.00 0.00 C ATOM 325 CE LYS A 23 -11.000 26.320 -5.964 1.00 0.00 C ATOM 326 NZ LYS A 23 -11.524 26.483 -7.348 1.00 0.00 N ATOM 0 H LYS A 23 -12.577 25.890 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.525 24.093 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.078 26.937 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.932 25.855 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.330 24.375 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.826 25.994 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.736 24.293 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.349 24.651 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.287 27.183 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.911 26.296 -5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.829 26.999 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.694 25.547 -7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.416 27.017 -7.321 1.00 0.00 H new ATOM 340 N ALA A 24 -9.456 26.952 -0.605 1.00 0.00 N ATOM 341 CA ALA A 24 -8.329 27.575 0.078 1.00 0.00 C ATOM 342 C ALA A 24 -7.890 26.747 1.281 1.00 0.00 C ATOM 343 O ALA A 24 -6.710 26.426 1.430 1.00 0.00 O ATOM 344 CB ALA A 24 -8.691 28.988 0.512 1.00 0.00 C ATOM 0 H ALA A 24 -10.258 27.567 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.494 27.623 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.840 29.442 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.949 29.583 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.543 28.953 1.191 1.00 0.00 H new ATOM 350 N LEU A 25 -8.846 26.404 2.138 1.00 0.00 N ATOM 351 CA LEU A 25 -8.557 25.613 3.329 1.00 0.00 C ATOM 352 C LEU A 25 -7.867 24.304 2.960 1.00 0.00 C ATOM 353 O LEU A 25 -6.923 23.877 3.627 1.00 0.00 O ATOM 354 CB LEU A 25 -9.848 25.323 4.098 1.00 0.00 C ATOM 355 CG LEU A 25 -9.691 25.049 5.594 1.00 0.00 C ATOM 356 CD1 LEU A 25 -10.956 25.438 6.343 1.00 0.00 C ATOM 357 CD2 LEU A 25 -9.354 23.585 5.836 1.00 0.00 C ATOM 0 H LEU A 25 -9.827 26.661 2.030 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.884 26.190 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.520 26.172 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.334 24.461 3.640 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.869 25.657 5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.826 25.236 7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.153 26.500 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.797 24.857 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.246 23.409 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.155 22.958 5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.420 23.339 5.332 1.00 0.00 H new ATOM 369 N LEU A 26 -8.342 23.672 1.892 1.00 0.00 N ATOM 370 CA LEU A 26 -7.769 22.412 1.431 1.00 0.00 C ATOM 371 C LEU A 26 -6.334 22.609 0.952 1.00 0.00 C ATOM 372 O LEU A 26 -5.484 21.737 1.132 1.00 0.00 O ATOM 373 CB LEU A 26 -8.619 21.824 0.304 1.00 0.00 C ATOM 374 CG LEU A 26 -9.557 20.682 0.696 1.00 0.00 C ATOM 375 CD1 LEU A 26 -10.363 20.217 -0.507 1.00 0.00 C ATOM 376 CD2 LEU A 26 -8.768 19.524 1.290 1.00 0.00 C ATOM 0 H LEU A 26 -9.122 24.011 1.329 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.760 21.717 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.217 22.626 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.951 21.466 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.250 21.050 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.025 19.404 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.957 21.047 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.685 19.866 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.452 18.720 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.052 19.157 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.235 19.864 2.178 1.00 0.00 H new ATOM 388 N ALA A 27 -6.072 23.760 0.343 1.00 0.00 N ATOM 389 CA ALA A 27 -4.740 24.074 -0.158 1.00 0.00 C ATOM 390 C ALA A 27 -3.785 24.398 0.986 1.00 0.00 C ATOM 391 O ALA A 27 -2.571 24.234 0.860 1.00 0.00 O ATOM 392 CB ALA A 27 -4.804 25.235 -1.139 1.00 0.00 C ATOM 0 H ALA A 27 -6.765 24.491 0.184 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.359 23.195 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.802 25.458 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.445 24.967 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.211 26.113 -0.638 1.00 0.00 H new ATOM 398 N ARG A 28 -4.341 24.860 2.102 1.00 0.00 N ATOM 399 CA ARG A 28 -3.538 25.209 3.268 1.00 0.00 C ATOM 400 C ARG A 28 -2.599 24.066 3.643 1.00 0.00 C ATOM 401 O ARG A 28 -1.393 24.263 3.794 1.00 0.00 O ATOM 402 CB ARG A 28 -4.443 25.550 4.453 1.00 0.00 C ATOM 403 CG ARG A 28 -3.830 26.550 5.419 1.00 0.00 C ATOM 404 CD ARG A 28 -4.870 27.110 6.377 1.00 0.00 C ATOM 405 NE ARG A 28 -5.070 26.244 7.536 1.00 0.00 N ATOM 406 CZ ARG A 28 -4.257 26.223 8.586 1.00 0.00 C ATOM 407 NH1 ARG A 28 -3.195 27.016 8.623 1.00 0.00 N ATOM 408 NH2 ARG A 28 -4.505 25.407 9.603 1.00 0.00 N ATOM 0 H ARG A 28 -5.344 25.001 2.223 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.937 26.082 3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.384 25.951 4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.680 24.634 4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.034 26.068 5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.374 27.366 4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.558 28.099 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.816 27.236 5.851 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.878 25.621 7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.000 27.645 7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.573 26.997 9.431 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.321 24.795 9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.880 25.392 10.409 1.00 0.00 H new ATOM 422 N LYS A 29 -3.161 22.872 3.794 1.00 0.00 N ATOM 423 CA LYS A 29 -2.376 21.696 4.152 1.00 0.00 C ATOM 424 C LYS A 29 -1.504 21.248 2.983 1.00 0.00 C ATOM 425 O LYS A 29 -0.553 20.488 3.161 1.00 0.00 O ATOM 426 CB LYS A 29 -3.298 20.553 4.581 1.00 0.00 C ATOM 427 CG LYS A 29 -4.024 19.889 3.424 1.00 0.00 C ATOM 428 CD LYS A 29 -5.358 19.309 3.862 1.00 0.00 C ATOM 429 CE LYS A 29 -5.170 18.120 4.793 1.00 0.00 C ATOM 430 NZ LYS A 29 -5.126 18.536 6.222 1.00 0.00 N ATOM 0 H LYS A 29 -4.158 22.693 3.674 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.727 21.963 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.710 19.802 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.034 20.937 5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.186 20.617 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.401 19.097 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.943 20.078 4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.927 19.000 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.985 17.411 4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.246 17.601 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.419 17.740 6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.157 18.820 6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.771 19.338 6.370 1.00 0.00 H new ATOM 444 N GLY A 30 -1.833 21.727 1.787 1.00 0.00 N ATOM 445 CA GLY A 30 -1.069 21.365 0.607 1.00 0.00 C ATOM 446 C GLY A 30 -1.690 20.211 -0.154 1.00 0.00 C ATOM 447 O GLY A 30 -1.061 19.634 -1.041 1.00 0.00 O ATOM 0 H GLY A 30 -2.615 22.359 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.991 22.230 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.055 21.097 0.903 1.00 0.00 H new ATOM 451 N ALA A 31 -2.927 19.873 0.193 1.00 0.00 N ATOM 452 CA ALA A 31 -3.633 18.780 -0.465 1.00 0.00 C ATOM 453 C ALA A 31 -4.042 19.165 -1.883 1.00 0.00 C ATOM 454 O ALA A 31 -4.856 20.066 -2.080 1.00 0.00 O ATOM 455 CB ALA A 31 -4.855 18.376 0.347 1.00 0.00 C ATOM 0 H ALA A 31 -3.461 20.340 0.926 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.955 17.929 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.372 17.559 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.541 18.051 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.528 19.228 0.441 1.00 0.00 H new ATOM 461 N GLU A 32 -3.470 18.476 -2.866 1.00 0.00 N ATOM 462 CA GLU A 32 -3.774 18.749 -4.266 1.00 0.00 C ATOM 463 C GLU A 32 -5.117 18.139 -4.659 1.00 0.00 C ATOM 464 O GLU A 32 -5.455 17.032 -4.239 1.00 0.00 O ATOM 465 CB GLU A 32 -2.668 18.198 -5.168 1.00 0.00 C ATOM 466 CG GLU A 32 -2.691 16.685 -5.305 1.00 0.00 C ATOM 467 CD GLU A 32 -1.322 16.105 -5.606 1.00 0.00 C ATOM 468 OE1 GLU A 32 -0.545 16.765 -6.328 1.00 0.00 O ATOM 469 OE2 GLU A 32 -1.029 14.992 -5.122 1.00 0.00 O ATOM 0 H GLU A 32 -2.795 17.726 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.833 19.830 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.761 18.645 -6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.700 18.504 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.073 16.246 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.382 16.406 -6.100 1.00 0.00 H new ATOM 476 N PHE A 33 -5.878 18.870 -5.467 1.00 0.00 N ATOM 477 CA PHE A 33 -7.184 18.403 -5.916 1.00 0.00 C ATOM 478 C PHE A 33 -7.517 18.963 -7.296 1.00 0.00 C ATOM 479 O PHE A 33 -7.121 20.076 -7.638 1.00 0.00 O ATOM 480 CB PHE A 33 -8.267 18.810 -4.914 1.00 0.00 C ATOM 481 CG PHE A 33 -8.267 20.278 -4.595 1.00 0.00 C ATOM 482 CD1 PHE A 33 -8.741 21.200 -5.515 1.00 0.00 C ATOM 483 CD2 PHE A 33 -7.795 20.736 -3.376 1.00 0.00 C ATOM 484 CE1 PHE A 33 -8.742 22.551 -5.224 1.00 0.00 C ATOM 485 CE2 PHE A 33 -7.793 22.086 -3.080 1.00 0.00 C ATOM 486 CZ PHE A 33 -8.268 22.995 -4.005 1.00 0.00 C ATOM 0 H PHE A 33 -5.613 19.788 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.150 17.316 -5.983 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.243 18.533 -5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.128 18.246 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.114 20.859 -6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.424 20.030 -2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.113 23.259 -5.950 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.420 22.430 -2.126 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.269 24.050 -3.776 1.00 0.00 H new ATOM 496 N ASN A 34 -8.246 18.180 -8.085 1.00 0.00 N ATOM 497 CA ASN A 34 -8.632 18.596 -9.429 1.00 0.00 C ATOM 498 C ASN A 34 -9.811 19.563 -9.382 1.00 0.00 C ATOM 499 O ASN A 34 -10.899 19.207 -8.931 1.00 0.00 O ATOM 500 CB ASN A 34 -8.991 17.376 -10.279 1.00 0.00 C ATOM 501 CG ASN A 34 -8.707 17.595 -11.753 1.00 0.00 C ATOM 502 OD1 ASN A 34 -7.774 18.310 -12.117 1.00 0.00 O ATOM 503 ND2 ASN A 34 -9.514 16.978 -12.608 1.00 0.00 N ATOM 0 H ASN A 34 -8.581 17.255 -7.817 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.783 19.109 -9.882 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.426 16.513 -9.927 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.047 17.142 -10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.373 17.087 -13.612 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.275 16.395 -12.261 1.00 0.00 H new ATOM 510 N GLU A 35 -9.586 20.786 -9.852 1.00 0.00 N ATOM 511 CA GLU A 35 -10.631 21.803 -9.863 1.00 0.00 C ATOM 512 C GLU A 35 -11.491 21.686 -11.117 1.00 0.00 C ATOM 513 O GLU A 35 -10.984 21.747 -12.238 1.00 0.00 O ATOM 514 CB GLU A 35 -10.013 23.201 -9.783 1.00 0.00 C ATOM 515 CG GLU A 35 -11.013 24.322 -10.009 1.00 0.00 C ATOM 516 CD GLU A 35 -10.365 25.693 -9.998 1.00 0.00 C ATOM 517 OE1 GLU A 35 -9.159 25.776 -9.686 1.00 0.00 O ATOM 518 OE2 GLU A 35 -11.064 26.683 -10.300 1.00 0.00 O ATOM 0 H GLU A 35 -8.691 21.096 -10.230 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.267 21.644 -8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.551 23.329 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.217 23.280 -10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.515 24.169 -10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.780 24.281 -9.236 1.00 0.00 H new ATOM 525 N ILE A 36 -12.794 21.517 -10.920 1.00 0.00 N ATOM 526 CA ILE A 36 -13.725 21.391 -12.035 1.00 0.00 C ATOM 527 C ILE A 36 -14.943 22.288 -11.838 1.00 0.00 C ATOM 528 O ILE A 36 -15.406 22.485 -10.714 1.00 0.00 O ATOM 529 CB ILE A 36 -14.197 19.936 -12.214 1.00 0.00 C ATOM 530 CG1 ILE A 36 -12.997 19.011 -12.429 1.00 0.00 C ATOM 531 CG2 ILE A 36 -15.167 19.834 -13.380 1.00 0.00 C ATOM 532 CD1 ILE A 36 -13.380 17.562 -12.629 1.00 0.00 C ATOM 0 H ILE A 36 -13.229 21.464 -9.999 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.188 21.702 -12.931 1.00 0.00 H new ATOM 0 HB ILE A 36 -14.715 19.623 -11.308 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.436 19.353 -13.298 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.331 19.087 -11.569 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.492 18.800 -13.494 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -16.033 20.467 -13.189 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.673 20.162 -14.294 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.480 16.965 -12.775 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.915 17.202 -11.750 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.021 17.473 -13.506 1.00 0.00 H new ATOM 544 N ASP A 37 -15.457 22.827 -12.937 1.00 0.00 N ATOM 545 CA ASP A 37 -16.624 23.701 -12.886 1.00 0.00 C ATOM 546 C ASP A 37 -17.905 22.913 -13.144 1.00 0.00 C ATOM 547 O ASP A 37 -17.899 21.923 -13.875 1.00 0.00 O ATOM 548 CB ASP A 37 -16.489 24.828 -13.911 1.00 0.00 C ATOM 549 CG ASP A 37 -15.056 25.300 -14.067 1.00 0.00 C ATOM 550 OD1 ASP A 37 -14.409 25.580 -13.036 1.00 0.00 O ATOM 551 OD2 ASP A 37 -14.583 25.390 -15.219 1.00 0.00 O ATOM 0 H ASP A 37 -15.085 22.675 -13.874 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.680 24.134 -11.887 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.862 24.485 -14.876 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.114 25.668 -13.608 1.00 0.00 H new ATOM 556 N ALA A 38 -19.000 23.359 -12.538 1.00 0.00 N ATOM 557 CA ALA A 38 -20.288 22.697 -12.703 1.00 0.00 C ATOM 558 C ALA A 38 -21.281 23.601 -13.425 1.00 0.00 C ATOM 559 O ALA A 38 -22.091 23.134 -14.226 1.00 0.00 O ATOM 560 CB ALA A 38 -20.842 22.275 -11.350 1.00 0.00 C ATOM 0 H ALA A 38 -19.021 24.176 -11.928 1.00 0.00 H new ATOM 0 HA ALA A 38 -20.136 21.807 -13.314 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.804 21.782 -11.489 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -20.147 21.586 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -20.973 23.155 -10.720 1.00 0.00 H new ATOM 566 N SER A 39 -21.214 24.896 -13.136 1.00 0.00 N ATOM 567 CA SER A 39 -22.112 25.865 -13.754 1.00 0.00 C ATOM 568 C SER A 39 -21.906 25.909 -15.266 1.00 0.00 C ATOM 569 O SER A 39 -22.755 26.406 -16.005 1.00 0.00 O ATOM 570 CB SER A 39 -21.886 27.255 -13.157 1.00 0.00 C ATOM 571 OG SER A 39 -22.624 27.422 -11.959 1.00 0.00 O ATOM 0 H SER A 39 -20.547 25.299 -12.478 1.00 0.00 H new ATOM 0 HA SER A 39 -23.137 25.553 -13.553 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.824 27.400 -12.957 1.00 0.00 H new ATOM 0 HB3 SER A 39 -22.181 28.017 -13.879 1.00 0.00 H new ATOM 0 HG SER A 39 -22.590 28.361 -11.682 1.00 0.00 H new ATOM 577 N ALA A 40 -20.771 25.385 -15.717 1.00 0.00 N ATOM 578 CA ALA A 40 -20.453 25.361 -17.139 1.00 0.00 C ATOM 579 C ALA A 40 -21.601 24.770 -17.949 1.00 0.00 C ATOM 580 O ALA A 40 -21.914 25.243 -19.042 1.00 0.00 O ATOM 581 CB ALA A 40 -19.173 24.574 -17.381 1.00 0.00 C ATOM 0 H ALA A 40 -20.057 24.971 -15.118 1.00 0.00 H new ATOM 0 HA ALA A 40 -20.302 26.389 -17.469 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.948 24.564 -18.447 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -18.350 25.042 -16.841 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.303 23.551 -17.028 1.00 0.00 H new ATOM 587 N THR A 41 -22.228 23.730 -17.407 1.00 0.00 N ATOM 588 CA THR A 41 -23.340 23.072 -18.080 1.00 0.00 C ATOM 589 C THR A 41 -24.475 22.776 -17.106 1.00 0.00 C ATOM 590 O THR A 41 -24.283 22.718 -15.891 1.00 0.00 O ATOM 591 CB THR A 41 -22.895 21.756 -18.747 1.00 0.00 C ATOM 592 OG1 THR A 41 -21.755 21.222 -18.064 1.00 0.00 O ATOM 593 CG2 THR A 41 -22.555 21.981 -20.212 1.00 0.00 C ATOM 0 H THR A 41 -21.984 23.326 -16.503 1.00 0.00 H new ATOM 0 HA THR A 41 -23.694 23.759 -18.849 1.00 0.00 H new ATOM 0 HB THR A 41 -23.720 21.046 -18.686 1.00 0.00 H new ATOM 0 HG1 THR A 41 -21.662 20.270 -18.277 1.00 0.00 H new ATOM 0 HG21 THR A 41 -22.244 21.038 -20.662 1.00 0.00 H new ATOM 0 HG22 THR A 41 -23.433 22.360 -20.735 1.00 0.00 H new ATOM 0 HG23 THR A 41 -21.745 22.706 -20.290 1.00 0.00 H new ATOM 601 N PRO A 42 -25.686 22.583 -17.648 1.00 0.00 N ATOM 602 CA PRO A 42 -26.876 22.288 -16.843 1.00 0.00 C ATOM 603 C PRO A 42 -26.825 20.897 -16.221 1.00 0.00 C ATOM 604 O PRO A 42 -27.232 20.705 -15.076 1.00 0.00 O ATOM 605 CB PRO A 42 -28.020 22.380 -17.856 1.00 0.00 C ATOM 606 CG PRO A 42 -27.386 22.089 -19.172 1.00 0.00 C ATOM 607 CD PRO A 42 -25.988 22.637 -19.088 1.00 0.00 C ATOM 0 HA PRO A 42 -26.978 22.972 -16.000 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -28.808 21.662 -17.629 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -28.478 23.369 -17.847 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -27.374 21.017 -19.371 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -27.941 22.558 -19.985 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -25.286 22.038 -19.668 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -25.932 23.655 -19.472 1.00 0.00 H new ATOM 615 N GLU A 43 -26.322 19.931 -16.983 1.00 0.00 N ATOM 616 CA GLU A 43 -26.219 18.557 -16.505 1.00 0.00 C ATOM 617 C GLU A 43 -25.152 18.437 -15.421 1.00 0.00 C ATOM 618 O GLU A 43 -25.399 17.886 -14.348 1.00 0.00 O ATOM 619 CB GLU A 43 -25.893 17.613 -17.664 1.00 0.00 C ATOM 620 CG GLU A 43 -26.335 16.179 -17.425 1.00 0.00 C ATOM 621 CD GLU A 43 -25.498 15.175 -18.193 1.00 0.00 C ATOM 622 OE1 GLU A 43 -25.813 14.922 -19.375 1.00 0.00 O ATOM 623 OE2 GLU A 43 -24.529 14.642 -17.613 1.00 0.00 O ATOM 0 H GLU A 43 -25.980 20.074 -17.933 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.181 18.275 -16.077 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -26.371 17.985 -18.570 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -24.818 17.628 -17.842 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -26.275 15.957 -16.360 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -27.380 16.072 -17.714 1.00 0.00 H new ATOM 630 N LEU A 44 -23.963 18.957 -15.710 1.00 0.00 N ATOM 631 CA LEU A 44 -22.857 18.908 -14.761 1.00 0.00 C ATOM 632 C LEU A 44 -23.273 19.480 -13.409 1.00 0.00 C ATOM 633 O LEU A 44 -22.875 18.972 -12.360 1.00 0.00 O ATOM 634 CB LEU A 44 -21.656 19.683 -15.307 1.00 0.00 C ATOM 635 CG LEU A 44 -20.689 18.890 -16.187 1.00 0.00 C ATOM 636 CD1 LEU A 44 -19.576 19.789 -16.702 1.00 0.00 C ATOM 637 CD2 LEU A 44 -20.112 17.711 -15.416 1.00 0.00 C ATOM 0 H LEU A 44 -23.741 19.417 -16.593 1.00 0.00 H new ATOM 0 HA LEU A 44 -22.576 17.864 -14.622 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.027 20.531 -15.883 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.098 20.090 -14.464 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.241 18.503 -17.044 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.898 19.207 -17.326 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.006 20.599 -17.291 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.025 20.206 -15.859 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.426 17.158 -16.057 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -19.575 18.076 -14.540 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -20.921 17.054 -15.097 1.00 0.00 H new ATOM 649 N ARG A 45 -24.077 20.537 -13.442 1.00 0.00 N ATOM 650 CA ARG A 45 -24.548 21.177 -12.219 1.00 0.00 C ATOM 651 C ARG A 45 -25.785 20.467 -11.676 1.00 0.00 C ATOM 652 O ARG A 45 -26.055 20.501 -10.476 1.00 0.00 O ATOM 653 CB ARG A 45 -24.866 22.650 -12.480 1.00 0.00 C ATOM 654 CG ARG A 45 -25.127 23.450 -11.214 1.00 0.00 C ATOM 655 CD ARG A 45 -25.622 24.852 -11.532 1.00 0.00 C ATOM 656 NE ARG A 45 -27.070 24.892 -11.721 1.00 0.00 N ATOM 657 CZ ARG A 45 -27.706 25.896 -12.315 1.00 0.00 C ATOM 658 NH1 ARG A 45 -27.026 26.936 -12.776 1.00 0.00 N ATOM 659 NH2 ARG A 45 -29.026 25.859 -12.449 1.00 0.00 N ATOM 0 H ARG A 45 -24.416 20.969 -14.302 1.00 0.00 H new ATOM 0 HA ARG A 45 -23.755 21.110 -11.474 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -24.035 23.102 -13.021 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -25.740 22.715 -13.128 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -25.865 22.933 -10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -24.211 23.511 -10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -25.343 25.527 -10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -25.129 25.215 -12.434 1.00 0.00 H new ATOM 0 HE ARG A 45 -27.623 24.106 -11.378 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -26.011 26.967 -12.675 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -27.517 27.705 -13.232 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -29.552 25.060 -12.096 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -29.514 26.630 -12.905 1.00 0.00 H new ATOM 673 N ALA A 46 -26.533 19.825 -12.568 1.00 0.00 N ATOM 674 CA ALA A 46 -27.739 19.107 -12.178 1.00 0.00 C ATOM 675 C ALA A 46 -27.397 17.853 -11.380 1.00 0.00 C ATOM 676 O ALA A 46 -27.910 17.649 -10.280 1.00 0.00 O ATOM 677 CB ALA A 46 -28.558 18.744 -13.408 1.00 0.00 C ATOM 0 H ALA A 46 -26.324 19.788 -13.566 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.332 19.762 -11.540 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.456 18.208 -13.102 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.841 19.653 -13.938 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -27.964 18.110 -14.067 1.00 0.00 H new ATOM 683 N GLU A 47 -26.530 17.017 -11.941 1.00 0.00 N ATOM 684 CA GLU A 47 -26.122 15.783 -11.280 1.00 0.00 C ATOM 685 C GLU A 47 -25.449 16.079 -9.943 1.00 0.00 C ATOM 686 O GLU A 47 -25.560 15.302 -8.995 1.00 0.00 O ATOM 687 CB GLU A 47 -25.171 14.988 -12.178 1.00 0.00 C ATOM 688 CG GLU A 47 -23.936 15.767 -12.598 1.00 0.00 C ATOM 689 CD GLU A 47 -23.525 15.482 -14.029 1.00 0.00 C ATOM 690 OE1 GLU A 47 -24.421 15.300 -14.879 1.00 0.00 O ATOM 691 OE2 GLU A 47 -22.306 15.441 -14.298 1.00 0.00 O ATOM 0 H GLU A 47 -26.097 17.171 -12.851 1.00 0.00 H new ATOM 0 HA GLU A 47 -27.016 15.188 -11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -24.859 14.085 -11.653 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -25.709 14.669 -13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -24.128 16.834 -12.485 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -23.110 15.519 -11.931 1.00 0.00 H new ATOM 698 N MET A 48 -24.749 17.207 -9.876 1.00 0.00 N ATOM 699 CA MET A 48 -24.058 17.606 -8.656 1.00 0.00 C ATOM 700 C MET A 48 -25.038 18.189 -7.642 1.00 0.00 C ATOM 701 O MET A 48 -25.098 17.742 -6.497 1.00 0.00 O ATOM 702 CB MET A 48 -22.966 18.629 -8.973 1.00 0.00 C ATOM 703 CG MET A 48 -21.567 18.036 -8.999 1.00 0.00 C ATOM 704 SD MET A 48 -21.281 16.995 -10.443 1.00 0.00 S ATOM 705 CE MET A 48 -19.680 16.297 -10.045 1.00 0.00 C ATOM 0 H MET A 48 -24.646 17.860 -10.652 1.00 0.00 H new ATOM 0 HA MET A 48 -23.598 16.718 -8.222 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.177 19.085 -9.940 1.00 0.00 H new ATOM 0 HB3 MET A 48 -23.000 19.426 -8.231 1.00 0.00 H new ATOM 0 HG2 MET A 48 -20.834 18.843 -8.987 1.00 0.00 H new ATOM 0 HG3 MET A 48 -21.409 17.448 -8.095 1.00 0.00 H new ATOM 0 HE1 MET A 48 -19.134 16.092 -10.966 1.00 0.00 H new ATOM 0 HE2 MET A 48 -19.115 17.005 -9.438 1.00 0.00 H new ATOM 0 HE3 MET A 48 -19.816 15.369 -9.489 1.00 0.00 H new ATOM 715 N GLN A 49 -25.803 19.187 -8.071 1.00 0.00 N ATOM 716 CA GLN A 49 -26.779 19.831 -7.200 1.00 0.00 C ATOM 717 C GLN A 49 -27.857 18.843 -6.767 1.00 0.00 C ATOM 718 O GLN A 49 -28.528 19.047 -5.756 1.00 0.00 O ATOM 719 CB GLN A 49 -27.419 21.025 -7.910 1.00 0.00 C ATOM 720 CG GLN A 49 -28.490 20.632 -8.915 1.00 0.00 C ATOM 721 CD GLN A 49 -28.850 21.763 -9.857 1.00 0.00 C ATOM 722 OE1 GLN A 49 -28.205 21.958 -10.888 1.00 0.00 O ATOM 723 NE2 GLN A 49 -29.886 22.518 -9.508 1.00 0.00 N ATOM 0 H GLN A 49 -25.766 19.567 -9.017 1.00 0.00 H new ATOM 0 HA GLN A 49 -26.257 20.184 -6.310 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -27.858 21.688 -7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -26.642 21.592 -8.423 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -28.142 19.778 -9.496 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -29.384 20.311 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -30.393 22.321 -8.645 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -30.175 23.294 -10.103 1.00 0.00 H new ATOM 732 N GLU A 50 -28.017 17.773 -7.540 1.00 0.00 N ATOM 733 CA GLU A 50 -29.016 16.755 -7.236 1.00 0.00 C ATOM 734 C GLU A 50 -28.597 15.927 -6.024 1.00 0.00 C ATOM 735 O GLU A 50 -29.435 15.338 -5.342 1.00 0.00 O ATOM 736 CB GLU A 50 -29.227 15.840 -8.444 1.00 0.00 C ATOM 737 CG GLU A 50 -30.088 14.624 -8.143 1.00 0.00 C ATOM 738 CD GLU A 50 -31.394 14.988 -7.464 1.00 0.00 C ATOM 739 OE1 GLU A 50 -31.967 16.043 -7.806 1.00 0.00 O ATOM 740 OE2 GLU A 50 -31.843 14.216 -6.591 1.00 0.00 O ATOM 0 H GLU A 50 -27.468 17.589 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 50 -29.954 17.260 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -29.690 16.413 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -28.256 15.506 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -30.301 14.095 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -29.531 13.937 -7.506 1.00 0.00 H new ATOM 747 N ARG A 51 -27.294 15.888 -5.763 1.00 0.00 N ATOM 748 CA ARG A 51 -26.764 15.132 -4.635 1.00 0.00 C ATOM 749 C ARG A 51 -26.891 15.927 -3.339 1.00 0.00 C ATOM 750 O ARG A 51 -27.139 15.362 -2.274 1.00 0.00 O ATOM 751 CB ARG A 51 -25.298 14.769 -4.882 1.00 0.00 C ATOM 752 CG ARG A 51 -25.093 13.827 -6.056 1.00 0.00 C ATOM 753 CD ARG A 51 -23.627 13.742 -6.453 1.00 0.00 C ATOM 754 NE ARG A 51 -23.239 12.385 -6.826 1.00 0.00 N ATOM 755 CZ ARG A 51 -23.579 11.812 -7.976 1.00 0.00 C ATOM 756 NH1 ARG A 51 -24.311 12.476 -8.859 1.00 0.00 N ATOM 757 NH2 ARG A 51 -23.187 10.573 -8.243 1.00 0.00 N ATOM 0 H ARG A 51 -26.587 16.371 -6.317 1.00 0.00 H new ATOM 0 HA ARG A 51 -27.347 14.216 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -24.731 15.683 -5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -24.890 14.309 -3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -25.459 12.834 -5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -25.682 14.170 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -23.438 14.416 -7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -23.007 14.081 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 51 -22.676 11.847 -6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -24.614 13.429 -8.657 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -24.571 12.035 -9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -22.624 10.059 -7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -23.449 10.134 -9.126 1.00 0.00 H new ATOM 771 N SER A 52 -26.719 17.242 -3.438 1.00 0.00 N ATOM 772 CA SER A 52 -26.810 18.114 -2.273 1.00 0.00 C ATOM 773 C SER A 52 -28.261 18.493 -1.991 1.00 0.00 C ATOM 774 O SER A 52 -28.671 18.605 -0.836 1.00 0.00 O ATOM 775 CB SER A 52 -25.974 19.377 -2.489 1.00 0.00 C ATOM 776 OG SER A 52 -25.207 19.684 -1.338 1.00 0.00 O ATOM 0 H SER A 52 -26.516 17.726 -4.313 1.00 0.00 H new ATOM 0 HA SER A 52 -26.420 17.572 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 52 -25.312 19.237 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 52 -26.630 20.215 -2.727 1.00 0.00 H new ATOM 0 HG SER A 52 -24.317 19.990 -1.610 1.00 0.00 H new ATOM 782 N GLY A 53 -29.033 18.689 -3.055 1.00 0.00 N ATOM 783 CA GLY A 53 -30.429 19.053 -2.901 1.00 0.00 C ATOM 784 C GLY A 53 -30.622 20.544 -2.708 1.00 0.00 C ATOM 785 O GLY A 53 -31.502 20.971 -1.961 1.00 0.00 O ATOM 0 H GLY A 53 -28.717 18.602 -4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -30.985 18.729 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -30.847 18.522 -2.046 1.00 0.00 H new ATOM 789 N ARG A 54 -29.795 21.338 -3.381 1.00 0.00 N ATOM 790 CA ARG A 54 -29.877 22.790 -3.277 1.00 0.00 C ATOM 791 C ARG A 54 -29.402 23.455 -4.565 1.00 0.00 C ATOM 792 O ARG A 54 -28.950 22.784 -5.492 1.00 0.00 O ATOM 793 CB ARG A 54 -29.040 23.286 -2.096 1.00 0.00 C ATOM 794 CG ARG A 54 -29.565 22.832 -0.744 1.00 0.00 C ATOM 795 CD ARG A 54 -30.924 23.443 -0.441 1.00 0.00 C ATOM 796 NE ARG A 54 -31.453 22.991 0.843 1.00 0.00 N ATOM 797 CZ ARG A 54 -32.730 23.102 1.192 1.00 0.00 C ATOM 798 NH1 ARG A 54 -33.604 23.646 0.357 1.00 0.00 N ATOM 799 NH2 ARG A 54 -33.135 22.668 2.379 1.00 0.00 N ATOM 0 H ARG A 54 -29.061 21.000 -4.004 1.00 0.00 H new ATOM 0 HA ARG A 54 -30.920 23.059 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -28.015 22.934 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -29.008 24.375 -2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -29.642 21.745 -0.729 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -28.857 23.112 0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -30.840 24.530 -0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -31.624 23.181 -1.234 1.00 0.00 H new ATOM 0 HE ARG A 54 -30.807 22.567 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -33.297 23.981 -0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -34.584 23.730 0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -32.466 22.249 3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -34.116 22.754 2.646 1.00 0.00 H new ATOM 813 N ASN A 55 -29.509 24.779 -4.616 1.00 0.00 N ATOM 814 CA ASN A 55 -29.092 25.535 -5.791 1.00 0.00 C ATOM 815 C ASN A 55 -27.739 25.046 -6.301 1.00 0.00 C ATOM 816 O ASN A 55 -27.658 24.360 -7.320 1.00 0.00 O ATOM 817 CB ASN A 55 -29.017 27.028 -5.463 1.00 0.00 C ATOM 818 CG ASN A 55 -28.640 27.283 -4.017 1.00 0.00 C ATOM 819 OD1 ASN A 55 -29.447 27.085 -3.109 1.00 0.00 O ATOM 820 ND2 ASN A 55 -27.408 27.727 -3.796 1.00 0.00 N ATOM 0 H ASN A 55 -29.881 25.350 -3.857 1.00 0.00 H new ATOM 0 HA ASN A 55 -29.834 25.379 -6.574 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -28.286 27.504 -6.116 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -29.981 27.492 -5.672 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -27.098 27.918 -2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -26.772 27.877 -4.579 1.00 0.00 H new ATOM 827 N THR A 56 -26.678 25.404 -5.584 1.00 0.00 N ATOM 828 CA THR A 56 -25.329 25.003 -5.962 1.00 0.00 C ATOM 829 C THR A 56 -24.371 25.113 -4.782 1.00 0.00 C ATOM 830 O THR A 56 -24.362 26.116 -4.068 1.00 0.00 O ATOM 831 CB THR A 56 -24.794 25.859 -7.125 1.00 0.00 C ATOM 832 OG1 THR A 56 -25.885 26.388 -7.886 1.00 0.00 O ATOM 833 CG2 THR A 56 -23.888 25.038 -8.030 1.00 0.00 C ATOM 0 H THR A 56 -26.728 25.971 -4.738 1.00 0.00 H new ATOM 0 HA THR A 56 -25.387 23.963 -6.283 1.00 0.00 H new ATOM 0 HB THR A 56 -24.213 26.680 -6.705 1.00 0.00 H new ATOM 0 HG1 THR A 56 -25.536 26.932 -8.623 1.00 0.00 H new ATOM 0 HG21 THR A 56 -23.523 25.664 -8.844 1.00 0.00 H new ATOM 0 HG22 THR A 56 -23.043 24.662 -7.454 1.00 0.00 H new ATOM 0 HG23 THR A 56 -24.449 24.199 -8.442 1.00 0.00 H new ATOM 841 N PHE A 57 -23.565 24.076 -4.581 1.00 0.00 N ATOM 842 CA PHE A 57 -22.602 24.056 -3.486 1.00 0.00 C ATOM 843 C PHE A 57 -21.329 23.320 -3.894 1.00 0.00 C ATOM 844 O PHE A 57 -21.304 22.562 -4.863 1.00 0.00 O ATOM 845 CB PHE A 57 -23.216 23.392 -2.251 1.00 0.00 C ATOM 846 CG PHE A 57 -22.839 21.946 -2.099 1.00 0.00 C ATOM 847 CD1 PHE A 57 -23.165 21.025 -3.082 1.00 0.00 C ATOM 848 CD2 PHE A 57 -22.159 21.508 -0.975 1.00 0.00 C ATOM 849 CE1 PHE A 57 -22.821 19.693 -2.944 1.00 0.00 C ATOM 850 CE2 PHE A 57 -21.812 20.178 -0.832 1.00 0.00 C ATOM 851 CZ PHE A 57 -22.142 19.269 -1.818 1.00 0.00 C ATOM 0 H PHE A 57 -23.559 23.238 -5.162 1.00 0.00 H new ATOM 0 HA PHE A 57 -22.342 25.087 -3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -22.901 23.937 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -24.302 23.472 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -23.694 21.351 -3.965 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -21.897 22.214 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -23.083 18.984 -3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -21.283 19.850 0.050 1.00 0.00 H new ATOM 0 HZ PHE A 57 -21.870 18.230 -1.709 1.00 0.00 H new ATOM 861 N PRO A 58 -20.246 23.549 -3.136 1.00 0.00 N ATOM 862 CA PRO A 58 -18.949 22.918 -3.399 1.00 0.00 C ATOM 863 C PRO A 58 -18.962 21.422 -3.102 1.00 0.00 C ATOM 864 O PRO A 58 -19.339 21.001 -2.009 1.00 0.00 O ATOM 865 CB PRO A 58 -18.001 23.645 -2.442 1.00 0.00 C ATOM 866 CG PRO A 58 -18.875 24.127 -1.336 1.00 0.00 C ATOM 867 CD PRO A 58 -20.204 24.441 -1.966 1.00 0.00 C ATOM 0 HA PRO A 58 -18.662 22.997 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.225 22.976 -2.070 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.497 24.474 -2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.980 23.367 -0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.450 25.011 -0.860 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -21.029 24.245 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -20.273 25.489 -2.257 1.00 0.00 H new ATOM 875 N GLN A 59 -18.547 20.626 -4.082 1.00 0.00 N ATOM 876 CA GLN A 59 -18.511 19.177 -3.924 1.00 0.00 C ATOM 877 C GLN A 59 -17.077 18.679 -3.784 1.00 0.00 C ATOM 878 O GLN A 59 -16.212 19.014 -4.594 1.00 0.00 O ATOM 879 CB GLN A 59 -19.186 18.496 -5.117 1.00 0.00 C ATOM 880 CG GLN A 59 -20.599 18.017 -4.825 1.00 0.00 C ATOM 881 CD GLN A 59 -21.639 18.712 -5.682 1.00 0.00 C ATOM 882 OE1 GLN A 59 -22.551 18.074 -6.210 1.00 0.00 O ATOM 883 NE2 GLN A 59 -21.507 20.025 -5.826 1.00 0.00 N ATOM 0 H GLN A 59 -18.231 20.960 -4.993 1.00 0.00 H new ATOM 0 HA GLN A 59 -19.054 18.923 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.213 19.193 -5.955 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -18.580 17.645 -5.430 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -20.656 16.941 -4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -20.827 18.189 -3.773 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.736 20.513 -5.370 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -22.177 20.546 -6.392 1.00 0.00 H new ATOM 892 N ILE A 60 -16.831 17.879 -2.752 1.00 0.00 N ATOM 893 CA ILE A 60 -15.501 17.335 -2.508 1.00 0.00 C ATOM 894 C ILE A 60 -15.497 15.815 -2.631 1.00 0.00 C ATOM 895 O ILE A 60 -15.912 15.106 -1.714 1.00 0.00 O ATOM 896 CB ILE A 60 -14.981 17.727 -1.112 1.00 0.00 C ATOM 897 CG1 ILE A 60 -14.625 19.215 -1.076 1.00 0.00 C ATOM 898 CG2 ILE A 60 -13.774 16.879 -0.739 1.00 0.00 C ATOM 899 CD1 ILE A 60 -15.832 20.124 -1.012 1.00 0.00 C ATOM 0 H ILE A 60 -17.535 17.593 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.842 17.760 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.769 17.543 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.989 19.407 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -14.041 19.462 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.418 17.168 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.058 15.827 -0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.980 17.034 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -15.504 21.163 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.458 19.960 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -16.405 19.905 -0.111 1.00 0.00 H new ATOM 911 N PHE A 61 -15.025 15.321 -3.770 1.00 0.00 N ATOM 912 CA PHE A 61 -14.966 13.884 -4.013 1.00 0.00 C ATOM 913 C PHE A 61 -13.591 13.328 -3.654 1.00 0.00 C ATOM 914 O PHE A 61 -12.593 13.642 -4.304 1.00 0.00 O ATOM 915 CB PHE A 61 -15.284 13.580 -5.479 1.00 0.00 C ATOM 916 CG PHE A 61 -16.527 14.263 -5.976 1.00 0.00 C ATOM 917 CD1 PHE A 61 -17.749 14.038 -5.363 1.00 0.00 C ATOM 918 CD2 PHE A 61 -16.472 15.129 -7.055 1.00 0.00 C ATOM 919 CE1 PHE A 61 -18.893 14.664 -5.819 1.00 0.00 C ATOM 920 CE2 PHE A 61 -17.613 15.759 -7.516 1.00 0.00 C ATOM 921 CZ PHE A 61 -18.825 15.526 -6.896 1.00 0.00 C ATOM 0 H PHE A 61 -14.678 15.894 -4.539 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.711 13.402 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -14.439 13.885 -6.097 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -15.397 12.503 -5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -17.808 13.366 -4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -15.526 15.315 -7.542 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -19.840 14.479 -5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -17.557 16.432 -8.359 1.00 0.00 H new ATOM 0 HZ PHE A 61 -19.718 16.017 -7.253 1.00 0.00 H new ATOM 931 N ILE A 62 -13.547 12.500 -2.616 1.00 0.00 N ATOM 932 CA ILE A 62 -12.296 11.900 -2.170 1.00 0.00 C ATOM 933 C ILE A 62 -12.326 10.383 -2.330 1.00 0.00 C ATOM 934 O ILE A 62 -13.104 9.695 -1.671 1.00 0.00 O ATOM 935 CB ILE A 62 -11.999 12.244 -0.699 1.00 0.00 C ATOM 936 CG1 ILE A 62 -11.840 13.756 -0.528 1.00 0.00 C ATOM 937 CG2 ILE A 62 -10.747 11.518 -0.228 1.00 0.00 C ATOM 938 CD1 ILE A 62 -11.514 14.173 0.889 1.00 0.00 C ATOM 0 H ILE A 62 -14.364 12.229 -2.068 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.507 12.314 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.839 11.914 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.051 14.108 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.761 14.248 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.550 11.771 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.895 10.442 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.898 11.820 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.416 15.258 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.314 13.852 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.577 13.710 1.198 1.00 0.00 H new ATOM 950 N GLY A 63 -11.472 9.869 -3.210 1.00 0.00 N ATOM 951 CA GLY A 63 -11.416 8.437 -3.439 1.00 0.00 C ATOM 952 C GLY A 63 -12.695 7.897 -4.046 1.00 0.00 C ATOM 953 O GLY A 63 -12.978 8.126 -5.222 1.00 0.00 O ATOM 0 H GLY A 63 -10.818 10.418 -3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.580 8.210 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.223 7.928 -2.495 1.00 0.00 H new ATOM 957 N SER A 64 -13.471 7.175 -3.243 1.00 0.00 N ATOM 958 CA SER A 64 -14.725 6.596 -3.710 1.00 0.00 C ATOM 959 C SER A 64 -15.899 7.094 -2.872 1.00 0.00 C ATOM 960 O SER A 64 -17.004 6.557 -2.950 1.00 0.00 O ATOM 961 CB SER A 64 -14.657 5.068 -3.655 1.00 0.00 C ATOM 962 OG SER A 64 -15.659 4.483 -4.468 1.00 0.00 O ATOM 0 H SER A 64 -13.253 6.977 -2.266 1.00 0.00 H new ATOM 0 HA SER A 64 -14.879 6.909 -4.743 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.674 4.733 -3.986 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.778 4.732 -2.625 1.00 0.00 H new ATOM 0 HG SER A 64 -16.517 4.926 -4.300 1.00 0.00 H new ATOM 968 N VAL A 65 -15.650 8.125 -2.071 1.00 0.00 N ATOM 969 CA VAL A 65 -16.686 8.697 -1.218 1.00 0.00 C ATOM 970 C VAL A 65 -16.864 10.186 -1.495 1.00 0.00 C ATOM 971 O VAL A 65 -15.924 10.869 -1.904 1.00 0.00 O ATOM 972 CB VAL A 65 -16.358 8.499 0.273 1.00 0.00 C ATOM 973 CG1 VAL A 65 -17.543 8.899 1.139 1.00 0.00 C ATOM 974 CG2 VAL A 65 -15.952 7.058 0.542 1.00 0.00 C ATOM 0 H VAL A 65 -14.741 8.581 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 65 -17.613 8.173 -1.450 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.517 9.143 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -17.292 8.752 2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -17.782 9.948 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -18.405 8.284 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -15.724 6.936 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -16.770 6.392 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -15.071 6.812 -0.050 1.00 0.00 H new ATOM 984 N HIS A 66 -18.076 10.683 -1.269 1.00 0.00 N ATOM 985 CA HIS A 66 -18.377 12.093 -1.492 1.00 0.00 C ATOM 986 C HIS A 66 -18.392 12.861 -0.174 1.00 0.00 C ATOM 987 O HIS A 66 -19.381 12.838 0.558 1.00 0.00 O ATOM 988 CB HIS A 66 -19.725 12.242 -2.198 1.00 0.00 C ATOM 989 CG HIS A 66 -20.137 13.666 -2.408 1.00 0.00 C ATOM 990 ND1 HIS A 66 -21.453 14.058 -2.539 1.00 0.00 N ATOM 991 CD2 HIS A 66 -19.399 14.796 -2.508 1.00 0.00 C ATOM 992 CE1 HIS A 66 -21.506 15.366 -2.712 1.00 0.00 C ATOM 993 NE2 HIS A 66 -20.272 15.838 -2.697 1.00 0.00 N ATOM 0 H HIS A 66 -18.865 10.131 -0.932 1.00 0.00 H new ATOM 0 HA HIS A 66 -17.595 12.510 -2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -19.677 11.740 -3.164 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -20.491 11.733 -1.612 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -22.260 13.435 -2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -18.323 14.865 -2.450 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -22.405 15.950 -2.843 1.00 0.00 H new ATOM 1001 N VAL A 67 -17.289 13.541 0.122 1.00 0.00 N ATOM 1002 CA VAL A 67 -17.176 14.316 1.351 1.00 0.00 C ATOM 1003 C VAL A 67 -18.362 15.259 1.518 1.00 0.00 C ATOM 1004 O VAL A 67 -19.283 14.984 2.286 1.00 0.00 O ATOM 1005 CB VAL A 67 -15.873 15.138 1.378 1.00 0.00 C ATOM 1006 CG1 VAL A 67 -15.851 16.064 2.585 1.00 0.00 C ATOM 1007 CG2 VAL A 67 -14.662 14.218 1.379 1.00 0.00 C ATOM 0 H VAL A 67 -16.461 13.571 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 67 -17.165 13.602 2.175 1.00 0.00 H new ATOM 0 HB VAL A 67 -15.833 15.752 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -14.923 16.636 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -16.699 16.747 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -15.915 15.473 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.751 14.816 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.693 13.576 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.673 13.602 0.480 1.00 0.00 H new ATOM 1017 N GLY A 68 -18.334 16.372 0.792 1.00 0.00 N ATOM 1018 CA GLY A 68 -19.413 17.339 0.873 1.00 0.00 C ATOM 1019 C GLY A 68 -19.014 18.700 0.338 1.00 0.00 C ATOM 1020 O GLY A 68 -18.606 18.825 -0.816 1.00 0.00 O ATOM 0 H GLY A 68 -17.583 16.622 0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -20.271 16.969 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -19.730 17.439 1.911 1.00 0.00 H new ATOM 1024 N GLY A 69 -19.134 19.723 1.178 1.00 0.00 N ATOM 1025 CA GLY A 69 -18.781 21.068 0.764 1.00 0.00 C ATOM 1026 C GLY A 69 -18.103 21.856 1.868 1.00 0.00 C ATOM 1027 O GLY A 69 -17.256 21.325 2.588 1.00 0.00 O ATOM 0 H GLY A 69 -19.469 19.644 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -18.119 21.017 -0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.681 21.595 0.446 1.00 0.00 H new ATOM 1031 N CYS A 70 -18.474 23.124 2.001 1.00 0.00 N ATOM 1032 CA CYS A 70 -17.894 23.987 3.024 1.00 0.00 C ATOM 1033 C CYS A 70 -18.211 23.464 4.421 1.00 0.00 C ATOM 1034 O CYS A 70 -17.386 23.554 5.331 1.00 0.00 O ATOM 1035 CB CYS A 70 -18.417 25.416 2.871 1.00 0.00 C ATOM 1036 SG CYS A 70 -20.220 25.550 2.894 1.00 0.00 S ATOM 0 H CYS A 70 -19.174 23.578 1.414 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.812 23.987 2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -18.008 26.029 3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -18.045 25.829 1.933 1.00 0.00 H new ATOM 0 HG CYS A 70 -20.561 26.794 3.059 1.00 0.00 H new ATOM 1042 N ASP A 71 -19.411 22.918 4.584 1.00 0.00 N ATOM 1043 CA ASP A 71 -19.838 22.380 5.871 1.00 0.00 C ATOM 1044 C ASP A 71 -19.058 21.116 6.217 1.00 0.00 C ATOM 1045 O ASP A 71 -18.522 20.987 7.318 1.00 0.00 O ATOM 1046 CB ASP A 71 -21.338 22.079 5.850 1.00 0.00 C ATOM 1047 CG ASP A 71 -21.864 21.667 7.210 1.00 0.00 C ATOM 1048 OD1 ASP A 71 -21.095 21.739 8.191 1.00 0.00 O ATOM 1049 OD2 ASP A 71 -23.046 21.270 7.294 1.00 0.00 O ATOM 0 H ASP A 71 -20.105 22.836 3.841 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.637 23.130 6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.878 22.961 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.536 21.284 5.131 1.00 0.00 H new ATOM 1054 N ASP A 72 -18.999 20.185 5.271 1.00 0.00 N ATOM 1055 CA ASP A 72 -18.285 18.930 5.475 1.00 0.00 C ATOM 1056 C ASP A 72 -16.785 19.174 5.604 1.00 0.00 C ATOM 1057 O ASP A 72 -16.108 18.535 6.411 1.00 0.00 O ATOM 1058 CB ASP A 72 -18.561 17.968 4.319 1.00 0.00 C ATOM 1059 CG ASP A 72 -19.947 17.357 4.393 1.00 0.00 C ATOM 1060 OD1 ASP A 72 -20.918 18.041 4.007 1.00 0.00 O ATOM 1061 OD2 ASP A 72 -20.060 16.195 4.835 1.00 0.00 O ATOM 0 H ASP A 72 -19.437 20.276 4.355 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.643 18.483 6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -18.451 18.499 3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -17.816 17.173 4.326 1.00 0.00 H new ATOM 1066 N LEU A 73 -16.270 20.101 4.803 1.00 0.00 N ATOM 1067 CA LEU A 73 -14.849 20.429 4.826 1.00 0.00 C ATOM 1068 C LEU A 73 -14.456 21.054 6.160 1.00 0.00 C ATOM 1069 O LEU A 73 -13.431 20.701 6.745 1.00 0.00 O ATOM 1070 CB LEU A 73 -14.507 21.384 3.681 1.00 0.00 C ATOM 1071 CG LEU A 73 -13.020 21.557 3.372 1.00 0.00 C ATOM 1072 CD1 LEU A 73 -12.356 22.440 4.417 1.00 0.00 C ATOM 1073 CD2 LEU A 73 -12.330 20.202 3.300 1.00 0.00 C ATOM 0 H LEU A 73 -16.816 20.639 4.130 1.00 0.00 H new ATOM 0 HA LEU A 73 -14.286 19.504 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.006 21.031 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.925 22.363 3.914 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.924 22.044 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.298 22.551 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.832 23.420 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.461 21.982 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.272 20.344 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.436 19.689 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.788 19.602 2.513 1.00 0.00 H new ATOM 1085 N TYR A 74 -15.277 21.982 6.637 1.00 0.00 N ATOM 1086 CA TYR A 74 -15.016 22.657 7.903 1.00 0.00 C ATOM 1087 C TYR A 74 -15.223 21.708 9.079 1.00 0.00 C ATOM 1088 O TYR A 74 -14.542 21.808 10.100 1.00 0.00 O ATOM 1089 CB TYR A 74 -15.925 23.878 8.052 1.00 0.00 C ATOM 1090 CG TYR A 74 -15.332 25.148 7.485 1.00 0.00 C ATOM 1091 CD1 TYR A 74 -14.538 25.118 6.345 1.00 0.00 C ATOM 1092 CD2 TYR A 74 -15.563 26.377 8.090 1.00 0.00 C ATOM 1093 CE1 TYR A 74 -13.993 26.276 5.824 1.00 0.00 C ATOM 1094 CE2 TYR A 74 -15.024 27.540 7.576 1.00 0.00 C ATOM 1095 CZ TYR A 74 -14.239 27.484 6.443 1.00 0.00 C ATOM 1096 OH TYR A 74 -13.699 28.640 5.928 1.00 0.00 O ATOM 0 H TYR A 74 -16.130 22.285 6.166 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.976 22.985 7.903 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -16.874 23.677 7.555 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -16.145 24.030 9.109 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -14.344 24.174 5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -16.175 26.424 8.978 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.378 26.236 4.937 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -15.216 28.487 8.058 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.970 29.402 6.481 1.00 0.00 H new ATOM 1106 N ALA A 75 -16.168 20.786 8.928 1.00 0.00 N ATOM 1107 CA ALA A 75 -16.464 19.816 9.975 1.00 0.00 C ATOM 1108 C ALA A 75 -15.381 18.746 10.055 1.00 0.00 C ATOM 1109 O ALA A 75 -15.071 18.241 11.135 1.00 0.00 O ATOM 1110 CB ALA A 75 -17.823 19.177 9.733 1.00 0.00 C ATOM 0 H ALA A 75 -16.742 20.690 8.090 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.487 20.344 10.928 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.031 18.455 10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.593 19.948 9.735 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.820 18.669 8.768 1.00 0.00 H new ATOM 1116 N LEU A 76 -14.807 18.405 8.906 1.00 0.00 N ATOM 1117 CA LEU A 76 -13.757 17.394 8.846 1.00 0.00 C ATOM 1118 C LEU A 76 -12.418 17.972 9.292 1.00 0.00 C ATOM 1119 O LEU A 76 -11.730 17.392 10.132 1.00 0.00 O ATOM 1120 CB LEU A 76 -13.638 16.837 7.426 1.00 0.00 C ATOM 1121 CG LEU A 76 -14.599 15.704 7.067 1.00 0.00 C ATOM 1122 CD1 LEU A 76 -13.921 14.354 7.240 1.00 0.00 C ATOM 1123 CD2 LEU A 76 -15.859 15.782 7.917 1.00 0.00 C ATOM 0 H LEU A 76 -15.051 18.814 8.004 1.00 0.00 H new ATOM 0 HA LEU A 76 -14.027 16.585 9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.793 17.655 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.618 16.481 7.281 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.884 15.814 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.620 13.560 6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -13.050 14.298 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.606 14.235 8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -16.531 14.967 7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.593 15.699 8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -16.357 16.736 7.743 1.00 0.00 H new ATOM 1135 N GLU A 77 -12.056 19.118 8.725 1.00 0.00 N ATOM 1136 CA GLU A 77 -10.800 19.775 9.066 1.00 0.00 C ATOM 1137 C GLU A 77 -10.710 20.032 10.568 1.00 0.00 C ATOM 1138 O GLU A 77 -9.622 20.036 11.144 1.00 0.00 O ATOM 1139 CB GLU A 77 -10.664 21.094 8.303 1.00 0.00 C ATOM 1140 CG GLU A 77 -11.498 22.223 8.886 1.00 0.00 C ATOM 1141 CD GLU A 77 -10.732 23.050 9.900 1.00 0.00 C ATOM 1142 OE1 GLU A 77 -9.536 23.319 9.664 1.00 0.00 O ATOM 1143 OE2 GLU A 77 -11.329 23.428 10.930 1.00 0.00 O ATOM 0 H GLU A 77 -12.614 19.611 8.028 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.984 19.112 8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.616 21.394 8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.957 20.936 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.841 22.871 8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.387 21.806 9.360 1.00 0.00 H new ATOM 1150 N ASP A 78 -11.861 20.247 11.195 1.00 0.00 N ATOM 1151 CA ASP A 78 -11.914 20.505 12.629 1.00 0.00 C ATOM 1152 C ASP A 78 -11.392 19.307 13.416 1.00 0.00 C ATOM 1153 O ASP A 78 -10.836 19.461 14.503 1.00 0.00 O ATOM 1154 CB ASP A 78 -13.346 20.827 13.059 1.00 0.00 C ATOM 1155 CG ASP A 78 -13.397 21.708 14.291 1.00 0.00 C ATOM 1156 OD1 ASP A 78 -12.832 22.821 14.249 1.00 0.00 O ATOM 1157 OD2 ASP A 78 -14.001 21.284 15.298 1.00 0.00 O ATOM 0 H ASP A 78 -12.770 20.248 10.733 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.277 21.364 12.842 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.865 21.324 12.239 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.880 19.898 13.258 1.00 0.00 H new ATOM 1162 N GLU A 79 -11.575 18.113 12.859 1.00 0.00 N ATOM 1163 CA GLU A 79 -11.124 16.889 13.511 1.00 0.00 C ATOM 1164 C GLU A 79 -9.765 16.455 12.970 1.00 0.00 C ATOM 1165 O GLU A 79 -9.041 15.697 13.615 1.00 0.00 O ATOM 1166 CB GLU A 79 -12.147 15.770 13.308 1.00 0.00 C ATOM 1167 CG GLU A 79 -13.584 16.210 13.536 1.00 0.00 C ATOM 1168 CD GLU A 79 -14.417 15.148 14.227 1.00 0.00 C ATOM 1169 OE1 GLU A 79 -14.348 15.057 15.470 1.00 0.00 O ATOM 1170 OE2 GLU A 79 -15.137 14.408 13.524 1.00 0.00 O ATOM 0 H GLU A 79 -12.032 17.968 11.959 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.024 17.091 14.578 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.051 15.381 12.294 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.915 14.950 13.987 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.591 17.119 14.137 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.040 16.458 12.578 1.00 0.00 H new ATOM 1177 N GLY A 80 -9.425 16.941 11.780 1.00 0.00 N ATOM 1178 CA GLY A 80 -8.154 16.592 11.172 1.00 0.00 C ATOM 1179 C GLY A 80 -8.196 15.247 10.472 1.00 0.00 C ATOM 1180 O GLY A 80 -7.171 14.580 10.331 1.00 0.00 O ATOM 0 H GLY A 80 -10.007 17.570 11.226 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.874 17.363 10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.380 16.575 11.939 1.00 0.00 H new ATOM 1184 N LYS A 81 -9.385 14.847 10.034 1.00 0.00 N ATOM 1185 CA LYS A 81 -9.558 13.573 9.346 1.00 0.00 C ATOM 1186 C LYS A 81 -9.228 13.707 7.863 1.00 0.00 C ATOM 1187 O LYS A 81 -8.902 12.723 7.197 1.00 0.00 O ATOM 1188 CB LYS A 81 -10.992 13.068 9.517 1.00 0.00 C ATOM 1189 CG LYS A 81 -11.422 12.940 10.968 1.00 0.00 C ATOM 1190 CD LYS A 81 -10.869 11.676 11.605 1.00 0.00 C ATOM 1191 CE LYS A 81 -9.506 11.919 12.234 1.00 0.00 C ATOM 1192 NZ LYS A 81 -9.250 10.999 13.377 1.00 0.00 N ATOM 0 H LYS A 81 -10.243 15.387 10.143 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.871 12.853 9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.672 13.748 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.087 12.097 9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.080 13.810 11.528 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.510 12.932 11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.563 11.317 12.365 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.789 10.893 10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.730 11.787 11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.444 12.951 12.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.311 11.197 13.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.976 11.143 14.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.284 10.014 13.044 1.00 0.00 H new ATOM 1206 N LEU A 82 -9.314 14.930 7.350 1.00 0.00 N ATOM 1207 CA LEU A 82 -9.024 15.193 5.945 1.00 0.00 C ATOM 1208 C LEU A 82 -7.667 14.617 5.553 1.00 0.00 C ATOM 1209 O LEU A 82 -7.475 14.169 4.422 1.00 0.00 O ATOM 1210 CB LEU A 82 -9.051 16.697 5.671 1.00 0.00 C ATOM 1211 CG LEU A 82 -10.386 17.401 5.919 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -10.234 18.905 5.757 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -11.454 16.866 4.976 1.00 0.00 C ATOM 0 H LEU A 82 -9.582 15.755 7.886 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.792 14.707 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.292 17.173 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.763 16.862 4.633 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.698 17.196 6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.194 19.389 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.500 19.276 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.899 19.130 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.397 17.378 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.149 17.040 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.582 15.796 5.141 1.00 0.00 H new ATOM 1225 N ASP A 83 -6.730 14.631 6.494 1.00 0.00 N ATOM 1226 CA ASP A 83 -5.391 14.108 6.248 1.00 0.00 C ATOM 1227 C ASP A 83 -5.443 12.622 5.906 1.00 0.00 C ATOM 1228 O ASP A 83 -4.780 12.165 4.975 1.00 0.00 O ATOM 1229 CB ASP A 83 -4.500 14.332 7.471 1.00 0.00 C ATOM 1230 CG ASP A 83 -3.232 13.502 7.423 1.00 0.00 C ATOM 1231 OD1 ASP A 83 -2.250 13.955 6.798 1.00 0.00 O ATOM 1232 OD2 ASP A 83 -3.221 12.401 8.011 1.00 0.00 O ATOM 0 H ASP A 83 -6.873 14.999 7.435 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.969 14.644 5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.237 15.388 7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.058 14.085 8.374 1.00 0.00 H new ATOM 1237 N SER A 84 -6.234 11.872 6.667 1.00 0.00 N ATOM 1238 CA SER A 84 -6.369 10.437 6.448 1.00 0.00 C ATOM 1239 C SER A 84 -7.346 10.150 5.312 1.00 0.00 C ATOM 1240 O SER A 84 -7.262 9.113 4.652 1.00 0.00 O ATOM 1241 CB SER A 84 -6.841 9.746 7.729 1.00 0.00 C ATOM 1242 OG SER A 84 -6.378 8.408 7.788 1.00 0.00 O ATOM 0 H SER A 84 -6.791 12.235 7.441 1.00 0.00 H new ATOM 0 HA SER A 84 -5.391 10.043 6.171 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.480 10.297 8.597 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.930 9.759 7.773 1.00 0.00 H new ATOM 0 HG SER A 84 -6.553 8.040 8.679 1.00 0.00 H new ATOM 1248 N LEU A 85 -8.272 11.075 5.090 1.00 0.00 N ATOM 1249 CA LEU A 85 -9.267 10.924 4.033 1.00 0.00 C ATOM 1250 C LEU A 85 -8.621 11.040 2.656 1.00 0.00 C ATOM 1251 O LEU A 85 -8.979 10.315 1.728 1.00 0.00 O ATOM 1252 CB LEU A 85 -10.365 11.977 4.185 1.00 0.00 C ATOM 1253 CG LEU A 85 -11.610 11.544 4.960 1.00 0.00 C ATOM 1254 CD1 LEU A 85 -12.274 10.355 4.283 1.00 0.00 C ATOM 1255 CD2 LEU A 85 -11.250 11.206 6.400 1.00 0.00 C ATOM 0 H LEU A 85 -8.355 11.938 5.627 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.709 9.932 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.938 12.849 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.674 12.296 3.190 1.00 0.00 H new ATOM 0 HG LEU A 85 -12.317 12.374 4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.158 10.061 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.567 10.630 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.574 9.520 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.148 10.900 6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.525 10.393 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.820 12.083 6.883 1.00 0.00 H new ATOM 1267 N LEU A 86 -7.666 11.955 2.532 1.00 0.00 N ATOM 1268 CA LEU A 86 -6.968 12.166 1.269 1.00 0.00 C ATOM 1269 C LEU A 86 -5.839 11.155 1.096 1.00 0.00 C ATOM 1270 O LEU A 86 -5.409 10.873 -0.023 1.00 0.00 O ATOM 1271 CB LEU A 86 -6.409 13.588 1.203 1.00 0.00 C ATOM 1272 CG LEU A 86 -5.427 13.975 2.309 1.00 0.00 C ATOM 1273 CD1 LEU A 86 -4.005 13.614 1.910 1.00 0.00 C ATOM 1274 CD2 LEU A 86 -5.534 15.461 2.622 1.00 0.00 C ATOM 0 H LEU A 86 -7.357 12.563 3.291 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.684 12.026 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.912 13.717 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.245 14.287 1.226 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.684 13.415 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.320 13.897 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.937 12.540 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.737 14.146 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.828 15.718 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.304 16.039 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.547 15.691 2.952 1.00 0.00 H new ATOM 1286 N LYS A 87 -5.363 10.611 2.211 1.00 0.00 N ATOM 1287 CA LYS A 87 -4.286 9.628 2.184 1.00 0.00 C ATOM 1288 C LYS A 87 -4.820 8.246 1.821 1.00 0.00 C ATOM 1289 O LYS A 87 -4.266 7.561 0.960 1.00 0.00 O ATOM 1290 CB LYS A 87 -3.583 9.575 3.543 1.00 0.00 C ATOM 1291 CG LYS A 87 -2.368 10.480 3.634 1.00 0.00 C ATOM 1292 CD LYS A 87 -1.334 9.930 4.602 1.00 0.00 C ATOM 1293 CE LYS A 87 -0.637 11.045 5.367 1.00 0.00 C ATOM 1294 NZ LYS A 87 0.759 10.678 5.733 1.00 0.00 N ATOM 0 H LYS A 87 -5.706 10.834 3.145 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.568 9.932 1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.293 9.855 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.277 8.548 3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.921 10.590 2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.677 11.474 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.817 9.252 5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.595 9.347 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.627 11.951 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.201 11.273 6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.200 11.464 6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.749 9.829 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.305 10.485 4.869 1.00 0.00 H new ATOM 1308 N THR A 88 -5.900 7.840 2.483 1.00 0.00 N ATOM 1309 CA THR A 88 -6.508 6.541 2.230 1.00 0.00 C ATOM 1310 C THR A 88 -7.552 6.628 1.123 1.00 0.00 C ATOM 1311 O THR A 88 -7.665 5.730 0.290 1.00 0.00 O ATOM 1312 CB THR A 88 -7.169 5.973 3.500 1.00 0.00 C ATOM 1313 OG1 THR A 88 -8.372 6.693 3.790 1.00 0.00 O ATOM 1314 CG2 THR A 88 -6.222 6.058 4.687 1.00 0.00 C ATOM 0 H THR A 88 -6.371 8.394 3.199 1.00 0.00 H new ATOM 0 HA THR A 88 -5.706 5.873 1.917 1.00 0.00 H new ATOM 0 HB THR A 88 -7.408 4.925 3.321 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.146 7.590 4.115 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.711 5.651 5.572 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.320 5.484 4.475 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.956 7.100 4.866 1.00 0.00 H new ATOM 1322 N GLY A 89 -8.315 7.718 1.120 1.00 0.00 N ATOM 1323 CA GLY A 89 -9.340 7.903 0.110 1.00 0.00 C ATOM 1324 C GLY A 89 -10.669 7.297 0.515 1.00 0.00 C ATOM 1325 O GLY A 89 -11.560 7.121 -0.317 1.00 0.00 O ATOM 0 H GLY A 89 -8.241 8.475 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.472 8.968 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.009 7.453 -0.826 1.00 0.00 H new ATOM 1329 N LYS A 90 -10.805 6.976 1.797 1.00 0.00 N ATOM 1330 CA LYS A 90 -12.034 6.386 2.313 1.00 0.00 C ATOM 1331 C LYS A 90 -12.321 6.876 3.728 1.00 0.00 C ATOM 1332 O LYS A 90 -11.484 7.530 4.351 1.00 0.00 O ATOM 1333 CB LYS A 90 -11.935 4.859 2.301 1.00 0.00 C ATOM 1334 CG LYS A 90 -11.693 4.275 0.920 1.00 0.00 C ATOM 1335 CD LYS A 90 -10.209 4.092 0.645 1.00 0.00 C ATOM 1336 CE LYS A 90 -9.950 2.869 -0.221 1.00 0.00 C ATOM 1337 NZ LYS A 90 -10.397 1.614 0.444 1.00 0.00 N ATOM 0 H LYS A 90 -10.078 7.115 2.499 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.855 6.696 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.126 4.551 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.856 4.441 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.201 3.314 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.126 4.931 0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.817 4.980 0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.673 3.991 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.470 2.981 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.885 2.802 -0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.800 0.823 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.316 1.720 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.388 1.422 0.192 1.00 0.00 H new ATOM 1351 N LEU A 91 -13.508 6.555 4.231 1.00 0.00 N ATOM 1352 CA LEU A 91 -13.905 6.962 5.575 1.00 0.00 C ATOM 1353 C LEU A 91 -13.493 5.915 6.605 1.00 0.00 C ATOM 1354 O LEU A 91 -13.939 4.769 6.551 1.00 0.00 O ATOM 1355 CB LEU A 91 -15.417 7.186 5.635 1.00 0.00 C ATOM 1356 CG LEU A 91 -15.912 8.558 5.177 1.00 0.00 C ATOM 1357 CD1 LEU A 91 -17.399 8.512 4.865 1.00 0.00 C ATOM 1358 CD2 LEU A 91 -15.619 9.611 6.235 1.00 0.00 C ATOM 0 H LEU A 91 -14.212 6.014 3.729 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.396 7.896 5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.901 6.425 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -15.747 7.027 6.662 1.00 0.00 H new ATOM 0 HG LEU A 91 -15.379 8.830 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -17.733 9.497 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -17.582 7.787 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -17.949 8.218 5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.978 10.581 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -16.124 9.345 7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -14.544 9.663 6.409 1.00 0.00 H new ATOM 1370 N ILE A 92 -12.641 6.318 7.541 1.00 0.00 N ATOM 1371 CA ILE A 92 -12.172 5.415 8.585 1.00 0.00 C ATOM 1372 C ILE A 92 -12.924 5.646 9.891 1.00 0.00 C ATOM 1373 O ILE A 92 -13.419 6.744 10.149 1.00 0.00 O ATOM 1374 CB ILE A 92 -10.662 5.585 8.839 1.00 0.00 C ATOM 1375 CG1 ILE A 92 -9.876 5.355 7.547 1.00 0.00 C ATOM 1376 CG2 ILE A 92 -10.197 4.627 9.926 1.00 0.00 C ATOM 1377 CD1 ILE A 92 -8.401 5.661 7.674 1.00 0.00 C ATOM 0 H ILE A 92 -12.261 7.263 7.598 1.00 0.00 H new ATOM 0 HA ILE A 92 -12.362 4.401 8.234 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.478 6.605 9.177 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.998 4.317 7.237 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.301 5.975 6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.128 4.759 10.094 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -10.738 4.834 10.849 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -10.391 3.601 9.614 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.907 5.475 6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.269 6.706 7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.962 5.022 8.440 1.00 0.00 H new TER 1389 ILE A 92