USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 SER N :NH3+ -130:sc= 0.147 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00201 USER MOD Single : A 8 LYS NZ :NH3+ 146:sc= -2.57! (180deg=-5.64!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.73) USER MOD Single : A 14 GLN : amide:sc= -3.37! C(o=-3.4!,f=-9.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.275 K(o=-0.28,f=-1.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.752 USER MOD Single : A 24 ASN : amide:sc= -0.922 K(o=-0.92,f=-3.1!) USER MOD Single : A 25 ASN : amide:sc= -0.457! X(o=-0.46!,f=-0.78) USER MOD Single : A 27 SER OG : rot 180:sc= -0.225 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 165:sc= -0.781 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -69:sc= 0.786 USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00601 USER MOD Single : A 66 GLN : amide:sc= -1.28 K(o=-1.3,f=-6.7!) USER MOD Single : A 71 TYR OH : rot 30:sc= -0.22 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.0034 F(o=-0.6,f=-0.0034) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.117 F(o=-0.8,f=-0.12) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.711 -11.687 -9.646 1.00 0.00 N ATOM 2 CA SER A 1 -2.202 -12.153 -8.368 1.00 0.00 C ATOM 3 C SER A 1 -3.239 -11.904 -7.270 1.00 0.00 C ATOM 4 O SER A 1 -4.356 -11.475 -7.552 1.00 0.00 O ATOM 5 CB SER A 1 -0.882 -11.465 -8.016 1.00 0.00 C ATOM 6 OG SER A 1 0.091 -11.619 -9.046 1.00 0.00 O ATOM 0 H1 SER A 1 -2.597 -12.435 -10.359 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.719 -11.449 -9.552 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.182 -10.842 -9.943 1.00 0.00 H new ATOM 0 HA SER A 1 -2.013 -13.224 -8.445 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.061 -10.404 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.494 -11.879 -7.086 1.00 0.00 H new ATOM 0 HG SER A 1 0.919 -11.165 -8.784 1.00 0.00 H new ATOM 12 N THR A 2 -2.831 -12.185 -6.041 1.00 0.00 N ATOM 13 CA THR A 2 -3.710 -11.997 -4.900 1.00 0.00 C ATOM 14 C THR A 2 -3.127 -10.955 -3.943 1.00 0.00 C ATOM 15 O THR A 2 -3.474 -10.927 -2.763 1.00 0.00 O ATOM 16 CB THR A 2 -3.936 -13.362 -4.247 1.00 0.00 C ATOM 17 OG1 THR A 2 -2.656 -13.986 -4.294 1.00 0.00 O ATOM 18 CG2 THR A 2 -4.826 -14.275 -5.093 1.00 0.00 C ATOM 0 H THR A 2 -1.903 -12.541 -5.811 1.00 0.00 H new ATOM 0 HA THR A 2 -4.679 -11.603 -5.208 1.00 0.00 H new ATOM 0 HB THR A 2 -4.387 -13.224 -3.264 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.711 -14.877 -3.889 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.955 -15.231 -4.585 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.799 -13.805 -5.234 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.359 -14.441 -6.064 1.00 0.00 H new ATOM 26 N ILE A 3 -2.250 -10.124 -4.487 1.00 0.00 N ATOM 27 CA ILE A 3 -1.616 -9.083 -3.697 1.00 0.00 C ATOM 28 C ILE A 3 -1.920 -7.719 -4.319 1.00 0.00 C ATOM 29 O ILE A 3 -2.381 -6.808 -3.633 1.00 0.00 O ATOM 30 CB ILE A 3 -0.121 -9.367 -3.538 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.418 -8.761 -2.241 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.661 -8.889 -4.763 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.959 -7.349 -2.479 1.00 0.00 C ATOM 0 H ILE A 3 -1.964 -10.151 -5.466 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.024 -9.070 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 3 0.016 -10.446 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.374 -8.729 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.209 -9.395 -1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.721 -9.103 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.299 -9.408 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.521 -7.815 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.336 -6.941 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.767 -7.387 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.159 -6.712 -2.856 1.00 0.00 H new ATOM 45 N GLU A 4 -1.649 -7.621 -5.612 1.00 0.00 N ATOM 46 CA GLU A 4 -1.888 -6.383 -6.335 1.00 0.00 C ATOM 47 C GLU A 4 -3.373 -6.018 -6.287 1.00 0.00 C ATOM 48 O GLU A 4 -3.753 -4.900 -6.629 1.00 0.00 O ATOM 49 CB GLU A 4 -1.396 -6.488 -7.780 1.00 0.00 C ATOM 50 CG GLU A 4 -2.177 -7.557 -8.548 1.00 0.00 C ATOM 51 CD GLU A 4 -1.737 -7.609 -10.013 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.513 -7.240 -10.907 1.00 0.00 O ATOM 53 OE2 GLU A 4 -0.542 -8.053 -10.208 1.00 0.00 O ATOM 0 H GLU A 4 -1.266 -8.378 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.322 -5.587 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.507 -5.524 -8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.334 -6.731 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.022 -8.531 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.244 -7.343 -8.492 1.00 0.00 H new ATOM 61 N GLU A 5 -4.173 -6.984 -5.858 1.00 0.00 N ATOM 62 CA GLU A 5 -5.609 -6.778 -5.761 1.00 0.00 C ATOM 63 C GLU A 5 -6.008 -6.508 -4.309 1.00 0.00 C ATOM 64 O GLU A 5 -6.847 -5.648 -4.042 1.00 0.00 O ATOM 65 CB GLU A 5 -6.374 -7.976 -6.326 1.00 0.00 C ATOM 66 CG GLU A 5 -5.918 -9.279 -5.666 1.00 0.00 C ATOM 67 CD GLU A 5 -6.830 -10.442 -6.061 1.00 0.00 C ATOM 68 OE1 GLU A 5 -6.806 -10.882 -7.220 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.582 -10.892 -5.115 1.00 0.00 O ATOM 0 H GLU A 5 -3.855 -7.910 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.873 -5.906 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.443 -7.838 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.219 -8.036 -7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.892 -9.500 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.920 -9.162 -4.582 1.00 0.00 H new ATOM 77 N ARG A 6 -5.389 -7.258 -3.408 1.00 0.00 N ATOM 78 CA ARG A 6 -5.670 -7.109 -1.991 1.00 0.00 C ATOM 79 C ARG A 6 -5.001 -5.846 -1.446 1.00 0.00 C ATOM 80 O ARG A 6 -5.508 -5.223 -0.515 1.00 0.00 O ATOM 81 CB ARG A 6 -5.174 -8.322 -1.201 1.00 0.00 C ATOM 82 CG ARG A 6 -6.246 -9.412 -1.138 1.00 0.00 C ATOM 83 CD ARG A 6 -5.612 -10.798 -1.007 1.00 0.00 C ATOM 84 NE ARG A 6 -5.895 -11.600 -2.218 1.00 0.00 N ATOM 85 CZ ARG A 6 -6.982 -12.388 -2.367 1.00 0.00 C ATOM 86 NH1 ARG A 6 -7.898 -12.486 -1.381 1.00 0.00 N ATOM 87 NH2 ARG A 6 -7.134 -13.061 -3.492 1.00 0.00 N ATOM 0 H ARG A 6 -4.694 -7.970 -3.633 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.751 -7.030 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.273 -8.720 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.902 -8.016 -0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.906 -9.229 -0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.862 -9.373 -2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.535 -10.703 -0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.004 -11.305 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.228 -11.555 -2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.773 -11.963 -0.515 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.716 -13.083 -1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.437 -12.981 -4.232 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.949 -13.661 -3.621 1.00 0.00 H new ATOM 100 N VAL A 7 -3.871 -5.506 -2.050 1.00 0.00 N ATOM 101 CA VAL A 7 -3.127 -4.328 -1.637 1.00 0.00 C ATOM 102 C VAL A 7 -4.053 -3.111 -1.662 1.00 0.00 C ATOM 103 O VAL A 7 -4.106 -2.347 -0.699 1.00 0.00 O ATOM 104 CB VAL A 7 -1.889 -4.156 -2.519 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.492 -2.682 -2.625 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.724 -5.002 -2.001 1.00 0.00 C ATOM 0 H VAL A 7 -3.453 -6.026 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.768 -4.442 -0.614 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.139 -4.508 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.609 -2.588 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.314 -2.114 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.270 -2.293 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.143 -4.861 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.474 -4.695 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.010 -6.054 -2.002 1.00 0.00 H new ATOM 116 N LYS A 8 -4.760 -2.967 -2.774 1.00 0.00 N ATOM 117 CA LYS A 8 -5.681 -1.855 -2.937 1.00 0.00 C ATOM 118 C LYS A 8 -6.543 -1.724 -1.680 1.00 0.00 C ATOM 119 O LYS A 8 -6.757 -0.621 -1.181 1.00 0.00 O ATOM 120 CB LYS A 8 -6.491 -2.015 -4.225 1.00 0.00 C ATOM 121 CG LYS A 8 -5.573 -2.061 -5.448 1.00 0.00 C ATOM 122 CD LYS A 8 -4.633 -0.854 -5.474 1.00 0.00 C ATOM 123 CE LYS A 8 -4.216 -0.515 -6.907 1.00 0.00 C ATOM 124 NZ LYS A 8 -2.791 -0.120 -6.952 1.00 0.00 N ATOM 0 H LYS A 8 -4.713 -3.602 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.133 -0.919 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.083 -2.929 -4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.192 -1.186 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.989 -2.981 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.174 -2.078 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.127 0.006 -5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.748 -1.065 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.381 -1.377 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.836 0.295 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.370 -0.439 -7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.715 0.915 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.284 -0.558 -6.156 1.00 0.00 H new ATOM 137 N LYS A 9 -7.015 -2.867 -1.203 1.00 0.00 N ATOM 138 CA LYS A 9 -7.850 -2.894 -0.014 1.00 0.00 C ATOM 139 C LYS A 9 -7.044 -2.380 1.181 1.00 0.00 C ATOM 140 O LYS A 9 -7.488 -1.478 1.891 1.00 0.00 O ATOM 141 CB LYS A 9 -8.437 -4.291 0.196 1.00 0.00 C ATOM 142 CG LYS A 9 -9.879 -4.362 -0.311 1.00 0.00 C ATOM 143 CD LYS A 9 -10.309 -5.812 -0.540 1.00 0.00 C ATOM 144 CE LYS A 9 -11.780 -5.889 -0.955 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.634 -6.182 0.218 1.00 0.00 N ATOM 0 H LYS A 9 -6.835 -3.781 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.705 -2.228 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.827 -5.028 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.407 -4.546 1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.546 -3.891 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.969 -3.801 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.686 -6.262 -1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.154 -6.389 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.086 -4.946 -1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.911 -6.664 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.629 -6.231 -0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.352 -7.093 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.522 -5.429 0.926 1.00 0.00 H new ATOM 158 N ILE A 10 -5.875 -2.974 1.366 1.00 0.00 N ATOM 159 CA ILE A 10 -5.004 -2.587 2.462 1.00 0.00 C ATOM 160 C ILE A 10 -4.880 -1.063 2.496 1.00 0.00 C ATOM 161 O ILE A 10 -5.077 -0.443 3.540 1.00 0.00 O ATOM 162 CB ILE A 10 -3.660 -3.311 2.360 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.796 -4.781 2.763 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.585 -2.590 3.177 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.510 -5.553 2.463 1.00 0.00 C ATOM 0 H ILE A 10 -5.510 -3.721 0.775 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.434 -2.894 3.416 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.340 -3.291 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.026 -4.850 3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.630 -5.233 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.640 -3.125 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.464 -1.574 2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.885 -2.557 4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.634 -6.595 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.296 -5.502 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.683 -5.113 3.021 1.00 0.00 H new ATOM 177 N ILE A 11 -4.556 -0.501 1.341 1.00 0.00 N ATOM 178 CA ILE A 11 -4.404 0.939 1.225 1.00 0.00 C ATOM 179 C ILE A 11 -5.783 1.598 1.272 1.00 0.00 C ATOM 180 O ILE A 11 -5.916 2.738 1.716 1.00 0.00 O ATOM 181 CB ILE A 11 -3.596 1.294 -0.025 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.328 0.442 -0.118 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.285 2.791 -0.071 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.163 1.112 0.614 1.00 0.00 C ATOM 0 H ILE A 11 -4.394 -1.018 0.476 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.834 1.331 2.067 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.203 1.065 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.514 -0.542 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.065 0.288 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.710 3.016 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.217 3.356 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.706 3.070 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.274 0.486 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.964 2.086 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.420 1.242 1.665 1.00 0.00 H new ATOM 196 N GLY A 12 -6.777 0.854 0.809 1.00 0.00 N ATOM 197 CA GLY A 12 -8.141 1.352 0.794 1.00 0.00 C ATOM 198 C GLY A 12 -8.701 1.462 2.213 1.00 0.00 C ATOM 199 O GLY A 12 -9.609 2.252 2.467 1.00 0.00 O ATOM 0 H GLY A 12 -6.664 -0.091 0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.170 2.329 0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.769 0.686 0.202 1.00 0.00 H new ATOM 203 N GLN A 13 -8.136 0.658 3.102 1.00 0.00 N ATOM 204 CA GLN A 13 -8.567 0.656 4.490 1.00 0.00 C ATOM 205 C GLN A 13 -7.534 1.365 5.368 1.00 0.00 C ATOM 206 O GLN A 13 -7.848 2.357 6.024 1.00 0.00 O ATOM 207 CB GLN A 13 -8.819 -0.771 4.983 1.00 0.00 C ATOM 208 CG GLN A 13 -10.312 -1.014 5.217 1.00 0.00 C ATOM 209 CD GLN A 13 -10.881 -0.006 6.218 1.00 0.00 C ATOM 210 OE1 GLN A 13 -11.568 0.938 5.866 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.557 -0.259 7.483 1.00 0.00 N ATOM 0 H GLN A 13 -7.383 0.003 2.888 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.508 1.201 4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.441 -1.485 4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.269 -0.942 5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.849 -0.936 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.465 -2.027 5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.978 -1.067 7.709 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.888 0.355 8.227 1.00 0.00 H new ATOM 220 N GLN A 14 -6.323 0.828 5.352 1.00 0.00 N ATOM 221 CA GLN A 14 -5.242 1.397 6.139 1.00 0.00 C ATOM 222 C GLN A 14 -5.286 2.925 6.075 1.00 0.00 C ATOM 223 O GLN A 14 -5.497 3.586 7.091 1.00 0.00 O ATOM 224 CB GLN A 14 -3.885 0.868 5.670 1.00 0.00 C ATOM 225 CG GLN A 14 -3.705 -0.601 6.059 1.00 0.00 C ATOM 226 CD GLN A 14 -3.965 -0.808 7.553 1.00 0.00 C ATOM 227 OE1 GLN A 14 -3.468 -0.087 8.402 1.00 0.00 O ATOM 228 NE2 GLN A 14 -4.769 -1.832 7.825 1.00 0.00 N ATOM 0 H GLN A 14 -6.066 0.005 4.807 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.375 1.092 7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.803 0.974 4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.086 1.465 6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.388 -1.221 5.478 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.693 -0.925 5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.151 -2.396 7.066 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.003 -2.053 8.793 1.00 0.00 H new ATOM 237 N LEU A 15 -5.084 3.441 4.872 1.00 0.00 N ATOM 238 CA LEU A 15 -5.098 4.879 4.663 1.00 0.00 C ATOM 239 C LEU A 15 -6.473 5.432 5.044 1.00 0.00 C ATOM 240 O LEU A 15 -6.570 6.491 5.663 1.00 0.00 O ATOM 241 CB LEU A 15 -4.675 5.217 3.232 1.00 0.00 C ATOM 242 CG LEU A 15 -3.473 4.441 2.688 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.648 5.308 1.734 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.624 3.876 3.827 1.00 0.00 C ATOM 0 H LEU A 15 -4.910 2.889 4.032 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.368 5.365 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.525 5.042 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.447 6.282 3.183 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.845 3.593 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.800 4.733 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.271 5.621 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.285 6.188 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.777 3.329 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.259 4.693 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.230 3.202 4.432 1.00 0.00 H new ATOM 256 N GLY A 16 -7.501 4.691 4.659 1.00 0.00 N ATOM 257 CA GLY A 16 -8.866 5.093 4.952 1.00 0.00 C ATOM 258 C GLY A 16 -9.504 5.788 3.747 1.00 0.00 C ATOM 259 O GLY A 16 -9.616 7.013 3.720 1.00 0.00 O ATOM 0 H GLY A 16 -7.416 3.813 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.456 4.218 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.875 5.765 5.810 1.00 0.00 H new ATOM 263 N VAL A 17 -9.905 4.976 2.780 1.00 0.00 N ATOM 264 CA VAL A 17 -10.528 5.497 1.576 1.00 0.00 C ATOM 265 C VAL A 17 -11.386 4.403 0.936 1.00 0.00 C ATOM 266 O VAL A 17 -11.578 3.338 1.522 1.00 0.00 O ATOM 267 CB VAL A 17 -9.460 6.048 0.630 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.766 7.268 1.239 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.443 4.966 0.261 1.00 0.00 C ATOM 0 H VAL A 17 -9.810 3.961 2.806 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.189 6.329 1.818 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.956 6.367 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.011 7.641 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.502 8.049 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.289 6.985 2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.695 5.384 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.955 4.602 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.954 4.140 -0.233 1.00 0.00 H new ATOM 279 N LYS A 18 -11.878 4.703 -0.257 1.00 0.00 N ATOM 280 CA LYS A 18 -12.710 3.758 -0.982 1.00 0.00 C ATOM 281 C LYS A 18 -11.823 2.871 -1.858 1.00 0.00 C ATOM 282 O LYS A 18 -10.613 3.081 -1.935 1.00 0.00 O ATOM 283 CB LYS A 18 -13.802 4.494 -1.760 1.00 0.00 C ATOM 284 CG LYS A 18 -14.889 5.016 -0.818 1.00 0.00 C ATOM 285 CD LYS A 18 -14.501 6.376 -0.234 1.00 0.00 C ATOM 286 CE LYS A 18 -14.790 7.502 -1.228 1.00 0.00 C ATOM 287 NZ LYS A 18 -14.366 8.806 -0.671 1.00 0.00 N ATOM 0 H LYS A 18 -11.716 5.587 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.233 3.100 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.363 5.326 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.245 3.823 -2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.832 5.104 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.049 4.302 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.054 6.550 0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.442 6.376 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.266 7.312 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.855 7.527 -1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.569 9.560 -1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.885 8.992 0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.345 8.784 -0.473 1.00 0.00 H new ATOM 300 N GLN A 19 -12.458 1.898 -2.495 1.00 0.00 N ATOM 301 CA GLN A 19 -11.742 0.978 -3.362 1.00 0.00 C ATOM 302 C GLN A 19 -11.805 1.458 -4.813 1.00 0.00 C ATOM 303 O GLN A 19 -10.781 1.535 -5.491 1.00 0.00 O ATOM 304 CB GLN A 19 -12.293 -0.443 -3.229 1.00 0.00 C ATOM 305 CG GLN A 19 -11.209 -1.482 -3.523 1.00 0.00 C ATOM 306 CD GLN A 19 -11.590 -2.345 -4.727 1.00 0.00 C ATOM 307 OE1 GLN A 19 -12.750 -2.505 -5.068 1.00 0.00 O ATOM 308 NE2 GLN A 19 -10.550 -2.893 -5.350 1.00 0.00 N ATOM 0 H GLN A 19 -13.461 1.727 -2.428 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.697 0.957 -3.052 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.682 -0.593 -2.222 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.128 -0.579 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.261 -0.979 -3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.061 -2.116 -2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.603 -2.718 -5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.699 -3.488 -6.165 1.00 0.00 H new ATOM 317 N GLU A 20 -13.017 1.769 -5.247 1.00 0.00 N ATOM 318 CA GLU A 20 -13.228 2.240 -6.606 1.00 0.00 C ATOM 319 C GLU A 20 -12.481 3.555 -6.834 1.00 0.00 C ATOM 320 O GLU A 20 -12.153 3.899 -7.968 1.00 0.00 O ATOM 321 CB GLU A 20 -14.720 2.398 -6.907 1.00 0.00 C ATOM 322 CG GLU A 20 -15.185 1.360 -7.930 1.00 0.00 C ATOM 323 CD GLU A 20 -15.356 1.992 -9.313 1.00 0.00 C ATOM 324 OE1 GLU A 20 -14.486 2.757 -9.757 1.00 0.00 O ATOM 325 OE2 GLU A 20 -16.438 1.664 -9.933 1.00 0.00 O ATOM 0 H GLU A 20 -13.864 1.704 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.829 1.494 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.294 2.289 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.914 3.401 -7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.460 0.548 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.130 0.923 -7.606 1.00 0.00 H new ATOM 333 N GLU A 21 -12.233 4.256 -5.737 1.00 0.00 N ATOM 334 CA GLU A 21 -11.530 5.526 -5.802 1.00 0.00 C ATOM 335 C GLU A 21 -10.023 5.294 -5.920 1.00 0.00 C ATOM 336 O GLU A 21 -9.390 5.766 -6.863 1.00 0.00 O ATOM 337 CB GLU A 21 -11.858 6.397 -4.588 1.00 0.00 C ATOM 338 CG GLU A 21 -13.109 7.241 -4.840 1.00 0.00 C ATOM 339 CD GLU A 21 -12.806 8.732 -4.676 1.00 0.00 C ATOM 340 OE1 GLU A 21 -11.727 9.193 -5.075 1.00 0.00 O ATOM 341 OE2 GLU A 21 -13.741 9.420 -4.113 1.00 0.00 O ATOM 0 H GLU A 21 -12.507 3.968 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.866 6.059 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.012 5.765 -3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.014 7.049 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.484 7.051 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.896 6.948 -4.145 1.00 0.00 H new ATOM 349 N VAL A 22 -9.491 4.565 -4.949 1.00 0.00 N ATOM 350 CA VAL A 22 -8.070 4.264 -4.932 1.00 0.00 C ATOM 351 C VAL A 22 -7.699 3.503 -6.206 1.00 0.00 C ATOM 352 O VAL A 22 -8.530 2.798 -6.777 1.00 0.00 O ATOM 353 CB VAL A 22 -7.712 3.502 -3.654 1.00 0.00 C ATOM 354 CG1 VAL A 22 -7.854 1.993 -3.858 1.00 0.00 C ATOM 355 CG2 VAL A 22 -6.302 3.861 -3.179 1.00 0.00 C ATOM 0 H VAL A 22 -10.019 4.174 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.485 5.183 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.414 3.802 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.594 1.475 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.883 1.758 -4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.186 1.669 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.072 3.306 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.580 3.603 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.248 4.930 -2.975 1.00 0.00 H new ATOM 365 N THR A 23 -6.450 3.670 -6.615 1.00 0.00 N ATOM 366 CA THR A 23 -5.959 3.007 -7.811 1.00 0.00 C ATOM 367 C THR A 23 -4.469 2.687 -7.670 1.00 0.00 C ATOM 368 O THR A 23 -4.024 2.244 -6.613 1.00 0.00 O ATOM 369 CB THR A 23 -6.277 3.901 -9.012 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.286 4.923 -8.956 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.598 4.654 -8.847 1.00 0.00 C ATOM 0 H THR A 23 -5.763 4.255 -6.139 1.00 0.00 H new ATOM 0 HA THR A 23 -6.453 2.047 -7.962 1.00 0.00 H new ATOM 0 HB THR A 23 -6.315 3.294 -9.916 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.417 5.547 -9.701 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.776 5.273 -9.726 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.413 3.939 -8.736 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.548 5.287 -7.961 1.00 0.00 H new ATOM 379 N ASN A 24 -3.741 2.924 -8.751 1.00 0.00 N ATOM 380 CA ASN A 24 -2.311 2.666 -8.761 1.00 0.00 C ATOM 381 C ASN A 24 -1.558 3.996 -8.827 1.00 0.00 C ATOM 382 O ASN A 24 -0.688 4.264 -7.999 1.00 0.00 O ATOM 383 CB ASN A 24 -1.909 1.834 -9.981 1.00 0.00 C ATOM 384 CG ASN A 24 -2.802 2.156 -11.181 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.999 1.921 -11.178 1.00 0.00 O ATOM 386 ND2 ASN A 24 -2.154 2.705 -12.205 1.00 0.00 N ATOM 0 H ASN A 24 -4.114 3.292 -9.626 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.061 2.118 -7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.868 2.033 -10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.982 0.773 -9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.661 2.956 -13.054 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.150 2.875 -12.141 1.00 0.00 H new ATOM 393 N ASN A 25 -1.919 4.795 -9.820 1.00 0.00 N ATOM 394 CA ASN A 25 -1.288 6.091 -10.005 1.00 0.00 C ATOM 395 C ASN A 25 -1.765 7.047 -8.910 1.00 0.00 C ATOM 396 O ASN A 25 -1.205 8.129 -8.738 1.00 0.00 O ATOM 397 CB ASN A 25 -1.663 6.698 -11.359 1.00 0.00 C ATOM 398 CG ASN A 25 -0.634 7.742 -11.796 1.00 0.00 C ATOM 399 OD1 ASN A 25 0.143 7.540 -12.714 1.00 0.00 O ATOM 400 ND2 ASN A 25 -0.671 8.868 -11.088 1.00 0.00 N ATOM 0 H ASN A 25 -2.640 4.570 -10.505 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.208 5.950 -9.960 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.728 5.910 -12.109 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.649 7.159 -11.294 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.023 9.626 -11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.347 8.973 -10.331 1.00 0.00 H new ATOM 407 N ALA A 26 -2.795 6.613 -8.198 1.00 0.00 N ATOM 408 CA ALA A 26 -3.354 7.417 -7.124 1.00 0.00 C ATOM 409 C ALA A 26 -2.350 7.489 -5.972 1.00 0.00 C ATOM 410 O ALA A 26 -1.961 6.462 -5.417 1.00 0.00 O ATOM 411 CB ALA A 26 -4.697 6.827 -6.691 1.00 0.00 C ATOM 0 H ALA A 26 -3.257 5.715 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.540 8.436 -7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.116 7.430 -5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.383 6.825 -7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.550 5.805 -6.341 1.00 0.00 H new ATOM 417 N SER A 27 -1.959 8.712 -5.645 1.00 0.00 N ATOM 418 CA SER A 27 -1.009 8.932 -4.568 1.00 0.00 C ATOM 419 C SER A 27 -1.748 9.332 -3.290 1.00 0.00 C ATOM 420 O SER A 27 -1.852 10.516 -2.974 1.00 0.00 O ATOM 421 CB SER A 27 0.015 10.004 -4.947 1.00 0.00 C ATOM 422 OG SER A 27 0.411 9.905 -6.312 1.00 0.00 O ATOM 0 H SER A 27 -2.283 9.561 -6.107 1.00 0.00 H new ATOM 0 HA SER A 27 -0.471 8.000 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.409 10.991 -4.763 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.892 9.910 -4.307 1.00 0.00 H new ATOM 0 HG SER A 27 1.064 10.607 -6.515 1.00 0.00 H new ATOM 428 N PHE A 28 -2.244 8.322 -2.591 1.00 0.00 N ATOM 429 CA PHE A 28 -2.971 8.554 -1.354 1.00 0.00 C ATOM 430 C PHE A 28 -2.315 9.665 -0.532 1.00 0.00 C ATOM 431 O PHE A 28 -3.004 10.457 0.109 1.00 0.00 O ATOM 432 CB PHE A 28 -2.923 7.249 -0.556 1.00 0.00 C ATOM 433 CG PHE A 28 -1.532 6.617 -0.479 1.00 0.00 C ATOM 434 CD1 PHE A 28 -0.595 7.136 0.359 1.00 0.00 C ATOM 435 CD2 PHE A 28 -1.233 5.537 -1.249 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.697 6.549 0.430 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.059 4.950 -1.178 1.00 0.00 C ATOM 438 CZ PHE A 28 0.996 5.469 -0.340 1.00 0.00 C ATOM 0 H PHE A 28 -2.157 7.341 -2.857 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.994 8.859 -1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.280 7.441 0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.611 6.534 -1.007 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.833 7.994 0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.977 5.125 -1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.441 6.961 1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.297 4.092 -1.789 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.978 5.023 -0.286 1.00 0.00 H new ATOM 448 N VAL A 29 -0.991 9.689 -0.579 1.00 0.00 N ATOM 449 CA VAL A 29 -0.235 10.690 0.153 1.00 0.00 C ATOM 450 C VAL A 29 -0.967 12.032 0.079 1.00 0.00 C ATOM 451 O VAL A 29 -1.666 12.415 1.015 1.00 0.00 O ATOM 452 CB VAL A 29 1.197 10.760 -0.382 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.113 9.798 0.377 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.234 10.480 -1.886 1.00 0.00 C ATOM 0 H VAL A 29 -0.423 9.031 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.161 10.418 1.206 1.00 0.00 H new ATOM 0 HB VAL A 29 1.566 11.773 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.125 9.867 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.122 10.062 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.746 8.778 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.263 10.536 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.836 9.484 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.629 11.221 -2.409 1.00 0.00 H new ATOM 464 N GLU A 30 -0.780 12.709 -1.045 1.00 0.00 N ATOM 465 CA GLU A 30 -1.414 14.000 -1.254 1.00 0.00 C ATOM 466 C GLU A 30 -2.652 13.846 -2.140 1.00 0.00 C ATOM 467 O GLU A 30 -3.680 14.475 -1.892 1.00 0.00 O ATOM 468 CB GLU A 30 -0.429 15.003 -1.858 1.00 0.00 C ATOM 469 CG GLU A 30 -0.857 16.441 -1.557 1.00 0.00 C ATOM 470 CD GLU A 30 -1.739 16.996 -2.678 1.00 0.00 C ATOM 471 OE1 GLU A 30 -2.441 16.228 -3.352 1.00 0.00 O ATOM 472 OE2 GLU A 30 -1.677 18.275 -2.837 1.00 0.00 O ATOM 0 H GLU A 30 -0.199 12.388 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.730 14.389 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.569 14.825 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.370 14.856 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.400 16.473 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.025 17.070 -1.438 1.00 0.00 H new ATOM 480 N ASP A 31 -2.513 13.006 -3.155 1.00 0.00 N ATOM 481 CA ASP A 31 -3.608 12.761 -4.079 1.00 0.00 C ATOM 482 C ASP A 31 -4.922 12.687 -3.298 1.00 0.00 C ATOM 483 O ASP A 31 -5.933 13.243 -3.724 1.00 0.00 O ATOM 484 CB ASP A 31 -3.420 11.434 -4.816 1.00 0.00 C ATOM 485 CG ASP A 31 -4.212 11.299 -6.118 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.241 12.222 -6.946 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.826 10.175 -6.269 1.00 0.00 O ATOM 0 H ASP A 31 -1.659 12.486 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.627 13.576 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.361 11.306 -5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.706 10.621 -4.148 1.00 0.00 H new ATOM 493 N LEU A 32 -4.864 11.996 -2.169 1.00 0.00 N ATOM 494 CA LEU A 32 -6.037 11.842 -1.325 1.00 0.00 C ATOM 495 C LEU A 32 -5.774 12.500 0.031 1.00 0.00 C ATOM 496 O LEU A 32 -6.294 13.579 0.312 1.00 0.00 O ATOM 497 CB LEU A 32 -6.436 10.368 -1.226 1.00 0.00 C ATOM 498 CG LEU A 32 -6.924 9.717 -2.522 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.889 8.731 -3.064 1.00 0.00 C ATOM 500 CD2 LEU A 32 -8.292 9.061 -2.324 1.00 0.00 C ATOM 0 H LEU A 32 -4.023 11.537 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.894 12.351 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.578 9.804 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.222 10.274 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.047 10.499 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.261 8.283 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.957 9.258 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.710 7.949 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.616 8.606 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.219 8.294 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.016 9.816 -2.018 1.00 0.00 H new ATOM 512 N GLY A 33 -4.967 11.824 0.835 1.00 0.00 N ATOM 513 CA GLY A 33 -4.629 12.329 2.154 1.00 0.00 C ATOM 514 C GLY A 33 -4.187 11.194 3.080 1.00 0.00 C ATOM 515 O GLY A 33 -5.021 10.477 3.630 1.00 0.00 O ATOM 0 H GLY A 33 -4.537 10.930 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.831 13.067 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.491 12.839 2.584 1.00 0.00 H new ATOM 519 N ALA A 34 -2.876 11.066 3.223 1.00 0.00 N ATOM 520 CA ALA A 34 -2.313 10.030 4.072 1.00 0.00 C ATOM 521 C ALA A 34 -0.830 10.321 4.308 1.00 0.00 C ATOM 522 O ALA A 34 0.020 9.915 3.516 1.00 0.00 O ATOM 523 CB ALA A 34 -2.544 8.661 3.429 1.00 0.00 C ATOM 0 H ALA A 34 -2.187 11.663 2.765 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.806 10.020 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.122 7.884 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.614 8.491 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.061 8.632 2.452 1.00 0.00 H new ATOM 529 N ASP A 35 -0.563 11.022 5.400 1.00 0.00 N ATOM 530 CA ASP A 35 0.803 11.371 5.751 1.00 0.00 C ATOM 531 C ASP A 35 1.097 10.898 7.176 1.00 0.00 C ATOM 532 O ASP A 35 2.004 11.410 7.829 1.00 0.00 O ATOM 533 CB ASP A 35 1.014 12.886 5.702 1.00 0.00 C ATOM 534 CG ASP A 35 2.455 13.330 5.445 1.00 0.00 C ATOM 535 OD1 ASP A 35 3.412 12.706 5.928 1.00 0.00 O ATOM 536 OD2 ASP A 35 2.578 14.379 4.705 1.00 0.00 O ATOM 0 H ASP A 35 -1.270 11.358 6.054 1.00 0.00 H new ATOM 0 HA ASP A 35 1.468 10.891 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.377 13.301 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.681 13.315 6.647 1.00 0.00 H new ATOM 542 N SER A 36 0.311 9.926 7.616 1.00 0.00 N ATOM 543 CA SER A 36 0.476 9.378 8.951 1.00 0.00 C ATOM 544 C SER A 36 0.348 7.853 8.911 1.00 0.00 C ATOM 545 O SER A 36 1.336 7.140 9.080 1.00 0.00 O ATOM 546 CB SER A 36 -0.549 9.971 9.920 1.00 0.00 C ATOM 547 OG SER A 36 0.073 10.665 10.998 1.00 0.00 O ATOM 0 H SER A 36 -0.441 9.504 7.072 1.00 0.00 H new ATOM 0 HA SER A 36 1.471 9.643 9.309 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.205 10.654 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.176 9.173 10.317 1.00 0.00 H new ATOM 0 HG SER A 36 -0.615 11.030 11.593 1.00 0.00 H new ATOM 553 N LEU A 37 -0.876 7.400 8.687 1.00 0.00 N ATOM 554 CA LEU A 37 -1.145 5.973 8.622 1.00 0.00 C ATOM 555 C LEU A 37 -1.045 5.505 7.169 1.00 0.00 C ATOM 556 O LEU A 37 -1.628 4.487 6.800 1.00 0.00 O ATOM 557 CB LEU A 37 -2.488 5.651 9.281 1.00 0.00 C ATOM 558 CG LEU A 37 -2.868 6.513 10.486 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.203 7.224 10.254 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.876 5.684 11.772 1.00 0.00 C ATOM 0 H LEU A 37 -1.693 7.995 8.548 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.397 5.418 9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.271 5.747 8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.475 4.607 9.596 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.109 7.286 10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.449 7.830 11.126 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.126 7.866 9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.987 6.483 10.094 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.149 6.321 12.614 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.600 4.875 11.679 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.884 5.265 11.941 1.00 0.00 H new ATOM 572 N ASP A 38 -0.301 6.271 6.384 1.00 0.00 N ATOM 573 CA ASP A 38 -0.117 5.947 4.980 1.00 0.00 C ATOM 574 C ASP A 38 0.874 4.787 4.854 1.00 0.00 C ATOM 575 O ASP A 38 0.518 3.711 4.378 1.00 0.00 O ATOM 576 CB ASP A 38 0.452 7.140 4.210 1.00 0.00 C ATOM 577 CG ASP A 38 1.488 7.968 4.972 1.00 0.00 C ATOM 578 OD1 ASP A 38 1.472 8.027 6.211 1.00 0.00 O ATOM 579 OD2 ASP A 38 2.351 8.577 4.232 1.00 0.00 O ATOM 0 H ASP A 38 0.181 7.115 6.694 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.089 5.680 4.565 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.907 6.775 3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.372 7.793 3.921 1.00 0.00 H new ATOM 585 N THR A 39 2.098 5.047 5.289 1.00 0.00 N ATOM 586 CA THR A 39 3.142 4.038 5.231 1.00 0.00 C ATOM 587 C THR A 39 3.084 3.139 6.467 1.00 0.00 C ATOM 588 O THR A 39 2.960 1.921 6.348 1.00 0.00 O ATOM 589 CB THR A 39 4.484 4.756 5.065 1.00 0.00 C ATOM 590 OG1 THR A 39 4.805 4.575 3.688 1.00 0.00 O ATOM 591 CG2 THR A 39 5.620 4.052 5.809 1.00 0.00 C ATOM 0 H THR A 39 2.390 5.941 5.683 1.00 0.00 H new ATOM 0 HA THR A 39 3.003 3.374 4.378 1.00 0.00 H new ATOM 0 HB THR A 39 4.395 5.781 5.425 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.515 5.201 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.549 4.602 5.659 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.389 4.014 6.874 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.732 3.038 5.426 1.00 0.00 H new ATOM 599 N VAL A 40 3.177 3.773 7.627 1.00 0.00 N ATOM 600 CA VAL A 40 3.137 3.045 8.884 1.00 0.00 C ATOM 601 C VAL A 40 2.069 1.953 8.801 1.00 0.00 C ATOM 602 O VAL A 40 2.379 0.797 8.518 1.00 0.00 O ATOM 603 CB VAL A 40 2.910 4.017 10.044 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.447 3.273 11.299 1.00 0.00 C ATOM 605 CG2 VAL A 40 4.169 4.838 10.326 1.00 0.00 C ATOM 0 H VAL A 40 3.280 4.783 7.723 1.00 0.00 H new ATOM 0 HA VAL A 40 4.091 2.553 9.072 1.00 0.00 H new ATOM 0 HB VAL A 40 2.119 4.708 9.753 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.293 3.986 12.109 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.512 2.754 11.090 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.206 2.549 11.593 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.980 5.521 11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.989 4.169 10.587 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.436 5.411 9.438 1.00 0.00 H new ATOM 615 N GLU A 41 0.833 2.357 9.054 1.00 0.00 N ATOM 616 CA GLU A 41 -0.283 1.427 9.011 1.00 0.00 C ATOM 617 C GLU A 41 -0.119 0.455 7.842 1.00 0.00 C ATOM 618 O GLU A 41 -0.155 -0.760 8.030 1.00 0.00 O ATOM 619 CB GLU A 41 -1.615 2.173 8.922 1.00 0.00 C ATOM 620 CG GLU A 41 -2.350 2.146 10.264 1.00 0.00 C ATOM 621 CD GLU A 41 -3.843 2.425 10.078 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.288 2.687 8.950 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.548 2.362 11.156 1.00 0.00 O ATOM 0 H GLU A 41 0.579 3.316 9.290 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.288 0.852 9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.438 3.206 8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.239 1.719 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.214 1.173 10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.918 2.889 10.934 1.00 0.00 H new ATOM 631 N LEU A 42 0.058 1.026 6.659 1.00 0.00 N ATOM 632 CA LEU A 42 0.228 0.225 5.459 1.00 0.00 C ATOM 633 C LEU A 42 1.093 -0.995 5.783 1.00 0.00 C ATOM 634 O LEU A 42 0.824 -2.096 5.304 1.00 0.00 O ATOM 635 CB LEU A 42 0.776 1.081 4.316 1.00 0.00 C ATOM 636 CG LEU A 42 1.468 0.323 3.182 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.779 -0.305 3.661 1.00 0.00 C ATOM 638 CD2 LEU A 42 0.529 -0.714 2.563 1.00 0.00 C ATOM 0 H LEU A 42 0.087 2.034 6.506 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.735 -0.150 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.047 1.656 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.484 1.797 4.732 1.00 0.00 H new ATOM 0 HG LEU A 42 1.721 1.037 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.250 -0.838 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.449 0.478 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.573 -1.003 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.046 -1.239 1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.224 -1.430 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.352 -0.213 2.162 1.00 0.00 H new ATOM 650 N VAL A 43 2.113 -0.758 6.594 1.00 0.00 N ATOM 651 CA VAL A 43 3.019 -1.824 6.988 1.00 0.00 C ATOM 652 C VAL A 43 2.212 -2.981 7.580 1.00 0.00 C ATOM 653 O VAL A 43 2.066 -4.027 6.949 1.00 0.00 O ATOM 654 CB VAL A 43 4.079 -1.281 7.949 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.138 -2.343 8.254 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.722 -0.009 7.395 1.00 0.00 C ATOM 0 H VAL A 43 2.332 0.156 6.989 1.00 0.00 H new ATOM 0 HA VAL A 43 3.553 -2.211 6.120 1.00 0.00 H new ATOM 0 HB VAL A 43 3.582 -1.024 8.885 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.879 -1.931 8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.662 -3.210 8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.628 -2.645 7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.471 0.356 8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.197 -0.228 6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.956 0.754 7.253 1.00 0.00 H new ATOM 666 N MET A 44 1.708 -2.755 8.784 1.00 0.00 N ATOM 667 CA MET A 44 0.920 -3.766 9.468 1.00 0.00 C ATOM 668 C MET A 44 0.068 -4.560 8.475 1.00 0.00 C ATOM 669 O MET A 44 0.117 -5.789 8.456 1.00 0.00 O ATOM 670 CB MET A 44 0.010 -3.093 10.497 1.00 0.00 C ATOM 671 CG MET A 44 0.829 -2.479 11.635 1.00 0.00 C ATOM 672 SD MET A 44 -0.247 -1.603 12.758 1.00 0.00 S ATOM 673 CE MET A 44 0.711 -0.119 13.012 1.00 0.00 C ATOM 0 H MET A 44 1.830 -1.886 9.304 1.00 0.00 H new ATOM 0 HA MET A 44 1.601 -4.455 9.967 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.583 -2.318 10.012 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.690 -3.824 10.901 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.367 -3.261 12.170 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.577 -1.798 11.229 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.180 0.545 13.694 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.679 -0.380 13.439 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.860 0.386 12.057 1.00 0.00 H new ATOM 683 N ALA A 45 -0.692 -3.826 7.676 1.00 0.00 N ATOM 684 CA ALA A 45 -1.552 -4.447 6.684 1.00 0.00 C ATOM 685 C ALA A 45 -0.707 -5.328 5.761 1.00 0.00 C ATOM 686 O ALA A 45 -0.773 -6.554 5.836 1.00 0.00 O ATOM 687 CB ALA A 45 -2.314 -3.363 5.919 1.00 0.00 C ATOM 0 H ALA A 45 -0.730 -2.807 7.696 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.291 -5.088 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.960 -3.829 5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.922 -2.785 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.604 -2.702 5.421 1.00 0.00 H new ATOM 693 N LEU A 46 0.067 -4.668 4.912 1.00 0.00 N ATOM 694 CA LEU A 46 0.924 -5.375 3.976 1.00 0.00 C ATOM 695 C LEU A 46 1.679 -6.481 4.718 1.00 0.00 C ATOM 696 O LEU A 46 2.092 -7.469 4.112 1.00 0.00 O ATOM 697 CB LEU A 46 1.838 -4.394 3.240 1.00 0.00 C ATOM 698 CG LEU A 46 1.303 -3.843 1.916 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.278 -2.832 1.310 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.975 -4.977 0.943 1.00 0.00 C ATOM 0 H LEU A 46 0.118 -3.651 4.853 1.00 0.00 H new ATOM 0 HA LEU A 46 0.327 -5.859 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.045 -3.554 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.789 -4.890 3.047 1.00 0.00 H new ATOM 0 HG LEU A 46 0.372 -3.313 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.874 -2.456 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.419 -2.002 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.237 -3.317 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.597 -4.558 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.876 -5.556 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.218 -5.626 1.383 1.00 0.00 H new ATOM 712 N GLU A 47 1.835 -6.277 6.017 1.00 0.00 N ATOM 713 CA GLU A 47 2.533 -7.244 6.847 1.00 0.00 C ATOM 714 C GLU A 47 1.642 -8.460 7.109 1.00 0.00 C ATOM 715 O GLU A 47 2.045 -9.595 6.860 1.00 0.00 O ATOM 716 CB GLU A 47 2.993 -6.609 8.161 1.00 0.00 C ATOM 717 CG GLU A 47 4.389 -6.002 8.017 1.00 0.00 C ATOM 718 CD GLU A 47 5.396 -6.723 8.916 1.00 0.00 C ATOM 719 OE1 GLU A 47 5.957 -6.108 9.836 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.587 -7.967 8.633 1.00 0.00 O ATOM 0 H GLU A 47 1.490 -5.457 6.516 1.00 0.00 H new ATOM 0 HA GLU A 47 3.422 -7.577 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.286 -5.836 8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.999 -7.361 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.712 -6.067 6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.358 -4.944 8.276 1.00 0.00 H new ATOM 728 N GLU A 48 0.446 -8.181 7.608 1.00 0.00 N ATOM 729 CA GLU A 48 -0.505 -9.238 7.905 1.00 0.00 C ATOM 730 C GLU A 48 -0.906 -9.969 6.622 1.00 0.00 C ATOM 731 O GLU A 48 -1.137 -11.177 6.638 1.00 0.00 O ATOM 732 CB GLU A 48 -1.735 -8.682 8.626 1.00 0.00 C ATOM 733 CG GLU A 48 -1.838 -9.242 10.046 1.00 0.00 C ATOM 734 CD GLU A 48 -2.976 -10.259 10.154 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.480 -10.736 9.126 1.00 0.00 O ATOM 736 OE2 GLU A 48 -3.335 -10.551 11.358 1.00 0.00 O ATOM 0 H GLU A 48 0.115 -7.239 7.814 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.025 -9.954 8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.678 -7.594 8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.635 -8.935 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.896 -9.715 10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.006 -8.427 10.751 1.00 0.00 H new ATOM 744 N GLU A 49 -0.977 -9.205 5.542 1.00 0.00 N ATOM 745 CA GLU A 49 -1.346 -9.764 4.253 1.00 0.00 C ATOM 746 C GLU A 49 -0.612 -11.087 4.018 1.00 0.00 C ATOM 747 O GLU A 49 -1.232 -12.149 3.996 1.00 0.00 O ATOM 748 CB GLU A 49 -1.062 -8.772 3.123 1.00 0.00 C ATOM 749 CG GLU A 49 -1.841 -9.143 1.859 1.00 0.00 C ATOM 750 CD GLU A 49 -3.327 -9.333 2.168 1.00 0.00 C ATOM 751 OE1 GLU A 49 -4.011 -8.370 2.544 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.769 -10.534 2.002 1.00 0.00 O ATOM 0 H GLU A 49 -0.785 -8.203 5.533 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.418 -9.961 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.335 -7.766 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.006 -8.759 2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.719 -8.361 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.434 -10.060 1.433 1.00 0.00 H new ATOM 760 N PHE A 50 0.697 -10.978 3.849 1.00 0.00 N ATOM 761 CA PHE A 50 1.522 -12.152 3.617 1.00 0.00 C ATOM 762 C PHE A 50 2.663 -12.231 4.634 1.00 0.00 C ATOM 763 O PHE A 50 2.736 -13.175 5.418 1.00 0.00 O ATOM 764 CB PHE A 50 2.114 -12.013 2.214 1.00 0.00 C ATOM 765 CG PHE A 50 2.061 -13.298 1.386 1.00 0.00 C ATOM 766 CD1 PHE A 50 2.673 -14.425 1.839 1.00 0.00 C ATOM 767 CD2 PHE A 50 1.402 -13.315 0.196 1.00 0.00 C ATOM 768 CE1 PHE A 50 2.624 -15.618 1.071 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.353 -14.508 -0.573 1.00 0.00 C ATOM 770 CZ PHE A 50 1.965 -15.634 -0.119 1.00 0.00 C ATOM 0 H PHE A 50 1.207 -10.095 3.868 1.00 0.00 H new ATOM 0 HA PHE A 50 0.920 -13.055 3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.578 -11.227 1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.152 -11.690 2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.197 -14.412 2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.916 -12.421 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.110 -16.513 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.830 -14.521 -1.518 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.928 -16.542 -0.703 1.00 0.00 H new ATOM 780 N ASP A 51 3.524 -11.225 4.586 1.00 0.00 N ATOM 781 CA ASP A 51 4.658 -11.168 5.493 1.00 0.00 C ATOM 782 C ASP A 51 5.766 -10.321 4.865 1.00 0.00 C ATOM 783 O ASP A 51 6.544 -10.815 4.050 1.00 0.00 O ATOM 784 CB ASP A 51 5.223 -12.566 5.757 1.00 0.00 C ATOM 785 CG ASP A 51 4.817 -13.186 7.095 1.00 0.00 C ATOM 786 OD1 ASP A 51 4.008 -12.616 7.844 1.00 0.00 O ATOM 787 OD2 ASP A 51 5.374 -14.318 7.363 1.00 0.00 O ATOM 0 H ASP A 51 3.459 -10.443 3.934 1.00 0.00 H new ATOM 0 HA ASP A 51 4.317 -10.734 6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.901 -13.229 4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.311 -12.516 5.712 1.00 0.00 H new ATOM 793 N THR A 52 5.803 -9.059 5.268 1.00 0.00 N ATOM 794 CA THR A 52 6.803 -8.139 4.755 1.00 0.00 C ATOM 795 C THR A 52 6.699 -6.788 5.465 1.00 0.00 C ATOM 796 O THR A 52 5.841 -5.972 5.132 1.00 0.00 O ATOM 797 CB THR A 52 6.624 -8.043 3.238 1.00 0.00 C ATOM 798 OG1 THR A 52 7.712 -7.229 2.810 1.00 0.00 O ATOM 799 CG2 THR A 52 5.381 -7.241 2.845 1.00 0.00 C ATOM 0 H THR A 52 5.156 -8.653 5.944 1.00 0.00 H new ATOM 0 HA THR A 52 7.812 -8.500 4.956 1.00 0.00 H new ATOM 0 HB THR A 52 6.557 -9.046 2.816 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.674 -7.117 1.837 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.301 -7.203 1.759 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.493 -7.720 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.463 -6.228 3.238 1.00 0.00 H new ATOM 807 N GLU A 53 7.586 -6.593 6.431 1.00 0.00 N ATOM 808 CA GLU A 53 7.604 -5.355 7.191 1.00 0.00 C ATOM 809 C GLU A 53 8.021 -4.188 6.294 1.00 0.00 C ATOM 810 O GLU A 53 9.047 -3.553 6.532 1.00 0.00 O ATOM 811 CB GLU A 53 8.529 -5.471 8.405 1.00 0.00 C ATOM 812 CG GLU A 53 9.875 -6.082 8.012 1.00 0.00 C ATOM 813 CD GLU A 53 11.034 -5.185 8.453 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.869 -4.365 9.368 1.00 0.00 O ATOM 815 OE2 GLU A 53 12.137 -5.364 7.809 1.00 0.00 O ATOM 0 H GLU A 53 8.297 -7.272 6.704 1.00 0.00 H new ATOM 0 HA GLU A 53 6.596 -5.163 7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.687 -4.485 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.056 -6.087 9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.979 -7.067 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.912 -6.225 6.932 1.00 0.00 H new ATOM 823 N ILE A 54 7.203 -3.940 5.281 1.00 0.00 N ATOM 824 CA ILE A 54 7.474 -2.860 4.348 1.00 0.00 C ATOM 825 C ILE A 54 7.926 -1.622 5.124 1.00 0.00 C ATOM 826 O ILE A 54 7.111 -0.943 5.747 1.00 0.00 O ATOM 827 CB ILE A 54 6.261 -2.613 3.448 1.00 0.00 C ATOM 828 CG1 ILE A 54 6.461 -1.362 2.590 1.00 0.00 C ATOM 829 CG2 ILE A 54 4.973 -2.543 4.271 1.00 0.00 C ATOM 830 CD1 ILE A 54 7.928 -1.201 2.189 1.00 0.00 C ATOM 0 H ILE A 54 6.353 -4.469 5.086 1.00 0.00 H new ATOM 0 HA ILE A 54 8.290 -3.131 3.678 1.00 0.00 H new ATOM 0 HB ILE A 54 6.163 -3.459 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.841 -1.427 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.133 -0.482 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.126 -2.367 3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.829 -3.484 4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.045 -1.728 4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.042 -0.304 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.542 -1.112 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.246 -2.072 1.616 1.00 0.00 H new ATOM 842 N PRO A 55 9.259 -1.358 5.060 1.00 0.00 N ATOM 843 CA PRO A 55 9.829 -0.214 5.749 1.00 0.00 C ATOM 844 C PRO A 55 9.502 1.088 5.015 1.00 0.00 C ATOM 845 O PRO A 55 9.401 1.105 3.789 1.00 0.00 O ATOM 846 CB PRO A 55 11.321 -0.498 5.816 1.00 0.00 C ATOM 847 CG PRO A 55 11.591 -1.558 4.761 1.00 0.00 C ATOM 848 CD PRO A 55 10.254 -2.140 4.332 1.00 0.00 C ATOM 0 HA PRO A 55 9.417 -0.078 6.749 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.900 0.405 5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.607 -0.851 6.807 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.110 -1.123 3.907 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.237 -2.340 5.162 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.113 -2.056 3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.185 -3.199 4.581 1.00 0.00 H new ATOM 856 N ASP A 56 9.344 2.147 5.796 1.00 0.00 N ATOM 857 CA ASP A 56 9.029 3.450 5.235 1.00 0.00 C ATOM 858 C ASP A 56 10.077 3.813 4.182 1.00 0.00 C ATOM 859 O ASP A 56 9.735 4.262 3.089 1.00 0.00 O ATOM 860 CB ASP A 56 9.048 4.533 6.315 1.00 0.00 C ATOM 861 CG ASP A 56 10.237 4.467 7.277 1.00 0.00 C ATOM 862 OD1 ASP A 56 11.360 4.862 6.932 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.970 3.978 8.441 1.00 0.00 O ATOM 0 H ASP A 56 9.428 2.129 6.812 1.00 0.00 H new ATOM 0 HA ASP A 56 8.033 3.397 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.046 5.509 5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.127 4.464 6.894 1.00 0.00 H new ATOM 869 N GLU A 57 11.334 3.606 4.548 1.00 0.00 N ATOM 870 CA GLU A 57 12.434 3.906 3.648 1.00 0.00 C ATOM 871 C GLU A 57 12.078 3.497 2.217 1.00 0.00 C ATOM 872 O GLU A 57 12.564 4.092 1.258 1.00 0.00 O ATOM 873 CB GLU A 57 13.723 3.222 4.109 1.00 0.00 C ATOM 874 CG GLU A 57 13.616 1.702 3.969 1.00 0.00 C ATOM 875 CD GLU A 57 14.422 0.993 5.059 1.00 0.00 C ATOM 876 OE1 GLU A 57 14.137 1.168 6.253 1.00 0.00 O ATOM 877 OE2 GLU A 57 15.374 0.237 4.629 1.00 0.00 O ATOM 0 H GLU A 57 11.614 3.234 5.455 1.00 0.00 H new ATOM 0 HA GLU A 57 12.607 4.982 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.564 3.587 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.926 3.482 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.570 1.400 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.978 1.397 2.987 1.00 0.00 H new ATOM 885 N GLU A 58 11.230 2.482 2.120 1.00 0.00 N ATOM 886 CA GLU A 58 10.803 1.986 0.823 1.00 0.00 C ATOM 887 C GLU A 58 9.314 2.268 0.612 1.00 0.00 C ATOM 888 O GLU A 58 8.840 2.303 -0.523 1.00 0.00 O ATOM 889 CB GLU A 58 11.104 0.493 0.682 1.00 0.00 C ATOM 890 CG GLU A 58 12.151 0.245 -0.406 1.00 0.00 C ATOM 891 CD GLU A 58 12.792 -1.135 -0.245 1.00 0.00 C ATOM 892 OE1 GLU A 58 13.490 -1.383 0.749 1.00 0.00 O ATOM 893 OE2 GLU A 58 12.542 -1.966 -1.200 1.00 0.00 O ATOM 0 H GLU A 58 10.828 1.991 2.918 1.00 0.00 H new ATOM 0 HA GLU A 58 11.365 2.511 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.462 0.099 1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.188 -0.045 0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.685 0.321 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.921 1.015 -0.358 1.00 0.00 H new ATOM 901 N ALA A 59 8.617 2.462 1.722 1.00 0.00 N ATOM 902 CA ALA A 59 7.192 2.740 1.672 1.00 0.00 C ATOM 903 C ALA A 59 6.976 4.246 1.513 1.00 0.00 C ATOM 904 O ALA A 59 5.839 4.708 1.434 1.00 0.00 O ATOM 905 CB ALA A 59 6.519 2.184 2.929 1.00 0.00 C ATOM 0 H ALA A 59 9.013 2.432 2.662 1.00 0.00 H new ATOM 0 HA ALA A 59 6.735 2.249 0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.450 2.392 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.677 1.107 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.950 2.656 3.812 1.00 0.00 H new ATOM 911 N GLU A 60 8.085 4.969 1.469 1.00 0.00 N ATOM 912 CA GLU A 60 8.031 6.414 1.320 1.00 0.00 C ATOM 913 C GLU A 60 8.412 6.815 -0.107 1.00 0.00 C ATOM 914 O GLU A 60 7.896 7.797 -0.638 1.00 0.00 O ATOM 915 CB GLU A 60 8.934 7.105 2.344 1.00 0.00 C ATOM 916 CG GLU A 60 8.372 8.473 2.735 1.00 0.00 C ATOM 917 CD GLU A 60 7.517 8.374 3.999 1.00 0.00 C ATOM 918 OE1 GLU A 60 6.762 7.404 4.163 1.00 0.00 O ATOM 919 OE2 GLU A 60 7.657 9.351 4.830 1.00 0.00 O ATOM 0 H GLU A 60 9.026 4.582 1.534 1.00 0.00 H new ATOM 0 HA GLU A 60 7.008 6.741 1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.029 6.479 3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.935 7.224 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.191 9.173 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.772 8.871 1.916 1.00 0.00 H new ATOM 927 N LYS A 61 9.312 6.034 -0.686 1.00 0.00 N ATOM 928 CA LYS A 61 9.769 6.296 -2.040 1.00 0.00 C ATOM 929 C LYS A 61 8.697 5.840 -3.032 1.00 0.00 C ATOM 930 O LYS A 61 8.848 6.016 -4.240 1.00 0.00 O ATOM 931 CB LYS A 61 11.138 5.656 -2.278 1.00 0.00 C ATOM 932 CG LYS A 61 10.993 4.272 -2.914 1.00 0.00 C ATOM 933 CD LYS A 61 12.310 3.496 -2.845 1.00 0.00 C ATOM 934 CE LYS A 61 12.439 2.529 -4.023 1.00 0.00 C ATOM 935 NZ LYS A 61 13.075 3.201 -5.179 1.00 0.00 N ATOM 0 H LYS A 61 9.737 5.220 -0.242 1.00 0.00 H new ATOM 0 HA LYS A 61 9.913 7.366 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.735 6.297 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.673 5.571 -1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.210 3.713 -2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.682 4.376 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.148 4.193 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.361 2.942 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.031 1.663 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.454 2.159 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.155 2.530 -5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.494 4.013 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.023 3.532 -4.909 1.00 0.00 H new ATOM 948 N ILE A 62 7.637 5.263 -2.485 1.00 0.00 N ATOM 949 CA ILE A 62 6.540 4.780 -3.307 1.00 0.00 C ATOM 950 C ILE A 62 5.625 5.952 -3.669 1.00 0.00 C ATOM 951 O ILE A 62 5.390 6.220 -4.846 1.00 0.00 O ATOM 952 CB ILE A 62 5.815 3.628 -2.609 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.075 4.119 -1.363 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.781 2.486 -2.289 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.531 2.943 -0.550 1.00 0.00 C ATOM 0 H ILE A 62 7.514 5.119 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 62 6.918 4.369 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 62 5.064 3.233 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.749 4.712 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.254 4.773 -1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.240 1.680 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.222 2.112 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.571 2.851 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.010 3.319 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.838 2.366 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.357 2.304 -0.237 1.00 0.00 H new ATOM 967 N THR A 63 5.135 6.620 -2.635 1.00 0.00 N ATOM 968 CA THR A 63 4.252 7.758 -2.829 1.00 0.00 C ATOM 969 C THR A 63 2.963 7.319 -3.526 1.00 0.00 C ATOM 970 O THR A 63 2.147 8.154 -3.913 1.00 0.00 O ATOM 971 CB THR A 63 5.025 8.830 -3.600 1.00 0.00 C ATOM 972 OG1 THR A 63 4.780 8.517 -4.969 1.00 0.00 O ATOM 973 CG2 THR A 63 6.540 8.682 -3.449 1.00 0.00 C ATOM 0 H THR A 63 5.333 6.395 -1.660 1.00 0.00 H new ATOM 0 HA THR A 63 3.940 8.184 -1.876 1.00 0.00 H new ATOM 0 HB THR A 63 4.721 9.817 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.239 7.683 -5.201 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.041 9.467 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.811 8.765 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.850 7.708 -3.827 1.00 0.00 H new ATOM 981 N THR A 64 2.819 6.009 -3.665 1.00 0.00 N ATOM 982 CA THR A 64 1.643 5.449 -4.308 1.00 0.00 C ATOM 983 C THR A 64 1.452 3.989 -3.893 1.00 0.00 C ATOM 984 O THR A 64 2.251 3.447 -3.129 1.00 0.00 O ATOM 985 CB THR A 64 1.796 5.636 -5.819 1.00 0.00 C ATOM 986 OG1 THR A 64 3.125 5.197 -6.090 1.00 0.00 O ATOM 987 CG2 THR A 64 1.799 7.110 -6.229 1.00 0.00 C ATOM 0 H THR A 64 3.498 5.319 -3.343 1.00 0.00 H new ATOM 0 HA THR A 64 0.736 5.965 -3.992 1.00 0.00 H new ATOM 0 HB THR A 64 0.986 5.118 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.309 5.283 -7.049 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.910 7.187 -7.311 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.860 7.574 -5.927 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.629 7.621 -5.742 1.00 0.00 H new ATOM 995 N VAL A 65 0.390 3.392 -4.413 1.00 0.00 N ATOM 996 CA VAL A 65 0.084 2.005 -4.106 1.00 0.00 C ATOM 997 C VAL A 65 0.869 1.093 -5.051 1.00 0.00 C ATOM 998 O VAL A 65 1.381 0.055 -4.635 1.00 0.00 O ATOM 999 CB VAL A 65 -1.427 1.776 -4.172 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -1.783 0.349 -3.751 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.175 2.802 -3.319 1.00 0.00 C ATOM 0 H VAL A 65 -0.270 3.844 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 65 0.392 1.762 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.741 1.909 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.863 0.212 -3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.292 -0.360 -4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.448 0.177 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.247 2.617 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.854 2.716 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.958 3.806 -3.684 1.00 0.00 H new ATOM 1011 N GLN A 66 0.940 1.514 -6.305 1.00 0.00 N ATOM 1012 CA GLN A 66 1.654 0.748 -7.313 1.00 0.00 C ATOM 1013 C GLN A 66 3.050 0.377 -6.807 1.00 0.00 C ATOM 1014 O GLN A 66 3.423 -0.795 -6.809 1.00 0.00 O ATOM 1015 CB GLN A 66 1.737 1.520 -8.632 1.00 0.00 C ATOM 1016 CG GLN A 66 2.389 0.670 -9.724 1.00 0.00 C ATOM 1017 CD GLN A 66 2.004 -0.804 -9.575 1.00 0.00 C ATOM 1018 OE1 GLN A 66 2.806 -1.647 -9.208 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.736 -1.065 -9.880 1.00 0.00 N ATOM 0 H GLN A 66 0.515 2.376 -6.646 1.00 0.00 H new ATOM 0 HA GLN A 66 1.100 -0.172 -7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.737 1.818 -8.947 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.311 2.435 -8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.081 1.033 -10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.473 0.774 -9.672 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.118 -0.311 -10.181 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.381 -2.019 -9.813 1.00 0.00 H new ATOM 1028 N ALA A 67 3.782 1.397 -6.384 1.00 0.00 N ATOM 1029 CA ALA A 67 5.128 1.193 -5.876 1.00 0.00 C ATOM 1030 C ALA A 67 5.078 0.240 -4.680 1.00 0.00 C ATOM 1031 O ALA A 67 6.101 -0.310 -4.276 1.00 0.00 O ATOM 1032 CB ALA A 67 5.750 2.544 -5.520 1.00 0.00 C ATOM 0 H ALA A 67 3.468 2.368 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 67 5.760 0.734 -6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.760 2.391 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.790 3.172 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.145 3.033 -4.757 1.00 0.00 H new ATOM 1038 N ALA A 68 3.876 0.075 -4.146 1.00 0.00 N ATOM 1039 CA ALA A 68 3.679 -0.801 -3.004 1.00 0.00 C ATOM 1040 C ALA A 68 3.401 -2.222 -3.499 1.00 0.00 C ATOM 1041 O ALA A 68 3.685 -3.194 -2.799 1.00 0.00 O ATOM 1042 CB ALA A 68 2.547 -0.256 -2.131 1.00 0.00 C ATOM 0 H ALA A 68 3.029 0.533 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 68 4.577 -0.836 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.399 -0.914 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.806 0.743 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.628 -0.209 -2.715 1.00 0.00 H new ATOM 1048 N ILE A 69 2.850 -2.299 -4.701 1.00 0.00 N ATOM 1049 CA ILE A 69 2.531 -3.585 -5.297 1.00 0.00 C ATOM 1050 C ILE A 69 3.751 -4.105 -6.060 1.00 0.00 C ATOM 1051 O ILE A 69 4.292 -5.159 -5.728 1.00 0.00 O ATOM 1052 CB ILE A 69 1.268 -3.479 -6.155 1.00 0.00 C ATOM 1053 CG1 ILE A 69 0.052 -3.119 -5.299 1.00 0.00 C ATOM 1054 CG2 ILE A 69 1.044 -4.760 -6.960 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -1.112 -2.647 -6.172 1.00 0.00 C ATOM 0 H ILE A 69 2.616 -1.491 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 69 2.302 -4.318 -4.523 1.00 0.00 H new ATOM 0 HB ILE A 69 1.408 -2.669 -6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.255 -3.986 -4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.321 -2.336 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.140 -4.659 -7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.898 -4.932 -7.615 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.934 -5.603 -6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.964 -2.397 -5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.809 -1.765 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.394 -3.441 -6.863 1.00 0.00 H new ATOM 1067 N ASP A 70 4.148 -3.343 -7.068 1.00 0.00 N ATOM 1068 CA ASP A 70 5.294 -3.714 -7.881 1.00 0.00 C ATOM 1069 C ASP A 70 6.477 -4.041 -6.967 1.00 0.00 C ATOM 1070 O ASP A 70 7.395 -4.756 -7.366 1.00 0.00 O ATOM 1071 CB ASP A 70 5.711 -2.566 -8.802 1.00 0.00 C ATOM 1072 CG ASP A 70 5.642 -2.879 -10.298 1.00 0.00 C ATOM 1073 OD1 ASP A 70 5.013 -3.863 -10.716 1.00 0.00 O ATOM 1074 OD2 ASP A 70 6.278 -2.053 -11.058 1.00 0.00 O ATOM 0 H ASP A 70 3.697 -2.470 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 70 5.014 -4.577 -8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.074 -1.706 -8.596 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.731 -2.274 -8.554 1.00 0.00 H new ATOM 1080 N TYR A 71 6.417 -3.502 -5.758 1.00 0.00 N ATOM 1081 CA TYR A 71 7.471 -3.727 -4.785 1.00 0.00 C ATOM 1082 C TYR A 71 7.320 -5.096 -4.119 1.00 0.00 C ATOM 1083 O TYR A 71 8.290 -5.843 -3.998 1.00 0.00 O ATOM 1084 CB TYR A 71 7.307 -2.637 -3.725 1.00 0.00 C ATOM 1085 CG TYR A 71 7.846 -3.023 -2.346 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.132 -3.507 -2.219 1.00 0.00 C ATOM 1087 CD2 TYR A 71 7.047 -2.887 -1.229 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.640 -3.871 -0.921 1.00 0.00 C ATOM 1089 CE2 TYR A 71 7.554 -3.250 0.068 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.826 -3.724 0.158 1.00 0.00 C ATOM 1091 OH TYR A 71 9.305 -4.068 1.384 1.00 0.00 O ATOM 0 H TYR A 71 5.654 -2.910 -5.431 1.00 0.00 H new ATOM 0 HA TYR A 71 8.449 -3.699 -5.266 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.817 -1.735 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.249 -2.389 -3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.758 -3.613 -3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.041 -2.508 -1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.644 -4.252 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.939 -3.148 0.950 1.00 0.00 H new ATOM 0 HH TYR A 71 10.275 -3.929 1.407 1.00 0.00 H new ATOM 1101 N ILE A 72 6.095 -5.385 -3.705 1.00 0.00 N ATOM 1102 CA ILE A 72 5.804 -6.651 -3.054 1.00 0.00 C ATOM 1103 C ILE A 72 5.794 -7.767 -4.101 1.00 0.00 C ATOM 1104 O ILE A 72 5.802 -8.947 -3.755 1.00 0.00 O ATOM 1105 CB ILE A 72 4.507 -6.553 -2.248 1.00 0.00 C ATOM 1106 CG1 ILE A 72 4.668 -5.597 -1.064 1.00 0.00 C ATOM 1107 CG2 ILE A 72 4.031 -7.939 -1.805 1.00 0.00 C ATOM 1108 CD1 ILE A 72 5.867 -5.992 -0.200 1.00 0.00 C ATOM 0 H ILE A 72 5.292 -4.764 -3.808 1.00 0.00 H new ATOM 0 HA ILE A 72 6.583 -6.897 -2.332 1.00 0.00 H new ATOM 0 HB ILE A 72 3.734 -6.138 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.798 -4.578 -1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.761 -5.605 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.108 -7.841 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.851 -8.560 -2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.795 -8.404 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.959 -5.297 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.722 -7.002 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.775 -5.959 -0.801 1.00 0.00 H new ATOM 1120 N ASN A 73 5.779 -7.354 -5.360 1.00 0.00 N ATOM 1121 CA ASN A 73 5.768 -8.304 -6.459 1.00 0.00 C ATOM 1122 C ASN A 73 7.192 -8.473 -6.994 1.00 0.00 C ATOM 1123 O ASN A 73 7.562 -9.553 -7.453 1.00 0.00 O ATOM 1124 CB ASN A 73 4.887 -7.808 -7.607 1.00 0.00 C ATOM 1125 CG ASN A 73 3.581 -8.602 -7.677 1.00 0.00 C ATOM 1126 OD1 ASN A 73 2.565 -8.029 -7.037 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 3.500 -9.663 -8.274 1.00 0.00 N flip ATOM 0 H ASN A 73 5.774 -6.374 -5.643 1.00 0.00 H new ATOM 0 HA ASN A 73 5.374 -9.249 -6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.666 -6.749 -7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.425 -7.902 -8.550 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.319 -10.047 -8.745 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.613 -10.166 -8.303 1.00 0.00 H new ATOM 1134 N GLY A 74 7.951 -7.390 -6.918 1.00 0.00 N ATOM 1135 CA GLY A 74 9.325 -7.405 -7.390 1.00 0.00 C ATOM 1136 C GLY A 74 10.274 -7.906 -6.299 1.00 0.00 C ATOM 1137 O GLY A 74 11.488 -7.939 -6.493 1.00 0.00 O ATOM 0 H GLY A 74 7.641 -6.496 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.405 -8.045 -8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.618 -6.402 -7.699 1.00 0.00 H new ATOM 1141 N HIS A 75 9.684 -8.285 -5.174 1.00 0.00 N ATOM 1142 CA HIS A 75 10.461 -8.783 -4.052 1.00 0.00 C ATOM 1143 C HIS A 75 10.263 -10.295 -3.922 1.00 0.00 C ATOM 1144 O HIS A 75 11.203 -11.066 -4.106 1.00 0.00 O ATOM 1145 CB HIS A 75 10.110 -8.026 -2.770 1.00 0.00 C ATOM 1146 CG HIS A 75 10.986 -8.377 -1.591 1.00 0.00 C ATOM 1147 ND1 HIS A 75 11.343 -9.588 -1.075 1.00 0.00 N flip ATOM 1148 CD2 HIS A 75 11.600 -7.420 -0.802 1.00 0.00 C flip ATOM 1149 CE1 HIS A 75 12.134 -9.382 -0.029 1.00 0.00 C flip ATOM 1150 NE2 HIS A 75 12.294 -8.038 0.142 1.00 0.00 N flip ATOM 0 H HIS A 75 8.677 -8.257 -5.016 1.00 0.00 H new ATOM 0 HA HIS A 75 11.521 -8.605 -4.231 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.186 -6.955 -2.960 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.071 -8.231 -2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.526 -6.351 -0.934 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.578 -10.151 0.585 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.850 -7.588 0.869 1.00 0.00 H new ATOM 1158 N GLN A 76 9.033 -10.673 -3.605 1.00 0.00 N ATOM 1159 CA GLN A 76 8.700 -12.079 -3.448 1.00 0.00 C ATOM 1160 C GLN A 76 8.984 -12.840 -4.745 1.00 0.00 C ATOM 1161 O GLN A 76 8.414 -12.528 -5.789 1.00 0.00 O ATOM 1162 CB GLN A 76 7.241 -12.251 -3.019 1.00 0.00 C ATOM 1163 CG GLN A 76 7.108 -13.343 -1.956 1.00 0.00 C ATOM 1164 CD GLN A 76 5.661 -13.466 -1.474 1.00 0.00 C ATOM 1165 OE1 GLN A 76 4.846 -14.170 -2.047 1.00 0.00 O ATOM 1166 NE2 GLN A 76 5.389 -12.743 -0.391 1.00 0.00 N ATOM 0 H GLN A 76 8.255 -10.031 -3.453 1.00 0.00 H new ATOM 0 HA GLN A 76 9.328 -12.496 -2.661 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.860 -11.308 -2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.631 -12.506 -3.886 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.441 -14.297 -2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.758 -13.115 -1.112 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.119 -12.175 0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.451 -12.757 0.009 1.00 0.00 H new ATOM 1175 N ALA A 77 9.865 -13.823 -4.635 1.00 0.00 N ATOM 1176 CA ALA A 77 10.232 -14.631 -5.785 1.00 0.00 C ATOM 1177 C ALA A 77 10.335 -16.097 -5.361 1.00 0.00 C ATOM 1178 O ALA A 77 11.193 -16.830 -5.852 1.00 0.00 O ATOM 1179 CB ALA A 77 11.537 -14.104 -6.385 1.00 0.00 C ATOM 0 H ALA A 77 10.336 -14.078 -3.767 1.00 0.00 H new ATOM 0 HA ALA A 77 9.468 -14.565 -6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.812 -14.711 -7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.402 -13.069 -6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.329 -14.157 -5.637 1.00 0.00 H new TER 1185 ALA A 77